A0A087YAK9_POEFO Loading...

Propionyl-CoA carboxylase alpha chain, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YAK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 711 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	33.7	Very low	248 Å²	248	146.1 Å²	146.1	100%	1.222	74%	0.741	S	S	*	*				0	70.9	0	-74.2	-172.5	-173.7	0	0	111
2	A	35.6	Very low	33.8	Very low	82 Å²	82	150.6 Å²	150.6	68%	0.678	74%	0.742	S	S	*	*			trans	-155.7	-16.9	169.9	0	0	0	0	0	113
3	V	34.7	Very low	33.5	Very low	129 Å²	129	147.8 Å²	147.8	78%	0.782	73%	0.731	S	S	*	*	S	Bend	trans	-97.8	-12.6	-176.2	-166.5	0	0	0	0	113.6
4	Y	31.5	Very low	33.2	Very low	215 Å²	215	144.6 Å²	144.6	84%	0.843	72%	0.718	S	S	*	*	S	Bend	trans	-92	-0.5	-178.8	-111.8	-91.5	0	0	0	115.3
5	R	33.3	Very low	32.9	Very low	228 Å²	228	146 Å²	146	86%	0.86	72%	0.718	S	S	*	*	S	Bend	trans	-100.6	-10.2	178.9	-92.8	-173.9	177.4	-173.3	-0.7	114.8
6	Q	32	Very low	32.8	Very low	151 Å²	151	141.4 Å²	141.4	71%	0.706	71%	0.711	S	S	*	*	S	Bend	trans	-92	-24.2	178.9	-81.8	-178.8	-22.7	0	0	113.9
7	A	29.8	Very low	32.7	Very low	67 Å²	67	139.9 Å²	139.9	55%	0.554	71%	0.71	S	S	*	*	H	α-helix	trans	-72.1	-29.9	177.6	0	0	0	0	0	113.4	F9	A7-F9 VanDerWaalsContact C-N 3.31Å; A7-F9 PolarHBondContact O-N 3.33Å
8	V	35.3	Very low	32.5	Very low	95 Å²	95	142.3 Å²	142.3	58%	0.576	72%	0.715	S	S	*	*	H	α-helix	trans	-78.2	-16.3	-178.2	-176.1	0	0	0	0	112.6
9	F	33.5	Very low	32.4	Very low	153 Å²	153	139.8 Å²	139.8	67%	0.671	71%	0.712	S	S	*	*	H	α-helix	trans	-90.3	-30.9	-179.7	-132.3	-92.8	0	0	0	112.9	A7 L13	A7-F9 VanDerWaalsContact C-N 3.31Å; A7-F9 PolarHBondContact O-N 3.33Å; F9-L13 HydrophobicContact CD1-CD1 4.41Å; F9-L13 PolarHBondContact O-N 3.45Å
10	L	31.3	Very low	32	Very low	123 Å²	123	136.3 Å²	136.3	64%	0.644	71%	0.705	S	S	*	*	H	α-helix	trans	-75.7	-36.9	177.3	-108	89.4	0	0	0	113	R12 L13 L14	L10-R12 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 2.78Å; L10-L14 PolarHBondContact O-N 2.9Å; L10-L14 VanDerWaalsContact O-N 3.16Å
11	D	31.7	Very low	31.7	Very low	116 Å²	116	134.9 Å²	134.9	62%	0.62	71%	0.705	S	S	*	*	H	α-helix	trans	-72.5	-27	177.9	-89.3	-20.9	0	0	0	113.2	F15	D11-F15 PolarHBondContact O-N 3.33Å
12	R	33.9	Very low	30.9	Very low	200 Å²	200	129.8 Å²	129.8	76%	0.755	69%	0.692	S	S	*	*	H	α-helix	trans	-73	-29	173.1	-86.6	-174.8	167.3	-166.3	-3.6	113.2	L10 A16	L10-R12 PolarHBondContact O-N 2.99Å; R12-A16 PolarHBondContact O-N 3.16Å
13	L	31	Very low	30.5	Very low	114 Å²	114	134 Å²	134	60%	0.597	70%	0.698	S	S	*	*	H	α-helix	trans	-78.1	-31	173.8	-112.3	112.7	0	0	0	112.4	F9 L10 V17	F9-L13 HydrophobicContact CD1-CD1 4.41Å; F9-L13 PolarHBondContact O-N 3.45Å; L10-L13 PolarHBondContact O-N 2.78Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å
14	L	28.9	Very low	30.1	Very low	104 Å²	104	132.4 Å²	132.4	55%	0.545	70%	0.698	S	S	.	*	H	α-helix	trans	-77.7	-24.2	177.4	-85.3	156.1	0	0	0	113.8	L10	L10-L14 PolarHBondContact O-N 2.9Å; L10-L14 VanDerWaalsContact O-N 3.16Å
15	F	29.1	Very low	29.9	Very low	165 Å²	165	133.4 Å²	133.4	72%	0.724	70%	0.7	S	S	*	*	H	α-helix	trans	-79.9	-33.4	173.1	-123.5	-91.8	0	0	0	113.1	D11 V17 K18	D11-F15 PolarHBondContact O-N 3.33Å; F15-V17 PolarHBondContact O-N 2.8Å; F15-K18 PolarHBondContact O-N 3.33Å
16	A	31	Very low	29.6	Very low	72 Å²	72	128.5 Å²	128.5	60%	0.595	70%	0.7	S	S	*	*	H	α-helix	trans	-68.5	-17.6	176.8	0	0	0	0	0	113.7	R12	R12-A16 PolarHBondContact O-N 3.16Å
17	V	31.4	Very low	29.3	Very low	116 Å²	116	127.1 Å²	127.1	70%	0.703	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-8.2	179.9	179.7	0	0	0	0	112.6	L13 F15	L13-V17 WeakPolarHBondContact O-CG2 3.31Å; F15-V17 PolarHBondContact O-N 2.8Å
18	K	28.4	Very low	29.1	Very low	184 Å²	184	128.7 Å²	128.7	80%	0.8	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-4.5	-178.5	-80.9	-172.7	175.5	-178.9	0	115.8	F15	F15-K18 PolarHBondContact O-N 3.33Å
19	S	30.9	Very low	28.7	Very low	94 Å²	94	126.7 Å²	126.7	66%	0.657	72%	0.717	S	S	*	*	S	Bend	trans	-125.3	36.3	176.6	63	0	0	0	0	112.8
20	A	25	Very low	28.3	Very low	70 Å²	70	125.8 Å²	125.8	58%	0.579	72%	0.724	S	S	*	*	S	Bend	trans	-89.4	126.5	162.8	0	0	0	0	0	108	C22	A20-C22 PolarHBondContact O-N 3.01Å
21	P	26	Very low	28.3	Very low	106 Å²	106	128.7 Å²	128.7	69%	0.688	73%	0.734	S	S	*	*			trans	-58.7	135.1	172.4	23.7	-29.9	0	0	0	109	Q23	P21-Q23 PolarHBondContact O-N 3.45Å
22	C	24.4	Very low	28.4	Very low	142 Å²	142	133.8 Å²	133.8	96%	0.959	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	42.3	-176.4	-149.1	0	0	0	0	112.7	A20	A20-C22 PolarHBondContact O-N 3.01Å
23	Q	27.7	Very low	28.8	Very low	171 Å²	171	129.7 Å²	129.7	80%	0.799	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	-5.2	176.1	-96.9	178.4	-19.9	0	0	113.7	P21 R25	P21-Q23 PolarHBondContact O-N 3.45Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; Q23-R25 PolarHBondContact O-N 3.25Å
24	A	27	Very low	30	Very low	94 Å²	94	128.2 Å²	128.2	78%	0.777	73%	0.734	S	S	*	*	S	Bend	trans	-89.1	9.6	178.2	0	0	0	0	0	114.7
25	R	26.5	Very low	31.6	Very low	236 Å²	236	125.1 Å²	125.1	89%	0.891	72%	0.715	S	S	*	*	S	Bend	trans	-140.6	65.8	178.1	-76.6	-174.4	176.4	176.6	-0.7	111.4	Q23	Q23-R25 VanDerWaalsContact C-N 3.34Å; Q23-R25 PolarHBondContact O-N 3.25Å
26	C	26	Very low	32.8	Very low	126 Å²	126	120.7 Å²	120.7	85%	0.851	70%	0.704	S	S	*	*			trans	177.8	44.9	148.5	-98.6	0	0	0	0	110.7
27	C	26.1	Very low	34.1	Very low	122 Å²	122	117.7 Å²	117.7	82%	0.824	68%	0.679	S	S	*	*			trans	-108.4	57	159.1	-67.2	0	0	0	0	108.5	G29	C27-G29 PolarHBondContact O-N 3.27Å
28	A	26.5	Very low	35.2	Very low	99 Å²	99	117.8 Å²	117.8	82%	0.818	68%	0.68	S	S	*	*			trans	-73.7	63.5	145	0	0	0	0	0	106.3	T30	A28-T30 PolarHBondContact O-N 3.36Å
29	G	26.9	Very low	36.6	Very low	54 Å²	54	111.6 Å²	111.6	56%	0.557	66%	0.658	S	S	*	*			trans	-58.9	114.5	165.6	0	0	0	0	0	104.8	C27 H31	C27-G29 PolarHBondContact O-N 3.27Å; G29-H31 PolarHBondContact O-N 2.9Å
30	T	25.6	Very low	38	Very low	133 Å²	133	109.7 Å²	109.7	82%	0.816	64%	0.644	S	S	*	*			trans	-58.6	93.2	167.3	47.6	0	0	0	0	106.3	A28 R32	A28-T30 PolarHBondContact O-N 3.36Å; T30-R32 PolarHBondContact O-N 2.8Å
31	H	30.4	Very low	39.7	Very low	184 Å²	184	112.3 Å²	112.3	85%	0.852	66%	0.655	S	S	*	*			trans	-58.3	98.2	164.3	-88	-69.4	0	0	0	105.4	G29	G29-H31 PolarHBondContact O-N 2.9Å
32	R	34.8	Very low	41.6	Very low	224 Å²	224	114.5 Å²	114.5	85%	0.845	66%	0.661	S	S	*	*			trans	-56.1	131.9	161.2	-85.5	-176.1	174.2	-178.4	-0.9	105.6	T30 Q34	T30-R32 PolarHBondContact O-N 2.8Å; R32-Q34 PolarHBondContact O-N 2.84Å
33	P	42.3	Very low	44.4	Very low	114 Å²	114	109.5 Å²	109.5	74%	0.74	62%	0.624	S	S	*	*			trans	-55.6	119.9	175.4	22.4	-30.7	0	0	0	107.8	Y35	P33-Y35 PolarHBondContact O-N 3.11Å; P33-Y35 VanDerWaalsContact O-N 3.11Å
34	Q	55.6	Low	47.1	Very low	83 Å²	83	109.5 Å²	109.5	39%	0.388	62%	0.621	S	S	.	*	S	Bend	trans	-61.7	-16.9	-179.1	-169.2	172.4	8.6	0	0	111.9	R32	R32-Q34 PolarHBondContact O-N 2.84Å
35	Y	61.8	Low	50.1	Low	38 Å²	38	107.2 Å²	107.2	15%	0.149	60%	0.598	C	S	.	*			trans	-121.3	137.4	179.9	-56.8	-74.2	0	0	0	111.5	P33 T37 E345 G349 D351 R413	P33-Y35 PolarHBondContact O-N 3.11Å; P33-Y35 VanDerWaalsContact O-N 3.11Å; Y35-T37 VanDerWaalsContact C-N 3.26Å; Y35-E345 HydrophobicContact CE1-CB 4.12Å; Y35-E345 PolarHBondContact OH-OE2 3.37Å; Y35-G349 CarbonylContact C-O 3.53Å; Y35-G349 WeakPolarHBondContact CA-O 3.49Å; Y35-D351 HydrophobicContact CD1-CB 3.74Å; Y35-D351 VanDerWaalsContact CD1-N 3.32Å; Y35-D351 HydrophobicContact CD2-CB 4.48Å; Y35-D351 HydrophobicContact CE1-CB 3.8Å; Y35-D351 HydrophobicContact CG-CB 4.08Å; Y35-R413 PolarHBondContact OH-NH1 2.54Å; Y35-R413 VanDerWaalsContact OH-NH1 3.07Å
36	S	55	Low	53.4	Low	72 Å²	72	96.3 Å²	96.3	50%	0.503	56%	0.557	S	S	.	*	S	Bend	trans	-76.4	-12	174.1	60.4	0	0	0	0	112.8	T38 G349	S36-T38 PolarHBondContact O-N 3.17Å; S36-G349 PolarHBondContact N-O 3.1Å; S36-G349 PolarHBondContact OG-O 2.78Å; S36-G349 VanDerWaalsContact OG-O 3.09Å
37	T	57.2	Low	56.8	Low	9 Å²	9	96.8 Å²	96.8	6%	0.055	55%	0.547	C	S	.	.			trans	-75.6	109.4	177.4	48.4	0	0	0	0	111.3	Y35 T39 L350 E354	Y35-T37 VanDerWaalsContact C-N 3.26Å; T37-T39 PolarHBondContact O-N 3.07Å; T37-L350 HydrophobicContact CG2-CD2 3.83Å; T37-E354 PolarHBondContact OG1-OE2 3.19Å
38	T	54.8	Low	60.2	Low	118 Å²	118	92.4 Å²	92.4	72%	0.724	51%	0.513	S	S	*	.			trans	-78.3	107.9	165.7	49.4	0	0	0	0	109.1	S36 S40	S36-T38 PolarHBondContact O-N 3.17Å; T38-S40 PolarHBondContact O-N 2.79Å; T38-S40 VanDerWaalsContact O-N 3.17Å
39	T	57.9	Low	63.7	Low	55 Å²	55	87.7 Å²	87.7	34%	0.337	47%	0.474	S	S	.	.			trans	-61.3	116.6	172.5	-40.1	0	0	0	0	108.5	T37 P41	T37-T39 PolarHBondContact O-N 3.07Å; T39-P41 VanDerWaalsContact O-CD 3.31Å; T39-P41 WeakPolarHBondContact O-CD 3.27Å
40	S	61.2	Low	67.1	Low	54 Å²	54	85.1 Å²	85.1	38%	0.378	45%	0.448	S	S	.	.			trans	-77.5	117	177.7	179.8	0	0	0	0	108.9	T38 N42 E43	T38-S40 PolarHBondContact O-N 2.79Å; T38-S40 VanDerWaalsContact O-N 3.17Å; S40-N42 PolarHBondContact O-N 3.2Å; S40-E43 PolarHBondContact O-N 3.08Å; S40-E43 VanDerWaalsContact O-N 3.08Å
41	P	60.5	Low	70.6	Confident	125 Å²	125	78.8 Å²	78.8	81%	0.812	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-17	-178.7	-21.3	32.3	0	0	0	113.8	T39	T39-P41 VanDerWaalsContact O-CD 3.31Å; T39-P41 WeakPolarHBondContact O-CD 3.27Å
42	N	66.3	Low	73.8	Confident	151 Å²	151	70 Å²	70	81%	0.807	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-5.4	-177.6	-67.8	-18.7	0	0	0	113.5	S40 K44	S40-N42 PolarHBondContact O-N 3.2Å; N42-K44 PolarHBondContact O-N 2.81Å
43	E	81.4	Confident	76.8	Confident	37 Å²	37	59.5 Å²	59.5	17%	0.173	33%	0.329	C	S	.	.	S	Bend	trans	-78	117.9	178	-165.8	169.2	145.5	0	0	109.4	S40 T45 R358 Y363	S40-E43 PolarHBondContact O-N 3.08Å; S40-E43 VanDerWaalsContact O-N 3.08Å; E43-T45 PolarHBondContact O-N 3.06Å; E43-R358 IonicContact OE1-CZ 3.44Å; E43-R358 IonicContact OE1-NE 2.79Å; E43-R358 PolarHBondContact OE1-NE 2.87Å; E43-R358 IonicContact OE1-NH2 3.19Å; E43-R358 PolarHBondContact OE1-NH2 3.03Å; E43-R358 IonicContact OE2-CZ 3.48Å; E43-R358 IonicContact OE2-NE 3.54Å; E43-R358 IonicContact OE2-NH2 2.78Å; E43-R358 PolarHBondContact OE2-NH2 3.38Å; E43-Y363 HydrophobicContact CG-CD1 4.2Å; E43-Y363 HydrophobicContact CG-CD2 4.1Å; E43-Y363 HydrophobicContact CG-CE1 3.61Å; E43-Y363 HydrophobicContact CG-CE2 3.48Å; E43-Y363 VanDerWaalsContact CG-CE2 3.48Å; E43-Y363 HydrophobicContact CG-CG 4.43Å; E43-Y363 WeakPolarHBondContact CG-OH 3.38Å; E43-Y363 WeakPolarHBondContact OE1-CD2 3.35Å; E43-Y363 VanDerWaalsContact OE1-CE2 3.29Å; E43-Y363 WeakPolarHBondContact OE1-CE2 3.48Å; E43-Y363 VanDerWaalsContact OE1-CG 3.22Å
44	K	85.5	Confident	79.5	Confident	171 Å²	171	56.2 Å²	56.2	74%	0.743	30%	0.302	S	S	*	.			trans	-64.8	119.8	178.6	-70.9	-174.5	179.1	-177.1	0	109.8	N42 Y363	N42-K44 PolarHBondContact O-N 2.81Å; K44-Y363 PolarHBondContact N-OH 2.94Å; K44-Y363 WeakPolarHBondContact O-CE2 3.46Å; K44-Y363 PolarHBondContact O-OH 2.79Å
45	T	88.9	Confident	81.4	Confident	47 Å²	47	52.8 Å²	52.8	29%	0.288	29%	0.288	S	S	.	.			trans	-97.5	-175.9	176.1	52.2	0	0	0	0	111.5	E43 M68 I70 K361	E43-T45 PolarHBondContact O-N 3.06Å; T45-M68 HydrophobicContact CG2-CE 4.08Å; T45-I70 HydrophobicContact CG2-CD1 4.38Å; T45-K361 VanDerWaalsContact O-CE 3.3Å; T45-K361 WeakPolarHBondContact O-CE 3.32Å; T45-K361 PolarHBondContact O-NZ 3.35Å; T45-K361 VanDerWaalsContact O-NZ 3.12Å
46	F	96.5	Very high	83.1	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.026	28%	0.284	C	S	.	.			trans	-75	147.3	162.4	-61.7	-80.3	0	0	0	109	I49 I70 Q120 A121 T145 I357 A360 K361	F46-I49 HydrophobicContact CB-CD1 4.22Å; F46-I49 HydrophobicContact CB-CG1 3.93Å; F46-I49 HydrophobicContact CD2-CD1 4.04Å; F46-I49 HydrophobicContact CD2-CG1 4.4Å; F46-I49 HydrophobicContact CG-CD1 4.45Å; F46-I49 HydrophobicContact CG-CG1 4.34Å; F46-I70 HydrophobicContact CB-CG2 4.48Å; F46-I70 WeakPolarHBondContact O-CG1 3.34Å; F46-I70 WeakPolarHBondContact O-CG2 3.42Å; F46-Q120 HydrophobicContact CD1-CB 3.94Å; F46-A121 HydrophobicContact CD1-CB 3.83Å; F46-A121 HydrophobicContact CD2-CB 4.25Å; F46-A121 HydrophobicContact CE1-CB 3.76Å; F46-A121 HydrophobicContact CE2-CB 4.17Å; F46-A121 HydrophobicContact CG-CB 4.08Å; F46-A121 HydrophobicContact CZ-CB 3.93Å; F46-T145 HydrophobicContact CE1-CG2 4.49Å; F46-T145 HydrophobicContact CZ-CG2 4.02Å; F46-I357 HydrophobicContact CD2-CG2 4.01Å; F46-I357 HydrophobicContact CE2-CG2 4.29Å; F46-A360 HydrophobicContact CE2-CB 4.25Å; F46-A360 HydrophobicContact CZ-CB 4.34Å; F46-K361 HydrophobicContact CD1-CD 4.05Å; F46-K361 HydrophobicContact CD2-CD 4.25Å; F46-K361 HydrophobicContact CE1-CD 3.74Å; F46-K361 HydrophobicContact CE2-CB 3.86Å; F46-K361 HydrophobicContact CE2-CD 3.97Å; F46-K361 HydrophobicContact CE2-CG 4.44Å; F46-K361 HydrophobicContact CG-CD 4.3Å; F46-K361 HydrophobicContact CZ-CB 4.03Å; F46-K361 HydrophobicContact CZ-CD 3.7Å; F46-K361 HydrophobicContact CZ-CG 4.48Å
47	E	97	Very high	85.1	Confident	137 Å²	137	48.1 Å²	48.1	64%	0.64	26%	0.26	S	S	*	.	S	Bend	trans	-78.6	-38.3	175.6	-67.2	169.4	173.3	0	0	110.7	Q71 Q120	E47-Q71 VanDerWaalsContact O-CB 3.3Å; E47-Q71 WeakPolarHBondContact O-CB 3.43Å; E47-Q71 PolarHBondContact O-N 2.93Å; E47-Q120 PolarHBondContact OE2-NE2 3.38Å
48	K	98.4	Very high	87.1	Confident	29 Å²	29	47.7 Å²	47.7	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.5	-176.8	-168.3	179.4	-61.5	-174.2	0	112	Q71 V73 E91 T117 Q120	K48-Q71 CarbonylContact C-O 3.41Å; K48-Q71 VanDerWaalsContact CA-O 3.31Å; K48-Q71 WeakPolarHBondContact CA-O 3.26Å; K48-Q71 HydrophobicContact CB-CB 4.18Å; K48-Q71 VanDerWaalsContact CE-OE1 3.3Å; K48-Q71 HydrophobicContact CG-CB 4.04Å; K48-V73 HydrophobicContact CD-CG2 3.58Å; K48-V73 HydrophobicContact CG-CG2 3.73Å; K48-E91 WeakPolarHBondContact CE-OE1 3.25Å; K48-E91 IonicContact NZ-OE1 3.02Å; K48-E91 PolarHBondContact NZ-OE1 3.41Å; K48-E91 IonicContact NZ-OE2 3.01Å; K48-T117 WeakPolarHBondContact CD-O 3.46Å; K48-T117 PolarHBondContact NZ-O 3.32Å; K48-Q120 PolarHBondContact O-N 2.9Å
49	I	98.8	Very high	89.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.6	177	-65.2	175.4	0	0	0	109.2	F46 I70 Q71 T72 V73 A121 H123 I147 I357	F46-I49 HydrophobicContact CB-CD1 4.22Å; F46-I49 HydrophobicContact CB-CG1 3.93Å; F46-I49 HydrophobicContact CD2-CD1 4.04Å; F46-I49 HydrophobicContact CD2-CG1 4.4Å; F46-I49 HydrophobicContact CG-CD1 4.45Å; F46-I49 HydrophobicContact CG-CG1 4.34Å; I49-I70 HydrophobicContact CB-CG2 4.24Å; I49-I70 HydrophobicContact CD1-CD1 3.96Å; I49-I70 HydrophobicContact CD1-CG2 3.79Å; I49-I70 HydrophobicContact CG1-CG2 3.72Å; I49-Q71 PolarHBondContact N-O 3.04Å; I49-T72 WeakPolarHBondContact O-CA 3.44Å; I49-V73 PolarHBondContact O-N 2.85Å; I49-A121 WeakPolarHBondContact CA-O 3.49Å; I49-A121 HydrophobicContact CG1-CB 4.26Å; I49-H123 HydrophobicContact CG2-CB 4.15Å; I49-I147 HydrophobicContact CD1-CD1 3.77Å; I49-I147 HydrophobicContact CG1-CD1 4.26Å; I49-I147 HydrophobicContact CG2-CD1 3.92Å; I49-I357 HydrophobicContact CD1-CD1 4.22Å; I49-I357 HydrophobicContact CD1-CG1 4.18Å; I49-I357 HydrophobicContact CD1-CG2 4.16Å
50	L	98.8	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.1	168.3	-179.5	147.4	0	0	0	110.1	A52 V73 V75 I110 A113 I114 A119 A121 V122 H123	L50-A52 HydrophobicContact CD2-CB 3.98Å; L50-V73 WeakPolarHBondContact CA-O 3.34Å; L50-V73 HydrophobicContact CB-CB 4.07Å; L50-V73 HydrophobicContact CD1-CB 4.29Å; L50-V73 HydrophobicContact CD1-CG1 3.93Å; L50-V73 HydrophobicContact CG-CB 4.2Å; L50-V73 HydrophobicContact CG-CG1 4.3Å; L50-V75 HydrophobicContact CD1-CG1 3.87Å; L50-V75 HydrophobicContact CD2-CG1 3.99Å; L50-V75 HydrophobicContact CG-CG1 4.13Å; L50-I110 HydrophobicContact CD2-CG2 4.24Å; L50-A113 HydrophobicContact CD1-CB 4.15Å; L50-I114 HydrophobicContact CD1-CG1 3.8Å; L50-I114 HydrophobicContact CD2-CG1 4.33Å; L50-I114 HydrophobicContact CG-CG1 4.46Å; L50-A119 HydrophobicContact CB-CB 3.65Å; L50-A121 PolarHBondContact N-O 2.95Å; L50-V122 HydrophobicContact CB-CG2 4.36Å; L50-V122 HydrophobicContact CD2-CG1 4.16Å; L50-V122 HydrophobicContact CD2-CG2 4.23Å; L50-V122 CarbonylContact O-C 3.53Å; L50-V122 VanDerWaalsContact O-CA 3.25Å; L50-V122 WeakPolarHBondContact O-CA 3.5Å; L50-H123 PolarHBondContact O-N 2.98Å
51	I	98.8	Very high	92.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	104.6	178.6	-60.3	81.7	0	0	0	107.5	N53 A58 V61 M62 T72 V73 H123	I51-N53 HydrophobicContact CG2-CB 4.31Å; I51-N53 PolarHBondContact O-N 3.09Å; I51-A58 HydrophobicContact CG2-CB 3.91Å; I51-V61 HydrophobicContact CG1-CB 4.32Å; I51-V61 HydrophobicContact CG1-CG1 3.78Å; I51-M62 HydrophobicContact CB-CE 4.08Å; I51-M62 HydrophobicContact CD1-CE 3.9Å; I51-M62 HydrophobicContact CD1-CG 3.77Å; I51-M62 HydrophobicContact CG1-CE 4.15Å; I51-M62 HydrophobicContact CG1-CG 4.1Å; I51-T72 HydrophobicContact CD1-CG2 4.13Å; I51-V73 WeakPolarHBondContact CD1-O 3.29Å; I51-V73 PolarHBondContact N-O 2.85Å; I51-H123 WeakPolarHBondContact CA-O 3.27Å
52	A	98.3	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.			trans	-83.7	51.4	-177.8	0	0	0	0	0	111.5	L50 I110 V122 H123 F135	L50-A52 HydrophobicContact CD2-CB 3.98Å; A52-I110 HydrophobicContact CB-CG2 4.45Å; A52-V122 HydrophobicContact CB-CG1 3.61Å; A52-H123 PolarHBondContact N-O 3.41Å; A52-F135 HydrophobicContact CB-CZ 4.46Å
53	N	98.3	Very high	96.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	13%	0.134	C	C	.	.			trans	-157.1	-179.8	-178.6	-144.8	-45.7	0	0	0	110.6	I51 I57 P124 Y126 F128	I51-N53 HydrophobicContact CG2-CB 4.31Å; I51-N53 PolarHBondContact O-N 3.09Å; N53-I57 HydrophobicContact CB-CG2 4.13Å; N53-I57 WeakPolarHBondContact OD1-CG2 3.39Å; N53-P124 PolarHBondContact ND2-O 3.37Å; N53-Y126 PolarHBondContact ND2-N 3.12Å; N53-Y126 PolarHBondContact ND2-O 3.3Å; N53-F128 VanDerWaalsContact OD1-CD2 3.28Å; N53-F128 WeakPolarHBondContact OD1-CD2 3.35Å; N53-F128 WeakPolarHBondContact OD1-CE2 3.26Å
54	R	97.5	Very high	97	Very high	45 Å²	45	27.4 Å²	27.4	17%	0.17	13%	0.128	C	C	.	.			trans	-133.7	179.6	-179.3	66.8	174.9	-61	-79.7	0.9	112	I57 D80 Y104 F128 Y428	R54-I57 VanDerWaalsContact O-CG2 3.28Å; R54-I57 WeakPolarHBondContact O-CG2 3.4Å; R54-D80 IonicContact CZ-OD1 3.04Å; R54-D80 IonicContact CZ-OD2 3.79Å; R54-D80 IonicContact NE-OD1 3.73Å; R54-D80 IonicContact NE-OD2 2.65Å; R54-D80 PolarHBondContact NE-OD2 2.91Å; R54-D80 IonicContact NH2-OD1 3.35Å; R54-D80 PolarHBondContact NH2-OD1 2.82Å; R54-D80 IonicContact NH2-OD2 3.25Å; R54-Y104 HydrophobicContact CB-CE1 3.74Å; R54-Y104 HydrophobicContact CB-CE2 4.3Å; R54-Y104 WeakPolarHBondContact CB-OH 3.29Å; R54-Y104 HydrophobicContact CG-CE1 4.38Å; R54-Y104 HydrophobicContact CG-CE2 4.33Å; R54-F128 HydrophobicContact CG-CE2 4.09Å; R54-F128 HydrophobicContact CG-CZ 4.2Å; R54-Y428 VanDerWaalsContact CZ-CG 3.43Å; R54-Y428 VanDerWaalsContact NH1-CB 3.34Å
55	G	96.3	Very high	97.5	Very high	10 Å²	10	19.2 Å²	19.2	10%	0.103	9%	0.092	C	C	.	.	H	α-helix	trans	63.6	-149.1	168.2	0	0	0	0	0	112.8	I57 A58 C59	G55-I57 VanDerWaalsContact C-N 3.31Å; G55-I57 PolarHBondContact O-N 2.81Å; G55-A58 PolarHBondContact O-N 3.06Å; G55-C59 PolarHBondContact O-N 2.75Å
56	E	97.3	Very high	97.9	Very high	11 Å²	11	21.9 Å²	21.9	5%	0.051	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-40.5	-171.1	74.5	83.7	174.2	0	0	112.4	A58 C59 R60 Y126 S416 M431 K434	E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 3.11Å; E56-C59 CarbonylContact O-C 3.54Å; E56-C59 WeakPolarHBondContact O-CA 3.01Å; E56-C59 WeakPolarHBondContact O-CB 3.38Å; E56-C59 PolarHBondContact O-N 3.02Å; E56-C59 VanDerWaalsContact O-N 3.12Å; E56-R60 WeakPolarHBondContact O-CB 3.22Å; E56-R60 PolarHBondContact O-N 2.75Å; E56-Y126 PolarHBondContact OE1-OH 2.88Å; E56-S416 VanDerWaalsContact CB-C 3.49Å; E56-M431 HydrophobicContact CG-CE 3.84Å; E56-K434 VanDerWaalsContact CD-CE 3.4Å; E56-K434 VanDerWaalsContact CD-NZ 3.28Å; E56-K434 VanDerWaalsContact OE1-CD 3.27Å; E56-K434 WeakPolarHBondContact OE1-CD 3.47Å; E56-K434 WeakPolarHBondContact OE1-CE 3.02Å; E56-K434 IonicContact OE1-NZ 3.12Å; E56-K434 PolarHBondContact OE1-NZ 2.76Å; E56-K434 WeakPolarHBondContact OE2-CE 3.43Å; E56-K434 IonicContact OE2-NZ 3.7Å; E56-K434 PolarHBondContact OE2-NZ 3.24Å; E56-K434 VanDerWaalsContact OE2-NZ 3.14Å
57	I	98.1	Very high	97.7	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-34.2	-177.8	-176.9	56.3	0	0	0	112.2	N53 R54 G55 R60 V61 Y126 L337	N53-I57 HydrophobicContact CB-CG2 4.13Å; N53-I57 WeakPolarHBondContact OD1-CG2 3.39Å; R54-I57 VanDerWaalsContact O-CG2 3.28Å; R54-I57 WeakPolarHBondContact O-CG2 3.4Å; G55-I57 VanDerWaalsContact C-N 3.31Å; G55-I57 PolarHBondContact O-N 2.81Å; I57-R60 HydrophobicContact CD1-CB 4.34Å; I57-R60 HydrophobicContact CD1-CG 4.28Å; I57-R60 PolarHBondContact O-N 3.36Å; I57-V61 HydrophobicContact CD1-CG2 4.09Å; I57-V61 HydrophobicContact CG1-CG2 4.47Å; I57-V61 VanDerWaalsContact O-CG2 3.31Å; I57-V61 WeakPolarHBondContact O-CG2 3.48Å; I57-V61 PolarHBondContact O-N 3.47Å; I57-Y126 HydrophobicContact CB-CD1 4.16Å; I57-Y126 HydrophobicContact CB-CE1 3.44Å; I57-Y126 VanDerWaalsContact CB-CE1 3.44Å; I57-Y126 HydrophobicContact CB-CE2 4.27Å; I57-Y126 VanDerWaalsContact CB-CZ 3.48Å; I57-Y126 WeakPolarHBondContact CB-OH 3.35Å; I57-Y126 HydrophobicContact CD1-CD1 3.84Å; I57-Y126 HydrophobicContact CD1-CE1 3.59Å; I57-Y126 HydrophobicContact CG1-CD1 3.71Å; I57-Y126 HydrophobicContact CG1-CE1 3.46Å; I57-Y126 VanDerWaalsContact CG1-CE1 3.46Å; I57-Y126 HydrophobicContact CG1-CG 4.44Å; I57-Y126 HydrophobicContact CG2-CE1 4.09Å; I57-Y126 HydrophobicContact CG2-CE2 4.02Å; I57-L337 HydrophobicContact CD1-CD2 4.21Å
58	A	98.5	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-44.6	174.8	0	0	0	0	0	110.7	I51 G55 E56 V61 M62 H85	I51-A58 HydrophobicContact CG2-CB 3.91Å; G55-A58 PolarHBondContact O-N 3.06Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 3.11Å; A58-V61 PolarHBondContact O-N 3.06Å; A58-M62 HydrophobicContact CB-CE 4.35Å; A58-M62 WeakPolarHBondContact O-CB 3.32Å; A58-M62 WeakPolarHBondContact O-CG 3.36Å; A58-M62 PolarHBondContact O-N 3.18Å; A58-H85 HydrophobicContact CB-CB 3.6Å
59	C	98.5	Very high	97.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-45.2	172.5	-65.9	0	0	0	0	112.1	G55 E56 V61 M62 K63 M88	G55-C59 PolarHBondContact O-N 2.75Å; E56-C59 CarbonylContact O-C 3.54Å; E56-C59 WeakPolarHBondContact O-CA 3.01Å; E56-C59 WeakPolarHBondContact O-CB 3.38Å; E56-C59 PolarHBondContact O-N 3.02Å; E56-C59 VanDerWaalsContact O-N 3.12Å; C59-V61 VanDerWaalsContact C-N 3.34Å; C59-V61 PolarHBondContact O-N 2.91Å; C59-M62 PolarHBondContact O-N 3.26Å; C59-K63 WeakPolarHBondContact O-CB 3.4Å; C59-K63 VanDerWaalsContact O-CG 3.3Å; C59-K63 WeakPolarHBondContact O-CG 3.45Å; C59-K63 PolarHBondContact O-N 3.44Å; C59-M88 HydrophobicContact CB-CE 3.82Å; C59-M88 HydrophobicContact CB-SD 4.12Å
60	R	98.3	Very high	97.4	Very high	9 Å²	9	22.6 Å²	22.6	3%	0.034	12%	0.12	C	C	.	.	H	α-helix	trans	-57.3	-45.5	178.5	170	63.7	-168.4	89.8	-8	111.5	E56 I57 T64 H341 E345 D351 R413	E56-R60 WeakPolarHBondContact O-CB 3.22Å; E56-R60 PolarHBondContact O-N 2.75Å; I57-R60 HydrophobicContact CD1-CB 4.34Å; I57-R60 HydrophobicContact CD1-CG 4.28Å; I57-R60 PolarHBondContact O-N 3.36Å; R60-T64 PolarHBondContact NH1-OG1 3.31Å; R60-H341 PolarHBondContact NE-NE2 2.65Å; R60-H341 VanDerWaalsContact NE-NE2 3.15Å; R60-E345 IonicContact CZ-OE1 2.87Å; R60-E345 IonicContact CZ-OE2 3.97Å; R60-E345 IonicContact NE-OE2 2.65Å; R60-E345 VanDerWaalsContact NH2-CD 3.28Å; R60-E345 IonicContact NH2-OE1 3.98Å; R60-E345 PolarHBondContact NH2-OE1 2.71Å; R60-E345 IonicContact NH2-OE2 3.45Å; R60-E345 PolarHBondContact NH2-OE2 3.45Å; R60-E345 VanDerWaalsContact NH2-OE2 3.12Å; R60-D351 IonicContact CZ-OD1 3.45Å; R60-D351 IonicContact NH1-OD1 3.54Å; R60-D351 IonicContact NH2-OD1 2.84Å; R60-D351 PolarHBondContact NH2-OD1 2.78Å; R60-R413 VanDerWaalsContact NE-NH2 3.12Å
61	V	98.6	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.9	-45.5	178.4	173.7	0	0	0	0	110.9	I51 I57 A58 C59 K63 T64 C65 H123 V353	I51-V61 HydrophobicContact CG1-CB 4.32Å; I51-V61 HydrophobicContact CG1-CG1 3.78Å; I57-V61 HydrophobicContact CD1-CG2 4.09Å; I57-V61 HydrophobicContact CG1-CG2 4.47Å; I57-V61 VanDerWaalsContact O-CG2 3.31Å; I57-V61 WeakPolarHBondContact O-CG2 3.48Å; I57-V61 PolarHBondContact O-N 3.47Å; A58-V61 PolarHBondContact O-N 3.06Å; C59-V61 VanDerWaalsContact C-N 3.34Å; C59-V61 PolarHBondContact O-N 2.91Å; V61-K63 VanDerWaalsContact C-N 3.32Å; V61-K63 PolarHBondContact O-N 3.29Å; V61-T64 PolarHBondContact O-N 3.45Å; V61-T64 VanDerWaalsContact O-N 3.14Å; V61-C65 PolarHBondContact O-N 2.93Å; V61-C65 PolarHBondContact O-SG 3.46Å; V61-H123 HydrophobicContact CG1-CB 3.86Å; V61-H123 VanDerWaalsContact CG2-CE1 3.49Å; V61-H123 WeakPolarHBondContact CG2-CE1 3.46Å; V61-H123 WeakPolarHBondContact CG2-ND1 3.35Å; V61-V353 HydrophobicContact CB-CG1 4.4Å; V61-V353 HydrophobicContact CG1-CG1 4.16Å; V61-V353 HydrophobicContact CG2-CG1 4.24Å; V61-V353 HydrophobicContact CG2-CG2 4.32Å
62	M	98.4	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-37.7	179.3	-71.5	172.4	-168.4	0	0	112.6	I51 A58 C59 T64 C65 K66 T72 A74 H85 M88 A89	I51-M62 HydrophobicContact CB-CE 4.08Å; I51-M62 HydrophobicContact CD1-CE 3.9Å; I51-M62 HydrophobicContact CD1-CG 3.77Å; I51-M62 HydrophobicContact CG1-CE 4.15Å; I51-M62 HydrophobicContact CG1-CG 4.1Å; A58-M62 HydrophobicContact CB-CE 4.35Å; A58-M62 WeakPolarHBondContact O-CB 3.32Å; A58-M62 WeakPolarHBondContact O-CG 3.36Å; A58-M62 PolarHBondContact O-N 3.18Å; C59-M62 PolarHBondContact O-N 3.26Å; M62-T64 VanDerWaalsContact C-N 3.32Å; M62-T64 PolarHBondContact O-N 3.47Å; M62-C65 PolarHBondContact O-N 3.36Å; M62-K66 WeakPolarHBondContact O-CB 3.39Å; M62-K66 WeakPolarHBondContact O-CG 3.21Å; M62-K66 PolarHBondContact O-N 3.04Å; M62-T72 HydrophobicContact CB-CG2 4.25Å; M62-T72 HydrophobicContact CG-CG2 4Å; M62-A74 HydrophobicContact CE-CB 3.69Å; M62-H85 HydrophobicContact CE-CB 4.31Å; M62-H85 HydrophobicContact SD-CB 4.41Å; M62-H85 VanDerWaalsContact SD-O 3.39Å; M62-M88 HydrophobicContact CB-CG 4.2Å; M62-M88 HydrophobicContact CB-SD 3.74Å; M62-M88 HydrophobicContact SD-CB 4.11Å; M62-M88 HydrophobicContact SD-CG 4.19Å; M62-M88 HydrophobicContact SD-SD 4.4Å; M62-A89 HydrophobicContact CE-CB 3.86Å; M62-A89 HydrophobicContact SD-CB 3.98Å
63	K	97.8	Very high	97.4	Very high	98 Å²	98	27.3 Å²	27.3	43%	0.426	14%	0.142	S	C	.	.	H	α-helix	trans	-56.6	-44.4	173.8	-76.6	174.3	-176.3	177.8	0	111.4	C59 V61 K67 M88	C59-K63 WeakPolarHBondContact O-CB 3.4Å; C59-K63 VanDerWaalsContact O-CG 3.3Å; C59-K63 WeakPolarHBondContact O-CG 3.45Å; C59-K63 PolarHBondContact O-N 3.44Å; V61-K63 VanDerWaalsContact C-N 3.32Å; V61-K63 PolarHBondContact O-N 3.29Å; K63-K67 PolarHBondContact O-N 3.05Å; K63-K67 VanDerWaalsContact O-N 3.12Å; K63-M88 HydrophobicContact CG-SD 4.25Å
64	T	97.6	Very high	97.4	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-69.7	-44.1	175.7	-67.4	0	0	0	0	112.1	R60 V61 M62 K66 K67 M68 D351 V353 E354 I357	R60-T64 PolarHBondContact NH1-OG1 3.31Å; V61-T64 PolarHBondContact O-N 3.45Å; V61-T64 VanDerWaalsContact O-N 3.14Å; M62-T64 VanDerWaalsContact C-N 3.32Å; M62-T64 PolarHBondContact O-N 3.47Å; T64-K66 VanDerWaalsContact C-N 3.29Å; T64-K66 PolarHBondContact O-N 2.92Å; T64-K67 WeakPolarHBondContact O-CB 3.11Å; T64-K67 PolarHBondContact O-N 3.12Å; T64-K67 VanDerWaalsContact O-N 3.14Å; T64-M68 HydrophobicContact CG2-CG 4.34Å; T64-M68 HydrophobicContact CG2-SD 3.84Å; T64-M68 WeakPolarHBondContact O-CG 3.36Å; T64-M68 PolarHBondContact O-N 3.01Å; T64-D351 WeakPolarHBondContact CG2-OD2 3.42Å; T64-D351 PolarHBondContact OG1-OD1 2.95Å; T64-D351 PolarHBondContact OG1-OD2 3.41Å; T64-V353 HydrophobicContact CG2-CB 4.09Å; T64-V353 HydrophobicContact CG2-CG1 3.9Å; T64-E354 HydrophobicContact CG2-CB 3.9Å; T64-I357 HydrophobicContact CG2-CD1 4.23Å
65	C	97.4	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.1	-45.2	175.5	-70.3	0	0	0	0	111.8	V61 M62 M68 G69 I70 T72	V61-C65 PolarHBondContact O-N 2.93Å; V61-C65 PolarHBondContact O-SG 3.46Å; M62-C65 PolarHBondContact O-N 3.36Å; C65-M68 CarbonylContact O-C 3.53Å; C65-M68 WeakPolarHBondContact O-CA 3.44Å; C65-M68 PolarHBondContact O-N 2.97Å; C65-M68 VanDerWaalsContact O-N 3.1Å; C65-G69 PolarHBondContact O-N 3.27Å; C65-I70 HydrophobicContact CB-CB 4.09Å; C65-I70 PolarHBondContact O-N 3.34Å; C65-T72 HydrophobicContact CB-CG2 3.37Å
66	K	95.6	Very high	97.6	Very high	102 Å²	102	25.5 Å²	25.5	44%	0.443	13%	0.133	S	C	.	.	H	α-helix	trans	-62	-43.4	176.2	-73.4	-179	180	-169.5	0	112.7	M62 T64 M68 G69 M88	M62-K66 WeakPolarHBondContact O-CB 3.39Å; M62-K66 WeakPolarHBondContact O-CG 3.21Å; M62-K66 PolarHBondContact O-N 3.04Å; T64-K66 VanDerWaalsContact C-N 3.29Å; T64-K66 PolarHBondContact O-N 2.92Å; K66-M68 PolarHBondContact O-N 3.49Å; K66-G69 PolarHBondContact O-N 3.46Å; K66-M88 WeakPolarHBondContact CE-O 3.46Å; K66-M88 PolarHBondContact NZ-O 3.05Å
67	K	94.2	Very high	97.6	Very high	99 Å²	99	25 Å²	25	43%	0.43	13%	0.13	S	C	.	.	H	α-helix	trans	-58.6	-33.6	173.9	-175.3	-172	172.3	-157.7	0	111.8	K63 T64 E354	K63-K67 PolarHBondContact O-N 3.05Å; K63-K67 VanDerWaalsContact O-N 3.12Å; T64-K67 WeakPolarHBondContact O-CB 3.11Å; T64-K67 PolarHBondContact O-N 3.12Å; T64-K67 VanDerWaalsContact O-N 3.14Å; K67-E354 IonicContact NZ-OE2 3.65Å
68	M	94.2	Very high	97.5	Very high	18 Å²	18	28.6 Å²	28.6	9%	0.089	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.7	177.9	-62.5	178.3	78.1	0	0	114.1	T45 T64 C65 K66 I70 E354 I357 R358	T45-M68 HydrophobicContact CG2-CE 4.08Å; T64-M68 HydrophobicContact CG2-CG 4.34Å; T64-M68 HydrophobicContact CG2-SD 3.84Å; T64-M68 WeakPolarHBondContact O-CG 3.36Å; T64-M68 PolarHBondContact O-N 3.01Å; C65-M68 CarbonylContact O-C 3.53Å; C65-M68 WeakPolarHBondContact O-CA 3.44Å; C65-M68 PolarHBondContact O-N 2.97Å; C65-M68 VanDerWaalsContact O-N 3.1Å; K66-M68 PolarHBondContact O-N 3.49Å; M68-I70 VanDerWaalsContact C-N 3.35Å; M68-I70 HydrophobicContact CB-CD1 3.84Å; M68-I70 HydrophobicContact CB-CG1 3.89Å; M68-I70 HydrophobicContact CE-CD1 4.34Å; M68-I70 HydrophobicContact SD-CD1 4.22Å; M68-E354 HydrophobicContact CE-CG 4.05Å; M68-E354 HydrophobicContact SD-CB 4.25Å; M68-E354 HydrophobicContact SD-CG 3.86Å; M68-I357 HydrophobicContact CE-CB 4.35Å; M68-I357 HydrophobicContact CE-CG2 3.92Å; M68-I357 HydrophobicContact SD-CB 4.36Å; M68-I357 HydrophobicContact SD-CD1 3.86Å; M68-I357 HydrophobicContact SD-CG2 4.25Å; M68-R358 HydrophobicContact CE-CG 4.12Å
69	G	94.8	Very high	97.3	Very high	66 Å²	66	31.8 Å²	31.8	68%	0.68	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	26.6	-178	0	0	0	0	0	114.7	C65 K66	C65-G69 PolarHBondContact O-N 3.27Å; K66-G69 PolarHBondContact O-N 3.46Å
70	I	97.4	Very high	97.2	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	17%	0.171	C	C	.	.			trans	-98.7	131.4	-178.5	-54.3	176.4	0	0	0	109.5	T45 F46 I49 C65 M68 I357	T45-I70 HydrophobicContact CG2-CD1 4.38Å; F46-I70 HydrophobicContact CB-CG2 4.48Å; F46-I70 WeakPolarHBondContact O-CG1 3.34Å; F46-I70 WeakPolarHBondContact O-CG2 3.42Å; I49-I70 HydrophobicContact CB-CG2 4.24Å; I49-I70 HydrophobicContact CD1-CD1 3.96Å; I49-I70 HydrophobicContact CD1-CG2 3.79Å; I49-I70 HydrophobicContact CG1-CG2 3.72Å; C65-I70 HydrophobicContact CB-CB 4.09Å; C65-I70 PolarHBondContact O-N 3.34Å; M68-I70 VanDerWaalsContact C-N 3.35Å; M68-I70 HydrophobicContact CB-CD1 3.84Å; M68-I70 HydrophobicContact CB-CG1 3.89Å; M68-I70 HydrophobicContact CE-CD1 4.34Å; M68-I70 HydrophobicContact SD-CD1 4.22Å; I70-I357 HydrophobicContact CD1-CG2 3.89Å
71	Q	98.5	Very high	97	Very high	97 Å²	97	35 Å²	35	45%	0.453	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	146	174	-62.2	-174.7	-43.3	0	0	111.1	E47 K48 I49 D90	E47-Q71 VanDerWaalsContact O-CB 3.3Å; E47-Q71 WeakPolarHBondContact O-CB 3.43Å; E47-Q71 PolarHBondContact O-N 2.93Å; K48-Q71 CarbonylContact C-O 3.41Å; K48-Q71 VanDerWaalsContact CA-O 3.31Å; K48-Q71 WeakPolarHBondContact CA-O 3.26Å; K48-Q71 HydrophobicContact CB-CB 4.18Å; K48-Q71 VanDerWaalsContact CE-OE1 3.3Å; K48-Q71 HydrophobicContact CG-CB 4.04Å; I49-Q71 PolarHBondContact N-O 3.04Å; Q71-D90 WeakPolarHBondContact CA-OD2 3.47Å
72	T	98.8	Very high	96.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.3	-171.4	53.4	0	0	0	0	111.9	I49 I51 M62 C65 A89 D90 E91	I49-T72 WeakPolarHBondContact O-CA 3.44Å; I51-T72 HydrophobicContact CD1-CG2 4.13Å; M62-T72 HydrophobicContact CB-CG2 4.25Å; M62-T72 HydrophobicContact CG-CG2 4Å; C65-T72 HydrophobicContact CB-CG2 3.37Å; T72-A89 WeakPolarHBondContact OG1-CA 3.35Å; T72-D90 PolarHBondContact N-OD2 2.79Å; T72-D90 PolarHBondContact O-N 2.98Å; T72-D90 PolarHBondContact OG1-N 3.4Å; T72-D90 PolarHBondContact OG1-OD2 2.78Å; T72-E91 PolarHBondContact O-N 3.23Å; T72-E91 VanDerWaalsContact O-N 3.14Å
73	V	98.8	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.5	172.9	-172.7	0	0	0	0	109.2	K48 I49 L50 I51 E91 V93 T117	K48-V73 HydrophobicContact CD-CG2 3.58Å; K48-V73 HydrophobicContact CG-CG2 3.73Å; I49-V73 PolarHBondContact O-N 2.85Å; L50-V73 WeakPolarHBondContact CA-O 3.34Å; L50-V73 HydrophobicContact CB-CB 4.07Å; L50-V73 HydrophobicContact CD1-CB 4.29Å; L50-V73 HydrophobicContact CD1-CG1 3.93Å; L50-V73 HydrophobicContact CG-CB 4.2Å; L50-V73 HydrophobicContact CG-CG1 4.3Å; I51-V73 WeakPolarHBondContact CD1-O 3.29Å; I51-V73 PolarHBondContact N-O 2.85Å; V73-E91 CarbonylContact C-O 2.95Å; V73-E91 VanDerWaalsContact CA-O 3.31Å; V73-E91 WeakPolarHBondContact CA-O 3.19Å; V73-E91 HydrophobicContact CG1-CB 4.34Å; V73-E91 HydrophobicContact CG2-CB 4.29Å; V73-V93 HydrophobicContact CG1-CG2 4.43Å; V73-T117 HydrophobicContact CG1-CG2 3.63Å; V73-T117 HydrophobicContact CG2-CG2 4.24Å
74	A	98.8	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.9	169.2	0	0	0	0	0	110.9	M62 A89 E91 A92 V93	M62-A74 HydrophobicContact CE-CB 3.69Å; A74-A89 HydrophobicContact CB-CB 3.58Å; A74-E91 PolarHBondContact N-O 2.94Å; A74-A92 HydrophobicContact CB-CB 4.16Å; A74-A92 CarbonylContact O-C 3.44Å; A74-A92 VanDerWaalsContact O-CA 3.29Å; A74-A92 WeakPolarHBondContact O-CA 3.46Å; A74-V93 PolarHBondContact O-N 2.98Å
75	V	98.6	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	148.1	156.6	-61.8	0	0	0	0	109.4	L50 H85 V93 V95 Y104 A113	L50-V75 HydrophobicContact CD1-CG1 3.87Å; L50-V75 HydrophobicContact CD2-CG1 3.99Å; L50-V75 HydrophobicContact CG-CG1 4.13Å; V75-H85 PolarHBondContact O-NE2 3.35Å; V75-H85 VanDerWaalsContact O-NE2 3.15Å; V75-V93 WeakPolarHBondContact CA-O 3.48Å; V75-V95 HydrophobicContact CB-CG1 3.74Å; V75-V95 HydrophobicContact CB-CG2 4.1Å; V75-V95 HydrophobicContact CG1-CG1 3.75Å; V75-Y104 HydrophobicContact CG2-CD1 4.14Å; V75-Y104 HydrophobicContact CG2-CE1 4.12Å; V75-A113 HydrophobicContact CG1-CB 4.33Å
76	H	98.5	Very high	96.8	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.102	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.7	177.4	69.3	92.7	0	0	0	112.7	D80 V86 V93 C94 V95 Y104	H76-D80 HydrophobicContact CB-CB 4.06Å; H76-V86 HydrophobicContact CB-CG2 3.53Å; H76-V93 VanDerWaalsContact CD2-C 3.5Å; H76-V93 PolarHBondContact CD2-O 3.08Å; H76-V93 PolarHBondContact N-O 2.97Å; H76-C94 PolarHBondContact NE2-N 3.39Å; H76-C94 CarbonylContact O-C 3.49Å; H76-C94 VanDerWaalsContact O-CA 3.31Å; H76-C94 WeakPolarHBondContact O-CA 3.26Å; H76-V95 WeakPolarHBondContact O-CG2 3.25Å; H76-V95 PolarHBondContact O-N 2.93Å; H76-Y104 WeakPolarHBondContact CA-OH 3.35Å
77	S	97.9	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	171.9	163.7	75.7	0	0	0	0	110.9	V79 D80 S81 G96 Y104 Y428	S77-V79 PolarHBondContact O-N 2.95Å; S77-V79 WeakPolarHBondContact OG-CG2 3.3Å; S77-V79 PolarHBondContact OG-N 3.42Å; S77-D80 PolarHBondContact O-N 3.04Å; S77-D80 VanDerWaalsContact O-N 3.16Å; S77-D80 PolarHBondContact OG-N 3.19Å; S77-S81 PolarHBondContact O-N 3.48Å; S77-G96 CarbonylContact C-O 3.55Å; S77-G96 WeakPolarHBondContact CA-O 3.39Å; S77-Y104 PolarHBondContact N-OH 3.29Å; S77-Y428 WeakPolarHBondContact CB-OH 3.42Å; S77-Y428 PolarHBondContact OG-OH 2.92Å
78	D	95.7	Very high	97	Very high	77 Å²	77	34.4 Å²	34.4	41%	0.412	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-50.8	-48.6	170.7	56.8	-0.8	0	0	0	113.7	D80 S81 G96 P97 A98	D78-D80 VanDerWaalsContact C-N 3.3Å; D78-D80 PolarHBondContact O-N 2.84Å; D78-S81 VanDerWaalsContact O-CB 3.3Å; D78-S81 WeakPolarHBondContact O-CB 3.37Å; D78-S81 PolarHBondContact O-N 3.12Å; D78-S81 PolarHBondContact O-OG 3.04Å; D78-G96 PolarHBondContact N-O 3.33Å; D78-P97 WeakPolarHBondContact OD1-CA 3.32Å; D78-P97 WeakPolarHBondContact OD2-CA 3.35Å; D78-A98 PolarHBondContact OD1-N 3.19Å
79	V	94.2	Very high	97.2	Very high	67 Å²	67	34.3 Å²	34.3	41%	0.406	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-71.5	-19.4	-179.8	-63.1	0	0	0	0	114.2	S77 A98 Y427 Y428	S77-V79 PolarHBondContact O-N 2.95Å; S77-V79 WeakPolarHBondContact OG-CG2 3.3Å; S77-V79 PolarHBondContact OG-N 3.42Å; V79-A98 HydrophobicContact CB-CB 4.28Å; V79-A98 HydrophobicContact CG1-CB 3.77Å; V79-A98 HydrophobicContact CG2-CB 3.48Å; V79-A98 VanDerWaalsContact CG2-CB 3.48Å; V79-Y427 HydrophobicContact CG2-CD2 4.48Å; V79-Y428 HydrophobicContact CG2-CE2 3.89Å
80	D	96.6	Very high	97.4	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.053	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-93.8	7.1	177	-77.7	-36.1	0	0	0	112.2	R54 H76 S77 D78 S82 A83 V86 Y104 Y428	R54-D80 IonicContact CZ-OD1 3.04Å; R54-D80 IonicContact CZ-OD2 3.79Å; R54-D80 IonicContact NE-OD1 3.73Å; R54-D80 IonicContact NE-OD2 2.65Å; R54-D80 PolarHBondContact NE-OD2 2.91Å; R54-D80 IonicContact NH2-OD1 3.35Å; R54-D80 PolarHBondContact NH2-OD1 2.82Å; R54-D80 IonicContact NH2-OD2 3.25Å; H76-D80 HydrophobicContact CB-CB 4.06Å; S77-D80 PolarHBondContact O-N 3.04Å; S77-D80 VanDerWaalsContact O-N 3.16Å; S77-D80 PolarHBondContact OG-N 3.19Å; D78-D80 VanDerWaalsContact C-N 3.3Å; D78-D80 PolarHBondContact O-N 2.84Å; D80-S82 PolarHBondContact O-N 3.38Å; D80-A83 HydrophobicContact CB-CB 4.13Å; D80-A83 WeakPolarHBondContact O-CB 3.36Å; D80-A83 PolarHBondContact O-N 2.68Å; D80-V86 VanDerWaalsContact O-CG2 3.3Å; D80-V86 WeakPolarHBondContact O-CG2 3.47Å; D80-Y104 WeakPolarHBondContact CB-OH 3.46Å; D80-Y104 WeakPolarHBondContact OD2-CE2 3.28Å; D80-Y104 PolarHBondContact OD2-OH 2.67Å; D80-Y428 WeakPolarHBondContact OD1-CE2 3.5Å; D80-Y428 WeakPolarHBondContact OD2-CE2 3.49Å; D80-Y428 VanDerWaalsContact OD2-CZ 3.31Å; D80-Y428 PolarHBondContact OD2-OH 3.2Å
81	S	95.6	Very high	97.5	Very high	69 Å²	69	38.9 Å²	38.9	48%	0.483	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.4	-177.7	53.7	0	0	0	0	114.5	S77 D78	S77-S81 PolarHBondContact O-N 3.48Å; D78-S81 VanDerWaalsContact O-CB 3.3Å; D78-S81 WeakPolarHBondContact O-CB 3.37Å; D78-S81 PolarHBondContact O-N 3.12Å; D78-S81 PolarHBondContact O-OG 3.04Å
82	S	93.8	Very high	97.5	Very high	74 Å²	74	36.4 Å²	36.4	52%	0.517	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	8.3	176	60.4	0	0	0	0	113.9	D80 K87	D80-S82 PolarHBondContact O-N 3.38Å; S82-K87 WeakPolarHBondContact O-CE 3.44Å; S82-K87 PolarHBondContact O-NZ 3.39Å
83	A	96.8	Very high	97.4	Very high	14 Å²	14	37.5 Å²	37.5	12%	0.116	22%	0.217	C	C	.	.			trans	-67	155.3	-178	0	0	0	0	0	112.3	D80 H85 V86 K87	D80-A83 HydrophobicContact CB-CB 4.13Å; D80-A83 WeakPolarHBondContact O-CB 3.36Å; D80-A83 PolarHBondContact O-N 2.68Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 WeakPolarHBondContact CB-ND1 3.37Å; A83-H85 PolarHBondContact O-N 3.23Å; A83-V86 HydrophobicContact CB-CG2 4.38Å; A83-V86 WeakPolarHBondContact O-CB 3.43Å; A83-V86 PolarHBondContact O-N 2.89Å; A83-V86 VanDerWaalsContact O-N 3.11Å; A83-K87 PolarHBondContact O-N 3.36Å
84	V	97.2	Very high	97.4	Very high	23 Å²	23	40.9 Å²	40.9	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-40.4	-176	179.3	0	0	0	0	111.8	V86 K87 M88 E419	V84-V86 VanDerWaalsContact C-N 3.28Å; V84-V86 PolarHBondContact O-N 2.94Å; V84-K87 PolarHBondContact O-N 3.03Å; V84-M88 HydrophobicContact CG1-CE 4.32Å; V84-M88 VanDerWaalsContact O-CB 3.31Å; V84-M88 WeakPolarHBondContact O-CB 3.41Å; V84-M88 PolarHBondContact O-N 3.4Å; V84-E419 HydrophobicContact CG2-CB 4.07Å; V84-E419 HydrophobicContact CG2-CG 3.83Å
85	H	98.3	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-30.7	179.9	74.1	-78	0	0	0	112.7	A58 M62 V75 A83 M88 A89	A58-H85 HydrophobicContact CB-CB 3.6Å; M62-H85 HydrophobicContact CE-CB 4.31Å; M62-H85 HydrophobicContact SD-CB 4.41Å; M62-H85 VanDerWaalsContact SD-O 3.39Å; V75-H85 PolarHBondContact O-NE2 3.35Å; V75-H85 VanDerWaalsContact O-NE2 3.15Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 WeakPolarHBondContact CB-ND1 3.37Å; A83-H85 PolarHBondContact O-N 3.23Å; H85-M88 PolarHBondContact O-N 2.9Å; H85-A89 PolarHBondContact O-N 3.47Å; H85-A89 VanDerWaalsContact O-N 3.16Å
86	V	98.2	Very high	97.4	Very high	20 Å²	20	42.1 Å²	42.1	12%	0.121	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-46	175.2	177.5	0	0	0	0	110.5	H76 D80 A83 V84 M88 A89 A92	H76-V86 HydrophobicContact CB-CG2 3.53Å; D80-V86 VanDerWaalsContact O-CG2 3.3Å; D80-V86 WeakPolarHBondContact O-CG2 3.47Å; A83-V86 HydrophobicContact CB-CG2 4.38Å; A83-V86 WeakPolarHBondContact O-CB 3.43Å; A83-V86 PolarHBondContact O-N 2.89Å; A83-V86 VanDerWaalsContact O-N 3.11Å; V84-V86 VanDerWaalsContact C-N 3.28Å; V84-V86 PolarHBondContact O-N 2.94Å; V86-M88 PolarHBondContact O-N 3.4Å; V86-A89 PolarHBondContact O-N 2.91Å; V86-A92 HydrophobicContact CG1-CB 3.73Å
87	K	97.6	Very high	97.3	Very high	124 Å²	124	43.6 Å²	43.6	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-28	175.6	-62.6	174.7	-173.7	165.7	0	112.5	S82 A83 V84 E419	S82-K87 WeakPolarHBondContact O-CE 3.44Å; S82-K87 PolarHBondContact O-NZ 3.39Å; A83-K87 PolarHBondContact O-N 3.36Å; V84-K87 PolarHBondContact O-N 3.03Å; K87-E419 IonicContact NZ-OE1 3.81Å; K87-E419 PolarHBondContact NZ-OE1 3.24Å
88	M	97.8	Very high	97	Very high	36 Å²	36	43.8 Å²	43.8	18%	0.177	26%	0.264	C	S	.	.	H	α-helix	trans	-78	-32.5	-178.5	-173	176.6	-60.7	0	0	112.7	C59 M62 K63 K66 V84 H85 V86	C59-M88 HydrophobicContact CB-CE 3.82Å; C59-M88 HydrophobicContact CB-SD 4.12Å; M62-M88 HydrophobicContact CB-CG 4.2Å; M62-M88 HydrophobicContact CB-SD 3.74Å; M62-M88 HydrophobicContact SD-CB 4.11Å; M62-M88 HydrophobicContact SD-CG 4.19Å; M62-M88 HydrophobicContact SD-SD 4.4Å; K63-M88 HydrophobicContact CG-SD 4.25Å; K66-M88 WeakPolarHBondContact CE-O 3.46Å; K66-M88 PolarHBondContact NZ-O 3.05Å; V84-M88 HydrophobicContact CG1-CE 4.32Å; V84-M88 VanDerWaalsContact O-CB 3.31Å; V84-M88 WeakPolarHBondContact O-CB 3.41Å; V84-M88 PolarHBondContact O-N 3.4Å; H85-M88 PolarHBondContact O-N 2.9Å; V86-M88 PolarHBondContact O-N 3.4Å
89	A	98.3	Very high	96.9	Very high	16 Å²	16	42.6 Å²	42.6	13%	0.132	26%	0.261	C	S	.	.	S	Bend	trans	-72.7	157.3	-175.7	0	0	0	0	0	112.9	M62 T72 A74 H85 V86 E91	M62-A89 HydrophobicContact CE-CB 3.86Å; M62-A89 HydrophobicContact SD-CB 3.98Å; T72-A89 WeakPolarHBondContact OG1-CA 3.35Å; A74-A89 HydrophobicContact CB-CB 3.58Å; H85-A89 PolarHBondContact O-N 3.47Å; H85-A89 VanDerWaalsContact O-N 3.16Å; V86-A89 PolarHBondContact O-N 2.91Å; A89-E91 VanDerWaalsContact CB-O 3.25Å; A89-E91 WeakPolarHBondContact CB-O 3.25Å
90	D	98.6	Very high	96.8	Very high	93 Å²	93	40.5 Å²	40.5	50%	0.497	25%	0.248	S	C	.	.	S	Bend	trans	-75.3	-32.3	174.9	-55.7	-74.9	0	0	0	111.3	Q71 T72	Q71-D90 WeakPolarHBondContact CA-OD2 3.47Å; T72-D90 PolarHBondContact N-OD2 2.79Å; T72-D90 PolarHBondContact O-N 2.98Å; T72-D90 PolarHBondContact OG1-N 3.4Å; T72-D90 PolarHBondContact OG1-OD2 2.78Å
91	E	98.3	Very high	96.5	Very high	74 Å²	74	42.5 Å²	42.5	35%	0.346	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.9	172.9	-68.5	173.6	-128.7	0	0	110.1	K48 T72 V73 A74 A89	K48-E91 WeakPolarHBondContact CE-OE1 3.25Å; K48-E91 IonicContact NZ-OE1 3.02Å; K48-E91 PolarHBondContact NZ-OE1 3.41Å; K48-E91 IonicContact NZ-OE2 3.01Å; T72-E91 PolarHBondContact O-N 3.23Å; T72-E91 VanDerWaalsContact O-N 3.14Å; V73-E91 CarbonylContact C-O 2.95Å; V73-E91 VanDerWaalsContact CA-O 3.31Å; V73-E91 WeakPolarHBondContact CA-O 3.19Å; V73-E91 HydrophobicContact CG1-CB 4.34Å; V73-E91 HydrophobicContact CG2-CB 4.29Å; A74-E91 PolarHBondContact N-O 2.94Å; A89-E91 VanDerWaalsContact CB-O 3.25Å; A89-E91 WeakPolarHBondContact CB-O 3.25Å
92	A	98.4	Very high	96.4	Very high	44 Å²	44	45.7 Å²	45.7	36%	0.364	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.7	176.2	0	0	0	0	0	111.5	A74 V86	A74-A92 HydrophobicContact CB-CB 4.16Å; A74-A92 CarbonylContact O-C 3.44Å; A74-A92 VanDerWaalsContact O-CA 3.29Å; A74-A92 WeakPolarHBondContact O-CA 3.46Å; V86-A92 HydrophobicContact CG1-CB 3.73Å
93	V	98.6	Very high	96.5	Very high	25 Å²	25	42.2 Å²	42.2	15%	0.152	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.3	-179.5	-175.6	0	0	0	0	110.5	V73 A74 V75 H76 A113 T117	V73-V93 HydrophobicContact CG1-CG2 4.43Å; A74-V93 PolarHBondContact O-N 2.98Å; V75-V93 WeakPolarHBondContact CA-O 3.48Å; H76-V93 VanDerWaalsContact CD2-C 3.5Å; H76-V93 PolarHBondContact CD2-O 3.08Å; H76-V93 PolarHBondContact N-O 2.97Å; V93-A113 HydrophobicContact CB-CB 3.95Å; V93-A113 HydrophobicContact CG1-CB 3.73Å; V93-A113 HydrophobicContact CG2-CB 4.26Å; V93-T117 HydrophobicContact CG2-CG2 3.64Å
94	C	98.5	Very high	96.6	Very high	70 Å²	70	41.6 Å²	41.6	47%	0.473	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.1	172.9	-173	0	0	0	0	109.9	H76	H76-C94 PolarHBondContact NE2-N 3.39Å; H76-C94 CarbonylContact O-C 3.49Å; H76-C94 VanDerWaalsContact O-CA 3.31Å; H76-C94 WeakPolarHBondContact O-CA 3.26Å
95	V	98.1	Very high	96.5	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	3.2	-176.7	-65.1	0	0	0	0	113.8	V75 H76 A109 I110 A113	V75-V95 HydrophobicContact CB-CG1 3.74Å; V75-V95 HydrophobicContact CB-CG2 4.1Å; V75-V95 HydrophobicContact CG1-CG1 3.75Å; H76-V95 WeakPolarHBondContact O-CG2 3.25Å; H76-V95 PolarHBondContact O-N 2.93Å; V95-A109 HydrophobicContact CB-CB 3.96Å; V95-A109 HydrophobicContact CG1-CB 4.41Å; V95-A109 WeakPolarHBondContact O-CB 3.28Å; V95-I110 HydrophobicContact CG1-CG1 4.26Å; V95-A113 HydrophobicContact CG1-CB 4.32Å
96	G	97.6	Very high	96.5	Very high	20 Å²	20	46.1 Å²	46.1	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.7	-168.8	173.4	0	0	0	0	0	114.7	S77 D78	S77-G96 CarbonylContact C-O 3.55Å; S77-G96 WeakPolarHBondContact CA-O 3.39Å; D78-G96 PolarHBondContact N-O 3.33Å
97	P	97.3	Very high	96.4	Very high	53 Å²	53	46.5 Å²	46.5	34%	0.344	27%	0.271	S	S	.	.	S	Bend	trans	-76.9	172.2	179.1	33.1	-35.9	0	0	0	112.7	D78 P99 K102 S103	D78-P97 WeakPolarHBondContact OD1-CA 3.32Å; D78-P97 WeakPolarHBondContact OD2-CA 3.35Å; P97-P99 VanDerWaalsContact C-CD 3.47Å; P97-K102 HydrophobicContact CG-CB 3.71Å; P97-K102 HydrophobicContact CG-CD 4.02Å; P97-S103 WeakPolarHBondContact O-CB 3.49Å; P97-S103 PolarHBondContact O-OG 3.28Å; P97-S103 VanDerWaalsContact O-OG 3.05Å
98	A	92.8	Very high	96.5	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	27%	0.269	C	S	.	.	S	Bend	trans	-50.1	-42.8	-173.6	0	0	0	0	0	117.1	D78 V79 T100 Y427 Y428	D78-A98 PolarHBondContact OD1-N 3.19Å; V79-A98 HydrophobicContact CB-CB 4.28Å; V79-A98 HydrophobicContact CG1-CB 3.77Å; V79-A98 HydrophobicContact CG2-CB 3.48Å; V79-A98 VanDerWaalsContact CG2-CB 3.48Å; A98-T100 PolarHBondContact O-N 3.06Å; A98-Y427 HydrophobicContact CB-CD1 4.05Å; A98-Y427 HydrophobicContact CB-CD2 3.45Å; A98-Y427 VanDerWaalsContact CB-CD2 3.45Å; A98-Y427 HydrophobicContact CB-CE1 4.06Å; A98-Y427 HydrophobicContact CB-CE2 3.43Å; A98-Y427 VanDerWaalsContact CB-CE2 3.43Å; A98-Y427 HydrophobicContact CB-CG 3.75Å; A98-Y428 PolarHBondContact O-OH 2.83Å
99	P	92.3	Very high	96.5	Very high	52 Å²	52	45.2 Å²	45.2	34%	0.338	27%	0.27	S	S	.	.	S	Bend	trans	-62.2	128.6	-177.9	-24.4	35.5	0	0	0	112.2	P97 G101 K102 S103 Y427	P97-P99 VanDerWaalsContact C-CD 3.47Å; P99-G101 PolarHBondContact O-N 3.34Å; P99-G101 VanDerWaalsContact O-N 3.07Å; P99-K102 PolarHBondContact O-N 2.79Å; P99-S103 PolarHBondContact O-N 3.48Å; P99-S103 PolarHBondContact O-OG 3.44Å; P99-S103 VanDerWaalsContact O-OG 3.11Å; P99-Y427 HydrophobicContact CG-CD1 4.44Å; P99-Y427 HydrophobicContact CG-CE1 4.28Å
100	T	91.4	Very high	96.5	Very high	22 Å²	22	44.5 Å²	44.5	14%	0.135	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.7	-172.8	59.5	0	0	0	0	113.5	A98 K102 S103 Y104 L105 F128 Y428	A98-T100 PolarHBondContact O-N 3.06Å; T100-K102 PolarHBondContact O-N 2.93Å; T100-S103 PolarHBondContact O-N 3.07Å; T100-Y104 PolarHBondContact O-N 3.29Å; T100-L105 VanDerWaalsContact O-CB 3.3Å; T100-L105 WeakPolarHBondContact O-CB 3.41Å; T100-L105 PolarHBondContact O-N 3.43Å; T100-F128 HydrophobicContact CG2-CE1 3.64Å; T100-F128 HydrophobicContact CG2-CZ 4.29Å; T100-Y428 HydrophobicContact CG2-CD1 3.72Å; T100-Y428 HydrophobicContact CG2-CE1 3.68Å
101	G	91.4	Very high	96.5	Very high	53 Å²	53	40.2 Å²	40.2	55%	0.546	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62	-22.7	176.2	0	0	0	0	0	114.4	P99	P99-G101 PolarHBondContact O-N 3.34Å; P99-G101 VanDerWaalsContact O-N 3.07Å
102	K	93.4	Very high	96.5	Very high	136 Å²	136	40.5 Å²	40.5	59%	0.591	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-105.3	-8.1	-179.2	-62.6	-177	179.9	178.3	0	113.2	P97 P99 T100 N106	P97-K102 HydrophobicContact CG-CB 3.71Å; P97-K102 HydrophobicContact CG-CD 4.02Å; P99-K102 PolarHBondContact O-N 2.79Å; T100-K102 PolarHBondContact O-N 2.93Å; K102-N106 PolarHBondContact O-ND2 3.02Å
103	S	96.6	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-89.7	-178.7	51	0	0	0	0	112.3	P97 P99 T100 L105 N106	P97-S103 WeakPolarHBondContact O-CB 3.49Å; P97-S103 PolarHBondContact O-OG 3.28Å; P97-S103 VanDerWaalsContact O-OG 3.05Å; P99-S103 PolarHBondContact O-N 3.48Å; P99-S103 PolarHBondContact O-OG 3.44Å; P99-S103 VanDerWaalsContact O-OG 3.11Å; T100-S103 PolarHBondContact O-N 3.07Å; S103-L105 PolarHBondContact O-N 2.99Å; S103-L105 VanDerWaalsContact O-N 3.14Å; S103-N106 WeakPolarHBondContact O-CB 3.27Å; S103-N106 PolarHBondContact O-N 3.33Å
104	Y	97.1	Very high	96.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.1	-172.8	-64.8	-74.9	0	0	0	115.2	R54 V75 H76 S77 D80 T100 I110 F128 Y428	R54-Y104 HydrophobicContact CB-CE1 3.74Å; R54-Y104 HydrophobicContact CB-CE2 4.3Å; R54-Y104 WeakPolarHBondContact CB-OH 3.29Å; R54-Y104 HydrophobicContact CG-CE1 4.38Å; R54-Y104 HydrophobicContact CG-CE2 4.33Å; V75-Y104 HydrophobicContact CG2-CD1 4.14Å; V75-Y104 HydrophobicContact CG2-CE1 4.12Å; H76-Y104 WeakPolarHBondContact CA-OH 3.35Å; S77-Y104 PolarHBondContact N-OH 3.29Å; D80-Y104 WeakPolarHBondContact CB-OH 3.46Å; D80-Y104 WeakPolarHBondContact OD2-CE2 3.28Å; D80-Y104 PolarHBondContact OD2-OH 2.67Å; T100-Y104 PolarHBondContact O-N 3.29Å; Y104-I110 WeakPolarHBondContact O-CD1 3.27Å; Y104-F128 VanDerWaalsContact CB-CD1 3.47Å; Y104-F128 VanDerWaalsContact CB-CE1 3.43Å; Y104-F128 HydrophobicContact CD2-CE1 4.25Å; Y104-F128 HydrophobicContact CD2-CZ 4.3Å; Y104-F128 HydrophobicContact CG-CD1 4.44Å; Y104-F128 HydrophobicContact CG-CE1 4.03Å; Y104-F128 HydrophobicContact CG-CZ 4.18Å; Y104-Y428 AromaticContact CD2-CE1 3.94Å; Y104-Y428 HydrophobicContact CD2-CE1 3.94Å; Y104-Y428 AromaticContact CE2-CE1 3.77Å; Y104-Y428 HydrophobicContact CE2-CE1 3.77Å; Y104-Y428 AromaticContact CE2-CZ 3.8Å
105	L	96.2	Very high	96.5	Very high	66 Å²	66	39.8 Å²	39.8	35%	0.346	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.2	171.7	-62.9	172.5	0	0	0	112.7	T100 S103 M107 F128 L129	T100-L105 VanDerWaalsContact O-CB 3.3Å; T100-L105 WeakPolarHBondContact O-CB 3.41Å; T100-L105 PolarHBondContact O-N 3.43Å; S103-L105 PolarHBondContact O-N 2.99Å; S103-L105 VanDerWaalsContact O-N 3.14Å; L105-M107 PolarHBondContact O-N 2.98Å; L105-M107 VanDerWaalsContact O-N 3.09Å; L105-F128 HydrophobicContact CD2-CB 4.15Å; L105-F128 HydrophobicContact CD2-CD1 4.08Å; L105-F128 HydrophobicContact CG-CD1 4.22Å; L105-L129 HydrophobicContact CD2-CD2 4.13Å; L105-L129 HydrophobicContact CD2-CG 4.45Å
106	N	97.2	Very high	96.5	Very high	53 Å²	53	45.3 Å²	45.3	28%	0.283	24%	0.244	S	C	.	.			trans	-80.9	91	179.8	-173.4	-13.2	0	0	0	110.1	K102 S103 E108 A109 I110	K102-N106 PolarHBondContact O-ND2 3.02Å; S103-N106 WeakPolarHBondContact O-CB 3.27Å; S103-N106 PolarHBondContact O-N 3.33Å; N106-E108 VanDerWaalsContact C-N 3.28Å; N106-E108 PolarHBondContact O-N 2.8Å; N106-E108 PolarHBondContact OD1-N 3.22Å; N106-A109 HydrophobicContact CB-CB 4.13Å; N106-A109 PolarHBondContact O-N 2.83Å; N106-A109 PolarHBondContact OD1-N 3.25Å; N106-I110 WeakPolarHBondContact O-CG1 3.37Å; N106-I110 PolarHBondContact O-N 3.44Å; N106-I110 VanDerWaalsContact O-N 3.14Å
107	M	97.8	Very high	96.5	Very high	28 Å²	28	44.9 Å²	44.9	14%	0.138	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-39.5	-179.4	-62.3	179.5	-162.7	0	0	112.3	L105 A109 I110 M111 L129 N132 E134 F135	L105-M107 PolarHBondContact O-N 2.98Å; L105-M107 VanDerWaalsContact O-N 3.09Å; M107-A109 PolarHBondContact O-N 3.42Å; M107-I110 PolarHBondContact O-N 2.88Å; M107-M111 WeakPolarHBondContact O-CB 3.46Å; M107-M111 WeakPolarHBondContact O-CG 3.44Å; M107-M111 PolarHBondContact O-N 2.99Å; M107-L129 HydrophobicContact CE-CD2 3.8Å; M107-L129 HydrophobicContact CG-CD1 4.08Å; M107-L129 HydrophobicContact CG-CD2 4.07Å; M107-N132 HydrophobicContact CE-CB 4.44Å; M107-N132 WeakPolarHBondContact CE-ND2 3.31Å; M107-N132 WeakPolarHBondContact CE-OD1 3.43Å; M107-E134 HydrophobicContact SD-CG 4.41Å; M107-F135 HydrophobicContact CB-CD2 4.34Å; M107-F135 HydrophobicContact CE-CB 4.26Å; M107-F135 HydrophobicContact CG-CB 4.43Å; M107-F135 HydrophobicContact CG-CD2 4.02Å; M107-F135 HydrophobicContact SD-CB 4.11Å
108	E	97.9	Very high	96.5	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-46	-178.8	-63.8	-56.3	144.8	0	0	111.6	N106 I110 M111 E112 R138	N106-E108 VanDerWaalsContact C-N 3.28Å; N106-E108 PolarHBondContact O-N 2.8Å; N106-E108 PolarHBondContact OD1-N 3.22Å; E108-I110 VanDerWaalsContact C-N 3.33Å; E108-I110 PolarHBondContact O-N 3.07Å; E108-M111 PolarHBondContact O-N 2.73Å; E108-E112 WeakPolarHBondContact O-CB 3.2Å; E108-E112 PolarHBondContact O-N 3.29Å; E108-R138 IonicContact OE1-CZ 3.75Å; E108-R138 IonicContact OE1-NH1 2.62Å; E108-R138 PolarHBondContact OE1-NH1 3.19Å
109	A	98.2	Very high	96.8	Very high	24 Å²	24	44.8 Å²	44.8	20%	0.198	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-38.4	177.8	0	0	0	0	0	112.1	V95 N106 M107 E112 A113	V95-A109 HydrophobicContact CB-CB 3.96Å; V95-A109 HydrophobicContact CG1-CB 4.41Å; V95-A109 WeakPolarHBondContact O-CB 3.28Å; N106-A109 HydrophobicContact CB-CB 4.13Å; N106-A109 PolarHBondContact O-N 2.83Å; N106-A109 PolarHBondContact OD1-N 3.25Å; M107-A109 PolarHBondContact O-N 3.42Å; A109-E112 PolarHBondContact O-N 2.79Å; A109-A113 PolarHBondContact O-N 3.12Å
110	I	98.3	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.2	-43.2	177.7	-65.9	167.8	0	0	0	111.1	L50 A52 V95 Y104 N106 M107 E108 E112 A113 I114 L129 F135	L50-I110 HydrophobicContact CD2-CG2 4.24Å; A52-I110 HydrophobicContact CB-CG2 4.45Å; V95-I110 HydrophobicContact CG1-CG1 4.26Å; Y104-I110 WeakPolarHBondContact O-CD1 3.27Å; N106-I110 WeakPolarHBondContact O-CG1 3.37Å; N106-I110 PolarHBondContact O-N 3.44Å; N106-I110 VanDerWaalsContact O-N 3.14Å; M107-I110 PolarHBondContact O-N 2.88Å; E108-I110 VanDerWaalsContact C-N 3.33Å; E108-I110 PolarHBondContact O-N 3.07Å; I110-E112 VanDerWaalsContact C-N 3.26Å; I110-E112 PolarHBondContact O-N 3.27Å; I110-A113 WeakPolarHBondContact O-CB 3.45Å; I110-A113 PolarHBondContact O-N 2.72Å; I110-I114 HydrophobicContact CG2-CD1 4.05Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.21Å; I110-I114 PolarHBondContact O-N 3.3Å; I110-L129 HydrophobicContact CD1-CD1 3.59Å; I110-F135 HydrophobicContact CB-CE2 4.42Å; I110-F135 HydrophobicContact CG2-CE2 3.87Å; I110-F135 HydrophobicContact CG2-CZ 3.77Å
111	M	98.5	Very high	97.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-39.4	174.8	-68.3	-58	-62.6	0	0	111.1	M107 E108 I114 R115 F135 R138 L139 E142	M107-M111 WeakPolarHBondContact O-CB 3.46Å; M107-M111 WeakPolarHBondContact O-CG 3.44Å; M107-M111 PolarHBondContact O-N 2.99Å; E108-M111 PolarHBondContact O-N 2.73Å; M111-I114 WeakPolarHBondContact O-CB 3.31Å; M111-I114 PolarHBondContact O-N 3.12Å; M111-I114 HydrophobicContact SD-CD1 4.18Å; M111-R115 WeakPolarHBondContact O-CG 3.39Å; M111-R115 PolarHBondContact O-N 3.1Å; M111-R115 VanDerWaalsContact O-N 3.11Å; M111-F135 HydrophobicContact SD-CE2 4.18Å; M111-R138 HydrophobicContact CE-CB 4.21Å; M111-R138 HydrophobicContact SD-CB 4.14Å; M111-L139 HydrophobicContact CE-CD2 4.32Å; M111-L139 HydrophobicContact SD-CD2 3.66Å; M111-L139 HydrophobicContact SD-CG 4.26Å; M111-E142 HydrophobicContact CE-CB 4.24Å; M111-E142 HydrophobicContact CE-CG 3.83Å; M111-E142 WeakPolarHBondContact CE-OE1 3.19Å
112	E	98.4	Very high	97.8	Very high	81 Å²	81	41.8 Å²	41.8	38%	0.379	21%	0.211	S	C	.	.	H	α-helix	trans	-66.2	-42.6	175.1	-175.3	54.7	-155.1	0	0	112.5	E108 A109 I110 I114 R115 Q116	E108-E112 WeakPolarHBondContact O-CB 3.2Å; E108-E112 PolarHBondContact O-N 3.29Å; A109-E112 PolarHBondContact O-N 2.79Å; I110-E112 VanDerWaalsContact C-N 3.26Å; I110-E112 PolarHBondContact O-N 3.27Å; E112-I114 VanDerWaalsContact C-N 3.27Å; E112-I114 PolarHBondContact O-N 3.46Å; E112-R115 PolarHBondContact O-N 3.14Å; E112-R115 IonicContact OE2-NH1 3.79Å; E112-R115 PolarHBondContact OE2-NH1 2.95Å; E112-Q116 VanDerWaalsContact O-CG 3.31Å; E112-Q116 WeakPolarHBondContact O-CG 3.27Å; E112-Q116 PolarHBondContact O-N 3.28Å; E112-Q116 PolarHBondContact OE1-NE2 3.04Å
113	A	98.5	Very high	98	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-38	173.9	0	0	0	0	0	112.4	L50 V75 V93 V95 A109 I110 Q116 T117	L50-A113 HydrophobicContact CD1-CB 4.15Å; V75-A113 HydrophobicContact CG1-CB 4.33Å; V93-A113 HydrophobicContact CB-CB 3.95Å; V93-A113 HydrophobicContact CG1-CB 3.73Å; V93-A113 HydrophobicContact CG2-CB 4.26Å; V95-A113 HydrophobicContact CG1-CB 4.32Å; A109-A113 PolarHBondContact O-N 3.12Å; I110-A113 WeakPolarHBondContact O-CB 3.45Å; I110-A113 PolarHBondContact O-N 2.72Å; A113-Q116 PolarHBondContact O-N 3.47Å; A113-T117 WeakPolarHBondContact O-CB 3.47Å; A113-T117 VanDerWaalsContact O-CG2 3.27Å; A113-T117 WeakPolarHBondContact O-CG2 3.19Å; A113-T117 PolarHBondContact O-N 3.01Å; A113-T117 PolarHBondContact O-OG1 3.46Å
114	I	98.5	Very high	98.1	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-46.7	175.5	-68.7	164.9	0	0	0	110.9	L50 I110 M111 E112 T117 G118 A119 V122 L139 V144	L50-I114 HydrophobicContact CD1-CG1 3.8Å; L50-I114 HydrophobicContact CD2-CG1 4.33Å; L50-I114 HydrophobicContact CG-CG1 4.46Å; I110-I114 HydrophobicContact CG2-CD1 4.05Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.21Å; I110-I114 PolarHBondContact O-N 3.3Å; M111-I114 WeakPolarHBondContact O-CB 3.31Å; M111-I114 PolarHBondContact O-N 3.12Å; M111-I114 HydrophobicContact SD-CD1 4.18Å; E112-I114 VanDerWaalsContact C-N 3.27Å; E112-I114 PolarHBondContact O-N 3.46Å; I114-T117 PolarHBondContact O-N 2.98Å; I114-T117 PolarHBondContact O-OG1 2.89Å; I114-G118 PolarHBondContact O-N 3.29Å; I114-A119 PolarHBondContact O-N 2.87Å; I114-V122 HydrophobicContact CD1-CG2 3.44Å; I114-V122 VanDerWaalsContact CD1-CG2 3.44Å; I114-V122 HydrophobicContact CG1-CG2 3.99Å; I114-L139 HydrophobicContact CD1-CD2 3.35Å; I114-V144 HydrophobicContact CG2-CB 4.46Å; I114-V144 HydrophobicContact CG2-CG1 4.14Å; I114-V144 HydrophobicContact CG2-CG2 3.72Å
115	R	98.3	Very high	98.1	Very high	119 Å²	119	35.5 Å²	35.5	45%	0.449	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-41.9	178.1	-66.8	178.4	-155.9	123.5	-2.4	112.2	M111 E112 E142	M111-R115 WeakPolarHBondContact O-CG 3.39Å; M111-R115 PolarHBondContact O-N 3.1Å; M111-R115 VanDerWaalsContact O-N 3.11Å; E112-R115 PolarHBondContact O-N 3.14Å; E112-R115 IonicContact OE2-NH1 3.79Å; E112-R115 PolarHBondContact OE2-NH1 2.95Å; R115-E142 WeakPolarHBondContact CG-OE2 3.35Å; R115-E142 IonicContact CZ-OE1 3.28Å; R115-E142 IonicContact CZ-OE2 3.03Å; R115-E142 IonicContact NE-OE1 3.35Å; R115-E142 PolarHBondContact NE-OE1 3.12Å; R115-E142 IonicContact NE-OE2 3.34Å; R115-E142 PolarHBondContact NE-OE2 3.24Å; R115-E142 IonicContact NH2-OE1 2.76Å; R115-E142 PolarHBondContact NH2-OE1 3.35Å; R115-E142 IonicContact NH2-OE2 3.04Å
116	Q	98.1	Very high	98	Very high	123 Å²	123	33.8 Å²	33.8	58%	0.575	17%	0.174	S	C	*	.	H	α-helix	trans	-65.6	-40.2	-179.8	-71.9	175.4	7.9	0	0	112.6	E112 A113	E112-Q116 VanDerWaalsContact O-CG 3.31Å; E112-Q116 WeakPolarHBondContact O-CG 3.27Å; E112-Q116 PolarHBondContact O-N 3.28Å; E112-Q116 PolarHBondContact OE1-NE2 3.04Å; A113-Q116 PolarHBondContact O-N 3.47Å
117	T	98.3	Very high	97.8	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-90.7	-17.8	-174.1	59.5	0	0	0	0	113.3	K48 V73 V93 A113 I114 A119	K48-T117 WeakPolarHBondContact CD-O 3.46Å; K48-T117 PolarHBondContact NZ-O 3.32Å; V73-T117 HydrophobicContact CG1-CG2 3.63Å; V73-T117 HydrophobicContact CG2-CG2 4.24Å; V93-T117 HydrophobicContact CG2-CG2 3.64Å; A113-T117 WeakPolarHBondContact O-CB 3.47Å; A113-T117 VanDerWaalsContact O-CG2 3.27Å; A113-T117 WeakPolarHBondContact O-CG2 3.19Å; A113-T117 PolarHBondContact O-N 3.01Å; A113-T117 PolarHBondContact O-OG1 3.46Å; I114-T117 PolarHBondContact O-N 2.98Å; I114-T117 PolarHBondContact O-OG1 2.89Å; T117-A119 VanDerWaalsContact C-N 3.34Å
118	G	97.9	Very high	97.6	Very high	49 Å²	49	34 Å²	34	51%	0.505	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	27.6	-176.5	0	0	0	0	0	113.4	I114 Q120	I114-G118 PolarHBondContact O-N 3.29Å; G118-Q120 PolarHBondContact O-N 2.89Å
119	A	98.4	Very high	97.5	Very high	5 Å²	5	29 Å²	29	4%	0.041	16%	0.157	C	C	.	.			trans	-61.8	130.6	178.2	0	0	0	0	0	111.2	L50 I114 T117	L50-A119 HydrophobicContact CB-CB 3.65Å; I114-A119 PolarHBondContact O-N 2.87Å; T117-A119 VanDerWaalsContact C-N 3.34Å
120	Q	98.4	Very high	97.4	Very high	64 Å²	64	27.9 Å²	27.9	30%	0.299	15%	0.149	S	C	.	.	S	Bend	trans	-87.1	-21.6	-176.3	-65.1	172.6	-14.5	0	0	112.5	F46 E47 K48 G118 T145	F46-Q120 HydrophobicContact CD1-CB 3.94Å; E47-Q120 PolarHBondContact OE2-NE2 3.38Å; K48-Q120 PolarHBondContact O-N 2.9Å; G118-Q120 PolarHBondContact O-N 2.89Å; Q120-T145 PolarHBondContact O-N 2.87Å
121	A	98.6	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.4	178.1	0	0	0	0	0	111.2	F46 I49 L50 T145 I147	F46-A121 HydrophobicContact CD1-CB 3.83Å; F46-A121 HydrophobicContact CD2-CB 4.25Å; F46-A121 HydrophobicContact CE1-CB 3.76Å; F46-A121 HydrophobicContact CE2-CB 4.17Å; F46-A121 HydrophobicContact CG-CB 4.08Å; F46-A121 HydrophobicContact CZ-CB 3.93Å; I49-A121 WeakPolarHBondContact CA-O 3.49Å; I49-A121 HydrophobicContact CG1-CB 4.26Å; L50-A121 PolarHBondContact N-O 2.95Å; A121-T145 CarbonylContact C-O 3.5Å; A121-T145 WeakPolarHBondContact CA-O 3.35Å; A121-T145 VanDerWaalsContact CB-O 3.28Å; A121-T145 WeakPolarHBondContact CB-O 3.39Å; A121-I147 HydrophobicContact CB-CD1 3.82Å; A121-I147 HydrophobicContact CB-CG1 3.98Å
122	V	98.7	Very high	96.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.8	177.3	176.2	0	0	0	0	109.5	L50 A52 I114 F135 L139 V144 T145 I147	L50-V122 HydrophobicContact CB-CG2 4.36Å; L50-V122 HydrophobicContact CD2-CG1 4.16Å; L50-V122 HydrophobicContact CD2-CG2 4.23Å; L50-V122 CarbonylContact O-C 3.53Å; L50-V122 VanDerWaalsContact O-CA 3.25Å; L50-V122 WeakPolarHBondContact O-CA 3.5Å; A52-V122 HydrophobicContact CB-CG1 3.61Å; I114-V122 HydrophobicContact CD1-CG2 3.44Å; I114-V122 VanDerWaalsContact CD1-CG2 3.44Å; I114-V122 HydrophobicContact CG1-CG2 3.99Å; V122-F135 HydrophobicContact CG1-CE1 4.07Å; V122-F135 HydrophobicContact CG1-CZ 4.15Å; V122-L139 HydrophobicContact CB-CD1 3.96Å; V122-L139 HydrophobicContact CB-CD2 4.42Å; V122-L139 HydrophobicContact CG1-CD1 4.4Å; V122-L139 HydrophobicContact CG2-CD1 4.18Å; V122-L139 HydrophobicContact CG2-CD2 3.73Å; V122-V144 HydrophobicContact CG2-CG1 3.89Å; V122-T145 PolarHBondContact N-O 2.82Å; V122-I147 WeakPolarHBondContact O-CB 3.1Å; V122-I147 PolarHBondContact O-N 2.98Å
123	H	98.8	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116	167.2	-163.3	-69.2	0	0	0	109.2	I49 L50 I51 A52 V61 G125 I147	I49-H123 HydrophobicContact CG2-CB 4.15Å; L50-H123 PolarHBondContact O-N 2.98Å; I51-H123 WeakPolarHBondContact CA-O 3.27Å; A52-H123 PolarHBondContact N-O 3.41Å; V61-H123 HydrophobicContact CG1-CB 3.86Å; V61-H123 VanDerWaalsContact CG2-CE1 3.49Å; V61-H123 WeakPolarHBondContact CG2-CE1 3.46Å; V61-H123 WeakPolarHBondContact CG2-ND1 3.35Å; H123-G125 VanDerWaalsContact C-N 3.34Å; H123-G125 PolarHBondContact ND1-N 2.94Å; H123-I147 HydrophobicContact CB-CB 4.45Å; H123-I147 HydrophobicContact CB-CD1 4.11Å
124	P	97.9	Very high	96.3	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.026	19%	0.194	C	C	.	.			trans	-83.2	-13.1	-176.3	36.6	-39.7	0	0	0	113.2	N53 Y126 F146 I147	N53-P124 PolarHBondContact ND2-O 3.37Å; P124-Y126 PolarHBondContact O-N 3.25Å; P124-F146 HydrophobicContact CB-CE2 3.87Å; P124-F146 HydrophobicContact CB-CZ 4.24Å; P124-F146 HydrophobicContact CG-CE2 3.63Å; P124-F146 HydrophobicContact CG-CZ 3.67Å; P124-I147 WeakPolarHBondContact CD-O 3.43Å
125	G	96.9	Very high	96.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.193	C	C	.	.			trans	67	-127	-171.4	0	0	0	0	0	110	H123	H123-G125 VanDerWaalsContact C-N 3.34Å; H123-G125 PolarHBondContact ND1-N 2.94Å
126	Y	95.1	Very high	96.1	Very high	31 Å²	31	32.1 Å²	32.1	12%	0.122	17%	0.174	C	C	.	.	S	Bend	trans	-133.4	160.5	174.5	53.8	-113.5	0	0	0	111.2	N53 E56 I57 P124 L337 V339	N53-Y126 PolarHBondContact ND2-N 3.12Å; N53-Y126 PolarHBondContact ND2-O 3.3Å; E56-Y126 PolarHBondContact OE1-OH 2.88Å; I57-Y126 HydrophobicContact CB-CD1 4.16Å; I57-Y126 HydrophobicContact CB-CE1 3.44Å; I57-Y126 VanDerWaalsContact CB-CE1 3.44Å; I57-Y126 HydrophobicContact CB-CE2 4.27Å; I57-Y126 VanDerWaalsContact CB-CZ 3.48Å; I57-Y126 WeakPolarHBondContact CB-OH 3.35Å; I57-Y126 HydrophobicContact CD1-CD1 3.84Å; I57-Y126 HydrophobicContact CD1-CE1 3.59Å; I57-Y126 HydrophobicContact CG1-CD1 3.71Å; I57-Y126 HydrophobicContact CG1-CE1 3.46Å; I57-Y126 VanDerWaalsContact CG1-CE1 3.46Å; I57-Y126 HydrophobicContact CG1-CG 4.44Å; I57-Y126 HydrophobicContact CG2-CE1 4.09Å; I57-Y126 HydrophobicContact CG2-CE2 4.02Å; P124-Y126 PolarHBondContact O-N 3.25Å; Y126-L337 WeakPolarHBondContact CB-O 3.43Å; Y126-V339 HydrophobicContact CD1-CG2 4Å; Y126-V339 HydrophobicContact CD2-CG2 3.92Å; Y126-V339 HydrophobicContact CE1-CB 4.3Å; Y126-V339 HydrophobicContact CE1-CG1 4.43Å; Y126-V339 HydrophobicContact CE1-CG2 3.91Å; Y126-V339 HydrophobicContact CE2-CG2 3.87Å; Y126-V339 HydrophobicContact CG-CG2 4.02Å
127	G	92.1	Very high	96	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	17%	0.174	S	C	.	.	S	Bend	trans	62.5	-163.5	-170	0	0	0	0	0	112	L129 S130	G127-L129 PolarHBondContact O-N 2.72Å; G127-L129 VanDerWaalsContact O-N 3.11Å; G127-S130 PolarHBondContact N-OG 2.88Å; G127-S130 VanDerWaalsContact O-CB 3.3Å; G127-S130 WeakPolarHBondContact O-CB 3.31Å; G127-S130 PolarHBondContact O-N 3.36Å; G127-S130 PolarHBondContact O-OG 3.06Å
128	F	94.8	Very high	95.9	Very high	51 Å²	51	35.5 Å²	35.5	22%	0.224	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-115.9	-177.7	-60.8	-70.3	0	0	0	113.4	N53 R54 T100 Y104 L105	N53-F128 VanDerWaalsContact OD1-CD2 3.28Å; N53-F128 WeakPolarHBondContact OD1-CD2 3.35Å; N53-F128 WeakPolarHBondContact OD1-CE2 3.26Å; R54-F128 HydrophobicContact CG-CE2 4.09Å; R54-F128 HydrophobicContact CG-CZ 4.2Å; T100-F128 HydrophobicContact CG2-CE1 3.64Å; T100-F128 HydrophobicContact CG2-CZ 4.29Å; Y104-F128 VanDerWaalsContact CB-CD1 3.47Å; Y104-F128 VanDerWaalsContact CB-CE1 3.43Å; Y104-F128 HydrophobicContact CD2-CE1 4.25Å; Y104-F128 HydrophobicContact CD2-CZ 4.3Å; Y104-F128 HydrophobicContact CG-CD1 4.44Å; Y104-F128 HydrophobicContact CG-CE1 4.03Å; Y104-F128 HydrophobicContact CG-CZ 4.18Å; L105-F128 HydrophobicContact CD2-CB 4.15Å; L105-F128 HydrophobicContact CD2-CD1 4.08Å; L105-F128 HydrophobicContact CG-CD1 4.22Å
129	L	95.5	Very high	95.9	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.2	-176.1	-61.1	177.2	0	0	0	113.6	L105 M107 I110 G127 E131 N132 F135	L105-L129 HydrophobicContact CD2-CD2 4.13Å; L105-L129 HydrophobicContact CD2-CG 4.45Å; M107-L129 HydrophobicContact CE-CD2 3.8Å; M107-L129 HydrophobicContact CG-CD1 4.08Å; M107-L129 HydrophobicContact CG-CD2 4.07Å; I110-L129 HydrophobicContact CD1-CD1 3.59Å; G127-L129 PolarHBondContact O-N 2.72Å; G127-L129 VanDerWaalsContact O-N 3.11Å; L129-E131 PolarHBondContact O-N 3.42Å; L129-N132 HydrophobicContact CB-CB 4.41Å; L129-N132 HydrophobicContact CD2-CB 4.13Å; L129-N132 PolarHBondContact O-N 3.19Å; L129-N132 VanDerWaalsContact O-N 3.16Å; L129-F135 HydrophobicContact CB-CB 4.35Å; L129-F135 HydrophobicContact CB-CD1 3.63Å; L129-F135 HydrophobicContact CB-CE1 4.07Å; L129-F135 HydrophobicContact CB-CG 4.02Å; L129-F135 HydrophobicContact CD1-CD1 4.07Å; L129-F135 HydrophobicContact CD1-CD2 3.83Å; L129-F135 HydrophobicContact CD1-CE1 4.15Å; L129-F135 HydrophobicContact CD1-CE2 3.94Å; L129-F135 HydrophobicContact CD1-CG 3.89Å; L129-F135 HydrophobicContact CD1-CZ 4.1Å; L129-F135 HydrophobicContact CG-CD1 4.44Å; L129-F135 HydrophobicContact CG-CG 4.43Å
130	S	95.3	Very high	95.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.7	-176.4	57.2	0	0	0	0	114.7	G127 F146	G127-S130 PolarHBondContact N-OG 2.88Å; G127-S130 VanDerWaalsContact O-CB 3.3Å; G127-S130 WeakPolarHBondContact O-CB 3.31Å; G127-S130 PolarHBondContact O-N 3.36Å; G127-S130 PolarHBondContact O-OG 3.06Å; S130-F146 WeakPolarHBondContact O-CZ 3.37Å
131	E	91.9	Very high	95.6	Very high	73 Å²	73	37.5 Å²	37.5	34%	0.341	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	20.7	179.9	-56.8	-177.1	103.6	0	0	110.8	L129 I154 T335 R336	L129-E131 PolarHBondContact O-N 3.42Å; E131-I154 WeakPolarHBondContact O-CG2 3.35Å; E131-T335 PolarHBondContact OE1-N 3.28Å; E131-T335 PolarHBondContact OE1-OG1 3.19Å; E131-R336 HydrophobicContact CG-CB 4.23Å; E131-R336 HydrophobicContact CG-CG 4.08Å; E131-R336 IonicContact OE1-NE 2.82Å; E131-R336 WeakPolarHBondContact OE2-CD 3.21Å; E131-R336 IonicContact OE2-NE 3.81Å; E131-R336 PolarHBondContact OE2-NE 3.15Å
132	N	91.9	Very high	95.5	Very high	50 Å²	50	41.3 Å²	41.3	27%	0.267	22%	0.224	S	C	.	.			trans	-95.6	105	-179	-167.3	-62.8	0	0	0	111.4	M107 L129 E134 F135 A136	M107-N132 HydrophobicContact CE-CB 4.44Å; M107-N132 WeakPolarHBondContact CE-ND2 3.31Å; M107-N132 WeakPolarHBondContact CE-OD1 3.43Å; L129-N132 HydrophobicContact CB-CB 4.41Å; L129-N132 HydrophobicContact CD2-CB 4.13Å; L129-N132 PolarHBondContact O-N 3.19Å; L129-N132 VanDerWaalsContact O-N 3.16Å; N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 2.7Å; N132-E134 WeakPolarHBondContact OD1-CB 3.46Å; N132-E134 PolarHBondContact OD1-N 3.42Å; N132-F135 HydrophobicContact CB-CB 4.11Å; N132-F135 PolarHBondContact O-N 3.47Å; N132-F135 PolarHBondContact OD1-N 2.88Å; N132-A136 PolarHBondContact O-N 3.26Å
133	K	92.5	Very high	95.4	Very high	98 Å²	98	44.3 Å²	44.3	43%	0.426	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-34.3	-179.1	72.1	-178	-176.3	-178.5	0	114.1	K137 I154 Q155	K133-K137 WeakPolarHBondContact O-CB 3.31Å; K133-K137 PolarHBondContact O-N 3.41Å; K133-I154 HydrophobicContact CB-CG2 4.19Å; K133-Q155 HydrophobicContact CD-CB 4.09Å; K133-Q155 HydrophobicContact CD-CG 4.33Å; K133-Q155 VanDerWaalsContact NZ-OE1 3.12Å
134	E	94.8	Very high	95.4	Very high	70 Å²	70	45 Å²	45	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-71.8	-39	-177.5	-179.4	54.3	-149.9	0	0	110.3	M107 N132 K137 R138	M107-E134 HydrophobicContact SD-CG 4.41Å; N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 2.7Å; N132-E134 WeakPolarHBondContact OD1-CB 3.46Å; N132-E134 PolarHBondContact OD1-N 3.42Å; E134-K137 PolarHBondContact O-N 3.31Å; E134-R138 WeakPolarHBondContact O-CG 3.3Å; E134-R138 PolarHBondContact O-N 2.84Å; E134-R138 IonicContact OE1-CZ 2.61Å; E134-R138 IonicContact OE1-NE 3.5Å; E134-R138 PolarHBondContact OE1-NE 3.2Å; E134-R138 IonicContact OE1-NH2 2.82Å
135	F	95.9	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-50	173.9	-177	-119.8	0	0	0	112	A52 M107 I110 M111 V122 L129 N132 K137 R138 L139 F146	A52-F135 HydrophobicContact CB-CZ 4.46Å; M107-F135 HydrophobicContact CB-CD2 4.34Å; M107-F135 HydrophobicContact CE-CB 4.26Å; M107-F135 HydrophobicContact CG-CB 4.43Å; M107-F135 HydrophobicContact CG-CD2 4.02Å; M107-F135 HydrophobicContact SD-CB 4.11Å; I110-F135 HydrophobicContact CB-CE2 4.42Å; I110-F135 HydrophobicContact CG2-CE2 3.87Å; I110-F135 HydrophobicContact CG2-CZ 3.77Å; M111-F135 HydrophobicContact SD-CE2 4.18Å; V122-F135 HydrophobicContact CG1-CE1 4.07Å; V122-F135 HydrophobicContact CG1-CZ 4.15Å; L129-F135 HydrophobicContact CB-CB 4.35Å; L129-F135 HydrophobicContact CB-CD1 3.63Å; L129-F135 HydrophobicContact CB-CE1 4.07Å; L129-F135 HydrophobicContact CB-CG 4.02Å; L129-F135 HydrophobicContact CD1-CD1 4.07Å; L129-F135 HydrophobicContact CD1-CD2 3.83Å; L129-F135 HydrophobicContact CD1-CE1 4.15Å; L129-F135 HydrophobicContact CD1-CE2 3.94Å; L129-F135 HydrophobicContact CD1-CG 3.89Å; L129-F135 HydrophobicContact CD1-CZ 4.1Å; L129-F135 HydrophobicContact CG-CD1 4.44Å; L129-F135 HydrophobicContact CG-CG 4.43Å; N132-F135 HydrophobicContact CB-CB 4.11Å; N132-F135 PolarHBondContact O-N 3.47Å; N132-F135 PolarHBondContact OD1-N 2.88Å; F135-K137 VanDerWaalsContact C-N 3.26Å; F135-K137 PolarHBondContact O-N 3.44Å; F135-R138 PolarHBondContact O-N 3.41Å; F135-R138 VanDerWaalsContact O-N 3.14Å; F135-L139 HydrophobicContact CD1-CD1 4Å; F135-L139 HydrophobicContact CE1-CD1 3.64Å; F135-L139 HydrophobicContact CE1-CG 4.37Å; F135-L139 HydrophobicContact CE2-CD1 4.4Å; F135-L139 HydrophobicContact CE2-CD2 4.26Å; F135-L139 HydrophobicContact CE2-CG 4.28Å; F135-L139 HydrophobicContact CZ-CD1 3.86Å; F135-L139 HydrophobicContact CZ-CD2 4.13Å; F135-L139 HydrophobicContact CZ-CG 4.18Å; F135-L139 WeakPolarHBondContact O-CG 3.44Å; F135-L139 PolarHBondContact O-N 2.81Å; F135-F146 HydrophobicContact CD1-CE2 4.21Å; F135-F146 HydrophobicContact CE1-CE2 4.43Å
136	A	95.7	Very high	95.5	Very high	6 Å²	6	47.6 Å²	47.6	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-36.8	177.2	0	0	0	0	0	112.6	N132 A140 F146 T151 I154	N132-A136 PolarHBondContact O-N 3.26Å; A136-A140 PolarHBondContact O-N 3.44Å; A136-F146 HydrophobicContact CB-CB 4.4Å; A136-F146 HydrophobicContact CB-CD1 4.01Å; A136-F146 HydrophobicContact CB-CD2 4.26Å; A136-F146 HydrophobicContact CB-CE1 4.29Å; A136-F146 HydrophobicContact CB-CG 3.98Å; A136-T151 HydrophobicContact CB-CG2 3.76Å; A136-I154 HydrophobicContact CB-CD1 4.36Å
137	K	95.9	Very high	95.6	Very high	129 Å²	129	46.1 Å²	46.1	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-65.3	-42.9	174.9	-176.5	-175.5	173.2	-167.5	0	112.6	K133 E134 F135 A140 A141 T151	K133-K137 WeakPolarHBondContact O-CB 3.31Å; K133-K137 PolarHBondContact O-N 3.41Å; E134-K137 PolarHBondContact O-N 3.31Å; F135-K137 VanDerWaalsContact C-N 3.26Å; F135-K137 PolarHBondContact O-N 3.44Å; K137-A140 PolarHBondContact O-N 2.9Å; K137-A141 PolarHBondContact O-N 3.16Å; K137-A141 VanDerWaalsContact O-N 3.1Å; K137-T151 HydrophobicContact CB-CG2 4.26Å
138	R	96.9	Very high	95.8	Very high	75 Å²	75	45 Å²	45	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-65.7	-40.6	178.2	-69.4	-176.1	-152.3	-164.8	16.1	112.2	E108 M111 E134 F135 A140 A141 E142	E108-R138 IonicContact OE1-CZ 3.75Å; E108-R138 IonicContact OE1-NH1 2.62Å; E108-R138 PolarHBondContact OE1-NH1 3.19Å; M111-R138 HydrophobicContact CE-CB 4.21Å; M111-R138 HydrophobicContact SD-CB 4.14Å; E134-R138 WeakPolarHBondContact O-CG 3.3Å; E134-R138 PolarHBondContact O-N 2.84Å; E134-R138 IonicContact OE1-CZ 2.61Å; E134-R138 IonicContact OE1-NE 3.5Å; E134-R138 PolarHBondContact OE1-NE 3.2Å; E134-R138 IonicContact OE1-NH2 2.82Å; F135-R138 PolarHBondContact O-N 3.41Å; F135-R138 VanDerWaalsContact O-N 3.14Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 3.33Å; R138-A141 WeakPolarHBondContact O-CB 3.45Å; R138-A141 PolarHBondContact O-N 3.48Å; R138-E142 PolarHBondContact O-N 2.99Å
139	L	97.6	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-47.9	173.8	-68.5	174.8	0	0	0	111.7	M111 I114 V122 F135 A141 E142 G143 V144 F146	M111-L139 HydrophobicContact CE-CD2 4.32Å; M111-L139 HydrophobicContact SD-CD2 3.66Å; M111-L139 HydrophobicContact SD-CG 4.26Å; I114-L139 HydrophobicContact CD1-CD2 3.35Å; V122-L139 HydrophobicContact CB-CD1 3.96Å; V122-L139 HydrophobicContact CB-CD2 4.42Å; V122-L139 HydrophobicContact CG1-CD1 4.4Å; V122-L139 HydrophobicContact CG2-CD1 4.18Å; V122-L139 HydrophobicContact CG2-CD2 3.73Å; F135-L139 HydrophobicContact CD1-CD1 4Å; F135-L139 HydrophobicContact CE1-CD1 3.64Å; F135-L139 HydrophobicContact CE1-CG 4.37Å; F135-L139 HydrophobicContact CE2-CD1 4.4Å; F135-L139 HydrophobicContact CE2-CD2 4.26Å; F135-L139 HydrophobicContact CE2-CG 4.28Å; F135-L139 HydrophobicContact CZ-CD1 3.86Å; F135-L139 HydrophobicContact CZ-CD2 4.13Å; F135-L139 HydrophobicContact CZ-CG 4.18Å; F135-L139 WeakPolarHBondContact O-CG 3.44Å; F135-L139 PolarHBondContact O-N 2.81Å; L139-A141 VanDerWaalsContact C-N 3.28Å; L139-A141 PolarHBondContact O-N 3.24Å; L139-E142 CarbonylContact O-C 3.56Å; L139-E142 PolarHBondContact O-N 2.93Å; L139-G143 PolarHBondContact O-N 3.09Å; L139-V144 CarbonylContact C-O 3.57Å; L139-V144 VanDerWaalsContact C-O 3.31Å; L139-V144 HydrophobicContact CB-CB 4.37Å; L139-V144 HydrophobicContact CD2-CB 4.19Å; L139-V144 HydrophobicContact CD2-CG1 3.99Å; L139-V144 PolarHBondContact O-N 3Å; L139-F146 HydrophobicContact CD1-CB 4.06Å; L139-F146 HydrophobicContact CD1-CD2 3.61Å; L139-F146 HydrophobicContact CD1-CG 4.3Å
140	A	95.4	Very high	95.6	Very high	72 Å²	72	46.3 Å²	46.3	60%	0.595	27%	0.265	S	S	*	.	H	α-helix	trans	-61.3	-36	178.1	0	0	0	0	0	112.6	A136 K137 R138 E142 G143	A136-A140 PolarHBondContact O-N 3.44Å; K137-A140 PolarHBondContact O-N 2.9Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 3.33Å; A140-E142 PolarHBondContact O-N 2.84Å; A140-G143 PolarHBondContact O-N 2.91Å; A140-G143 VanDerWaalsContact O-N 3.12Å
141	A	96.1	Very high	95.5	Very high	88 Å²	88	49 Å²	49	73%	0.727	28%	0.282	S	S	*	.	H	α-helix	trans	-64.4	-23.9	176.5	0	0	0	0	0	113.3	K137 R138 L139	K137-A141 PolarHBondContact O-N 3.16Å; K137-A141 VanDerWaalsContact O-N 3.1Å; R138-A141 WeakPolarHBondContact O-CB 3.45Å; R138-A141 PolarHBondContact O-N 3.48Å; L139-A141 VanDerWaalsContact C-N 3.28Å; L139-A141 PolarHBondContact O-N 3.24Å
142	E	96.4	Very high	95.5	Very high	80 Å²	80	50.7 Å²	50.7	37%	0.374	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	7.8	175.8	-65.3	-169.1	-156.6	0	0	113.3	M111 R115 R138 L139 A140 V144	M111-E142 HydrophobicContact CE-CB 4.24Å; M111-E142 HydrophobicContact CE-CG 3.83Å; M111-E142 WeakPolarHBondContact CE-OE1 3.19Å; R115-E142 WeakPolarHBondContact CG-OE2 3.35Å; R115-E142 IonicContact CZ-OE1 3.28Å; R115-E142 IonicContact CZ-OE2 3.03Å; R115-E142 IonicContact NE-OE1 3.35Å; R115-E142 PolarHBondContact NE-OE1 3.12Å; R115-E142 IonicContact NE-OE2 3.34Å; R115-E142 PolarHBondContact NE-OE2 3.24Å; R115-E142 IonicContact NH2-OE1 2.76Å; R115-E142 PolarHBondContact NH2-OE1 3.35Å; R115-E142 IonicContact NH2-OE2 3.04Å; R138-E142 PolarHBondContact O-N 2.99Å; L139-E142 CarbonylContact O-C 3.56Å; L139-E142 PolarHBondContact O-N 2.93Å; A140-E142 PolarHBondContact O-N 2.84Å; E142-V144 HydrophobicContact CB-CG2 4.29Å; E142-V144 PolarHBondContact O-N 2.9Å
143	G	96.5	Very high	95.6	Very high	64 Å²	64	48.4 Å²	48.4	66%	0.66	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	15.7	-178.5	0	0	0	0	0	114	L139 A140	L139-G143 PolarHBondContact O-N 3.09Å; A140-G143 PolarHBondContact O-N 2.91Å; A140-G143 VanDerWaalsContact O-N 3.12Å
144	V	98.1	Very high	95.6	Very high	14 Å²	14	44 Å²	44	9%	0.085	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-92.6	128	178.6	-177.6	0	0	0	0	109.5	I114 V122 L139 E142 F146	I114-V144 HydrophobicContact CG2-CB 4.46Å; I114-V144 HydrophobicContact CG2-CG1 4.14Å; I114-V144 HydrophobicContact CG2-CG2 3.72Å; V122-V144 HydrophobicContact CG2-CG1 3.89Å; L139-V144 CarbonylContact C-O 3.57Å; L139-V144 VanDerWaalsContact C-O 3.31Å; L139-V144 HydrophobicContact CB-CB 4.37Å; L139-V144 HydrophobicContact CD2-CB 4.19Å; L139-V144 HydrophobicContact CD2-CG1 3.99Å; L139-V144 PolarHBondContact O-N 3Å; E142-V144 HydrophobicContact CB-CG2 4.29Å; E142-V144 PolarHBondContact O-N 2.9Å; V144-F146 PolarHBondContact O-N 2.92Å
145	T	98.1	Very high	95.4	Very high	39 Å²	39	45 Å²	45	24%	0.239	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.8	-175.9	-59	0	0	0	0	111	F46 Q120 A121 V122 A360	F46-T145 HydrophobicContact CE1-CG2 4.49Å; F46-T145 HydrophobicContact CZ-CG2 4.02Å; Q120-T145 PolarHBondContact O-N 2.87Å; A121-T145 CarbonylContact C-O 3.5Å; A121-T145 WeakPolarHBondContact CA-O 3.35Å; A121-T145 VanDerWaalsContact CB-O 3.28Å; A121-T145 WeakPolarHBondContact CB-O 3.39Å; V122-T145 PolarHBondContact N-O 2.82Å; T145-A360 HydrophobicContact CG2-CB 3.94Å
146	F	98.2	Very high	95.2	Very high	21 Å²	21	45.1 Å²	45.1	9%	0.092	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.2	167.7	-175.9	-108.8	0	0	0	110	P124 S130 F135 A136 L139 V144 G148 I154	P124-F146 HydrophobicContact CB-CE2 3.87Å; P124-F146 HydrophobicContact CB-CZ 4.24Å; P124-F146 HydrophobicContact CG-CE2 3.63Å; P124-F146 HydrophobicContact CG-CZ 3.67Å; S130-F146 WeakPolarHBondContact O-CZ 3.37Å; F135-F146 HydrophobicContact CD1-CE2 4.21Å; F135-F146 HydrophobicContact CE1-CE2 4.43Å; A136-F146 HydrophobicContact CB-CB 4.4Å; A136-F146 HydrophobicContact CB-CD1 4.01Å; A136-F146 HydrophobicContact CB-CD2 4.26Å; A136-F146 HydrophobicContact CB-CE1 4.29Å; A136-F146 HydrophobicContact CB-CG 3.98Å; L139-F146 HydrophobicContact CD1-CB 4.06Å; L139-F146 HydrophobicContact CD1-CD2 3.61Å; L139-F146 HydrophobicContact CD1-CG 4.3Å; V144-F146 PolarHBondContact O-N 2.92Å; F146-G148 VanDerWaalsContact C-N 3.34Å; F146-G148 PolarHBondContact O-N 3.22Å; F146-G148 VanDerWaalsContact O-N 3.12Å; F146-I154 HydrophobicContact CE1-CD1 3.91Å; F146-I154 HydrophobicContact CZ-CD1 4.42Å
147	I	98.3	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-86.8	80.3	178.3	-55.1	168.9	0	0	0	108.5	I49 A121 V122 H123 P124 M356 I357 A360	I49-I147 HydrophobicContact CD1-CD1 3.77Å; I49-I147 HydrophobicContact CG1-CD1 4.26Å; I49-I147 HydrophobicContact CG2-CD1 3.92Å; A121-I147 HydrophobicContact CB-CD1 3.82Å; A121-I147 HydrophobicContact CB-CG1 3.98Å; V122-I147 WeakPolarHBondContact O-CB 3.1Å; V122-I147 PolarHBondContact O-N 2.98Å; H123-I147 HydrophobicContact CB-CB 4.45Å; H123-I147 HydrophobicContact CB-CD1 4.11Å; P124-I147 WeakPolarHBondContact CD-O 3.43Å; I147-M356 HydrophobicContact CG2-CB 3.84Å; I147-M356 HydrophobicContact CG2-CE 4.5Å; I147-I357 HydrophobicContact CD1-CG1 4.25Å; I147-I357 HydrophobicContact CG2-CG1 4.47Å; I147-A360 HydrophobicContact CB-CB 4.21Å; I147-A360 HydrophobicContact CG1-CB 3.84Å; I147-A360 HydrophobicContact CG2-CB 4.06Å
148	G	96.5	Very high	94.4	Very high	9 Å²	9	41.9 Å²	41.9	9%	0.093	27%	0.265	C	S	.	.	S	Bend	trans	-177.8	-170.2	-174.5	0	0	0	0	0	110.7	F146 S314	F146-G148 VanDerWaalsContact C-N 3.34Å; F146-G148 PolarHBondContact O-N 3.22Å; F146-G148 VanDerWaalsContact O-N 3.12Å; G148-S314 VanDerWaalsContact C-CB 3.5Å
149	P	95	Very high	93.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.013	26%	0.259	C	S	.	.			trans	-69.6	158.5	172.7	27.8	-32.1	0	0	0	112.2	A153 I154 Y312 S313 T335	P149-A153 HydrophobicContact CB-CB 4.13Å; P149-I154 HydrophobicContact CB-CG1 4.42Å; P149-I154 HydrophobicContact CG-CD1 4.31Å; P149-I154 HydrophobicContact CG-CG1 3.79Å; P149-Y312 HydrophobicContact CB-CD2 4.01Å; P149-Y312 HydrophobicContact CB-CE1 4.25Å; P149-Y312 HydrophobicContact CB-CE2 3.51Å; P149-Y312 HydrophobicContact CG-CE2 3.82Å; P149-Y312 WeakPolarHBondContact CG-OH 3.34Å; P149-S313 VanDerWaalsContact CA-O 3.27Å; P149-S313 WeakPolarHBondContact CA-O 3.18Å; P149-S313 WeakPolarHBondContact CB-O 3.38Å; P149-T335 VanDerWaalsContact CD-O 3.27Å; P149-T335 WeakPolarHBondContact CD-O 3.23Å; P149-T335 WeakPolarHBondContact CG-O 3.16Å
150	D	90.8	Very high	93	Very high	80 Å²	80	41 Å²	41	43%	0.428	27%	0.265	S	S	.	.			trans	-67.9	157.8	175.5	-72.4	-38.8	0	0	0	112	H152 A153 I154	D150-H152 PolarHBondContact O-N 3.39Å; D150-H152 VanDerWaalsContact O-N 3.11Å; D150-A153 PolarHBondContact O-N 2.84Å; D150-I154 PolarHBondContact O-N 3.06Å
151	T	92.2	Very high	92.5	Very high	60 Å²	60	38.9 Å²	38.9	37%	0.368	24%	0.243	S	C	.	.	H	α-helix	trans	-55.5	-32.8	-176.7	52.1	0	0	0	0	113.9	A136 K137 Q155	A136-T151 HydrophobicContact CB-CG2 3.76Å; K137-T151 HydrophobicContact CB-CG2 4.26Å; T151-Q155 WeakPolarHBondContact O-CB 3.42Å; T151-Q155 PolarHBondContact O-N 2.83Å
152	H	92.1	Very high	92.1	Very high	108 Å²	108	38.2 Å²	38.2	50%	0.5	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-47.1	175.6	175.6	60.2	0	0	0	111.9	D150 Q155 A156	D150-H152 PolarHBondContact O-N 3.39Å; D150-H152 VanDerWaalsContact O-N 3.11Å; H152-Q155 PolarHBondContact O-N 3.31Å; H152-A156 VanDerWaalsContact O-CB 3.24Å; H152-A156 WeakPolarHBondContact O-CB 3.39Å; H152-A156 PolarHBondContact O-N 3.15Å
153	A	93.6	Very high	91.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-41.4	-178.9	0	0	0	0	0	111.7	P149 D150 Q155 A156 M157 V310 Y312	P149-A153 HydrophobicContact CB-CB 4.13Å; D150-A153 PolarHBondContact O-N 2.84Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 PolarHBondContact O-N 3.39Å; A153-A156 PolarHBondContact O-N 2.89Å; A153-M157 WeakPolarHBondContact O-CG 3.11Å; A153-M157 PolarHBondContact O-N 3.18Å; A153-M157 VanDerWaalsContact O-N 3.11Å; A153-V310 HydrophobicContact CB-CB 4.45Å; A153-V310 HydrophobicContact CB-CG2 4.26Å; A153-Y312 HydrophobicContact CB-CD2 3.87Å; A153-Y312 HydrophobicContact CB-CE2 4.38Å
154	I	92.9	Very high	91.4	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-57.6	-46.5	174.2	-63.5	173.9	0	0	0	110.6	E131 K133 A136 F146 P149 D150 G158	E131-I154 WeakPolarHBondContact O-CG2 3.35Å; K133-I154 HydrophobicContact CB-CG2 4.19Å; A136-I154 HydrophobicContact CB-CD1 4.36Å; F146-I154 HydrophobicContact CE1-CD1 3.91Å; F146-I154 HydrophobicContact CZ-CD1 4.42Å; P149-I154 HydrophobicContact CB-CG1 4.42Å; P149-I154 HydrophobicContact CG-CD1 4.31Å; P149-I154 HydrophobicContact CG-CG1 3.79Å; D150-I154 PolarHBondContact O-N 3.06Å; I154-G158 PolarHBondContact O-N 3.05Å; I154-G158 VanDerWaalsContact O-N 3.11Å
155	Q	90.8	Very high	91.1	Very high	93 Å²	93	35.8 Å²	35.8	44%	0.435	20%	0.198	S	C	.	.	H	α-helix	trans	-66.9	-48.2	179.2	176.4	168	-26.6	0	0	112	K133 T151 H152 A153 M157 G158	K133-Q155 HydrophobicContact CD-CB 4.09Å; K133-Q155 HydrophobicContact CD-CG 4.33Å; K133-Q155 VanDerWaalsContact NZ-OE1 3.12Å; T151-Q155 WeakPolarHBondContact O-CB 3.42Å; T151-Q155 PolarHBondContact O-N 2.83Å; H152-Q155 PolarHBondContact O-N 3.31Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 PolarHBondContact O-N 3.39Å; Q155-M157 PolarHBondContact O-N 2.86Å; Q155-G158 PolarHBondContact O-N 3.21Å
156	A	91.4	Very high	90.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-35.5	-176.1	0	0	0	0	0	112.5	H152 A153 S163 I166 V310	H152-A156 VanDerWaalsContact O-CB 3.24Å; H152-A156 WeakPolarHBondContact O-CB 3.39Å; H152-A156 PolarHBondContact O-N 3.15Å; A153-A156 PolarHBondContact O-N 2.89Å; A156-S163 PolarHBondContact O-N 3.47Å; A156-I166 HydrophobicContact CB-CD1 3.71Å; A156-V310 HydrophobicContact CB-CG1 4.31Å
157	M	90.6	Very high	90.6	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.059	19%	0.191	C	C	.	.	H	α-helix	trans	-94.7	-10.4	-178.4	-58.6	-65.3	88.4	0	0	113.9	A153 Q155 I166 L306 V310 M333 T335	A153-M157 WeakPolarHBondContact O-CG 3.11Å; A153-M157 PolarHBondContact O-N 3.18Å; A153-M157 VanDerWaalsContact O-N 3.11Å; Q155-M157 PolarHBondContact O-N 2.86Å; M157-I166 HydrophobicContact CE-CB 4.12Å; M157-I166 HydrophobicContact CE-CD1 3.76Å; M157-I166 HydrophobicContact CE-CG2 4.07Å; M157-L306 HydrophobicContact SD-CD1 4.42Å; M157-V310 HydrophobicContact CE-CG1 3.48Å; M157-V310 VanDerWaalsContact CE-CG1 3.48Å; M157-V310 HydrophobicContact CG-CG1 4.48Å; M157-V310 HydrophobicContact SD-CG1 4.01Å; M157-M333 HydrophobicContact CB-CB 4.31Å; M157-M333 HydrophobicContact CG-CB 4.04Å; M157-M333 HydrophobicContact CG-CG 4.31Å; M157-M333 HydrophobicContact CG-SD 4.01Å; M157-M333 HydrophobicContact SD-CB 3.8Å; M157-M333 HydrophobicContact SD-CG 4.39Å; M157-M333 HydrophobicContact SD-SD 3.93Å; M157-T335 HydrophobicContact CB-CG2 3.58Å; M157-T335 HydrophobicContact CG-CG2 3.96Å
158	G	84.1	Confident	90.3	Very high	55 Å²	55	39.9 Å²	39.9	57%	0.567	21%	0.214	S	C	*	.	H	α-helix	trans	-79.7	-19.8	-178.1	0	0	0	0	0	115.1	I154 Q155	I154-G158 PolarHBondContact O-N 3.05Å; I154-G158 VanDerWaalsContact O-N 3.11Å; Q155-G158 PolarHBondContact O-N 3.21Å
159	D	83.8	Confident	90.2	Very high	29 Å²	29	43.4 Å²	43.4	16%	0.155	24%	0.242	C	C	.	.	S	Bend	trans	-102.2	123.7	172.2	-176.9	-48.1	0	0	0	109.1	I161 E162 S163 S204 R240	D159-I161 VanDerWaalsContact C-N 3.26Å; D159-I161 PolarHBondContact O-N 3.11Å; D159-I161 WeakPolarHBondContact OD1-CA 3.37Å; D159-I161 WeakPolarHBondContact OD1-CB 3.19Å; D159-I161 PolarHBondContact OD1-N 3.39Å; D159-E162 HydrophobicContact CB-CB 3.97Å; D159-E162 PolarHBondContact O-N 2.89Å; D159-E162 PolarHBondContact OD1-N 3.37Å; D159-S163 VanDerWaalsContact O-CB 3.29Å; D159-S163 WeakPolarHBondContact O-CB 3.41Å; D159-S163 PolarHBondContact O-N 2.81Å; D159-S163 PolarHBondContact O-OG 3.02Å; D159-S204 PolarHBondContact OD1-OG 3.08Å; D159-R240 IonicContact OD2-CZ 2.9Å; D159-R240 IonicContact OD2-NH1 3.14Å; D159-R240 PolarHBondContact OD2-NH1 2.7Å; D159-R240 IonicContact OD2-NH2 3.72Å; D159-R240 PolarHBondContact OD2-NH2 2.83Å
160	K	82.8	Confident	90.2	Very high	29 Å²	29	44.2 Å²	44.2	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-29.2	-176.5	-69.7	-174.8	-170.8	154.7	0	113.5	S163 K164 A203 S204 G206 L242	K160-S163 VanDerWaalsContact CA-OG 3.26Å; K160-S163 WeakPolarHBondContact CA-OG 3.37Å; K160-S163 PolarHBondContact O-OG 3.07Å; K160-S163 VanDerWaalsContact O-OG 3.06Å; K160-K164 VanDerWaalsContact O-CB 3.27Å; K160-K164 WeakPolarHBondContact O-CB 3.34Å; K160-K164 PolarHBondContact O-N 2.76Å; K160-A203 WeakPolarHBondContact CD-O 3.33Å; K160-A203 PolarHBondContact NZ-O 2.91Å; K160-S204 PolarHBondContact N-O 3.4Å; K160-G206 VanDerWaalsContact CE-O 3.24Å; K160-G206 WeakPolarHBondContact CE-O 3.34Å; K160-G206 PolarHBondContact NZ-O 2.91Å; K160-L242 HydrophobicContact CB-CD2 3.69Å; K160-L242 HydrophobicContact CD-CD2 4.45Å
161	I	84.4	Confident	90.4	Very high	26 Å²	26	48.5 Å²	48.5	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-76	-48.3	178.2	-58.4	174	0	0	0	109.2	D159 S163 K164 L165 V181 S204 L242	D159-I161 VanDerWaalsContact C-N 3.26Å; D159-I161 PolarHBondContact O-N 3.11Å; D159-I161 WeakPolarHBondContact OD1-CA 3.37Å; D159-I161 WeakPolarHBondContact OD1-CB 3.19Å; D159-I161 PolarHBondContact OD1-N 3.39Å; I161-S163 PolarHBondContact O-N 3.44Å; I161-K164 PolarHBondContact O-N 2.89Å; I161-L165 HydrophobicContact CG2-CD1 4.37Å; I161-L165 WeakPolarHBondContact O-CG 3.48Å; I161-L165 PolarHBondContact O-N 3.32Å; I161-V181 HydrophobicContact CD1-CG2 3.45Å; I161-V181 VanDerWaalsContact CD1-CG2 3.45Å; I161-S204 VanDerWaalsContact CD1-OG 3.32Å; I161-S204 WeakPolarHBondContact CD1-OG 3.21Å; I161-S204 WeakPolarHBondContact CG1-OG 3.28Å; I161-L242 HydrophobicContact CG1-CD2 4.14Å
162	E	88.1	Confident	90.5	Very high	74 Å²	74	45.9 Å²	45.9	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-46.4	178.1	-170.8	175	179.7	0	0	111.1	D159 K164 L165 I166	D159-E162 HydrophobicContact CB-CB 3.97Å; D159-E162 PolarHBondContact O-N 2.89Å; D159-E162 PolarHBondContact OD1-N 3.37Å; E162-K164 PolarHBondContact O-N 3.41Å; E162-L165 PolarHBondContact O-N 3.12Å; E162-I166 HydrophobicContact CG-CD1 4Å; E162-I166 WeakPolarHBondContact O-CG1 3.34Å; E162-I166 PolarHBondContact O-N 3.35Å
163	S	89.7	Confident	90.6	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-40	178.7	59.7	0	0	0	0	112.9	A156 D159 K160 I161 I166 A167	A156-S163 PolarHBondContact O-N 3.47Å; D159-S163 VanDerWaalsContact O-CB 3.29Å; D159-S163 WeakPolarHBondContact O-CB 3.41Å; D159-S163 PolarHBondContact O-N 2.81Å; D159-S163 PolarHBondContact O-OG 3.02Å; K160-S163 VanDerWaalsContact CA-OG 3.26Å; K160-S163 WeakPolarHBondContact CA-OG 3.37Å; K160-S163 PolarHBondContact O-OG 3.07Å; K160-S163 VanDerWaalsContact O-OG 3.06Å; I161-S163 PolarHBondContact O-N 3.44Å; S163-I166 PolarHBondContact O-N 2.67Å; S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.17Å
164	K	88.3	Confident	90.5	Very high	16 Å²	16	45.1 Å²	45.1	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-42.5	175.1	-174.6	171.8	-177	164.2	0	112.5	K160 I161 E162 I166 A167 K168 T174 I175 D179 E244	K160-K164 VanDerWaalsContact O-CB 3.27Å; K160-K164 WeakPolarHBondContact O-CB 3.34Å; K160-K164 PolarHBondContact O-N 2.76Å; I161-K164 PolarHBondContact O-N 2.89Å; E162-K164 PolarHBondContact O-N 3.41Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.15Å; K164-A167 PolarHBondContact O-N 3Å; K164-K168 WeakPolarHBondContact O-CB 3.32Å; K164-K168 PolarHBondContact O-N 3.06Å; K164-T174 HydrophobicContact CG-CG2 4.22Å; K164-I175 PolarHBondContact NZ-O 2.89Å; K164-D179 WeakPolarHBondContact CE-OD1 3.11Å; K164-E244 IonicContact NZ-OE1 3.52Å; K164-E244 PolarHBondContact NZ-OE1 3.34Å
165	L	90.6	Very high	90.3	Very high	89 Å²	89	45 Å²	45	47%	0.466	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-41.7	176.2	-69.9	172.6	0	0	0	111.4	I161 E162 A169	I161-L165 HydrophobicContact CG2-CD1 4.37Å; I161-L165 WeakPolarHBondContact O-CG 3.48Å; I161-L165 PolarHBondContact O-N 3.32Å; E162-L165 PolarHBondContact O-N 3.12Å; L165-A169 WeakPolarHBondContact O-CB 3.41Å; L165-A169 PolarHBondContact O-N 2.79Å
166	I	93.4	Very high	90	Very high	38 Å²	38	43.9 Å²	43.9	20%	0.195	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-45	175.9	-66.9	168.6	0	0	0	110.8	A156 M157 E162 S163 K164 K168 A169 A170 L306 A309 V310	A156-I166 HydrophobicContact CB-CD1 3.71Å; M157-I166 HydrophobicContact CE-CB 4.12Å; M157-I166 HydrophobicContact CE-CD1 3.76Å; M157-I166 HydrophobicContact CE-CG2 4.07Å; E162-I166 HydrophobicContact CG-CD1 4Å; E162-I166 WeakPolarHBondContact O-CG1 3.34Å; E162-I166 PolarHBondContact O-N 3.35Å; S163-I166 PolarHBondContact O-N 2.67Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.15Å; I166-K168 VanDerWaalsContact C-N 3.34Å; I166-K168 PolarHBondContact O-N 3.04Å; I166-A169 PolarHBondContact O-N 3.14Å; I166-A170 VanDerWaalsContact O-CB 3.26Å; I166-A170 WeakPolarHBondContact O-CB 3.38Å; I166-A170 PolarHBondContact O-N 3.41Å; I166-L306 HydrophobicContact CG2-CD1 4.09Å; I166-A309 HydrophobicContact CG2-CB 4.34Å; I166-V310 HydrophobicContact CD1-CG1 4.44Å; I166-V310 HydrophobicContact CG2-CG1 3.7Å
167	A	93.6	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-46.3	176.8	0	0	0	0	0	111.5	S163 K164 A170 K171 V172 T174 L306 F330	S163-A167 WeakPolarHBondContact O-CB 3.38Å; S163-A167 PolarHBondContact O-N 3.17Å; K164-A167 PolarHBondContact O-N 3Å; A167-A170 CarbonylContact O-C 3.54Å; A167-A170 PolarHBondContact O-N 3.11Å; A167-K171 PolarHBondContact O-N 3.38Å; A167-K171 VanDerWaalsContact O-N 3.12Å; A167-V172 HydrophobicContact CB-CB 4.09Å; A167-V172 WeakPolarHBondContact O-CB 3.44Å; A167-V172 PolarHBondContact O-N 2.97Å; A167-T174 HydrophobicContact CB-CG2 3.95Å; A167-L306 HydrophobicContact CB-CD1 4.18Å; A167-F330 HydrophobicContact CB-CD1 3.67Å; A167-F330 HydrophobicContact CB-CE1 3.87Å; A167-F330 HydrophobicContact CB-CG 4.11Å; A167-F330 HydrophobicContact CB-CZ 4.47Å
168	K	92.1	Very high	89.3	Confident	108 Å²	108	47.7 Å²	47.7	47%	0.47	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176	-171.7	170.8	-178.6	167.3	0	112.2	K164 I166 A170 K171 T174 D179	K164-K168 WeakPolarHBondContact O-CB 3.32Å; K164-K168 PolarHBondContact O-N 3.06Å; I166-K168 VanDerWaalsContact C-N 3.34Å; I166-K168 PolarHBondContact O-N 3.04Å; K168-A170 VanDerWaalsContact C-N 3.27Å; K168-A170 PolarHBondContact O-N 3.37Å; K168-K171 PolarHBondContact O-N 2.88Å; K168-T174 HydrophobicContact CB-CG2 4.41Å; K168-D179 IonicContact NZ-OD2 3.3Å; K168-D179 PolarHBondContact NZ-OD2 3.46Å
169	A	93.9	Very high	88.9	Confident	83 Å²	83	48.2 Å²	48.2	69%	0.686	26%	0.261	S	S	*	.	H	α-helix	trans	-64	-33.7	175.5	0	0	0	0	0	112.4	L165 I166 K171	L165-A169 WeakPolarHBondContact O-CB 3.41Å; L165-A169 PolarHBondContact O-N 2.79Å; I166-A169 PolarHBondContact O-N 3.14Å; A169-K171 PolarHBondContact O-N 3.3Å
170	A	94.4	Very high	88.8	Confident	18 Å²	18	47.7 Å²	47.7	15%	0.149	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.2	173.9	0	0	0	0	0	113.5	I166 A167 K168 V172 Q305 A309	I166-A170 VanDerWaalsContact O-CB 3.26Å; I166-A170 WeakPolarHBondContact O-CB 3.38Å; I166-A170 PolarHBondContact O-N 3.41Å; A167-A170 CarbonylContact O-C 3.54Å; A167-A170 PolarHBondContact O-N 3.11Å; K168-A170 VanDerWaalsContact C-N 3.27Å; K168-A170 PolarHBondContact O-N 3.37Å; A170-V172 HydrophobicContact CB-CG2 4.1Å; A170-V172 PolarHBondContact O-N 3.46Å; A170-Q305 PolarHBondContact O-OE1 3.2Å; A170-A309 HydrophobicContact CB-CB 3.84Å
171	K	94.7	Very high	89	Confident	170 Å²	170	48.6 Å²	48.6	74%	0.739	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	28.9	-177.6	-52	179.5	-179.7	179.3	0	113.9	A167 K168 A169	A167-K171 PolarHBondContact O-N 3.38Å; A167-K171 VanDerWaalsContact O-N 3.12Å; K168-K171 PolarHBondContact O-N 2.88Å; A169-K171 PolarHBondContact O-N 3.3Å
172	V	95.3	Very high	89.1	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.036	27%	0.265	C	S	.	.			trans	-78.1	139	169.2	-175.8	0	0	0	0	108.5	A167 A170 T174 Q302 L306 F320 F330	A167-V172 HydrophobicContact CB-CB 4.09Å; A167-V172 WeakPolarHBondContact O-CB 3.44Å; A167-V172 PolarHBondContact O-N 2.97Å; A170-V172 HydrophobicContact CB-CG2 4.1Å; A170-V172 PolarHBondContact O-N 3.46Å; V172-T174 PolarHBondContact O-N 3.42Å; V172-Q302 VanDerWaalsContact CA-OE1 3.31Å; V172-Q302 HydrophobicContact CG1-CB 4.39Å; V172-Q302 HydrophobicContact CG2-CB 4.45Å; V172-L306 HydrophobicContact CG2-CB 3.97Å; V172-L306 HydrophobicContact CG2-CD1 4.49Å; V172-F320 HydrophobicContact CG1-CE1 3.94Å; V172-F320 HydrophobicContact CG1-CZ 4.36Å; V172-F330 HydrophobicContact CG1-CB 3.81Å; V172-F330 HydrophobicContact CG1-CG 4.38Å
173	N	93.8	Very high	89.1	Confident	63 Å²	63	51.9 Å²	51.9	34%	0.337	28%	0.283	S	S	.	.			trans	-62.1	122.1	175	-64.3	-8.6	0	0	0	109.4	Q302 F328 F330	N173-Q302 PolarHBondContact OD1-NE2 2.98Å; N173-F328 HydrophobicContact CB-CD2 4.36Å; N173-F328 HydrophobicContact CB-CE2 4.26Å; N173-F328 WeakPolarHBondContact CB-O 3.25Å; N173-F328 WeakPolarHBondContact ND2-CE2 3.16Å; N173-F328 VanDerWaalsContact ND2-CZ 3.35Å; N173-F328 WeakPolarHBondContact ND2-CZ 3.48Å; N173-F328 PolarHBondContact ND2-O 3.41Å; N173-F330 VanDerWaalsContact O-CB 3.26Å; N173-F330 WeakPolarHBondContact O-CB 3.25Å; N173-F330 PolarHBondContact O-N 3.36Å
174	T	92.2	Very high	89.1	Confident	29 Å²	29	55.3 Å²	55.3	18%	0.178	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-113.9	151.3	178.3	56.4	0	0	0	0	110.8	K164 A167 K168 V172	K164-T174 HydrophobicContact CG-CG2 4.22Å; A167-T174 HydrophobicContact CB-CG2 3.95Å; K168-T174 HydrophobicContact CB-CG2 4.41Å; V172-T174 PolarHBondContact O-N 3.42Å
175	I	88.9	Confident	89.2	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.015	31%	0.311	C	S	.	.			trans	-60.2	130.5	175	-57.4	172.1	0	0	0	109.2	K164 G177 E244 K245 L321 Y329 L331	K164-I175 PolarHBondContact NZ-O 2.89Å; I175-G177 PolarHBondContact O-N 2.85Å; I175-E244 HydrophobicContact CG2-CB 3.95Å; I175-K245 HydrophobicContact CG2-CB 4.14Å; I175-K245 WeakPolarHBondContact CG2-O 3.44Å; I175-L321 HydrophobicContact CD1-CD1 3.98Å; I175-Y329 VanDerWaalsContact CG1-CB 3.4Å; I175-Y329 HydrophobicContact CG1-CG 4.17Å; I175-L331 HydrophobicContact CD1-CD1 4.46Å
176	P	84.7	Confident	89.4	Confident	69 Å²	69	56.8 Å²	56.8	45%	0.448	31%	0.313	S	S	.	.	S	Bend	trans	-53.1	127.6	171.9	-24.6	33.8	0	0	0	110.2	K245	P176-K245 HydrophobicContact CB-CB 4.25Å; P176-K245 WeakPolarHBondContact O-CB 3.24Å; P176-K245 PolarHBondContact O-N 2.89Å
177	G	84.2	Confident	89.3	Confident	25 Å²	25	58 Å²	58	26%	0.258	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-179.2	-179.3	-176.2	0	0	0	0	0	112.1	I175 I243	I175-G177 PolarHBondContact O-N 2.85Å; G177-I243 WeakPolarHBondContact CA-O 3.49Å
178	F	83.4	Confident	89.3	Confident	69 Å²	69	58 Å²	58	30%	0.303	32%	0.318	S	S	.	.			trans	-80	126.3	177.4	-178	-114.9	0	0	0	110.8	G180 V182 I191 I243	F178-G180 VanDerWaalsContact CD1-C 3.49Å; F178-G180 WeakPolarHBondContact CD1-O 3.44Å; F178-G180 VanDerWaalsContact CE1-CA 3.49Å; F178-G180 WeakPolarHBondContact CE1-O 3.27Å; F178-G180 PolarHBondContact O-N 3.18Å; F178-G180 VanDerWaalsContact O-N 3.13Å; F178-V182 HydrophobicContact CD1-CG2 3.83Å; F178-V182 HydrophobicContact CE1-CG2 4.25Å; F178-I191 HydrophobicContact CB-CD1 4.19Å; F178-I191 HydrophobicContact CB-CG2 3.62Å; F178-I191 HydrophobicContact CD1-CD1 3.63Å; F178-I191 HydrophobicContact CD2-CD1 3.87Å; F178-I191 HydrophobicContact CD2-CG1 4.14Å; F178-I191 HydrophobicContact CE1-CD1 3.84Å; F178-I191 HydrophobicContact CE2-CD1 4.09Å; F178-I191 HydrophobicContact CG-CD1 3.64Å; F178-I191 HydrophobicContact CG-CG1 4.21Å; F178-I191 HydrophobicContact CG-CG2 4.23Å; F178-I191 HydrophobicContact CZ-CD1 4.07Å; F178-I243 PolarHBondContact N-O 3.22Å
179	D	74.8	Confident	89.5	Confident	66 Å²	66	53.1 Å²	53.1	35%	0.353	30%	0.297	S	S	.	.	S	Bend	trans	-85.4	34.7	-177.1	-67.2	-29.8	0	0	0	112.5	K164 K168	K164-D179 WeakPolarHBondContact CE-OD1 3.11Å; K168-D179 IonicContact NZ-OD2 3.3Å; K168-D179 PolarHBondContact NZ-OD2 3.46Å
180	G	81.1	Confident	89.5	Confident	17 Å²	17	55.3 Å²	55.3	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	-155.6	-179.4	-176.2	0	0	0	0	0	114.1	F178	F178-G180 VanDerWaalsContact CD1-C 3.49Å; F178-G180 WeakPolarHBondContact CD1-O 3.44Å; F178-G180 VanDerWaalsContact CE1-CA 3.49Å; F178-G180 WeakPolarHBondContact CE1-O 3.27Å; F178-G180 PolarHBondContact O-N 3.18Å; F178-G180 VanDerWaalsContact O-N 3.13Å
181	V	86.4	Confident	89.4	Confident	49 Å²	49	54.8 Å²	54.8	30%	0.297	29%	0.286	S	S	.	.			trans	-85.7	126.5	176.1	-179	0	0	0	0	109.6	I161 R240	I161-V181 HydrophobicContact CD1-CG2 3.45Å; I161-V181 VanDerWaalsContact CD1-CG2 3.45Å; V181-R240 HydrophobicContact CG1-CB 3.82Å; V181-R240 HydrophobicContact CG1-CG 3.87Å; V181-R240 HydrophobicContact CG2-CB 4.26Å; V181-R240 HydrophobicContact CG2-CG 4.23Å
182	V	87.4	Confident	89.4	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-82.6	123.9	173.9	-172.8	0	0	0	0	109.3	F178 E187 A188 I191 F225 L241 I243	F178-V182 HydrophobicContact CD1-CG2 3.83Å; F178-V182 HydrophobicContact CE1-CG2 4.25Å; V182-E187 HydrophobicContact CG1-CB 4.25Å; V182-E187 HydrophobicContact CG1-CG 4.23Å; V182-A188 HydrophobicContact CG1-CB 3.75Å; V182-I191 HydrophobicContact CB-CD1 4.47Å; V182-I191 HydrophobicContact CG1-CD1 4.19Å; V182-I191 HydrophobicContact CG2-CD1 3.66Å; V182-F225 HydrophobicContact CB-CE2 3.91Å; V182-F225 HydrophobicContact CG1-CD2 4.09Å; V182-F225 HydrophobicContact CG1-CE2 3.63Å; V182-F225 HydrophobicContact CG1-CZ 4.49Å; V182-L241 PolarHBondContact N-O 3.39Å; V182-I243 HydrophobicContact CG1-CD1 4.29Å; V182-I243 HydrophobicContact CG2-CD1 4.03Å; V182-I243 HydrophobicContact CG2-CG1 3.98Å
183	K	87.7	Confident	89.3	Confident	166 Å²	166	51.5 Å²	51.5	72%	0.722	27%	0.273	S	S	*	.			trans	-97.3	-27.3	-170.9	-58.8	-179.2	-178.4	176.6	0	113.9	E187	K183-E187 WeakPolarHBondContact CA-OE2 3.49Å; K183-E187 VanDerWaalsContact CB-OE2 3.31Å; K183-E187 WeakPolarHBondContact CB-OE2 3.44Å; K183-E187 PolarHBondContact N-OE2 3.28Å
184	T	90.7	Very high	89.3	Confident	74 Å²	74	55.1 Å²	55.1	45%	0.454	29%	0.288	S	S	.	.	S	Bend	trans	-139.9	156.6	-174.8	67.2	0	0	0	0	111.8	E186 E187 A188	T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 PolarHBondContact O-N 3.39Å; T184-E187 PolarHBondContact O-N 3.04Å; T184-E187 VanDerWaalsContact OG1-CB 3.28Å; T184-E187 WeakPolarHBondContact OG1-CB 3.42Å; T184-E187 PolarHBondContact OG1-N 3.1Å; T184-A188 PolarHBondContact O-N 2.68Å
185	A	91.1	Very high	89.2	Confident	29 Å²	29	55.7 Å²	55.7	24%	0.24	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-34.1	176.9	0	0	0	0	0	112.8	A188 V189 R222 F225	A185-A188 VanDerWaalsContact O-CB 3.3Å; A185-A188 WeakPolarHBondContact O-CB 3.39Å; A185-A188 PolarHBondContact O-N 2.82Å; A185-V189 WeakPolarHBondContact O-CG2 3.3Å; A185-V189 PolarHBondContact O-N 2.93Å; A185-R222 HydrophobicContact CB-CG 4.48Å; A185-F225 HydrophobicContact CB-CD1 3.97Å; A185-F225 HydrophobicContact CB-CG 4.49Å
186	E	92.8	Very high	89.3	Confident	108 Å²	108	56.8 Å²	56.8	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-79.2	-29.8	178.5	-57.2	-51.3	165.3	0	0	112.9	T184 A188 V189 K190 R222	T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 PolarHBondContact O-N 3.39Å; E186-A188 VanDerWaalsContact C-N 3.29Å; E186-V189 PolarHBondContact O-N 2.92Å; E186-K190 PolarHBondContact O-N 3.06Å; E186-R222 IonicContact OE1-NE 2.72Å; E186-R222 PolarHBondContact OE1-NE 3.23Å; E186-R222 IonicContact OE2-CZ 3.29Å; E186-R222 IonicContact OE2-NE 3.1Å; E186-R222 PolarHBondContact OE2-NE 3.36Å; E186-R222 VanDerWaalsContact OE2-NE 3.13Å; E186-R222 IonicContact OE2-NH2 2.68Å; E186-R222 PolarHBondContact OE2-NH2 3.41Å
187	E	93.4	Very high	89.6	Confident	62 Å²	62	56.6 Å²	56.6	29%	0.29	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-39.1	166.7	-173.7	177.1	-151.8	0	0	110.6	V182 K183 T184 K190 I191	V182-E187 HydrophobicContact CG1-CB 4.25Å; V182-E187 HydrophobicContact CG1-CG 4.23Å; K183-E187 WeakPolarHBondContact CA-OE2 3.49Å; K183-E187 VanDerWaalsContact CB-OE2 3.31Å; K183-E187 WeakPolarHBondContact CB-OE2 3.44Å; K183-E187 PolarHBondContact N-OE2 3.28Å; T184-E187 PolarHBondContact O-N 3.04Å; T184-E187 VanDerWaalsContact OG1-CB 3.28Å; T184-E187 WeakPolarHBondContact OG1-CB 3.42Å; T184-E187 PolarHBondContact OG1-N 3.1Å; E187-K190 PolarHBondContact O-N 3.33Å; E187-I191 HydrophobicContact CG-CD1 3.85Å; E187-I191 WeakPolarHBondContact O-CB 3.48Å; E187-I191 WeakPolarHBondContact O-CD1 3.31Å; E187-I191 VanDerWaalsContact O-CG1 3.28Å; E187-I191 WeakPolarHBondContact O-CG1 3.46Å; E187-I191 PolarHBondContact O-N 3.34Å
188	A	92.6	Very high	90	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-47.4	174.5	0	0	0	0	0	112.3	V182 T184 A185 E186 I191 A192 T221 F225 I243	V182-A188 HydrophobicContact CG1-CB 3.75Å; T184-A188 PolarHBondContact O-N 2.68Å; A185-A188 VanDerWaalsContact O-CB 3.3Å; A185-A188 WeakPolarHBondContact O-CB 3.39Å; A185-A188 PolarHBondContact O-N 2.82Å; E186-A188 VanDerWaalsContact C-N 3.29Å; A188-I191 PolarHBondContact O-N 3.33Å; A188-A192 VanDerWaalsContact O-CB 3.28Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 3.2Å; A188-T221 HydrophobicContact CB-CG2 3.93Å; A188-F225 HydrophobicContact CB-CB 4.15Å; A188-F225 HydrophobicContact CB-CD2 3.75Å; A188-F225 HydrophobicContact CB-CE2 4.5Å; A188-F225 HydrophobicContact CB-CG 4.09Å; A188-I243 VanDerWaalsContact CA-CD1 3.45Å; A188-I243 HydrophobicContact CB-CD1 3.46Å; A188-I243 VanDerWaalsContact CB-CD1 3.46Å
189	V	95.1	Very high	90.4	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-46	176.8	172	0	0	0	0	111.2	A185 E186 I191 A192 Q193 D218 T221 R222	A185-V189 WeakPolarHBondContact O-CG2 3.3Å; A185-V189 PolarHBondContact O-N 2.93Å; E186-V189 PolarHBondContact O-N 2.92Å; V189-I191 PolarHBondContact O-N 3.33Å; V189-A192 PolarHBondContact O-N 3.32Å; V189-Q193 HydrophobicContact CG1-CG 4.45Å; V189-Q193 WeakPolarHBondContact O-CG 3.25Å; V189-Q193 PolarHBondContact O-N 2.76Å; V189-D218 HydrophobicContact CG1-CB 3.95Å; V189-D218 HydrophobicContact CG2-CB 4.47Å; V189-T221 HydrophobicContact CG2-CG2 4.04Å; V189-R222 HydrophobicContact CG2-CG 3.67Å
190	K	94.6	Very high	91.2	Very high	128 Å²	128	51.2 Å²	51.2	56%	0.557	26%	0.261	S	S	*	.	H	α-helix	trans	-59.2	-47	178.2	-174.9	-175.4	173.7	-166.8	0	111.6	E186 E187 A192 Q193 E194	E186-K190 PolarHBondContact O-N 3.06Å; E187-K190 PolarHBondContact O-N 3.33Å; K190-A192 VanDerWaalsContact C-N 3.34Å; K190-A192 PolarHBondContact O-N 3.27Å; K190-Q193 PolarHBondContact O-N 3Å; K190-E194 WeakPolarHBondContact CE-OE1 3.17Å; K190-E194 WeakPolarHBondContact O-CG 3.41Å; K190-E194 PolarHBondContact O-N 3.43Å
191	I	93.6	Very high	91.6	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-42.9	177.3	-72.1	166.1	0	0	0	110.8	F178 V182 E187 A188 V189 Q193 E194 I195 I243	F178-I191 HydrophobicContact CB-CD1 4.19Å; F178-I191 HydrophobicContact CB-CG2 3.62Å; F178-I191 HydrophobicContact CD1-CD1 3.63Å; F178-I191 HydrophobicContact CD2-CD1 3.87Å; F178-I191 HydrophobicContact CD2-CG1 4.14Å; F178-I191 HydrophobicContact CE1-CD1 3.84Å; F178-I191 HydrophobicContact CE2-CD1 4.09Å; F178-I191 HydrophobicContact CG-CD1 3.64Å; F178-I191 HydrophobicContact CG-CG1 4.21Å; F178-I191 HydrophobicContact CG-CG2 4.23Å; F178-I191 HydrophobicContact CZ-CD1 4.07Å; V182-I191 HydrophobicContact CB-CD1 4.47Å; V182-I191 HydrophobicContact CG1-CD1 4.19Å; V182-I191 HydrophobicContact CG2-CD1 3.66Å; E187-I191 HydrophobicContact CG-CD1 3.85Å; E187-I191 WeakPolarHBondContact O-CB 3.48Å; E187-I191 WeakPolarHBondContact O-CD1 3.31Å; E187-I191 VanDerWaalsContact O-CG1 3.28Å; E187-I191 WeakPolarHBondContact O-CG1 3.46Å; E187-I191 PolarHBondContact O-N 3.34Å; A188-I191 PolarHBondContact O-N 3.33Å; V189-I191 PolarHBondContact O-N 3.33Å; I191-Q193 VanDerWaalsContact C-N 3.32Å; I191-Q193 PolarHBondContact O-N 3.14Å; I191-E194 PolarHBondContact O-N 3.41Å; I191-I195 HydrophobicContact CG2-CD1 3.59Å; I191-I195 HydrophobicContact CG2-CG1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.34Å; I191-I195 PolarHBondContact O-N 2.94Å; I191-I243 HydrophobicContact CG2-CB 3.96Å; I191-I243 HydrophobicContact CG2-CD1 4.34Å; I191-I243 HydrophobicContact CG2-CG2 4.13Å
192	A	93.4	Very high	91.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-37.9	179.4	0	0	0	0	0	112.4	A188 V189 K190 G196 Y197 V199 T221	A188-A192 VanDerWaalsContact O-CB 3.28Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 3.2Å; V189-A192 PolarHBondContact O-N 3.32Å; K190-A192 VanDerWaalsContact C-N 3.34Å; K190-A192 PolarHBondContact O-N 3.27Å; A192-G196 WeakPolarHBondContact O-CA 3.49Å; A192-G196 PolarHBondContact O-N 3.47Å; A192-Y197 HydrophobicContact CB-CD1 4.5Å; A192-Y197 HydrophobicContact CB-CE1 3.58Å; A192-Y197 WeakPolarHBondContact CB-OH 3.11Å; A192-V199 HydrophobicContact CB-CG1 4.12Å; A192-V199 HydrophobicContact CB-CG2 3.73Å; A192-T221 HydrophobicContact CB-CG2 4.04Å
193	Q	93	Very high	91.5	Very high	106 Å²	106	48.4 Å²	48.4	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-38	173.3	-70.9	174	-8	0	0	112.5	V189 K190 I191 G196 Y197 D218	V189-Q193 HydrophobicContact CG1-CG 4.45Å; V189-Q193 WeakPolarHBondContact O-CG 3.25Å; V189-Q193 PolarHBondContact O-N 2.76Å; K190-Q193 PolarHBondContact O-N 3Å; I191-Q193 VanDerWaalsContact C-N 3.32Å; I191-Q193 PolarHBondContact O-N 3.14Å; Q193-G196 PolarHBondContact O-N 2.92Å; Q193-Y197 HydrophobicContact CG-CE2 4.24Å; Q193-D218 PolarHBondContact NE2-OD1 2.95Å; Q193-D218 PolarHBondContact NE2-OD2 2.74Å
194	E	93.3	Very high	91.2	Very high	140 Å²	140	40.5 Å²	40.5	65%	0.654	21%	0.206	S	C	*	.	H	α-helix	trans	-68.1	-39.7	176.2	-72.9	175.8	-169.9	0	0	112.4	K190 I191	K190-E194 WeakPolarHBondContact CE-OE1 3.17Å; K190-E194 WeakPolarHBondContact O-CG 3.41Å; K190-E194 PolarHBondContact O-N 3.43Å; I191-E194 PolarHBondContact O-N 3.41Å
195	I	91.8	Very high	90.3	Very high	41 Å²	41	38 Å²	38	21%	0.21	19%	0.193	C	C	.	.	H	α-helix	trans	-72.8	-35.1	175.3	-66.4	165.9	0	0	0	111.2	I191 V199 I243 K245	I191-I195 HydrophobicContact CG2-CD1 3.59Å; I191-I195 HydrophobicContact CG2-CG1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.34Å; I191-I195 PolarHBondContact O-N 2.94Å; I195-V199 HydrophobicContact CB-CG1 4.18Å; I195-V199 HydrophobicContact CG2-CG1 3.92Å; I195-I243 HydrophobicContact CD1-CB 4.47Å; I195-I243 HydrophobicContact CD1-CG2 3.89Å; I195-K245 HydrophobicContact CG2-CB 3.77Å; I195-K245 HydrophobicContact CG2-CD 3.8Å; I195-K245 HydrophobicContact CG2-CG 4.38Å
196	G	91.1	Very high	89.1	Confident	26 Å²	26	37.8 Å²	37.8	27%	0.268	19%	0.193	S	C	.	.			trans	85.2	135.3	-172.7	0	0	0	0	0	112.8	A192 Q193 K245	A192-G196 WeakPolarHBondContact O-CA 3.49Å; A192-G196 PolarHBondContact O-N 3.47Å; Q193-G196 PolarHBondContact O-N 2.92Å; G196-K245 PolarHBondContact O-NZ 3.41Å
197	Y	89.7	Confident	87.7	Confident	64 Å²	64	34.6 Å²	34.6	25%	0.251	19%	0.189	S	C	.	.	S	Bend	trans	-69.4	155.9	179.8	-67.7	-68	0	0	0	114.2	A192 Q193 V199 A215 W216 N217 D218 T221 K245	A192-Y197 HydrophobicContact CB-CD1 4.5Å; A192-Y197 HydrophobicContact CB-CE1 3.58Å; A192-Y197 WeakPolarHBondContact CB-OH 3.11Å; Q193-Y197 HydrophobicContact CG-CE2 4.24Å; Y197-V199 HydrophobicContact CD1-CG1 4.37Å; Y197-V199 HydrophobicContact CD1-CG2 4.11Å; Y197-V199 HydrophobicContact CE1-CG2 3.99Å; Y197-A215 WeakPolarHBondContact CD1-O 3.47Å; Y197-W216 WeakPolarHBondContact CB-O 3.46Å; Y197-N217 VanDerWaalsContact CZ-C 3.49Å; Y197-D218 WeakPolarHBondContact CE2-OD1 3.48Å; Y197-D218 VanDerWaalsContact CZ-OD1 3.28Å; Y197-D218 VanDerWaalsContact OH-CA 3.3Å; Y197-D218 WeakPolarHBondContact OH-CA 3.37Å; Y197-D218 PolarHBondContact OH-N 3.16Å; Y197-D218 PolarHBondContact OH-OD1 3.47Å; Y197-T221 VanDerWaalsContact CE1-OG1 3.27Å; Y197-T221 WeakPolarHBondContact CE1-OG1 3.4Å; Y197-T221 PolarHBondContact OH-OG1 2.89Å; Y197-K245 PolarHBondContact O-NZ 3.34Å
198	P	92.3	Very high	86.1	Confident	24 Å²	24	34.6 Å²	34.6	16%	0.156	21%	0.206	C	C	.	.	S	Bend	cis	-70.6	155.6	-10.4	29.2	-35.3	0	0	0	112.6	I214 A215 W216 K245 Y246	P198-I214 HydrophobicContact CB-CG2 4.36Å; P198-A215 WeakPolarHBondContact CA-O 3.47Å; P198-W216 HydrophobicContact CB-CD2 3.95Å; P198-W216 HydrophobicContact CB-CE3 3.63Å; P198-W216 HydrophobicContact CB-CH2 4.38Å; P198-W216 HydrophobicContact CB-CZ3 3.88Å; P198-W216 HydrophobicContact CG-CE3 3.91Å; P198-W216 HydrophobicContact CG-CH2 4.15Å; P198-W216 HydrophobicContact CG-CZ3 3.65Å; P198-K245 PolarHBondContact O-NZ 2.8Å; P198-K245 VanDerWaalsContact O-NZ 3.15Å; P198-Y246 HydrophobicContact CB-CD1 4.11Å; P198-Y246 HydrophobicContact CB-CG 4.45Å; P198-Y246 HydrophobicContact CG-CD1 3.7Å; P198-Y246 HydrophobicContact CG-CG 4.34Å; P198-Y246 PolarHBondContact O-N 3.23Å
199	V	93	Very high	84.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.2	175.7	-60	0	0	0	0	111.1	A192 I195 Y197 I214 A215 I243 E244	A192-V199 HydrophobicContact CB-CG1 4.12Å; A192-V199 HydrophobicContact CB-CG2 3.73Å; I195-V199 HydrophobicContact CB-CG1 4.18Å; I195-V199 HydrophobicContact CG2-CG1 3.92Å; Y197-V199 HydrophobicContact CD1-CG1 4.37Å; Y197-V199 HydrophobicContact CD1-CG2 4.11Å; Y197-V199 HydrophobicContact CE1-CG2 3.99Å; V199-I214 WeakPolarHBondContact O-CA 3.4Å; V199-A215 HydrophobicContact CG2-CB 4.13Å; V199-A215 PolarHBondContact N-O 2.65Å; V199-A215 PolarHBondContact O-N 2.85Å; V199-I243 HydrophobicContact CB-CG2 3.9Å; V199-I243 HydrophobicContact CG1-CG2 4.38Å; V199-I243 HydrophobicContact CG2-CG2 4Å; V199-E244 CarbonylContact C-O 3.55Å; V199-E244 WeakPolarHBondContact CA-O 3.44Å; V199-E244 WeakPolarHBondContact CB-O 3.38Å
200	M	90.8	Very high	83.3	Confident	23 Å²	23	39.7 Å²	39.7	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.3	175.3	179.8	69.2	77.7	0	0	109.3	K202 M212 R213 I214 I243 E244 Y246	M200-K202 HydrophobicContact CG-CD 4.18Å; M200-K202 VanDerWaalsContact CG-CE 3.5Å; M200-K202 HydrophobicContact CG-CG 3.64Å; M200-M212 HydrophobicContact CE-CE 4.04Å; M200-M212 HydrophobicContact CG-CE 4.22Å; M200-M212 HydrophobicContact SD-CB 4.12Å; M200-M212 HydrophobicContact SD-CE 4Å; M200-R213 WeakPolarHBondContact CA-O 3.3Å; M200-I214 HydrophobicContact CE-CD1 4.15Å; M200-I214 HydrophobicContact CE-CG1 3.41Å; M200-I214 VanDerWaalsContact CE-CG1 3.41Å; M200-I214 HydrophobicContact SD-CG1 3.97Å; M200-I243 WeakPolarHBondContact O-CA 3.29Å; M200-E244 PolarHBondContact N-O 3.12Å; M200-E244 PolarHBondContact O-N 2.76Å; M200-Y246 HydrophobicContact CB-CD2 4.43Å; M200-Y246 HydrophobicContact CE-CD2 3.73Å; M200-Y246 HydrophobicContact CE-CE2 3.78Å
201	I	90.3	Very high	82.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.5	172.5	-56.8	167.7	0	0	0	106.9	M212 R213 A215 T221 L241 I243	I201-M212 CarbonylContact O-C 3.37Å; I201-M212 VanDerWaalsContact O-CA 3.28Å; I201-M212 WeakPolarHBondContact O-CA 3.36Å; I201-R213 PolarHBondContact N-O 2.77Å; I201-R213 PolarHBondContact O-N 2.58Å; I201-A215 HydrophobicContact CD1-CB 4.39Å; I201-T221 HydrophobicContact CD1-CG2 4.34Å; I201-L241 HydrophobicContact CG2-CD1 3.99Å; I201-I243 HydrophobicContact CG1-CG1 4.23Å
202	K	87	Confident	81.4	Confident	11 Å²	11	35.8 Å²	35.8	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.7	-178.9	-52.7	-176.3	-179.6	166.6	0	111.3	M200 M212 L241 L242 E244	M200-K202 HydrophobicContact CG-CD 4.18Å; M200-K202 VanDerWaalsContact CG-CE 3.5Å; M200-K202 HydrophobicContact CG-CG 3.64Å; K202-M212 HydrophobicContact CB-CG 4.2Å; K202-M212 HydrophobicContact CD-CE 4.12Å; K202-M212 HydrophobicContact CD-SD 4.28Å; K202-M212 HydrophobicContact CG-CE 4.23Å; K202-M212 HydrophobicContact CG-CG 3.98Å; K202-M212 HydrophobicContact CG-SD 4.32Å; K202-L241 CarbonylContact O-C 3.55Å; K202-L241 WeakPolarHBondContact O-CA 3.34Å; K202-L242 HydrophobicContact CB-CD1 3.84Å; K202-L242 HydrophobicContact CB-CG 4.01Å; K202-L242 HydrophobicContact CD-CD1 4.1Å; K202-L242 HydrophobicContact CG-CD1 4.21Å; K202-L242 PolarHBondContact N-O 3.5Å; K202-L242 PolarHBondContact O-N 2.83Å; K202-E244 WeakPolarHBondContact CE-OE2 3.33Å; K202-E244 IonicContact NZ-OE2 3.57Å; K202-E244 PolarHBondContact NZ-OE2 3.36Å
203	A	84.1	Confident	81.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.7	166.3	0	0	0	0	0	111.7	K160 A205 G211 A232 L241	K160-A203 WeakPolarHBondContact CD-O 3.33Å; K160-A203 PolarHBondContact NZ-O 2.91Å; A203-A205 VanDerWaalsContact C-N 3.33Å; A203-A205 WeakPolarHBondContact CB-O 3.43Å; A203-G211 PolarHBondContact N-O 2.9Å; A203-G211 VanDerWaalsContact N-O 3.13Å; A203-A232 HydrophobicContact CB-CB 3.64Å; A203-L241 HydrophobicContact CB-CD2 4.15Å
204	S	82.1	Confident	81	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-67	-34.2	178.1	-170.5	0	0	0	0	112.5	D159 K160 I161 R240	D159-S204 PolarHBondContact OD1-OG 3.08Å; K160-S204 PolarHBondContact N-O 3.4Å; I161-S204 VanDerWaalsContact CD1-OG 3.32Å; I161-S204 WeakPolarHBondContact CD1-OG 3.21Å; I161-S204 WeakPolarHBondContact CG1-OG 3.28Å; S204-R240 VanDerWaalsContact CB-O 3.23Å; S204-R240 WeakPolarHBondContact CB-O 3.45Å; S204-R240 PolarHBondContact N-O 3.31Å
205	A	72.3	Confident	80.9	Confident	21 Å²	21	31.7 Å²	31.7	17%	0.174	20%	0.195	C	C	.	.	S	Bend	trans	-108.4	151.6	176.1	0	0	0	0	0	110.6	A203 F236 D238	A203-A205 VanDerWaalsContact C-N 3.33Å; A203-A205 WeakPolarHBondContact CB-O 3.43Å; A205-F236 HydrophobicContact CB-CB 4.15Å; A205-F236 WeakPolarHBondContact O-CD2 3.31Å; A205-D238 HydrophobicContact CB-CB 3.82Å
206	G	64.1	Low	80.9	Confident	25 Å²	25	36.4 Å²	36.4	26%	0.258	21%	0.21	S	C	.	.			trans	96	155.6	176.5	0	0	0	0	0	114.7	K160	K160-G206 VanDerWaalsContact CE-O 3.24Å; K160-G206 WeakPolarHBondContact CE-O 3.34Å; K160-G206 PolarHBondContact NZ-O 2.91Å
207	G	63.3	Low	81.1	Confident	41 Å²	41	38.2 Å²	38.2	42%	0.423	21%	0.214	S	C	.	.			trans	-124.4	178.2	179.8	0	0	0	0	0	112.7
208	G	61.2	Low	81.4	Confident	61 Å²	61	37.6 Å²	37.6	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	27.3	174.1	0	0	0	0	0	115.3	K210	G208-K210 VanDerWaalsContact C-N 3.27Å; G208-K210 PolarHBondContact O-N 2.98Å
209	G	62.2	Low	81.4	Confident	19 Å²	19	41.5 Å²	41.5	20%	0.196	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	-0.1	174.1	0	0	0	0	0	116.5	M212	G209-M212 WeakPolarHBondContact O-CB 3.3Å; G209-M212 PolarHBondContact O-N 2.88Å
210	K	65.2	Low	81.4	Confident	95 Å²	95	44.8 Å²	44.8	41%	0.413	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	135.6	175.6	-65.7	-172.8	177.9	-171.8	0	110.8	G208 M212 F236	G208-K210 VanDerWaalsContact C-N 3.27Å; G208-K210 PolarHBondContact O-N 2.98Å; K210-M212 VanDerWaalsContact C-N 3.29Å; K210-M212 PolarHBondContact O-N 3.08Å; K210-F236 HydrophobicContact CB-CE2 4.09Å; K210-F236 HydrophobicContact CB-CZ 3.9Å; K210-F236 HydrophobicContact CD-CZ 4.28Å
211	G	70	Confident	81.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	26.3	-174.9	0	0	0	0	0	114.1	A203 E231	A203-G211 PolarHBondContact N-O 2.9Å; A203-G211 VanDerWaalsContact N-O 3.13Å; G211-E231 PolarHBondContact N-OE1 3.09Å
212	M	80.3	Confident	81.5	Confident	55 Å²	55	47.1 Å²	47.1	27%	0.271	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.1	172.8	-65.9	-175.7	42.3	0	0	111.2	M200 I201 K202 G209 K210	M200-M212 HydrophobicContact CE-CE 4.04Å; M200-M212 HydrophobicContact CG-CE 4.22Å; M200-M212 HydrophobicContact SD-CB 4.12Å; M200-M212 HydrophobicContact SD-CE 4Å; I201-M212 CarbonylContact O-C 3.37Å; I201-M212 VanDerWaalsContact O-CA 3.28Å; I201-M212 WeakPolarHBondContact O-CA 3.36Å; K202-M212 HydrophobicContact CB-CG 4.2Å; K202-M212 HydrophobicContact CD-CE 4.12Å; K202-M212 HydrophobicContact CD-SD 4.28Å; K202-M212 HydrophobicContact CG-CE 4.23Å; K202-M212 HydrophobicContact CG-CG 3.98Å; K202-M212 HydrophobicContact CG-SD 4.32Å; G209-M212 WeakPolarHBondContact O-CB 3.3Å; G209-M212 PolarHBondContact O-N 2.88Å; K210-M212 VanDerWaalsContact C-N 3.29Å; K210-M212 PolarHBondContact O-N 3.08Å
213	R	86.4	Confident	81.5	Confident	97 Å²	97	50.8 Å²	50.8	37%	0.366	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.6	178.9	-63.4	-173.9	-172.3	-97.2	-9.1	111.7	M200 I201 S228 E231	M200-R213 WeakPolarHBondContact CA-O 3.3Å; I201-R213 PolarHBondContact N-O 2.77Å; I201-R213 PolarHBondContact O-N 2.58Å; R213-S228 WeakPolarHBondContact CD-OG 3.49Å; R213-E231 IonicContact CZ-OE2 3.86Å; R213-E231 IonicContact NE-OE2 2.96Å; R213-E231 IonicContact NH2-OE2 2.73Å; R213-E231 PolarHBondContact NH2-OE2 3.44Å
214	I	89.8	Confident	81.7	Confident	63 Å²	63	51.1 Å²	51.1	32%	0.323	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.2	173.3	-54.6	165.1	0	0	0	107.8	P198 V199 M200 W216 Y246	P198-I214 HydrophobicContact CB-CG2 4.36Å; V199-I214 WeakPolarHBondContact O-CA 3.4Å; M200-I214 HydrophobicContact CE-CD1 4.15Å; M200-I214 HydrophobicContact CE-CG1 3.41Å; M200-I214 VanDerWaalsContact CE-CG1 3.41Å; M200-I214 HydrophobicContact SD-CG1 3.97Å; I214-W216 HydrophobicContact CG2-CZ2 4.27Å; I214-Y246 HydrophobicContact CD1-CD2 4.17Å; I214-Y246 HydrophobicContact CD1-CE1 4.35Å; I214-Y246 HydrophobicContact CD1-CE2 3.48Å; I214-Y246 VanDerWaalsContact CD1-CE2 3.48Å; I214-Y246 HydrophobicContact CG1-CD2 3.97Å; I214-Y246 HydrophobicContact CG1-CE2 3.77Å; I214-Y246 HydrophobicContact CG2-CD1 4.31Å; I214-Y246 HydrophobicContact CG2-CD2 4.35Å; I214-Y246 HydrophobicContact CG2-CG 4.18Å
215	A	91.6	Very high	82.1	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127	171.8	0	0	0	0	0	110.1	Y197 P198 V199 I201 E220 T221	Y197-A215 WeakPolarHBondContact CD1-O 3.47Å; P198-A215 WeakPolarHBondContact CA-O 3.47Å; V199-A215 HydrophobicContact CG2-CB 4.13Å; V199-A215 PolarHBondContact N-O 2.65Å; V199-A215 PolarHBondContact O-N 2.85Å; I201-A215 HydrophobicContact CD1-CB 4.39Å; A215-E220 HydrophobicContact CB-CB 4.02Å; A215-T221 VanDerWaalsContact CB-OG1 3.3Å; A215-T221 WeakPolarHBondContact CB-OG1 3.35Å
216	W	93.1	Very high	82.7	Confident	140 Å²	140	57.1 Å²	57.1	53%	0.53	29%	0.293	S	S	.	.	S	Bend	trans	-96.5	-14.9	-179.2	-62.8	90.8	0	0	0	112.9	Y197 P198 I214 E220	Y197-W216 WeakPolarHBondContact CB-O 3.46Å; P198-W216 HydrophobicContact CB-CD2 3.95Å; P198-W216 HydrophobicContact CB-CE3 3.63Å; P198-W216 HydrophobicContact CB-CH2 4.38Å; P198-W216 HydrophobicContact CB-CZ3 3.88Å; P198-W216 HydrophobicContact CG-CE3 3.91Å; P198-W216 HydrophobicContact CG-CH2 4.15Å; P198-W216 HydrophobicContact CG-CZ3 3.65Å; I214-W216 HydrophobicContact CG2-CZ2 4.27Å; W216-E220 WeakPolarHBondContact CB-OE2 3.38Å; W216-E220 PolarHBondContact N-OE2 3.38Å
217	N	94.2	Very high	83.6	Confident	63 Å²	63	59.5 Å²	59.5	34%	0.337	30%	0.297	S	S	.	.	S	Bend	trans	-154.3	177.6	-178.3	57.9	65.1	0	0	0	111.5	Y197 E219 E220 T221	Y197-N217 VanDerWaalsContact CZ-C 3.49Å; N217-E219 VanDerWaalsContact C-N 3.33Å; N217-E219 PolarHBondContact O-N 2.88Å; N217-E219 PolarHBondContact OD1-N 2.88Å; N217-E219 VanDerWaalsContact OD1-N 3.09Å; N217-E220 VanDerWaalsContact ND2-CD 3.34Å; N217-E220 PolarHBondContact ND2-OE1 2.82Å; N217-E220 PolarHBondContact OD1-N 3.18Å; N217-T221 WeakPolarHBondContact O-CB 3.34Å; N217-T221 PolarHBondContact O-N 2.86Å; N217-T221 PolarHBondContact O-OG1 2.88Å
218	D	95.7	Very high	84.6	Confident	51 Å²	51	57.5 Å²	57.5	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-39.1	-178.2	-67.1	-9.3	0	0	0	113	V189 Q193 Y197 T221 R222	V189-D218 HydrophobicContact CG1-CB 3.95Å; V189-D218 HydrophobicContact CG2-CB 4.47Å; Q193-D218 PolarHBondContact NE2-OD1 2.95Å; Q193-D218 PolarHBondContact NE2-OD2 2.74Å; Y197-D218 WeakPolarHBondContact CE2-OD1 3.48Å; Y197-D218 VanDerWaalsContact CZ-OD1 3.28Å; Y197-D218 VanDerWaalsContact OH-CA 3.3Å; Y197-D218 WeakPolarHBondContact OH-CA 3.37Å; Y197-D218 PolarHBondContact OH-N 3.16Å; Y197-D218 PolarHBondContact OH-OD1 3.47Å; D218-T221 WeakPolarHBondContact O-CB 3.26Å; D218-T221 PolarHBondContact O-N 2.62Å; D218-R222 PolarHBondContact O-N 3.41Å; D218-R222 VanDerWaalsContact O-N 3.09Å
219	E	92.6	Very high	85.7	Confident	106 Å²	106	55.9 Å²	55.9	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-70.6	-46.9	-176.2	-167	60.2	-165	0	0	111.2	N217 T221 R222 E223	N217-E219 VanDerWaalsContact C-N 3.33Å; N217-E219 PolarHBondContact O-N 2.88Å; N217-E219 PolarHBondContact OD1-N 2.88Å; N217-E219 VanDerWaalsContact OD1-N 3.09Å; E219-T221 PolarHBondContact O-N 2.87Å; E219-R222 PolarHBondContact O-N 3.15Å; E219-R222 VanDerWaalsContact O-N 3.12Å; E219-R222 IonicContact OE2-NH1 3.96Å; E219-R222 PolarHBondContact OE2-NH1 3.18Å; E219-R222 VanDerWaalsContact OE2-NH1 3.09Å; E219-E223 PolarHBondContact O-N 2.75Å
220	E	92.3	Very high	86.6	Confident	70 Å²	70	60.5 Å²	60.5	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-30.1	172.4	-71.4	173.6	-150.7	0	0	112.3	A215 W216 N217 G224	A215-E220 HydrophobicContact CB-CB 4.02Å; W216-E220 WeakPolarHBondContact CB-OE2 3.38Å; W216-E220 PolarHBondContact N-OE2 3.38Å; N217-E220 VanDerWaalsContact ND2-CD 3.34Å; N217-E220 PolarHBondContact ND2-OE1 2.82Å; N217-E220 PolarHBondContact OD1-N 3.18Å; E220-G224 WeakPolarHBondContact O-CA 3.24Å; E220-G224 PolarHBondContact O-N 2.83Å
221	T	93.2	Very high	87.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-42.4	175.6	-59.7	0	0	0	0	111.5	A188 V189 A192 Y197 I201 A215 N217 D218 E219 F225	A188-T221 HydrophobicContact CB-CG2 3.93Å; V189-T221 HydrophobicContact CG2-CG2 4.04Å; A192-T221 HydrophobicContact CB-CG2 4.04Å; Y197-T221 VanDerWaalsContact CE1-OG1 3.27Å; Y197-T221 WeakPolarHBondContact CE1-OG1 3.4Å; Y197-T221 PolarHBondContact OH-OG1 2.89Å; I201-T221 HydrophobicContact CD1-CG2 4.34Å; A215-T221 VanDerWaalsContact CB-OG1 3.3Å; A215-T221 WeakPolarHBondContact CB-OG1 3.35Å; N217-T221 WeakPolarHBondContact O-CB 3.34Å; N217-T221 PolarHBondContact O-N 2.86Å; N217-T221 PolarHBondContact O-OG1 2.88Å; D218-T221 WeakPolarHBondContact O-CB 3.26Å; D218-T221 PolarHBondContact O-N 2.62Å; E219-T221 PolarHBondContact O-N 2.87Å; T221-F225 VanDerWaalsContact O-CB 3.3Å; T221-F225 WeakPolarHBondContact O-CB 3.38Å; T221-F225 PolarHBondContact O-N 3.02Å
222	R	90.5	Very high	87.6	Confident	71 Å²	71	58.6 Å²	58.6	27%	0.268	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-49.1	175.9	-68.7	-174.6	-173.8	87.3	17.3	111.4	A185 E186 V189 D218 E219 R226	A185-R222 HydrophobicContact CB-CG 4.48Å; E186-R222 IonicContact OE1-NE 2.72Å; E186-R222 PolarHBondContact OE1-NE 3.23Å; E186-R222 IonicContact OE2-CZ 3.29Å; E186-R222 IonicContact OE2-NE 3.1Å; E186-R222 PolarHBondContact OE2-NE 3.36Å; E186-R222 VanDerWaalsContact OE2-NE 3.13Å; E186-R222 IonicContact OE2-NH2 2.68Å; E186-R222 PolarHBondContact OE2-NH2 3.41Å; V189-R222 HydrophobicContact CG2-CG 3.67Å; D218-R222 PolarHBondContact O-N 3.41Å; D218-R222 VanDerWaalsContact O-N 3.09Å; E219-R222 PolarHBondContact O-N 3.15Å; E219-R222 VanDerWaalsContact O-N 3.12Å; E219-R222 IonicContact OE2-NH1 3.96Å; E219-R222 PolarHBondContact OE2-NH1 3.18Å; E219-R222 VanDerWaalsContact OE2-NH1 3.09Å; R222-R226 PolarHBondContact O-N 3.07Å; R222-R226 VanDerWaalsContact O-N 3.15Å
223	E	88.2	Confident	87.6	Confident	88 Å²	88	58.1 Å²	58.1	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-47.4	178.7	-68.4	-162.3	145.9	0	0	111.2	E219 F225 R226 F227	E219-E223 PolarHBondContact O-N 2.75Å; E223-F225 VanDerWaalsContact C-N 3.33Å; E223-F225 PolarHBondContact O-N 3.36Å; E223-R226 PolarHBondContact O-N 3.49Å; E223-F227 HydrophobicContact CB-CD2 4.18Å; E223-F227 HydrophobicContact CB-CE2 3.99Å; E223-F227 WeakPolarHBondContact O-CD2 3.32Å; E223-F227 WeakPolarHBondContact O-CG 3.35Å; E223-F227 PolarHBondContact O-N 3.05Å
224	G	87.8	Confident	87	Confident	7 Å²	7	58 Å²	58	7%	0.072	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-41.9	178.9	0	0	0	0	0	112.6	E220 S228	E220-G224 WeakPolarHBondContact O-CA 3.24Å; E220-G224 PolarHBondContact O-N 2.83Å; G224-S228 WeakPolarHBondContact O-CB 3.38Å; G224-S228 PolarHBondContact O-N 3.36Å; G224-S228 PolarHBondContact O-OG 2.85Å
225	F	89.9	Confident	86	Confident	20 Å²	20	58 Å²	58	9%	0.088	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-48.7	175.4	-179.8	-89.5	0	0	0	111.2	V182 A185 A188 T221 E223 F227 S228 S229 L241	V182-F225 HydrophobicContact CB-CE2 3.91Å; V182-F225 HydrophobicContact CG1-CD2 4.09Å; V182-F225 HydrophobicContact CG1-CE2 3.63Å; V182-F225 HydrophobicContact CG1-CZ 4.49Å; A185-F225 HydrophobicContact CB-CD1 3.97Å; A185-F225 HydrophobicContact CB-CG 4.49Å; A188-F225 HydrophobicContact CB-CB 4.15Å; A188-F225 HydrophobicContact CB-CD2 3.75Å; A188-F225 HydrophobicContact CB-CE2 4.5Å; A188-F225 HydrophobicContact CB-CG 4.09Å; T221-F225 VanDerWaalsContact O-CB 3.3Å; T221-F225 WeakPolarHBondContact O-CB 3.38Å; T221-F225 PolarHBondContact O-N 3.02Å; E223-F225 VanDerWaalsContact C-N 3.33Å; E223-F225 PolarHBondContact O-N 3.36Å; F225-F227 PolarHBondContact O-N 2.96Å; F225-S228 PolarHBondContact O-N 2.92Å; F225-S229 VanDerWaalsContact O-CB 3.28Å; F225-S229 WeakPolarHBondContact O-CB 3.36Å; F225-S229 PolarHBondContact O-N 2.87Å; F225-L241 HydrophobicContact CD2-CB 4.48Å; F225-L241 HydrophobicContact CD2-CD1 3.57Å; F225-L241 HydrophobicContact CE2-CB 4.17Å; F225-L241 HydrophobicContact CE2-CD1 3.71Å; F225-L241 HydrophobicContact CE2-CG 4.34Å; F225-L241 HydrophobicContact CG-CD1 4.1Å; F225-L241 HydrophobicContact CZ-CD1 4.36Å; F225-L241 WeakPolarHBondContact O-CD1 3.26Å
226	R	84.6	Confident	85.2	Confident	128 Å²	128	61.5 Å²	61.5	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-49.7	-179.9	-174.7	-176.6	68.4	178.8	-4.3	111.4	R222 E223 Q230	R222-R226 PolarHBondContact O-N 3.07Å; R222-R226 VanDerWaalsContact O-N 3.15Å; E223-R226 PolarHBondContact O-N 3.49Å; R226-Q230 WeakPolarHBondContact O-CG 3.36Å; R226-Q230 PolarHBondContact O-N 2.86Å
227	F	83.3	Confident	84.4	Confident	74 Å²	74	58.2 Å²	58.2	33%	0.325	31%	0.314	S	S	.	.	H	α-helix	trans	-67.9	-44.1	-178.4	-68	-52.3	0	0	0	112	E223 F225 S229 Q230 E231	E223-F227 HydrophobicContact CB-CD2 4.18Å; E223-F227 HydrophobicContact CB-CE2 3.99Å; E223-F227 WeakPolarHBondContact O-CD2 3.32Å; E223-F227 WeakPolarHBondContact O-CG 3.35Å; E223-F227 PolarHBondContact O-N 3.05Å; F225-F227 PolarHBondContact O-N 2.96Å; F227-S229 VanDerWaalsContact C-N 3.3Å; F227-S229 PolarHBondContact O-N 2.9Å; F227-Q230 PolarHBondContact O-N 2.69Å; F227-E231 WeakPolarHBondContact O-CB 3.31Å; F227-E231 PolarHBondContact O-N 2.64Å
228	S	85.6	Confident	83.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-35	-179.7	-53.3	0	0	0	0	112	R213 G224 F225 A232	R213-S228 WeakPolarHBondContact CD-OG 3.49Å; G224-S228 WeakPolarHBondContact O-CB 3.38Å; G224-S228 PolarHBondContact O-N 3.36Å; G224-S228 PolarHBondContact O-OG 2.85Å; F225-S228 PolarHBondContact O-N 2.92Å; S228-A232 WeakPolarHBondContact O-CB 3.37Å; S228-A232 PolarHBondContact O-N 2.68Å
229	S	82.8	Confident	83.1	Confident	26 Å²	26	59 Å²	59	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-44.4	177.4	177.8	0	0	0	0	111.5	F225 F227 A232 A233	F225-S229 VanDerWaalsContact O-CB 3.28Å; F225-S229 WeakPolarHBondContact O-CB 3.36Å; F225-S229 PolarHBondContact O-N 2.87Å; F227-S229 VanDerWaalsContact C-N 3.3Å; F227-S229 PolarHBondContact O-N 2.9Å; S229-A232 PolarHBondContact O-N 2.84Å; S229-A233 VanDerWaalsContact O-CB 3.31Å; S229-A233 WeakPolarHBondContact O-CB 3.32Å; S229-A233 PolarHBondContact O-N 3.06Å
230	Q	81.4	Confident	82.9	Confident	117 Å²	117	57.8 Å²	57.8	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-42.2	176.3	-70.6	173.9	-5.2	0	0	112.1	R226 F227 S234	R226-Q230 WeakPolarHBondContact O-CG 3.36Å; R226-Q230 PolarHBondContact O-N 2.86Å; F227-Q230 PolarHBondContact O-N 2.69Å; Q230-S234 WeakPolarHBondContact O-CB 3.27Å; Q230-S234 PolarHBondContact O-N 3.39Å; Q230-S234 PolarHBondContact O-OG 2.92Å
231	E	79.2	Confident	82.7	Confident	54 Å²	54	54.4 Å²	54.4	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-43.2	177.5	-169.4	179.4	155.9	0	0	111.5	G211 R213 F227 S234 S235	G211-E231 PolarHBondContact N-OE1 3.09Å; R213-E231 IonicContact CZ-OE2 3.86Å; R213-E231 IonicContact NE-OE2 2.96Å; R213-E231 IonicContact NH2-OE2 2.73Å; R213-E231 PolarHBondContact NH2-OE2 3.44Å; F227-E231 WeakPolarHBondContact O-CB 3.31Å; F227-E231 PolarHBondContact O-N 2.64Å; E231-S234 WeakPolarHBondContact CA-OG 3.4Å; E231-S234 PolarHBondContact O-OG 3.18Å; E231-S235 WeakPolarHBondContact O-CB 3.34Å; E231-S235 PolarHBondContact O-N 2.87Å; E231-S235 PolarHBondContact O-OG 3.46Å
232	A	77.9	Confident	82.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-44.4	177.6	0	0	0	0	0	111.9	A203 S228 S229 S234 S235 F236 G237 D238 L241	A203-A232 HydrophobicContact CB-CB 3.64Å; S228-A232 WeakPolarHBondContact O-CB 3.37Å; S228-A232 PolarHBondContact O-N 2.68Å; S229-A232 PolarHBondContact O-N 2.84Å; A232-S234 PolarHBondContact O-N 3.2Å; A232-S235 PolarHBondContact O-N 2.88Å; A232-F236 WeakPolarHBondContact O-CA 3.49Å; A232-F236 WeakPolarHBondContact O-CB 3.28Å; A232-F236 PolarHBondContact O-N 2.79Å; A232-G237 PolarHBondContact O-N 3.18Å; A232-D238 CarbonylContact C-O 3.58Å; A232-D238 WeakPolarHBondContact CB-O 3.37Å; A232-L241 HydrophobicContact CB-CD2 4.32Å
233	A	78.8	Confident	82.5	Confident	45 Å²	45	51.4 Å²	51.4	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.1	0	0	0	0	0	112.2	S229 G237 D238 D239	S229-A233 VanDerWaalsContact O-CB 3.31Å; S229-A233 WeakPolarHBondContact O-CB 3.32Å; S229-A233 PolarHBondContact O-N 3.06Å; A233-G237 VanDerWaalsContact O-CA 3.27Å; A233-G237 WeakPolarHBondContact O-CA 3.18Å; A233-G237 PolarHBondContact O-N 2.88Å; A233-D238 PolarHBondContact N-O 3.11Å; A233-D239 HydrophobicContact CB-CB 4.17Å
234	S	74.4	Confident	82.7	Confident	96 Å²	96	48 Å²	48	67%	0.671	27%	0.266	S	S	*	.	H	α-helix	trans	-72.2	-35.7	179.8	54.9	0	0	0	0	113.2	Q230 E231 A232	Q230-S234 WeakPolarHBondContact O-CB 3.27Å; Q230-S234 PolarHBondContact O-N 3.39Å; Q230-S234 PolarHBondContact O-OG 2.92Å; E231-S234 WeakPolarHBondContact CA-OG 3.4Å; E231-S234 PolarHBondContact O-OG 3.18Å; A232-S234 PolarHBondContact O-N 3.2Å
235	S	69.3	Low	82.9	Confident	61 Å²	61	50.2 Å²	50.2	43%	0.427	27%	0.274	S	S	.	.	H	α-helix	trans	-86.4	-35.5	-175.6	-59.2	0	0	0	0	113.6	E231 A232	E231-S235 WeakPolarHBondContact O-CB 3.34Å; E231-S235 PolarHBondContact O-N 2.87Å; E231-S235 PolarHBondContact O-OG 3.46Å; A232-S235 PolarHBondContact O-N 2.88Å
236	F	73.8	Confident	82.8	Confident	74 Å²	74	50.6 Å²	50.6	33%	0.325	28%	0.275	S	S	.	.	H	α-helix	trans	-127.2	-6.9	-168.8	-52.2	-63.5	0	0	0	113.9	A205 K210 A232 D238	A205-F236 HydrophobicContact CB-CB 4.15Å; A205-F236 WeakPolarHBondContact O-CD2 3.31Å; K210-F236 HydrophobicContact CB-CE2 4.09Å; K210-F236 HydrophobicContact CB-CZ 3.9Å; K210-F236 HydrophobicContact CD-CZ 4.28Å; A232-F236 WeakPolarHBondContact O-CA 3.49Å; A232-F236 WeakPolarHBondContact O-CB 3.28Å; A232-F236 PolarHBondContact O-N 2.79Å; F236-D238 PolarHBondContact O-N 3.03Å
237	G	77.1	Confident	82.9	Confident	72 Å²	72	45.5 Å²	45.5	74%	0.742	26%	0.257	S	S	*	.	S	Bend	trans	67	17.9	-175.5	0	0	0	0	0	113.6	A232 A233	A232-G237 PolarHBondContact O-N 3.18Å; A233-G237 VanDerWaalsContact O-CA 3.27Å; A233-G237 WeakPolarHBondContact O-CA 3.18Å; A233-G237 PolarHBondContact O-N 2.88Å
238	D	79.3	Confident	82.6	Confident	30 Å²	30	46.3 Å²	46.3	16%	0.16	27%	0.265	C	S	.	.			trans	-134.8	119.2	-179.1	-172.2	-13.3	0	0	0	108.5	A205 A232 A233 F236 R240	A205-D238 HydrophobicContact CB-CB 3.82Å; A232-D238 CarbonylContact C-O 3.58Å; A232-D238 WeakPolarHBondContact CB-O 3.37Å; A233-D238 PolarHBondContact N-O 3.11Å; F236-D238 PolarHBondContact O-N 3.03Å; D238-R240 VanDerWaalsContact OD1-CB 3.25Å; D238-R240 WeakPolarHBondContact OD1-CB 3.48Å; D238-R240 WeakPolarHBondContact OD1-CG 3.38Å; D238-R240 IonicContact OD1-CZ 3.03Å; D238-R240 PolarHBondContact OD1-N 3.24Å; D238-R240 IonicContact OD1-NE 3.92Å; D238-R240 PolarHBondContact OD1-NE 2.79Å; D238-R240 IonicContact OD2-CZ 3.13Å; D238-R240 VanDerWaalsContact OD2-CZ 3.3Å; D238-R240 IonicContact OD2-NE 3.85Å; D238-R240 PolarHBondContact OD2-NE 3.1Å; D238-R240 VanDerWaalsContact OD2-NE 3.1Å; D238-R240 IonicContact OD2-NH2 3.03Å; D238-R240 PolarHBondContact OD2-NH2 3.19Å
239	D	83.5	Confident	82.4	Confident	99 Å²	99	49.2 Å²	49.2	53%	0.529	28%	0.281	S	S	.	.			trans	-98.1	2.5	-175.9	66.5	-12.6	0	0	0	113.2	A233 L241	A233-D239 HydrophobicContact CB-CB 4.17Å; D239-L241 PolarHBondContact O-N 3.14Å
240	R	88.6	Confident	82.8	Confident	81 Å²	81	48.3 Å²	48.3	31%	0.306	27%	0.274	S	S	.	.			trans	-67.9	127.6	-179.6	-63.6	179.8	-63.6	151.4	1	110.5	D159 V181 S204 D238	D159-R240 IonicContact OD2-CZ 2.9Å; D159-R240 IonicContact OD2-NH1 3.14Å; D159-R240 PolarHBondContact OD2-NH1 2.7Å; D159-R240 IonicContact OD2-NH2 3.72Å; D159-R240 PolarHBondContact OD2-NH2 2.83Å; V181-R240 HydrophobicContact CG1-CB 3.82Å; V181-R240 HydrophobicContact CG1-CG 3.87Å; V181-R240 HydrophobicContact CG2-CB 4.26Å; V181-R240 HydrophobicContact CG2-CG 4.23Å; S204-R240 VanDerWaalsContact CB-O 3.23Å; S204-R240 WeakPolarHBondContact CB-O 3.45Å; S204-R240 PolarHBondContact N-O 3.31Å; D238-R240 VanDerWaalsContact OD1-CB 3.25Å; D238-R240 WeakPolarHBondContact OD1-CB 3.48Å; D238-R240 WeakPolarHBondContact OD1-CG 3.38Å; D238-R240 IonicContact OD1-CZ 3.03Å; D238-R240 PolarHBondContact OD1-N 3.24Å; D238-R240 IonicContact OD1-NE 3.92Å; D238-R240 PolarHBondContact OD1-NE 2.79Å; D238-R240 IonicContact OD2-CZ 3.13Å; D238-R240 VanDerWaalsContact OD2-CZ 3.3Å; D238-R240 IonicContact OD2-NE 3.85Å; D238-R240 PolarHBondContact OD2-NE 3.1Å; D238-R240 VanDerWaalsContact OD2-NE 3.1Å; D238-R240 IonicContact OD2-NH2 3.03Å; D238-R240 PolarHBondContact OD2-NH2 3.19Å
241	L	88.3	Confident	83.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.7	177.5	-57.6	-175.6	0	0	0	112	V182 I201 K202 A203 F225 A232 D239	V182-L241 PolarHBondContact N-O 3.39Å; I201-L241 HydrophobicContact CG2-CD1 3.99Å; K202-L241 CarbonylContact O-C 3.55Å; K202-L241 WeakPolarHBondContact O-CA 3.34Å; A203-L241 HydrophobicContact CB-CD2 4.15Å; F225-L241 HydrophobicContact CD2-CB 4.48Å; F225-L241 HydrophobicContact CD2-CD1 3.57Å; F225-L241 HydrophobicContact CE2-CB 4.17Å; F225-L241 HydrophobicContact CE2-CD1 3.71Å; F225-L241 HydrophobicContact CE2-CG 4.34Å; F225-L241 HydrophobicContact CG-CD1 4.1Å; F225-L241 HydrophobicContact CZ-CD1 4.36Å; F225-L241 WeakPolarHBondContact O-CD1 3.26Å; A232-L241 HydrophobicContact CB-CD2 4.32Å; D239-L241 PolarHBondContact O-N 3.14Å
242	L	89.1	Confident	84.4	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152	172.6	63.9	96.8	0	0	0	110.5	K160 I161 K202 E244	K160-L242 HydrophobicContact CB-CD2 3.69Å; K160-L242 HydrophobicContact CD-CD2 4.45Å; I161-L242 HydrophobicContact CG1-CD2 4.14Å; K202-L242 HydrophobicContact CB-CD1 3.84Å; K202-L242 HydrophobicContact CB-CG 4.01Å; K202-L242 HydrophobicContact CD-CD1 4.1Å; K202-L242 HydrophobicContact CG-CD1 4.21Å; K202-L242 PolarHBondContact N-O 3.5Å; K202-L242 PolarHBondContact O-N 2.83Å; L242-E244 HydrophobicContact CD1-CG 3.61Å
243	I	90.6	Very high	85.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	179.4	-60.5	176.8	0	0	0	109.4	G177 F178 V182 A188 I191 I195 V199 M200 I201	G177-I243 WeakPolarHBondContact CA-O 3.49Å; F178-I243 PolarHBondContact N-O 3.22Å; V182-I243 HydrophobicContact CG1-CD1 4.29Å; V182-I243 HydrophobicContact CG2-CD1 4.03Å; V182-I243 HydrophobicContact CG2-CG1 3.98Å; A188-I243 VanDerWaalsContact CA-CD1 3.45Å; A188-I243 HydrophobicContact CB-CD1 3.46Å; A188-I243 VanDerWaalsContact CB-CD1 3.46Å; I191-I243 HydrophobicContact CG2-CB 3.96Å; I191-I243 HydrophobicContact CG2-CD1 4.34Å; I191-I243 HydrophobicContact CG2-CG2 4.13Å; I195-I243 HydrophobicContact CD1-CB 4.47Å; I195-I243 HydrophobicContact CD1-CG2 3.89Å; V199-I243 HydrophobicContact CB-CG2 3.9Å; V199-I243 HydrophobicContact CG1-CG2 4.38Å; V199-I243 HydrophobicContact CG2-CG2 4Å; M200-I243 WeakPolarHBondContact O-CA 3.29Å; I201-I243 HydrophobicContact CG1-CG1 4.23Å
244	E	91.3	Very high	86.3	Confident	15 Å²	15	39.6 Å²	39.6	7%	0.07	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	158.5	-178.3	-64.8	-174.6	136.9	0	0	111.1	K164 I175 V199 M200 K202 L242 Y246	K164-E244 IonicContact NZ-OE1 3.52Å; K164-E244 PolarHBondContact NZ-OE1 3.34Å; I175-E244 HydrophobicContact CG2-CB 3.95Å; V199-E244 CarbonylContact C-O 3.55Å; V199-E244 WeakPolarHBondContact CA-O 3.44Å; V199-E244 WeakPolarHBondContact CB-O 3.38Å; M200-E244 PolarHBondContact N-O 3.12Å; M200-E244 PolarHBondContact O-N 2.76Å; K202-E244 WeakPolarHBondContact CE-OE2 3.33Å; K202-E244 IonicContact NZ-OE2 3.57Å; K202-E244 PolarHBondContact NZ-OE2 3.36Å; L242-E244 HydrophobicContact CD1-CG 3.61Å; E244-Y246 PolarHBondContact O-N 3.16Å
245	K	91.4	Very high	87.5	Confident	54 Å²	54	35 Å²	35	24%	0.235	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.1	171.3	-175.5	62	-175.5	161.1	0	109.4	I175 P176 I195 G196 Y197 P198 I247	I175-K245 HydrophobicContact CG2-CB 4.14Å; I175-K245 WeakPolarHBondContact CG2-O 3.44Å; P176-K245 HydrophobicContact CB-CB 4.25Å; P176-K245 WeakPolarHBondContact O-CB 3.24Å; P176-K245 PolarHBondContact O-N 2.89Å; I195-K245 HydrophobicContact CG2-CB 3.77Å; I195-K245 HydrophobicContact CG2-CD 3.8Å; I195-K245 HydrophobicContact CG2-CG 4.38Å; G196-K245 PolarHBondContact O-NZ 3.41Å; Y197-K245 PolarHBondContact O-NZ 3.34Å; P198-K245 PolarHBondContact O-NZ 2.8Å; P198-K245 VanDerWaalsContact O-NZ 3.15Å; K245-I247 HydrophobicContact CG-CD1 4.39Å; K245-I247 PolarHBondContact O-N 3.23Å
246	Y	88.9	Confident	88.9	Confident	28 Å²	28	32.1 Å²	32.1	11%	0.11	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-77.1	123.4	168.8	-178	-109.6	0	0	0	108.7	P198 M200 I214 E244 D248	P198-Y246 HydrophobicContact CB-CD1 4.11Å; P198-Y246 HydrophobicContact CB-CG 4.45Å; P198-Y246 HydrophobicContact CG-CD1 3.7Å; P198-Y246 HydrophobicContact CG-CG 4.34Å; P198-Y246 PolarHBondContact O-N 3.23Å; M200-Y246 HydrophobicContact CB-CD2 4.43Å; M200-Y246 HydrophobicContact CE-CD2 3.73Å; M200-Y246 HydrophobicContact CE-CE2 3.78Å; I214-Y246 HydrophobicContact CD1-CD2 4.17Å; I214-Y246 HydrophobicContact CD1-CE1 4.35Å; I214-Y246 HydrophobicContact CD1-CE2 3.48Å; I214-Y246 VanDerWaalsContact CD1-CE2 3.48Å; I214-Y246 HydrophobicContact CG1-CD2 3.97Å; I214-Y246 HydrophobicContact CG1-CE2 3.77Å; I214-Y246 HydrophobicContact CG2-CD1 4.31Å; I214-Y246 HydrophobicContact CG2-CD2 4.35Å; I214-Y246 HydrophobicContact CG2-CG 4.18Å; E244-Y246 PolarHBondContact O-N 3.16Å; Y246-D248 HydrophobicContact CE1-CB 4.47Å
247	I	85.6	Confident	90.1	Very high	21 Å²	21	28.6 Å²	28.6	11%	0.108	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-88.2	119	171.9	-53.2	-57.2	0	0	0	106.5	K245 P250 D323 Y329	K245-I247 HydrophobicContact CG-CD1 4.39Å; K245-I247 PolarHBondContact O-N 3.23Å; I247-P250 HydrophobicContact CB-CB 4.3Å; I247-P250 HydrophobicContact CG2-CB 3.96Å; I247-P250 VanDerWaalsContact O-CD 3.31Å; I247-P250 WeakPolarHBondContact O-CD 3.47Å; I247-D323 HydrophobicContact CG2-CB 3.8Å; I247-Y329 HydrophobicContact CD1-CD2 4.25Å; I247-Y329 HydrophobicContact CD1-CE2 4.02Å; I247-Y329 HydrophobicContact CG1-CD2 4.32Å; I247-Y329 HydrophobicContact CG1-CE2 4.49Å
248	D	77.8	Confident	91.1	Very high	91 Å²	91	25.3 Å²	25.3	49%	0.487	12%	0.122	S	C	.	.	S	Bend	trans	-78.1	138.3	179.6	-172.6	29.8	0	0	0	110.9	Y246	Y246-D248 HydrophobicContact CE1-CB 4.47Å
249	N	81.9	Confident	92	Very high	62 Å²	62	23.9 Å²	23.9	33%	0.332	12%	0.115	S	C	.	.	S	Bend	trans	43.9	52.6	-176.4	-64.4	-53.2	0	0	0	115.1	N485 E489	N249-N485 PolarHBondContact OD1-ND2 3.23Å; N249-E489 PolarHBondContact OD1-OE1 3.36Å
250	P	91.8	Very high	92.6	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.039	9%	0.091	C	C	.	.			trans	-74.3	157.6	-177.4	33.1	-32.3	0	0	0	110.7	I247 L321 S483 T484	I247-P250 HydrophobicContact CB-CB 4.3Å; I247-P250 HydrophobicContact CG2-CB 3.96Å; I247-P250 VanDerWaalsContact O-CD 3.31Å; I247-P250 WeakPolarHBondContact O-CD 3.47Å; P250-L321 HydrophobicContact CB-CB 4.27Å; P250-L321 HydrophobicContact CB-CD2 4.15Å; P250-L321 HydrophobicContact CG-CD2 4.29Å; P250-S483 WeakPolarHBondContact O-CA 3.3Å; P250-T484 WeakPolarHBondContact CD-OG1 3.37Å; P250-T484 HydrophobicContact CG-CG2 4.34Å; P250-T484 WeakPolarHBondContact CG-OG1 3.43Å; P250-T484 PolarHBondContact O-N 2.92Å; P250-T484 PolarHBondContact O-OG1 3.22Å
251	R	96.2	Very high	92.9	Very high	22 Å²	22	20.2 Å²	20.2	8%	0.083	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.7	162	-68.7	176.4	-179.8	-110.1	1.9	109.2	I253 E272 S274 F290 V322 G480 I482	R251-I253 HydrophobicContact CB-CD1 4.04Å; R251-I253 HydrophobicContact CB-CG1 4.13Å; R251-I253 PolarHBondContact O-N 3.25Å; R251-E272 WeakPolarHBondContact CD-OE1 3.3Å; R251-E272 IonicContact CZ-OE1 3.98Å; R251-E272 IonicContact NE-OE1 3.61Å; R251-E272 IonicContact NH1-OE1 2.82Å; R251-E272 PolarHBondContact NH1-OE1 2.98Å; R251-E272 IonicContact NH1-OE2 3.1Å; R251-S274 WeakPolarHBondContact CA-OG 3.31Å; R251-S274 WeakPolarHBondContact CB-OG 3.15Å; R251-F290 VanDerWaalsContact CD-CG 3.44Å; R251-V322 HydrophobicContact CB-CB 4.43Å; R251-V322 PolarHBondContact N-O 3Å; R251-V322 PolarHBondContact O-N 3.05Å; R251-G480 PolarHBondContact NH1-O 2.8Å; R251-G480 PolarHBondContact NH2-O 3.05Å; R251-I482 PolarHBondContact NE-O 3.36Å; R251-I482 PolarHBondContact NH2-O 3.37Å
252	H	97.1	Very high	93.3	Very high	11 Å²	11	24.2 Å²	24.2	5%	0.051	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	104.1	174.2	-171.2	164.1	0	0	0	107.6	C273 S274 E319 T484	H252-C273 PolarHBondContact O-N 2.65Å; H252-S274 PolarHBondContact N-OG 3.48Å; H252-S274 VanDerWaalsContact N-OG 3.11Å; H252-E319 IonicContact CE1-OE2 3.45Å; H252-E319 PolarHBondContact CE1-OE2 2.79Å; H252-E319 VanDerWaalsContact CE1-OE2 3.29Å; H252-E319 VanDerWaalsContact NE2-CD 3.34Å; H252-E319 IonicContact NE2-OE1 2.68Å; H252-E319 IonicContact NE2-OE2 3.96Å; H252-E319 PolarHBondContact NE2-OE2 3.1Å; H252-T484 HydrophobicContact CB-CG2 3.95Å
253	I	98.3	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.5	-179.2	-60.4	171.6	0	0	0	109	R251 E270 R271 E272 S288 F290 L291 M299 F320 V322	R251-I253 HydrophobicContact CB-CD1 4.04Å; R251-I253 HydrophobicContact CB-CG1 4.13Å; R251-I253 PolarHBondContact O-N 3.25Å; I253-E270 HydrophobicContact CG2-CB 3.8Å; I253-E270 HydrophobicContact CG2-CG 3.8Å; I253-R271 CarbonylContact C-O 3.58Å; I253-R271 WeakPolarHBondContact CA-O 3.43Å; I253-E272 HydrophobicContact CG1-CB 4.19Å; I253-E272 HydrophobicContact CG1-CG 3.97Å; I253-S288 WeakPolarHBondContact CD1-OG 3.49Å; I253-F290 HydrophobicContact CD1-CD1 4.49Å; I253-L291 HydrophobicContact CD1-CD1 4.48Å; I253-L291 HydrophobicContact CD1-CD2 3.76Å; I253-L291 HydrophobicContact CD1-CG 3.95Å; I253-L291 HydrophobicContact CG2-CD1 3.93Å; I253-L291 HydrophobicContact CG2-CG 4.5Å; I253-M299 HydrophobicContact CB-CE 4.18Å; I253-M299 HydrophobicContact CG2-CE 3.86Å; I253-F320 PolarHBondContact N-O 3.27Å; I253-F320 CarbonylContact O-C 3.58Å; I253-F320 WeakPolarHBondContact O-CA 3.5Å; I253-F320 WeakPolarHBondContact O-CB 3.46Å; I253-F320 PolarHBondContact O-N 3.35Å; I253-V322 HydrophobicContact CB-CG2 3.95Å; I253-V322 HydrophobicContact CD1-CB 4.15Å; I253-V322 HydrophobicContact CD1-CG2 3.86Å; I253-V322 HydrophobicContact CG1-CG2 4.21Å
254	E	98.4	Very high	93.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.3	-172.3	62.6	174.8	-143.9	0	0	111.9	E270 R271 K281 T317 V318 E319 E340	E254-E270 CarbonylContact O-C 3.53Å; E254-E270 WeakPolarHBondContact O-CA 3.11Å; E254-E270 WeakPolarHBondContact O-CB 3.44Å; E254-R271 HydrophobicContact CG-CB 3.91Å; E254-R271 PolarHBondContact N-O 3.21Å; E254-R271 PolarHBondContact O-N 3.05Å; E254-R271 IonicContact OE1-CZ 3.6Å; E254-R271 IonicContact OE1-NE 3.83Å; E254-R271 PolarHBondContact OE1-NE 2.98Å; E254-R271 IonicContact OE1-NH2 3.66Å; E254-R271 PolarHBondContact OE1-NH2 3.21Å; E254-K281 IonicContact OE1-NZ 3.68Å; E254-K281 IonicContact OE2-NZ 3.96Å; E254-K281 PolarHBondContact OE2-NZ 2.94Å; E254-T317 HydrophobicContact CB-CG2 3.62Å; E254-T317 HydrophobicContact CG-CG2 3.91Å; E254-V318 CarbonylContact C-O 3.58Å; E254-V318 WeakPolarHBondContact CA-O 3.35Å; E254-E319 HydrophobicContact CB-CB 4.48Å; E254-E319 HydrophobicContact CB-CG 4.04Å; E254-E340 WeakPolarHBondContact OE1-CG 3.36Å; E254-E340 VanDerWaalsContact OE1-OE1 3.09Å
255	I	98.8	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.6	-178.8	-58.8	-67.1	0	0	0	109.4	V257 W267 E270 M299 A303 T317 V318 F320	I255-V257 HydrophobicContact CG2-CG1 4.26Å; I255-V257 PolarHBondContact O-N 3Å; I255-W267 HydrophobicContact CG2-CB 3.62Å; I255-W267 HydrophobicContact CG2-CG 4.49Å; I255-E270 HydrophobicContact CD1-CB 3.54Å; I255-M299 HydrophobicContact CD1-CB 3.95Å; I255-M299 HydrophobicContact CG1-CB 4.1Å; I255-A303 HydrophobicContact CB-CB 3.82Å; I255-A303 HydrophobicContact CG1-CB 4.25Å; I255-A303 HydrophobicContact CG2-CB 3.64Å; I255-T317 WeakPolarHBondContact O-CA 3.49Å; I255-V318 PolarHBondContact N-O 3.14Å; I255-V318 PolarHBondContact O-N 2.68Å; I255-F320 HydrophobicContact CB-CE2 4.49Å; I255-F320 HydrophobicContact CG1-CD2 4.17Å; I255-F320 HydrophobicContact CG1-CE2 3.88Å
256	Q	98.7	Very high	94.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.1	168.4	-177.2	60.4	62.6	0	0	109.2	W267 L268 N269 G316 T344 L352	Q256-W267 CarbonylContact O-C 3.56Å; Q256-W267 VanDerWaalsContact O-CA 3.27Å; Q256-W267 WeakPolarHBondContact O-CA 3.37Å; Q256-L268 HydrophobicContact CB-CB 3.97Å; Q256-L268 HydrophobicContact CG-CB 3.84Å; Q256-L268 HydrophobicContact CG-CD1 4Å; Q256-L268 HydrophobicContact CG-CG 4.2Å; Q256-L268 PolarHBondContact O-N 3.34Å; Q256-N269 PolarHBondContact N-O 3.48Å; Q256-G316 PolarHBondContact NE2-O 2.8Å; Q256-T344 HydrophobicContact CB-CG2 4.14Å; Q256-T344 HydrophobicContact CG-CG2 4.07Å; Q256-L352 HydrophobicContact CG-CD1 4.25Å
257	V	98.5	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.3	169.6	-63.4	0	0	0	0	110.8	I255 L266 A303 A307 A315 G316 V318 M333	I255-V257 HydrophobicContact CG2-CG1 4.26Å; I255-V257 PolarHBondContact O-N 3Å; V257-L266 WeakPolarHBondContact CA-O 3.39Å; V257-A303 HydrophobicContact CG1-CB 3.83Å; V257-A307 HydrophobicContact CG2-CB 4.46Å; V257-A315 WeakPolarHBondContact O-CA 3.39Å; V257-G316 VanDerWaalsContact CG2-O 3.25Å; V257-G316 WeakPolarHBondContact CG2-O 3.47Å; V257-G316 PolarHBondContact N-O 3.03Å; V257-G316 PolarHBondContact O-N 3.16Å; V257-G316 VanDerWaalsContact O-O 3.13Å; V257-V318 HydrophobicContact CG1-CG2 4.23Å; V257-V318 HydrophobicContact CG2-CG2 4.5Å; V257-M333 HydrophobicContact CG2-CE 3.79Å
258	L	98.4	Very high	95.6	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	122.5	173	179.1	67	0	0	0	108.3	A265 L266 L268 A315 Q355 L365	L258-A265 CarbonylContact O-C 3.57Å; L258-A265 WeakPolarHBondContact O-CA 3.01Å; L258-L266 PolarHBondContact N-O 3.33Å; L258-L266 PolarHBondContact O-N 2.97Å; L258-L268 HydrophobicContact CB-CD1 4.07Å; L258-L268 HydrophobicContact CB-CG 4.37Å; L258-L268 HydrophobicContact CD2-CD1 4.28Å; L258-A315 HydrophobicContact CD1-CB 4.41Å; L258-Q355 HydrophobicContact CD1-CB 3.93Å; L258-Q355 HydrophobicContact CD2-CB 3.72Å; L258-Q355 HydrophobicContact CD2-CG 3.79Å; L258-Q355 HydrophobicContact CG-CB 4.47Å; L258-L365 HydrophobicContact CD2-CD2 3.91Å; L258-L365 HydrophobicContact CG-CD1 4.43Å; L258-L365 HydrophobicContact CG-CD2 3.85Å; L258-L365 WeakPolarHBondContact O-CD1 3.16Å
259	A	98.2	Very high	96.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.2	-177.8	0	0	0	0	0	111.8	N264 A265 Y312 S313 S314 V359	A259-N264 CarbonylContact C-O 3.6Å; A259-N264 WeakPolarHBondContact CA-O 3.45Å; A259-N264 WeakPolarHBondContact CB-O 3.17Å; A259-A265 HydrophobicContact CB-CB 3.79Å; A259-Y312 HydrophobicContact CB-CD1 4.42Å; A259-Y312 WeakPolarHBondContact CB-O 3.47Å; A259-S313 CarbonylContact O-C 3.39Å; A259-S314 PolarHBondContact N-O 3.4Å; A259-S314 PolarHBondContact O-N 2.87Å; A259-V359 WeakPolarHBondContact O-CG1 3.37Å
260	D	97.3	Very high	97.3	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	11%	0.111	C	C	.	.			trans	-109.9	169.9	173.6	68.5	27.7	0	0	0	112.9	H262 G263 N264 V359 R364 L365	D260-H262 PolarHBondContact O-N 3.41Å; D260-H262 VanDerWaalsContact O-N 3.11Å; D260-H262 VanDerWaalsContact OD1-CA 3.26Å; D260-H262 WeakPolarHBondContact OD1-CA 3.27Å; D260-H262 VanDerWaalsContact OD1-CB 3.29Å; D260-H262 WeakPolarHBondContact OD1-CB 3.13Å; D260-H262 IonicContact OD1-CD2 3.97Å; D260-H262 PolarHBondContact OD1-N 2.84Å; D260-G263 PolarHBondContact O-N 3.45Å; D260-G263 PolarHBondContact OD1-N 3.36Å; D260-N264 PolarHBondContact N-O 2.93Å; D260-N264 WeakPolarHBondContact OD1-CB 2.98Å; D260-N264 PolarHBondContact OD1-N 2.87Å; D260-N264 PolarHBondContact OD1-ND2 3.17Å; D260-N264 WeakPolarHBondContact OD2-CB 3.44Å; D260-N264 PolarHBondContact OD2-ND2 3.11Å; D260-V359 HydrophobicContact CB-CG1 4.33Å; D260-V359 HydrophobicContact CB-CG2 4.01Å; D260-R364 VanDerWaalsContact OD2-CA 3.25Å; D260-R364 WeakPolarHBondContact OD2-CA 3.35Å; D260-L365 HydrophobicContact CB-CD2 4.18Å; D260-L365 HydrophobicContact CB-CG 3.92Å; D260-L365 PolarHBondContact OD2-N 2.93Å
261	K	95.4	Very high	97.6	Very high	100 Å²	100	20 Å²	20	44%	0.435	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	3.5	177.4	-64.6	-176.4	173.3	-179.6	0	113.8
262	H	96.3	Very high	97.7	Very high	83 Å²	83	19.1 Å²	19.1	38%	0.384	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	7.3	-178.3	-54.8	-97.3	0	0	0	112.3	D260 G362 R364	D260-H262 PolarHBondContact O-N 3.41Å; D260-H262 VanDerWaalsContact O-N 3.11Å; D260-H262 VanDerWaalsContact OD1-CA 3.26Å; D260-H262 WeakPolarHBondContact OD1-CA 3.27Å; D260-H262 VanDerWaalsContact OD1-CB 3.29Å; D260-H262 WeakPolarHBondContact OD1-CB 3.13Å; D260-H262 IonicContact OD1-CD2 3.97Å; D260-H262 PolarHBondContact OD1-N 2.84Å; H262-G362 PolarHBondContact NE2-O 3.48Å; H262-R364 HydrophobicContact CB-CG 4.02Å; H262-R364 WeakPolarHBondContact CD2-CG 3.27Å; H262-R364 VanDerWaalsContact CG-CG 3.49Å; H262-R364 PolarHBondContact ND1-NE 3.32Å
263	G	94.1	Very high	97.7	Very high	54 Å²	54	18.6 Å²	18.6	56%	0.557	10%	0.103	S	C	*	.	S	Bend	trans	85	6	178.9	0	0	0	0	0	114.2	D260	D260-G263 PolarHBondContact O-N 3.45Å; D260-G263 PolarHBondContact OD1-N 3.36Å
264	N	97.4	Very high	97.7	Very high	71 Å²	71	18.6 Å²	18.6	38%	0.38	10%	0.104	S	C	.	.			trans	-81.1	139.3	171	-52.4	-58.7	0	0	0	109.3	A259 D260 L365	A259-N264 CarbonylContact C-O 3.6Å; A259-N264 WeakPolarHBondContact CA-O 3.45Å; A259-N264 WeakPolarHBondContact CB-O 3.17Å; D260-N264 PolarHBondContact N-O 2.93Å; D260-N264 WeakPolarHBondContact OD1-CB 2.98Å; D260-N264 PolarHBondContact OD1-N 2.87Å; D260-N264 PolarHBondContact OD1-ND2 3.17Å; D260-N264 WeakPolarHBondContact OD2-CB 3.44Å; D260-N264 PolarHBondContact OD2-ND2 3.11Å; N264-L365 HydrophobicContact CB-CD1 4.25Å
265	A	97.9	Very high	97.6	Very high	12 Å²	12	18.7 Å²	18.7	10%	0.099	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	138.1	174.9	0	0	0	0	0	109.4	L258 A259 V304 K308	L258-A265 CarbonylContact O-C 3.57Å; L258-A265 WeakPolarHBondContact O-CA 3.01Å; A259-A265 HydrophobicContact CB-CB 3.79Å; A265-V304 HydrophobicContact CB-CG1 3.97Å; A265-V304 HydrophobicContact CB-CG2 4.47Å; A265-K308 HydrophobicContact CB-CG 4.17Å
266	L	97.9	Very high	97.4	Very high	13 Å²	13	19.8 Å²	19.8	7%	0.068	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.7	-178.5	-53.7	175.6	0	0	0	109.4	V257 L258 L268 V304 L365 H367 Q369 I372	V257-L266 WeakPolarHBondContact CA-O 3.39Å; L258-L266 PolarHBondContact N-O 3.33Å; L258-L266 PolarHBondContact O-N 2.97Å; L266-L268 HydrophobicContact CB-CD2 4.43Å; L266-V304 VanDerWaalsContact C-CG2 3.49Å; L266-L365 HydrophobicContact CD1-CB 4.46Å; L266-L365 HydrophobicContact CD1-CD1 3.83Å; L266-L365 HydrophobicContact CG-CD1 3.77Å; L266-H367 HydrophobicContact CD1-CB 4.13Å; L266-H367 WeakPolarHBondContact CD1-O 3.39Å; L266-Q369 HydrophobicContact CD2-CB 4.12Å; L266-I372 HydrophobicContact CD1-CD1 4.26Å
267	W	98.1	Very high	96.9	Very high	39 Å²	39	20.4 Å²	20.4	15%	0.148	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.3	162.3	70.1	95.1	0	0	0	110.2	I255 Q256 R297 E301 V304 Q369	I255-W267 HydrophobicContact CG2-CB 3.62Å; I255-W267 HydrophobicContact CG2-CG 4.49Å; Q256-W267 CarbonylContact O-C 3.56Å; Q256-W267 VanDerWaalsContact O-CA 3.27Å; Q256-W267 WeakPolarHBondContact O-CA 3.37Å; W267-R297 HydrophobicContact CZ2-CG 4.5Å; W267-E301 HydrophobicContact CH2-CG 3.7Å; W267-E301 HydrophobicContact CZ2-CG 4.45Å; W267-E301 HydrophobicContact CZ3-CG 3.94Å; W267-V304 HydrophobicContact CB-CG2 4.19Å; W267-V304 HydrophobicContact CE3-CB 4.33Å; W267-V304 HydrophobicContact CE3-CG2 3.69Å; W267-Q369 HydrophobicContact CD2-CG 4.19Å; W267-Q369 VanDerWaalsContact CD2-NE2 3.34Å; W267-Q369 VanDerWaalsContact CD2-OE1 3.28Å; W267-Q369 VanDerWaalsContact CE2-CD 3.41Å; W267-Q369 HydrophobicContact CE3-CG 3.93Å; W267-Q369 HydrophobicContact CH2-CG 3.32Å; W267-Q369 HydrophobicContact CZ2-CG 3.57Å; W267-Q369 VanDerWaalsContact CZ3-CD 3.44Å; W267-Q369 HydrophobicContact CZ3-CG 3.5Å; W267-Q369 VanDerWaalsContact CZ3-CG 3.5Å; W267-Q369 PolarHBondContact O-NE2 3.02Å
268	L	97.9	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	49.4	-178	-51.6	-176.5	0	0	0	110.6	Q256 L258 L266 T344 T348 L350 L352 I372	Q256-L268 HydrophobicContact CB-CB 3.97Å; Q256-L268 HydrophobicContact CG-CB 3.84Å; Q256-L268 HydrophobicContact CG-CD1 4Å; Q256-L268 HydrophobicContact CG-CG 4.2Å; Q256-L268 PolarHBondContact O-N 3.34Å; L258-L268 HydrophobicContact CB-CD1 4.07Å; L258-L268 HydrophobicContact CB-CG 4.37Å; L258-L268 HydrophobicContact CD2-CD1 4.28Å; L266-L268 HydrophobicContact CB-CD2 4.43Å; L268-T344 HydrophobicContact CB-CG2 3.78Å; L268-T344 VanDerWaalsContact O-CG2 3.27Å; L268-T344 WeakPolarHBondContact O-CG2 3.33Å; L268-T348 HydrophobicContact CB-CG2 4.33Å; L268-L350 HydrophobicContact CD1-CD1 4.19Å; L268-L350 HydrophobicContact CD2-CD1 3.88Å; L268-L352 HydrophobicContact CD1-CD2 3.25Å; L268-I372 HydrophobicContact CD2-CD1 3.59Å; L268-I372 HydrophobicContact CD2-CG1 3.93Å; L268-I372 HydrophobicContact CD2-CG2 3.99Å
269	N	97.4	Very high	95.3	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.048	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58	-172.1	-173.2	-48.8	-61.1	0	0	0	113.1	Q256 I347 P373 I374	Q256-N269 PolarHBondContact N-O 3.48Å; N269-I347 HydrophobicContact CB-CD1 4.3Å; N269-P373 PolarHBondContact ND2-O 2.79Å; N269-I374 HydrophobicContact CB-CG1 4.43Å; N269-I374 VanDerWaalsContact CG-CG1 3.48Å; N269-I374 WeakPolarHBondContact ND2-CG1 3.18Å; N269-I374 WeakPolarHBondContact OD1-CG1 3.25Å
270	E	98.4	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	161.9	-177.9	83.1	-74.1	-173.4	0	0	113.5	I253 E254 I255 P287 S288 L291 R296	I253-E270 HydrophobicContact CG2-CB 3.8Å; I253-E270 HydrophobicContact CG2-CG 3.8Å; E254-E270 CarbonylContact O-C 3.53Å; E254-E270 WeakPolarHBondContact O-CA 3.11Å; E254-E270 WeakPolarHBondContact O-CB 3.44Å; I255-E270 HydrophobicContact CD1-CB 3.54Å; E270-P287 VanDerWaalsContact OE1-CB 3.23Å; E270-P287 WeakPolarHBondContact OE1-CB 3.27Å; E270-S288 PolarHBondContact OE1-N 2.93Å; E270-L291 HydrophobicContact CB-CD1 4.39Å; E270-L291 HydrophobicContact CG-CD1 3.85Å; E270-R296 IonicContact OE1-CZ 3.72Å; E270-R296 IonicContact OE1-NE 2.85Å; E270-R296 PolarHBondContact OE1-NE 2.82Å; E270-R296 IonicContact OE1-NH2 2.72Å; E270-R296 PolarHBondContact OE1-NH2 3.47Å; E270-R296 WeakPolarHBondContact OE2-CD 3.35Å; E270-R296 WeakPolarHBondContact OE2-CG 3.47Å; E270-R296 IonicContact OE2-CZ 2.79Å; E270-R296 IonicContact OE2-NE 2.78Å; E270-R296 PolarHBondContact OE2-NE 3.12Å
271	R	98.8	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.8	163.3	-59.1	177.9	-69	-97.9	-0.4	109.1	I253 E254 E285 A286 T317 E340 I343 T344	I253-R271 CarbonylContact C-O 3.58Å; I253-R271 WeakPolarHBondContact CA-O 3.43Å; E254-R271 HydrophobicContact CG-CB 3.91Å; E254-R271 PolarHBondContact N-O 3.21Å; E254-R271 PolarHBondContact O-N 3.05Å; E254-R271 IonicContact OE1-CZ 3.6Å; E254-R271 IonicContact OE1-NE 3.83Å; E254-R271 PolarHBondContact OE1-NE 2.98Å; E254-R271 IonicContact OE1-NH2 3.66Å; E254-R271 PolarHBondContact OE1-NH2 3.21Å; R271-E285 CarbonylContact C-O 3.55Å; R271-E285 VanDerWaalsContact CA-O 3.28Å; R271-E285 WeakPolarHBondContact CA-O 3.45Å; R271-A286 HydrophobicContact CG-CB 4.13Å; R271-T317 VanDerWaalsContact NH2-CG2 3.33Å; R271-T317 PolarHBondContact NH2-OG1 3.38Å; R271-E340 WeakPolarHBondContact CD-O 3.48Å; R271-I343 HydrophobicContact CB-CD1 4.02Å; R271-I343 HydrophobicContact CG-CD1 3.74Å; R271-I343 HydrophobicContact CG-CG1 4.09Å; R271-T344 WeakPolarHBondContact CD-OG1 3.47Å; R271-T344 WeakPolarHBondContact CG-OG1 3.34Å; R271-T344 PolarHBondContact NH1-OG1 2.88Å
272	E	98.4	Very high	94.8	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.7	170.1	-175.1	163.4	-176.9	0	0	109.4	R251 I253 S274 E284 E285 S288 I482	R251-E272 WeakPolarHBondContact CD-OE1 3.3Å; R251-E272 IonicContact CZ-OE1 3.98Å; R251-E272 IonicContact NE-OE1 3.61Å; R251-E272 IonicContact NH1-OE1 2.82Å; R251-E272 PolarHBondContact NH1-OE1 2.98Å; R251-E272 IonicContact NH1-OE2 3.1Å; I253-E272 HydrophobicContact CG1-CB 4.19Å; I253-E272 HydrophobicContact CG1-CG 3.97Å; E272-S274 WeakPolarHBondContact CG-OG 3.41Å; E272-S274 PolarHBondContact OE1-OG 3.46Å; E272-S274 VanDerWaalsContact OE1-OG 3.12Å; E272-E284 WeakPolarHBondContact O-CA 3.46Å; E272-E285 HydrophobicContact CB-CG 4.09Å; E272-E285 PolarHBondContact N-O 3.04Å; E272-E285 PolarHBondContact O-N 3.25Å; E272-S288 WeakPolarHBondContact OE2-CB 3.38Å; E272-S288 PolarHBondContact OE2-OG 3.34Å; E272-I482 HydrophobicContact CG-CD1 4.38Å
273	C	97.6	Very high	94.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	30.4	-177	-50.8	0	0	0	0	110.7	H252 I275 K281 E284	H252-C273 PolarHBondContact O-N 2.65Å; C273-I275 VanDerWaalsContact C-N 3.26Å; C273-I275 PolarHBondContact O-N 3.35Å; C273-K281 HydrophobicContact CB-CD 3.67Å; C273-K281 HydrophobicContact CB-CG 3.98Å; C273-E284 HydrophobicContact CB-CG 4.03Å; C273-E284 VanDerWaalsContact SG-CG 3.59Å
274	S	97.5	Very high	95.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-29.3	-176.2	-62.5	0	0	0	0	112.6	R251 H252 E272 Q276 T484	R251-S274 WeakPolarHBondContact CA-OG 3.31Å; R251-S274 WeakPolarHBondContact CB-OG 3.15Å; H252-S274 PolarHBondContact N-OG 3.48Å; H252-S274 VanDerWaalsContact N-OG 3.11Å; E272-S274 WeakPolarHBondContact CG-OG 3.41Å; E272-S274 PolarHBondContact OE1-OG 3.46Å; E272-S274 VanDerWaalsContact OE1-OG 3.12Å; S274-Q276 PolarHBondContact O-N 3.17Å; S274-T484 WeakPolarHBondContact O-CA 3.2Å
275	I	97.4	Very high	95.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	97.2	178.2	-53.4	-54.7	0	0	0	109.4	C273 V282 V283 I471 F477 I482 F486 L487	C273-I275 VanDerWaalsContact C-N 3.26Å; C273-I275 PolarHBondContact O-N 3.35Å; I275-V282 HydrophobicContact CG2-CB 4.4Å; I275-V282 PolarHBondContact O-N 2.66Å; I275-V283 HydrophobicContact CB-CB 4.01Å; I275-V283 HydrophobicContact CG1-CB 4.46Å; I275-V283 HydrophobicContact CG2-CB 4.12Å; I275-V283 HydrophobicContact CG2-CG2 4.3Å; I275-V283 PolarHBondContact O-N 3.37Å; I275-I471 HydrophobicContact CG2-CD1 4.11Å; I275-I471 HydrophobicContact CG2-CG2 4.13Å; I275-F477 HydrophobicContact CD1-CD2 4.06Å; I275-F477 HydrophobicContact CD1-CE2 4.36Å; I275-F477 HydrophobicContact CG1-CD2 3.85Å; I275-F477 HydrophobicContact CG1-CE2 3.67Å; I275-I482 HydrophobicContact CD1-CB 3.96Å; I275-I482 HydrophobicContact CD1-CD1 4.17Å; I275-I482 HydrophobicContact CD1-CG2 4Å; I275-I482 HydrophobicContact CG1-CD1 4.3Å; I275-F486 HydrophobicContact CD1-CB 3.65Å; I275-F486 HydrophobicContact CD1-CD1 3.66Å; I275-F486 HydrophobicContact CD1-CD2 3.96Å; I275-F486 HydrophobicContact CD1-CE1 4.28Å; I275-F486 HydrophobicContact CD1-CE2 4.5Å; I275-F486 HydrophobicContact CD1-CG 3.48Å; I275-F486 VanDerWaalsContact CD1-CG 3.48Å; I275-L487 HydrophobicContact CG2-CG 4.48Å
276	Q	93.8	Very high	95.2	Very high	23 Å²	23	20.4 Å²	20.4	11%	0.107	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.8	-177	62.4	177.4	26	0	0	111.8	S274 Q280	S274-Q276 PolarHBondContact O-N 3.17Å; Q276-Q280 CarbonylContact C-O 3.51Å; Q276-Q280 WeakPolarHBondContact CA-O 3.45Å; Q276-Q280 VanDerWaalsContact CB-O 3.31Å; Q276-Q280 WeakPolarHBondContact CB-O 3.11Å
277	R	87.9	Confident	95.2	Very high	14 Å²	14	20 Å²	20	5%	0.053	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.7	174.1	178.2	-166.3	66.9	133.7	-3.9	109.3	N279 Q280 V282 E386 F392 G393 L487	R277-N279 PolarHBondContact O-N 3.44Å; R277-N279 VanDerWaalsContact O-N 3.16Å; R277-Q280 PolarHBondContact N-O 3.27Å; R277-Q280 WeakPolarHBondContact O-CA 3.36Å; R277-Q280 WeakPolarHBondContact O-CB 3.31Å; R277-Q280 PolarHBondContact O-N 3.14Å; R277-V282 HydrophobicContact CB-CG2 3.95Å; R277-E386 IonicContact CZ-OE1 3.19Å; R277-E386 IonicContact CZ-OE2 2.8Å; R277-E386 IonicContact NE-OE2 2.75Å; R277-E386 IonicContact NH2-OE1 2.68Å; R277-E386 PolarHBondContact NH2-OE1 2.94Å; R277-E386 IonicContact NH2-OE2 3.25Å; R277-E386 PolarHBondContact NH2-OE2 2.8Å; R277-F392 WeakPolarHBondContact CD-O 3.24Å; R277-F392 HydrophobicContact CG-CB 4.32Å; R277-F392 PolarHBondContact NE-O 2.95Å; R277-F392 PolarHBondContact NH1-O 3.29Å; R277-G393 VanDerWaalsContact NH1-C 3.34Å; R277-G393 PolarHBondContact NH1-O 3.22Å; R277-L487 HydrophobicContact CB-CD1 3.95Å
278	R	81.6	Confident	95.2	Very high	147 Å²	147	18.1 Å²	18.1	56%	0.555	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	42.1	179.4	-59.8	178.8	-179.3	178	1.2	112.1	Q280	R278-Q280 PolarHBondContact O-N 2.88Å
279	N	82.8	Confident	95.1	Very high	82 Å²	82	20.4 Å²	20.4	44%	0.439	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	5.6	-175	-43.6	-57.5	0	0	0	115.9	R277	R277-N279 PolarHBondContact O-N 3.44Å; R277-N279 VanDerWaalsContact O-N 3.16Å
280	Q	87.2	Confident	95	Very high	67 Å²	67	22 Å²	22	31%	0.313	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.6	168	-169.6	68.5	25.7	0	0	109.4	Q276 R277 R278 Y384	Q276-Q280 CarbonylContact C-O 3.51Å; Q276-Q280 WeakPolarHBondContact CA-O 3.45Å; Q276-Q280 VanDerWaalsContact CB-O 3.31Å; Q276-Q280 WeakPolarHBondContact CB-O 3.11Å; R277-Q280 PolarHBondContact N-O 3.27Å; R277-Q280 WeakPolarHBondContact O-CA 3.36Å; R277-Q280 WeakPolarHBondContact O-CB 3.31Å; R277-Q280 PolarHBondContact O-N 3.14Å; R278-Q280 PolarHBondContact O-N 2.88Å; Q280-Y384 HydrophobicContact CG-CE2 4.48Å; Q280-Y384 PolarHBondContact NE2-OH 3.07Å
281	K	95	Very high	94.9	Very high	18 Å²	18	22.4 Å²	22.4	8%	0.078	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.3	176	-63.3	173.6	177.3	173.4	0	110.2	E254 C273 E284 E319 E340 R382	E254-K281 IonicContact OE1-NZ 3.68Å; E254-K281 IonicContact OE2-NZ 3.96Å; E254-K281 PolarHBondContact OE2-NZ 2.94Å; C273-K281 HydrophobicContact CB-CD 3.67Å; C273-K281 HydrophobicContact CB-CG 3.98Å; K281-E284 WeakPolarHBondContact CB-OE1 3.21Å; K281-E319 IonicContact NZ-OE1 2.92Å; K281-E319 PolarHBondContact NZ-OE1 3.3Å; K281-E340 WeakPolarHBondContact CD-OE1 3.29Å; K281-E340 WeakPolarHBondContact CE-OE1 3.25Å; K281-E340 IonicContact NZ-OE1 2.67Å; K281-E340 PolarHBondContact NZ-OE1 3.29Å; K281-R382 WeakPolarHBondContact O-CD 3.18Å
282	V	96.3	Very high	94.8	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.042	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-48.2	-174.6	-178.4	0	0	0	0	111.7	I275 R277 R382 L468 I471 L487	I275-V282 HydrophobicContact CG2-CB 4.4Å; I275-V282 PolarHBondContact O-N 2.66Å; R277-V282 HydrophobicContact CB-CG2 3.95Å; V282-R382 PolarHBondContact O-N 2.86Å; V282-L468 HydrophobicContact CG1-CD2 3.58Å; V282-I471 HydrophobicContact CG1-CD1 4.39Å; V282-L487 HydrophobicContact CG2-CD1 4.48Å
283	V	98.5	Very high	94.7	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.4	175.8	179.8	0	0	0	0	108.8	I275 I379 E380 L468 I471 I472 F477	I275-V283 HydrophobicContact CB-CB 4.01Å; I275-V283 HydrophobicContact CG1-CB 4.46Å; I275-V283 HydrophobicContact CG2-CB 4.12Å; I275-V283 HydrophobicContact CG2-CG2 4.3Å; I275-V283 PolarHBondContact O-N 3.37Å; V283-I379 HydrophobicContact CG1-CG2 4Å; V283-E380 WeakPolarHBondContact CA-O 3.31Å; V283-L468 HydrophobicContact CG2-CD2 3.85Å; V283-I471 HydrophobicContact CG2-CD1 4.46Å; V283-I471 HydrophobicContact CG2-CG2 4.12Å; V283-I472 HydrophobicContact CG1-CD1 4.02Å; V283-F477 HydrophobicContact CG1-CE2 4.1Å; V283-F477 HydrophobicContact CG1-CZ 3.65Å
284	E	98.7	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.4	-179.8	-56.3	93.5	154.8	0	0	110.4	E272 C273 K281 E340 I343 I379 E380 R382	E272-E284 WeakPolarHBondContact O-CA 3.46Å; C273-E284 HydrophobicContact CB-CG 4.03Å; C273-E284 VanDerWaalsContact SG-CG 3.59Å; K281-E284 WeakPolarHBondContact CB-OE1 3.21Å; E284-E340 HydrophobicContact CB-CB 4.05Å; E284-E340 HydrophobicContact CG-CB 3.78Å; E284-E340 HydrophobicContact CG-CG 4.19Å; E284-I343 HydrophobicContact CB-CD1 3.6Å; E284-I379 CarbonylContact O-C 3.47Å; E284-I379 WeakPolarHBondContact O-CA 3.43Å; E284-E380 HydrophobicContact CB-CB 4.46Å; E284-E380 PolarHBondContact N-O 3.25Å; E284-E380 PolarHBondContact O-N 2.81Å; E284-R382 IonicContact OE1-CZ 3.94Å; E284-R382 IonicContact OE1-NE 3.73Å; E284-R382 PolarHBondContact OE1-NE 2.81Å; E284-R382 IonicContact OE1-NH2 3.83Å; E284-R382 PolarHBondContact OE1-NH2 3.48Å
285	E	98.8	Very high	94.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.7	175.5	64.7	175.5	118.3	0	0	113.2	R271 E272 W377 A378 I379 R442	R271-E285 CarbonylContact C-O 3.55Å; R271-E285 VanDerWaalsContact CA-O 3.28Å; R271-E285 WeakPolarHBondContact CA-O 3.45Å; E272-E285 HydrophobicContact CB-CG 4.09Å; E272-E285 PolarHBondContact N-O 3.04Å; E272-E285 PolarHBondContact O-N 3.25Å; E285-W377 PolarHBondContact OE2-NE1 3.18Å; E285-A378 WeakPolarHBondContact CA-O 3.48Å; E285-I379 HydrophobicContact CB-CG1 4.15Å; E285-R442 IonicContact OE1-CZ 2.89Å; E285-R442 IonicContact OE1-NE 3.96Å; E285-R442 IonicContact OE1-NH2 3.76Å; E285-R442 PolarHBondContact OE1-NH2 2.82Å; E285-R442 IonicContact OE2-CZ 2.76Å; E285-R442 IonicContact OE2-NE 3.41Å; E285-R442 PolarHBondContact OE2-NE 2.79Å; E285-R442 IonicContact OE2-NH2 2.7Å
286	A	98.6	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.8	174.4	0	0	0	0	0	110.4	R271 I343 I347 W377 A378	R271-A286 HydrophobicContact CG-CB 4.13Å; A286-I343 HydrophobicContact CB-CB 4Å; A286-I343 HydrophobicContact CB-CD1 4.06Å; A286-I343 HydrophobicContact CB-CG1 4.19Å; A286-I347 HydrophobicContact CB-CD1 3.74Å; A286-I347 HydrophobicContact CB-CG1 4.35Å; A286-I347 WeakPolarHBondContact O-CG2 3.44Å; A286-W377 WeakPolarHBondContact O-CA 3.38Å; A286-A378 PolarHBondContact N-O 3.44Å; A286-A378 PolarHBondContact O-N 3.41Å
287	P	98.3	Very high	94.9	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.026	21%	0.208	C	C	.	.	S	Bend	cis	-70.3	-178.4	-10.4	31.7	-36.9	0	0	0	113	E270 I374 W377	E270-P287 VanDerWaalsContact OE1-CB 3.23Å; E270-P287 WeakPolarHBondContact OE1-CB 3.27Å; P287-I374 HydrophobicContact CG-CG2 3.96Å; P287-W377 HydrophobicContact CG-CD2 4.05Å; P287-W377 HydrophobicContact CG-CE3 3.88Å; P287-W377 HydrophobicContact CG-CH2 3.75Å; P287-W377 HydrophobicContact CG-CZ2 3.9Å; P287-W377 HydrophobicContact CG-CZ3 3.74Å; P287-W377 VanDerWaalsContact O-CE2 3.24Å; P287-W377 WeakPolarHBondContact O-CZ2 3.41Å; P287-W377 PolarHBondContact O-NE1 3.2Å
288	S	97.9	Very high	95.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.218	C	C	.	.			trans	-75.1	140.5	171.4	170.6	0	0	0	0	111.1	I253 E270 E272 F290 R296	I253-S288 WeakPolarHBondContact CD1-OG 3.49Å; E270-S288 PolarHBondContact OE1-N 2.93Å; E272-S288 WeakPolarHBondContact OE2-CB 3.38Å; E272-S288 PolarHBondContact OE2-OG 3.34Å; S288-F290 PolarHBondContact O-N 2.85Å; S288-F290 PolarHBondContact OG-N 3.42Å; S288-F290 VanDerWaalsContact OG-N 3.08Å; S288-R296 PolarHBondContact O-NH2 2.87Å
289	T	95.9	Very high	96.2	Very high	48 Å²	48	36.8 Å²	36.8	29%	0.294	19%	0.192	S	C	.	.	S	Bend	trans	-71.4	-21.7	172.5	54.1	0	0	0	0	113.1	W377	T289-W377 HydrophobicContact CG2-CH2 4.25Å; T289-W377 HydrophobicContact CG2-CZ2 3.61Å
290	F	96.7	Very high	96.9	Very high	41 Å²	41	32.9 Å²	32.9	18%	0.18	17%	0.171	C	C	.	.	S	Bend	trans	-88	-32.6	-171.8	-169	-116.5	0	0	0	113.2	R251 I253 S288 V322 D323 K326	R251-F290 VanDerWaalsContact CD-CG 3.44Å; I253-F290 HydrophobicContact CD1-CD1 4.49Å; S288-F290 PolarHBondContact O-N 2.85Å; S288-F290 PolarHBondContact OG-N 3.42Å; S288-F290 VanDerWaalsContact OG-N 3.08Å; F290-V322 HydrophobicContact CD1-CG1 4.11Å; F290-V322 HydrophobicContact CE1-CG1 3.88Å; F290-D323 VanDerWaalsContact CE1-O 3.31Å; F290-D323 WeakPolarHBondContact CE1-O 3.41Å; F290-K326 HydrophobicContact CD1-CG 4.21Å; F290-K326 HydrophobicContact CE1-CB 4.38Å; F290-K326 HydrophobicContact CE1-CG 3.54Å; F290-K326 HydrophobicContact CZ-CG 3.79Å; F290-K326 WeakPolarHBondContact O-CE 3.08Å
291	L	96	Very high	97.4	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.052	17%	0.174	C	C	.	.			trans	-81.3	126.8	-174.5	-58.4	-165.7	0	0	0	112.9	I253 E270 T295 R296 M299 V322	I253-L291 HydrophobicContact CD1-CD1 4.48Å; I253-L291 HydrophobicContact CD1-CD2 3.76Å; I253-L291 HydrophobicContact CD1-CG 3.95Å; I253-L291 HydrophobicContact CG2-CD1 3.93Å; I253-L291 HydrophobicContact CG2-CG 4.5Å; E270-L291 HydrophobicContact CB-CD1 4.39Å; E270-L291 HydrophobicContact CG-CD1 3.85Å; L291-T295 HydrophobicContact CD2-CG2 3.97Å; L291-R296 HydrophobicContact CB-CB 4.38Å; L291-R296 HydrophobicContact CD1-CB 4.36Å; L291-R296 PolarHBondContact O-NH1 2.85Å; L291-R296 PolarHBondContact O-NH2 2.75Å; L291-M299 HydrophobicContact CD1-CE 4.33Å; L291-M299 HydrophobicContact CD1-SD 3.51Å; L291-M299 VanDerWaalsContact CD1-SD 3.51Å; L291-M299 HydrophobicContact CD2-SD 4.01Å; L291-M299 HydrophobicContact CG-SD 4.44Å; L291-V322 HydrophobicContact CD2-CG1 4.35Å
292	D	95.9	Very high	97.6	Very high	47 Å²	47	34 Å²	34	25%	0.251	18%	0.176	S	C	.	.			trans	-78.1	166.2	163.3	62.4	71.4	0	0	0	111.6	D294 T295 R296 K326	D292-D294 PolarHBondContact O-N 2.88Å; D292-D294 PolarHBondContact OD1-N 2.85Å; D292-T295 PolarHBondContact O-N 2.87Å; D292-T295 PolarHBondContact OD1-N 3.18Å; D292-R296 VanDerWaalsContact O-CB 3.28Å; D292-R296 WeakPolarHBondContact O-CB 3.31Å; D292-R296 PolarHBondContact O-N 3Å; D292-K326 WeakPolarHBondContact OD2-CD 3.33Å; D292-K326 IonicContact OD2-NZ 3.72Å; D292-K326 PolarHBondContact OD2-NZ 2.67Å
293	P	96.1	Very high	97.7	Very high	91 Å²	91	33.7 Å²	33.7	59%	0.591	17%	0.174	S	C	*	.	H	α-helix	trans	-58.7	-30.2	-177.4	-27.1	36.8	0	0	0	115.2	R297	P293-R297 WeakPolarHBondContact O-CB 3.28Å; P293-R297 PolarHBondContact O-N 3.03Å; P293-R297 VanDerWaalsContact O-N 3.08Å
294	D	97.6	Very high	97.7	Very high	121 Å²	121	34 Å²	34	65%	0.647	18%	0.176	S	C	*	.	H	α-helix	trans	-77.7	-48.2	-176.5	-68.2	-28.6	0	0	0	110.3	D292 R296 R297 A298	D292-D294 PolarHBondContact O-N 2.88Å; D292-D294 PolarHBondContact OD1-N 2.85Å; D294-R296 VanDerWaalsContact C-N 3.34Å; D294-R296 PolarHBondContact O-N 3.11Å; D294-R297 PolarHBondContact O-N 2.92Å; D294-A298 PolarHBondContact O-N 3.04Å
295	T	97.1	Very high	97.6	Very high	23 Å²	23	38 Å²	38	14%	0.141	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-42.3	174	-58.7	0	0	0	0	111.3	L291 D292 R297 A298 M299 K326 F328	L291-T295 HydrophobicContact CD2-CG2 3.97Å; D292-T295 PolarHBondContact O-N 2.87Å; D292-T295 PolarHBondContact OD1-N 3.18Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.13Å; T295-A298 PolarHBondContact O-N 2.85Å; T295-M299 HydrophobicContact CG2-CG 4.39Å; T295-M299 HydrophobicContact CG2-SD 4.08Å; T295-M299 WeakPolarHBondContact O-CG 3.47Å; T295-M299 PolarHBondContact O-N 3.36Å; T295-K326 HydrophobicContact CG2-CB 4.41Å; T295-F328 HydrophobicContact CG2-CD1 4.06Å; T295-F328 HydrophobicContact CG2-CE1 4.41Å
296	R	97.8	Very high	97.6	Very high	32 Å²	32	38 Å²	38	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-46.3	175.6	179	-179.6	-68.5	102.6	7	111.8	E270 S288 L291 D292 D294 G300	E270-R296 IonicContact OE1-CZ 3.72Å; E270-R296 IonicContact OE1-NE 2.85Å; E270-R296 PolarHBondContact OE1-NE 2.82Å; E270-R296 IonicContact OE1-NH2 2.72Å; E270-R296 PolarHBondContact OE1-NH2 3.47Å; E270-R296 WeakPolarHBondContact OE2-CD 3.35Å; E270-R296 WeakPolarHBondContact OE2-CG 3.47Å; E270-R296 IonicContact OE2-CZ 2.79Å; E270-R296 IonicContact OE2-NE 2.78Å; E270-R296 PolarHBondContact OE2-NE 3.12Å; S288-R296 PolarHBondContact O-NH2 2.87Å; L291-R296 HydrophobicContact CB-CB 4.38Å; L291-R296 HydrophobicContact CD1-CB 4.36Å; L291-R296 PolarHBondContact O-NH1 2.85Å; L291-R296 PolarHBondContact O-NH2 2.75Å; D292-R296 VanDerWaalsContact O-CB 3.28Å; D292-R296 WeakPolarHBondContact O-CB 3.31Å; D292-R296 PolarHBondContact O-N 3Å; D294-R296 VanDerWaalsContact C-N 3.34Å; D294-R296 PolarHBondContact O-N 3.11Å; R296-G300 PolarHBondContact O-N 3.18Å
297	R	97.8	Very high	97.5	Very high	143 Å²	143	38 Å²	38	54%	0.54	20%	0.195	S	C	.	.	H	α-helix	trans	-63	-46.5	176.6	-176.4	-172.9	-56.5	-140.6	0.6	111.2	W267 P293 D294 T295 M299 G300 E301	W267-R297 HydrophobicContact CZ2-CG 4.5Å; P293-R297 WeakPolarHBondContact O-CB 3.28Å; P293-R297 PolarHBondContact O-N 3.03Å; P293-R297 VanDerWaalsContact O-N 3.08Å; D294-R297 PolarHBondContact O-N 2.92Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.13Å; R297-M299 VanDerWaalsContact C-N 3.33Å; R297-M299 PolarHBondContact O-N 2.9Å; R297-G300 PolarHBondContact O-N 2.77Å; R297-E301 WeakPolarHBondContact CD-OE1 3.5Å; R297-E301 HydrophobicContact CG-CG 4.18Å; R297-E301 WeakPolarHBondContact CG-OE1 3.37Å; R297-E301 WeakPolarHBondContact O-CB 3.49Å; R297-E301 WeakPolarHBondContact O-CG 3.45Å; R297-E301 PolarHBondContact O-N 3.11Å
298	A	98.3	Very high	97.4	Very high	33 Å²	33	43.3 Å²	43.3	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-58.8	-44.8	179.9	0	0	0	0	0	111.9	D294 T295 Q302 F328	D294-A298 PolarHBondContact O-N 3.04Å; T295-A298 PolarHBondContact O-N 2.85Å; A298-Q302 WeakPolarHBondContact O-CB 3.37Å; A298-Q302 WeakPolarHBondContact O-CG 3.36Å; A298-Q302 PolarHBondContact O-N 3Å; A298-F328 HydrophobicContact CB-CE1 4.01Å; A298-F328 HydrophobicContact CB-CZ 3.99Å
299	M	98.4	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-46.3	174.8	-69.4	177.6	68.6	0	0	111.7	I253 I255 L291 T295 R297 Q302 A303 F320 V322 F328	I253-M299 HydrophobicContact CB-CE 4.18Å; I253-M299 HydrophobicContact CG2-CE 3.86Å; I255-M299 HydrophobicContact CD1-CB 3.95Å; I255-M299 HydrophobicContact CG1-CB 4.1Å; L291-M299 HydrophobicContact CD1-CE 4.33Å; L291-M299 HydrophobicContact CD1-SD 3.51Å; L291-M299 VanDerWaalsContact CD1-SD 3.51Å; L291-M299 HydrophobicContact CD2-SD 4.01Å; L291-M299 HydrophobicContact CG-SD 4.44Å; T295-M299 HydrophobicContact CG2-CG 4.39Å; T295-M299 HydrophobicContact CG2-SD 4.08Å; T295-M299 WeakPolarHBondContact O-CG 3.47Å; T295-M299 PolarHBondContact O-N 3.36Å; R297-M299 VanDerWaalsContact C-N 3.33Å; R297-M299 PolarHBondContact O-N 2.9Å; M299-Q302 PolarHBondContact O-N 2.81Å; M299-A303 WeakPolarHBondContact O-CB 3.37Å; M299-A303 PolarHBondContact O-N 2.68Å; M299-F320 HydrophobicContact CE-CB 3.73Å; M299-F320 HydrophobicContact CE-CD2 3.68Å; M299-F320 HydrophobicContact CE-CE2 4.47Å; M299-F320 HydrophobicContact CE-CG 3.81Å; M299-V322 HydrophobicContact CE-CG2 3.93Å; M299-V322 HydrophobicContact SD-CG2 4.23Å; M299-F328 HydrophobicContact CB-CE2 4.48Å; M299-F328 HydrophobicContact CE-CB 4.27Å; M299-F328 HydrophobicContact CG-CB 4.12Å; M299-F328 HydrophobicContact CG-CD1 3.6Å; M299-F328 HydrophobicContact CG-CD2 3.61Å; M299-F328 HydrophobicContact CG-CE1 3.8Å; M299-F328 HydrophobicContact CG-CE2 3.79Å; M299-F328 HydrophobicContact CG-CG 3.49Å; M299-F328 VanDerWaalsContact CG-CG 3.49Å; M299-F328 HydrophobicContact CG-CZ 3.88Å; M299-F328 HydrophobicContact SD-CB 4.03Å; M299-F328 HydrophobicContact SD-CD1 4.24Å; M299-F328 HydrophobicContact SD-CG 4.05Å
300	G	98.3	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-45.1	178	0	0	0	0	0	113.5	R296 R297 A303 V304	R296-G300 PolarHBondContact O-N 3.18Å; R297-G300 PolarHBondContact O-N 2.77Å; G300-A303 PolarHBondContact O-N 3.06Å; G300-V304 PolarHBondContact O-N 3.06Å
301	E	98.3	Very high	97.3	Very high	82 Å²	82	49.4 Å²	49.4	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-65	-43.6	177.7	-73.5	176.9	-179.9	0	0	111.7	W267 R297 V304 Q305	W267-E301 HydrophobicContact CH2-CG 3.7Å; W267-E301 HydrophobicContact CZ2-CG 4.45Å; W267-E301 HydrophobicContact CZ3-CG 3.94Å; R297-E301 WeakPolarHBondContact CD-OE1 3.5Å; R297-E301 HydrophobicContact CG-CG 4.18Å; R297-E301 WeakPolarHBondContact CG-OE1 3.37Å; R297-E301 WeakPolarHBondContact O-CB 3.49Å; R297-E301 WeakPolarHBondContact O-CG 3.45Å; R297-E301 PolarHBondContact O-N 3.11Å; E301-V304 PolarHBondContact O-N 2.96Å; E301-Q305 VanDerWaalsContact O-CG 3.25Å; E301-Q305 WeakPolarHBondContact O-CG 3.4Å; E301-Q305 PolarHBondContact O-N 2.88Å
302	Q	98.4	Very high	97.4	Very high	27 Å²	27	49.3 Å²	49.3	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-38.1	176.4	-72.7	-167.9	21.8	0	0	112.2	V172 N173 A298 M299 V304 Q305 L306 F328	V172-Q302 VanDerWaalsContact CA-OE1 3.31Å; V172-Q302 HydrophobicContact CG1-CB 4.39Å; V172-Q302 HydrophobicContact CG2-CB 4.45Å; N173-Q302 PolarHBondContact OD1-NE2 2.98Å; A298-Q302 WeakPolarHBondContact O-CB 3.37Å; A298-Q302 WeakPolarHBondContact O-CG 3.36Å; A298-Q302 PolarHBondContact O-N 3Å; M299-Q302 PolarHBondContact O-N 2.81Å; Q302-V304 VanDerWaalsContact C-N 3.34Å; Q302-V304 PolarHBondContact O-N 3.19Å; Q302-Q305 WeakPolarHBondContact O-CB 3.49Å; Q302-Q305 PolarHBondContact O-N 3.03Å; Q302-L306 PolarHBondContact O-N 2.98Å; Q302-F328 HydrophobicContact CG-CE2 4.47Å
303	A	98.4	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-41.9	174.3	0	0	0	0	0	111.9	I255 V257 M299 G300 L306 A307 V318 F320	I255-A303 HydrophobicContact CB-CB 3.82Å; I255-A303 HydrophobicContact CG1-CB 4.25Å; I255-A303 HydrophobicContact CG2-CB 3.64Å; V257-A303 HydrophobicContact CG1-CB 3.83Å; M299-A303 WeakPolarHBondContact O-CB 3.37Å; M299-A303 PolarHBondContact O-N 2.68Å; G300-A303 PolarHBondContact O-N 3.06Å; A303-L306 PolarHBondContact O-N 3.35Å; A303-A307 WeakPolarHBondContact O-CB 3.3Å; A303-A307 PolarHBondContact O-N 2.82Å; A303-V318 HydrophobicContact CB-CB 3.94Å; A303-V318 HydrophobicContact CB-CG1 4.39Å; A303-V318 HydrophobicContact CB-CG2 3.84Å; A303-F320 HydrophobicContact CB-CE2 4.35Å
304	V	98.1	Very high	97.5	Very high	10 Å²	10	42.8 Å²	42.8	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-68.7	-35.8	174.3	163.9	0	0	0	0	112.4	A265 L266 W267 G300 E301 Q302 L306 A307 K308	A265-V304 HydrophobicContact CB-CG1 3.97Å; A265-V304 HydrophobicContact CB-CG2 4.47Å; L266-V304 VanDerWaalsContact C-CG2 3.49Å; W267-V304 HydrophobicContact CB-CG2 4.19Å; W267-V304 HydrophobicContact CE3-CB 4.33Å; W267-V304 HydrophobicContact CE3-CG2 3.69Å; G300-V304 PolarHBondContact O-N 3.06Å; E301-V304 PolarHBondContact O-N 2.96Å; Q302-V304 VanDerWaalsContact C-N 3.34Å; Q302-V304 PolarHBondContact O-N 3.19Å; V304-L306 VanDerWaalsContact C-N 3.35Å; V304-A307 PolarHBondContact O-N 3.31Å; V304-K308 HydrophobicContact CG1-CD 4.07Å; V304-K308 HydrophobicContact CG1-CG 4.44Å; V304-K308 WeakPolarHBondContact O-CB 3.41Å; V304-K308 WeakPolarHBondContact O-CG 3.49Å; V304-K308 PolarHBondContact O-N 3.29Å
305	Q	97.6	Very high	97.5	Very high	84 Å²	84	37 Å²	37	39%	0.393	18%	0.179	S	C	.	.	H	α-helix	trans	-60.5	-45.5	173.2	-73.6	167.5	18.8	0	0	111.1	A170 E301 Q302 K308 A309	A170-Q305 PolarHBondContact O-OE1 3.2Å; E301-Q305 VanDerWaalsContact O-CG 3.25Å; E301-Q305 WeakPolarHBondContact O-CG 3.4Å; E301-Q305 PolarHBondContact O-N 2.88Å; Q302-Q305 WeakPolarHBondContact O-CB 3.49Å; Q302-Q305 PolarHBondContact O-N 3.03Å; Q305-K308 PolarHBondContact O-N 3.18Å; Q305-A309 WeakPolarHBondContact O-CB 3.36Å; Q305-A309 PolarHBondContact O-N 2.86Å
306	L	97.7	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-50	174.9	-174.6	57.9	0	0	0	111.7	M157 I166 A167 V172 Q302 A303 V304 K308 A309 V310 V318 F330 M333	M157-L306 HydrophobicContact SD-CD1 4.42Å; I166-L306 HydrophobicContact CG2-CD1 4.09Å; A167-L306 HydrophobicContact CB-CD1 4.18Å; V172-L306 HydrophobicContact CG2-CB 3.97Å; V172-L306 HydrophobicContact CG2-CD1 4.49Å; Q302-L306 PolarHBondContact O-N 2.98Å; A303-L306 PolarHBondContact O-N 3.35Å; V304-L306 VanDerWaalsContact C-N 3.35Å; L306-K308 VanDerWaalsContact C-N 3.27Å; L306-K308 PolarHBondContact O-N 3.38Å; L306-A309 WeakPolarHBondContact O-CB 3.36Å; L306-A309 PolarHBondContact O-N 3.46Å; L306-V310 PolarHBondContact O-N 3.15Å; L306-V318 HydrophobicContact CD2-CG1 3.93Å; L306-V318 HydrophobicContact CD2-CG2 4.21Å; L306-F330 HydrophobicContact CD2-CD2 3.86Å; L306-F330 HydrophobicContact CD2-CE2 3.34Å; L306-F330 HydrophobicContact CD2-CZ 3.96Å; L306-M333 HydrophobicContact CD2-CB 4.33Å; L306-M333 HydrophobicContact CD2-SD 4.25Å; L306-M333 HydrophobicContact CG-SD 4.32Å
307	A	97.3	Very high	97.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-56.6	-42.1	178.7	0	0	0	0	0	111.5	V257 A303 V304 V310 K311 Y312 M333	V257-A307 HydrophobicContact CG2-CB 4.46Å; A303-A307 WeakPolarHBondContact O-CB 3.3Å; A303-A307 PolarHBondContact O-N 2.82Å; V304-A307 PolarHBondContact O-N 3.31Å; A307-V310 WeakPolarHBondContact O-CG2 3.44Å; A307-K311 PolarHBondContact O-N 2.97Å; A307-Y312 WeakPolarHBondContact O-CB 3.04Å; A307-Y312 PolarHBondContact O-N 2.73Å; A307-M333 HydrophobicContact CB-CE 4.43Å
308	K	96.8	Very high	97.5	Very high	115 Å²	115	27.6 Å²	27.6	50%	0.5	14%	0.14	S	C	.	.	H	α-helix	trans	-68.2	-38.3	175.8	-74	176.3	177.5	176.3	0	112.7	A265 V304 Q305 L306 V310 K311	A265-K308 HydrophobicContact CB-CG 4.17Å; V304-K308 HydrophobicContact CG1-CD 4.07Å; V304-K308 HydrophobicContact CG1-CG 4.44Å; V304-K308 WeakPolarHBondContact O-CB 3.41Å; V304-K308 WeakPolarHBondContact O-CG 3.49Å; V304-K308 PolarHBondContact O-N 3.29Å; Q305-K308 PolarHBondContact O-N 3.18Å; L306-K308 VanDerWaalsContact C-N 3.27Å; L306-K308 PolarHBondContact O-N 3.38Å; K308-V310 PolarHBondContact O-N 3.38Å; K308-K311 PolarHBondContact O-N 3.38Å
309	A	96.3	Very high	97.5	Very high	53 Å²	53	26.6 Å²	26.6	44%	0.438	13%	0.13	S	C	.	.	H	α-helix	trans	-60.2	-36.1	179.6	0	0	0	0	0	112.2	I166 A170 Q305 L306	I166-A309 HydrophobicContact CG2-CB 4.34Å; A170-A309 HydrophobicContact CB-CB 3.84Å; Q305-A309 WeakPolarHBondContact O-CB 3.36Å; Q305-A309 PolarHBondContact O-N 2.86Å; L306-A309 WeakPolarHBondContact O-CB 3.36Å; L306-A309 PolarHBondContact O-N 3.46Å
310	V	95.6	Very high	97.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	5.9	177.2	-56.3	0	0	0	0	113.7	A153 A156 M157 I166 L306 A307 K308 Y312	A153-V310 HydrophobicContact CB-CB 4.45Å; A153-V310 HydrophobicContact CB-CG2 4.26Å; A156-V310 HydrophobicContact CB-CG1 4.31Å; M157-V310 HydrophobicContact CE-CG1 3.48Å; M157-V310 VanDerWaalsContact CE-CG1 3.48Å; M157-V310 HydrophobicContact CG-CG1 4.48Å; M157-V310 HydrophobicContact SD-CG1 4.01Å; I166-V310 HydrophobicContact CD1-CG1 4.44Å; I166-V310 HydrophobicContact CG2-CG1 3.7Å; L306-V310 PolarHBondContact O-N 3.15Å; A307-V310 WeakPolarHBondContact O-CG2 3.44Å; K308-V310 PolarHBondContact O-N 3.38Å; V310-Y312 HydrophobicContact CG2-CD2 4.03Å; V310-Y312 HydrophobicContact CG2-CG 4.43Å; V310-Y312 PolarHBondContact O-N 3.48Å
311	K	96	Very high	97.2	Very high	164 Å²	164	27.8 Å²	27.8	71%	0.713	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	44.9	-174.8	-55.2	176.4	-176.3	174.6	0	112.1	A307 K308	A307-K311 PolarHBondContact O-N 2.97Å; K308-K311 PolarHBondContact O-N 3.38Å
312	Y	97.3	Very high	97.1	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.027	12%	0.118	C	C	.	.			trans	-61.4	149.4	-177.1	-156.9	-95.8	0	0	0	111.7	P149 A153 A259 A307 V310 A315 G316 M333 T335 R336	P149-Y312 HydrophobicContact CB-CD2 4.01Å; P149-Y312 HydrophobicContact CB-CE1 4.25Å; P149-Y312 HydrophobicContact CB-CE2 3.51Å; P149-Y312 HydrophobicContact CG-CE2 3.82Å; P149-Y312 WeakPolarHBondContact CG-OH 3.34Å; A153-Y312 HydrophobicContact CB-CD2 3.87Å; A153-Y312 HydrophobicContact CB-CE2 4.38Å; A259-Y312 HydrophobicContact CB-CD1 4.42Å; A259-Y312 WeakPolarHBondContact CB-O 3.47Å; A307-Y312 WeakPolarHBondContact O-CB 3.04Å; A307-Y312 PolarHBondContact O-N 2.73Å; V310-Y312 HydrophobicContact CG2-CD2 4.03Å; V310-Y312 HydrophobicContact CG2-CG 4.43Å; V310-Y312 PolarHBondContact O-N 3.48Å; Y312-A315 PolarHBondContact OH-O 2.93Å; Y312-G316 VanDerWaalsContact OH-CA 3.25Å; Y312-G316 WeakPolarHBondContact OH-CA 3.32Å; Y312-M333 HydrophobicContact CD1-CE 3.94Å; Y312-M333 HydrophobicContact CD2-CE 3.34Å; Y312-M333 HydrophobicContact CD2-SD 4.18Å; Y312-M333 HydrophobicContact CE1-CE 4.01Å; Y312-M333 HydrophobicContact CE2-CE 3.42Å; Y312-M333 VanDerWaalsContact CE2-CE 3.42Å; Y312-M333 HydrophobicContact CE2-SD 4.34Å; Y312-M333 HydrophobicContact CG-CE 3.63Å; Y312-T335 HydrophobicContact CE2-CG2 3.88Å; Y312-T335 WeakPolarHBondContact OH-CA 3.45Å; Y312-R336 PolarHBondContact OH-N 3.49Å
313	S	96.4	Very high	96.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.118	C	C	.	.			trans	-140.1	159.8	171.9	65.7	0	0	0	0	110	P149 A259	P149-S313 VanDerWaalsContact CA-O 3.27Å; P149-S313 WeakPolarHBondContact CA-O 3.18Å; P149-S313 WeakPolarHBondContact CB-O 3.38Å; A259-S313 CarbonylContact O-C 3.39Å
314	S	97.5	Very high	96.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72	-164.5	-174.2	-156.6	0	0	0	0	112.2	G148 A259 M356	G148-S314 VanDerWaalsContact C-CB 3.5Å; A259-S314 PolarHBondContact N-O 3.4Å; A259-S314 PolarHBondContact O-N 2.87Å; S314-M356 WeakPolarHBondContact OG-CB 3.23Å; S314-M356 WeakPolarHBondContact OG-CE 3.31Å; S314-M356 VanDerWaalsContact OG-CG 3.27Å; S314-M356 WeakPolarHBondContact OG-CG 3.18Å
315	A	97.8	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143.9	174.2	0	0	0	0	0	111	V257 L258 Y312 L337 M356	V257-A315 WeakPolarHBondContact O-CA 3.39Å; L258-A315 HydrophobicContact CD1-CB 4.41Å; Y312-A315 PolarHBondContact OH-O 2.93Å; A315-L337 HydrophobicContact CB-CD1 4.22Å; A315-M356 HydrophobicContact CB-CG 3.67Å; A315-M356 HydrophobicContact CB-SD 3.73Å
316	G	97.5	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	168.6	174.5	0	0	0	0	0	110.2	Q256 V257 Y312	Q256-G316 PolarHBondContact NE2-O 2.8Å; V257-G316 VanDerWaalsContact CG2-O 3.25Å; V257-G316 WeakPolarHBondContact CG2-O 3.47Å; V257-G316 PolarHBondContact N-O 3.03Å; V257-G316 PolarHBondContact O-N 3.16Å; V257-G316 VanDerWaalsContact O-O 3.13Å; Y312-G316 VanDerWaalsContact OH-CA 3.25Å; Y312-G316 WeakPolarHBondContact OH-CA 3.32Å
317	T	98.3	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.6	177.8	-64	0	0	0	0	110.4	E254 I255 R271 E319 M333 N334 Q338	E254-T317 HydrophobicContact CB-CG2 3.62Å; E254-T317 HydrophobicContact CG-CG2 3.91Å; I255-T317 WeakPolarHBondContact O-CA 3.49Å; R271-T317 VanDerWaalsContact NH2-CG2 3.33Å; R271-T317 PolarHBondContact NH2-OG1 3.38Å; T317-E319 HydrophobicContact CG2-CG 4.28Å; T317-M333 CarbonylContact O-C 3.57Å; T317-M333 WeakPolarHBondContact O-CA 3.35Å; T317-N334 PolarHBondContact N-O 3.35Å; T317-N334 VanDerWaalsContact N-O 3.08Å; T317-N334 PolarHBondContact O-N 2.94Å; T317-Q338 VanDerWaalsContact CB-CG 3.49Å; T317-Q338 HydrophobicContact CG2-CG 3.9Å; T317-Q338 WeakPolarHBondContact OG1-CG 3.24Å
318	V	98.1	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.3	173.6	-174.5	0	0	0	0	107.7	E254 I255 V257 A303 L306 F320 F330 M333	E254-V318 CarbonylContact C-O 3.58Å; E254-V318 WeakPolarHBondContact CA-O 3.35Å; I255-V318 PolarHBondContact N-O 3.14Å; I255-V318 PolarHBondContact O-N 2.68Å; V257-V318 HydrophobicContact CG1-CG2 4.23Å; V257-V318 HydrophobicContact CG2-CG2 4.5Å; A303-V318 HydrophobicContact CB-CB 3.94Å; A303-V318 HydrophobicContact CB-CG1 4.39Å; A303-V318 HydrophobicContact CB-CG2 3.84Å; L306-V318 HydrophobicContact CD2-CG1 3.93Å; L306-V318 HydrophobicContact CD2-CG2 4.21Å; V318-F320 HydrophobicContact CB-CE2 3.99Å; V318-F320 HydrophobicContact CB-CZ 4.5Å; V318-F320 HydrophobicContact CG1-CD2 4.23Å; V318-F320 HydrophobicContact CG1-CE1 4.42Å; V318-F320 HydrophobicContact CG1-CE2 3.47Å; V318-F320 VanDerWaalsContact CG1-CE2 3.47Å; V318-F320 HydrophobicContact CG1-CZ 3.58Å; V318-F330 HydrophobicContact CG1-CD2 3.74Å; V318-F330 HydrophobicContact CG1-CE2 3.91Å; V318-M333 HydrophobicContact CG2-CE 4.3Å; V318-M333 HydrophobicContact CG2-CG 4.1Å; V318-M333 HydrophobicContact CG2-SD 4.21Å
319	E	97.1	Very high	95.4	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.051	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135	-178.6	-62.9	-167.1	173	0	0	110.4	H252 E254 K281 T317 L331 E332 N334 Q338	H252-E319 IonicContact CE1-OE2 3.45Å; H252-E319 PolarHBondContact CE1-OE2 2.79Å; H252-E319 VanDerWaalsContact CE1-OE2 3.29Å; H252-E319 VanDerWaalsContact NE2-CD 3.34Å; H252-E319 IonicContact NE2-OE1 2.68Å; H252-E319 IonicContact NE2-OE2 3.96Å; H252-E319 PolarHBondContact NE2-OE2 3.1Å; E254-E319 HydrophobicContact CB-CB 4.48Å; E254-E319 HydrophobicContact CB-CG 4.04Å; K281-E319 IonicContact NZ-OE1 2.92Å; K281-E319 PolarHBondContact NZ-OE1 3.3Å; T317-E319 HydrophobicContact CG2-CG 4.28Å; E319-L331 HydrophobicContact CB-CB 4.29Å; E319-L331 WeakPolarHBondContact O-CB 3.47Å; E319-L331 PolarHBondContact O-N 3.11Å; E319-E332 HydrophobicContact CB-CG 4.46Å; E319-E332 PolarHBondContact N-O 2.72Å; E319-N334 PolarHBondContact OE1-ND2 2.95Å; E319-Q338 PolarHBondContact OE1-NE2 2.94Å
320	F	96.6	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.3	175.8	-62.8	-91.2	0	0	0	111.2	V172 I253 I255 M299 A303 V318 F328 Y329 F330	V172-F320 HydrophobicContact CG1-CE1 3.94Å; V172-F320 HydrophobicContact CG1-CZ 4.36Å; I253-F320 PolarHBondContact N-O 3.27Å; I253-F320 CarbonylContact O-C 3.58Å; I253-F320 WeakPolarHBondContact O-CA 3.5Å; I253-F320 WeakPolarHBondContact O-CB 3.46Å; I253-F320 PolarHBondContact O-N 3.35Å; I255-F320 HydrophobicContact CB-CE2 4.49Å; I255-F320 HydrophobicContact CG1-CD2 4.17Å; I255-F320 HydrophobicContact CG1-CE2 3.88Å; M299-F320 HydrophobicContact CE-CB 3.73Å; M299-F320 HydrophobicContact CE-CD2 3.68Å; M299-F320 HydrophobicContact CE-CE2 4.47Å; M299-F320 HydrophobicContact CE-CG 3.81Å; A303-F320 HydrophobicContact CB-CE2 4.35Å; V318-F320 HydrophobicContact CB-CE2 3.99Å; V318-F320 HydrophobicContact CB-CZ 4.5Å; V318-F320 HydrophobicContact CG1-CD2 4.23Å; V318-F320 HydrophobicContact CG1-CE1 4.42Å; V318-F320 HydrophobicContact CG1-CE2 3.47Å; V318-F320 VanDerWaalsContact CG1-CE2 3.47Å; V318-F320 HydrophobicContact CG1-CZ 3.58Å; F320-F328 HydrophobicContact CB-CB 4.5Å; F320-F328 AromaticContact CD1-CD2 3.69Å; F320-F328 HydrophobicContact CD1-CD2 3.69Å; F320-F328 HydrophobicContact CD1-CE2 4.49Å; F320-F328 AromaticContact CE1-CD2 3.8Å; F320-F328 HydrophobicContact CE1-CD2 3.8Å; F320-F328 HydrophobicContact CE1-CE2 4.15Å; F320-F328 HydrophobicContact CG-CD2 4.42Å; F320-Y329 CarbonylContact C-O 3.31Å; F320-Y329 VanDerWaalsContact CA-O 3.24Å; F320-Y329 WeakPolarHBondContact CA-O 3.5Å; F320-F330 HydrophobicContact CD1-CB 4.39Å; F320-F330 HydrophobicContact CE1-CB 4.2Å
321	L	94.8	Very high	95	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.136	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.1	160.5	-64.9	-179.9	0	0	0	108.7	I175 P250 F328 Y329 L331	I175-L321 HydrophobicContact CD1-CD1 3.98Å; P250-L321 HydrophobicContact CB-CB 4.27Å; P250-L321 HydrophobicContact CB-CD2 4.15Å; P250-L321 HydrophobicContact CG-CD2 4.29Å; L321-F328 CarbonylContact O-C 3.49Å; L321-F328 WeakPolarHBondContact O-CA 3.28Å; L321-Y329 PolarHBondContact N-O 3.07Å; L321-Y329 PolarHBondContact O-N 3.11Å; L321-L331 HydrophobicContact CD1-CD1 4.24Å; L321-L331 HydrophobicContact CD2-CD2 4.37Å; L321-L331 HydrophobicContact CG-CD1 4.45Å; L321-L331 HydrophobicContact CG-CD2 4.4Å
322	V	95.3	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.1	179.1	-169.8	0	0	0	0	109.1	R251 I253 F290 L291 M299 N327 F328	R251-V322 HydrophobicContact CB-CB 4.43Å; R251-V322 PolarHBondContact N-O 3Å; R251-V322 PolarHBondContact O-N 3.05Å; I253-V322 HydrophobicContact CB-CG2 3.95Å; I253-V322 HydrophobicContact CD1-CB 4.15Å; I253-V322 HydrophobicContact CD1-CG2 3.86Å; I253-V322 HydrophobicContact CG1-CG2 4.21Å; F290-V322 HydrophobicContact CD1-CG1 4.11Å; F290-V322 HydrophobicContact CE1-CG1 3.88Å; L291-V322 HydrophobicContact CD2-CG1 4.35Å; M299-V322 HydrophobicContact CE-CG2 3.93Å; M299-V322 HydrophobicContact SD-CG2 4.23Å; V322-N327 WeakPolarHBondContact CA-O 3.37Å; V322-F328 HydrophobicContact CG1-CB 4.47Å; V322-F328 HydrophobicContact CG2-CB 3.84Å
323	D	92.3	Very high	94.7	Very high	22 Å²	22	28.6 Å²	28.6	12%	0.118	15%	0.147	C	C	.	.			trans	-83.5	174.9	178.2	73.1	19.9	0	0	0	112.5	I247 F290 Q325 K326 N327 Y329	I247-D323 HydrophobicContact CG2-CB 3.8Å; F290-D323 VanDerWaalsContact CE1-O 3.31Å; F290-D323 WeakPolarHBondContact CE1-O 3.41Å; D323-Q325 PolarHBondContact O-N 2.93Å; D323-Q325 VanDerWaalsContact O-N 3.14Å; D323-Q325 WeakPolarHBondContact OD1-CA 3.41Å; D323-Q325 WeakPolarHBondContact OD1-CB 3.27Å; D323-Q325 PolarHBondContact OD1-N 2.85Å; D323-K326 PolarHBondContact O-N 2.58Å; D323-K326 PolarHBondContact OD1-N 3.31Å; D323-K326 VanDerWaalsContact OD1-N 3.09Å; D323-N327 PolarHBondContact N-O 2.76Å; D323-N327 PolarHBondContact OD1-N 3.03Å; D323-N327 PolarHBondContact OD1-ND2 2.64Å; D323-N327 VanDerWaalsContact OD2-CB 3.3Å; D323-N327 WeakPolarHBondContact OD2-CB 3.43Å; D323-N327 PolarHBondContact OD2-ND2 3.01Å; D323-Y329 HydrophobicContact CB-CE2 4.5Å; D323-Y329 PolarHBondContact OD2-OH 2.93Å
324	S	89.2	Confident	94.6	Very high	102 Å²	102	29.1 Å²	29.1	71%	0.713	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.9	-179.8	59.4	0	0	0	0	114.5
325	Q	90.1	Very high	94.5	Very high	152 Å²	152	29.2 Å²	29.2	71%	0.71	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	7	176.4	-60.9	-179.5	20.1	0	0	112.4	D323 N327	D323-Q325 PolarHBondContact O-N 2.93Å; D323-Q325 VanDerWaalsContact O-N 3.14Å; D323-Q325 WeakPolarHBondContact OD1-CA 3.41Å; D323-Q325 WeakPolarHBondContact OD1-CB 3.27Å; D323-Q325 PolarHBondContact OD1-N 2.85Å; Q325-N327 PolarHBondContact O-N 2.68Å
326	K	92.4	Very high	94.4	Very high	67 Å²	67	31 Å²	31	29%	0.291	16%	0.157	S	C	.	.			trans	64.7	19.2	-175.8	-56.4	173.7	173.5	-178.2	0	114.1	F290 D292 T295 D323	F290-K326 HydrophobicContact CD1-CG 4.21Å; F290-K326 HydrophobicContact CE1-CB 4.38Å; F290-K326 HydrophobicContact CE1-CG 3.54Å; F290-K326 HydrophobicContact CZ-CG 3.79Å; F290-K326 WeakPolarHBondContact O-CE 3.08Å; D292-K326 WeakPolarHBondContact OD2-CD 3.33Å; D292-K326 IonicContact OD2-NZ 3.72Å; D292-K326 PolarHBondContact OD2-NZ 2.67Å; T295-K326 HydrophobicContact CG2-CB 4.41Å; D323-K326 PolarHBondContact O-N 2.58Å; D323-K326 PolarHBondContact OD1-N 3.31Å; D323-K326 VanDerWaalsContact OD1-N 3.09Å
327	N	93.4	Very high	94.5	Very high	67 Å²	67	31 Å²	31	36%	0.358	16%	0.157	S	C	.	.			trans	-72.8	133.3	163.2	-48.5	-66	0	0	0	107.6	V322 D323 Q325 Y329	V322-N327 WeakPolarHBondContact CA-O 3.37Å; D323-N327 PolarHBondContact N-O 2.76Å; D323-N327 PolarHBondContact OD1-N 3.03Å; D323-N327 PolarHBondContact OD1-ND2 2.64Å; D323-N327 VanDerWaalsContact OD2-CB 3.3Å; D323-N327 WeakPolarHBondContact OD2-CB 3.43Å; D323-N327 PolarHBondContact OD2-ND2 3.01Å; Q325-N327 PolarHBondContact O-N 2.68Å; N327-Y329 HydrophobicContact CB-CE2 3.88Å; N327-Y329 VanDerWaalsContact CB-OH 3.3Å; N327-Y329 WeakPolarHBondContact CB-OH 3.33Å
328	F	95.9	Very high	94.4	Very high	13 Å²	13	31.3 Å²	31.3	6%	0.057	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.7	-178.3	62.3	-90.7	0	0	0	110.2	N173 T295 A298 M299 Q302 F320 L321 V322	N173-F328 HydrophobicContact CB-CD2 4.36Å; N173-F328 HydrophobicContact CB-CE2 4.26Å; N173-F328 WeakPolarHBondContact CB-O 3.25Å; N173-F328 WeakPolarHBondContact ND2-CE2 3.16Å; N173-F328 VanDerWaalsContact ND2-CZ 3.35Å; N173-F328 WeakPolarHBondContact ND2-CZ 3.48Å; N173-F328 PolarHBondContact ND2-O 3.41Å; T295-F328 HydrophobicContact CG2-CD1 4.06Å; T295-F328 HydrophobicContact CG2-CE1 4.41Å; A298-F328 HydrophobicContact CB-CE1 4.01Å; A298-F328 HydrophobicContact CB-CZ 3.99Å; M299-F328 HydrophobicContact CB-CE2 4.48Å; M299-F328 HydrophobicContact CE-CB 4.27Å; M299-F328 HydrophobicContact CG-CB 4.12Å; M299-F328 HydrophobicContact CG-CD1 3.6Å; M299-F328 HydrophobicContact CG-CD2 3.61Å; M299-F328 HydrophobicContact CG-CE1 3.8Å; M299-F328 HydrophobicContact CG-CE2 3.79Å; M299-F328 HydrophobicContact CG-CG 3.49Å; M299-F328 VanDerWaalsContact CG-CG 3.49Å; M299-F328 HydrophobicContact CG-CZ 3.88Å; M299-F328 HydrophobicContact SD-CB 4.03Å; M299-F328 HydrophobicContact SD-CD1 4.24Å; M299-F328 HydrophobicContact SD-CG 4.05Å; Q302-F328 HydrophobicContact CG-CE2 4.47Å; F320-F328 HydrophobicContact CB-CB 4.5Å; F320-F328 AromaticContact CD1-CD2 3.69Å; F320-F328 HydrophobicContact CD1-CD2 3.69Å; F320-F328 HydrophobicContact CD1-CE2 4.49Å; F320-F328 AromaticContact CE1-CD2 3.8Å; F320-F328 HydrophobicContact CE1-CD2 3.8Å; F320-F328 HydrophobicContact CE1-CE2 4.15Å; F320-F328 HydrophobicContact CG-CD2 4.42Å; L321-F328 CarbonylContact O-C 3.49Å; L321-F328 WeakPolarHBondContact O-CA 3.28Å; V322-F328 HydrophobicContact CG1-CB 4.47Å; V322-F328 HydrophobicContact CG2-CB 3.84Å
329	Y	95.2	Very high	94.4	Very high	43 Å²	43	31.9 Å²	31.9	17%	0.169	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130	-174.4	-49.7	-84.4	0	0	0	110.2	I175 I247 F320 L321 D323 N327 L331	I175-Y329 VanDerWaalsContact CG1-CB 3.4Å; I175-Y329 HydrophobicContact CG1-CG 4.17Å; I247-Y329 HydrophobicContact CD1-CD2 4.25Å; I247-Y329 HydrophobicContact CD1-CE2 4.02Å; I247-Y329 HydrophobicContact CG1-CD2 4.32Å; I247-Y329 HydrophobicContact CG1-CE2 4.49Å; F320-Y329 CarbonylContact C-O 3.31Å; F320-Y329 VanDerWaalsContact CA-O 3.24Å; F320-Y329 WeakPolarHBondContact CA-O 3.5Å; L321-Y329 PolarHBondContact N-O 3.07Å; L321-Y329 PolarHBondContact O-N 3.11Å; D323-Y329 HydrophobicContact CB-CE2 4.5Å; D323-Y329 PolarHBondContact OD2-OH 2.93Å; N327-Y329 HydrophobicContact CB-CE2 3.88Å; N327-Y329 VanDerWaalsContact CB-OH 3.3Å; N327-Y329 WeakPolarHBondContact CB-OH 3.33Å; Y329-L331 PolarHBondContact O-N 2.98Å
330	F	94.8	Very high	94.5	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	128	176.9	172	-104.7	0	0	0	110.4	A167 V172 N173 L306 V318 F320 E332 M333	A167-F330 HydrophobicContact CB-CD1 3.67Å; A167-F330 HydrophobicContact CB-CE1 3.87Å; A167-F330 HydrophobicContact CB-CG 4.11Å; A167-F330 HydrophobicContact CB-CZ 4.47Å; V172-F330 HydrophobicContact CG1-CB 3.81Å; V172-F330 HydrophobicContact CG1-CG 4.38Å; N173-F330 VanDerWaalsContact O-CB 3.26Å; N173-F330 WeakPolarHBondContact O-CB 3.25Å; N173-F330 PolarHBondContact O-N 3.36Å; L306-F330 HydrophobicContact CD2-CD2 3.86Å; L306-F330 HydrophobicContact CD2-CE2 3.34Å; L306-F330 HydrophobicContact CD2-CZ 3.96Å; V318-F330 HydrophobicContact CG1-CD2 3.74Å; V318-F330 HydrophobicContact CG1-CE2 3.91Å; F320-F330 HydrophobicContact CD1-CB 4.39Å; F320-F330 HydrophobicContact CE1-CB 4.2Å; F330-E332 WeakPolarHBondContact CE2-O 3.28Å; F330-E332 VanDerWaalsContact CZ-CA 3.5Å; F330-M333 HydrophobicContact CE2-CB 4.18Å; F330-M333 HydrophobicContact CZ-CB 4.42Å
331	L	90.1	Very high	94.6	Very high	43 Å²	43	31.3 Å²	31.3	23%	0.225	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-61.8	175	-176.8	63.4	0	0	0	110.2	I175 E319 L321 Y329	I175-L331 HydrophobicContact CD1-CD1 4.46Å; E319-L331 HydrophobicContact CB-CB 4.29Å; E319-L331 WeakPolarHBondContact O-CB 3.47Å; E319-L331 PolarHBondContact O-N 3.11Å; L321-L331 HydrophobicContact CD1-CD1 4.24Å; L321-L331 HydrophobicContact CD2-CD2 4.37Å; L321-L331 HydrophobicContact CG-CD1 4.45Å; L321-L331 HydrophobicContact CG-CD2 4.4Å; Y329-L331 PolarHBondContact O-N 2.98Å
332	E	91	Very high	94.7	Very high	41 Å²	41	30.1 Å²	30.1	19%	0.192	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	171.3	177.3	60.6	-175.6	-164.5	0	0	111.2	E319 F330	E319-E332 HydrophobicContact CB-CG 4.46Å; E319-E332 PolarHBondContact N-O 2.72Å; F330-E332 WeakPolarHBondContact CE2-O 3.28Å; F330-E332 VanDerWaalsContact CZ-CA 3.5Å
333	M	94.2	Very high	94.9	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.1	171.5	-177.2	176.6	-173.9	0	0	109.5	M157 V257 L306 A307 Y312 T317 V318 F330 T335	M157-M333 HydrophobicContact CB-CB 4.31Å; M157-M333 HydrophobicContact CG-CB 4.04Å; M157-M333 HydrophobicContact CG-CG 4.31Å; M157-M333 HydrophobicContact CG-SD 4.01Å; M157-M333 HydrophobicContact SD-CB 3.8Å; M157-M333 HydrophobicContact SD-CG 4.39Å; M157-M333 HydrophobicContact SD-SD 3.93Å; V257-M333 HydrophobicContact CG2-CE 3.79Å; L306-M333 HydrophobicContact CD2-CB 4.33Å; L306-M333 HydrophobicContact CD2-SD 4.25Å; L306-M333 HydrophobicContact CG-SD 4.32Å; A307-M333 HydrophobicContact CB-CE 4.43Å; Y312-M333 HydrophobicContact CD1-CE 3.94Å; Y312-M333 HydrophobicContact CD2-CE 3.34Å; Y312-M333 HydrophobicContact CD2-SD 4.18Å; Y312-M333 HydrophobicContact CE1-CE 4.01Å; Y312-M333 HydrophobicContact CE2-CE 3.42Å; Y312-M333 VanDerWaalsContact CE2-CE 3.42Å; Y312-M333 HydrophobicContact CE2-SD 4.34Å; Y312-M333 HydrophobicContact CG-CE 3.63Å; T317-M333 CarbonylContact O-C 3.57Å; T317-M333 WeakPolarHBondContact O-CA 3.35Å; V318-M333 HydrophobicContact CG2-CE 4.3Å; V318-M333 HydrophobicContact CG2-CG 4.1Å; V318-M333 HydrophobicContact CG2-SD 4.21Å; F330-M333 HydrophobicContact CE2-CB 4.18Å; F330-M333 HydrophobicContact CZ-CB 4.42Å; M333-T335 PolarHBondContact O-N 2.91Å
334	N	94.8	Very high	95.2	Very high	11 Å²	11	29 Å²	29	6%	0.059	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.1	174.8	-79	-76.3	0	0	0	109.5	T317 E319 R336 Q338	T317-N334 PolarHBondContact N-O 3.35Å; T317-N334 VanDerWaalsContact N-O 3.08Å; T317-N334 PolarHBondContact O-N 2.94Å; E319-N334 PolarHBondContact OE1-ND2 2.95Å; N334-R336 HydrophobicContact CB-CG 4.42Å; N334-R336 PolarHBondContact O-N 3.31Å; N334-R336 PolarHBondContact OD1-NH2 3.45Å; N334-Q338 PolarHBondContact ND2-NE2 3.29Å; N334-Q338 VanDerWaalsContact ND2-NE2 3.18Å
335	T	96.1	Very high	95.6	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.025	11%	0.114	C	C	.	.			trans	-88.9	42.7	-169.2	59.4	0	0	0	0	112.7	E131 P149 M157 Y312 M333	E131-T335 PolarHBondContact OE1-N 3.28Å; E131-T335 PolarHBondContact OE1-OG1 3.19Å; P149-T335 VanDerWaalsContact CD-O 3.27Å; P149-T335 WeakPolarHBondContact CD-O 3.23Å; P149-T335 WeakPolarHBondContact CG-O 3.16Å; M157-T335 HydrophobicContact CB-CG2 3.58Å; M157-T335 HydrophobicContact CG-CG2 3.96Å; Y312-T335 HydrophobicContact CE2-CG2 3.88Å; Y312-T335 WeakPolarHBondContact OH-CA 3.45Å; M333-T335 PolarHBondContact O-N 2.91Å
336	R	96.4	Very high	96	Very high	38 Å²	38	17.9 Å²	17.9	14%	0.143	9%	0.086	C	C	.	.	S	Bend	trans	-157.4	172.1	-170.8	54.5	174.5	174.7	74.2	10.1	111.3	E131 Y312 N334	E131-R336 HydrophobicContact CG-CB 4.23Å; E131-R336 HydrophobicContact CG-CG 4.08Å; E131-R336 IonicContact OE1-NE 2.82Å; E131-R336 WeakPolarHBondContact OE2-CD 3.21Å; E131-R336 IonicContact OE2-NE 3.81Å; E131-R336 PolarHBondContact OE2-NE 3.15Å; Y312-R336 PolarHBondContact OH-N 3.49Å; N334-R336 HydrophobicContact CB-CG 4.42Å; N334-R336 PolarHBondContact O-N 3.31Å; N334-R336 PolarHBondContact OD1-NH2 3.45Å
337	L	97.7	Very high	96.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.			trans	-63.1	135.6	163.7	-170.5	62.6	0	0	0	109	I57 Y126 A315 H341 L352 V353 M356	I57-L337 HydrophobicContact CD1-CD2 4.21Å; Y126-L337 WeakPolarHBondContact CB-O 3.43Å; A315-L337 HydrophobicContact CB-CD1 4.22Å; L337-H341 HydrophobicContact CD1-CB 3.7Å; L337-H341 HydrophobicContact CG-CB 4.23Å; L337-L352 HydrophobicContact CD1-CB 4.01Å; L337-L352 HydrophobicContact CD1-CD1 4.36Å; L337-V353 HydrophobicContact CD2-CG2 3.83Å; L337-M356 HydrophobicContact CB-CE 4.25Å; L337-M356 HydrophobicContact CB-SD 3.96Å; L337-M356 HydrophobicContact CD1-SD 3.99Å; L337-M356 HydrophobicContact CD2-SD 4.17Å; L337-M356 HydrophobicContact CG-SD 4.27Å
338	Q	97.4	Very high	96.4	Very high	5 Å²	5	11.6 Å²	11.6	2%	0.023	6%	0.055	C	C	.	.			trans	-82.2	157.7	172.9	-81.6	-68.7	20.5	0	0	111.5	T317 E319 N334 E340 H341	T317-Q338 VanDerWaalsContact CB-CG 3.49Å; T317-Q338 HydrophobicContact CG2-CG 3.9Å; T317-Q338 WeakPolarHBondContact OG1-CG 3.24Å; E319-Q338 PolarHBondContact OE1-NE2 2.94Å; N334-Q338 PolarHBondContact ND2-NE2 3.29Å; N334-Q338 VanDerWaalsContact ND2-NE2 3.18Å; Q338-E340 VanDerWaalsContact C-N 3.33Å; Q338-E340 HydrophobicContact CB-CG 4.25Å; Q338-H341 WeakPolarHBondContact O-CB 3.49Å; Q338-H341 PolarHBondContact O-N 3.31Å; Q338-H341 PolarHBondContact O-ND1 3.31Å
339	V	98	Very high	96.3	Very high	12 Å²	12	11.5 Å²	11.5	7%	0.073	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-47.2	-179	179.2	0	0	0	0	109.3	Y126 H341 P342 M431 K434	Y126-V339 HydrophobicContact CD1-CG2 4Å; Y126-V339 HydrophobicContact CD2-CG2 3.92Å; Y126-V339 HydrophobicContact CE1-CB 4.3Å; Y126-V339 HydrophobicContact CE1-CG1 4.43Å; Y126-V339 HydrophobicContact CE1-CG2 3.91Å; Y126-V339 HydrophobicContact CE2-CG2 3.87Å; Y126-V339 HydrophobicContact CG-CG2 4.02Å; V339-H341 PolarHBondContact O-N 3.29Å; V339-H341 PolarHBondContact O-ND1 3.14Å; V339-P342 WeakPolarHBondContact O-CD 3.38Å; V339-M431 HydrophobicContact CG1-CE 3.92Å; V339-M431 HydrophobicContact CG1-SD 4.09Å; V339-K434 HydrophobicContact CG1-CD 3.67Å; V339-K434 HydrophobicContact CG1-CG 4.39Å; V339-K434 WeakPolarHBondContact O-CD 3.42Å; V339-K434 PolarHBondContact O-NZ 2.91Å; V339-K434 VanDerWaalsContact O-NZ 3.1Å
340	E	98.2	Very high	96.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	16.2	179.6	63	-92.6	-132.4	0	0	114.4	E254 R271 K281 E284 Q338 P342 I343 E380 R382	E254-E340 WeakPolarHBondContact OE1-CG 3.36Å; E254-E340 VanDerWaalsContact OE1-OE1 3.09Å; R271-E340 WeakPolarHBondContact CD-O 3.48Å; K281-E340 WeakPolarHBondContact CD-OE1 3.29Å; K281-E340 WeakPolarHBondContact CE-OE1 3.25Å; K281-E340 IonicContact NZ-OE1 2.67Å; K281-E340 PolarHBondContact NZ-OE1 3.29Å; E284-E340 HydrophobicContact CB-CB 4.05Å; E284-E340 HydrophobicContact CG-CB 3.78Å; E284-E340 HydrophobicContact CG-CG 4.19Å; Q338-E340 VanDerWaalsContact C-N 3.33Å; Q338-E340 HydrophobicContact CB-CG 4.25Å; E340-P342 VanDerWaalsContact C-N 3.29Å; E340-I343 WeakPolarHBondContact O-CG1 3.45Å; E340-E380 VanDerWaalsContact CA-OE1 3.27Å; E340-E380 WeakPolarHBondContact CA-OE1 3.22Å; E340-R382 IonicContact OE1-NH2 2.65Å; E340-R382 IonicContact OE2-NH2 3.78Å; E340-R382 PolarHBondContact OE2-NH2 2.82Å
341	H	98.6	Very high	96.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-29.1	172.4	77.8	-85.1	0	0	0	114.8	R60 L337 Q338 V339 I343 T344 E345 L352	R60-H341 PolarHBondContact NE-NE2 2.65Å; R60-H341 VanDerWaalsContact NE-NE2 3.15Å; L337-H341 HydrophobicContact CD1-CB 3.7Å; L337-H341 HydrophobicContact CG-CB 4.23Å; Q338-H341 WeakPolarHBondContact O-CB 3.49Å; Q338-H341 PolarHBondContact O-N 3.31Å; Q338-H341 PolarHBondContact O-ND1 3.31Å; V339-H341 PolarHBondContact O-N 3.29Å; V339-H341 PolarHBondContact O-ND1 3.14Å; H341-I343 VanDerWaalsContact C-N 3.28Å; H341-I343 PolarHBondContact O-N 3.49Å; H341-T344 WeakPolarHBondContact O-CB 3.44Å; H341-T344 PolarHBondContact O-N 3.34Å; H341-E345 IonicContact CD2-OE1 3.15Å; H341-E345 PolarHBondContact CD2-OE1 2.94Å; H341-E345 IonicContact CD2-OE2 2.7Å; H341-E345 IonicContact NE2-OE1 2.79Å; H341-E345 IonicContact NE2-OE2 3.83Å; H341-E345 WeakPolarHBondContact O-CG 3.49Å; H341-E345 PolarHBondContact O-N 3.15Å; H341-L352 HydrophobicContact CB-CD1 3.77Å
342	P	98.7	Very high	96.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-55.8	-35.3	-178.9	-30.2	38.9	0	0	0	114.9	V339 E340 T344 E345 C346 E380 D415 K434 V436	V339-P342 WeakPolarHBondContact O-CD 3.38Å; E340-P342 VanDerWaalsContact C-N 3.29Å; P342-T344 VanDerWaalsContact C-N 3.35Å; P342-E345 WeakPolarHBondContact O-CB 3.44Å; P342-E345 PolarHBondContact O-N 3.37Å; P342-C346 PolarHBondContact O-N 3.34Å; P342-C346 PolarHBondContact O-SG 3.48Å; P342-E380 WeakPolarHBondContact CB-OE2 3.38Å; P342-E380 WeakPolarHBondContact CD-OE2 3.3Å; P342-E380 WeakPolarHBondContact CG-OE2 3.41Å; P342-D415 WeakPolarHBondContact CG-OD2 3.44Å; P342-K434 HydrophobicContact CG-CD 4.5Å; P342-V436 HydrophobicContact CB-CG2 3.74Å; P342-V436 HydrophobicContact CG-CG2 4.47Å
343	I	98.6	Very high	97.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-68	-35.1	177.7	46.9	167	0	0	0	112	R271 E284 A286 E340 H341 C346 I347 A378 E380 V436	R271-I343 HydrophobicContact CB-CD1 4.02Å; R271-I343 HydrophobicContact CG-CD1 3.74Å; R271-I343 HydrophobicContact CG-CG1 4.09Å; E284-I343 HydrophobicContact CB-CD1 3.6Å; A286-I343 HydrophobicContact CB-CB 4Å; A286-I343 HydrophobicContact CB-CD1 4.06Å; A286-I343 HydrophobicContact CB-CG1 4.19Å; E340-I343 WeakPolarHBondContact O-CG1 3.45Å; H341-I343 VanDerWaalsContact C-N 3.28Å; H341-I343 PolarHBondContact O-N 3.49Å; I343-C346 PolarHBondContact O-N 2.84Å; I343-I347 PolarHBondContact O-N 3.21Å; I343-A378 HydrophobicContact CB-CB 3.88Å; I343-A378 HydrophobicContact CG2-CB 3.79Å; I343-E380 HydrophobicContact CG2-CB 3.62Å; I343-V436 HydrophobicContact CG2-CG1 3.9Å
344	T	98.6	Very high	97.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.1	-42.6	169.4	-62.3	0	0	0	0	111.1	Q256 L268 R271 H341 P342 C346 I347 T348 L352	Q256-T344 HydrophobicContact CB-CG2 4.14Å; Q256-T344 HydrophobicContact CG-CG2 4.07Å; L268-T344 HydrophobicContact CB-CG2 3.78Å; L268-T344 VanDerWaalsContact O-CG2 3.27Å; L268-T344 WeakPolarHBondContact O-CG2 3.33Å; R271-T344 WeakPolarHBondContact CD-OG1 3.47Å; R271-T344 WeakPolarHBondContact CG-OG1 3.34Å; R271-T344 PolarHBondContact NH1-OG1 2.88Å; H341-T344 WeakPolarHBondContact O-CB 3.44Å; H341-T344 PolarHBondContact O-N 3.34Å; P342-T344 VanDerWaalsContact C-N 3.35Å; T344-C346 VanDerWaalsContact C-N 3.31Å; T344-C346 PolarHBondContact O-N 3Å; T344-I347 WeakPolarHBondContact O-CG1 3.3Å; T344-I347 PolarHBondContact O-N 3.34Å; T344-T348 HydrophobicContact CG2-CG2 4.12Å; T344-T348 WeakPolarHBondContact O-CB 3.2Å; T344-T348 WeakPolarHBondContact O-CG2 3.42Å; T344-T348 PolarHBondContact O-N 3.12Å; T344-T348 PolarHBondContact O-OG1 3.21Å; T344-L352 HydrophobicContact CG2-CD1 4.32Å
345	E	98.3	Very high	97.4	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-61.4	-40.3	177	-58.8	-167.9	147.3	0	0	111.8	Y35 R60 H341 P342 I347 G349 L350 L352 R413	Y35-E345 HydrophobicContact CE1-CB 4.12Å; Y35-E345 PolarHBondContact OH-OE2 3.37Å; R60-E345 IonicContact CZ-OE1 2.87Å; R60-E345 IonicContact CZ-OE2 3.97Å; R60-E345 IonicContact NE-OE2 2.65Å; R60-E345 VanDerWaalsContact NH2-CD 3.28Å; R60-E345 IonicContact NH2-OE1 3.98Å; R60-E345 PolarHBondContact NH2-OE1 2.71Å; R60-E345 IonicContact NH2-OE2 3.45Å; R60-E345 PolarHBondContact NH2-OE2 3.45Å; R60-E345 VanDerWaalsContact NH2-OE2 3.12Å; H341-E345 IonicContact CD2-OE1 3.15Å; H341-E345 PolarHBondContact CD2-OE1 2.94Å; H341-E345 IonicContact CD2-OE2 2.7Å; H341-E345 IonicContact NE2-OE1 2.79Å; H341-E345 IonicContact NE2-OE2 3.83Å; H341-E345 WeakPolarHBondContact O-CG 3.49Å; H341-E345 PolarHBondContact O-N 3.15Å; P342-E345 WeakPolarHBondContact O-CB 3.44Å; P342-E345 PolarHBondContact O-N 3.37Å; E345-I347 PolarHBondContact O-N 2.89Å; E345-G349 VanDerWaalsContact O-CA 3.28Å; E345-G349 WeakPolarHBondContact O-CA 3.35Å; E345-G349 PolarHBondContact O-N 3.11Å; E345-L350 VanDerWaalsContact CB-O 3.31Å; E345-L350 WeakPolarHBondContact CB-O 3.5Å; E345-L350 WeakPolarHBondContact CG-O 3.49Å; E345-L352 HydrophobicContact CG-CD1 3.99Å; E345-L352 HydrophobicContact CG-CG 4.07Å; E345-L352 WeakPolarHBondContact OE1-CB 3.06Å; E345-L352 PolarHBondContact OE1-N 3.02Å; E345-R413 IonicContact OE2-CZ 3.09Å; E345-R413 IonicContact OE2-NH1 3.47Å; E345-R413 PolarHBondContact OE2-NH1 3.43Å; E345-R413 IonicContact OE2-NH2 3.37Å; E345-R413 PolarHBondContact OE2-NH2 3.32Å
346	C	97.6	Very high	97.5	Very high	19 Å²	19	4.8 Å²	4.8	13%	0.128	3%	0.027	C	C	.	.	H	α-helix	trans	-66.1	-37.1	-178.4	-68	0	0	0	0	112.9	P342 I343 T344 A378 Y438	P342-C346 PolarHBondContact O-N 3.34Å; P342-C346 PolarHBondContact O-SG 3.48Å; I343-C346 PolarHBondContact O-N 2.84Å; T344-C346 VanDerWaalsContact C-N 3.31Å; T344-C346 PolarHBondContact O-N 3Å; C346-A378 HydrophobicContact CB-CB 3.69Å; C346-Y438 HydrophobicContact CB-CD1 4.2Å; C346-Y438 HydrophobicContact CB-CG 4.05Å
347	I	97.3	Very high	97.5	Very high	1 Å²	1	3.1 Å²	3.1	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-85.8	-25.7	178.8	66.9	166.7	0	0	0	113.6	N269 A286 I343 T344 E345 N375 A378	N269-I347 HydrophobicContact CB-CD1 4.3Å; A286-I347 HydrophobicContact CB-CD1 3.74Å; A286-I347 HydrophobicContact CB-CG1 4.35Å; A286-I347 WeakPolarHBondContact O-CG2 3.44Å; I343-I347 PolarHBondContact O-N 3.21Å; T344-I347 WeakPolarHBondContact O-CG1 3.3Å; T344-I347 PolarHBondContact O-N 3.34Å; E345-I347 PolarHBondContact O-N 2.89Å; I347-N375 WeakPolarHBondContact O-CB 3.37Å; I347-N375 PolarHBondContact O-N 3.35Å; I347-N375 PolarHBondContact O-ND2 2.94Å; I347-A378 HydrophobicContact CG2-CB 3.95Å
348	T	97	Very high	97.5	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.006	2%	0.023	C	C	.	.	H	α-helix	trans	-94.7	-27.1	-178.7	59.9	0	0	0	0	113.2	L268 T344 L350 I372 P373	L268-T348 HydrophobicContact CB-CG2 4.33Å; T344-T348 HydrophobicContact CG2-CG2 4.12Å; T344-T348 WeakPolarHBondContact O-CB 3.2Å; T344-T348 WeakPolarHBondContact O-CG2 3.42Å; T344-T348 PolarHBondContact O-N 3.12Å; T344-T348 PolarHBondContact O-OG1 3.21Å; T348-L350 VanDerWaalsContact C-N 3.29Å; T348-L350 PolarHBondContact OG1-N 3.08Å; T348-I372 HydrophobicContact CG2-CG2 4.16Å; T348-P373 WeakPolarHBondContact O-CG 3.23Å
349	G	94.8	Very high	97.5	Very high	11 Å²	11	3.7 Å²	3.7	11%	0.113	2%	0.023	C	C	.	.			trans	72.2	17.6	-169.2	0	0	0	0	0	113.5	Y35 S36 E345	Y35-G349 CarbonylContact C-O 3.53Å; Y35-G349 WeakPolarHBondContact CA-O 3.49Å; S36-G349 PolarHBondContact N-O 3.1Å; S36-G349 PolarHBondContact OG-O 2.78Å; S36-G349 VanDerWaalsContact OG-O 3.09Å; E345-G349 VanDerWaalsContact O-CA 3.28Å; E345-G349 WeakPolarHBondContact O-CA 3.35Å; E345-G349 PolarHBondContact O-N 3.11Å
350	L	95.1	Very high	97.4	Very high	3 Å²	3	3.6 Å²	3.6	2%	0.016	2%	0.023	C	C	.	.			trans	-100.3	132.9	178.9	-61.4	178.3	0	0	0	110.9	T37 L268 E345 T348 L352 H367 I372	T37-L350 HydrophobicContact CG2-CD2 3.83Å; L268-L350 HydrophobicContact CD1-CD1 4.19Å; L268-L350 HydrophobicContact CD2-CD1 3.88Å; E345-L350 VanDerWaalsContact CB-O 3.31Å; E345-L350 WeakPolarHBondContact CB-O 3.5Å; E345-L350 WeakPolarHBondContact CG-O 3.49Å; T348-L350 VanDerWaalsContact C-N 3.29Å; T348-L350 PolarHBondContact OG1-N 3.08Å; L350-L352 PolarHBondContact O-N 3.09Å; L350-H367 VanDerWaalsContact CD2-CE1 3.4Å; L350-H367 WeakPolarHBondContact CD2-CE1 3.33Å; L350-I372 HydrophobicContact CD1-CD1 3.95Å
351	D	96.8	Very high	97.3	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.011	4%	0.04	C	C	.	.			trans	-82.3	107.3	167.1	-178.3	-19.4	0	0	0	108.1	Y35 R60 T64 V353 E354 Q355	Y35-D351 HydrophobicContact CD1-CB 3.74Å; Y35-D351 VanDerWaalsContact CD1-N 3.32Å; Y35-D351 HydrophobicContact CD2-CB 4.48Å; Y35-D351 HydrophobicContact CE1-CB 3.8Å; Y35-D351 HydrophobicContact CG-CB 4.08Å; R60-D351 IonicContact CZ-OD1 3.45Å; R60-D351 IonicContact NH1-OD1 3.54Å; R60-D351 IonicContact NH2-OD1 2.84Å; R60-D351 PolarHBondContact NH2-OD1 2.78Å; T64-D351 WeakPolarHBondContact CG2-OD2 3.42Å; T64-D351 PolarHBondContact OG1-OD1 2.95Å; T64-D351 PolarHBondContact OG1-OD2 3.41Å; D351-V353 PolarHBondContact OD1-N 3Å; D351-V353 VanDerWaalsContact OD1-N 3.12Å; D351-E354 HydrophobicContact CB-CB 3.69Å; D351-E354 WeakPolarHBondContact O-CB 3.47Å; D351-E354 PolarHBondContact O-N 3.44Å; D351-E354 PolarHBondContact OD1-N 3.47Å; D351-Q355 WeakPolarHBondContact O-CG 3.45Å; D351-Q355 PolarHBondContact O-N 2.9Å; D351-Q355 VanDerWaalsContact O-N 3.07Å
352	L	97.7	Very high	97.1	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.8	-37.3	-174.6	-72.7	170.2	0	0	0	111.7	Q256 L268 L337 H341 T344 E345 L350 E354 Q355 M356	Q256-L352 HydrophobicContact CG-CD1 4.25Å; L268-L352 HydrophobicContact CD1-CD2 3.25Å; L337-L352 HydrophobicContact CD1-CB 4.01Å; L337-L352 HydrophobicContact CD1-CD1 4.36Å; H341-L352 HydrophobicContact CB-CD1 3.77Å; T344-L352 HydrophobicContact CG2-CD1 4.32Å; E345-L352 HydrophobicContact CG-CD1 3.99Å; E345-L352 HydrophobicContact CG-CG 4.07Å; E345-L352 WeakPolarHBondContact OE1-CB 3.06Å; E345-L352 PolarHBondContact OE1-N 3.02Å; L350-L352 PolarHBondContact O-N 3.09Å; L352-E354 VanDerWaalsContact C-N 3.29Å; L352-E354 PolarHBondContact O-N 2.97Å; L352-Q355 PolarHBondContact O-N 3.3Å; L352-M356 WeakPolarHBondContact O-CG 3.44Å; L352-M356 PolarHBondContact O-N 3.44Å
353	V	98.2	Very high	97	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.8	-40.2	174.8	178.4	0	0	0	0	110.2	V61 T64 L337 D351 Q355 M356 I357	V61-V353 HydrophobicContact CB-CG1 4.4Å; V61-V353 HydrophobicContact CG1-CG1 4.16Å; V61-V353 HydrophobicContact CG2-CG1 4.24Å; V61-V353 HydrophobicContact CG2-CG2 4.32Å; T64-V353 HydrophobicContact CG2-CB 4.09Å; T64-V353 HydrophobicContact CG2-CG1 3.9Å; L337-V353 HydrophobicContact CD2-CG2 3.83Å; D351-V353 PolarHBondContact OD1-N 3Å; D351-V353 VanDerWaalsContact OD1-N 3.12Å; V353-Q355 VanDerWaalsContact C-N 3.35Å; V353-Q355 PolarHBondContact O-N 2.97Å; V353-M356 PolarHBondContact O-N 3.33Å; V353-I357 HydrophobicContact CG1-CD1 3.93Å; V353-I357 HydrophobicContact CG1-CG1 4.49Å; V353-I357 VanDerWaalsContact O-CG1 3.31Å; V353-I357 WeakPolarHBondContact O-CG1 3.31Å; V353-I357 PolarHBondContact O-N 3.34Å
354	E	97.2	Very high	96.9	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-47.2	175.3	-177.2	-176.4	163.9	0	0	110.2	T37 T64 K67 M68 D351 L352 M356 I357 R358	T37-E354 PolarHBondContact OG1-OE2 3.19Å; T64-E354 HydrophobicContact CG2-CB 3.9Å; K67-E354 IonicContact NZ-OE2 3.65Å; M68-E354 HydrophobicContact CE-CG 4.05Å; M68-E354 HydrophobicContact SD-CB 4.25Å; M68-E354 HydrophobicContact SD-CG 3.86Å; D351-E354 HydrophobicContact CB-CB 3.69Å; D351-E354 WeakPolarHBondContact O-CB 3.47Å; D351-E354 PolarHBondContact O-N 3.44Å; D351-E354 PolarHBondContact OD1-N 3.47Å; L352-E354 VanDerWaalsContact C-N 3.29Å; L352-E354 PolarHBondContact O-N 2.97Å; E354-M356 PolarHBondContact O-N 3.06Å; E354-I357 PolarHBondContact O-N 2.7Å; E354-R358 VanDerWaalsContact O-CG 3.26Å; E354-R358 WeakPolarHBondContact O-CG 3.16Å; E354-R358 PolarHBondContact O-N 2.86Å
355	Q	96.9	Very high	96.7	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-41.3	177.9	-61.9	-52.5	-63.8	0	0	112.4	L258 D351 L352 V353 I357 R358 V359	L258-Q355 HydrophobicContact CD1-CB 3.93Å; L258-Q355 HydrophobicContact CD2-CB 3.72Å; L258-Q355 HydrophobicContact CD2-CG 3.79Å; L258-Q355 HydrophobicContact CG-CB 4.47Å; D351-Q355 WeakPolarHBondContact O-CG 3.45Å; D351-Q355 PolarHBondContact O-N 2.9Å; D351-Q355 VanDerWaalsContact O-N 3.07Å; L352-Q355 PolarHBondContact O-N 3.3Å; V353-Q355 VanDerWaalsContact C-N 3.35Å; V353-Q355 PolarHBondContact O-N 2.97Å; Q355-I357 PolarHBondContact O-N 3.12Å; Q355-R358 PolarHBondContact O-N 2.84Å; Q355-V359 WeakPolarHBondContact O-CB 3.41Å; Q355-V359 WeakPolarHBondContact O-CG2 3.44Å; Q355-V359 PolarHBondContact O-N 3.04Å
356	M	98	Very high	96.4	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-46.8	176.7	-69	175.4	68.6	0	0	111.3	I147 S314 A315 L337 L352 V353 E354 R358 V359 A360	I147-M356 HydrophobicContact CG2-CB 3.84Å; I147-M356 HydrophobicContact CG2-CE 4.5Å; S314-M356 WeakPolarHBondContact OG-CB 3.23Å; S314-M356 WeakPolarHBondContact OG-CE 3.31Å; S314-M356 VanDerWaalsContact OG-CG 3.27Å; S314-M356 WeakPolarHBondContact OG-CG 3.18Å; A315-M356 HydrophobicContact CB-CG 3.67Å; A315-M356 HydrophobicContact CB-SD 3.73Å; L337-M356 HydrophobicContact CB-CE 4.25Å; L337-M356 HydrophobicContact CB-SD 3.96Å; L337-M356 HydrophobicContact CD1-SD 3.99Å; L337-M356 HydrophobicContact CD2-SD 4.17Å; L337-M356 HydrophobicContact CG-SD 4.27Å; L352-M356 WeakPolarHBondContact O-CG 3.44Å; L352-M356 PolarHBondContact O-N 3.44Å; V353-M356 PolarHBondContact O-N 3.33Å; E354-M356 PolarHBondContact O-N 3.06Å; M356-R358 VanDerWaalsContact C-N 3.34Å; M356-R358 PolarHBondContact O-N 2.91Å; M356-V359 PolarHBondContact O-N 3.42Å; M356-A360 VanDerWaalsContact O-CB 3.31Å; M356-A360 WeakPolarHBondContact O-CB 3.48Å; M356-A360 PolarHBondContact O-N 3.45Å
357	I	97.8	Very high	96.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-43.8	178	-68	165.8	0	0	0	110.8	F46 I49 T64 M68 I70 I147 V353 E354 Q355 A360 K361	F46-I357 HydrophobicContact CD2-CG2 4.01Å; F46-I357 HydrophobicContact CE2-CG2 4.29Å; I49-I357 HydrophobicContact CD1-CD1 4.22Å; I49-I357 HydrophobicContact CD1-CG1 4.18Å; I49-I357 HydrophobicContact CD1-CG2 4.16Å; T64-I357 HydrophobicContact CG2-CD1 4.23Å; M68-I357 HydrophobicContact CE-CB 4.35Å; M68-I357 HydrophobicContact CE-CG2 3.92Å; M68-I357 HydrophobicContact SD-CB 4.36Å; M68-I357 HydrophobicContact SD-CD1 3.86Å; M68-I357 HydrophobicContact SD-CG2 4.25Å; I70-I357 HydrophobicContact CD1-CG2 3.89Å; I147-I357 HydrophobicContact CD1-CG1 4.25Å; I147-I357 HydrophobicContact CG2-CG1 4.47Å; V353-I357 HydrophobicContact CG1-CD1 3.93Å; V353-I357 HydrophobicContact CG1-CG1 4.49Å; V353-I357 VanDerWaalsContact O-CG1 3.31Å; V353-I357 WeakPolarHBondContact O-CG1 3.31Å; V353-I357 PolarHBondContact O-N 3.34Å; E354-I357 PolarHBondContact O-N 2.7Å; Q355-I357 PolarHBondContact O-N 3.12Å; I357-A360 PolarHBondContact O-N 2.86Å; I357-K361 PolarHBondContact O-N 2.85Å
358	R	96.6	Very high	96.1	Very high	14 Å²	14	32.3 Å²	32.3	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-45.5	-179.8	-69.4	177.7	70.4	-167.5	3.4	112.5	E43 M68 E354 Q355 M356 A360 K361 G362 Y363	E43-R358 IonicContact OE1-CZ 3.44Å; E43-R358 IonicContact OE1-NE 2.79Å; E43-R358 PolarHBondContact OE1-NE 2.87Å; E43-R358 IonicContact OE1-NH2 3.19Å; E43-R358 PolarHBondContact OE1-NH2 3.03Å; E43-R358 IonicContact OE2-CZ 3.48Å; E43-R358 IonicContact OE2-NE 3.54Å; E43-R358 IonicContact OE2-NH2 2.78Å; E43-R358 PolarHBondContact OE2-NH2 3.38Å; M68-R358 HydrophobicContact CE-CG 4.12Å; E354-R358 VanDerWaalsContact O-CG 3.26Å; E354-R358 WeakPolarHBondContact O-CG 3.16Å; E354-R358 PolarHBondContact O-N 2.86Å; Q355-R358 PolarHBondContact O-N 2.84Å; M356-R358 VanDerWaalsContact C-N 3.34Å; M356-R358 PolarHBondContact O-N 2.91Å; R358-A360 VanDerWaalsContact C-N 3.3Å; R358-A360 PolarHBondContact O-N 3.45Å; R358-K361 PolarHBondContact O-N 2.65Å; R358-G362 PolarHBondContact O-N 2.79Å; R358-Y363 HydrophobicContact CB-CD2 4.34Å; R358-Y363 WeakPolarHBondContact O-CD2 3.34Å; R358-Y363 PolarHBondContact O-N 3.33Å; R358-Y363 VanDerWaalsContact O-N 3.07Å
359	V	96.7	Very high	96.1	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-43.1	174.6	166.5	0	0	0	0	110.8	A259 D260 Q355 M356 K361 G362 L365	A259-V359 WeakPolarHBondContact O-CG1 3.37Å; D260-V359 HydrophobicContact CB-CG1 4.33Å; D260-V359 HydrophobicContact CB-CG2 4.01Å; Q355-V359 WeakPolarHBondContact O-CB 3.41Å; Q355-V359 WeakPolarHBondContact O-CG2 3.44Å; Q355-V359 PolarHBondContact O-N 3.04Å; M356-V359 PolarHBondContact O-N 3.42Å; V359-K361 VanDerWaalsContact C-N 3.26Å; V359-K361 PolarHBondContact O-N 3.04Å; V359-G362 WeakPolarHBondContact O-CA 3.34Å; V359-G362 PolarHBondContact O-N 3.26Å; V359-L365 HydrophobicContact CG2-CD2 3.7Å
360	A	97	Very high	96.1	Very high	10 Å²	10	41.7 Å²	41.7	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-36.2	177.7	0	0	0	0	0	112.2	F46 T145 I147 M356 I357 R358 G362	F46-A360 HydrophobicContact CE2-CB 4.25Å; F46-A360 HydrophobicContact CZ-CB 4.34Å; T145-A360 HydrophobicContact CG2-CB 3.94Å; I147-A360 HydrophobicContact CB-CB 4.21Å; I147-A360 HydrophobicContact CG1-CB 3.84Å; I147-A360 HydrophobicContact CG2-CB 4.06Å; M356-A360 VanDerWaalsContact O-CB 3.31Å; M356-A360 WeakPolarHBondContact O-CB 3.48Å; M356-A360 PolarHBondContact O-N 3.45Å; I357-A360 PolarHBondContact O-N 2.86Å; R358-A360 VanDerWaalsContact C-N 3.3Å; R358-A360 PolarHBondContact O-N 3.45Å; A360-G362 PolarHBondContact O-N 3.42Å
361	K	95.8	Very high	96.1	Very high	80 Å²	80	45 Å²	45	35%	0.348	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.3	173.8	-163	61.5	173.6	-167.4	0	113.8	T45 F46 I357 R358 V359 Y363	T45-K361 VanDerWaalsContact O-CE 3.3Å; T45-K361 WeakPolarHBondContact O-CE 3.32Å; T45-K361 PolarHBondContact O-NZ 3.35Å; T45-K361 VanDerWaalsContact O-NZ 3.12Å; F46-K361 HydrophobicContact CD1-CD 4.05Å; F46-K361 HydrophobicContact CD2-CD 4.25Å; F46-K361 HydrophobicContact CE1-CD 3.74Å; F46-K361 HydrophobicContact CE2-CB 3.86Å; F46-K361 HydrophobicContact CE2-CD 3.97Å; F46-K361 HydrophobicContact CE2-CG 4.44Å; F46-K361 HydrophobicContact CG-CD 4.3Å; F46-K361 HydrophobicContact CZ-CB 4.03Å; F46-K361 HydrophobicContact CZ-CD 3.7Å; F46-K361 HydrophobicContact CZ-CG 4.48Å; I357-K361 PolarHBondContact O-N 2.85Å; R358-K361 PolarHBondContact O-N 2.65Å; V359-K361 VanDerWaalsContact C-N 3.26Å; V359-K361 PolarHBondContact O-N 3.04Å; K361-Y363 HydrophobicContact CB-CD2 3.9Å; K361-Y363 HydrophobicContact CB-CE2 3.86Å; K361-Y363 HydrophobicContact CG-CD2 4.16Å; K361-Y363 HydrophobicContact CG-CE2 3.6Å
362	G	94.9	Very high	96.1	Very high	32 Å²	32	45.8 Å²	45.8	33%	0.33	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	11	175.6	0	0	0	0	0	114.6	H262 R358 V359 A360	H262-G362 PolarHBondContact NE2-O 3.48Å; R358-G362 PolarHBondContact O-N 2.79Å; V359-G362 WeakPolarHBondContact O-CA 3.34Å; V359-G362 PolarHBondContact O-N 3.26Å; A360-G362 PolarHBondContact O-N 3.42Å
363	Y	95.4	Very high	95.8	Very high	70 Å²	70	47.7 Å²	47.7	28%	0.275	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-74.3	154.4	174.7	-63.9	-72.1	0	0	0	111.9	E43 K44 R358 K361	E43-Y363 HydrophobicContact CG-CD1 4.2Å; E43-Y363 HydrophobicContact CG-CD2 4.1Å; E43-Y363 HydrophobicContact CG-CE1 3.61Å; E43-Y363 HydrophobicContact CG-CE2 3.48Å; E43-Y363 VanDerWaalsContact CG-CE2 3.48Å; E43-Y363 HydrophobicContact CG-CG 4.43Å; E43-Y363 WeakPolarHBondContact CG-OH 3.38Å; E43-Y363 WeakPolarHBondContact OE1-CD2 3.35Å; E43-Y363 VanDerWaalsContact OE1-CE2 3.29Å; E43-Y363 WeakPolarHBondContact OE1-CE2 3.48Å; E43-Y363 VanDerWaalsContact OE1-CG 3.22Å; K44-Y363 PolarHBondContact N-OH 2.94Å; K44-Y363 WeakPolarHBondContact O-CE2 3.46Å; K44-Y363 PolarHBondContact O-OH 2.79Å; R358-Y363 HydrophobicContact CB-CD2 4.34Å; R358-Y363 WeakPolarHBondContact O-CD2 3.34Å; R358-Y363 PolarHBondContact O-N 3.33Å; R358-Y363 VanDerWaalsContact O-N 3.07Å; K361-Y363 HydrophobicContact CB-CD2 3.9Å; K361-Y363 HydrophobicContact CB-CE2 3.86Å; K361-Y363 HydrophobicContact CG-CD2 4.16Å; K361-Y363 HydrophobicContact CG-CE2 3.6Å
364	R	96.1	Very high	95.7	Very high	167 Å²	167	51.1 Å²	51.1	63%	0.63	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-81.1	153.6	172.1	-71.4	178.8	178.4	-175.1	-0.6	110.4	D260 H262 Q366	D260-R364 VanDerWaalsContact OD2-CA 3.25Å; D260-R364 WeakPolarHBondContact OD2-CA 3.35Å; H262-R364 HydrophobicContact CB-CG 4.02Å; H262-R364 WeakPolarHBondContact CD2-CG 3.27Å; H262-R364 VanDerWaalsContact CG-CG 3.49Å; H262-R364 PolarHBondContact ND1-NE 3.32Å; R364-Q366 PolarHBondContact O-N 2.84Å
365	L	94.9	Very high	95.6	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.105	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-59.2	130.7	168.8	-57	-177.1	0	0	0	109.7	L258 D260 N264 L266 V359	L258-L365 HydrophobicContact CD2-CD2 3.91Å; L258-L365 HydrophobicContact CG-CD1 4.43Å; L258-L365 HydrophobicContact CG-CD2 3.85Å; L258-L365 WeakPolarHBondContact O-CD1 3.16Å; D260-L365 HydrophobicContact CB-CD2 4.18Å; D260-L365 HydrophobicContact CB-CG 3.92Å; D260-L365 PolarHBondContact OD2-N 2.93Å; N264-L365 HydrophobicContact CB-CD1 4.25Å; L266-L365 HydrophobicContact CD1-CB 4.46Å; L266-L365 HydrophobicContact CD1-CD1 3.83Å; L266-L365 HydrophobicContact CG-CD1 3.77Å; V359-L365 HydrophobicContact CG2-CD2 3.7Å
366	Q	91.7	Very high	95.6	Very high	99 Å²	99	56.8 Å²	56.8	46%	0.463	28%	0.279	S	S	.	.	S	Bend	trans	-78.9	-27.1	177.7	-75.6	-177	-37.6	0	0	112.9	R364	R364-Q366 PolarHBondContact O-N 2.84Å
367	H	93.8	Very high	95.6	Very high	41 Å²	41	59.1 Å²	59.1	19%	0.19	29%	0.288	C	S	.	.			trans	-93.3	148.8	-177.9	-58.2	91.2	0	0	0	110.4	L266 L350 D371 I372	L266-H367 HydrophobicContact CD1-CB 4.13Å; L266-H367 WeakPolarHBondContact CD1-O 3.39Å; L350-H367 VanDerWaalsContact CD2-CE1 3.4Å; L350-H367 WeakPolarHBondContact CD2-CE1 3.33Å; H367-D371 HydrophobicContact CB-CB 4.34Å; H367-I372 HydrophobicContact CB-CD1 3.91Å
368	Q	95.4	Very high	95.7	Very high	114 Å²	114	59 Å²	59	53%	0.533	29%	0.288	S	S	.	.			trans	-102.4	167.5	163.5	-58.5	176.6	28.4	0	0	109	K370 D371	Q368-K370 HydrophobicContact CB-CG 4.17Å; Q368-K370 PolarHBondContact O-N 3.01Å; Q368-K370 VanDerWaalsContact O-N 3.16Å; Q368-D371 WeakPolarHBondContact CA-OD2 3.24Å; Q368-D371 WeakPolarHBondContact CB-OD2 3.32Å; Q368-D371 PolarHBondContact N-OD2 2.76Å; Q368-D371 WeakPolarHBondContact O-CB 3.31Å; Q368-D371 PolarHBondContact O-N 3.1Å
369	Q	96.8	Very high	95.8	Very high	47 Å²	47	58.4 Å²	58.4	22%	0.22	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-58.9	-34.1	-176.5	-171	59.4	54.6	0	0	113.5	L266 W267 D371 I372	L266-Q369 HydrophobicContact CD2-CB 4.12Å; W267-Q369 HydrophobicContact CD2-CG 4.19Å; W267-Q369 VanDerWaalsContact CD2-NE2 3.34Å; W267-Q369 VanDerWaalsContact CD2-OE1 3.28Å; W267-Q369 VanDerWaalsContact CE2-CD 3.41Å; W267-Q369 HydrophobicContact CE3-CG 3.93Å; W267-Q369 HydrophobicContact CH2-CG 3.32Å; W267-Q369 HydrophobicContact CZ2-CG 3.57Å; W267-Q369 VanDerWaalsContact CZ3-CD 3.44Å; W267-Q369 HydrophobicContact CZ3-CG 3.5Å; W267-Q369 VanDerWaalsContact CZ3-CG 3.5Å; W267-Q369 PolarHBondContact O-NE2 3.02Å; Q369-D371 PolarHBondContact O-N 3.06Å; Q369-I372 PolarHBondContact O-N 2.87Å
370	K	95.5	Very high	95.9	Very high	163 Å²	163	58.2 Å²	58.2	71%	0.709	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-68.1	-17.6	176.5	65.2	176	-175.7	180	0	113.9	Q368	Q368-K370 HydrophobicContact CB-CG 4.17Å; Q368-K370 PolarHBondContact O-N 3.01Å; Q368-K370 VanDerWaalsContact O-N 3.16Å
371	D	94.9	Very high	96	Very high	72 Å²	72	57.7 Å²	57.7	39%	0.385	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-91	-6	-177.5	-51.2	-42.6	0	0	0	111.6	H367 Q368 Q369 P373	H367-D371 HydrophobicContact CB-CB 4.34Å; Q368-D371 WeakPolarHBondContact CA-OD2 3.24Å; Q368-D371 WeakPolarHBondContact CB-OD2 3.32Å; Q368-D371 PolarHBondContact N-OD2 2.76Å; Q368-D371 WeakPolarHBondContact O-CB 3.31Å; Q368-D371 PolarHBondContact O-N 3.1Å; Q369-D371 PolarHBondContact O-N 3.06Å; D371-P373 VanDerWaalsContact O-CD 3.27Å; D371-P373 WeakPolarHBondContact O-CD 3.44Å
372	I	96.4	Very high	96.1	Very high	18 Å²	18	54.6 Å²	54.6	9%	0.092	27%	0.266	C	S	.	.			trans	-85	111.3	-178.8	-54.5	-51.3	0	0	0	109.5	L266 L268 T348 L350 H367 Q369	L266-I372 HydrophobicContact CD1-CD1 4.26Å; L268-I372 HydrophobicContact CD2-CD1 3.59Å; L268-I372 HydrophobicContact CD2-CG1 3.93Å; L268-I372 HydrophobicContact CD2-CG2 3.99Å; T348-I372 HydrophobicContact CG2-CG2 4.16Å; L350-I372 HydrophobicContact CD1-CD1 3.95Å; H367-I372 HydrophobicContact CB-CD1 3.91Å; Q369-I372 PolarHBondContact O-N 2.87Å
373	P	92.5	Very high	96.2	Very high	40 Å²	40	53 Å²	53	26%	0.26	25%	0.25	S	S	.	.			trans	-87.9	169.7	-177.2	36.7	-34.5	0	0	0	112.1	N269 T348 D371 N375	N269-P373 PolarHBondContact ND2-O 2.79Å; T348-P373 WeakPolarHBondContact O-CG 3.23Å; D371-P373 VanDerWaalsContact O-CD 3.27Å; D371-P373 WeakPolarHBondContact O-CD 3.44Å; P373-N375 WeakPolarHBondContact CG-ND2 3.44Å
374	I	95.4	Very high	96.3	Very high	73 Å²	73	49.9 Å²	49.9	37%	0.374	24%	0.238	S	C	.	.			trans	-119.8	95.9	159	-61.7	172.5	0	0	0	106.1	N269 P287	N269-I374 HydrophobicContact CB-CG1 4.43Å; N269-I374 VanDerWaalsContact CG-CG1 3.48Å; N269-I374 WeakPolarHBondContact ND2-CG1 3.18Å; N269-I374 WeakPolarHBondContact OD1-CG1 3.25Å; P287-I374 HydrophobicContact CG-CG2 3.96Å
375	N	95.4	Very high	96.1	Very high	100 Å²	100	42 Å²	42	54%	0.535	21%	0.208	S	C	.	.			trans	-98.1	91.3	-179.2	-60.5	-48.4	0	0	0	110.4	I347 P373	I347-N375 WeakPolarHBondContact O-CB 3.37Å; I347-N375 PolarHBondContact O-N 3.35Å; I347-N375 PolarHBondContact O-ND2 2.94Å; P373-N375 WeakPolarHBondContact CG-ND2 3.44Å
376	G	96.9	Very high	95.9	Very high	23 Å²	23	41.4 Å²	41.4	24%	0.237	21%	0.205	C	C	.	.	S	Bend	trans	74.1	-143.6	176.9	0	0	0	0	0	113.2	G439	G376-G439 CarbonylContact C-O 3.44Å; G376-G439 VanDerWaalsContact CA-O 3.25Å; G376-G439 WeakPolarHBondContact CA-O 3.47Å
377	W	98.6	Very high	95.7	Very high	53 Å²	53	37.6 Å²	37.6	20%	0.201	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.4	-175.5	-135.7	-81.5	0	0	0	111	E285 A286 P287 T289 Y438 G439 R442 A445	E285-W377 PolarHBondContact OE2-NE1 3.18Å; A286-W377 WeakPolarHBondContact O-CA 3.38Å; P287-W377 HydrophobicContact CG-CD2 4.05Å; P287-W377 HydrophobicContact CG-CE3 3.88Å; P287-W377 HydrophobicContact CG-CH2 3.75Å; P287-W377 HydrophobicContact CG-CZ2 3.9Å; P287-W377 HydrophobicContact CG-CZ3 3.74Å; P287-W377 VanDerWaalsContact O-CE2 3.24Å; P287-W377 WeakPolarHBondContact O-CZ2 3.41Å; P287-W377 PolarHBondContact O-NE1 3.2Å; T289-W377 HydrophobicContact CG2-CH2 4.25Å; T289-W377 HydrophobicContact CG2-CZ2 3.61Å; W377-Y438 CarbonylContact O-C 3.45Å; W377-Y438 WeakPolarHBondContact O-CA 3.46Å; W377-Y438 WeakPolarHBondContact O-CB 3.5Å; W377-G439 PolarHBondContact N-O 3.43Å; W377-G439 PolarHBondContact O-N 2.95Å; W377-R442 HydrophobicContact CB-CB 4.24Å; W377-R442 HydrophobicContact CD2-CB 3.66Å; W377-R442 HydrophobicContact CD2-CG 4.1Å; W377-R442 HydrophobicContact CE3-CB 4.07Å; W377-R442 HydrophobicContact CG-CB 3.74Å; W377-R442 HydrophobicContact CG-CG 4.02Å; W377-A445 HydrophobicContact CB-CB 4.44Å
378	A	98.8	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.6	173.8	0	0	0	0	0	110.9	E285 A286 I343 C346 I347 T437	E285-A378 WeakPolarHBondContact CA-O 3.48Å; A286-A378 PolarHBondContact N-O 3.44Å; A286-A378 PolarHBondContact O-N 3.41Å; I343-A378 HydrophobicContact CB-CB 3.88Å; I343-A378 HydrophobicContact CG2-CB 3.79Å; C346-A378 HydrophobicContact CB-CB 3.69Å; I347-A378 HydrophobicContact CG2-CB 3.95Å; A378-T437 CarbonylContact C-O 3.58Å; A378-T437 VanDerWaalsContact CA-O 3.28Å; A378-T437 WeakPolarHBondContact CA-O 3.02Å
379	I	98.8	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.3	179.6	-56.8	179.9	0	0	0	107.9	V283 E284 E285 V436 T437 A445 L446 M449 I472	V283-I379 HydrophobicContact CG1-CG2 4Å; E284-I379 CarbonylContact O-C 3.47Å; E284-I379 WeakPolarHBondContact O-CA 3.43Å; E285-I379 HydrophobicContact CB-CG1 4.15Å; I379-V436 CarbonylContact O-C 3.15Å; I379-V436 VanDerWaalsContact O-CA 3.31Å; I379-V436 WeakPolarHBondContact O-CA 3.34Å; I379-T437 PolarHBondContact N-O 2.89Å; I379-T437 PolarHBondContact O-N 3.5Å; I379-A445 HydrophobicContact CD1-CB 4.09Å; I379-A445 HydrophobicContact CG1-CB 4.13Å; I379-L446 HydrophobicContact CD1-CB 4.4Å; I379-L446 HydrophobicContact CD1-CD2 3.27Å; I379-L446 HydrophobicContact CD1-CG 3.55Å; I379-M449 HydrophobicContact CB-CE 4.14Å; I379-M449 HydrophobicContact CG2-CE 3.89Å; I379-M449 WeakPolarHBondContact O-CE 3.34Å; I379-I472 HydrophobicContact CG2-CD1 3.98Å
380	E	98.9	Very high	94.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.8	174.2	-176.2	169.7	114.8	0	0	109.5	V283 E284 E340 P342 I343 K434 L435 V436	V283-E380 WeakPolarHBondContact CA-O 3.31Å; E284-E380 HydrophobicContact CB-CB 4.46Å; E284-E380 PolarHBondContact N-O 3.25Å; E284-E380 PolarHBondContact O-N 2.81Å; E340-E380 VanDerWaalsContact CA-OE1 3.27Å; E340-E380 WeakPolarHBondContact CA-OE1 3.22Å; P342-E380 WeakPolarHBondContact CB-OE2 3.38Å; P342-E380 WeakPolarHBondContact CD-OE2 3.3Å; P342-E380 WeakPolarHBondContact CG-OE2 3.41Å; I343-E380 HydrophobicContact CG2-CB 3.62Å; E380-K434 HydrophobicContact CG-CB 4.11Å; E380-K434 WeakPolarHBondContact OE1-CD 3.24Å; E380-L435 CarbonylContact C-O 3.55Å; E380-L435 WeakPolarHBondContact CA-O 3.28Å; E380-V436 HydrophobicContact CB-CG2 4.13Å; E380-V436 HydrophobicContact CG-CG2 3.88Å; E380-V436 WeakPolarHBondContact OE2-CG2 3.15Å
381	S	98.6	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.7	167.1	-66.9	0	0	0	0	108.7	V383 L435 M449	S381-V383 PolarHBondContact O-N 3.42Å; S381-L435 PolarHBondContact N-O 2.96Å; S381-L435 PolarHBondContact O-N 3Å; S381-M449 PolarHBondContact OG-SD 3.16Å
382	R	98.1	Very high	91.9	Very high	14 Å²	14	30.4 Å²	30.4	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	110	170.7	-60.6	-166	-167.2	-166.4	-1.9	110	K281 V282 E284 E340 Y384 M431 N464	K281-R382 WeakPolarHBondContact O-CD 3.18Å; V282-R382 PolarHBondContact O-N 2.86Å; E284-R382 IonicContact OE1-CZ 3.94Å; E284-R382 IonicContact OE1-NE 3.73Å; E284-R382 PolarHBondContact OE1-NE 2.81Å; E284-R382 IonicContact OE1-NH2 3.83Å; E284-R382 PolarHBondContact OE1-NH2 3.48Å; E340-R382 IonicContact OE1-NH2 2.65Å; E340-R382 IonicContact OE2-NH2 3.78Å; E340-R382 PolarHBondContact OE2-NH2 2.82Å; R382-Y384 HydrophobicContact CB-CD2 3.9Å; R382-Y384 HydrophobicContact CB-CE2 3.45Å; R382-Y384 VanDerWaalsContact CB-CE2 3.45Å; R382-Y384 HydrophobicContact CG-CE2 4.32Å; R382-Y384 PolarHBondContact O-N 2.7Å; R382-M431 HydrophobicContact CB-SD 4.41Å; R382-M431 HydrophobicContact CG-SD 4.31Å; R382-N464 PolarHBondContact O-ND2 3.22Å
383	V	97.9	Very high	90.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.9	176.5	-175.3	0	0	0	0	108.2	S381 I432 S433 L435 Y456 I458 N464 I465 L468	S381-V383 PolarHBondContact O-N 3.42Å; V383-I432 HydrophobicContact CG1-CB 4.22Å; V383-I432 HydrophobicContact CG1-CD1 4.4Å; V383-I432 HydrophobicContact CG1-CG2 4.27Å; V383-I432 WeakPolarHBondContact O-CB 3.47Å; V383-I432 PolarHBondContact O-N 2.91Å; V383-S433 PolarHBondContact N-O 3.07Å; V383-S433 PolarHBondContact O-N 3.23Å; V383-L435 HydrophobicContact CG2-CB 4.12Å; V383-Y456 HydrophobicContact CB-CE1 4.47Å; V383-Y456 HydrophobicContact CG1-CE1 4.43Å; V383-Y456 HydrophobicContact CG2-CD1 4.26Å; V383-Y456 HydrophobicContact CG2-CE1 3.84Å; V383-I458 HydrophobicContact CG1-CD1 3.6Å; V383-N464 WeakPolarHBondContact CA-OD1 3.29Å; V383-I465 HydrophobicContact CG1-CD1 4.4Å; V383-I465 HydrophobicContact CG1-CG1 4.13Å; V383-L468 HydrophobicContact CG2-CD1 4.09Å
384	Y	95.9	Very high	89.9	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.1	-177.6	-80.6	-70	0	0	0	110.9	Q280 R382 E386 D429 P430 M431 H463 N464	Q280-Y384 HydrophobicContact CG-CE2 4.48Å; Q280-Y384 PolarHBondContact NE2-OH 3.07Å; R382-Y384 HydrophobicContact CB-CD2 3.9Å; R382-Y384 HydrophobicContact CB-CE2 3.45Å; R382-Y384 VanDerWaalsContact CB-CE2 3.45Å; R382-Y384 HydrophobicContact CG-CE2 4.32Å; R382-Y384 PolarHBondContact O-N 2.7Å; Y384-E386 PolarHBondContact O-N 2.66Å; Y384-D429 WeakPolarHBondContact CE1-OD1 3.42Å; Y384-P430 VanDerWaalsContact CD1-C 3.48Å; Y384-P430 HydrophobicContact CD1-CB 3.96Å; Y384-P430 HydrophobicContact CD1-CG 3.72Å; Y384-P430 HydrophobicContact CE1-CG 4.1Å; Y384-M431 VanDerWaalsContact CD1-CA 3.46Å; Y384-M431 HydrophobicContact CD1-CB 3.9Å; Y384-M431 VanDerWaalsContact CD1-N 3.3Å; Y384-M431 HydrophobicContact CE1-CB 3.47Å; Y384-M431 VanDerWaalsContact CE1-CB 3.47Å; Y384-M431 HydrophobicContact CE1-CG 4.13Å; Y384-H463 VanDerWaalsContact O-CA 3.22Å; Y384-H463 WeakPolarHBondContact O-CA 3.17Å; Y384-H463 WeakPolarHBondContact O-CB 3.27Å; Y384-N464 PolarHBondContact N-OD1 3.05Å; Y384-N464 PolarHBondContact O-N 2.71Å; Y384-N464 VanDerWaalsContact O-N 3.08Å; Y384-N464 PolarHBondContact O-OD1 3.35Å
385	A	93.4	Very high	89.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-73.3	72.7	162	0	0	0	0	0	108.8	S396 I424 P430 I432 V461 T462	A385-S396 WeakPolarHBondContact CB-O 3.17Å; A385-S396 PolarHBondContact O-N 3.35Å; A385-I424 HydrophobicContact CB-CG1 4.37Å; A385-I424 HydrophobicContact CB-CG2 3.93Å; A385-P430 HydrophobicContact CB-CB 4.33Å; A385-P430 PolarHBondContact N-O 2.91Å; A385-I432 HydrophobicContact CB-CD1 3.88Å; A385-I432 HydrophobicContact CB-CG1 4.01Å; A385-V461 HydrophobicContact CB-CG2 4.23Å; A385-T462 CarbonylContact C-O 3.51Å; A385-T462 WeakPolarHBondContact CA-O 3.34Å
386	E	90.1	Very high	88.8	Confident	9 Å²	9	21.1 Å²	21.1	4%	0.042	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.7	-176.6	-79.8	-175.2	165.1	0	0	109.8	R277 Y384 P388 L394 P430 T462 H463 N464	R277-E386 IonicContact CZ-OE1 3.19Å; R277-E386 IonicContact CZ-OE2 2.8Å; R277-E386 IonicContact NE-OE2 2.75Å; R277-E386 IonicContact NH2-OE1 2.68Å; R277-E386 PolarHBondContact NH2-OE1 2.94Å; R277-E386 IonicContact NH2-OE2 3.25Å; R277-E386 PolarHBondContact NH2-OE2 2.8Å; Y384-E386 PolarHBondContact O-N 2.66Å; E386-P388 VanDerWaalsContact O-CD 3.25Å; E386-P388 WeakPolarHBondContact O-CD 3.31Å; E386-L394 CarbonylContact C-O 3.55Å; E386-L394 WeakPolarHBondContact CA-O 3.42Å; E386-P430 HydrophobicContact CG-CB 4.41Å; E386-P430 HydrophobicContact CG-CG 4.35Å; E386-T462 PolarHBondContact N-O 3.41Å; E386-H463 CarbonylContact O-C 3.57Å; E386-H463 WeakPolarHBondContact O-CA 3.33Å; E386-H463 PolarHBondContact O-N 2.85Å; E386-N464 PolarHBondContact O-N 2.69Å
387	D	88.3	Confident	88.2	Confident	18 Å²	18	22.5 Å²	22.5	10%	0.096	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	103.5	175.8	-172.4	-15.5	0	0	0	111	Y389 K390 G393 L394 T462	D387-Y389 PolarHBondContact O-N 2.87Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.2Å; D387-Y389 WeakPolarHBondContact OD1-CD2 3.33Å; D387-Y389 PolarHBondContact OD1-N 2.91Å; D387-K390 HydrophobicContact CB-CB 4.38Å; D387-K390 PolarHBondContact O-N 3.12Å; D387-K390 VanDerWaalsContact O-O 3.06Å; D387-K390 VanDerWaalsContact OD2-CD 3.25Å; D387-K390 WeakPolarHBondContact OD2-CD 3.19Å; D387-K390 VanDerWaalsContact OD2-CE 3.24Å; D387-K390 WeakPolarHBondContact OD2-CE 3.3Å; D387-K390 WeakPolarHBondContact OD2-CG 3.47Å; D387-K390 IonicContact OD2-NZ 3.26Å; D387-G393 WeakPolarHBondContact O-CA 3.21Å; D387-G393 PolarHBondContact O-N 3.28Å; D387-L394 PolarHBondContact N-O 2.84Å; D387-T462 HydrophobicContact CB-CG2 3.65Å
388	P	89.4	Confident	87.6	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.013	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.4	-177.6	29.9	-35.6	0	0	0	112.8	E386 K390 L467 F495	E386-P388 VanDerWaalsContact O-CD 3.25Å; E386-P388 WeakPolarHBondContact O-CD 3.31Å; P388-K390 VanDerWaalsContact C-N 3.31Å; P388-L467 HydrophobicContact CB-CB 3.71Å; P388-L467 HydrophobicContact CB-CD2 4.16Å; P388-L467 HydrophobicContact CG-CB 4.3Å; P388-F495 HydrophobicContact CB-CD1 3.69Å; P388-F495 HydrophobicContact CB-CE1 4.24Å; P388-F495 HydrophobicContact CB-CG 4.38Å; P388-F495 HydrophobicContact CG-CD1 3.94Å; P388-F495 HydrophobicContact CG-CE1 4.07Å
389	Y	85.7	Confident	87.2	Confident	91 Å²	91	28.6 Å²	28.6	36%	0.357	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-19.4	-179.8	-57.8	-87.4	0	0	0	112.5	D387 P466 F495	D387-Y389 PolarHBondContact O-N 2.87Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.2Å; D387-Y389 WeakPolarHBondContact OD1-CD2 3.33Å; D387-Y389 PolarHBondContact OD1-N 2.91Å; Y389-P466 HydrophobicContact CE2-CB 4.46Å; Y389-P466 HydrophobicContact CE2-CG 4.34Å; Y389-F495 HydrophobicContact CD1-CD1 4.08Å; Y389-F495 HydrophobicContact CD1-CE1 4.32Å; Y389-F495 AromaticContact CE1-CD1 3.99Å; Y389-F495 HydrophobicContact CE1-CD1 3.99Å; Y389-F495 AromaticContact CE1-CE1 3.78Å; Y389-F495 HydrophobicContact CE1-CE1 3.78Å; Y389-F495 HydrophobicContact CE2-CE1 4.23Å; Y389-F495 HydrophobicContact CG-CD1 4.44Å; Y389-F495 AromaticContact CZ-CE1 3.71Å
390	K	79.6	Confident	87	Confident	81 Å²	81	28.6 Å²	28.6	35%	0.352	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	110.9	177.8	-60.1	178.9	-170.9	170.4	0	110.3	D387 P388 F392 G393 L394 E703	D387-K390 HydrophobicContact CB-CB 4.38Å; D387-K390 PolarHBondContact O-N 3.12Å; D387-K390 VanDerWaalsContact O-O 3.06Å; D387-K390 VanDerWaalsContact OD2-CD 3.25Å; D387-K390 WeakPolarHBondContact OD2-CD 3.19Å; D387-K390 VanDerWaalsContact OD2-CE 3.24Å; D387-K390 WeakPolarHBondContact OD2-CE 3.3Å; D387-K390 WeakPolarHBondContact OD2-CG 3.47Å; D387-K390 IonicContact OD2-NZ 3.26Å; P388-K390 VanDerWaalsContact C-N 3.31Å; K390-F392 PolarHBondContact O-N 3.13Å; K390-G393 PolarHBondContact O-N 3.12Å; K390-L394 HydrophobicContact CB-CB 4.38Å; K390-L394 HydrophobicContact CB-CD1 3.61Å; K390-L394 HydrophobicContact CB-CG 4Å; K390-L394 HydrophobicContact CD-CD1 4.08Å; K390-L394 HydrophobicContact CG-CD1 4.48Å; K390-L394 PolarHBondContact O-N 2.97Å; K390-E703 IonicContact NZ-OE1 3.75Å; K390-E703 PolarHBondContact NZ-OE1 3.06Å
391	S	70.5	Confident	86.8	Confident	75 Å²	75	32.5 Å²	32.5	52%	0.524	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	32.7	174.9	-59.4	0	0	0	0	114.4	G393	S391-G393 PolarHBondContact O-N 2.68Å
392	F	71.3	Confident	86.6	Confident	38 Å²	38	35.1 Å²	35.1	17%	0.167	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	36.6	-174.4	-76.8	-77.1	0	0	0	115.1	R277 K390 Y491 F495	R277-F392 WeakPolarHBondContact CD-O 3.24Å; R277-F392 HydrophobicContact CG-CB 4.32Å; R277-F392 PolarHBondContact NE-O 2.95Å; R277-F392 PolarHBondContact NH1-O 3.29Å; K390-F392 PolarHBondContact O-N 3.13Å; F392-Y491 HydrophobicContact CE1-CD2 4.24Å; F392-Y491 HydrophobicContact CE1-CG 4.2Å; F392-Y491 WeakPolarHBondContact CE2-O 3.33Å; F392-Y491 HydrophobicContact CZ-CG 4.3Å; F392-Y491 WeakPolarHBondContact CZ-O 3.43Å; F392-F495 HydrophobicContact CD1-CB 4.19Å; F392-F495 HydrophobicContact CE1-CB 3.7Å; F392-F495 HydrophobicContact CZ-CB 4.44Å; F392-F495 VanDerWaalsContact CZ-N 3.27Å
393	G	68.4	Low	86.6	Confident	3 Å²	3	35.3 Å²	35.3	3%	0.031	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	118	58.5	174.5	0	0	0	0	0	112.2	R277 D387 K390 S391	R277-G393 VanDerWaalsContact NH1-C 3.34Å; R277-G393 PolarHBondContact NH1-O 3.22Å; D387-G393 WeakPolarHBondContact O-CA 3.21Å; D387-G393 PolarHBondContact O-N 3.28Å; K390-G393 PolarHBondContact O-N 3.12Å; S391-G393 PolarHBondContact O-N 2.68Å
394	L	78.8	Confident	86.6	Confident	15 Å²	15	38.6 Å²	38.6	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130.2	158	-70.8	-179.6	0	0	0	108.3	E386 D387 K390 P648 M649	E386-L394 CarbonylContact C-O 3.55Å; E386-L394 WeakPolarHBondContact CA-O 3.42Å; D387-L394 PolarHBondContact N-O 2.84Å; K390-L394 HydrophobicContact CB-CB 4.38Å; K390-L394 HydrophobicContact CB-CD1 3.61Å; K390-L394 HydrophobicContact CB-CG 4Å; K390-L394 HydrophobicContact CD-CD1 4.08Å; K390-L394 HydrophobicContact CG-CD1 4.48Å; K390-L394 PolarHBondContact O-N 2.97Å; L394-P648 HydrophobicContact CD1-CB 4.12Å; L394-M649 HydrophobicContact CD2-SD 3.74Å
395	P	82.4	Confident	86.7	Confident	7 Å²	7	40.6 Å²	40.6	5%	0.045	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	141.7	179.2	-19.6	29	0	0	0	112.4	M649 M676	P395-M649 HydrophobicContact CG-CE 4.05Å; P395-M676 HydrophobicContact CB-CB 4.47Å; P395-M676 HydrophobicContact CB-CG 4.13Å; P395-M676 HydrophobicContact CB-SD 3.35Å; P395-M676 WeakPolarHBondContact CB-SD 3.39Å; P395-M676 HydrophobicContact CG-CB 4.5Å; P395-M676 HydrophobicContact CG-SD 4.33Å
396	S	83.9	Confident	86.8	Confident	11 Å²	11	40.7 Å²	40.7	8%	0.077	21%	0.207	C	C	.	.			trans	-111.8	135.1	175.7	-169.7	0	0	0	0	109	A385 T462	A385-S396 WeakPolarHBondContact CB-O 3.17Å; A385-S396 PolarHBondContact O-N 3.35Å; S396-T462 WeakPolarHBondContact CB-O 3.22Å; S396-T462 PolarHBondContact OG-N 3.48Å
397	I	85.1	Confident	87	Confident	52 Å²	52	44.9 Å²	44.9	27%	0.267	23%	0.229	S	C	.	.			trans	-120.3	160.1	175.9	61.3	146.4	0	0	0	109.7	I424 I426 P650 M676	I397-I424 WeakPolarHBondContact CB-O 3.34Å; I397-I426 HydrophobicContact CD1-CG2 3.72Å; I397-I426 HydrophobicContact CG1-CG2 4.46Å; I397-I426 HydrophobicContact CG2-CG2 3.91Å; I397-P650 HydrophobicContact CD1-CB 3.33Å; I397-P650 HydrophobicContact CD1-CG 3.51Å; I397-P650 HydrophobicContact CG1-CB 3.69Å; I397-P650 HydrophobicContact CG1-CG 3.41Å; I397-P650 VanDerWaalsContact CG1-CG 3.41Å; I397-M676 HydrophobicContact CG2-SD 4.17Å
398	G	86.3	Confident	87.2	Confident	25 Å²	25	50 Å²	50	26%	0.258	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	138.8	-176.3	176.6	0	0	0	0	0	112.5	I424	G398-I424 PolarHBondContact N-O 2.82Å; G398-I424 VanDerWaalsContact N-O 3.13Å; G398-I424 PolarHBondContact O-N 3.39Å
399	R	89.6	Confident	87.4	Confident	156 Å²	156	51.8 Å²	51.8	59%	0.589	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.8	-177.5	-167	168.8	-177.2	-175	-3.7	110.8	S401 G421 S422 D423 G460	R399-S401 PolarHBondContact O-N 3.14Å; R399-S401 VanDerWaalsContact O-N 3.14Å; R399-G421 PolarHBondContact NE-O 2.82Å; R399-S422 WeakPolarHBondContact CA-O 3.44Å; R399-D423 VanDerWaalsContact CB-OD1 3.28Å; R399-D423 WeakPolarHBondContact CB-OD1 3.24Å; R399-G460 WeakPolarHBondContact O-CA 3.46Å
400	L	94.9	Very high	87.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.			trans	-72.4	104	171.4	-60.1	177.2	0	0	0	109.2	Y403 I418 G421 S422 I424 I458 R459 V461	L400-Y403 HydrophobicContact CD1-CD2 4.27Å; L400-Y403 HydrophobicContact CD1-CG 4.43Å; L400-I418 HydrophobicContact CD1-CB 4.29Å; L400-I418 HydrophobicContact CD1-CD1 3.3Å; L400-I418 HydrophobicContact CD1-CG1 4.4Å; L400-G421 WeakPolarHBondContact O-CA 3.43Å; L400-G421 PolarHBondContact O-N 2.85Å; L400-S422 PolarHBondContact N-O 2.87Å; L400-I424 HydrophobicContact CD2-CG1 4.39Å; L400-I424 HydrophobicContact CG-CG1 4.5Å; L400-I458 HydrophobicContact CD2-CG2 4.07Å; L400-R459 CarbonylContact C-O 3.54Å; L400-R459 VanDerWaalsContact CA-O 3.3Å; L400-R459 WeakPolarHBondContact CA-O 3.39Å; L400-V461 HydrophobicContact CD2-CG1 4.29Å; L400-V461 HydrophobicContact CD2-CG2 3.58Å
401	S	94.3	Very high	88.5	Confident	81 Å²	81	50.6 Å²	50.6	57%	0.566	28%	0.275	S	S	*	.	S	Bend	trans	-77.1	-28.2	-178	63.3	0	0	0	0	112.8	R399 R459 G460	R399-S401 PolarHBondContact O-N 3.14Å; R399-S401 VanDerWaalsContact O-N 3.14Å; S401-R459 PolarHBondContact N-O 3.25Å; S401-R459 VanDerWaalsContact OG-CB 3.22Å; S401-R459 WeakPolarHBondContact OG-CB 3.21Å; S401-G460 PolarHBondContact OG-N 3.26Å
402	E	95.8	Very high	89.8	Confident	55 Å²	55	47.8 Å²	47.8	26%	0.257	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	134.1	175.1	-173	173.4	-155.9	0	0	107.7	Q404 E420 V457 R459 P584	E402-Q404 PolarHBondContact OE1-NE2 3.3Å; E402-Q404 VanDerWaalsContact OE1-NE2 3.12Å; E402-E420 WeakPolarHBondContact CA-OE2 3.43Å; E402-V457 HydrophobicContact CG-CG1 3.99Å; E402-R459 HydrophobicContact CB-CB 3.87Å; E402-R459 HydrophobicContact CB-CG 3.8Å; E402-R459 PolarHBondContact O-N 3.31Å; E402-P584 VanDerWaalsContact OE1-CG 3.29Å; E402-P584 WeakPolarHBondContact OE1-CG 3.34Å
403	Y	97.4	Very high	91.1	Very high	18 Å²	18	46.8 Å²	46.8	7%	0.071	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	113.3	-177.9	179.3	-102.6	0	0	0	110.5	L400 E405 I418 E420 I432 Y456 V457 I458	L400-Y403 HydrophobicContact CD1-CD2 4.27Å; L400-Y403 HydrophobicContact CD1-CG 4.43Å; Y403-E405 HydrophobicContact CD1-CG 4.47Å; Y403-E405 HydrophobicContact CE1-CG 3.57Å; Y403-E405 WeakPolarHBondContact CE1-OE1 3.28Å; Y403-E405 WeakPolarHBondContact OH-CG 3.36Å; Y403-E405 PolarHBondContact OH-OE1 3.09Å; Y403-I418 HydrophobicContact CD2-CD1 4.02Å; Y403-I418 HydrophobicContact CE1-CD1 4.05Å; Y403-I418 HydrophobicContact CE2-CD1 3.5Å; Y403-I418 VanDerWaalsContact CE2-CD1 3.5Å; Y403-I418 HydrophobicContact CG-CD1 4.49Å; Y403-E420 PolarHBondContact N-OE2 3.04Å; Y403-I432 HydrophobicContact CE2-CG2 3.75Å; Y403-Y456 HydrophobicContact CD2-CE2 4.27Å; Y403-Y456 AromaticContact CE2-CE2 3.55Å; Y403-Y456 HydrophobicContact CE2-CE2 3.55Å; Y403-Y456 AromaticContact CE2-CZ 3.97Å; Y403-Y456 AromaticContact CZ-CE2 3.94Å; Y403-Y456 PolarHBondContact OH-OH 2.68Å; Y403-V457 WeakPolarHBondContact CA-O 2.95Å; Y403-I458 HydrophobicContact CD2-CG1 4.1Å; Y403-I458 HydrophobicContact CE2-CD1 4.44Å; Y403-I458 HydrophobicContact CE2-CG1 4.25Å
404	Q	97.1	Very high	92.5	Very high	70 Å²	70	47.1 Å²	47.1	33%	0.327	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117.1	179.7	-50.4	-179	16.5	0	0	109.8	E402 Y456 V457	E402-Q404 PolarHBondContact OE1-NE2 3.3Å; E402-Q404 VanDerWaalsContact OE1-NE2 3.12Å; Q404-Y456 VanDerWaalsContact O-CD2 3.24Å; Q404-Y456 WeakPolarHBondContact O-CD2 3.44Å; Q404-V457 HydrophobicContact CB-CB 3.91Å; Q404-V457 HydrophobicContact CB-CG2 4.19Å; Q404-V457 HydrophobicContact CG-CB 4.2Å; Q404-V457 PolarHBondContact N-O 3.48Å; Q404-V457 PolarHBondContact O-N 3.19Å
405	E	97.5	Very high	93.4	Very high	46 Å²	46	46.8 Å²	46.8	22%	0.215	25%	0.25	C	C	.	.			trans	-80.8	144.4	177.8	-61.3	-178.7	166.8	0	0	110.9	Y403 L407 V414 S416 Y456	Y403-E405 HydrophobicContact CD1-CG 4.47Å; Y403-E405 HydrophobicContact CE1-CG 3.57Å; Y403-E405 WeakPolarHBondContact CE1-OE1 3.28Å; Y403-E405 WeakPolarHBondContact OH-CG 3.36Å; Y403-E405 PolarHBondContact OH-OE1 3.09Å; E405-L407 HydrophobicContact CB-CD1 4.23Å; E405-L407 HydrophobicContact CB-CG 3.92Å; E405-L407 PolarHBondContact O-N 2.94Å; E405-L407 WeakPolarHBondContact OE2-CD1 3.28Å; E405-V414 HydrophobicContact CB-CG2 4.3Å; E405-V414 HydrophobicContact CG-CG1 4.16Å; E405-S416 WeakPolarHBondContact OE1-CB 3.47Å; E405-S416 PolarHBondContact OE1-OG 3.3Å; E405-Y456 HydrophobicContact CG-CE2 4.12Å
406	P	96.6	Very high	94.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	25%	0.253	C	S	.	.			trans	-78.8	48.5	-177.6	34.7	-39.2	0	0	0	113	D408 L409 V412 V414 L435 A452 H455 Y456	P406-D408 VanDerWaalsContact C-N 3.33Å; P406-L409 HydrophobicContact CB-CD1 4.21Å; P406-V412 HydrophobicContact CG-CG1 4.21Å; P406-V414 HydrophobicContact CG-CG2 4.45Å; P406-L435 HydrophobicContact CG-CD1 3.85Å; P406-A452 HydrophobicContact CB-CB 4.22Å; P406-A452 WeakPolarHBondContact CB-O 3.16Å; P406-A452 HydrophobicContact CG-CB 4.03Å; P406-A452 WeakPolarHBondContact CG-O 3.48Å; P406-H455 HydrophobicContact CB-CB 3.79Å; P406-Y456 HydrophobicContact CG-CD1 4.44Å; P406-Y456 HydrophobicContact CG-CG 4.41Å
407	L	94.2	Very high	94.6	Very high	98 Å²	98	47 Å²	47	51%	0.513	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.7	-174.9	-66.6	179.2	0	0	0	114.1	E405 V414	E405-L407 HydrophobicContact CB-CD1 4.23Å; E405-L407 HydrophobicContact CB-CG 3.92Å; E405-L407 PolarHBondContact O-N 2.94Å; E405-L407 WeakPolarHBondContact OE2-CD1 3.28Å; L407-V414 HydrophobicContact CD2-CB 4.08Å; L407-V414 HydrophobicContact CD2-CG2 3.85Å
408	D	91.7	Very high	95.1	Very high	124 Å²	124	45.7 Å²	45.7	66%	0.663	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.2	171.8	61.4	-38.2	0	0	0	112.7	P406	P406-D408 VanDerWaalsContact C-N 3.33Å
409	L	93.6	Very high	95.6	Very high	40 Å²	40	48.4 Å²	48.4	21%	0.209	25%	0.252	C	S	.	.	S	Bend	trans	-80.1	143.6	175.2	-59.5	-178.8	0	0	0	112.4	P406 V412 D451 A452 H455	P406-L409 HydrophobicContact CB-CD1 4.21Å; L409-V412 HydrophobicContact CB-CB 4.36Å; L409-V412 HydrophobicContact CB-CG2 3.6Å; L409-V412 HydrophobicContact CD1-CG2 4.4Å; L409-D451 HydrophobicContact CD1-CB 4.07Å; L409-A452 HydrophobicContact CD1-CB 4.01Å; L409-H455 HydrophobicContact CD1-CB 4.32Å
410	S	93.7	Very high	95.9	Very high	82 Å²	82	46.1 Å²	46.1	57%	0.573	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	141.7	178.1	70.8	0	0	0	0	112.4	V412	S410-V412 PolarHBondContact O-N 2.74Å
411	N	96.2	Very high	95.9	Very high	65 Å²	65	47.2 Å²	47.2	35%	0.348	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	33.3	178	-49.7	-60.1	0	0	0	114	Y438	N411-Y438 HydrophobicContact CB-CD1 4.41Å; N411-Y438 HydrophobicContact CB-CD2 4.05Å; N411-Y438 HydrophobicContact CB-CE1 4.19Å; N411-Y438 HydrophobicContact CB-CE2 3.81Å; N411-Y438 HydrophobicContact CB-CG 4.34Å; N411-Y438 WeakPolarHBondContact CB-O 3.38Å; N411-Y438 WeakPolarHBondContact O-CD1 3.47Å; N411-Y438 WeakPolarHBondContact O-CE1 3.23Å; N411-Y438 PolarHBondContact O-N 3.39Å
412	V	97.8	Very high	95.9	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.7	168.5	-179.5	0	0	0	0	108.5	P406 L409 S410 V414 L435 V436 T437 A452	P406-V412 HydrophobicContact CG-CG1 4.21Å; L409-V412 HydrophobicContact CB-CB 4.36Å; L409-V412 HydrophobicContact CB-CG2 3.6Å; L409-V412 HydrophobicContact CD1-CG2 4.4Å; S410-V412 PolarHBondContact O-N 2.74Å; V412-V414 HydrophobicContact CG1-CG2 4.39Å; V412-L435 HydrophobicContact CG1-CD1 3.66Å; V412-V436 CarbonylContact C-O 3.56Å; V412-V436 WeakPolarHBondContact CA-O 3.48Å; V412-T437 HydrophobicContact CG2-CG2 4.05Å; V412-A452 HydrophobicContact CG1-CB 4.27Å; V412-A452 HydrophobicContact CG2-CB 4.15Å
413	R	97.9	Very high	95.7	Very high	17 Å²	17	46.8 Å²	46.8	6%	0.064	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.3	173.8	164.1	178.9	176.8	177.4	-7.5	108.1	Y35 R60 E345 D415 V436	Y35-R413 PolarHBondContact OH-NH1 2.54Å; Y35-R413 VanDerWaalsContact OH-NH1 3.07Å; R60-R413 VanDerWaalsContact NE-NH2 3.12Å; E345-R413 IonicContact OE2-CZ 3.09Å; E345-R413 IonicContact OE2-NH1 3.47Å; E345-R413 PolarHBondContact OE2-NH1 3.43Å; E345-R413 IonicContact OE2-NH2 3.37Å; E345-R413 PolarHBondContact OE2-NH2 3.32Å; R413-D415 IonicContact CZ-OD1 3.65Å; R413-D415 IonicContact CZ-OD2 3.24Å; R413-D415 IonicContact NE-OD1 2.81Å; R413-D415 PolarHBondContact NE-OD1 2.61Å; R413-D415 IonicContact NE-OD2 3.02Å; R413-D415 PolarHBondContact NE-OD2 2.91Å; R413-D415 IonicContact NH2-OD1 3.6Å; R413-D415 PolarHBondContact NH2-OD1 3.05Å; R413-D415 IonicContact NH2-OD2 3.5Å; R413-D415 PolarHBondContact NH2-OD2 3.11Å; R413-V436 HydrophobicContact CB-CB 4.14Å; R413-V436 HydrophobicContact CG-CB 4.45Å; R413-V436 PolarHBondContact N-O 3.22Å; R413-V436 PolarHBondContact O-N 2.86Å
414	V	98.4	Very high	95.3	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.4	171.5	-172.8	0	0	0	0	109.3	E405 P406 L407 V412 K434 L435	E405-V414 HydrophobicContact CB-CG2 4.3Å; E405-V414 HydrophobicContact CG-CG1 4.16Å; P406-V414 HydrophobicContact CG-CG2 4.45Å; L407-V414 HydrophobicContact CD2-CB 4.08Å; L407-V414 HydrophobicContact CD2-CG2 3.85Å; V412-V414 HydrophobicContact CG1-CG2 4.39Å; V414-K434 WeakPolarHBondContact CA-O 3.46Å; V414-L435 HydrophobicContact CG2-CD1 3.71Å
415	D	98.1	Very high	94.9	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	101.1	170	-74.3	0.5	0	0	0	107.7	P342 R413 S433 K434	P342-D415 WeakPolarHBondContact CG-OD2 3.44Å; R413-D415 IonicContact CZ-OD1 3.65Å; R413-D415 IonicContact CZ-OD2 3.24Å; R413-D415 IonicContact NE-OD1 2.81Å; R413-D415 PolarHBondContact NE-OD1 2.61Å; R413-D415 IonicContact NE-OD2 3.02Å; R413-D415 PolarHBondContact NE-OD2 2.91Å; R413-D415 IonicContact NH2-OD1 3.6Å; R413-D415 PolarHBondContact NH2-OD1 3.05Å; R413-D415 IonicContact NH2-OD2 3.5Å; R413-D415 PolarHBondContact NH2-OD2 3.11Å; D415-S433 WeakPolarHBondContact O-CA 3.5Å; D415-K434 HydrophobicContact CB-CB 4.31Å; D415-K434 VanDerWaalsContact CB-CE 3.4Å; D415-K434 PolarHBondContact N-O 3.36Å; D415-K434 PolarHBondContact O-N 3.44Å; D415-K434 IonicContact OD2-NZ 3.78Å
416	S	96.3	Very high	94.3	Very high	15 Å²	15	44 Å²	44	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.7	-178.2	61.9	0	0	0	0	112.7	E56 E405	E56-S416 VanDerWaalsContact CB-C 3.49Å; E405-S416 WeakPolarHBondContact OE1-CB 3.47Å; E405-S416 PolarHBondContact OE1-OG 3.3Å
417	G	94.8	Very high	93.8	Very high	7 Å²	7	48.4 Å²	48.4	7%	0.072	26%	0.263	C	S	.	.	S	Bend	trans	-118.3	14.7	176.8	0	0	0	0	0	113.5
418	I	95.3	Very high	93.6	Very high	25 Å²	25	44 Å²	44	13%	0.128	24%	0.24	C	C	.	.			trans	-138.8	160.6	-170.4	53.1	134.8	0	0	0	109.4	L400 Y403 I424 I432	L400-I418 HydrophobicContact CD1-CB 4.29Å; L400-I418 HydrophobicContact CD1-CD1 3.3Å; L400-I418 HydrophobicContact CD1-CG1 4.4Å; Y403-I418 HydrophobicContact CD2-CD1 4.02Å; Y403-I418 HydrophobicContact CE1-CD1 4.05Å; Y403-I418 HydrophobicContact CE2-CD1 3.5Å; Y403-I418 VanDerWaalsContact CE2-CD1 3.5Å; Y403-I418 HydrophobicContact CG-CD1 4.49Å; I418-I424 HydrophobicContact CG2-CD1 4.27Å; I418-I432 HydrophobicContact CD1-CB 4.2Å; I418-I432 HydrophobicContact CD1-CG2 3.33Å; I418-I432 HydrophobicContact CG1-CG2 4.27Å; I418-I432 WeakPolarHBondContact CG1-O 3.31Å
419	E	95.6	Very high	93.5	Very high	82 Å²	82	42 Å²	42	38%	0.383	23%	0.229	S	C	.	.			trans	-141.5	168.9	176.3	63.1	-174.5	-178.2	0	0	110	V84 K87 G421 S422	V84-E419 HydrophobicContact CG2-CB 4.07Å; V84-E419 HydrophobicContact CG2-CG 3.83Å; K87-E419 IonicContact NZ-OE1 3.81Å; K87-E419 PolarHBondContact NZ-OE1 3.24Å; E419-G421 PolarHBondContact O-N 3.3Å; E419-S422 PolarHBondContact N-OG 2.88Å; E419-S422 WeakPolarHBondContact O-CB 3.49Å; E419-S422 PolarHBondContact O-N 3.38Å; E419-S422 PolarHBondContact O-OG 3.24Å
420	E	96.6	Very high	93.3	Very high	109 Å²	109	40.3 Å²	40.3	51%	0.509	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	132.6	173.1	-175.3	174	108.3	0	0	111.1	E402 Y403 S422	E402-E420 WeakPolarHBondContact CA-OE2 3.43Å; Y403-E420 PolarHBondContact N-OE2 3.04Å; E420-S422 VanDerWaalsContact C-N 3.34Å
421	G	94.8	Very high	93.3	Very high	22 Å²	22	37.8 Å²	37.8	23%	0.227	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-2.2	-175.7	0	0	0	0	0	115.2	R399 L400 E419	R399-G421 PolarHBondContact NE-O 2.82Å; L400-G421 WeakPolarHBondContact O-CA 3.43Å; L400-G421 PolarHBondContact O-N 2.85Å; E419-G421 PolarHBondContact O-N 3.3Å
422	S	94.8	Very high	93.3	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.154	18%	0.183	C	C	.	.			trans	-68.7	153.1	172.7	-59.3	0	0	0	0	112.1	R399 L400 E419 E420	R399-S422 WeakPolarHBondContact CA-O 3.44Å; L400-S422 PolarHBondContact N-O 2.87Å; E419-S422 PolarHBondContact N-OG 2.88Å; E419-S422 WeakPolarHBondContact O-CB 3.49Å; E419-S422 PolarHBondContact O-N 3.38Å; E419-S422 PolarHBondContact O-OG 3.24Å; E420-S422 VanDerWaalsContact C-N 3.34Å
423	D	90.8	Very high	93.3	Very high	106 Å²	106	33.9 Å²	33.9	57%	0.567	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.1	175.9	-67.6	-69.4	0	0	0	111.3	R399 S425	R399-D423 VanDerWaalsContact CB-OD1 3.28Å; R399-D423 WeakPolarHBondContact CB-OD1 3.24Å; D423-S425 PolarHBondContact O-N 3.29Å
424	I	90.2	Very high	93.4	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.077	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.5	166.3	-53.9	-58.2	0	0	0	107.5	A385 I397 G398 L400 I418 I432 V461 M676	A385-I424 HydrophobicContact CB-CG1 4.37Å; A385-I424 HydrophobicContact CB-CG2 3.93Å; I397-I424 WeakPolarHBondContact CB-O 3.34Å; G398-I424 PolarHBondContact N-O 2.82Å; G398-I424 VanDerWaalsContact N-O 3.13Å; G398-I424 PolarHBondContact O-N 3.39Å; L400-I424 HydrophobicContact CD2-CG1 4.39Å; L400-I424 HydrophobicContact CG-CG1 4.5Å; I418-I424 HydrophobicContact CG2-CD1 4.27Å; I424-I432 HydrophobicContact CD1-CG1 4.33Å; I424-V461 HydrophobicContact CG1-CG1 4.26Å; I424-M676 HydrophobicContact CG2-CE 3.91Å
425	S	87.5	Confident	93.4	Very high	30 Å²	30	32.7 Å²	32.7	21%	0.21	17%	0.173	C	C	.	.			trans	-91.6	156.7	-175.1	81.8	0	0	0	0	112.7	D423 Y427 Y428 M676	D423-S425 PolarHBondContact O-N 3.29Å; S425-Y427 PolarHBondContact O-N 3.38Å; S425-Y428 WeakPolarHBondContact OG-CD2 3.26Å; S425-M676 WeakPolarHBondContact O-CE 3.29Å
426	I	85.1	Confident	93.4	Very high	31 Å²	31	32.3 Å²	32.3	16%	0.159	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.1	177.3	60.4	172.9	0	0	0	114.2	I397 P650 M676 T700	I397-I426 HydrophobicContact CD1-CG2 3.72Å; I397-I426 HydrophobicContact CG1-CG2 4.46Å; I397-I426 HydrophobicContact CG2-CG2 3.91Å; I426-P650 HydrophobicContact CG2-CB 4.48Å; I426-M676 PolarHBondContact O-N 3.35Å; I426-T700 HydrophobicContact CD1-CG2 4.09Å
427	Y	87	Confident	93.5	Very high	93 Å²	93	31.6 Å²	31.6	37%	0.365	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-18	-165.9	-60.9	-70.9	0	0	0	113.9	V79 A98 P99 S425	V79-Y427 HydrophobicContact CG2-CD2 4.48Å; A98-Y427 HydrophobicContact CB-CD1 4.05Å; A98-Y427 HydrophobicContact CB-CD2 3.45Å; A98-Y427 VanDerWaalsContact CB-CD2 3.45Å; A98-Y427 HydrophobicContact CB-CE1 4.06Å; A98-Y427 HydrophobicContact CB-CE2 3.43Å; A98-Y427 VanDerWaalsContact CB-CE2 3.43Å; A98-Y427 HydrophobicContact CB-CG 3.75Å; P99-Y427 HydrophobicContact CG-CD1 4.44Å; P99-Y427 HydrophobicContact CG-CE1 4.28Å; S425-Y427 PolarHBondContact O-N 3.38Å
428	Y	90.4	Very high	93.7	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.02	17%	0.172	C	C	.	.	S	Bend	trans	-125.3	178	-168.4	-53	-52.5	0	0	0	112.4	R54 S77 V79 D80 A98 T100 Y104 S425 M676	R54-Y428 VanDerWaalsContact CZ-CG 3.43Å; R54-Y428 VanDerWaalsContact NH1-CB 3.34Å; S77-Y428 WeakPolarHBondContact CB-OH 3.42Å; S77-Y428 PolarHBondContact OG-OH 2.92Å; V79-Y428 HydrophobicContact CG2-CE2 3.89Å; D80-Y428 WeakPolarHBondContact OD1-CE2 3.5Å; D80-Y428 WeakPolarHBondContact OD2-CE2 3.49Å; D80-Y428 VanDerWaalsContact OD2-CZ 3.31Å; D80-Y428 PolarHBondContact OD2-OH 3.2Å; A98-Y428 PolarHBondContact O-OH 2.83Å; T100-Y428 HydrophobicContact CG2-CD1 3.72Å; T100-Y428 HydrophobicContact CG2-CE1 3.68Å; Y104-Y428 AromaticContact CD2-CE1 3.94Å; Y104-Y428 HydrophobicContact CD2-CE1 3.94Å; Y104-Y428 AromaticContact CE2-CE1 3.77Å; Y104-Y428 HydrophobicContact CE2-CE1 3.77Å; Y104-Y428 AromaticContact CE2-CZ 3.8Å; S425-Y428 WeakPolarHBondContact OG-CD2 3.26Å; Y428-M676 VanDerWaalsContact O-CB 3.28Å; Y428-M676 WeakPolarHBondContact O-CB 3.3Å; Y428-M676 WeakPolarHBondContact O-CE 3.46Å; Y428-M676 WeakPolarHBondContact O-CG 3.42Å
429	D	88	Confident	93.8	Very high	81 Å²	81	33.1 Å²	33.1	43%	0.433	17%	0.172	S	C	.	.			trans	-64.6	141	177.9	-173.9	-82	0	0	0	111.5	Y384 M431	Y384-D429 WeakPolarHBondContact CE1-OD1 3.42Å; D429-M431 PolarHBondContact O-N 3.48Å; D429-M431 WeakPolarHBondContact OD1-CB 3.28Å; D429-M431 PolarHBondContact OD1-N 2.82Å
430	P	89.8	Confident	93.9	Very high	5 Å²	5	33 Å²	33	3%	0.032	18%	0.181	C	C	.	.			trans	-77.4	0.4	-176.3	21.7	-21.7	0	0	0	114.5	Y384 A385 E386 I432 M676	Y384-P430 VanDerWaalsContact CD1-C 3.48Å; Y384-P430 HydrophobicContact CD1-CB 3.96Å; Y384-P430 HydrophobicContact CD1-CG 3.72Å; Y384-P430 HydrophobicContact CE1-CG 4.1Å; A385-P430 HydrophobicContact CB-CB 4.33Å; A385-P430 PolarHBondContact N-O 2.91Å; E386-P430 HydrophobicContact CG-CB 4.41Å; E386-P430 HydrophobicContact CG-CG 4.35Å; P430-I432 PolarHBondContact O-N 3.21Å; P430-I432 VanDerWaalsContact O-N 3.13Å; P430-M676 HydrophobicContact CB-CE 3.42Å; P430-M676 VanDerWaalsContact CB-CE 3.42Å; P430-M676 HydrophobicContact CB-SD 3.7Å; P430-M676 HydrophobicContact CG-CE 4.08Å; P430-M676 HydrophobicContact CG-SD 4.12Å; P430-M676 VanDerWaalsContact N-CE 3.34Å
431	M	94.6	Very high	93.9	Very high	29 Å²	29	30.9 Å²	30.9	14%	0.143	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	116.3	-178.3	-166.4	167.6	62.8	0	0	110.1	E56 V339 R382 Y384 D429 K434	E56-M431 HydrophobicContact CG-CE 3.84Å; V339-M431 HydrophobicContact CG1-CE 3.92Å; V339-M431 HydrophobicContact CG1-SD 4.09Å; R382-M431 HydrophobicContact CB-SD 4.41Å; R382-M431 HydrophobicContact CG-SD 4.31Å; Y384-M431 VanDerWaalsContact CD1-CA 3.46Å; Y384-M431 HydrophobicContact CD1-CB 3.9Å; Y384-M431 VanDerWaalsContact CD1-N 3.3Å; Y384-M431 HydrophobicContact CE1-CB 3.47Å; Y384-M431 VanDerWaalsContact CE1-CB 3.47Å; Y384-M431 HydrophobicContact CE1-CG 4.13Å; D429-M431 PolarHBondContact O-N 3.48Å; D429-M431 WeakPolarHBondContact OD1-CB 3.28Å; D429-M431 PolarHBondContact OD1-N 2.82Å; M431-K434 HydrophobicContact CE-CG 4.41Å; M431-K434 HydrophobicContact SD-CG 4Å
432	I	96.4	Very high	94.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-52.6	174.3	-70.9	173.8	0	0	0	108.2	V383 A385 Y403 I418 I424 P430 I458 V461 H463	V383-I432 HydrophobicContact CG1-CB 4.22Å; V383-I432 HydrophobicContact CG1-CD1 4.4Å; V383-I432 HydrophobicContact CG1-CG2 4.27Å; V383-I432 WeakPolarHBondContact O-CB 3.47Å; V383-I432 PolarHBondContact O-N 2.91Å; A385-I432 HydrophobicContact CB-CD1 3.88Å; A385-I432 HydrophobicContact CB-CG1 4.01Å; Y403-I432 HydrophobicContact CE2-CG2 3.75Å; I418-I432 HydrophobicContact CD1-CB 4.2Å; I418-I432 HydrophobicContact CD1-CG2 3.33Å; I418-I432 HydrophobicContact CG1-CG2 4.27Å; I418-I432 WeakPolarHBondContact CG1-O 3.31Å; I424-I432 HydrophobicContact CD1-CG1 4.33Å; P430-I432 PolarHBondContact O-N 3.21Å; P430-I432 VanDerWaalsContact O-N 3.13Å; I432-I458 HydrophobicContact CD1-CD1 4.14Å; I432-I458 HydrophobicContact CD1-CG2 4.18Å; I432-I458 HydrophobicContact CG2-CD1 4.1Å; I432-V461 HydrophobicContact CD1-CG2 4.26Å; I432-H463 HydrophobicContact CD1-CB 4.36Å
433	S	97.8	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	167.5	-177.4	67.9	0	0	0	0	111.8	V383 D415 Y456	V383-S433 PolarHBondContact N-O 3.07Å; V383-S433 PolarHBondContact O-N 3.23Å; D415-S433 WeakPolarHBondContact O-CA 3.5Å; S433-Y456 WeakPolarHBondContact CB-OH 3.45Å; S433-Y456 PolarHBondContact OG-OH 2.93Å
434	K	98.6	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119	161.5	-58.1	172.8	-53.8	-160.4	0	108.1	E56 V339 P342 E380 V414 D415 M431	E56-K434 VanDerWaalsContact CD-CE 3.4Å; E56-K434 VanDerWaalsContact CD-NZ 3.28Å; E56-K434 VanDerWaalsContact OE1-CD 3.27Å; E56-K434 WeakPolarHBondContact OE1-CD 3.47Å; E56-K434 WeakPolarHBondContact OE1-CE 3.02Å; E56-K434 IonicContact OE1-NZ 3.12Å; E56-K434 PolarHBondContact OE1-NZ 2.76Å; E56-K434 WeakPolarHBondContact OE2-CE 3.43Å; E56-K434 IonicContact OE2-NZ 3.7Å; E56-K434 PolarHBondContact OE2-NZ 3.24Å; E56-K434 VanDerWaalsContact OE2-NZ 3.14Å; V339-K434 HydrophobicContact CG1-CD 3.67Å; V339-K434 HydrophobicContact CG1-CG 4.39Å; V339-K434 WeakPolarHBondContact O-CD 3.42Å; V339-K434 PolarHBondContact O-NZ 2.91Å; V339-K434 VanDerWaalsContact O-NZ 3.1Å; P342-K434 HydrophobicContact CG-CD 4.5Å; E380-K434 HydrophobicContact CG-CB 4.11Å; E380-K434 WeakPolarHBondContact OE1-CD 3.24Å; V414-K434 WeakPolarHBondContact CA-O 3.46Å; D415-K434 HydrophobicContact CB-CB 4.31Å; D415-K434 VanDerWaalsContact CB-CE 3.4Å; D415-K434 PolarHBondContact N-O 3.36Å; D415-K434 PolarHBondContact O-N 3.44Å; D415-K434 IonicContact OD2-NZ 3.78Å; M431-K434 HydrophobicContact CE-CG 4.41Å; M431-K434 HydrophobicContact SD-CG 4Å
435	L	98.8	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.5	173.7	176.1	62.3	0	0	0	108.5	E380 S381 V383 P406 V412 V414 M449 A452 L453 Y456	E380-L435 CarbonylContact C-O 3.55Å; E380-L435 WeakPolarHBondContact CA-O 3.28Å; S381-L435 PolarHBondContact N-O 2.96Å; S381-L435 PolarHBondContact O-N 3Å; V383-L435 HydrophobicContact CG2-CB 4.12Å; P406-L435 HydrophobicContact CG-CD1 3.85Å; V412-L435 HydrophobicContact CG1-CD1 3.66Å; V414-L435 HydrophobicContact CG2-CD1 3.71Å; L435-M449 HydrophobicContact CD2-SD 3.66Å; L435-M449 HydrophobicContact CG-CE 4.44Å; L435-M449 HydrophobicContact CG-SD 3.82Å; L435-M449 VanDerWaalsContact O-CE 3.31Å; L435-M449 WeakPolarHBondContact O-CE 3.37Å; L435-A452 HydrophobicContact CD1-CB 4.17Å; L435-A452 HydrophobicContact CD2-CB 4.02Å; L435-L453 HydrophobicContact CD2-CD2 3.71Å; L435-L453 HydrophobicContact CD2-CG 3.95Å; L435-Y456 HydrophobicContact CB-CE1 4.5Å; L435-Y456 HydrophobicContact CD2-CD1 4.14Å
436	V	98.8	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132	-176.5	-175.8	0	0	0	0	109.2	P342 I343 I379 E380 V412 R413	P342-V436 HydrophobicContact CB-CG2 3.74Å; P342-V436 HydrophobicContact CG-CG2 4.47Å; I343-V436 HydrophobicContact CG2-CG1 3.9Å; I379-V436 CarbonylContact O-C 3.15Å; I379-V436 VanDerWaalsContact O-CA 3.31Å; I379-V436 WeakPolarHBondContact O-CA 3.34Å; E380-V436 HydrophobicContact CB-CG2 4.13Å; E380-V436 HydrophobicContact CG-CG2 3.88Å; E380-V436 WeakPolarHBondContact OE2-CG2 3.15Å; V412-V436 CarbonylContact C-O 3.56Å; V412-V436 WeakPolarHBondContact CA-O 3.48Å; R413-V436 HydrophobicContact CB-CB 4.14Å; R413-V436 HydrophobicContact CG-CB 4.45Å; R413-V436 PolarHBondContact N-O 3.22Å; R413-V436 PolarHBondContact O-N 2.86Å
437	T	98.8	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.6	171.1	63.6	0	0	0	0	109.8	A378 I379 V412 A445 R448 M449 A452	A378-T437 CarbonylContact C-O 3.58Å; A378-T437 VanDerWaalsContact CA-O 3.28Å; A378-T437 WeakPolarHBondContact CA-O 3.02Å; I379-T437 PolarHBondContact N-O 2.89Å; I379-T437 PolarHBondContact O-N 3.5Å; V412-T437 HydrophobicContact CG2-CG2 4.05Å; T437-A445 PolarHBondContact OG1-O 2.75Å; T437-R448 HydrophobicContact CG2-CB 4.23Å; T437-M449 HydrophobicContact CG2-CB 4.1Å; T437-M449 HydrophobicContact CG2-CE 3.98Å; T437-M449 HydrophobicContact CG2-SD 4.04Å; T437-M449 WeakPolarHBondContact OG1-CB 3.46Å; T437-A452 HydrophobicContact CG2-CB 4.18Å
438	Y	98.4	Very high	96.6	Very high	53 Å²	53	29.3 Å²	29.3	21%	0.208	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.4	-178.6	56.9	-82.2	0	0	0	111.9	C346 W377 N411 R448	C346-Y438 HydrophobicContact CB-CD1 4.2Å; C346-Y438 HydrophobicContact CB-CG 4.05Å; W377-Y438 CarbonylContact O-C 3.45Å; W377-Y438 WeakPolarHBondContact O-CA 3.46Å; W377-Y438 WeakPolarHBondContact O-CB 3.5Å; N411-Y438 HydrophobicContact CB-CD1 4.41Å; N411-Y438 HydrophobicContact CB-CD2 4.05Å; N411-Y438 HydrophobicContact CB-CE1 4.19Å; N411-Y438 HydrophobicContact CB-CE2 3.81Å; N411-Y438 HydrophobicContact CB-CG 4.34Å; N411-Y438 WeakPolarHBondContact CB-O 3.38Å; N411-Y438 WeakPolarHBondContact O-CD1 3.47Å; N411-Y438 WeakPolarHBondContact O-CE1 3.23Å; N411-Y438 PolarHBondContact O-N 3.39Å; Y438-R448 PolarHBondContact O-NH1 3.17Å
439	G	97.1	Very high	97	Very high	12 Å²	12	29 Å²	29	12%	0.124	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	174.5	-173.1	0	0	0	0	0	113.9	G376 W377 T441	G376-G439 CarbonylContact C-O 3.44Å; G376-G439 VanDerWaalsContact CA-O 3.25Å; G376-G439 WeakPolarHBondContact CA-O 3.47Å; W377-G439 PolarHBondContact N-O 3.43Å; W377-G439 PolarHBondContact O-N 2.95Å; G439-T441 PolarHBondContact O-N 2.91Å
440	S	97.3	Very high	97.5	Very high	80 Å²	80	28.1 Å²	28.1	56%	0.559	16%	0.161	S	C	*	.	S	Bend	trans	-70.6	-24.6	179.2	82.5	0	0	0	0	112.2	E444	S440-E444 PolarHBondContact N-OE2 2.83Å; S440-E444 VanDerWaalsContact OG-CD 3.25Å; S440-E444 PolarHBondContact OG-OE1 3.34Å; S440-E444 PolarHBondContact OG-OE2 3.34Å
441	T	98.2	Very high	97.8	Very high	63 Å²	63	31.3 Å²	31.3	39%	0.387	18%	0.178	S	C	.	.	S	Bend	trans	-132.7	160.7	176.7	68.4	0	0	0	0	110.5	G439 A443 E444 A445	G439-T441 PolarHBondContact O-N 2.91Å; T441-A443 VanDerWaalsContact C-N 3.3Å; T441-A443 PolarHBondContact O-N 3.01Å; T441-E444 PolarHBondContact O-N 3.3Å; T441-E444 WeakPolarHBondContact OG1-CG 3.46Å; T441-E444 PolarHBondContact OG1-N 2.87Å; T441-A445 PolarHBondContact O-N 2.82Å; T441-A445 VanDerWaalsContact O-N 3.16Å
442	R	98.1	Very high	98	Very high	26 Å²	26	29.9 Å²	29.9	10%	0.098	17%	0.171	C	C	.	.	H	α-helix	trans	-58.4	-42.4	173	-170.7	176.7	-175.3	-102.6	2.8	112.2	E285 W377 E444 A445 L446 F477 I478	E285-R442 IonicContact OE1-CZ 2.89Å; E285-R442 IonicContact OE1-NE 3.96Å; E285-R442 IonicContact OE1-NH2 3.76Å; E285-R442 PolarHBondContact OE1-NH2 2.82Å; E285-R442 IonicContact OE2-CZ 2.76Å; E285-R442 IonicContact OE2-NE 3.41Å; E285-R442 PolarHBondContact OE2-NE 2.79Å; E285-R442 IonicContact OE2-NH2 2.7Å; W377-R442 HydrophobicContact CB-CB 4.24Å; W377-R442 HydrophobicContact CD2-CB 3.66Å; W377-R442 HydrophobicContact CD2-CG 4.1Å; W377-R442 HydrophobicContact CE3-CB 4.07Å; W377-R442 HydrophobicContact CG-CB 3.74Å; W377-R442 HydrophobicContact CG-CG 4.02Å; R442-E444 VanDerWaalsContact C-N 3.32Å; R442-E444 PolarHBondContact O-N 2.82Å; R442-A445 PolarHBondContact O-N 2.81Å; R442-A445 VanDerWaalsContact O-N 3.15Å; R442-L446 HydrophobicContact CG-CD1 4.12Å; R442-L446 HydrophobicContact CG-CG 4.36Å; R442-L446 WeakPolarHBondContact O-CG 3.45Å; R442-L446 PolarHBondContact O-N 2.91Å; R442-F477 PolarHBondContact NH1-O 2.8Å; R442-F477 PolarHBondContact NH2-O 2.8Å; R442-I478 PolarHBondContact NH1-O 3.37Å
443	A	98.3	Very high	98.1	Very high	68 Å²	68	29.9 Å²	29.9	56%	0.562	17%	0.171	S	C	*	.	H	α-helix	trans	-60.8	-40.4	179.5	0	0	0	0	0	112.2	T441 L446 S447	T441-A443 VanDerWaalsContact C-N 3.3Å; T441-A443 PolarHBondContact O-N 3.01Å; A443-L446 PolarHBondContact O-N 2.94Å; A443-S447 WeakPolarHBondContact O-CB 3.44Å; A443-S447 PolarHBondContact O-N 2.88Å
444	E	98.1	Very high	98	Very high	66 Å²	66	30.6 Å²	30.6	31%	0.308	18%	0.175	S	C	.	.	H	α-helix	trans	-64.6	-42.1	173.4	-75.9	-179.2	-156.3	0	0	112.8	S440 T441 R442 R448	S440-E444 PolarHBondContact N-OE2 2.83Å; S440-E444 VanDerWaalsContact OG-CD 3.25Å; S440-E444 PolarHBondContact OG-OE1 3.34Å; S440-E444 PolarHBondContact OG-OE2 3.34Å; T441-E444 PolarHBondContact O-N 3.3Å; T441-E444 WeakPolarHBondContact OG1-CG 3.46Å; T441-E444 PolarHBondContact OG1-N 2.87Å; R442-E444 VanDerWaalsContact C-N 3.32Å; R442-E444 PolarHBondContact O-N 2.82Å; E444-R448 WeakPolarHBondContact O-CB 3.19Å; E444-R448 VanDerWaalsContact O-CG 3.31Å; E444-R448 WeakPolarHBondContact O-CG 3.44Å; E444-R448 PolarHBondContact O-N 2.96Å; E444-R448 IonicContact OE2-CZ 3.85Å; E444-R448 IonicContact OE2-NH1 2.7Å; E444-R448 PolarHBondContact OE2-NH1 3.19Å; E444-R448 VanDerWaalsContact OE2-NH1 3.09Å; E444-R448 IonicContact OE2-NH2 3.18Å; E444-R448 PolarHBondContact OE2-NH2 3.07Å
445	A	98.3	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-43.5	177.1	0	0	0	0	0	111	W377 I379 T437 T441 R442 R448 M449	W377-A445 HydrophobicContact CB-CB 4.44Å; I379-A445 HydrophobicContact CD1-CB 4.09Å; I379-A445 HydrophobicContact CG1-CB 4.13Å; T437-A445 PolarHBondContact OG1-O 2.75Å; T441-A445 PolarHBondContact O-N 2.82Å; T441-A445 VanDerWaalsContact O-N 3.16Å; R442-A445 PolarHBondContact O-N 2.81Å; R442-A445 VanDerWaalsContact O-N 3.15Å; A445-R448 PolarHBondContact O-N 2.97Å; A445-M449 PolarHBondContact O-N 2.93Å
446	L	98.4	Very high	97.9	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-50.7	175.3	-71.7	169.5	0	0	0	112.3	I379 R442 A443 R448 M449 E450 I472 F477	I379-L446 HydrophobicContact CD1-CB 4.4Å; I379-L446 HydrophobicContact CD1-CD2 3.27Å; I379-L446 HydrophobicContact CD1-CG 3.55Å; R442-L446 HydrophobicContact CG-CD1 4.12Å; R442-L446 HydrophobicContact CG-CG 4.36Å; R442-L446 WeakPolarHBondContact O-CG 3.45Å; R442-L446 PolarHBondContact O-N 2.91Å; A443-L446 PolarHBondContact O-N 2.94Å; L446-R448 VanDerWaalsContact C-N 3.29Å; L446-R448 PolarHBondContact O-N 3.33Å; L446-M449 WeakPolarHBondContact O-CB 3.37Å; L446-M449 PolarHBondContact O-N 2.8Å; L446-E450 PolarHBondContact O-N 3.38Å; L446-I472 HydrophobicContact CD2-CD1 4.35Å; L446-I472 HydrophobicContact CD2-CG2 3.96Å; L446-F477 HydrophobicContact CD2-CD1 3.9Å; L446-F477 HydrophobicContact CD2-CE1 3.45Å; L446-F477 VanDerWaalsContact CD2-CE1 3.45Å
447	S	97.4	Very high	97.8	Very high	57 Å²	57	31.9 Å²	31.9	40%	0.399	18%	0.181	S	C	.	.	H	α-helix	trans	-58.8	-41.2	179	169.4	0	0	0	0	111.5	A443 E450 D451	A443-S447 WeakPolarHBondContact O-CB 3.44Å; A443-S447 PolarHBondContact O-N 2.88Å; S447-E450 WeakPolarHBondContact O-CB 3.34Å; S447-E450 PolarHBondContact O-N 3.48Å; S447-D451 PolarHBondContact O-N 3.31Å
448	R	97.9	Very high	97.7	Very high	55 Å²	55	31.9 Å²	31.9	21%	0.208	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-37	174.3	-72.2	177.5	-174	113.2	16.8	112.9	T437 Y438 E444 A445 L446 E450 D451 A452	T437-R448 HydrophobicContact CG2-CB 4.23Å; Y438-R448 PolarHBondContact O-NH1 3.17Å; E444-R448 WeakPolarHBondContact O-CB 3.19Å; E444-R448 VanDerWaalsContact O-CG 3.31Å; E444-R448 WeakPolarHBondContact O-CG 3.44Å; E444-R448 PolarHBondContact O-N 2.96Å; E444-R448 IonicContact OE2-CZ 3.85Å; E444-R448 IonicContact OE2-NH1 2.7Å; E444-R448 PolarHBondContact OE2-NH1 3.19Å; E444-R448 VanDerWaalsContact OE2-NH1 3.09Å; E444-R448 IonicContact OE2-NH2 3.18Å; E444-R448 PolarHBondContact OE2-NH2 3.07Å; A445-R448 PolarHBondContact O-N 2.97Å; L446-R448 VanDerWaalsContact C-N 3.29Å; L446-R448 PolarHBondContact O-N 3.33Å; R448-E450 VanDerWaalsContact C-N 3.33Å; R448-D451 PolarHBondContact O-N 3.24Å; R448-A452 WeakPolarHBondContact O-CB 3.45Å; R448-A452 PolarHBondContact O-N 2.92Å
449	M	98.6	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-41.4	175.7	-174.6	61.9	78.9	0	0	111	I379 S381 L435 T437 A445 L446 A452 L453 I472	I379-M449 HydrophobicContact CB-CE 4.14Å; I379-M449 HydrophobicContact CG2-CE 3.89Å; I379-M449 WeakPolarHBondContact O-CE 3.34Å; S381-M449 PolarHBondContact OG-SD 3.16Å; L435-M449 HydrophobicContact CD2-SD 3.66Å; L435-M449 HydrophobicContact CG-CE 4.44Å; L435-M449 HydrophobicContact CG-SD 3.82Å; L435-M449 VanDerWaalsContact O-CE 3.31Å; L435-M449 WeakPolarHBondContact O-CE 3.37Å; T437-M449 HydrophobicContact CG2-CB 4.1Å; T437-M449 HydrophobicContact CG2-CE 3.98Å; T437-M449 HydrophobicContact CG2-SD 4.04Å; T437-M449 WeakPolarHBondContact OG1-CB 3.46Å; A445-M449 PolarHBondContact O-N 2.93Å; L446-M449 WeakPolarHBondContact O-CB 3.37Å; L446-M449 PolarHBondContact O-N 2.8Å; M449-A452 PolarHBondContact O-N 2.86Å; M449-L453 HydrophobicContact CG-CD1 3.9Å; M449-L453 HydrophobicContact CG-CG 4.37Å; M449-L453 WeakPolarHBondContact O-CB 3.21Å; M449-L453 VanDerWaalsContact O-CG 3.23Å; M449-L453 WeakPolarHBondContact O-CG 3.23Å; M449-L453 PolarHBondContact O-N 3.29Å; M449-L453 HydrophobicContact SD-CD1 4.26Å; M449-L453 HydrophobicContact SD-CG 4.21Å; M449-I472 HydrophobicContact CB-CG2 4.1Å; M449-I472 HydrophobicContact CG-CD1 3.84Å; M449-I472 HydrophobicContact CG-CG1 3.71Å; M449-I472 HydrophobicContact CG-CG2 4.15Å
450	E	97.5	Very high	97.2	Very high	61 Å²	61	32.7 Å²	32.7	29%	0.285	20%	0.197	S	C	.	.	H	α-helix	trans	-56.5	-53.1	173.5	139.1	158.9	-123.4	0	0	111.2	L446 S447 R448 A452 L453 D454 R469	L446-E450 PolarHBondContact O-N 3.38Å; S447-E450 WeakPolarHBondContact O-CB 3.34Å; S447-E450 PolarHBondContact O-N 3.48Å; R448-E450 VanDerWaalsContact C-N 3.33Å; E450-A452 PolarHBondContact O-N 2.85Å; E450-L453 PolarHBondContact O-N 2.97Å; E450-D454 PolarHBondContact O-N 2.96Å; E450-R469 VanDerWaalsContact CD-NH2 3.34Å; E450-R469 VanDerWaalsContact CG-NH1 3.34Å; E450-R469 VanDerWaalsContact CG-NH2 3.27Å; E450-R469 PolarHBondContact O-NE 2.91Å; E450-R469 IonicContact OE1-CZ 3.09Å; E450-R469 IonicContact OE1-NH1 3.18Å; E450-R469 PolarHBondContact OE1-NH1 2.83Å; E450-R469 IonicContact OE1-NH2 2.64Å; E450-R469 PolarHBondContact OE1-NH2 3.14Å; E450-R469 IonicContact OE2-NH1 3Å
451	D	96.8	Very high	96.8	Very high	72 Å²	72	29.5 Å²	29.5	39%	0.385	17%	0.174	S	C	.	.	H	α-helix	trans	-60.5	-46.5	176.3	-69.3	-28.8	0	0	0	111.7	L409 S447 R448 L453 D454 H455	L409-D451 HydrophobicContact CD1-CB 4.07Å; S447-D451 PolarHBondContact O-N 3.31Å; R448-D451 PolarHBondContact O-N 3.24Å; D451-L453 VanDerWaalsContact C-N 3.34Å; D451-L453 PolarHBondContact O-N 3.13Å; D451-D454 PolarHBondContact O-N 3.42Å; D451-D454 VanDerWaalsContact O-N 3.15Å; D451-H455 PolarHBondContact O-N 3.04Å; D451-H455 PolarHBondContact O-ND1 3.22Å
452	A	98.3	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-39.2	-176.9	0	0	0	0	0	112.6	P406 L409 V412 L435 T437 R448 M449 E450 H455 Y456	P406-A452 HydrophobicContact CB-CB 4.22Å; P406-A452 WeakPolarHBondContact CB-O 3.16Å; P406-A452 HydrophobicContact CG-CB 4.03Å; P406-A452 WeakPolarHBondContact CG-O 3.48Å; L409-A452 HydrophobicContact CD1-CB 4.01Å; V412-A452 HydrophobicContact CG1-CB 4.27Å; V412-A452 HydrophobicContact CG2-CB 4.15Å; L435-A452 HydrophobicContact CD1-CB 4.17Å; L435-A452 HydrophobicContact CD2-CB 4.02Å; T437-A452 HydrophobicContact CG2-CB 4.18Å; R448-A452 WeakPolarHBondContact O-CB 3.45Å; R448-A452 PolarHBondContact O-N 2.92Å; M449-A452 PolarHBondContact O-N 2.86Å; E450-A452 PolarHBondContact O-N 2.85Å; A452-H455 PolarHBondContact O-N 3.11Å; A452-Y456 WeakPolarHBondContact O-CB 3.47Å; A452-Y456 PolarHBondContact O-N 3.12Å; A452-Y456 VanDerWaalsContact O-N 3.1Å
453	L	98.2	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-37.1	175.4	-73.4	168	0	0	0	111.9	L435 M449 E450 D451 H455 Y456 I465 L468 R469 I472	L435-L453 HydrophobicContact CD2-CD2 3.71Å; L435-L453 HydrophobicContact CD2-CG 3.95Å; M449-L453 HydrophobicContact CG-CD1 3.9Å; M449-L453 HydrophobicContact CG-CG 4.37Å; M449-L453 WeakPolarHBondContact O-CB 3.21Å; M449-L453 VanDerWaalsContact O-CG 3.23Å; M449-L453 WeakPolarHBondContact O-CG 3.23Å; M449-L453 PolarHBondContact O-N 3.29Å; M449-L453 HydrophobicContact SD-CD1 4.26Å; M449-L453 HydrophobicContact SD-CG 4.21Å; E450-L453 PolarHBondContact O-N 2.97Å; D451-L453 VanDerWaalsContact C-N 3.34Å; D451-L453 PolarHBondContact O-N 3.13Å; L453-H455 VanDerWaalsContact C-N 3.33Å; L453-Y456 PolarHBondContact O-N 3.29Å; L453-I465 HydrophobicContact CB-CG2 4.37Å; L453-I465 HydrophobicContact CD2-CG1 4.31Å; L453-I465 HydrophobicContact CD2-CG2 4.21Å; L453-L468 HydrophobicContact CD1-CB 4.02Å; L453-L468 HydrophobicContact CD2-CB 4.01Å; L453-L468 HydrophobicContact CD2-CD1 4.16Å; L453-R469 HydrophobicContact CD1-CB 4.27Å; L453-I472 HydrophobicContact CD1-CG1 4.18Å
454	D	96.8	Very high	96.2	Very high	16 Å²	16	26 Å²	26	9%	0.086	15%	0.147	C	C	.	.	H	α-helix	trans	-72.1	-26.3	176.4	-70.7	-24.9	0	0	0	112.6	E450 D451 R469 M596 Q598 G614	E450-D454 PolarHBondContact O-N 2.96Å; D451-D454 PolarHBondContact O-N 3.42Å; D451-D454 VanDerWaalsContact O-N 3.15Å; D454-R469 VanDerWaalsContact CG-NE 3.28Å; D454-R469 IonicContact OD1-CZ 3.11Å; D454-R469 IonicContact OD1-NE 3.57Å; D454-R469 PolarHBondContact OD1-NE 3.14Å; D454-R469 IonicContact OD2-CZ 2.68Å; D454-R469 IonicContact OD2-NE 2.7Å; D454-R469 PolarHBondContact OD2-NE 2.94Å; D454-R469 IonicContact OD2-NH2 3.95Å; D454-R469 PolarHBondContact OD2-NH2 2.85Å; D454-M596 HydrophobicContact CB-CB 4.14Å; D454-Q598 PolarHBondContact O-NE2 3.46Å; D454-G614 PolarHBondContact OD1-N 3.38Å
455	H	97	Very high	96.1	Very high	26 Å²	26	22.9 Å²	22.9	12%	0.12	13%	0.133	C	C	.	.	H	α-helix	trans	-85.1	-13.4	175	-71.7	66.4	0	0	0	113.8	P406 L409 D451 A452 L453 V457 M596	P406-H455 HydrophobicContact CB-CB 3.79Å; L409-H455 HydrophobicContact CD1-CB 4.32Å; D451-H455 PolarHBondContact O-N 3.04Å; D451-H455 PolarHBondContact O-ND1 3.22Å; A452-H455 PolarHBondContact O-N 3.11Å; L453-H455 VanDerWaalsContact C-N 3.33Å; H455-V457 PolarHBondContact O-N 2.86Å; H455-M596 WeakPolarHBondContact NE2-CE 3.49Å
456	Y	97.9	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.			trans	-79.1	109.5	-173.4	-155.1	160.6	0	0	0	111.2	V383 Y403 Q404 E405 P406 S433 L435 A452 L453 I458 I465 Q598	V383-Y456 HydrophobicContact CB-CE1 4.47Å; V383-Y456 HydrophobicContact CG1-CE1 4.43Å; V383-Y456 HydrophobicContact CG2-CD1 4.26Å; V383-Y456 HydrophobicContact CG2-CE1 3.84Å; Y403-Y456 HydrophobicContact CD2-CE2 4.27Å; Y403-Y456 AromaticContact CE2-CE2 3.55Å; Y403-Y456 HydrophobicContact CE2-CE2 3.55Å; Y403-Y456 AromaticContact CE2-CZ 3.97Å; Y403-Y456 AromaticContact CZ-CE2 3.94Å; Y403-Y456 PolarHBondContact OH-OH 2.68Å; Q404-Y456 VanDerWaalsContact O-CD2 3.24Å; Q404-Y456 WeakPolarHBondContact O-CD2 3.44Å; E405-Y456 HydrophobicContact CG-CE2 4.12Å; P406-Y456 HydrophobicContact CG-CD1 4.44Å; P406-Y456 HydrophobicContact CG-CG 4.41Å; S433-Y456 WeakPolarHBondContact CB-OH 3.45Å; S433-Y456 PolarHBondContact OG-OH 2.93Å; L435-Y456 HydrophobicContact CB-CE1 4.5Å; L435-Y456 HydrophobicContact CD2-CD1 4.14Å; A452-Y456 WeakPolarHBondContact O-CB 3.47Å; A452-Y456 PolarHBondContact O-N 3.12Å; A452-Y456 VanDerWaalsContact O-N 3.1Å; L453-Y456 PolarHBondContact O-N 3.29Å; Y456-I458 HydrophobicContact CD2-CD1 4.1Å; Y456-I458 HydrophobicContact CD2-CG1 3.8Å; Y456-I458 HydrophobicContact CE2-CD1 3.98Å; Y456-I458 HydrophobicContact CE2-CG1 3.91Å; Y456-I458 HydrophobicContact CG-CD1 4.45Å; Y456-I458 HydrophobicContact CG-CG1 4.46Å; Y456-I465 HydrophobicContact CD1-CD1 4.13Å; Y456-I465 HydrophobicContact CG-CD1 3.96Å; Y456-Q598 PolarHBondContact O-NE2 3Å
457	V	97.6	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.4	178.4	-175	0	0	0	0	109.9	E402 Y403 Q404 H455 R459 P584 L585	E402-V457 HydrophobicContact CG-CG1 3.99Å; Y403-V457 WeakPolarHBondContact CA-O 2.95Å; Q404-V457 HydrophobicContact CB-CB 3.91Å; Q404-V457 HydrophobicContact CB-CG2 4.19Å; Q404-V457 HydrophobicContact CG-CB 4.2Å; Q404-V457 PolarHBondContact N-O 3.48Å; Q404-V457 PolarHBondContact O-N 3.19Å; H455-V457 PolarHBondContact O-N 2.86Å; V457-R459 HydrophobicContact CG1-CG 4.24Å; V457-P584 HydrophobicContact CG1-CB 4.03Å; V457-P584 HydrophobicContact CG1-CG 4.19Å; V457-P584 HydrophobicContact CG2-CB 4.15Å; V457-P584 HydrophobicContact CG2-CG 3.96Å; V457-L585 HydrophobicContact CG2-CD1 4.24Å; V457-L585 HydrophobicContact CG2-CD2 3.58Å; V457-L585 HydrophobicContact CG2-CG 3.74Å
458	I	96.7	Very high	95.9	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.3	172	-53.3	-177.6	0	0	0	107.8	V383 L400 Y403 I432 Y456 V461 H463 I465	V383-I458 HydrophobicContact CG1-CD1 3.6Å; L400-I458 HydrophobicContact CD2-CG2 4.07Å; Y403-I458 HydrophobicContact CD2-CG1 4.1Å; Y403-I458 HydrophobicContact CE2-CD1 4.44Å; Y403-I458 HydrophobicContact CE2-CG1 4.25Å; I432-I458 HydrophobicContact CD1-CD1 4.14Å; I432-I458 HydrophobicContact CD1-CG2 4.18Å; I432-I458 HydrophobicContact CG2-CD1 4.1Å; Y456-I458 HydrophobicContact CD2-CD1 4.1Å; Y456-I458 HydrophobicContact CD2-CG1 3.8Å; Y456-I458 HydrophobicContact CE2-CD1 3.98Å; Y456-I458 HydrophobicContact CE2-CG1 3.91Å; Y456-I458 HydrophobicContact CG-CD1 4.45Å; Y456-I458 HydrophobicContact CG-CG1 4.46Å; I458-V461 HydrophobicContact CG2-CG2 4.19Å; I458-H463 PolarHBondContact O-NE2 3.44Å; I458-I465 HydrophobicContact CD1-CD1 3.61Å; I458-I465 HydrophobicContact CG1-CD1 4.06Å
459	R	94.7	Very high	95.9	Very high	27 Å²	27	17.9 Å²	17.9	10%	0.102	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.9	178.3	-56.2	-65.6	179	-104.5	-0.9	111.2	L400 S401 E402 V457 Q598	L400-R459 CarbonylContact C-O 3.54Å; L400-R459 VanDerWaalsContact CA-O 3.3Å; L400-R459 WeakPolarHBondContact CA-O 3.39Å; S401-R459 PolarHBondContact N-O 3.25Å; S401-R459 VanDerWaalsContact OG-CB 3.22Å; S401-R459 WeakPolarHBondContact OG-CB 3.21Å; E402-R459 HydrophobicContact CB-CB 3.87Å; E402-R459 HydrophobicContact CB-CG 3.8Å; E402-R459 PolarHBondContact O-N 3.31Å; V457-R459 HydrophobicContact CG1-CG 4.24Å; R459-Q598 VanDerWaalsContact NH1-OE1 3.15Å
460	G	89.1	Confident	95.8	Very high	54 Å²	54	19.3 Å²	19.3	56%	0.557	11%	0.112	S	C	*	.	S	Bend	trans	97.2	-23.1	177.3	0	0	0	0	0	114.4	R399 S401	R399-G460 WeakPolarHBondContact O-CA 3.46Å; S401-G460 PolarHBondContact OG-N 3.26Å
461	V	89.5	Confident	95.8	Very high	13 Å²	13	16.4 Å²	16.4	8%	0.079	10%	0.098	C	C	.	.	S	Bend	trans	-127.2	155.5	169.6	-57.6	0	0	0	0	110	A385 L400 I424 I432 I458	A385-V461 HydrophobicContact CB-CG2 4.23Å; L400-V461 HydrophobicContact CD2-CG1 4.29Å; L400-V461 HydrophobicContact CD2-CG2 3.58Å; I424-V461 HydrophobicContact CG1-CG1 4.26Å; I432-V461 HydrophobicContact CD1-CG2 4.26Å; I458-V461 HydrophobicContact CG2-CG2 4.19Å
462	T	91.4	Very high	95.9	Very high	60 Å²	60	13.1 Å²	13.1	37%	0.368	8%	0.08	S	C	.	.			trans	-76.9	145.3	168.2	-48.6	0	0	0	0	109.4	A385 E386 D387 S396	A385-T462 CarbonylContact C-O 3.51Å; A385-T462 WeakPolarHBondContact CA-O 3.34Å; E386-T462 PolarHBondContact N-O 3.41Å; D387-T462 HydrophobicContact CB-CG2 3.65Å; S396-T462 WeakPolarHBondContact CB-O 3.22Å; S396-T462 PolarHBondContact OG-N 3.48Å
463	H	93.8	Very high	95.8	Very high	21 Å²	21	15 Å²	15	10%	0.097	9%	0.092	C	C	.	.			trans	-144.1	160	-174.6	56.5	70.6	0	0	0	112.8	Y384 E386 I432 I458 I465 P466	Y384-H463 VanDerWaalsContact O-CA 3.22Å; Y384-H463 WeakPolarHBondContact O-CA 3.17Å; Y384-H463 WeakPolarHBondContact O-CB 3.27Å; E386-H463 CarbonylContact O-C 3.57Å; E386-H463 WeakPolarHBondContact O-CA 3.33Å; E386-H463 PolarHBondContact O-N 2.85Å; I432-H463 HydrophobicContact CD1-CB 4.36Å; I458-H463 PolarHBondContact O-NE2 3.44Å; H463-I465 PolarHBondContact O-N 3.08Å; H463-P466 WeakPolarHBondContact O-CD 3.49Å
464	N	95.9	Very high	95.8	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	10%	0.101	C	C	.	.	S	Bend	trans	-86	1.9	-173	73.1	-21.5	0	0	0	115.6	R382 V383 Y384 E386 P466 L467 L468	R382-N464 PolarHBondContact O-ND2 3.22Å; V383-N464 WeakPolarHBondContact CA-OD1 3.29Å; Y384-N464 PolarHBondContact N-OD1 3.05Å; Y384-N464 PolarHBondContact O-N 2.71Å; Y384-N464 VanDerWaalsContact O-N 3.08Å; Y384-N464 PolarHBondContact O-OD1 3.35Å; E386-N464 PolarHBondContact O-N 2.69Å; N464-P466 VanDerWaalsContact C-N 3.29Å; N464-P466 VanDerWaalsContact O-N 3.16Å; N464-L467 WeakPolarHBondContact O-CB 3.05Å; N464-L467 PolarHBondContact O-N 3.23Å; N464-L468 PolarHBondContact O-N 2.93Å; N464-L468 VanDerWaalsContact O-N 3.07Å; N464-L468 WeakPolarHBondContact OD1-CD1 3.3Å
465	I	96.3	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-44.3	-45.2	176.1	-70.3	170.6	0	0	0	113.8	V383 L453 Y456 I458 H463 L467 L468 R469	V383-I465 HydrophobicContact CG1-CD1 4.4Å; V383-I465 HydrophobicContact CG1-CG1 4.13Å; L453-I465 HydrophobicContact CB-CG2 4.37Å; L453-I465 HydrophobicContact CD2-CG1 4.31Å; L453-I465 HydrophobicContact CD2-CG2 4.21Å; Y456-I465 HydrophobicContact CD1-CD1 4.13Å; Y456-I465 HydrophobicContact CG-CD1 3.96Å; I458-I465 HydrophobicContact CD1-CD1 3.61Å; I458-I465 HydrophobicContact CG1-CD1 4.06Å; H463-I465 PolarHBondContact O-N 3.08Å; I465-L467 VanDerWaalsContact C-N 3.28Å; I465-L467 PolarHBondContact O-N 2.85Å; I465-L468 PolarHBondContact O-N 3.28Å; I465-R469 WeakPolarHBondContact O-CB 3.16Å; I465-R469 PolarHBondContact O-N 2.97Å
466	P	96.1	Very high	95.8	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-41.4	178.8	-22.7	31	0	0	0	113.1	Y389 H463 N464 E470 F495 G614	Y389-P466 HydrophobicContact CE2-CB 4.46Å; Y389-P466 HydrophobicContact CE2-CG 4.34Å; H463-P466 WeakPolarHBondContact O-CD 3.49Å; N464-P466 VanDerWaalsContact C-N 3.29Å; N464-P466 VanDerWaalsContact O-N 3.16Å; P466-E470 PolarHBondContact O-N 3.49Å; P466-E470 VanDerWaalsContact O-N 3.17Å; P466-F495 HydrophobicContact CB-CE1 3.77Å; P466-F495 HydrophobicContact CB-CZ 3.92Å; P466-F495 WeakPolarHBondContact O-CZ 3.37Å; P466-G614 WeakPolarHBondContact CA-O 3.32Å; P466-G614 VanDerWaalsContact CB-O 3.23Å; P466-G614 WeakPolarHBondContact CB-O 3.37Å; P466-G614 WeakPolarHBondContact CG-O 3.48Å
467	L	96.7	Very high	95.8	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-69.2	-43.9	177.7	173.7	64	0	0	0	111.3	P388 N464 I465 R469 E470 I471 L487 Y491 F495	P388-L467 HydrophobicContact CB-CB 3.71Å; P388-L467 HydrophobicContact CB-CD2 4.16Å; P388-L467 HydrophobicContact CG-CB 4.3Å; N464-L467 WeakPolarHBondContact O-CB 3.05Å; N464-L467 PolarHBondContact O-N 3.23Å; I465-L467 VanDerWaalsContact C-N 3.28Å; I465-L467 PolarHBondContact O-N 2.85Å; L467-R469 VanDerWaalsContact C-N 3.31Å; L467-R469 PolarHBondContact O-N 2.92Å; L467-E470 PolarHBondContact O-N 2.82Å; L467-I471 HydrophobicContact CD1-CD1 4Å; L467-I471 HydrophobicContact CD1-CG1 4.21Å; L467-I471 HydrophobicContact CG-CD1 3.82Å; L467-I471 HydrophobicContact CG-CG1 4.47Å; L467-I471 WeakPolarHBondContact O-CD1 3.28Å; L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.39Å; L467-I471 PolarHBondContact O-N 3.27Å; L467-L487 HydrophobicContact CD1-CD2 4.39Å; L467-Y491 HydrophobicContact CD1-CD2 4.47Å; L467-Y491 HydrophobicContact CD1-CE2 4.01Å; L467-F495 HydrophobicContact CB-CD1 4.42Å; L467-F495 HydrophobicContact CB-CE1 4.38Å; L467-F495 HydrophobicContact CB-CE2 4.49Å; L467-F495 HydrophobicContact CB-CG 4.47Å; L467-F495 HydrophobicContact CB-CZ 4.39Å; L467-F495 HydrophobicContact CD1-CB 4.3Å; L467-F495 HydrophobicContact CD1-CD2 3.71Å; L467-F495 HydrophobicContact CD1-CE2 4.19Å; L467-F495 HydrophobicContact CD1-CG 4.01Å
468	L	98.1	Very high	95.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-46.1	177.1	-64.7	171.4	0	0	0	110.8	V282 V283 V383 L453 N464 I465 E470 I471 I472	V282-L468 HydrophobicContact CG1-CD2 3.58Å; V283-L468 HydrophobicContact CG2-CD2 3.85Å; V383-L468 HydrophobicContact CG2-CD1 4.09Å; L453-L468 HydrophobicContact CD1-CB 4.02Å; L453-L468 HydrophobicContact CD2-CB 4.01Å; L453-L468 HydrophobicContact CD2-CD1 4.16Å; N464-L468 PolarHBondContact O-N 2.93Å; N464-L468 VanDerWaalsContact O-N 3.07Å; N464-L468 WeakPolarHBondContact OD1-CD1 3.3Å; I465-L468 PolarHBondContact O-N 3.28Å; L468-E470 VanDerWaalsContact C-N 3.34Å; L468-E470 PolarHBondContact O-N 3.06Å; L468-I471 PolarHBondContact O-N 3.2Å; L468-I472 VanDerWaalsContact O-CG1 3.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.17Å; L468-I472 PolarHBondContact O-N 3.07Å
469	R	97.3	Very high	95.9	Very high	9 Å²	9	30.9 Å²	30.9	3%	0.034	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-45.9	179.6	-174.2	63.1	170.6	93	3.8	111.6	E450 L453 D454 I465 L467 I472 T473	E450-R469 VanDerWaalsContact CD-NH2 3.34Å; E450-R469 VanDerWaalsContact CG-NH1 3.34Å; E450-R469 VanDerWaalsContact CG-NH2 3.27Å; E450-R469 PolarHBondContact O-NE 2.91Å; E450-R469 IonicContact OE1-CZ 3.09Å; E450-R469 IonicContact OE1-NH1 3.18Å; E450-R469 PolarHBondContact OE1-NH1 2.83Å; E450-R469 IonicContact OE1-NH2 2.64Å; E450-R469 PolarHBondContact OE1-NH2 3.14Å; E450-R469 IonicContact OE2-NH1 3Å; L453-R469 HydrophobicContact CD1-CB 4.27Å; D454-R469 VanDerWaalsContact CG-NE 3.28Å; D454-R469 IonicContact OD1-CZ 3.11Å; D454-R469 IonicContact OD1-NE 3.57Å; D454-R469 PolarHBondContact OD1-NE 3.14Å; D454-R469 IonicContact OD2-CZ 2.68Å; D454-R469 IonicContact OD2-NE 2.7Å; D454-R469 PolarHBondContact OD2-NE 2.94Å; D454-R469 IonicContact OD2-NH2 3.95Å; D454-R469 PolarHBondContact OD2-NH2 2.85Å; I465-R469 WeakPolarHBondContact O-CB 3.16Å; I465-R469 PolarHBondContact O-N 2.97Å; L467-R469 VanDerWaalsContact C-N 3.31Å; L467-R469 PolarHBondContact O-N 2.92Å; R469-I472 PolarHBondContact O-N 2.8Å; R469-T473 PolarHBondContact O-N 2.87Å; R469-T473 PolarHBondContact O-OG1 3.16Å
470	E	96.7	Very high	96	Very high	30 Å²	30	29.8 Å²	29.8	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-41.6	178.3	-166.3	72	-173.1	0	0	112.1	P466 L467 L468 T473 H474 Y491 F495 H498	P466-E470 PolarHBondContact O-N 3.49Å; P466-E470 VanDerWaalsContact O-N 3.17Å; L467-E470 PolarHBondContact O-N 2.82Å; L468-E470 VanDerWaalsContact C-N 3.34Å; L468-E470 PolarHBondContact O-N 3.06Å; E470-T473 PolarHBondContact O-N 3.29Å; E470-T473 PolarHBondContact O-OG1 3.42Å; E470-H474 WeakPolarHBondContact O-CB 3.2Å; E470-H474 PolarHBondContact O-N 2.68Å; E470-Y491 HydrophobicContact CG-CE1 4.31Å; E470-Y491 WeakPolarHBondContact CG-OH 3.48Å; E470-F495 HydrophobicContact CB-CE2 3.81Å; E470-F495 HydrophobicContact CB-CZ 4.42Å; E470-F495 HydrophobicContact CG-CE2 4.05Å; E470-H498 IonicContact OE1-ND1 3.98Å; E470-H498 WeakPolarHBondContact OE2-CB 3.47Å; E470-H498 IonicContact OE2-CE1 2.75Å; E470-H498 IonicContact OE2-CG 3.83Å; E470-H498 IonicContact OE2-ND1 2.77Å; E470-H498 PolarHBondContact OE2-ND1 3.48Å
471	I	97.6	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-48.7	176.6	-69.1	162.2	0	0	0	110.7	I275 V282 V283 L467 L468 T473 H474 F477 F486 L487	I275-I471 HydrophobicContact CG2-CD1 4.11Å; I275-I471 HydrophobicContact CG2-CG2 4.13Å; V282-I471 HydrophobicContact CG1-CD1 4.39Å; V283-I471 HydrophobicContact CG2-CD1 4.46Å; V283-I471 HydrophobicContact CG2-CG2 4.12Å; L467-I471 HydrophobicContact CD1-CD1 4Å; L467-I471 HydrophobicContact CD1-CG1 4.21Å; L467-I471 HydrophobicContact CG-CD1 3.82Å; L467-I471 HydrophobicContact CG-CG1 4.47Å; L467-I471 WeakPolarHBondContact O-CD1 3.28Å; L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.39Å; L467-I471 PolarHBondContact O-N 3.27Å; L468-I471 PolarHBondContact O-N 3.2Å; I471-T473 VanDerWaalsContact C-N 3.25Å; I471-T473 PolarHBondContact O-N 3.39Å; I471-H474 WeakPolarHBondContact O-CB 3.45Å; I471-H474 PolarHBondContact O-N 2.99Å; I471-H474 VanDerWaalsContact O-N 3.09Å; I471-F477 HydrophobicContact CG2-CD2 4.09Å; I471-F477 HydrophobicContact CG2-CE2 4.46Å; I471-F477 HydrophobicContact CG2-CG 4.17Å; I471-F477 WeakPolarHBondContact O-CB 3.49Å; I471-F477 WeakPolarHBondContact O-CD1 3.27Å; I471-F477 WeakPolarHBondContact O-CG 3.21Å; I471-F486 HydrophobicContact CG1-CE1 4.32Å; I471-F486 HydrophobicContact CG2-CE1 4.37Å; I471-L487 HydrophobicContact CD1-CD2 3.73Å; I471-L487 HydrophobicContact CG1-CD2 3.99Å
472	I	97.9	Very high	96.6	Very high	3 Å²	3	31 Å²	31	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-33.6	-174.9	-67	-63.2	0	0	0	111.8	V283 I379 L446 M449 L453 L468 R469 F477	V283-I472 HydrophobicContact CG1-CD1 4.02Å; I379-I472 HydrophobicContact CG2-CD1 3.98Å; L446-I472 HydrophobicContact CD2-CD1 4.35Å; L446-I472 HydrophobicContact CD2-CG2 3.96Å; M449-I472 HydrophobicContact CB-CG2 4.1Å; M449-I472 HydrophobicContact CG-CD1 3.84Å; M449-I472 HydrophobicContact CG-CG1 3.71Å; M449-I472 HydrophobicContact CG-CG2 4.15Å; L453-I472 HydrophobicContact CD1-CG1 4.18Å; L468-I472 VanDerWaalsContact O-CG1 3.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.17Å; L468-I472 PolarHBondContact O-N 3.07Å; R469-I472 PolarHBondContact O-N 2.8Å; I472-F477 HydrophobicContact CD1-CD1 4.35Å; I472-F477 HydrophobicContact CD1-CE1 3.59Å; I472-F477 HydrophobicContact CD1-CZ 4.15Å
473	T	96.8	Very high	96.8	Very high	40 Å²	40	28.5 Å²	28.5	25%	0.245	16%	0.158	C	C	.	.	H	α-helix	trans	-93	-4.5	176.2	45.3	0	0	0	0	114.9	R469 E470 I471 I478	R469-T473 PolarHBondContact O-N 2.87Å; R469-T473 PolarHBondContact O-OG1 3.16Å; E470-T473 PolarHBondContact O-N 3.29Å; E470-T473 PolarHBondContact O-OG1 3.42Å; I471-T473 VanDerWaalsContact C-N 3.25Å; I471-T473 PolarHBondContact O-N 3.39Å; T473-I478 VanDerWaalsContact O-CD1 3.28Å; T473-I478 WeakPolarHBondContact O-CD1 3.3Å
474	H	97.8	Very high	96.8	Very high	39 Å²	39	28.3 Å²	28.3	18%	0.181	16%	0.158	C	C	.	.			trans	-66.4	132.1	-176.9	-170.7	-88	0	0	0	110.6	E470 I471 R476 F477 I478 F486 V490	E470-H474 WeakPolarHBondContact O-CB 3.2Å; E470-H474 PolarHBondContact O-N 2.68Å; I471-H474 WeakPolarHBondContact O-CB 3.45Å; I471-H474 PolarHBondContact O-N 2.99Å; I471-H474 VanDerWaalsContact O-N 3.09Å; H474-R476 VanDerWaalsContact C-N 3.28Å; H474-R476 WeakPolarHBondContact ND1-CB 3.35Å; H474-R476 PolarHBondContact ND1-N 2.86Å; H474-R476 PolarHBondContact O-N 2.83Å; H474-R476 VanDerWaalsContact O-N 3.12Å; H474-F477 HydrophobicContact CB-CB 4.39Å; H474-F477 WeakPolarHBondContact O-CA 3.45Å; H474-F477 WeakPolarHBondContact O-CB 3.21Å; H474-F477 PolarHBondContact O-N 2.9Å; H474-I478 PolarHBondContact O-N 3.41Å; H474-F486 HydrophobicContact CB-CZ 4.12Å; H474-F486 AromaticContact CG-CZ 3.97Å; H474-F486 AromaticContact ND1-CE2 3.96Å; H474-F486 AromaticContact ND1-CZ 3.73Å; H474-V490 WeakPolarHBondContact NE2-CG1 3.32Å
475	P	97.2	Very high	96.6	Very high	98 Å²	98	30 Å²	30	64%	0.636	17%	0.167	S	C	*	.	H	α-helix	trans	-54.1	-38.7	-175.2	-29.9	35.5	0	0	0	114.7	I478 S479	P475-I478 PolarHBondContact O-N 3.03Å; P475-S479 WeakPolarHBondContact O-CB 3.5Å; P475-S479 PolarHBondContact O-N 3.47Å; P475-S479 PolarHBondContact O-OG 3.1Å
476	R	97.1	Very high	96.6	Very high	64 Å²	64	30 Å²	30	24%	0.242	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-35.2	175.8	-72.4	-178.9	69.4	-168.8	2.4	113.2	H474 S479 G480 D481 F486 E489	H474-R476 VanDerWaalsContact C-N 3.28Å; H474-R476 WeakPolarHBondContact ND1-CB 3.35Å; H474-R476 PolarHBondContact ND1-N 2.86Å; H474-R476 PolarHBondContact O-N 2.83Å; H474-R476 VanDerWaalsContact O-N 3.12Å; R476-S479 PolarHBondContact O-OG 3.11Å; R476-S479 VanDerWaalsContact O-OG 3.07Å; R476-G480 CarbonylContact O-C 3.52Å; R476-G480 PolarHBondContact O-N 3.3Å; R476-D481 PolarHBondContact NE-O 2.96Å; R476-D481 IonicContact NE-OD2 3.63Å; R476-D481 PolarHBondContact NE-OD2 3.47Å; R476-D481 PolarHBondContact O-N 2.9Å; R476-F486 HydrophobicContact CB-CE2 3.8Å; R476-E489 IonicContact CZ-OE2 2.82Å; R476-E489 VanDerWaalsContact CZ-OE2 3.28Å; R476-E489 IonicContact NH1-OE2 3.92Å; R476-E489 PolarHBondContact NH1-OE2 3.19Å; R476-E489 IonicContact NH2-OE2 3.55Å; R476-E489 PolarHBondContact NH2-OE2 2.59Å
477	F	98.1	Very high	96.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-72.6	-41.2	175.8	-172.9	-102.7	0	0	0	110.8	I275 V283 R442 L446 I471 I472 H474 S479 G480 I482 F486	I275-F477 HydrophobicContact CD1-CD2 4.06Å; I275-F477 HydrophobicContact CD1-CE2 4.36Å; I275-F477 HydrophobicContact CG1-CD2 3.85Å; I275-F477 HydrophobicContact CG1-CE2 3.67Å; V283-F477 HydrophobicContact CG1-CE2 4.1Å; V283-F477 HydrophobicContact CG1-CZ 3.65Å; R442-F477 PolarHBondContact NH1-O 2.8Å; R442-F477 PolarHBondContact NH2-O 2.8Å; L446-F477 HydrophobicContact CD2-CD1 3.9Å; L446-F477 HydrophobicContact CD2-CE1 3.45Å; L446-F477 VanDerWaalsContact CD2-CE1 3.45Å; I471-F477 HydrophobicContact CG2-CD2 4.09Å; I471-F477 HydrophobicContact CG2-CE2 4.46Å; I471-F477 HydrophobicContact CG2-CG 4.17Å; I471-F477 WeakPolarHBondContact O-CB 3.49Å; I471-F477 WeakPolarHBondContact O-CD1 3.27Å; I471-F477 WeakPolarHBondContact O-CG 3.21Å; I472-F477 HydrophobicContact CD1-CD1 4.35Å; I472-F477 HydrophobicContact CD1-CE1 3.59Å; I472-F477 HydrophobicContact CD1-CZ 4.15Å; H474-F477 HydrophobicContact CB-CB 4.39Å; H474-F477 WeakPolarHBondContact O-CA 3.45Å; H474-F477 WeakPolarHBondContact O-CB 3.21Å; H474-F477 PolarHBondContact O-N 2.9Å; F477-S479 PolarHBondContact O-N 3.04Å; F477-G480 PolarHBondContact O-N 3.33Å; F477-G480 VanDerWaalsContact O-N 3.11Å; F477-I482 HydrophobicContact CB-CG2 4.5Å; F477-I482 HydrophobicContact CD2-CD1 4.45Å; F477-I482 HydrophobicContact CD2-CG2 4.03Å; F477-I482 HydrophobicContact CE2-CD1 4.35Å; F477-F486 HydrophobicContact CB-CE2 4.37Å; F477-F486 HydrophobicContact CB-CZ 4.23Å
478	I	98.1	Very high	96.2	Very high	88 Å²	88	33.7 Å²	33.7	45%	0.451	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-43.8	175.8	-64.1	172.1	0	0	0	111.3	R442 T473 H474 P475 G480	R442-I478 PolarHBondContact NH1-O 3.37Å; T473-I478 VanDerWaalsContact O-CD1 3.28Å; T473-I478 WeakPolarHBondContact O-CD1 3.3Å; H474-I478 PolarHBondContact O-N 3.41Å; P475-I478 PolarHBondContact O-N 3.03Å; I478-G480 PolarHBondContact O-N 3.05Å
479	S	97.5	Very high	96	Very high	86 Å²	86	37.5 Å²	37.5	60%	0.601	21%	0.209	S	C	*	.	H	α-helix	trans	-71.3	-16.5	177.1	68.7	0	0	0	0	113.5	P475 R476 F477 D481	P475-S479 WeakPolarHBondContact O-CB 3.5Å; P475-S479 PolarHBondContact O-N 3.47Å; P475-S479 PolarHBondContact O-OG 3.1Å; R476-S479 PolarHBondContact O-OG 3.11Å; R476-S479 VanDerWaalsContact O-OG 3.07Å; F477-S479 PolarHBondContact O-N 3.04Å; S479-D481 VanDerWaalsContact C-N 3.31Å; S479-D481 WeakPolarHBondContact OG-CB 3.42Å; S479-D481 PolarHBondContact OG-N 2.82Å
480	G	95.9	Very high	95.9	Very high	4 Å²	4	38.6 Å²	38.6	4%	0.041	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	9.1	-173.3	0	0	0	0	0	113.4	R251 R476 F477 I478 I482	R251-G480 PolarHBondContact NH1-O 2.8Å; R251-G480 PolarHBondContact NH2-O 3.05Å; R476-G480 CarbonylContact O-C 3.52Å; R476-G480 PolarHBondContact O-N 3.3Å; F477-G480 PolarHBondContact O-N 3.33Å; F477-G480 VanDerWaalsContact O-N 3.11Å; I478-G480 PolarHBondContact O-N 3.05Å; G480-I482 VanDerWaalsContact C-N 3.32Å; G480-I482 PolarHBondContact O-N 3.24Å
481	D	95.8	Very high	95.7	Very high	87 Å²	87	38.3 Å²	38.3	47%	0.465	21%	0.214	S	C	.	.			trans	-78.6	76.7	174.2	179	36.5	0	0	0	111.5	R476 S479	R476-D481 PolarHBondContact NE-O 2.96Å; R476-D481 IonicContact NE-OD2 3.63Å; R476-D481 PolarHBondContact NE-OD2 3.47Å; R476-D481 PolarHBondContact O-N 2.9Å; S479-D481 VanDerWaalsContact C-N 3.31Å; S479-D481 WeakPolarHBondContact OG-CB 3.42Å; S479-D481 PolarHBondContact OG-N 2.82Å
482	I	96.6	Very high	95.3	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	24%	0.244	C	C	.	.			trans	-128.2	156.4	-174	65.4	175.7	0	0	0	111.5	R251 E272 I275 F477 G480 F486	R251-I482 PolarHBondContact NE-O 3.36Å; R251-I482 PolarHBondContact NH2-O 3.37Å; E272-I482 HydrophobicContact CG-CD1 4.38Å; I275-I482 HydrophobicContact CD1-CB 3.96Å; I275-I482 HydrophobicContact CD1-CD1 4.17Å; I275-I482 HydrophobicContact CD1-CG2 4Å; I275-I482 HydrophobicContact CG1-CD1 4.3Å; F477-I482 HydrophobicContact CB-CG2 4.5Å; F477-I482 HydrophobicContact CD2-CD1 4.45Å; F477-I482 HydrophobicContact CD2-CG2 4.03Å; F477-I482 HydrophobicContact CE2-CD1 4.35Å; G480-I482 VanDerWaalsContact C-N 3.32Å; G480-I482 PolarHBondContact O-N 3.24Å; I482-F486 HydrophobicContact CB-CD2 4.25Å; I482-F486 HydrophobicContact CG2-CD2 3.8Å; I482-F486 HydrophobicContact CG2-CE2 3.98Å
483	S	95.5	Very high	94.8	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.042	28%	0.276	C	S	.	.			trans	-146.8	173.6	174.4	73.4	0	0	0	0	109	P250 N485 F486	P250-S483 WeakPolarHBondContact O-CA 3.3Å; S483-N485 PolarHBondContact O-N 3.24Å; S483-N485 VanDerWaalsContact O-N 3.08Å; S483-N485 PolarHBondContact OG-N 3.33Å; S483-N485 VanDerWaalsContact OG-N 3.11Å; S483-F486 WeakPolarHBondContact O-CB 3.3Å; S483-F486 PolarHBondContact O-N 2.91Å; S483-F486 VanDerWaalsContact O-N 3.1Å
484	T	93.6	Very high	94.4	Very high	17 Å²	17	48 Å²	48	10%	0.104	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.3	171.2	56.5	0	0	0	0	114.2	P250 H252 S274	P250-T484 WeakPolarHBondContact CD-OG1 3.37Å; P250-T484 HydrophobicContact CG-CG2 4.34Å; P250-T484 WeakPolarHBondContact CG-OG1 3.43Å; P250-T484 PolarHBondContact O-N 2.92Å; P250-T484 PolarHBondContact O-OG1 3.22Å; H252-T484 HydrophobicContact CB-CG2 3.95Å; S274-T484 WeakPolarHBondContact O-CA 3.2Å
485	N	92.3	Very high	94.1	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.214	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	6.1	178.7	-63.2	-26.8	0	0	0	112.9	N249 S483 L487 P488 E489	N249-N485 PolarHBondContact OD1-ND2 3.23Å; S483-N485 PolarHBondContact O-N 3.24Å; S483-N485 VanDerWaalsContact O-N 3.08Å; S483-N485 PolarHBondContact OG-N 3.33Å; S483-N485 VanDerWaalsContact OG-N 3.11Å; N485-L487 PolarHBondContact O-N 3.18Å; N485-P488 VanDerWaalsContact O-CD 3.26Å; N485-P488 WeakPolarHBondContact O-CD 3.5Å; N485-E489 HydrophobicContact CB-CG 4.28Å; N485-E489 WeakPolarHBondContact CB-OE1 3.43Å; N485-E489 WeakPolarHBondContact O-CB 3.3Å; N485-E489 VanDerWaalsContact O-CG 3.3Å; N485-E489 WeakPolarHBondContact O-CG 3.39Å; N485-E489 PolarHBondContact O-N 3.32Å
486	F	95.6	Very high	93.8	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-51.7	-50.9	-175.8	178.2	-86.6	0	0	0	113.4	I275 I471 H474 R476 F477 I482 S483 E489 V490	I275-F486 HydrophobicContact CD1-CB 3.65Å; I275-F486 HydrophobicContact CD1-CD1 3.66Å; I275-F486 HydrophobicContact CD1-CD2 3.96Å; I275-F486 HydrophobicContact CD1-CE1 4.28Å; I275-F486 HydrophobicContact CD1-CE2 4.5Å; I275-F486 HydrophobicContact CD1-CG 3.48Å; I275-F486 VanDerWaalsContact CD1-CG 3.48Å; I471-F486 HydrophobicContact CG1-CE1 4.32Å; I471-F486 HydrophobicContact CG2-CE1 4.37Å; H474-F486 HydrophobicContact CB-CZ 4.12Å; H474-F486 AromaticContact CG-CZ 3.97Å; H474-F486 AromaticContact ND1-CE2 3.96Å; H474-F486 AromaticContact ND1-CZ 3.73Å; R476-F486 HydrophobicContact CB-CE2 3.8Å; F477-F486 HydrophobicContact CB-CE2 4.37Å; F477-F486 HydrophobicContact CB-CZ 4.23Å; I482-F486 HydrophobicContact CB-CD2 4.25Å; I482-F486 HydrophobicContact CG2-CD2 3.8Å; I482-F486 HydrophobicContact CG2-CE2 3.98Å; S483-F486 WeakPolarHBondContact O-CB 3.3Å; S483-F486 PolarHBondContact O-N 2.91Å; S483-F486 VanDerWaalsContact O-N 3.1Å; F486-E489 PolarHBondContact O-N 2.96Å; F486-V490 HydrophobicContact CD1-CG2 4.24Å; F486-V490 HydrophobicContact CD2-CG2 4.1Å; F486-V490 HydrophobicContact CE1-CB 4.44Å; F486-V490 HydrophobicContact CE1-CG2 4.04Å; F486-V490 HydrophobicContact CE2-CG2 3.92Å; F486-V490 HydrophobicContact CG-CG2 4.27Å; F486-V490 HydrophobicContact CZ-CG2 3.88Å; F486-V490 WeakPolarHBondContact O-CB 3.22Å; F486-V490 VanDerWaalsContact O-CG2 3.24Å; F486-V490 WeakPolarHBondContact O-CG2 3.47Å; F486-V490 PolarHBondContact O-N 3.47Å
487	L	93.7	Very high	93.6	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-48.7	-176.5	-64.6	178.2	0	0	0	112.7	I275 R277 V282 L467 I471 N485 E489 V490 Y491	I275-L487 HydrophobicContact CG2-CG 4.48Å; R277-L487 HydrophobicContact CB-CD1 3.95Å; V282-L487 HydrophobicContact CG2-CD1 4.48Å; L467-L487 HydrophobicContact CD1-CD2 4.39Å; I471-L487 HydrophobicContact CD1-CD2 3.73Å; I471-L487 HydrophobicContact CG1-CD2 3.99Å; N485-L487 PolarHBondContact O-N 3.18Å; L487-E489 VanDerWaalsContact C-N 3.28Å; L487-E489 PolarHBondContact O-N 3Å; L487-V490 PolarHBondContact O-N 3.3Å; L487-Y491 HydrophobicContact CD2-CD2 4.04Å; L487-Y491 HydrophobicContact CD2-CE2 3.94Å; L487-Y491 PolarHBondContact O-N 2.93Å
488	P	91.4	Very high	93.4	Very high	82 Å²	82	47.2 Å²	47.2	53%	0.532	27%	0.265	S	S	.	.	H	α-helix	trans	-57.2	-36.2	172.5	-26.6	32.8	0	0	0	114.6	N485 P492	N485-P488 VanDerWaalsContact O-CD 3.26Å; N485-P488 WeakPolarHBondContact O-CD 3.5Å; P488-P492 VanDerWaalsContact O-CA 3.3Å; P488-P492 WeakPolarHBondContact O-CA 3.3Å
489	E	93.5	Very high	93.1	Very high	81 Å²	81	49.4 Å²	49.4	38%	0.379	27%	0.274	S	S	.	.	H	α-helix	trans	-74.3	-42.6	-180	-74.5	173.7	-167.8	0	0	113	N249 R476 N485 F486 L487	N249-E489 PolarHBondContact OD1-OE1 3.36Å; R476-E489 IonicContact CZ-OE2 2.82Å; R476-E489 VanDerWaalsContact CZ-OE2 3.28Å; R476-E489 IonicContact NH1-OE2 3.92Å; R476-E489 PolarHBondContact NH1-OE2 3.19Å; R476-E489 IonicContact NH2-OE2 3.55Å; R476-E489 PolarHBondContact NH2-OE2 2.59Å; N485-E489 HydrophobicContact CB-CG 4.28Å; N485-E489 WeakPolarHBondContact CB-OE1 3.43Å; N485-E489 WeakPolarHBondContact O-CB 3.3Å; N485-E489 VanDerWaalsContact O-CG 3.3Å; N485-E489 WeakPolarHBondContact O-CG 3.39Å; N485-E489 PolarHBondContact O-N 3.32Å; F486-E489 PolarHBondContact O-N 2.96Å; L487-E489 VanDerWaalsContact C-N 3.28Å; L487-E489 PolarHBondContact O-N 3Å
490	V	94.2	Very high	93	Very high	31 Å²	31	47.5 Å²	47.5	19%	0.188	26%	0.257	C	S	.	.	H	α-helix	trans	-78.2	-33.5	-177	175.2	0	0	0	0	111	H474 F486 L487 P492	H474-V490 WeakPolarHBondContact NE2-CG1 3.32Å; F486-V490 HydrophobicContact CD1-CG2 4.24Å; F486-V490 HydrophobicContact CD2-CG2 4.1Å; F486-V490 HydrophobicContact CE1-CB 4.44Å; F486-V490 HydrophobicContact CE1-CG2 4.04Å; F486-V490 HydrophobicContact CE2-CG2 3.92Å; F486-V490 HydrophobicContact CG-CG2 4.27Å; F486-V490 HydrophobicContact CZ-CG2 3.88Å; F486-V490 WeakPolarHBondContact O-CB 3.22Å; F486-V490 VanDerWaalsContact O-CG2 3.24Å; F486-V490 WeakPolarHBondContact O-CG2 3.47Å; F486-V490 PolarHBondContact O-N 3.47Å; L487-V490 PolarHBondContact O-N 3.3Å; V490-P492 VanDerWaalsContact C-CD 3.47Å; V490-P492 WeakPolarHBondContact O-CD 3.07Å
491	Y	92.4	Very high	92.9	Very high	24 Å²	24	51.8 Å²	51.8	9%	0.094	28%	0.279	C	S	.	.			trans	-128.7	64.4	-176.9	-49.2	-74.4	0	0	0	111.4	F392 L467 E470 L487 D493 G494 F495	F392-Y491 HydrophobicContact CE1-CD2 4.24Å; F392-Y491 HydrophobicContact CE1-CG 4.2Å; F392-Y491 WeakPolarHBondContact CE2-O 3.33Å; F392-Y491 HydrophobicContact CZ-CG 4.3Å; F392-Y491 WeakPolarHBondContact CZ-O 3.43Å; L467-Y491 HydrophobicContact CD1-CD2 4.47Å; L467-Y491 HydrophobicContact CD1-CE2 4.01Å; E470-Y491 HydrophobicContact CG-CE1 4.31Å; E470-Y491 WeakPolarHBondContact CG-OH 3.48Å; L487-Y491 HydrophobicContact CD2-CD2 4.04Å; L487-Y491 HydrophobicContact CD2-CE2 3.94Å; L487-Y491 PolarHBondContact O-N 2.93Å; Y491-D493 PolarHBondContact O-N 2.92Å; Y491-G494 PolarHBondContact O-N 3Å; Y491-F495 HydrophobicContact CD1-CD2 4.3Å; Y491-F495 AromaticContact CE1-CD2 3.98Å; Y491-F495 HydrophobicContact CE1-CD2 3.98Å
492	P	90.8	Very high	92.7	Very high	96 Å²	96	50.9 Å²	50.9	62%	0.623	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-32	-177	24.7	-34.6	0	0	0	113	P488 V490	P488-P492 VanDerWaalsContact O-CA 3.3Å; P488-P492 WeakPolarHBondContact O-CA 3.3Å; V490-P492 VanDerWaalsContact C-CD 3.47Å; V490-P492 WeakPolarHBondContact O-CD 3.07Å
493	D	87.8	Confident	92.5	Very high	128 Å²	128	55.7 Å²	55.7	68%	0.684	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	20.6	-176.8	-58.3	-38.5	0	0	0	113.6	Y491	Y491-D493 PolarHBondContact O-N 2.92Å
494	G	87.6	Confident	92.4	Very high	23 Å²	23	55.8 Å²	55.8	24%	0.237	31%	0.306	C	S	.	.			trans	93.9	158.6	-172.3	0	0	0	0	0	113.6	Y491	Y491-G494 PolarHBondContact O-N 3Å
495	F	91.5	Very high	92.5	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.026	31%	0.309	C	S	.	.			trans	-76.3	126.7	170.2	175	-106.7	0	0	0	109.9	P388 Y389 F392 P466 L467 E470 Y491 G497	P388-F495 HydrophobicContact CB-CD1 3.69Å; P388-F495 HydrophobicContact CB-CE1 4.24Å; P388-F495 HydrophobicContact CB-CG 4.38Å; P388-F495 HydrophobicContact CG-CD1 3.94Å; P388-F495 HydrophobicContact CG-CE1 4.07Å; Y389-F495 HydrophobicContact CD1-CD1 4.08Å; Y389-F495 HydrophobicContact CD1-CE1 4.32Å; Y389-F495 AromaticContact CE1-CD1 3.99Å; Y389-F495 HydrophobicContact CE1-CD1 3.99Å; Y389-F495 AromaticContact CE1-CE1 3.78Å; Y389-F495 HydrophobicContact CE1-CE1 3.78Å; Y389-F495 HydrophobicContact CE2-CE1 4.23Å; Y389-F495 HydrophobicContact CG-CD1 4.44Å; Y389-F495 AromaticContact CZ-CE1 3.71Å; F392-F495 HydrophobicContact CD1-CB 4.19Å; F392-F495 HydrophobicContact CE1-CB 3.7Å; F392-F495 HydrophobicContact CZ-CB 4.44Å; F392-F495 VanDerWaalsContact CZ-N 3.27Å; P466-F495 HydrophobicContact CB-CE1 3.77Å; P466-F495 HydrophobicContact CB-CZ 3.92Å; P466-F495 WeakPolarHBondContact O-CZ 3.37Å; L467-F495 HydrophobicContact CB-CD1 4.42Å; L467-F495 HydrophobicContact CB-CE1 4.38Å; L467-F495 HydrophobicContact CB-CE2 4.49Å; L467-F495 HydrophobicContact CB-CG 4.47Å; L467-F495 HydrophobicContact CB-CZ 4.39Å; L467-F495 HydrophobicContact CD1-CB 4.3Å; L467-F495 HydrophobicContact CD1-CD2 3.71Å; L467-F495 HydrophobicContact CD1-CE2 4.19Å; L467-F495 HydrophobicContact CD1-CG 4.01Å; E470-F495 HydrophobicContact CB-CE2 3.81Å; E470-F495 HydrophobicContact CB-CZ 4.42Å; E470-F495 HydrophobicContact CG-CE2 4.05Å; Y491-F495 HydrophobicContact CD1-CD2 4.3Å; Y491-F495 AromaticContact CE1-CD2 3.98Å; Y491-F495 HydrophobicContact CE1-CD2 3.98Å; F495-G497 VanDerWaalsContact CZ-CA 3.42Å
496	K	91	Very high	92.7	Very high	138 Å²	138	57.5 Å²	57.5	60%	0.6	31%	0.311	S	S	*	.			trans	-113	11.4	-175.2	-61.7	-179.3	-176.1	170.3	0	113.4	Q499	K496-Q499 PolarHBondContact O-NE2 3.28Å
497	G	92.3	Very high	92.6	Very high	6 Å²	6	57.9 Å²	57.9	6%	0.062	31%	0.313	C	S	.	.			trans	78.3	170.5	-170.7	0	0	0	0	0	112.5	F495 Q499	F495-G497 VanDerWaalsContact CZ-CA 3.42Å; G497-Q499 PolarHBondContact O-N 2.99Å; G497-Q499 PolarHBondContact O-NE2 3.47Å
498	H	94.1	Very high	92.8	Very high	36 Å²	36	57.7 Å²	57.7	17%	0.167	31%	0.312	C	S	.	.			trans	-60.4	131.6	175.6	-172.4	70.9	0	0	0	110.8	E470 T615	E470-H498 IonicContact OE1-ND1 3.98Å; E470-H498 WeakPolarHBondContact OE2-CB 3.47Å; E470-H498 IonicContact OE2-CE1 2.75Å; E470-H498 IonicContact OE2-CG 3.83Å; E470-H498 IonicContact OE2-ND1 2.77Å; E470-H498 PolarHBondContact OE2-ND1 3.48Å; H498-T615 HydrophobicContact CB-CG2 4.39Å; H498-T615 WeakPolarHBondContact CB-OG1 3.23Å; H498-T615 PolarHBondContact N-OG1 3.08Å
499	Q	93	Very high	93	Very high	134 Å²	134	53.9 Å²	53.9	63%	0.626	29%	0.287	S	S	*	.			trans	-93	115.3	177.6	-59.3	-56.2	-61.1	0	0	109.4	K496 G497 D501	K496-Q499 PolarHBondContact O-NE2 3.28Å; G497-Q499 PolarHBondContact O-N 2.99Å; G497-Q499 PolarHBondContact O-NE2 3.47Å; Q499-D501 PolarHBondContact O-N 3.23Å
500	L	93.8	Very high	93.2	Very high	46 Å²	46	50 Å²	50	24%	0.241	27%	0.269	C	S	.	.			trans	-69.4	130.2	-179.6	-62.1	169.6	0	0	0	110.6	S504 C505 L508 L548 Y612 F617	L500-S504 WeakPolarHBondContact CA-OG 3.45Å; L500-C505 HydrophobicContact CB-CB 4.09Å; L500-C505 HydrophobicContact CD1-CB 4.44Å; L500-L508 HydrophobicContact CD1-CD2 3.66Å; L500-L548 HydrophobicContact CD1-CD2 3.99Å; L500-Y612 HydrophobicContact CD2-CD1 4.04Å; L500-Y612 HydrophobicContact CD2-CE1 4.07Å; L500-F617 HydrophobicContact CD1-CD1 3.95Å; L500-F617 HydrophobicContact CD1-CE1 3.47Å; L500-F617 VanDerWaalsContact CD1-CE1 3.47Å; L500-F617 HydrophobicContact CD1-CZ 3.84Å; L500-F617 HydrophobicContact CD2-CE1 4.23Å; L500-F617 HydrophobicContact CD2-CE2 4.17Å; L500-F617 HydrophobicContact CD2-CZ 3.69Å; L500-F617 HydrophobicContact CG-CE1 3.71Å; L500-F617 HydrophobicContact CG-CZ 3.65Å
501	D	93.6	Very high	93.2	Very high	95 Å²	95	48.6 Å²	48.6	51%	0.508	26%	0.26	S	S	.	.			trans	-84.6	-179.7	163.2	68.2	36.3	0	0	0	110.2	Q499 E503 S504 C505	Q499-D501 PolarHBondContact O-N 3.23Å; D501-E503 PolarHBondContact O-N 3.48Å; D501-E503 WeakPolarHBondContact OD1-CA 3.13Å; D501-E503 WeakPolarHBondContact OD1-CB 3.43Å; D501-E503 PolarHBondContact OD1-N 2.98Å; D501-S504 PolarHBondContact N-OG 3.39Å; D501-S504 PolarHBondContact OD1-N 2.66Å; D501-S504 PolarHBondContact OD1-OG 2.93Å; D501-C505 WeakPolarHBondContact O-CB 3.42Å; D501-C505 PolarHBondContact O-N 2.81Å
502	A	92.6	Very high	93.4	Very high	67 Å²	67	47.4 Å²	47.4	55%	0.554	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-31.2	-177.9	0	0	0	0	0	112.9	R506	A502-R506 WeakPolarHBondContact O-CG 3.49Å; A502-R506 PolarHBondContact O-N 2.93Å; A502-R506 PolarHBondContact O-NE 2.94Å; A502-R506 PolarHBondContact O-NH1 2.94Å; A502-R506 VanDerWaalsContact O-NH1 3.11Å
503	E	93	Very high	93.7	Very high	108 Å²	108	42.9 Å²	42.9	51%	0.505	23%	0.226	S	C	.	.	H	α-helix	trans	-78	-53.2	179.5	-175.4	170.6	-166.7	0	0	111.1	D501 C505 R506 E507	D501-E503 PolarHBondContact O-N 3.48Å; D501-E503 WeakPolarHBondContact OD1-CA 3.13Å; D501-E503 WeakPolarHBondContact OD1-CB 3.43Å; D501-E503 PolarHBondContact OD1-N 2.98Å; E503-C505 VanDerWaalsContact C-N 3.25Å; E503-C505 PolarHBondContact O-N 2.86Å; E503-R506 VanDerWaalsContact CA-NH2 3.34Å; E503-R506 WeakPolarHBondContact O-CA 3.39Å; E503-R506 WeakPolarHBondContact O-CB 3.28Å; E503-R506 PolarHBondContact O-N 3.44Å; E503-E507 WeakPolarHBondContact O-CG 3.4Å; E503-E507 PolarHBondContact O-N 3.49Å
504	S	93.6	Very high	94	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-31.5	179.2	63.5	0	0	0	0	112.3	L500 D501 E507 L508	L500-S504 WeakPolarHBondContact CA-OG 3.45Å; D501-S504 PolarHBondContact N-OG 3.39Å; D501-S504 PolarHBondContact OD1-N 2.66Å; D501-S504 PolarHBondContact OD1-OG 2.93Å; S504-E507 PolarHBondContact O-N 2.77Å; S504-L508 WeakPolarHBondContact O-CB 3.24Å; S504-L508 PolarHBondContact O-N 3.3Å
505	C	95.3	Very high	94.4	Very high	25 Å²	25	35.7 Å²	35.7	17%	0.169	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-47.6	169.1	-175.7	0	0	0	0	111.7	L500 D501 E503 E507 L508 L509	L500-C505 HydrophobicContact CB-CB 4.09Å; L500-C505 HydrophobicContact CD1-CB 4.44Å; D501-C505 WeakPolarHBondContact O-CB 3.42Å; D501-C505 PolarHBondContact O-N 2.81Å; E503-C505 VanDerWaalsContact C-N 3.25Å; E503-C505 PolarHBondContact O-N 2.86Å; C505-E507 PolarHBondContact O-N 3.46Å; C505-L508 PolarHBondContact O-N 2.99Å; C505-L509 VanDerWaalsContact O-CG 3.24Å; C505-L509 WeakPolarHBondContact O-CG 3.18Å; C505-L509 PolarHBondContact O-N 2.85Å
506	R	94.8	Very high	94.6	Very high	68 Å²	68	37.3 Å²	37.3	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-42.8	176.1	-75.8	-174.6	-59.9	-91.8	-2.3	112.1	A502 E503 L508 L509 A510 A568 V573	A502-R506 WeakPolarHBondContact O-CG 3.49Å; A502-R506 PolarHBondContact O-N 2.93Å; A502-R506 PolarHBondContact O-NE 2.94Å; A502-R506 PolarHBondContact O-NH1 2.94Å; A502-R506 VanDerWaalsContact O-NH1 3.11Å; E503-R506 VanDerWaalsContact CA-NH2 3.34Å; E503-R506 WeakPolarHBondContact O-CA 3.39Å; E503-R506 WeakPolarHBondContact O-CB 3.28Å; E503-R506 PolarHBondContact O-N 3.44Å; R506-L508 VanDerWaalsContact C-N 3.33Å; R506-L508 PolarHBondContact O-N 3.41Å; R506-L509 PolarHBondContact O-N 2.9Å; R506-A510 VanDerWaalsContact O-CB 3.27Å; R506-A510 WeakPolarHBondContact O-CB 3.35Å; R506-A510 PolarHBondContact O-N 2.96Å; R506-A568 VanDerWaalsContact CD-O 3.22Å; R506-A568 WeakPolarHBondContact CD-O 3.27Å; R506-A568 WeakPolarHBondContact CG-O 3.37Å; R506-V573 HydrophobicContact CB-CG2 4Å
507	E	95.4	Very high	94.7	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-44.4	176.9	-66.6	-167.5	165.2	0	0	111.5	E503 S504 C505 S511 V590 R595 Y612	E503-E507 WeakPolarHBondContact O-CG 3.4Å; E503-E507 PolarHBondContact O-N 3.49Å; S504-E507 PolarHBondContact O-N 2.77Å; C505-E507 PolarHBondContact O-N 3.46Å; E507-S511 VanDerWaalsContact O-CB 3.29Å; E507-S511 WeakPolarHBondContact O-CB 3.29Å; E507-S511 PolarHBondContact O-N 3.46Å; E507-S511 PolarHBondContact O-OG 3.47Å; E507-V590 HydrophobicContact CB-CG1 3.93Å; E507-V590 HydrophobicContact CG-CG1 3.63Å; E507-R595 IonicContact OE1-NH2 2.75Å; E507-R595 IonicContact OE2-CZ 3.5Å; E507-R595 IonicContact OE2-NE 2.69Å; E507-R595 PolarHBondContact OE2-NE 2.79Å; E507-R595 IonicContact OE2-NH2 3.58Å; E507-Y612 PolarHBondContact OE2-OH 2.85Å
508	L	96.1	Very high	94.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-48.5	177.7	178.4	63.5	0	0	0	112	L500 S504 C505 R506 A510 S511 A512 L548 L610 Y612 F617 L619	L500-L508 HydrophobicContact CD1-CD2 3.66Å; S504-L508 WeakPolarHBondContact O-CB 3.24Å; S504-L508 PolarHBondContact O-N 3.3Å; C505-L508 PolarHBondContact O-N 2.99Å; R506-L508 VanDerWaalsContact C-N 3.33Å; R506-L508 PolarHBondContact O-N 3.41Å; L508-A510 VanDerWaalsContact C-N 3.32Å; L508-A510 PolarHBondContact O-N 3.35Å; L508-S511 PolarHBondContact O-N 3.39Å; L508-A512 VanDerWaalsContact O-CB 3.29Å; L508-A512 WeakPolarHBondContact O-CB 3.15Å; L508-A512 PolarHBondContact O-N 2.93Å; L508-L548 HydrophobicContact CD2-CD1 4.41Å; L508-L548 HydrophobicContact CD2-CD2 4.19Å; L508-L610 HydrophobicContact CD1-CD1 4.3Å; L508-Y612 HydrophobicContact CB-CD1 3.97Å; L508-Y612 HydrophobicContact CB-CE1 4.15Å; L508-Y612 HydrophobicContact CD1-CD1 4.05Å; L508-Y612 HydrophobicContact CD1-CG 4.12Å; L508-Y612 HydrophobicContact CD2-CD1 4.48Å; L508-Y612 HydrophobicContact CG-CD1 4.38Å; L508-F617 HydrophobicContact CD1-CD2 4.43Å; L508-F617 HydrophobicContact CD2-CB 3.74Å; L508-F617 HydrophobicContact CD2-CD1 3.91Å; L508-F617 HydrophobicContact CD2-CD2 3.73Å; L508-F617 HydrophobicContact CD2-CE1 4.48Å; L508-F617 HydrophobicContact CD2-CE2 4.31Å; L508-F617 HydrophobicContact CD2-CG 3.49Å; L508-F617 VanDerWaalsContact CD2-CG 3.49Å; L508-L619 HydrophobicContact CD1-CD1 4.36Å; L508-L619 HydrophobicContact CD2-CD2 4.4Å; L508-L619 HydrophobicContact CG-CD2 4.17Å
509	L	96.8	Very high	94.6	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-58.6	-45.7	178.3	-68	174.2	0	0	0	110.9	C505 R506 A512 A513 V546 L548 H553 A568 L619	C505-L509 VanDerWaalsContact O-CG 3.24Å; C505-L509 WeakPolarHBondContact O-CG 3.18Å; C505-L509 PolarHBondContact O-N 2.85Å; R506-L509 PolarHBondContact O-N 2.9Å; L509-A512 PolarHBondContact O-N 3.43Å; L509-A513 WeakPolarHBondContact O-CB 2.71Å; L509-A513 PolarHBondContact O-N 2.88Å; L509-V546 HydrophobicContact CD2-CB 3.91Å; L509-V546 HydrophobicContact CD2-CG1 3.42Å; L509-V546 VanDerWaalsContact CD2-CG1 3.42Å; L509-L548 HydrophobicContact CD2-CB 4.35Å; L509-L548 HydrophobicContact CD2-CD2 4.23Å; L509-H553 HydrophobicContact CD1-CB 3.96Å; L509-H553 HydrophobicContact CD2-CB 4.44Å; L509-A568 HydrophobicContact CB-CB 4.41Å; L509-L619 HydrophobicContact CD2-CD2 4.26Å
510	A	96.5	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-44.8	179.1	0	0	0	0	0	112.5	R506 L508 A513 A514 V566 V573 V575	R506-A510 VanDerWaalsContact O-CB 3.27Å; R506-A510 WeakPolarHBondContact O-CB 3.35Å; R506-A510 PolarHBondContact O-N 2.96Å; L508-A510 VanDerWaalsContact C-N 3.32Å; L508-A510 PolarHBondContact O-N 3.35Å; A510-A513 PolarHBondContact O-N 2.86Å; A510-A514 WeakPolarHBondContact O-CB 3.39Å; A510-A514 PolarHBondContact O-N 2.96Å; A510-V566 HydrophobicContact CB-CB 3.72Å; A510-V566 HydrophobicContact CB-CG1 3.98Å; A510-V566 HydrophobicContact CB-CG2 3.87Å; A510-V573 HydrophobicContact CB-CB 3.73Å; A510-V573 HydrophobicContact CB-CG1 3.69Å; A510-V573 HydrophobicContact CB-CG2 4.29Å; A510-V575 HydrophobicContact CB-CG2 3.77Å
511	S	95.9	Very high	94.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-41.9	178.4	-60.3	0	0	0	0	112	E507 L508 A514 L515 W579	E507-S511 VanDerWaalsContact O-CB 3.29Å; E507-S511 WeakPolarHBondContact O-CB 3.29Å; E507-S511 PolarHBondContact O-N 3.46Å; E507-S511 PolarHBondContact O-OG 3.47Å; L508-S511 PolarHBondContact O-N 3.39Å; S511-A514 PolarHBondContact O-N 3.48Å; S511-L515 WeakPolarHBondContact O-CB 3.31Å; S511-L515 PolarHBondContact O-N 3.24Å; S511-W579 WeakPolarHBondContact O-CH2 3.19Å
512	A	96.1	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.4	-41.1	177.5	0	0	0	0	0	111.7	L508 L509 L515 Y516 L610 L619 I621	L508-A512 VanDerWaalsContact O-CB 3.29Å; L508-A512 WeakPolarHBondContact O-CB 3.15Å; L508-A512 PolarHBondContact O-N 2.93Å; L509-A512 PolarHBondContact O-N 3.43Å; A512-L515 PolarHBondContact O-N 2.9Å; A512-Y516 WeakPolarHBondContact O-CB 3.45Å; A512-Y516 PolarHBondContact O-N 3.36Å; A512-L610 HydrophobicContact CB-CD1 3.8Å; A512-L619 HydrophobicContact CB-CD1 4.23Å; A512-L619 HydrophobicContact CB-CD2 3.86Å; A512-L619 HydrophobicContact CB-CG 4.49Å; A512-I621 HydrophobicContact CB-CD1 3.76Å; A512-I621 WeakPolarHBondContact O-CD1 3.45Å
513	A	96	Very high	93.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-45.5	174.4	0	0	0	0	0	112.1	L509 A510 L515 Y516 I517 L544 V555 I557	L509-A513 WeakPolarHBondContact O-CB 2.71Å; L509-A513 PolarHBondContact O-N 2.88Å; A510-A513 PolarHBondContact O-N 2.86Å; A513-L515 PolarHBondContact O-N 3.44Å; A513-Y516 WeakPolarHBondContact O-CB 3.4Å; A513-Y516 PolarHBondContact O-N 2.91Å; A513-I517 WeakPolarHBondContact O-CG1 3.2Å; A513-I517 PolarHBondContact O-N 3.38Å; A513-L544 HydrophobicContact CB-CD1 4.06Å; A513-V555 HydrophobicContact CB-CG1 3.96Å; A513-I557 HydrophobicContact CB-CD1 4.16Å
514	A	95.6	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-42.9	176	0	0	0	0	0	112	A510 S511 T518 I557 Y564 V575 W579	A510-A514 WeakPolarHBondContact O-CB 3.39Å; A510-A514 PolarHBondContact O-N 2.96Å; S511-A514 PolarHBondContact O-N 3.48Å; A514-T518 WeakPolarHBondContact O-CB 3.44Å; A514-T518 PolarHBondContact O-N 3.26Å; A514-T518 PolarHBondContact O-OG1 2.81Å; A514-I557 HydrophobicContact CB-CD1 4.29Å; A514-Y564 HydrophobicContact CB-CD1 4.23Å; A514-Y564 HydrophobicContact CB-CD2 3.84Å; A514-Y564 HydrophobicContact CB-CE2 4.33Å; A514-Y564 HydrophobicContact CB-CG 3.77Å; A514-V575 HydrophobicContact CB-CB 4.3Å; A514-V575 HydrophobicContact CB-CG1 4.09Å; A514-W579 HydrophobicContact CB-CH2 4.38Å; A514-W579 HydrophobicContact CB-CZ2 3.64Å
515	L	95.1	Very high	92.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-44.3	174.3	177.9	60.1	0	0	0	111.9	S511 A512 A513 T518 A519 W579 L581 L586 C599 I608 L610	S511-L515 WeakPolarHBondContact O-CB 3.31Å; S511-L515 PolarHBondContact O-N 3.24Å; A512-L515 PolarHBondContact O-N 2.9Å; A513-L515 PolarHBondContact O-N 3.44Å; L515-T518 PolarHBondContact O-N 3.27Å; L515-A519 WeakPolarHBondContact O-CB 3.44Å; L515-A519 PolarHBondContact O-N 2.96Å; L515-W579 HydrophobicContact CB-CE3 4.14Å; L515-W579 HydrophobicContact CB-CH2 3.97Å; L515-W579 HydrophobicContact CB-CZ3 3.66Å; L515-W579 HydrophobicContact CD1-CE3 3.63Å; L515-W579 HydrophobicContact CD1-CZ3 3.86Å; L515-W579 HydrophobicContact CG-CE3 4.43Å; L515-W579 HydrophobicContact CG-CZ3 4.21Å; L515-L581 HydrophobicContact CD1-CD2 3.56Å; L515-L586 HydrophobicContact CD1-CD1 4.01Å; L515-L586 HydrophobicContact CD2-CD1 3.92Å; L515-C599 HydrophobicContact CD2-CB 4.31Å; L515-I608 HydrophobicContact CD2-CD1 4.46Å; L515-I608 HydrophobicContact CD2-CG2 4.08Å; L515-L610 HydrophobicContact CD2-CD2 3.7Å
516	Y	95.1	Very high	91.7	Very high	40 Å²	40	40.8 Å²	40.8	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-50.6	178.1	178.6	-97	0	0	0	111.6	A512 A513 T518 A519 Q520 L544 I608 I621	A512-Y516 WeakPolarHBondContact O-CB 3.45Å; A512-Y516 PolarHBondContact O-N 3.36Å; A513-Y516 WeakPolarHBondContact O-CB 3.4Å; A513-Y516 PolarHBondContact O-N 2.91Å; Y516-T518 VanDerWaalsContact C-N 3.33Å; Y516-T518 PolarHBondContact O-N 2.89Å; Y516-A519 WeakPolarHBondContact O-CB 3.29Å; Y516-A519 PolarHBondContact O-N 3.01Å; Y516-A519 VanDerWaalsContact O-N 3.17Å; Y516-Q520 HydrophobicContact CD1-CG 4.11Å; Y516-Q520 HydrophobicContact CE1-CG 3.74Å; Y516-Q520 HydrophobicContact CE2-CG 4.34Å; Y516-Q520 WeakPolarHBondContact O-CG 3.49Å; Y516-Q520 PolarHBondContact O-N 2.91Å; Y516-L544 HydrophobicContact CD1-CD1 4.31Å; Y516-L544 HydrophobicContact CD1-CD2 4.43Å; Y516-L544 HydrophobicContact CE1-CD2 4.17Å; Y516-I608 HydrophobicContact CD2-CD1 4.36Å; Y516-I621 HydrophobicContact CD1-CB 4.48Å; Y516-I621 HydrophobicContact CD1-CG2 3.68Å; Y516-I621 HydrophobicContact CD2-CB 3.92Å; Y516-I621 HydrophobicContact CD2-CG2 4.03Å; Y516-I621 HydrophobicContact CE1-CG2 4.09Å; Y516-I621 HydrophobicContact CE2-CB 4.3Å; Y516-I621 HydrophobicContact CE2-CG2 4.39Å; Y516-I621 WeakPolarHBondContact CE2-O 3.22Å; Y516-I621 HydrophobicContact CG-CB 4.01Å; Y516-I621 HydrophobicContact CG-CD1 4.42Å; Y516-I621 HydrophobicContact CG-CG2 3.65Å
517	I	93.6	Very high	90.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-41	178	-66.3	-56.8	0	0	0	111.1	A513 A519 Q520 L521 W542 L544 I557 Y564	A513-I517 WeakPolarHBondContact O-CG1 3.2Å; A513-I517 PolarHBondContact O-N 3.38Å; I517-A519 VanDerWaalsContact C-N 3.31Å; I517-A519 PolarHBondContact O-N 2.74Å; I517-Q520 PolarHBondContact O-N 2.86Å; I517-L521 HydrophobicContact CG2-CD1 3.83Å; I517-L521 HydrophobicContact CG2-CG 4.12Å; I517-L521 WeakPolarHBondContact O-CB 3.25Å; I517-L521 VanDerWaalsContact O-CG 3.32Å; I517-L521 WeakPolarHBondContact O-CG 3.12Å; I517-L521 PolarHBondContact O-N 2.78Å; I517-W542 HydrophobicContact CD1-CB 3.98Å; I517-W542 HydrophobicContact CD1-CD2 3.73Å; I517-W542 HydrophobicContact CD1-CE3 4.34Å; I517-W542 HydrophobicContact CD1-CG 3.54Å; I517-W542 HydrophobicContact CG1-CD2 4.26Å; I517-W542 HydrophobicContact CG1-CE3 4.38Å; I517-W542 HydrophobicContact CG1-CG 4.44Å; I517-W542 HydrophobicContact CG2-CD2 4.14Å; I517-W542 HydrophobicContact CG2-CE3 4.04Å; I517-W542 HydrophobicContact CG2-CH2 3.8Å; I517-W542 HydrophobicContact CG2-CZ2 3.9Å; I517-W542 HydrophobicContact CG2-CZ3 3.88Å; I517-L544 HydrophobicContact CD1-CD1 4.1Å; I517-L544 HydrophobicContact CD1-CD2 4.37Å; I517-L544 HydrophobicContact CG1-CD1 4.17Å; I517-I557 HydrophobicContact CB-CD1 4.48Å; I517-I557 HydrophobicContact CD1-CG2 4.35Å; I517-I557 HydrophobicContact CG1-CD1 4.05Å; I517-I557 HydrophobicContact CG1-CG2 3.86Å; I517-Y564 HydrophobicContact CB-CE1 4.29Å; I517-Y564 HydrophobicContact CG2-CE1 3.95Å
518	T	92.5	Very high	89.7	Confident	20 Å²	20	46.7 Å²	46.7	12%	0.123	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-45.4	174.8	-55	0	0	0	0	111.2	A514 L515 Y516 R522 Y564 W579 L581	A514-T518 WeakPolarHBondContact O-CB 3.44Å; A514-T518 PolarHBondContact O-N 3.26Å; A514-T518 PolarHBondContact O-OG1 2.81Å; L515-T518 PolarHBondContact O-N 3.27Å; Y516-T518 VanDerWaalsContact C-N 3.33Å; Y516-T518 PolarHBondContact O-N 2.89Å; T518-R522 WeakPolarHBondContact O-CB 3.33Å; T518-R522 PolarHBondContact O-N 3.19Å; T518-Y564 PolarHBondContact OG1-OH 3.09Å; T518-W579 HydrophobicContact CG2-CB 3.45Å; T518-W579 VanDerWaalsContact CG2-CB 3.45Å; T518-W579 HydrophobicContact CG2-CG 3.92Å; T518-L581 HydrophobicContact CG2-CD1 4.49Å; T518-L581 HydrophobicContact CG2-CD2 4.1Å; T518-L581 HydrophobicContact CG2-CG 4.46Å
519	A	91.8	Very high	88.5	Confident	16 Å²	16	53.2 Å²	53.2	13%	0.132	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-42.7	177.4	0	0	0	0	0	112.6	L515 Y516 I517 R522 S523 L581	L515-A519 WeakPolarHBondContact O-CB 3.44Å; L515-A519 PolarHBondContact O-N 2.96Å; Y516-A519 WeakPolarHBondContact O-CB 3.29Å; Y516-A519 PolarHBondContact O-N 3.01Å; Y516-A519 VanDerWaalsContact O-N 3.17Å; I517-A519 VanDerWaalsContact C-N 3.31Å; I517-A519 PolarHBondContact O-N 2.74Å; A519-R522 PolarHBondContact O-N 2.86Å; A519-S523 WeakPolarHBondContact O-CB 3.43Å; A519-S523 PolarHBondContact O-N 3.04Å; A519-S523 PolarHBondContact O-OG 2.81Å; A519-S523 VanDerWaalsContact O-OG 3.06Å; A519-L581 HydrophobicContact CB-CD1 4.06Å
520	Q	89.6	Confident	87.4	Confident	85 Å²	85	57.2 Å²	57.2	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-47	177.3	-70.3	-61.3	-24.8	0	0	111.9	Y516 I517 R522 S523 R524	Y516-Q520 HydrophobicContact CD1-CG 4.11Å; Y516-Q520 HydrophobicContact CE1-CG 3.74Å; Y516-Q520 HydrophobicContact CE2-CG 4.34Å; Y516-Q520 WeakPolarHBondContact O-CG 3.49Å; Y516-Q520 PolarHBondContact O-N 2.91Å; I517-Q520 PolarHBondContact O-N 2.86Å; Q520-R522 VanDerWaalsContact C-N 3.28Å; Q520-R522 PolarHBondContact O-N 3.02Å; Q520-S523 PolarHBondContact O-N 2.73Å; Q520-R524 WeakPolarHBondContact O-CG 3.28Å; Q520-R524 PolarHBondContact O-N 2.93Å; Q520-R524 VanDerWaalsContact O-N 3.13Å
521	L	89.1	Confident	86.3	Confident	44 Å²	44	69.6 Å²	69.6	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-41	175.9	-72.3	176.3	0	0	0	111.3	I517 R524 W542 K559	I517-L521 HydrophobicContact CG2-CD1 3.83Å; I517-L521 HydrophobicContact CG2-CG 4.12Å; I517-L521 WeakPolarHBondContact O-CB 3.25Å; I517-L521 VanDerWaalsContact O-CG 3.32Å; I517-L521 WeakPolarHBondContact O-CG 3.12Å; I517-L521 PolarHBondContact O-N 2.78Å; L521-R524 PolarHBondContact O-N 3.43Å; L521-W542 HydrophobicContact CD1-CH2 4.24Å; L521-W542 HydrophobicContact CD1-CZ2 4.35Å; L521-W542 HydrophobicContact CD2-CZ2 4.01Å; L521-W542 HydrophobicContact CG-CZ2 4.39Å; L521-K559 HydrophobicContact CD1-CD 3.59Å
522	R	87.8	Confident	85.3	Confident	146 Å²	146	75 Å²	75	55%	0.551	39%	0.385	S	S	*	.	H	α-helix	trans	-65.2	-41.8	175.5	-177.2	50.2	156.2	72.9	4.1	112.6	T518 A519 Q520 R524 N525 L581	T518-R522 WeakPolarHBondContact O-CB 3.33Å; T518-R522 PolarHBondContact O-N 3.19Å; A519-R522 PolarHBondContact O-N 2.86Å; Q520-R522 VanDerWaalsContact C-N 3.28Å; Q520-R522 PolarHBondContact O-N 3.02Å; R522-R524 PolarHBondContact O-N 3.37Å; R522-N525 WeakPolarHBondContact O-CB 3.15Å; R522-N525 PolarHBondContact O-N 3.24Å; R522-N525 VanDerWaalsContact O-N 3.11Å; R522-L581 HydrophobicContact CB-CD1 3.94Å; R522-L581 HydrophobicContact CG-CD1 4.16Å
523	S	86.4	Confident	83.9	Confident	92 Å²	92	80.9 Å²	80.9	64%	0.643	43%	0.426	S	S	*	.	H	α-helix	trans	-64.6	-25	178.5	-67.4	0	0	0	0	113.2	A519 Q520 N525	A519-S523 WeakPolarHBondContact O-CB 3.43Å; A519-S523 PolarHBondContact O-N 3.04Å; A519-S523 PolarHBondContact O-OG 2.81Å; A519-S523 VanDerWaalsContact O-OG 3.06Å; Q520-S523 PolarHBondContact O-N 2.73Å; S523-N525 VanDerWaalsContact C-N 3.32Å
524	R	81.9	Confident	82.6	Confident	114 Å²	114	84.6 Å²	84.6	43%	0.43	45%	0.452	S	S	.	.	H	α-helix	trans	-74.8	-21.2	174.7	-67.8	169.3	69.1	176.4	-3.8	113.2	Q520 L521 R522 I526 V537	Q520-R524 WeakPolarHBondContact O-CG 3.28Å; Q520-R524 PolarHBondContact O-N 2.93Å; Q520-R524 VanDerWaalsContact O-N 3.13Å; L521-R524 PolarHBondContact O-N 3.43Å; R522-R524 PolarHBondContact O-N 3.37Å; R524-I526 PolarHBondContact O-N 2.94Å; R524-V537 PolarHBondContact NH2-O 2.9Å
525	N	80.6	Confident	81.1	Confident	108 Å²	108	88.6 Å²	88.6	58%	0.578	49%	0.485	S	S	*	.			trans	-82.4	98.3	179.2	-71.3	-25.2	0	0	0	110.6	R522 S523	R522-N525 WeakPolarHBondContact O-CB 3.15Å; R522-N525 PolarHBondContact O-N 3.24Å; R522-N525 VanDerWaalsContact O-N 3.11Å; S523-N525 VanDerWaalsContact C-N 3.32Å
526	I	78.6	Confident	79.5	Confident	107 Å²	107	94 Å²	94	55%	0.549	52%	0.52	S	S	.	.			trans	-89.5	118.1	-178.9	-61.3	169.7	0	0	0	109.8	R524 G528 L530	R524-I526 PolarHBondContact O-N 2.94Å; I526-G528 VanDerWaalsContact C-N 3.33Å; I526-G528 PolarHBondContact O-N 3.47Å; I526-G528 VanDerWaalsContact O-N 3.12Å; I526-L530 HydrophobicContact CB-CD2 4.17Å; I526-L530 HydrophobicContact CD1-CD2 3.56Å; I526-L530 HydrophobicContact CG1-CD2 4.44Å; I526-L530 HydrophobicContact CG2-CD2 3.85Å
527	L	72.7	Confident	78.1	Confident	162 Å²	162	96.8 Å²	96.8	85%	0.848	54%	0.541	S	S	*	.			trans	-85.5	71.7	177.3	-61.8	173.9	0	0	0	110
528	G	74.9	Confident	76.7	Confident	41 Å²	41	105.7 Å²	105.7	42%	0.423	58%	0.583	S	S	.	*	S	Bend	trans	172.8	163.8	177.5	0	0	0	0	0	113.6	I526 L530	I526-G528 VanDerWaalsContact C-N 3.33Å; I526-G528 PolarHBondContact O-N 3.47Å; I526-G528 VanDerWaalsContact O-N 3.12Å; G528-L530 PolarHBondContact O-N 2.92Å
529	P	72.9	Confident	75.8	Confident	136 Å²	136	107.2 Å²	107.2	88%	0.883	59%	0.594	S	S	*	*			trans	-67.1	117.2	177.1	26.9	-31.7	0	0	0	109.9
530	L	73	Confident	75.5	Confident	87 Å²	87	108.1 Å²	108.1	46%	0.455	61%	0.606	S	S	.	*			trans	-73	134.6	172.9	-67.2	169.4	0	0	0	109.7	I526 G528 V532	I526-L530 HydrophobicContact CB-CD2 4.17Å; I526-L530 HydrophobicContact CD1-CD2 3.56Å; I526-L530 HydrophobicContact CG1-CD2 4.44Å; I526-L530 HydrophobicContact CG2-CD2 3.85Å; G528-L530 PolarHBondContact O-N 2.92Å; L530-V532 VanDerWaalsContact CB-O 3.25Å; L530-V532 WeakPolarHBondContact CB-O 3.5Å; L530-V532 PolarHBondContact O-N 2.95Å
531	R	73.7	Confident	75.7	Confident	260 Å²	260	109 Å²	109	98%	0.981	61%	0.606	S	S	*	*	S	Bend	trans	-66.8	-18.5	171.7	-70.2	-174.8	-175.7	178.9	2.2	112.6
532	V	74.8	Confident	76	Confident	113 Å²	113	109 Å²	109	69%	0.685	60%	0.603	S	S	*	*	S	Bend	trans	-130.6	128.5	-178.7	-175.1	0	0	0	0	107.9	L530 S534	L530-V532 VanDerWaalsContact CB-O 3.25Å; L530-V532 WeakPolarHBondContact CB-O 3.5Å; L530-V532 PolarHBondContact O-N 2.95Å; V532-S534 PolarHBondContact O-N 3.41Å
533	S	66.6	Low	76.4	Confident	124 Å²	124	106.3 Å²	106.3	87%	0.867	60%	0.596	S	S	*	*			trans	-63.6	120.4	173.5	-172.7	0	0	0	0	109.3
534	S	67.6	Low	76.9	Confident	79 Å²	79	102.2 Å²	102.2	55%	0.552	57%	0.567	S	S	*	*			trans	-104.7	132.3	168.2	69.6	0	0	0	0	109.3	V532	V532-S534 PolarHBondContact O-N 3.41Å
535	A	63.8	Low	77.6	Confident	84 Å²	84	97.5 Å²	97.5	69%	0.694	55%	0.552	S	S	*	*			trans	-74	127.9	166.4	0	0	0	0	0	108.1	V537	A535-V537 PolarHBondContact O-N 2.78Å; A535-V537 VanDerWaalsContact O-N 3.14Å
536	P	62.9	Low	78.4	Confident	113 Å²	113	92.4 Å²	92.4	73%	0.734	52%	0.524	S	S	*	.			trans	-65.2	115.8	172.4	25	-30	0	0	0	108.9	E538	P536-E538 PolarHBondContact O-N 3.36Å
537	V	64.4	Low	79.2	Confident	99 Å²	99	89 Å²	89	60%	0.6	51%	0.506	S	S	*	.			trans	-78.4	102.3	167.1	-179.1	0	0	0	0	107.2	R524 A535 S539	R524-V537 PolarHBondContact NH2-O 2.9Å; A535-V537 PolarHBondContact O-N 2.78Å; A535-V537 VanDerWaalsContact O-N 3.14Å; V537-S539 PolarHBondContact O-N 3.26Å; V537-S539 VanDerWaalsContact O-N 3.15Å
538	E	66.1	Low	80.2	Confident	190 Å²	190	82.3 Å²	82.3	89%	0.888	47%	0.471	S	S	*	.			trans	-69.3	104.4	166.3	-71.2	-175	171.3	0	0	108.1	P536	P536-E538 PolarHBondContact O-N 3.36Å
539	S	72.5	Confident	80.8	Confident	51 Å²	51	84.2 Å²	84.2	36%	0.357	49%	0.491	S	S	.	.			trans	-106.7	122.9	168.7	-143.7	0	0	0	0	106.3	V537 Y541 W542	V537-S539 PolarHBondContact O-N 3.26Å; V537-S539 VanDerWaalsContact O-N 3.15Å; S539-Y541 PolarHBondContact OG-O 2.77Å; S539-Y541 VanDerWaalsContact OG-O 3.13Å; S539-W542 WeakPolarHBondContact O-CH2 3.4Å; S539-W542 WeakPolarHBondContact O-CZ2 3.04Å
540	G	86.5	Confident	81.4	Confident	36 Å²	36	81.5 Å²	81.5	37%	0.371	49%	0.488	S	S	.	.			trans	-100.4	-5.4	171.8	0	0	0	0	0	112.9	W542 T558 K559	G540-W542 VanDerWaalsContact C-CZ3 3.43Å; G540-W542 WeakPolarHBondContact O-CZ3 2.97Å; G540-T558 CarbonylContact O-C 3.56Å; G540-T558 WeakPolarHBondContact O-CA 3.4Å; G540-T558 WeakPolarHBondContact O-CG2 3.35Å; G540-K559 PolarHBondContact O-N 2.85Å
541	Y	93.4	Very high	82.2	Confident	104 Å²	104	83.6 Å²	83.6	41%	0.408	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.5	-173.9	176.3	-101.5	0	0	0	110.6	S539 E543 D556 I557	S539-Y541 PolarHBondContact OG-O 2.77Å; S539-Y541 VanDerWaalsContact OG-O 3.13Å; Y541-E543 HydrophobicContact CE1-CG 3.59Å; Y541-E543 WeakPolarHBondContact OH-CG 3.5Å; Y541-D556 HydrophobicContact CE2-CB 4.01Å; Y541-D556 PolarHBondContact OH-OD2 3.07Å; Y541-I557 CarbonylContact C-O 3.56Å; Y541-I557 WeakPolarHBondContact CA-O 3.46Å
542	W	95	Very high	83.2	Confident	42 Å²	42	76.6 Å²	76.6	16%	0.159	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.3	175.8	-55.4	-98.5	0	0	0	111.5	I517 L521 S539 G540 L544 I557 K559	I517-W542 HydrophobicContact CD1-CB 3.98Å; I517-W542 HydrophobicContact CD1-CD2 3.73Å; I517-W542 HydrophobicContact CD1-CE3 4.34Å; I517-W542 HydrophobicContact CD1-CG 3.54Å; I517-W542 HydrophobicContact CG1-CD2 4.26Å; I517-W542 HydrophobicContact CG1-CE3 4.38Å; I517-W542 HydrophobicContact CG1-CG 4.44Å; I517-W542 HydrophobicContact CG2-CD2 4.14Å; I517-W542 HydrophobicContact CG2-CE3 4.04Å; I517-W542 HydrophobicContact CG2-CH2 3.8Å; I517-W542 HydrophobicContact CG2-CZ2 3.9Å; I517-W542 HydrophobicContact CG2-CZ3 3.88Å; L521-W542 HydrophobicContact CD1-CH2 4.24Å; L521-W542 HydrophobicContact CD1-CZ2 4.35Å; L521-W542 HydrophobicContact CD2-CZ2 4.01Å; L521-W542 HydrophobicContact CG-CZ2 4.39Å; S539-W542 WeakPolarHBondContact O-CH2 3.4Å; S539-W542 WeakPolarHBondContact O-CZ2 3.04Å; G540-W542 VanDerWaalsContact C-CZ3 3.43Å; G540-W542 WeakPolarHBondContact O-CZ3 2.97Å; W542-L544 HydrophobicContact CB-CD2 4.41Å; W542-L544 HydrophobicContact CB-CG 4.43Å; W542-I557 HydrophobicContact CB-CG2 3.72Å; W542-I557 HydrophobicContact CE3-CG2 4.06Å; W542-I557 HydrophobicContact CG-CG2 4.43Å; W542-I557 PolarHBondContact N-O 3.13Å; W542-I557 PolarHBondContact O-N 3.49Å; W542-K559 HydrophobicContact CH2-CB 4Å; W542-K559 HydrophobicContact CH2-CD 4.49Å; W542-K559 HydrophobicContact CZ3-CB 3.67Å
543	E	95.9	Very high	84.1	Confident	90 Å²	90	73 Å²	73	42%	0.421	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.3	171.1	-64.8	164.9	149.1	0	0	108.8	Y541 Q624	Y541-E543 HydrophobicContact CE1-CG 3.59Å; Y541-E543 WeakPolarHBondContact OH-CG 3.5Å; E543-Q624 HydrophobicContact CB-CB 4.3Å; E543-Q624 PolarHBondContact O-N 2.9Å; E543-Q624 VanDerWaalsContact O-N 3.15Å; E543-Q624 PolarHBondContact OE2-OE1 2.92Å
544	L	96.8	Very high	85.5	Confident	6 Å²	6	73.1 Å²	73.1	3%	0.031	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	157.2	-175.1	-57.1	178	0	0	0	111.2	A513 Y516 I517 W542 V555 I557 I621 L622	A513-L544 HydrophobicContact CB-CD1 4.06Å; Y516-L544 HydrophobicContact CD1-CD1 4.31Å; Y516-L544 HydrophobicContact CD1-CD2 4.43Å; Y516-L544 HydrophobicContact CE1-CD2 4.17Å; I517-L544 HydrophobicContact CD1-CD1 4.1Å; I517-L544 HydrophobicContact CD1-CD2 4.37Å; I517-L544 HydrophobicContact CG1-CD1 4.17Å; W542-L544 HydrophobicContact CB-CD2 4.41Å; W542-L544 HydrophobicContact CB-CG 4.43Å; L544-V555 WeakPolarHBondContact CA-O 3.33Å; L544-V555 HydrophobicContact CB-CB 4.37Å; L544-V555 WeakPolarHBondContact CB-O 3.34Å; L544-V555 PolarHBondContact N-O 3.37Å; L544-V555 PolarHBondContact O-N 3.11Å; L544-I557 HydrophobicContact CD1-CG2 3.84Å; L544-I557 HydrophobicContact CG-CG2 4.29Å; L544-I621 HydrophobicContact CB-CG2 4.42Å; L544-I621 HydrophobicContact CD1-CG2 3.98Å; L544-L622 CarbonylContact C-O 3.55Å; L544-L622 VanDerWaalsContact CA-O 3.32Å; L544-L622 WeakPolarHBondContact CA-O 3.49Å
545	C	96.6	Very high	86.9	Confident	16 Å²	16	69.3 Å²	69.3	11%	0.108	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.4	166.4	179.9	0	0	0	0	107.5	H553 L622 A627	C545-H553 WeakPolarHBondContact CA-O 3.34Å; C545-L622 PolarHBondContact N-O 2.85Å; C545-L622 PolarHBondContact O-N 2.74Å; C545-A627 HydrophobicContact CB-CB 3.44Å; C545-A627 VanDerWaalsContact CB-CB 3.44Å
546	V	96.9	Very high	88.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.7	178.3	-176.2	0	0	0	0	108.6	L509 H553 V555 L619 R620 I621	L509-V546 HydrophobicContact CD2-CB 3.91Å; L509-V546 HydrophobicContact CD2-CG1 3.42Å; L509-V546 VanDerWaalsContact CD2-CG1 3.42Å; V546-H553 PolarHBondContact N-O 2.97Å; V546-H553 PolarHBondContact O-CD2 3.21Å; V546-H553 PolarHBondContact O-N 2.85Å; V546-V555 HydrophobicContact CB-CG2 4.22Å; V546-V555 HydrophobicContact CG2-CB 4.1Å; V546-V555 HydrophobicContact CG2-CG2 3.64Å; V546-L619 HydrophobicContact CG1-CB 4.39Å; V546-L619 HydrophobicContact CG1-CD2 3.88Å; V546-R620 CarbonylContact C-O 3.54Å; V546-R620 WeakPolarHBondContact CA-O 3.4Å; V546-I621 HydrophobicContact CG1-CG1 4.08Å; V546-I621 HydrophobicContact CG2-CG1 4.1Å; V546-I621 HydrophobicContact CG2-CG2 4.29Å
547	E	95.2	Very high	90	Very high	36 Å²	36	61.5 Å²	61.5	17%	0.168	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.1	173.1	-44.2	-168.7	137.8	0	0	109.8	E551 R552 L619 R620	E547-E551 CarbonylContact C-O 3.57Å; E547-E551 VanDerWaalsContact CA-O 3.22Å; E547-E551 WeakPolarHBondContact CA-O 3.41Å; E547-R552 HydrophobicContact CG-CG 4.14Å; E547-R552 IonicContact OE1-CZ 2.65Å; E547-R552 IonicContact OE1-NE 3.37Å; E547-R552 PolarHBondContact OE1-NE 3.24Å; E547-R552 IonicContact OE1-NH2 2.97Å; E547-R552 PolarHBondContact OE1-NH2 3.03Å; E547-L619 VanDerWaalsContact O-CA 3.32Å; E547-L619 WeakPolarHBondContact O-CA 3.35Å; E547-R620 HydrophobicContact CB-CB 4.13Å; E547-R620 HydrophobicContact CG-CB 4.32Å; E547-R620 PolarHBondContact N-O 2.79Å; E547-R620 PolarHBondContact O-N 2.95Å; E547-R620 WeakPolarHBondContact OE2-CD 3.46Å; E547-R620 IonicContact OE2-NH1 3.15Å
548	L	94.5	Very high	91.5	Very high	21 Å²	21	59.7 Å²	59.7	11%	0.11	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125	177.3	176.9	65.3	0	0	0	108.7	L500 L508 L509 G550 E551 F617 L619	L500-L548 HydrophobicContact CD1-CD2 3.99Å; L508-L548 HydrophobicContact CD2-CD1 4.41Å; L508-L548 HydrophobicContact CD2-CD2 4.19Å; L509-L548 HydrophobicContact CD2-CB 4.35Å; L509-L548 HydrophobicContact CD2-CD2 4.23Å; L548-G550 PolarHBondContact O-N 3.39Å; L548-G550 VanDerWaalsContact O-N 3.08Å; L548-E551 PolarHBondContact N-O 2.97Å; L548-E551 PolarHBondContact O-N 3.17Å; L548-F617 HydrophobicContact CD1-CB 4.31Å; L548-F617 HydrophobicContact CD1-CD1 4.22Å; L548-L619 HydrophobicContact CD1-CD2 4.18Å; L548-L619 HydrophobicContact CD1-CG 4.08Å
549	G	86.9	Confident	92.8	Very high	82 Å²	82	53.7 Å²	53.7	85%	0.845	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	20.5	178.2	0	0	0	0	0	115.1	E551	G549-E551 VanDerWaalsContact C-N 3.31Å
550	G	85.7	Confident	93.7	Very high	78 Å²	78	55.4 Å²	55.4	80%	0.804	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-7.3	-174.3	0	0	0	0	0	114.4	L548	L548-G550 PolarHBondContact O-N 3.39Å; L548-G550 VanDerWaalsContact O-N 3.08Å
551	E	91	Very high	93.7	Very high	132 Å²	132	56.3 Å²	56.3	62%	0.617	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	147.2	173.2	-61.1	-168.4	167	0	0	111.1	E547 L548 G549 H553	E547-E551 CarbonylContact C-O 3.57Å; E547-E551 VanDerWaalsContact CA-O 3.22Å; E547-E551 WeakPolarHBondContact CA-O 3.41Å; L548-E551 PolarHBondContact N-O 2.97Å; L548-E551 PolarHBondContact O-N 3.17Å; G549-E551 VanDerWaalsContact C-N 3.31Å; E551-H553 IonicContact OE2-CE1 2.95Å
552	R	93.2	Very high	93.3	Very high	113 Å²	113	57.2 Å²	57.2	43%	0.426	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.7	177.7	-67.8	-171.6	167.9	-173.6	-4.7	110.2	E547 A627 D630	E547-R552 HydrophobicContact CG-CG 4.14Å; E547-R552 IonicContact OE1-CZ 2.65Å; E547-R552 IonicContact OE1-NE 3.37Å; E547-R552 PolarHBondContact OE1-NE 3.24Å; E547-R552 IonicContact OE1-NH2 2.97Å; E547-R552 PolarHBondContact OE1-NH2 3.03Å; R552-A627 PolarHBondContact NH1-O 2.85Å; R552-A627 VanDerWaalsContact NH1-O 3.15Å; R552-D630 IonicContact NH2-OD2 3.12Å; R552-D630 PolarHBondContact NH2-OD2 2.68Å; R552-D630 VanDerWaalsContact NH2-OD2 3.12Å
553	H	94.9	Very high	93.3	Very high	38 Å²	38	57.3 Å²	57.3	18%	0.176	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.2	177.3	-53.8	-80.9	0	0	0	110.2	L509 C545 V546 E551 V555	L509-H553 HydrophobicContact CD1-CB 3.96Å; L509-H553 HydrophobicContact CD2-CB 4.44Å; C545-H553 WeakPolarHBondContact CA-O 3.34Å; V546-H553 PolarHBondContact N-O 2.97Å; V546-H553 PolarHBondContact O-CD2 3.21Å; V546-H553 PolarHBondContact O-N 2.85Å; E551-H553 IonicContact OE2-CE1 2.95Å; H553-V555 HydrophobicContact CB-CG2 4.44Å
554	Q	95.4	Very high	93.2	Very high	125 Å²	125	53.3 Å²	53.3	58%	0.584	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.9	168.4	-173.7	173.1	-8.1	0	0	109.1
555	V	96.8	Very high	93.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.4	-175.6	177.8	0	0	0	0	109.6	A513 L544 V546 H553 V566 E567 A568	A513-V555 HydrophobicContact CB-CG1 3.96Å; L544-V555 WeakPolarHBondContact CA-O 3.33Å; L544-V555 HydrophobicContact CB-CB 4.37Å; L544-V555 WeakPolarHBondContact CB-O 3.34Å; L544-V555 PolarHBondContact N-O 3.37Å; L544-V555 PolarHBondContact O-N 3.11Å; V546-V555 HydrophobicContact CB-CG2 4.22Å; V546-V555 HydrophobicContact CG2-CB 4.1Å; V546-V555 HydrophobicContact CG2-CG2 3.64Å; H553-V555 HydrophobicContact CB-CG2 4.44Å; V555-V566 HydrophobicContact CG1-CG1 3.27Å; V555-E567 WeakPolarHBondContact CA-O 3.22Å; V555-A568 HydrophobicContact CG1-CB 4.48Å; V555-A568 HydrophobicContact CG2-CB 4.03Å
556	D	96.6	Very high	93.3	Very high	32 Å²	32	54.8 Å²	54.8	17%	0.171	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.5	175.4	-63.4	-21.2	0	0	0	109	Y541 V566 E567	Y541-D556 HydrophobicContact CE2-CB 4.01Å; Y541-D556 PolarHBondContact OH-OD2 3.07Å; D556-V566 CarbonylContact O-C 3.57Å; D556-V566 WeakPolarHBondContact O-CA 3.49Å; D556-E567 HydrophobicContact CB-CB 4.37Å; D556-E567 PolarHBondContact N-O 3.32Å; D556-E567 PolarHBondContact O-N 3.18Å
557	I	96.4	Very high	93.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.1	-174.2	-178.4	163.7	0	0	0	110.8	A513 A514 I517 Y541 W542 L544 Y564 T565 V566	A513-I557 HydrophobicContact CB-CD1 4.16Å; A514-I557 HydrophobicContact CB-CD1 4.29Å; I517-I557 HydrophobicContact CB-CD1 4.48Å; I517-I557 HydrophobicContact CD1-CG2 4.35Å; I517-I557 HydrophobicContact CG1-CD1 4.05Å; I517-I557 HydrophobicContact CG1-CG2 3.86Å; Y541-I557 CarbonylContact C-O 3.56Å; Y541-I557 WeakPolarHBondContact CA-O 3.46Å; W542-I557 HydrophobicContact CB-CG2 3.72Å; W542-I557 HydrophobicContact CE3-CG2 4.06Å; W542-I557 HydrophobicContact CG-CG2 4.43Å; W542-I557 PolarHBondContact N-O 3.13Å; W542-I557 PolarHBondContact O-N 3.49Å; L544-I557 HydrophobicContact CD1-CG2 3.84Å; L544-I557 HydrophobicContact CG-CG2 4.29Å; I557-Y564 HydrophobicContact CD1-CD1 3.66Å; I557-Y564 HydrophobicContact CD1-CE1 4.46Å; I557-Y564 HydrophobicContact CD1-CG 4.27Å; I557-Y564 HydrophobicContact CG1-CD1 4.04Å; I557-T565 WeakPolarHBondContact CA-O 3.48Å; I557-V566 HydrophobicContact CB-CG2 4.4Å; I557-V566 HydrophobicContact CD1-CG2 3.83Å; I557-V566 HydrophobicContact CG1-CG2 3.95Å
558	T	96	Very high	92.9	Very high	62 Å²	62	58.5 Å²	58.5	38%	0.38	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.2	172.8	-57.6	0	0	0	0	109.7	G540 Y564 T565	G540-T558 CarbonylContact O-C 3.56Å; G540-T558 WeakPolarHBondContact O-CA 3.4Å; G540-T558 WeakPolarHBondContact O-CG2 3.35Å; T558-Y564 CarbonylContact O-C 3.56Å; T558-Y564 WeakPolarHBondContact O-CA 3.39Å; T558-T565 PolarHBondContact N-O 3.27Å; T558-T565 PolarHBondContact O-N 3.09Å
559	K	93	Very high	92.1	Very high	63 Å²	63	60 Å²	60	27%	0.274	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.1	176.6	-173.9	-177.4	-165.9	-80.4	0	110.8	L521 G540 W542 G561 V563 Y564	L521-K559 HydrophobicContact CD1-CD 3.59Å; G540-K559 PolarHBondContact O-N 2.85Å; W542-K559 HydrophobicContact CH2-CB 4Å; W542-K559 HydrophobicContact CH2-CD 4.49Å; W542-K559 HydrophobicContact CZ3-CB 3.67Å; K559-G561 WeakPolarHBondContact CE-O 3.32Å; K559-G561 PolarHBondContact NZ-O 2.87Å; K559-V563 WeakPolarHBondContact CA-O 3.4Å; K559-Y564 HydrophobicContact CB-CD1 3.95Å; K559-Y564 HydrophobicContact CB-CE1 3.9Å; K559-Y564 HydrophobicContact CD-CD1 4.36Å; K559-Y564 HydrophobicContact CD-CE1 3.52Å; K559-Y564 VanDerWaalsContact CE-CZ 3.42Å; K559-Y564 WeakPolarHBondContact CE-OH 3.3Å; K559-Y564 HydrophobicContact CG-CD1 3.98Å; K559-Y564 HydrophobicContact CG-CE1 3.62Å
560	S	90.6	Very high	91.9	Very high	88 Å²	88	60.6 Å²	60.6	62%	0.615	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	108.4	172.2	-174.8	0	0	0	0	109.7	D562 V563	S560-D562 PolarHBondContact O-N 3.12Å; S560-V563 PolarHBondContact N-O 3.17Å; S560-V563 PolarHBondContact O-N 2.99Å
561	G	86.6	Confident	92.1	Very high	55 Å²	55	58 Å²	58	57%	0.567	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-121.3	-171.2	0	0	0	0	0	111.1	K559	K559-G561 WeakPolarHBondContact CE-O 3.32Å; K559-G561 PolarHBondContact NZ-O 2.87Å
562	D	86.2	Confident	92.3	Very high	123 Å²	123	55.9 Å²	55.9	66%	0.658	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	5.5	177.7	-64.3	-32.7	0	0	0	113.5	S560	S560-D562 PolarHBondContact O-N 3.12Å
563	V	93.4	Very high	92.5	Very high	44 Å²	44	50.6 Å²	50.6	27%	0.267	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.5	180	-174	0	0	0	0	109.8	K559 S560 E574	K559-V563 WeakPolarHBondContact CA-O 3.4Å; S560-V563 PolarHBondContact N-O 3.17Å; S560-V563 PolarHBondContact O-N 2.99Å; V563-E574 HydrophobicContact CG1-CG 3.51Å
564	Y	95.6	Very high	92.6	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.02	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.5	170.8	-62.8	-89.3	0	0	0	109.3	A514 I517 T518 I557 T558 K559 E574 V575 W579	A514-Y564 HydrophobicContact CB-CD1 4.23Å; A514-Y564 HydrophobicContact CB-CD2 3.84Å; A514-Y564 HydrophobicContact CB-CE2 4.33Å; A514-Y564 HydrophobicContact CB-CG 3.77Å; I517-Y564 HydrophobicContact CB-CE1 4.29Å; I517-Y564 HydrophobicContact CG2-CE1 3.95Å; T518-Y564 PolarHBondContact OG1-OH 3.09Å; I557-Y564 HydrophobicContact CD1-CD1 3.66Å; I557-Y564 HydrophobicContact CD1-CE1 4.46Å; I557-Y564 HydrophobicContact CD1-CG 4.27Å; I557-Y564 HydrophobicContact CG1-CD1 4.04Å; T558-Y564 CarbonylContact O-C 3.56Å; T558-Y564 WeakPolarHBondContact O-CA 3.39Å; K559-Y564 HydrophobicContact CB-CD1 3.95Å; K559-Y564 HydrophobicContact CB-CE1 3.9Å; K559-Y564 HydrophobicContact CD-CD1 4.36Å; K559-Y564 HydrophobicContact CD-CE1 3.52Å; K559-Y564 VanDerWaalsContact CE-CZ 3.42Å; K559-Y564 WeakPolarHBondContact CE-OH 3.3Å; K559-Y564 HydrophobicContact CG-CD1 3.98Å; K559-Y564 HydrophobicContact CG-CE1 3.62Å; Y564-E574 WeakPolarHBondContact O-CA 3.36Å; Y564-V575 PolarHBondContact N-O 3.09Å; Y564-V575 PolarHBondContact O-N 3.12Å; Y564-W579 AromaticContact CD2-NE1 3.99Å; Y564-W579 AromaticContact CE2-CD1 3.91Å; Y564-W579 AromaticContact CE2-NE1 3.49Å
565	T	96.8	Very high	92.6	Very high	54 Å²	54	47.3 Å²	47.3	33%	0.331	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.6	169.4	-53.3	0	0	0	0	107.6	I557 T558 T572	I557-T565 WeakPolarHBondContact CA-O 3.48Å; T558-T565 PolarHBondContact N-O 3.27Å; T558-T565 PolarHBondContact O-N 3.09Å; T565-T572 HydrophobicContact CG2-CG2 3.45Å; T565-T572 VanDerWaalsContact CG2-CG2 3.45Å
566	V	96.7	Very high	92.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.2	-174.9	-168.6	0	0	0	0	110.1	A510 V555 D556 I557 A568 T572 V573	A510-V566 HydrophobicContact CB-CB 3.72Å; A510-V566 HydrophobicContact CB-CG1 3.98Å; A510-V566 HydrophobicContact CB-CG2 3.87Å; V555-V566 HydrophobicContact CG1-CG1 3.27Å; D556-V566 CarbonylContact O-C 3.57Å; D556-V566 WeakPolarHBondContact O-CA 3.49Å; I557-V566 HydrophobicContact CB-CG2 4.4Å; I557-V566 HydrophobicContact CD1-CG2 3.83Å; I557-V566 HydrophobicContact CG1-CG2 3.95Å; V566-A568 HydrophobicContact CG1-CB 4.42Å; V566-T572 CarbonylContact O-C 3.52Å; V566-T572 WeakPolarHBondContact O-CA 3.49Å; V566-V573 PolarHBondContact N-O 3.04Å; V566-V573 PolarHBondContact O-N 2.76Å
567	E	96.1	Very high	91.7	Very high	111 Å²	111	48.1 Å²	48.1	52%	0.519	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.9	168.9	-63.2	-173.9	-177.6	0	0	108.9	V555 D556 G571	V555-E567 WeakPolarHBondContact CA-O 3.22Å; D556-E567 HydrophobicContact CB-CB 4.37Å; D556-E567 PolarHBondContact N-O 3.32Å; D556-E567 PolarHBondContact O-N 3.18Å; E567-G571 WeakPolarHBondContact CA-O 3.38Å
568	A	89.6	Confident	90.7	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.017	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.5	-178.2	0	0	0	0	0	110.4	R506 L509 V555 V566 G570 G571	R506-A568 VanDerWaalsContact CD-O 3.22Å; R506-A568 WeakPolarHBondContact CD-O 3.27Å; R506-A568 WeakPolarHBondContact CG-O 3.37Å; L509-A568 HydrophobicContact CB-CB 4.41Å; V555-A568 HydrophobicContact CG1-CB 4.48Å; V555-A568 HydrophobicContact CG2-CB 4.03Å; V566-A568 HydrophobicContact CG1-CB 4.42Å; A568-G570 PolarHBondContact O-N 3.13Å; A568-G570 VanDerWaalsContact O-N 3.14Å; A568-G571 PolarHBondContact N-O 3.14Å; A568-G571 PolarHBondContact O-N 3.03Å; A568-G571 VanDerWaalsContact O-N 3.1Å; A568-G571 VanDerWaalsContact O-O 3.1Å
569	G	76.6	Confident	90.3	Very high	54 Å²	54	55 Å²	55	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	31.9	173.1	0	0	0	0	0	114.6
570	G	82.6	Confident	90.1	Very high	93 Å²	93	56.5 Å²	56.5	96%	0.959	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	10.3	179.7	0	0	0	0	0	115.6	A568	A568-G570 PolarHBondContact O-N 3.13Å; A568-G570 VanDerWaalsContact O-N 3.14Å
571	G	90.5	Very high	90.1	Very high	25 Å²	25	54.2 Å²	54.2	26%	0.258	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.6	175.1	0	0	0	0	0	112.7	E567 A568	E567-G571 WeakPolarHBondContact CA-O 3.38Å; A568-G571 PolarHBondContact N-O 3.14Å; A568-G571 PolarHBondContact O-N 3.03Å; A568-G571 VanDerWaalsContact O-N 3.1Å; A568-G571 VanDerWaalsContact O-O 3.1Å
572	T	95.1	Very high	90.3	Very high	86 Å²	86	56 Å²	56	53%	0.528	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.3	176.2	-50.6	0	0	0	0	109.6	T565 V566	T565-T572 HydrophobicContact CG2-CG2 3.45Å; T565-T572 VanDerWaalsContact CG2-CG2 3.45Å; V566-T572 CarbonylContact O-C 3.52Å; V566-T572 WeakPolarHBondContact O-CA 3.49Å
573	V	96.7	Very high	90.7	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130	177.4	-178	0	0	0	0	108.8	R506 A510 V566 V575 V590 N591	R506-V573 HydrophobicContact CB-CG2 4Å; A510-V573 HydrophobicContact CB-CB 3.73Å; A510-V573 HydrophobicContact CB-CG1 3.69Å; A510-V573 HydrophobicContact CB-CG2 4.29Å; V566-V573 PolarHBondContact N-O 3.04Å; V566-V573 PolarHBondContact O-N 2.76Å; V573-V575 HydrophobicContact CG1-CG2 4.01Å; V573-V590 HydrophobicContact CG1-CG1 3.47Å; V573-V590 VanDerWaalsContact CG1-CG1 3.47Å; V573-N591 WeakPolarHBondContact CA-OD1 3.45Å
574	E	96.9	Very high	90.7	Very high	93 Å²	93	50.3 Å²	50.3	44%	0.435	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.6	170.8	-170.9	177.3	96.1	0	0	109.6	V563 Y564 V590 N591	V563-E574 HydrophobicContact CG1-CG 3.51Å; Y564-E574 WeakPolarHBondContact O-CA 3.36Å; E574-V590 CarbonylContact O-C 3.55Å; E574-V590 WeakPolarHBondContact O-CA 3.39Å; E574-N591 PolarHBondContact N-OD1 2.93Å; E574-N591 PolarHBondContact O-N 2.96Å
575	V	96.5	Very high	90.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.2	176	-174.4	0	0	0	0	109.2	A510 A514 Y564 V573 W579 V588 S589	A510-V575 HydrophobicContact CB-CG2 3.77Å; A514-V575 HydrophobicContact CB-CB 4.3Å; A514-V575 HydrophobicContact CB-CG1 4.09Å; Y564-V575 PolarHBondContact N-O 3.09Å; Y564-V575 PolarHBondContact O-N 3.12Å; V573-V575 HydrophobicContact CG1-CG2 4.01Å; V575-W579 HydrophobicContact CG1-CZ2 3.86Å; V575-V588 HydrophobicContact CG1-CB 4.49Å; V575-S589 WeakPolarHBondContact CA-O 3.36Å
576	C	93.6	Very high	90.6	Very high	32 Å²	32	48.8 Å²	48.8	22%	0.216	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.2	173.8	-63.5	0	0	0	0	109	V588 S589	C576-V588 CarbonylContact O-C 3.59Å; C576-V588 WeakPolarHBondContact O-CA 3.28Å; C576-S589 PolarHBondContact N-O 3.15Å; C576-S589 PolarHBondContact O-N 3.49Å
577	G	80.1	Confident	90.5	Very high	18 Å²	18	51.9 Å²	51.9	19%	0.186	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	148.7	177.7	0	0	0	0	0	114.8	W579	G577-W579 PolarHBondContact O-N 2.91Å
578	Q	76.6	Confident	90.4	Very high	173 Å²	173	46.9 Å²	46.9	81%	0.808	31%	0.31	S	S	*	.			trans	-85.2	86.4	168	-69.5	-168.5	-3.5	0	0	109.1	N580	Q578-N580 PolarHBondContact O-N 3.2Å
579	W	86.1	Confident	90.6	Very high	33 Å²	33	48 Å²	48	13%	0.125	32%	0.318	C	S	.	.			trans	-72.1	84.2	-177.7	-61.7	100.3	0	0	0	112.3	S511 A514 L515 T518 Y564 V575 G577 L581 L586 V588	S511-W579 WeakPolarHBondContact O-CH2 3.19Å; A514-W579 HydrophobicContact CB-CH2 4.38Å; A514-W579 HydrophobicContact CB-CZ2 3.64Å; L515-W579 HydrophobicContact CB-CE3 4.14Å; L515-W579 HydrophobicContact CB-CH2 3.97Å; L515-W579 HydrophobicContact CB-CZ3 3.66Å; L515-W579 HydrophobicContact CD1-CE3 3.63Å; L515-W579 HydrophobicContact CD1-CZ3 3.86Å; L515-W579 HydrophobicContact CG-CE3 4.43Å; L515-W579 HydrophobicContact CG-CZ3 4.21Å; T518-W579 HydrophobicContact CG2-CB 3.45Å; T518-W579 VanDerWaalsContact CG2-CB 3.45Å; T518-W579 HydrophobicContact CG2-CG 3.92Å; Y564-W579 AromaticContact CD2-NE1 3.99Å; Y564-W579 AromaticContact CE2-CD1 3.91Å; Y564-W579 AromaticContact CE2-NE1 3.49Å; V575-W579 HydrophobicContact CG1-CZ2 3.86Å; G577-W579 PolarHBondContact O-N 2.91Å; W579-L581 HydrophobicContact CB-CD2 4.31Å; W579-L581 PolarHBondContact O-N 3.06Å; W579-L586 HydrophobicContact CE3-CB 4.47Å; W579-L586 HydrophobicContact CE3-CD1 4.23Å; W579-L586 HydrophobicContact CE3-CD2 4.31Å; W579-L586 HydrophobicContact CZ3-CB 4.29Å; W579-L586 HydrophobicContact CZ3-CD1 4.01Å; W579-V588 HydrophobicContact CE3-CG1 4.38Å; W579-V588 HydrophobicContact CH2-CG1 3.49Å; W579-V588 VanDerWaalsContact CH2-CG1 3.49Å; W579-V588 HydrophobicContact CZ2-CG1 3.7Å; W579-V588 HydrophobicContact CZ3-CG1 3.83Å
580	N	90.4	Very high	91.5	Very high	94 Å²	94	45.5 Å²	45.5	50%	0.503	29%	0.292	S	S	.	.			trans	-80.5	94.2	167.1	-176.9	2.1	0	0	0	109.9	Q578 A582 S583	Q578-N580 PolarHBondContact O-N 3.2Å; N580-A582 PolarHBondContact O-N 3.45Å; N580-A582 PolarHBondContact OD1-N 2.8Å; N580-A582 VanDerWaalsContact OD1-N 3.14Å; N580-S583 PolarHBondContact O-N 2.94Å
581	L	90.7	Very high	92	Very high	41 Å²	41	45 Å²	45	22%	0.215	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.2	-177.8	-57.1	-173.1	0	0	0	115.1	L515 T518 A519 R522 W579 R602	L515-L581 HydrophobicContact CD1-CD2 3.56Å; T518-L581 HydrophobicContact CG2-CD1 4.49Å; T518-L581 HydrophobicContact CG2-CD2 4.1Å; T518-L581 HydrophobicContact CG2-CG 4.46Å; A519-L581 HydrophobicContact CB-CD1 4.06Å; R522-L581 HydrophobicContact CB-CD1 3.94Å; R522-L581 HydrophobicContact CG-CD1 4.16Å; W579-L581 HydrophobicContact CB-CD2 4.31Å; W579-L581 PolarHBondContact O-N 3.06Å; L581-R602 VanDerWaalsContact CD2-NH1 3.27Å; L581-R602 PolarHBondContact O-NH2 3.14Å
582	A	90.8	Very high	92.1	Very high	92 Å²	92	46.6 Å²	46.6	76%	0.76	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.2	174.4	0	0	0	0	0	113	N580	N580-A582 PolarHBondContact O-N 3.45Å; N580-A582 PolarHBondContact OD1-N 2.8Å; N580-A582 VanDerWaalsContact OD1-N 3.14Å
583	S	93.2	Very high	91.9	Very high	35 Å²	35	44.2 Å²	44.2	25%	0.245	27%	0.272	C	S	.	.			trans	-86.9	141.2	175.3	-172.2	0	0	0	0	110.1	N580 L585	N580-S583 PolarHBondContact O-N 2.94Å; S583-L585 WeakPolarHBondContact CB-O 3.07Å; S583-L585 PolarHBondContact OG-N 3.02Å; S583-L585 PolarHBondContact OG-O 3.47Å; S583-L585 VanDerWaalsContact OG-O 3.12Å
584	P	92.9	Very high	91.7	Very high	12 Å²	12	50.5 Å²	50.5	8%	0.078	31%	0.306	C	S	.	.	S	Bend	trans	-68.2	-27.8	169	30.6	-38	0	0	0	112	E402 V457 Q598 C599	E402-P584 VanDerWaalsContact OE1-CG 3.29Å; E402-P584 WeakPolarHBondContact OE1-CG 3.34Å; V457-P584 HydrophobicContact CG1-CB 4.03Å; V457-P584 HydrophobicContact CG1-CG 4.19Å; V457-P584 HydrophobicContact CG2-CB 4.15Å; V457-P584 HydrophobicContact CG2-CG 3.96Å; P584-Q598 WeakPolarHBondContact O-CA 3.22Å; P584-C599 PolarHBondContact O-N 3.27Å
585	L	95.3	Very high	91.6	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.131	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.5	-178.4	-66.2	-179.9	0	0	0	110.4	V457 S583 P587 M596 Q598	V457-L585 HydrophobicContact CG2-CD1 4.24Å; V457-L585 HydrophobicContact CG2-CD2 3.58Å; V457-L585 HydrophobicContact CG2-CG 3.74Å; S583-L585 WeakPolarHBondContact CB-O 3.07Å; S583-L585 PolarHBondContact OG-N 3.02Å; S583-L585 PolarHBondContact OG-O 3.47Å; S583-L585 VanDerWaalsContact OG-O 3.12Å; L585-P587 WeakPolarHBondContact O-CD 3.46Å; L585-M596 HydrophobicContact CB-SD 3.76Å; L585-M596 HydrophobicContact CD2-CG 4.13Å; L585-M596 HydrophobicContact CD2-SD 4.04Å; L585-M596 HydrophobicContact CG-SD 4.39Å; L585-Q598 HydrophobicContact CD2-CG 3.89Å
586	L	95.3	Very high	91.5	Very high	2 Å²	2	51 Å²	51	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	88.5	-176.3	-60.6	176.6	0	0	0	108.7	L515 W579 V588 L597 C599	L515-L586 HydrophobicContact CD1-CD1 4.01Å; L515-L586 HydrophobicContact CD2-CD1 3.92Å; W579-L586 HydrophobicContact CE3-CB 4.47Å; W579-L586 HydrophobicContact CE3-CD1 4.23Å; W579-L586 HydrophobicContact CE3-CD2 4.31Å; W579-L586 HydrophobicContact CZ3-CB 4.29Å; W579-L586 HydrophobicContact CZ3-CD1 4.01Å; L586-V588 PolarHBondContact O-N 2.94Å; L586-L597 HydrophobicContact CB-CB 4.19Å; L586-L597 PolarHBondContact N-O 3.13Å; L586-L597 PolarHBondContact O-N 3.13Å; L586-L597 VanDerWaalsContact O-N 3.11Å; L586-C599 HydrophobicContact CD1-CB 3.52Å; L586-C599 HydrophobicContact CG-CB 4.41Å
587	P	94.4	Very high	91.6	Very high	65 Å²	65	49.6 Å²	49.6	42%	0.422	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124	171.8	25.1	-31	0	0	0	109.6	L585 M596	L585-P587 WeakPolarHBondContact O-CD 3.46Å; P587-M596 HydrophobicContact CB-CE 3.7Å; P587-M596 HydrophobicContact CG-CE 4.33Å
588	V	94.4	Very high	92.4	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.9	177.8	-58.9	0	0	0	0	109.9	V575 C576 W579 L586 V590 R595 L597	V575-V588 HydrophobicContact CG1-CB 4.49Å; C576-V588 CarbonylContact O-C 3.59Å; C576-V588 WeakPolarHBondContact O-CA 3.28Å; W579-V588 HydrophobicContact CE3-CG1 4.38Å; W579-V588 HydrophobicContact CH2-CG1 3.49Å; W579-V588 VanDerWaalsContact CH2-CG1 3.49Å; W579-V588 HydrophobicContact CZ2-CG1 3.7Å; W579-V588 HydrophobicContact CZ3-CG1 3.83Å; L586-V588 PolarHBondContact O-N 2.94Å; V588-V590 HydrophobicContact CG2-CG2 3.94Å; V588-R595 HydrophobicContact CG2-CB 3.84Å; V588-R595 PolarHBondContact N-O 2.85Å; V588-R595 PolarHBondContact O-N 2.94Å; V588-R595 VanDerWaalsContact O-O 3.05Å; V588-L597 HydrophobicContact CG1-CD1 4.49Å; V588-L597 HydrophobicContact CG2-CD1 3.86Å; V588-L597 HydrophobicContact CG2-CG 4Å
589	S	95.3	Very high	93.3	Very high	26 Å²	26	41.5 Å²	41.5	18%	0.182	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121	167.7	-172.7	0	0	0	0	107.8	V575 C576 G592 A593	V575-S589 WeakPolarHBondContact CA-O 3.36Å; C576-S589 PolarHBondContact N-O 3.15Å; C576-S589 PolarHBondContact O-N 3.49Å; S589-G592 VanDerWaalsContact OG-C 3.32Å; S589-G592 VanDerWaalsContact OG-CA 3.3Å; S589-G592 WeakPolarHBondContact OG-CA 3.45Å; S589-A593 CarbonylContact C-O 3.56Å; S589-A593 WeakPolarHBondContact CA-O 3.33Å
590	V	94.7	Very high	93.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116	179.6	-173.7	0	0	0	0	107.7	E507 V573 E574 V588 G592 A593 R595	E507-V590 HydrophobicContact CB-CG1 3.93Å; E507-V590 HydrophobicContact CG-CG1 3.63Å; V573-V590 HydrophobicContact CG1-CG1 3.47Å; V573-V590 VanDerWaalsContact CG1-CG1 3.47Å; E574-V590 CarbonylContact O-C 3.55Å; E574-V590 WeakPolarHBondContact O-CA 3.39Å; V588-V590 HydrophobicContact CG2-CG2 3.94Å; V590-G592 PolarHBondContact O-N 2.81Å; V590-G592 VanDerWaalsContact O-N 3.12Å; V590-A593 PolarHBondContact N-O 3.4Å; V590-A593 WeakPolarHBondContact O-CB 3.36Å; V590-A593 PolarHBondContact O-N 3.49Å; V590-R595 HydrophobicContact CB-CG 4.41Å; V590-R595 HydrophobicContact CG2-CG 4.13Å
591	N	93.6	Very high	93.7	Very high	82 Å²	82	41 Å²	41	44%	0.439	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	33.5	-172.5	-62.7	-29.4	0	0	0	113.6	V573 E574 A593	V573-N591 WeakPolarHBondContact CA-OD1 3.45Å; E574-N591 PolarHBondContact N-OD1 2.93Å; E574-N591 PolarHBondContact O-N 2.96Å; N591-A593 VanDerWaalsContact C-N 3.3Å; N591-A593 PolarHBondContact O-N 3.15Å
592	G	90.9	Very high	93.8	Very high	58 Å²	58	43.5 Å²	43.5	60%	0.598	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-4.1	-177.6	0	0	0	0	0	115.1	S589 V590	S589-G592 VanDerWaalsContact OG-C 3.32Å; S589-G592 VanDerWaalsContact OG-CA 3.3Å; S589-G592 WeakPolarHBondContact OG-CA 3.45Å; V590-G592 PolarHBondContact O-N 2.81Å; V590-G592 VanDerWaalsContact O-N 3.12Å
593	A	92.5	Very high	93.8	Very high	36 Å²	36	43.1 Å²	43.1	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.2	173.7	0	0	0	0	0	110.7	S589 V590 N591	S589-A593 CarbonylContact C-O 3.56Å; S589-A593 WeakPolarHBondContact CA-O 3.33Å; V590-A593 PolarHBondContact N-O 3.4Å; V590-A593 WeakPolarHBondContact O-CB 3.36Å; V590-A593 PolarHBondContact O-N 3.49Å; N591-A593 VanDerWaalsContact C-N 3.3Å; N591-A593 PolarHBondContact O-N 3.15Å
594	D	92.8	Very high	93.5	Very high	136 Å²	136	47 Å²	47	73%	0.727	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	139.3	177.1	-66.1	-26.4	0	0	0	110.7
595	R	93.3	Very high	93.3	Very high	80 Å²	80	48.8 Å²	48.8	30%	0.302	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.2	178.6	-63.2	-68.7	-176.3	-100.1	-0.9	109.3	E507 V588 V590	E507-R595 IonicContact OE1-NH2 2.75Å; E507-R595 IonicContact OE2-CZ 3.5Å; E507-R595 IonicContact OE2-NE 2.69Å; E507-R595 PolarHBondContact OE2-NE 2.79Å; E507-R595 IonicContact OE2-NH2 3.58Å; V588-R595 HydrophobicContact CG2-CB 3.84Å; V588-R595 PolarHBondContact N-O 2.85Å; V588-R595 PolarHBondContact O-N 2.94Å; V588-R595 VanDerWaalsContact O-O 3.05Å; V590-R595 HydrophobicContact CB-CG 4.41Å; V590-R595 HydrophobicContact CG2-CG 4.13Å
596	M	95.3	Very high	93.2	Very high	24 Å²	24	47.8 Å²	47.8	12%	0.118	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.6	169.1	-174.5	53.5	64.5	0	0	109.2	D454 H455 L585 P587	D454-M596 HydrophobicContact CB-CB 4.14Å; H455-M596 WeakPolarHBondContact NE2-CE 3.49Å; L585-M596 HydrophobicContact CB-SD 3.76Å; L585-M596 HydrophobicContact CD2-CG 4.13Å; L585-M596 HydrophobicContact CD2-SD 4.04Å; L585-M596 HydrophobicContact CG-SD 4.39Å; P587-M596 HydrophobicContact CB-CE 3.7Å; P587-M596 HydrophobicContact CG-CE 4.33Å
597	L	95.9	Very high	93.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	149.4	173.3	-54.9	177.9	0	0	0	109.3	L586 V588 Y612	L586-L597 HydrophobicContact CB-CB 4.19Å; L586-L597 PolarHBondContact N-O 3.13Å; L586-L597 PolarHBondContact O-N 3.13Å; L586-L597 VanDerWaalsContact O-N 3.11Å; V588-L597 HydrophobicContact CG1-CD1 4.49Å; V588-L597 HydrophobicContact CG2-CD1 3.86Å; V588-L597 HydrophobicContact CG2-CG 4Å; L597-Y612 HydrophobicContact CD2-CD2 3.28Å; L597-Y612 HydrophobicContact CD2-CE2 3.99Å; L597-Y612 HydrophobicContact CD2-CG 4.07Å
598	Q	96.3	Very high	93.2	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.3	166.2	-41.8	-168.6	11.1	0	0	110.9	D454 Y456 R459 P584 L585 L600 L610 Q611	D454-Q598 PolarHBondContact O-NE2 3.46Å; Y456-Q598 PolarHBondContact O-NE2 3Å; R459-Q598 VanDerWaalsContact NH1-OE1 3.15Å; P584-Q598 WeakPolarHBondContact O-CA 3.22Å; L585-Q598 HydrophobicContact CD2-CG 3.89Å; Q598-L600 HydrophobicContact CB-CD1 4.33Å; Q598-L610 CarbonylContact O-C 3.58Å; Q598-L610 WeakPolarHBondContact O-CA 3.25Å; Q598-Q611 HydrophobicContact CB-CB 3.86Å; Q598-Q611 HydrophobicContact CG-CB 4.23Å; Q598-Q611 PolarHBondContact N-O 3.19Å; Q598-Q611 VanDerWaalsContact N-O 3.12Å; Q598-Q611 PolarHBondContact O-N 3.3Å
599	C	95	Very high	93.3	Very high	19 Å²	19	46.6 Å²	46.6	13%	0.128	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109.9	173.8	174.9	0	0	0	0	109.9	L515 P584 L586 L610	L515-C599 HydrophobicContact CD2-CB 4.31Å; P584-C599 PolarHBondContact O-N 3.27Å; L586-C599 HydrophobicContact CD1-CB 3.52Å; L586-C599 HydrophobicContact CG-CB 4.41Å; C599-L610 HydrophobicContact CB-CD2 3.85Å
600	L	92.9	Very high	93.4	Very high	60 Å²	60	45.3 Å²	45.3	31%	0.314	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-43.4	-179.2	-81	73.8	0	0	0	111.7	Q598 V609 Q611 L616	Q598-L600 HydrophobicContact CB-CD1 4.33Å; L600-V609 HydrophobicContact CB-CB 4.19Å; L600-V609 HydrophobicContact CB-CG1 4.05Å; L600-V609 HydrophobicContact CD2-CG1 4.34Å; L600-V609 PolarHBondContact N-O 3.23Å; L600-Q611 HydrophobicContact CD1-CB 3.93Å; L600-L616 HydrophobicContact CD1-CD2 3.6Å; L600-L616 HydrophobicContact CD2-CD1 3.94Å; L600-L616 HydrophobicContact CD2-CD2 3.5Å; L600-L616 VanDerWaalsContact CD2-CD2 3.5Å; L600-L616 HydrophobicContact CD2-CG 4.39Å; L600-L616 HydrophobicContact CG-CD2 4.19Å
601	S	92.8	Very high	93.4	Very high	58 Å²	58	45.5 Å²	45.5	41%	0.406	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	153.9	-179.6	68.1	0	0	0	0	112.2	I608 V609	S601-I608 WeakPolarHBondContact O-CA 3.31Å; S601-V609 PolarHBondContact O-N 3.22Å; S601-V609 VanDerWaalsContact OG-CG2 3.31Å; S601-V609 WeakPolarHBondContact OG-CG2 3.24Å
602	R	92.9	Very high	93.5	Very high	92 Å²	92	41.8 Å²	41.8	35%	0.347	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	139	170.8	-68.5	173.6	-64.8	168.4	-0.8	108.2	L581 T607 I608	L581-R602 VanDerWaalsContact CD2-NH1 3.27Å; L581-R602 PolarHBondContact O-NH2 3.14Å; R602-T607 VanDerWaalsContact CA-O 3.31Å; R602-T607 WeakPolarHBondContact CA-O 3.42Å; R602-I608 HydrophobicContact CG-CB 4.37Å; R602-I608 HydrophobicContact CG-CD1 4.34Å; R602-I608 HydrophobicContact CG-CG1 4.06Å; R602-I608 HydrophobicContact CG-CG2 3.94Å
603	D	90.9	Very high	93.7	Very high	85 Å²	85	40.8 Å²	40.8	46%	0.455	24%	0.236	S	C	.	.			trans	-129	173.2	175.2	72.1	29.2	0	0	0	112.9	S605 G606 T607	D603-S605 VanDerWaalsContact CG-OG 3.28Å; D603-S605 PolarHBondContact O-N 3.2Å; D603-S605 WeakPolarHBondContact OD1-CA 3.44Å; D603-S605 VanDerWaalsContact OD1-CB 3.27Å; D603-S605 WeakPolarHBondContact OD1-CB 3.44Å; D603-S605 PolarHBondContact OD1-N 3.38Å; D603-S605 PolarHBondContact OD1-OG 2.76Å; D603-S605 PolarHBondContact OD2-OG 3.13Å; D603-G606 PolarHBondContact O-N 2.9Å; D603-G606 PolarHBondContact OD1-N 3.06Å; D603-T607 PolarHBondContact N-O 3Å; D603-T607 WeakPolarHBondContact OD1-CB 3.38Å; D603-T607 PolarHBondContact OD1-N 3.35Å; D603-T607 VanDerWaalsContact OD1-N 3.09Å; D603-T607 WeakPolarHBondContact OD2-CB 3.38Å
604	A	87.1	Confident	93.6	Very high	115 Å²	115	39 Å²	39	95%	0.95	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.7	-179.1	0	0	0	0	0	113.7	G606	A604-G606 PolarHBondContact O-N 2.92Å
605	S	88.4	Confident	93.7	Very high	51 Å²	51	32.9 Å²	32.9	36%	0.357	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.4	175.6	79.2	0	0	0	0	113	D603 T607 L622	D603-S605 VanDerWaalsContact CG-OG 3.28Å; D603-S605 PolarHBondContact O-N 3.2Å; D603-S605 WeakPolarHBondContact OD1-CA 3.44Å; D603-S605 VanDerWaalsContact OD1-CB 3.27Å; D603-S605 WeakPolarHBondContact OD1-CB 3.44Å; D603-S605 PolarHBondContact OD1-N 3.38Å; D603-S605 PolarHBondContact OD1-OG 2.76Å; D603-S605 PolarHBondContact OD2-OG 3.13Å; S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact OG-OG1 2.93Å; S605-L622 WeakPolarHBondContact O-CD2 3.32Å
606	G	91.6	Very high	93.7	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.031	19%	0.194	C	C	.	.	S	Bend	trans	85.4	5.5	-173.2	0	0	0	0	0	113.2	D603 A604 I608 R620 I621	D603-G606 PolarHBondContact O-N 2.9Å; D603-G606 PolarHBondContact OD1-N 3.06Å; A604-G606 PolarHBondContact O-N 2.92Å; G606-I608 PolarHBondContact O-N 2.78Å; G606-R620 WeakPolarHBondContact O-CA 3.25Å; G606-I621 WeakPolarHBondContact CA-O 3.32Å; G606-I621 PolarHBondContact O-N 2.6Å
607	T	95.3	Very high	93.8	Very high	17 Å²	17	32.9 Å²	32.9	10%	0.104	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.8	175.3	-58.9	0	0	0	0	109.3	R602 D603 S605 K618 L619	R602-T607 VanDerWaalsContact CA-O 3.31Å; R602-T607 WeakPolarHBondContact CA-O 3.42Å; D603-T607 PolarHBondContact N-O 3Å; D603-T607 WeakPolarHBondContact OD1-CB 3.38Å; D603-T607 PolarHBondContact OD1-N 3.35Å; D603-T607 VanDerWaalsContact OD1-N 3.09Å; D603-T607 WeakPolarHBondContact OD2-CB 3.38Å; S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact OG-OG1 2.93Å; T607-K618 HydrophobicContact CG2-CD 4.43Å; T607-K618 HydrophobicContact CG2-CG 4.03Å; T607-L619 CarbonylContact C-O 3.56Å; T607-L619 VanDerWaalsContact CA-O 3.32Å; T607-L619 WeakPolarHBondContact CA-O 3.35Å
608	I	95.9	Very high	93.8	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.2	173.2	-51.6	-166.7	0	0	0	107.8	L515 Y516 S601 R602 G606 L610 L619 I621	L515-I608 HydrophobicContact CD2-CD1 4.46Å; L515-I608 HydrophobicContact CD2-CG2 4.08Å; Y516-I608 HydrophobicContact CD2-CD1 4.36Å; S601-I608 WeakPolarHBondContact O-CA 3.31Å; R602-I608 HydrophobicContact CG-CB 4.37Å; R602-I608 HydrophobicContact CG-CD1 4.34Å; R602-I608 HydrophobicContact CG-CG1 4.06Å; R602-I608 HydrophobicContact CG-CG2 3.94Å; G606-I608 PolarHBondContact O-N 2.78Å; I608-L610 HydrophobicContact CG2-CD1 4.39Å; I608-L610 HydrophobicContact CG2-CD2 3.76Å; I608-L610 HydrophobicContact CG2-CG 3.71Å; I608-L619 PolarHBondContact N-O 2.8Å; I608-L619 PolarHBondContact O-N 2.83Å; I608-I621 HydrophobicContact CD1-CD1 3.92Å
609	V	96.2	Very high	93.8	Very high	27 Å²	27	39.9 Å²	39.9	16%	0.164	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112	169.4	-176.5	0	0	0	0	108.4	L600 S601 F617 K618	L600-V609 HydrophobicContact CB-CB 4.19Å; L600-V609 HydrophobicContact CB-CG1 4.05Å; L600-V609 HydrophobicContact CD2-CG1 4.34Å; L600-V609 PolarHBondContact N-O 3.23Å; S601-V609 PolarHBondContact O-N 3.22Å; S601-V609 VanDerWaalsContact OG-CG2 3.31Å; S601-V609 WeakPolarHBondContact OG-CG2 3.24Å; V609-F617 WeakPolarHBondContact CA-O 3.19Å; V609-K618 HydrophobicContact CG2-CB 4.48Å; V609-K618 HydrophobicContact CG2-CG 4.32Å
610	L	96.3	Very high	93.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.2	178.1	-67.4	-176.3	0	0	0	110.5	L508 A512 L515 Q598 C599 I608 L616 F617 L619	L508-L610 HydrophobicContact CD1-CD1 4.3Å; A512-L610 HydrophobicContact CB-CD1 3.8Å; L515-L610 HydrophobicContact CD2-CD2 3.7Å; Q598-L610 CarbonylContact O-C 3.58Å; Q598-L610 WeakPolarHBondContact O-CA 3.25Å; C599-L610 HydrophobicContact CB-CD2 3.85Å; I608-L610 HydrophobicContact CG2-CD1 4.39Å; I608-L610 HydrophobicContact CG2-CD2 3.76Å; I608-L610 HydrophobicContact CG2-CG 3.71Å; L610-L616 WeakPolarHBondContact O-CA 3.44Å; L610-F617 PolarHBondContact N-O 3.15Å; L610-F617 PolarHBondContact O-N 2.84Å; L610-L619 HydrophobicContact CB-CD1 4.32Å; L610-L619 HydrophobicContact CD1-CD1 4.34Å; L610-L619 HydrophobicContact CG-CD1 4.34Å
611	Q	96.2	Very high	94.1	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.8	159.9	-163.1	173.6	4.1	0	0	108.9	Q598 L600 G614 T615 L616	Q598-Q611 HydrophobicContact CB-CB 3.86Å; Q598-Q611 HydrophobicContact CG-CB 4.23Å; Q598-Q611 PolarHBondContact N-O 3.19Å; Q598-Q611 VanDerWaalsContact N-O 3.12Å; Q598-Q611 PolarHBondContact O-N 3.3Å; L600-Q611 HydrophobicContact CD1-CB 3.93Å; Q611-G614 PolarHBondContact NE2-O 2.93Å; Q611-T615 CarbonylContact C-O 3.56Å; Q611-T615 VanDerWaalsContact CA-O 3.28Å; Q611-T615 WeakPolarHBondContact CA-O 3.31Å; Q611-L616 HydrophobicContact CB-CD2 3.72Å; Q611-L616 HydrophobicContact CG-CD2 3.93Å
612	Y	95.5	Very high	94.2	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.2	177.5	178.6	-129.6	0	0	0	109.2	L500 E507 L508 L597 G614 T615 F617	L500-Y612 HydrophobicContact CD2-CD1 4.04Å; L500-Y612 HydrophobicContact CD2-CE1 4.07Å; E507-Y612 PolarHBondContact OE2-OH 2.85Å; L508-Y612 HydrophobicContact CB-CD1 3.97Å; L508-Y612 HydrophobicContact CB-CE1 4.15Å; L508-Y612 HydrophobicContact CD1-CD1 4.05Å; L508-Y612 HydrophobicContact CD1-CG 4.12Å; L508-Y612 HydrophobicContact CD2-CD1 4.48Å; L508-Y612 HydrophobicContact CG-CD1 4.38Å; L597-Y612 HydrophobicContact CD2-CD2 3.28Å; L597-Y612 HydrophobicContact CD2-CE2 3.99Å; L597-Y612 HydrophobicContact CD2-CG 4.07Å; Y612-G614 VanDerWaalsContact C-N 3.26Å; Y612-G614 PolarHBondContact O-N 2.9Å; Y612-T615 PolarHBondContact N-O 2.94Å; Y612-T615 PolarHBondContact O-N 3.48Å; Y612-F617 HydrophobicContact CD1-CE2 4.26Å
613	M	93.6	Very high	94.3	Very high	37 Å²	37	35.5 Å²	35.5	18%	0.182	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	49.9	-174.6	-63.3	174.8	165.1	0	0	111.4	T615	M613-T615 PolarHBondContact O-N 2.83Å
614	G	91.6	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	-16	-175.5	0	0	0	0	0	116.5	D454 P466 Q611 Y612	D454-G614 PolarHBondContact OD1-N 3.38Å; P466-G614 WeakPolarHBondContact CA-O 3.32Å; P466-G614 VanDerWaalsContact CB-O 3.23Å; P466-G614 WeakPolarHBondContact CB-O 3.37Å; P466-G614 WeakPolarHBondContact CG-O 3.48Å; Q611-G614 PolarHBondContact NE2-O 2.93Å; Y612-G614 VanDerWaalsContact C-N 3.26Å; Y612-G614 PolarHBondContact O-N 2.9Å
615	T	94.3	Very high	94.6	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143	-172.8	-63.2	0	0	0	0	112.6	H498 Q611 Y612 M613 F617	H498-T615 HydrophobicContact CB-CG2 4.39Å; H498-T615 WeakPolarHBondContact CB-OG1 3.23Å; H498-T615 PolarHBondContact N-OG1 3.08Å; Q611-T615 CarbonylContact C-O 3.56Å; Q611-T615 VanDerWaalsContact CA-O 3.28Å; Q611-T615 WeakPolarHBondContact CA-O 3.31Å; Y612-T615 PolarHBondContact N-O 2.94Å; Y612-T615 PolarHBondContact O-N 3.48Å; M613-T615 PolarHBondContact O-N 2.83Å; T615-F617 HydrophobicContact CG2-CD2 4.45Å; T615-F617 HydrophobicContact CG2-CE1 4.17Å; T615-F617 HydrophobicContact CG2-CE2 3.83Å; T615-F617 HydrophobicContact CG2-CZ 3.66Å; T615-F617 WeakPolarHBondContact O-CD2 3.43Å
616	L	94.3	Very high	94.8	Very high	79 Å²	79	36.1 Å²	36.1	41%	0.414	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.3	177.8	-63.7	-179.1	0	0	0	110.9	L600 L610 Q611	L600-L616 HydrophobicContact CD1-CD2 3.6Å; L600-L616 HydrophobicContact CD2-CD1 3.94Å; L600-L616 HydrophobicContact CD2-CD2 3.5Å; L600-L616 VanDerWaalsContact CD2-CD2 3.5Å; L600-L616 HydrophobicContact CD2-CG 4.39Å; L600-L616 HydrophobicContact CG-CD2 4.19Å; L610-L616 WeakPolarHBondContact O-CA 3.44Å; Q611-L616 HydrophobicContact CB-CD2 3.72Å; Q611-L616 HydrophobicContact CG-CD2 3.93Å
617	F	96.2	Very high	94.9	Very high	25 Å²	25	36.2 Å²	36.2	11%	0.11	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.8	173.5	-62.5	-80	0	0	0	110	L500 L508 L548 V609 L610 Y612 T615 L619	L500-F617 HydrophobicContact CD1-CD1 3.95Å; L500-F617 HydrophobicContact CD1-CE1 3.47Å; L500-F617 VanDerWaalsContact CD1-CE1 3.47Å; L500-F617 HydrophobicContact CD1-CZ 3.84Å; L500-F617 HydrophobicContact CD2-CE1 4.23Å; L500-F617 HydrophobicContact CD2-CE2 4.17Å; L500-F617 HydrophobicContact CD2-CZ 3.69Å; L500-F617 HydrophobicContact CG-CE1 3.71Å; L500-F617 HydrophobicContact CG-CZ 3.65Å; L508-F617 HydrophobicContact CD1-CD2 4.43Å; L508-F617 HydrophobicContact CD2-CB 3.74Å; L508-F617 HydrophobicContact CD2-CD1 3.91Å; L508-F617 HydrophobicContact CD2-CD2 3.73Å; L508-F617 HydrophobicContact CD2-CE1 4.48Å; L508-F617 HydrophobicContact CD2-CE2 4.31Å; L508-F617 HydrophobicContact CD2-CG 3.49Å; L508-F617 VanDerWaalsContact CD2-CG 3.49Å; L548-F617 HydrophobicContact CD1-CB 4.31Å; L548-F617 HydrophobicContact CD1-CD1 4.22Å; V609-F617 WeakPolarHBondContact CA-O 3.19Å; L610-F617 PolarHBondContact N-O 3.15Å; L610-F617 PolarHBondContact O-N 2.84Å; Y612-F617 HydrophobicContact CD1-CE2 4.26Å; T615-F617 HydrophobicContact CG2-CD2 4.45Å; T615-F617 HydrophobicContact CG2-CE1 4.17Å; T615-F617 HydrophobicContact CG2-CE2 3.83Å; T615-F617 HydrophobicContact CG2-CZ 3.66Å; T615-F617 WeakPolarHBondContact O-CD2 3.43Å; F617-L619 HydrophobicContact CB-CD1 4.05Å
618	K	96.3	Very high	94.8	Very high	149 Å²	149	39.4 Å²	39.4	65%	0.648	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96	116.1	171.2	-178	178.4	178.4	-177.1	0	108.4	T607 V609	T607-K618 HydrophobicContact CG2-CD 4.43Å; T607-K618 HydrophobicContact CG2-CG 4.03Å; V609-K618 HydrophobicContact CG2-CB 4.48Å; V609-K618 HydrophobicContact CG2-CG 4.32Å
619	L	97.1	Very high	94.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149	177.5	-54.6	102.6	0	0	0	109.7	L508 L509 A512 V546 E547 L548 T607 I608 L610 F617	L508-L619 HydrophobicContact CD1-CD1 4.36Å; L508-L619 HydrophobicContact CD2-CD2 4.4Å; L508-L619 HydrophobicContact CG-CD2 4.17Å; L509-L619 HydrophobicContact CD2-CD2 4.26Å; A512-L619 HydrophobicContact CB-CD1 4.23Å; A512-L619 HydrophobicContact CB-CD2 3.86Å; A512-L619 HydrophobicContact CB-CG 4.49Å; V546-L619 HydrophobicContact CG1-CB 4.39Å; V546-L619 HydrophobicContact CG1-CD2 3.88Å; E547-L619 VanDerWaalsContact O-CA 3.32Å; E547-L619 WeakPolarHBondContact O-CA 3.35Å; L548-L619 HydrophobicContact CD1-CD2 4.18Å; L548-L619 HydrophobicContact CD1-CG 4.08Å; T607-L619 CarbonylContact C-O 3.56Å; T607-L619 VanDerWaalsContact CA-O 3.32Å; T607-L619 WeakPolarHBondContact CA-O 3.35Å; I608-L619 PolarHBondContact N-O 2.8Å; I608-L619 PolarHBondContact O-N 2.83Å; L610-L619 HydrophobicContact CB-CD1 4.32Å; L610-L619 HydrophobicContact CD1-CD1 4.34Å; L610-L619 HydrophobicContact CG-CD1 4.34Å; F617-L619 HydrophobicContact CB-CD1 4.05Å
620	R	96.2	Very high	94.3	Very high	68 Å²	68	43.5 Å²	43.5	26%	0.257	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.3	168.4	-169.5	178.1	178.9	-154.2	-3.6	109.7	V546 E547 G606 L622 D630	V546-R620 CarbonylContact C-O 3.54Å; V546-R620 WeakPolarHBondContact CA-O 3.4Å; E547-R620 HydrophobicContact CB-CB 4.13Å; E547-R620 HydrophobicContact CG-CB 4.32Å; E547-R620 PolarHBondContact N-O 2.79Å; E547-R620 PolarHBondContact O-N 2.95Å; E547-R620 WeakPolarHBondContact OE2-CD 3.46Å; E547-R620 IonicContact OE2-NH1 3.15Å; G606-R620 WeakPolarHBondContact O-CA 3.25Å; R620-L622 HydrophobicContact CG-CG 4.43Å; R620-D630 IonicContact CZ-OD1 2.93Å; R620-D630 VanDerWaalsContact CZ-OD1 3.26Å; R620-D630 IonicContact CZ-OD2 3.91Å; R620-D630 VanDerWaalsContact NH1-CG 3.33Å; R620-D630 IonicContact NH1-OD1 3.93Å; R620-D630 PolarHBondContact NH1-OD1 3.01Å; R620-D630 IonicContact NH1-OD2 3.07Å; R620-D630 PolarHBondContact NH1-OD2 2.83Å; R620-D630 IonicContact NH2-OD1 2.79Å; R620-D630 PolarHBondContact NH2-OD1 2.81Å
621	I	96.9	Very high	93.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.9	-173.5	-54.5	179.2	0	0	0	109.1	A512 Y516 L544 V546 G606 I608	A512-I621 HydrophobicContact CB-CD1 3.76Å; A512-I621 WeakPolarHBondContact O-CD1 3.45Å; Y516-I621 HydrophobicContact CD1-CB 4.48Å; Y516-I621 HydrophobicContact CD1-CG2 3.68Å; Y516-I621 HydrophobicContact CD2-CB 3.92Å; Y516-I621 HydrophobicContact CD2-CG2 4.03Å; Y516-I621 HydrophobicContact CE1-CG2 4.09Å; Y516-I621 HydrophobicContact CE2-CB 4.3Å; Y516-I621 HydrophobicContact CE2-CG2 4.39Å; Y516-I621 WeakPolarHBondContact CE2-O 3.22Å; Y516-I621 HydrophobicContact CG-CB 4.01Å; Y516-I621 HydrophobicContact CG-CD1 4.42Å; Y516-I621 HydrophobicContact CG-CG2 3.65Å; L544-I621 HydrophobicContact CB-CG2 4.42Å; L544-I621 HydrophobicContact CD1-CG2 3.98Å; V546-I621 HydrophobicContact CG1-CG1 4.08Å; V546-I621 HydrophobicContact CG2-CG1 4.1Å; V546-I621 HydrophobicContact CG2-CG2 4.29Å; G606-I621 WeakPolarHBondContact CA-O 3.32Å; G606-I621 PolarHBondContact O-N 2.6Å; I608-I621 HydrophobicContact CD1-CD1 3.92Å
622	L	95.6	Very high	93.6	Very high	15 Å²	15	55.3 Å²	55.3	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.5	-178.5	-62.1	177.8	0	0	0	109.5	L544 C545 S605 R620 A626 A627 D630	L544-L622 CarbonylContact C-O 3.55Å; L544-L622 VanDerWaalsContact CA-O 3.32Å; L544-L622 WeakPolarHBondContact CA-O 3.49Å; C545-L622 PolarHBondContact N-O 2.85Å; C545-L622 PolarHBondContact O-N 2.74Å; S605-L622 WeakPolarHBondContact O-CD2 3.32Å; R620-L622 HydrophobicContact CG-CG 4.43Å; L622-A626 HydrophobicContact CB-CB 4.07Å; L622-A626 HydrophobicContact CD2-CB 4.4Å; L622-A627 HydrophobicContact CB-CB 4.14Å; L622-A627 HydrophobicContact CD1-CB 4.19Å; L622-D630 HydrophobicContact CD1-CB 4.05Å
623	S	94.4	Very high	93.3	Very high	54 Å²	54	60.9 Å²	60.9	38%	0.378	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	154.5	160.7	64.9	0	0	0	0	109.5	R625 A626 A627	S623-R625 PolarHBondContact O-N 3.44Å; S623-A626 PolarHBondContact O-N 2.97Å; S623-A626 WeakPolarHBondContact OG-CB 3.24Å; S623-A626 PolarHBondContact OG-N 3.09Å; S623-A627 PolarHBondContact O-N 2.8Å
624	Q	92.1	Very high	92.8	Very high	71 Å²	71	64.9 Å²	64.9	33%	0.332	32%	0.323	S	S	.	.	H	α-helix	trans	-49.8	-46.8	177.6	-174.5	175.4	17.1	0	0	112.2	E543 A626 A627 E628	E543-Q624 HydrophobicContact CB-CB 4.3Å; E543-Q624 PolarHBondContact O-N 2.9Å; E543-Q624 VanDerWaalsContact O-N 3.15Å; E543-Q624 PolarHBondContact OE2-OE1 2.92Å; Q624-A626 VanDerWaalsContact C-N 3.34Å; Q624-A626 PolarHBondContact O-N 3.25Å; Q624-A627 PolarHBondContact O-N 2.85Å; Q624-E628 WeakPolarHBondContact O-CG 3.36Å; Q624-E628 PolarHBondContact O-N 3.36Å
625	R	92.9	Very high	92.2	Very high	158 Å²	158	73.8 Å²	73.8	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-62.7	-38.1	177.4	-175.2	55.6	175.3	175.9	1.3	113.4	S623 E628 L629	S623-R625 PolarHBondContact O-N 3.44Å; R625-E628 VanDerWaalsContact CD-OE2 3.28Å; R625-E628 WeakPolarHBondContact CD-OE2 3.43Å; R625-E628 IonicContact CZ-OE2 3.74Å; R625-E628 IonicContact NE-OE2 3.96Å; R625-E628 IonicContact NH1-OE2 2.76Å; R625-E628 PolarHBondContact NH1-OE2 2.83Å; R625-L629 WeakPolarHBondContact O-CG 3.42Å; R625-L629 PolarHBondContact O-N 3.32Å
626	A	93.5	Very high	91.2	Very high	35 Å²	35	83.4 Å²	83.4	29%	0.289	41%	0.406	S	S	.	.	H	α-helix	trans	-68.5	-38.1	177.3	0	0	0	0	0	111.4	L622 S623 Q624 L629 D630	L622-A626 HydrophobicContact CB-CB 4.07Å; L622-A626 HydrophobicContact CD2-CB 4.4Å; S623-A626 PolarHBondContact O-N 2.97Å; S623-A626 WeakPolarHBondContact OG-CB 3.24Å; S623-A626 PolarHBondContact OG-N 3.09Å; Q624-A626 VanDerWaalsContact C-N 3.34Å; Q624-A626 PolarHBondContact O-N 3.25Å; A626-L629 PolarHBondContact O-N 2.55Å; A626-D630 WeakPolarHBondContact O-CB 3.4Å; A626-D630 PolarHBondContact O-N 2.82Å
627	A	92.8	Very high	90.2	Very high	6 Å²	6	85.9 Å²	85.9	5%	0.05	42%	0.424	C	S	.	.	H	α-helix	trans	-67.1	-36.5	176.4	0	0	0	0	0	113.3	C545 R552 L622 S623 Q624 L629 D630 S631	C545-A627 HydrophobicContact CB-CB 3.44Å; C545-A627 VanDerWaalsContact CB-CB 3.44Å; R552-A627 PolarHBondContact NH1-O 2.85Å; R552-A627 VanDerWaalsContact NH1-O 3.15Å; L622-A627 HydrophobicContact CB-CB 4.14Å; L622-A627 HydrophobicContact CD1-CB 4.19Å; S623-A627 PolarHBondContact O-N 2.8Å; Q624-A627 PolarHBondContact O-N 2.85Å; A627-L629 VanDerWaalsContact C-N 3.33Å; A627-D630 PolarHBondContact O-N 3.4Å; A627-S631 PolarHBondContact O-N 3.29Å
628	E	92.4	Very high	88.5	Confident	84 Å²	84	89.7 Å²	89.7	39%	0.393	45%	0.454	S	S	.	.	H	α-helix	trans	-58.4	-46.3	169.8	-72.2	172.1	-175.2	0	0	111	Q624 R625 S631 Y632	Q624-E628 WeakPolarHBondContact O-CG 3.36Å; Q624-E628 PolarHBondContact O-N 3.36Å; R625-E628 VanDerWaalsContact CD-OE2 3.28Å; R625-E628 WeakPolarHBondContact CD-OE2 3.43Å; R625-E628 IonicContact CZ-OE2 3.74Å; R625-E628 IonicContact NE-OE2 3.96Å; R625-E628 IonicContact NH1-OE2 2.76Å; R625-E628 PolarHBondContact NH1-OE2 2.83Å; E628-S631 WeakPolarHBondContact O-CB 3.48Å; E628-S631 PolarHBondContact O-N 3.38Å; E628-S631 PolarHBondContact O-OG 3.31Å; E628-Y632 WeakPolarHBondContact O-CD2 3.32Å; E628-Y632 WeakPolarHBondContact O-CE2 3.39Å
629	L	93.3	Very high	86.9	Confident	86 Å²	86	91.1 Å²	91.1	45%	0.45	46%	0.463	S	S	.	.	H	α-helix	trans	-70.3	-35.6	-179.6	-67.4	174.8	0	0	0	112.6	R625 A626 A627 S631 Y632	R625-L629 WeakPolarHBondContact O-CG 3.42Å; R625-L629 PolarHBondContact O-N 3.32Å; A626-L629 PolarHBondContact O-N 2.55Å; A627-L629 VanDerWaalsContact C-N 3.33Å; L629-S631 PolarHBondContact O-N 2.73Å; L629-Y632 PolarHBondContact O-N 2.74Å; L629-Y632 VanDerWaalsContact O-N 3.15Å
630	D	89.3	Confident	85.3	Confident	30 Å²	30	97.3 Å²	97.3	16%	0.16	50%	0.496	C	S	.	.	H	α-helix	trans	-63.5	-29	177.1	-168.7	79.1	0	0	0	112	R552 R620 L622 A626 A627 Y632 M633	R552-D630 IonicContact NH2-OD2 3.12Å; R552-D630 PolarHBondContact NH2-OD2 2.68Å; R552-D630 VanDerWaalsContact NH2-OD2 3.12Å; R620-D630 IonicContact CZ-OD1 2.93Å; R620-D630 VanDerWaalsContact CZ-OD1 3.26Å; R620-D630 IonicContact CZ-OD2 3.91Å; R620-D630 VanDerWaalsContact NH1-CG 3.33Å; R620-D630 IonicContact NH1-OD1 3.93Å; R620-D630 PolarHBondContact NH1-OD1 3.01Å; R620-D630 IonicContact NH1-OD2 3.07Å; R620-D630 PolarHBondContact NH1-OD2 2.83Å; R620-D630 IonicContact NH2-OD1 2.79Å; R620-D630 PolarHBondContact NH2-OD1 2.81Å; L622-D630 HydrophobicContact CD1-CB 4.05Å; A626-D630 WeakPolarHBondContact O-CB 3.4Å; A626-D630 PolarHBondContact O-N 2.82Å; A627-D630 PolarHBondContact O-N 3.4Å; D630-Y632 PolarHBondContact O-N 3.44Å; D630-M633 VanDerWaalsContact O-CB 3.32Å; D630-M633 WeakPolarHBondContact O-CB 3.45Å; D630-M633 PolarHBondContact O-N 3.43Å
631	S	87.4	Confident	83.8	Confident	69 Å²	69	98 Å²	98	48%	0.483	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.4	174.8	76.7	0	0	0	0	114.5	A627 E628 L629	A627-S631 PolarHBondContact O-N 3.29Å; E628-S631 WeakPolarHBondContact O-CB 3.48Å; E628-S631 PolarHBondContact O-N 3.38Å; E628-S631 PolarHBondContact O-OG 3.31Å; L629-S631 PolarHBondContact O-N 2.73Å
632	Y	90.6	Very high	82.4	Confident	184 Å²	184	100.3 Å²	100.3	72%	0.722	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.7	174.5	-57.3	-70	0	0	0	113.4	E628 L629 D630	E628-Y632 WeakPolarHBondContact O-CD2 3.32Å; E628-Y632 WeakPolarHBondContact O-CE2 3.39Å; L629-Y632 PolarHBondContact O-N 2.74Å; L629-Y632 VanDerWaalsContact O-N 3.15Å; D630-Y632 PolarHBondContact O-N 3.44Å
633	M	87.8	Confident	81.6	Confident	122 Å²	122	101.7 Å²	101.7	60%	0.601	54%	0.535	S	S	*	.	S	Bend	trans	-75.8	135.4	178	-67.3	-65.5	138.6	0	0	110.2	D630 E635	D630-M633 VanDerWaalsContact O-CB 3.32Å; D630-M633 WeakPolarHBondContact O-CB 3.45Å; D630-M633 PolarHBondContact O-N 3.43Å; M633-E635 PolarHBondContact O-N 3.41Å
634	P	84.4	Confident	81.1	Confident	121 Å²	121	101.7 Å²	101.7	79%	0.786	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-61.9	136.5	175.7	-22.1	32.8	0	0	0	111.9	K636	P634-K636 PolarHBondContact O-N 3.1Å
635	E	77.8	Confident	80.7	Confident	187 Å²	187	99.9 Å²	99.9	87%	0.874	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-64.4	131.7	170.4	-73.4	-173.2	173.4	0	0	110.5	M633 V637	M633-E635 PolarHBondContact O-N 3.41Å; E635-V637 PolarHBondContact O-N 3.27Å
636	K	74.1	Confident	80.5	Confident	207 Å²	207	98.3 Å²	98.3	90%	0.9	52%	0.517	S	S	*	.			trans	-78.7	108.9	176.1	-168.5	178.3	-178.8	-175.7	0	108.8	P634 S638	P634-K636 PolarHBondContact O-N 3.1Å; K636-S638 PolarHBondContact O-N 3.31Å
637	V	72.4	Confident	80.2	Confident	131 Å²	131	96.7 Å²	96.7	79%	0.794	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-64.8	126.7	174.1	-173.3	0	0	0	0	109.1	E635	E635-V637 PolarHBondContact O-N 3.27Å
638	S	62.5	Low	79.6	Confident	105 Å²	105	98.4 Å²	98.4	73%	0.734	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-65.7	137.7	172.9	51.9	0	0	0	0	110.4	K636 D640	K636-S638 PolarHBondContact O-N 3.31Å; S638-D640 PolarHBondContact O-N 2.75Å
639	E	62.2	Low	78.9	Confident	180 Å²	180	94.5 Å²	94.5	84%	0.841	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-64.7	132.3	174.6	-68.9	-179.8	172.7	0	0	110.4	T641	E639-T641 PolarHBondContact O-N 3.01Å
640	D	62.3	Low	78.4	Confident	130 Å²	130	91.1 Å²	91.1	70%	0.695	48%	0.479	S	S	*	.			trans	-75.3	109.4	174.4	-177.8	0.1	0	0	0	109.6	S638 S642	S638-D640 PolarHBondContact O-N 2.75Å; D640-S642 WeakPolarHBondContact OD1-CB 3.26Å; D640-S642 PolarHBondContact OD1-N 3.01Å; D640-S642 PolarHBondContact OD1-OG 3.19Å; D640-S642 PolarHBondContact OD2-OG 3.23Å
641	T	65.2	Low	78.3	Confident	84 Å²	84	89.7 Å²	89.7	52%	0.515	47%	0.471	S	S	.	.			trans	-101.7	12.3	178.3	61.3	0	0	0	0	113.2	E639 S643 I644	E639-T641 PolarHBondContact O-N 3.01Å; T641-S643 PolarHBondContact O-N 3.39Å; T641-S643 VanDerWaalsContact O-N 3.13Å; T641-I644 PolarHBondContact O-N 2.95Å
642	S	67.5	Low	78.2	Confident	48 Å²	48	88.6 Å²	88.6	34%	0.336	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17	-173.4	62.4	0	0	0	0	115	D640 I644 R686	D640-S642 WeakPolarHBondContact OD1-CB 3.26Å; D640-S642 PolarHBondContact OD1-N 3.01Å; D640-S642 PolarHBondContact OD1-OG 3.19Å; D640-S642 PolarHBondContact OD2-OG 3.23Å; S642-I644 VanDerWaalsContact C-N 3.3Å; S642-R686 PolarHBondContact OG-NH1 3.24Å
643	S	77.9	Confident	78.1	Confident	44 Å²	44	79.8 Å²	79.8	31%	0.308	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.5	174	51.6	0	0	0	0	113.6	T641 L710	T641-S643 PolarHBondContact O-N 3.39Å; T641-S643 VanDerWaalsContact O-N 3.13Å; S643-L710 WeakPolarHBondContact CB-O 3.28Å; S643-L710 PolarHBondContact O-N 2.94Å
644	I	84.8	Confident	77.9	Confident	54 Å²	54	76.8 Å²	76.8	28%	0.277	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	117.6	-171.2	-57.4	-178.8	0	0	0	110.9	T641 S642 R646 L706	T641-I644 PolarHBondContact O-N 2.95Å; S642-I644 VanDerWaalsContact C-N 3.3Å; I644-R646 HydrophobicContact CG2-CG 3.91Å; I644-L706 HydrophobicContact CG2-CD1 3.2Å
645	L	84.6	Confident	78	Confident	33 Å²	33	72.7 Å²	72.7	17%	0.173	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.5	167.5	-171.8	74.4	0	0	0	109.6	I670 L682 L707 V708	L645-I670 HydrophobicContact CD2-CB 4.06Å; L645-I670 HydrophobicContact CD2-CD1 3.83Å; L645-I670 HydrophobicContact CD2-CG2 3.68Å; L645-L682 HydrophobicContact CD2-CB 4.31Å; L645-L682 HydrophobicContact CD2-CD1 4.42Å; L645-L707 PolarHBondContact O-N 2.88Å; L645-V708 HydrophobicContact CB-CB 4.14Å; L645-V708 HydrophobicContact CD2-CB 4.36Å; L645-V708 HydrophobicContact CD2-CG2 4.49Å; L645-V708 PolarHBondContact N-O 2.8Å; L645-V708 PolarHBondContact O-N 2.78Å; L645-V708 VanDerWaalsContact O-N 3.15Å
646	R	88.6	Confident	78.5	Confident	125 Å²	125	66 Å²	66	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154.3	172.3	-65.5	178.8	178.2	-85.1	-1.7	110.6	I644 P648 G704 D705	I644-R646 HydrophobicContact CG2-CG 3.91Å; R646-P648 WeakPolarHBondContact O-CD 3.27Å; R646-G704 VanDerWaalsContact CD-O 3.29Å; R646-G704 WeakPolarHBondContact CD-O 3.44Å; R646-G704 WeakPolarHBondContact CG-O 3.44Å; R646-G704 PolarHBondContact NH1-O 3.45Å; R646-D705 CarbonylContact C-O 3.46Å; R646-D705 WeakPolarHBondContact CA-O 3.32Å
647	S	86.3	Confident	79.1	Confident	1 Å²	1	59 Å²	59	1%	0.007	34%	0.341	C	S	.	.			trans	-64	120.4	173.4	-163.7	0	0	0	0	109.7	M649 I673 G702 G704 D705	S647-M649 PolarHBondContact O-N 3.26Å; S647-M649 PolarHBondContact OG-O 2.73Å; S647-I673 WeakPolarHBondContact OG-CD1 3.47Å; S647-G702 VanDerWaalsContact CB-O 3.23Å; S647-G702 WeakPolarHBondContact CB-O 3.17Å; S647-G704 PolarHBondContact O-N 2.8Å; S647-D705 PolarHBondContact N-O 2.82Å
648	P	79.9	Confident	79.9	Confident	41 Å²	41	53.1 Å²	53.1	27%	0.266	31%	0.305	S	S	.	.	S	Bend	trans	-78.1	-9.5	-178.9	33.3	-35.7	0	0	0	112.4	L394 R646 L682	L394-P648 HydrophobicContact CD1-CB 4.12Å; R646-P648 WeakPolarHBondContact O-CD 3.27Å; P648-L682 HydrophobicContact CG-CD1 4.38Å; P648-L682 HydrophobicContact CG-CD2 3.53Å
649	M	79	Confident	81.2	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.015	30%	0.301	C	S	.	.	S	Bend	trans	-154.8	152.3	-177.1	59.2	-171.4	-86	0	0	110.2	L394 P395 S647 A675 N680	L394-M649 HydrophobicContact CD2-SD 3.74Å; P395-M649 HydrophobicContact CG-CE 4.05Å; S647-M649 PolarHBondContact O-N 3.26Å; S647-M649 PolarHBondContact OG-O 2.73Å; M649-A675 HydrophobicContact CE-CB 3.24Å; M649-N680 WeakPolarHBondContact CE-ND2 3.28Å; M649-N680 HydrophobicContact SD-CB 4.11Å; M649-N680 PolarHBondContact SD-ND2 3.39Å; M649-N680 VanDerWaalsContact SD-ND2 3.4Å
650	P	82.8	Confident	82.7	Confident	14 Å²	14	50.6 Å²	50.6	9%	0.091	29%	0.287	C	S	.	.			trans	-72.2	141.1	170.9	-20.5	38	0	0	0	110.9	I397 I426 A675 V701 E703	I397-P650 HydrophobicContact CD1-CB 3.33Å; I397-P650 HydrophobicContact CD1-CG 3.51Å; I397-P650 HydrophobicContact CG1-CB 3.69Å; I397-P650 HydrophobicContact CG1-CG 3.41Å; I397-P650 VanDerWaalsContact CG1-CG 3.41Å; I426-P650 HydrophobicContact CG2-CB 4.48Å; P650-A675 WeakPolarHBondContact O-CB 3.18Å; P650-V701 CarbonylContact C-O 3.59Å; P650-V701 VanDerWaalsContact CA-O 3.23Å; P650-V701 WeakPolarHBondContact CA-O 3.34Å; P650-E703 HydrophobicContact CG-CB 3.85Å
651	G	86.7	Confident	83.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-172.6	-179	0	0	0	0	0	113.7	E674 T700 V701	G651-E674 CarbonylContact C-O 3.54Å; G651-E674 WeakPolarHBondContact CA-O 3.23Å; G651-T700 CarbonylContact O-C 3.59Å; G651-T700 WeakPolarHBondContact O-CA 3.15Å; G651-V701 PolarHBondContact N-O 2.97Å; G651-V701 PolarHBondContact O-N 2.8Å
652	T	85.4	Confident	85	Confident	45 Å²	45	45.5 Å²	45.5	28%	0.276	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.3	174	-57	0	0	0	0	109.8	V654 E674 E699	T652-V654 PolarHBondContact O-N 2.8Å; T652-E674 PolarHBondContact N-O 3.39Å; T652-E674 PolarHBondContact O-N 2.63Å; T652-E699 CarbonylContact C-O 3.56Å; T652-E699 WeakPolarHBondContact CA-O 3.44Å
653	V	87.3	Confident	86	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	114.3	175.2	180	0	0	0	0	108.4	V656 V672 I673 C695 N696 A697 G698 E699 V701	V653-V656 HydrophobicContact CG1-CG2 3.64Å; V653-V672 CarbonylContact C-O 3.58Å; V653-I673 HydrophobicContact CG2-CG1 4.47Å; V653-C695 HydrophobicContact CG2-CB 4.15Å; V653-N696 WeakPolarHBondContact CB-O 3.48Å; V653-A697 CarbonylContact O-C 3.59Å; V653-A697 WeakPolarHBondContact O-CA 3.36Å; V653-G698 PolarHBondContact O-N 2.79Å; V653-E699 PolarHBondContact N-O 3.31Å; V653-V701 HydrophobicContact CG2-CG1 3.94Å; V653-V701 HydrophobicContact CG2-CG2 4.07Å
654	V	84.6	Confident	86.4	Confident	59 Å²	59	45.4 Å²	45.4	36%	0.358	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-41.7	-179.8	-179	0	0	0	0	110.8	T652 V672 E674	T652-V654 PolarHBondContact O-N 2.8Å; V654-V672 HydrophobicContact CB-CG1 4.47Å; V654-V672 PolarHBondContact N-O 3.21Å; V654-E674 HydrophobicContact CG2-CB 3.3Å; V654-E674 HydrophobicContact CG2-CG 4.42Å
655	A	85.8	Confident	86.3	Confident	35 Å²	35	45 Å²	45	29%	0.289	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.1	-177	0	0	0	0	0	110.7	C671 V672	A655-C671 CarbonylContact O-C 3.54Å; A655-C671 VanDerWaalsContact O-CA 3.28Å; A655-C671 WeakPolarHBondContact O-CA 3.47Å; A655-C671 VanDerWaalsContact O-CB 3.26Å; A655-C671 WeakPolarHBondContact O-CB 3.14Å; A655-V672 HydrophobicContact CB-CB 4.24Å; A655-V672 HydrophobicContact CB-CG2 4.31Å; A655-V672 PolarHBondContact N-O 3.23Å; A655-V672 PolarHBondContact O-N 2.76Å
656	V	89	Confident	86	Confident	47 Å²	47	50.5 Å²	50.5	29%	0.285	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.3	169.4	-179.4	0	0	0	0	106.3	V653 C671 V693	V653-V656 HydrophobicContact CG1-CG2 3.64Å; V656-C671 HydrophobicContact CG2-CB 4.38Å; V656-V693 HydrophobicContact CG1-CG1 3.94Å
657	S	87.4	Confident	85.2	Confident	59 Å²	59	46.8 Å²	46.8	41%	0.413	29%	0.291	S	S	.	.			trans	-95.7	-3	-168.5	-57.3	0	0	0	0	112.8	E669 I670	S657-E669 PolarHBondContact OG-OE1 2.83Å; S657-I670 PolarHBondContact N-O 3.37Å
658	V	87.9	Confident	84.8	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.042	31%	0.309	C	S	.	.			trans	-131.6	159.3	-177.5	-58.8	0	0	0	0	112.7	V664 I670 V690 V693	V658-V664 HydrophobicContact CB-CG1 4.47Å; V658-V664 HydrophobicContact CG1-CG1 3.59Å; V658-I670 HydrophobicContact CG2-CB 4.45Å; V658-I670 HydrophobicContact CG2-CG2 3.71Å; V658-V690 HydrophobicContact CB-CG2 4.19Å; V658-V690 HydrophobicContact CG2-CG1 4.5Å; V658-V690 HydrophobicContact CG2-CG2 4.13Å; V658-V693 HydrophobicContact CG2-CG2 4.35Å
659	K	91.1	Very high	85.1	Confident	150 Å²	150	52 Å²	52	65%	0.652	31%	0.312	S	S	*	.			trans	-124.8	155.6	175.2	-64	175.4	-176.1	173.3	0	111.2	G661 D662	K659-G661 PolarHBondContact O-N 3.25Å; K659-D662 PolarHBondContact N-OD2 2.89Å; K659-D662 WeakPolarHBondContact O-CB 3.31Å; K659-D662 PolarHBondContact O-N 3.32Å
660	P	91.8	Very high	85.5	Confident	83 Å²	83	51.9 Å²	51.9	54%	0.539	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	127.5	169.6	-25.6	34.8	0	0	0	111.4	V693	P660-V693 HydrophobicContact CG-CB 4.45Å; P660-V693 HydrophobicContact CG-CG2 4.19Å
661	G	87.8	Confident	85.7	Confident	39 Å²	39	51.2 Å²	51.2	40%	0.402	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-15.2	-176.8	0	0	0	0	0	115.4	K659 K689 V690	K659-G661 PolarHBondContact O-N 3.25Å; G661-K689 VanDerWaalsContact O-CE 3.25Å; G661-K689 WeakPolarHBondContact O-CE 3.37Å; G661-V690 PolarHBondContact N-O 2.94Å
662	D	88.9	Confident	85.6	Confident	68 Å²	68	52 Å²	52	36%	0.364	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-67.8	144.5	178.2	-69.3	-14.7	0	0	0	111	K659 K689 V690	K659-D662 PolarHBondContact N-OD2 2.89Å; K659-D662 WeakPolarHBondContact O-CB 3.31Å; K659-D662 PolarHBondContact O-N 3.32Å; D662-K689 CarbonylContact O-C 3.6Å; D662-K689 WeakPolarHBondContact O-CA 3.46Å; D662-V690 HydrophobicContact CB-CG2 4.48Å; D662-V690 PolarHBondContact O-N 3.47Å
663	T	88.2	Confident	85.5	Confident	89 Å²	89	49.8 Å²	49.8	55%	0.546	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.5	169	-56.1	0	0	0	0	108.2	Q687	T663-Q687 HydrophobicContact CG2-CG 4.43Å
664	V	86.2	Confident	85.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.4	177	-66.6	0	0	0	0	109.6	V658 Q668 A684 Q687 A688 V690 L710	V658-V664 HydrophobicContact CB-CG1 4.47Å; V658-V664 HydrophobicContact CG1-CG1 3.59Å; V664-Q668 HydrophobicContact CB-CB 4.47Å; V664-A684 HydrophobicContact CB-CB 4.1Å; V664-A684 HydrophobicContact CG2-CB 3.72Å; V664-Q687 VanDerWaalsContact O-CA 3.23Å; V664-Q687 WeakPolarHBondContact O-CA 3.32Å; V664-Q687 WeakPolarHBondContact O-CG 3.38Å; V664-A688 VanDerWaalsContact CG2-O 3.3Å; V664-A688 WeakPolarHBondContact CG2-O 3.46Å; V664-A688 PolarHBondContact N-O 3.15Å; V664-A688 PolarHBondContact O-N 3.27Å; V664-A688 VanDerWaalsContact O-N 3.12Å; V664-V690 HydrophobicContact CG1-CG2 3.88Å; V664-V690 HydrophobicContact CG2-CG2 4.46Å; V664-L710 HydrophobicContact CG2-CD2 4.22Å
665	A	82.1	Confident	84.7	Confident	47 Å²	47	50.6 Å²	50.6	39%	0.388	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-80.9	157.8	169.6	0	0	0	0	0	110.8	G667 Q668 A684	A665-G667 PolarHBondContact O-N 3.37Å; A665-Q668 HydrophobicContact CB-CB 4.36Å; A665-Q668 WeakPolarHBondContact O-CB 3.35Å; A665-Q668 PolarHBondContact O-N 3.48Å; A665-A684 WeakPolarHBondContact O-CB 3.25Å
666	E	78.9	Confident	84	Confident	148 Å²	148	49.5 Å²	49.5	69%	0.692	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.6	170.1	-174.4	178	165.8	0	0	110.4	Q668	E666-Q668 PolarHBondContact O-N 3.15Å
667	G	72.9	Confident	82.8	Confident	47 Å²	47	52.5 Å²	52.5	49%	0.485	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-4.2	-175.8	0	0	0	0	0	115.3	A665 T683 A684	A665-G667 PolarHBondContact O-N 3.37Å; G667-T683 VanDerWaalsContact O-CG2 3.31Å; G667-T683 WeakPolarHBondContact O-CG2 3.37Å; G667-A684 PolarHBondContact N-O 2.94Å
668	Q	78.2	Confident	81.5	Confident	79 Å²	79	52.2 Å²	52.2	37%	0.369	29%	0.29	S	S	.	.			trans	-69.1	135.2	175.3	-174.7	176.9	-23.4	0	0	110.9	V664 A665 E666 T683 A684	V664-Q668 HydrophobicContact CB-CB 4.47Å; A665-Q668 HydrophobicContact CB-CB 4.36Å; A665-Q668 WeakPolarHBondContact O-CB 3.35Å; A665-Q668 PolarHBondContact O-N 3.48Å; E666-Q668 PolarHBondContact O-N 3.15Å; Q668-T683 CarbonylContact O-C 3.53Å; Q668-T683 VanDerWaalsContact O-CA 3.25Å; Q668-T683 WeakPolarHBondContact O-CA 3.47Å; Q668-A684 PolarHBondContact O-N 3.15Å
669	E	86.2	Confident	80.9	Confident	73 Å²	73	57.4 Å²	57.4	34%	0.341	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	133	176.4	179.3	178.2	99.5	0	0	112	S657 V672 S681	S657-E669 PolarHBondContact OG-OE1 2.83Å; E669-V672 HydrophobicContact CG-CG2 4.44Å; E669-S681 VanDerWaalsContact CD-OG 3.31Å; E669-S681 VanDerWaalsContact CG-OG 3.24Å; E669-S681 WeakPolarHBondContact CG-OG 3.45Å; E669-S681 WeakPolarHBondContact OE2-CB 3.43Å; E669-S681 PolarHBondContact OE2-OG 3.3Å
670	I	87.4	Confident	80	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-52.5	178	-66.4	178.6	0	0	0	110.1	L645 S657 V658 L682 A684 V708	L645-I670 HydrophobicContact CD2-CB 4.06Å; L645-I670 HydrophobicContact CD2-CD1 3.83Å; L645-I670 HydrophobicContact CD2-CG2 3.68Å; S657-I670 PolarHBondContact N-O 3.37Å; V658-I670 HydrophobicContact CG2-CB 4.45Å; V658-I670 HydrophobicContact CG2-CG2 3.71Å; I670-L682 PolarHBondContact N-O 3Å; I670-A684 HydrophobicContact CD1-CB 3.76Å; I670-A684 HydrophobicContact CG1-CB 4.24Å; I670-V708 HydrophobicContact CG2-CB 4.21Å; I670-V708 HydrophobicContact CG2-CG1 4.43Å; I670-V708 HydrophobicContact CG2-CG2 3.57Å
671	C	87.1	Confident	79.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	163.7	177.5	63.4	0	0	0	0	111.3	A655 V656 L682	A655-C671 CarbonylContact O-C 3.54Å; A655-C671 VanDerWaalsContact O-CA 3.28Å; A655-C671 WeakPolarHBondContact O-CA 3.47Å; A655-C671 VanDerWaalsContact O-CB 3.26Å; A655-C671 WeakPolarHBondContact O-CB 3.14Å; V656-C671 HydrophobicContact CG2-CB 4.38Å; C671-L682 PolarHBondContact O-N 2.8Å
672	V	83.5	Confident	79.3	Confident	16 Å²	16	49 Å²	49	10%	0.097	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.8	179.1	-177.2	0	0	0	0	109	V653 V654 A655 E669 Q679 N680	V653-V672 CarbonylContact C-O 3.58Å; V654-V672 HydrophobicContact CB-CG1 4.47Å; V654-V672 PolarHBondContact N-O 3.21Å; A655-V672 HydrophobicContact CB-CB 4.24Å; A655-V672 HydrophobicContact CB-CG2 4.31Å; A655-V672 PolarHBondContact N-O 3.23Å; A655-V672 PolarHBondContact O-N 2.76Å; E669-V672 HydrophobicContact CG-CG2 4.44Å; V672-Q679 HydrophobicContact CG1-CB 3.95Å; V672-Q679 HydrophobicContact CG1-CG 4.4Å; V672-N680 WeakPolarHBondContact CA-O 3.44Å
673	I	84	Confident	79	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	176.2	-58.1	-176.4	0	0	0	109	S647 V653 N680 L682 V701 L707	S647-I673 WeakPolarHBondContact OG-CD1 3.47Å; V653-I673 HydrophobicContact CG2-CG1 4.47Å; I673-N680 PolarHBondContact N-O 2.86Å; I673-N680 PolarHBondContact O-N 3.06Å; I673-L682 HydrophobicContact CD1-CD1 3.73Å; I673-L682 HydrophobicContact CD1-CG 4.5Å; I673-L682 HydrophobicContact CG1-CD1 4.27Å; I673-V701 HydrophobicContact CD1-CG2 4.1Å; I673-L707 HydrophobicContact CD1-CD1 3.79Å
674	E	78.3	Confident	78.6	Confident	72 Å²	72	44.8 Å²	44.8	34%	0.336	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.4	169.6	-176.2	173.5	-95	0	0	110.1	G651 T652 V654 M678 Q679	G651-E674 CarbonylContact C-O 3.54Å; G651-E674 WeakPolarHBondContact CA-O 3.23Å; T652-E674 PolarHBondContact N-O 3.39Å; T652-E674 PolarHBondContact O-N 2.63Å; V654-E674 HydrophobicContact CG2-CB 3.3Å; V654-E674 HydrophobicContact CG2-CG 4.42Å; E674-M678 VanDerWaalsContact CA-O 3.3Å; E674-M678 WeakPolarHBondContact CA-O 3.13Å; E674-Q679 HydrophobicContact CB-CG 4.07Å; E674-Q679 HydrophobicContact CG-CG 4.16Å; E674-Q679 PolarHBondContact OE1-NE2 2.91Å; E674-Q679 VanDerWaalsContact OE1-NE2 3.13Å
675	A	76.3	Confident	78.1	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.033	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.9	163.4	0	0	0	0	0	108.6	M649 P650 K677 M678	M649-A675 HydrophobicContact CE-CB 3.24Å; P650-A675 WeakPolarHBondContact O-CB 3.18Å; A675-K677 PolarHBondContact O-N 3.21Å; A675-K677 VanDerWaalsContact O-N 3.07Å; A675-M678 PolarHBondContact N-O 3.07Å; A675-M678 PolarHBondContact O-N 3.43Å; A675-M678 VanDerWaalsContact O-O 3.13Å
676	M	70.4	Confident	77.9	Confident	12 Å²	12	51.5 Å²	51.5	6%	0.059	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	36.5	172.3	-49.1	-175	88.7	0	0	112.5	P395 I397 I424 S425 I426 Y428 P430 M678	P395-M676 HydrophobicContact CB-CB 4.47Å; P395-M676 HydrophobicContact CB-CG 4.13Å; P395-M676 HydrophobicContact CB-SD 3.35Å; P395-M676 WeakPolarHBondContact CB-SD 3.39Å; P395-M676 HydrophobicContact CG-CB 4.5Å; P395-M676 HydrophobicContact CG-SD 4.33Å; I397-M676 HydrophobicContact CG2-SD 4.17Å; I424-M676 HydrophobicContact CG2-CE 3.91Å; S425-M676 WeakPolarHBondContact O-CE 3.29Å; I426-M676 PolarHBondContact O-N 3.35Å; Y428-M676 VanDerWaalsContact O-CB 3.28Å; Y428-M676 WeakPolarHBondContact O-CB 3.3Å; Y428-M676 WeakPolarHBondContact O-CE 3.46Å; Y428-M676 WeakPolarHBondContact O-CG 3.42Å; P430-M676 HydrophobicContact CB-CE 3.42Å; P430-M676 VanDerWaalsContact CB-CE 3.42Å; P430-M676 HydrophobicContact CB-SD 3.7Å; P430-M676 HydrophobicContact CG-CE 4.08Å; P430-M676 HydrophobicContact CG-SD 4.12Å; P430-M676 VanDerWaalsContact N-CE 3.34Å; M676-M678 PolarHBondContact O-N 3.12Å
677	K	64.9	Low	78.2	Confident	110 Å²	110	51.2 Å²	51.2	48%	0.478	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	13.6	-177.4	-53.1	178.9	179.3	176	0	115.8	A675	A675-K677 PolarHBondContact O-N 3.21Å; A675-K677 VanDerWaalsContact O-N 3.07Å
678	M	59.9	Low	78.9	Confident	53 Å²	53	49.4 Å²	49.4	26%	0.261	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.1	173.8	-64.9	-171.7	68.2	0	0	110.5	E674 A675 M676	E674-M678 VanDerWaalsContact CA-O 3.3Å; E674-M678 WeakPolarHBondContact CA-O 3.13Å; A675-M678 PolarHBondContact N-O 3.07Å; A675-M678 PolarHBondContact O-N 3.43Å; A675-M678 VanDerWaalsContact O-O 3.13Å; M676-M678 PolarHBondContact O-N 3.12Å
679	Q	75.3	Confident	79.5	Confident	115 Å²	115	50 Å²	50	54%	0.537	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.2	173.9	-68.4	179	-0.2	0	0	109.7	V672 E674	V672-Q679 HydrophobicContact CG1-CB 3.95Å; V672-Q679 HydrophobicContact CG1-CG 4.4Å; E674-Q679 HydrophobicContact CB-CG 4.07Å; E674-Q679 HydrophobicContact CG-CG 4.16Å; E674-Q679 PolarHBondContact OE1-NE2 2.91Å; E674-Q679 VanDerWaalsContact OE1-NE2 3.13Å
680	N	71.9	Confident	79.7	Confident	16 Å²	16	46.6 Å²	46.6	9%	0.086	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.8	176.9	-67	-79	0	0	0	108.8	M649 V672 I673	M649-N680 WeakPolarHBondContact CE-ND2 3.28Å; M649-N680 HydrophobicContact SD-CB 4.11Å; M649-N680 PolarHBondContact SD-ND2 3.39Å; M649-N680 VanDerWaalsContact SD-ND2 3.4Å; V672-N680 WeakPolarHBondContact CA-O 3.44Å; I673-N680 PolarHBondContact N-O 2.86Å; I673-N680 PolarHBondContact O-N 3.06Å
681	S	79.9	Confident	79.9	Confident	59 Å²	59	52.2 Å²	52.2	41%	0.413	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.8	173.6	178.6	0	0	0	0	109.4	E669	E669-S681 VanDerWaalsContact CD-OG 3.31Å; E669-S681 VanDerWaalsContact CG-OG 3.24Å; E669-S681 WeakPolarHBondContact CG-OG 3.45Å; E669-S681 WeakPolarHBondContact OE2-CB 3.43Å; E669-S681 PolarHBondContact OE2-OG 3.3Å
682	L	84.1	Confident	80.1	Confident	20 Å²	20	53.5 Å²	53.5	11%	0.105	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.5	173.5	-57.4	-171.7	0	0	0	109.1	L645 P648 I670 C671 I673 L707	L645-L682 HydrophobicContact CD2-CB 4.31Å; L645-L682 HydrophobicContact CD2-CD1 4.42Å; P648-L682 HydrophobicContact CG-CD1 4.38Å; P648-L682 HydrophobicContact CG-CD2 3.53Å; I670-L682 PolarHBondContact N-O 3Å; C671-L682 PolarHBondContact O-N 2.8Å; I673-L682 HydrophobicContact CD1-CD1 3.73Å; I673-L682 HydrophobicContact CD1-CG 4.5Å; I673-L682 HydrophobicContact CG1-CD1 4.27Å; L682-L707 HydrophobicContact CD1-CD1 3.5Å; L682-L707 VanDerWaalsContact CD1-CD1 3.5Å
683	T	83.4	Confident	80.5	Confident	68 Å²	68	54.5 Å²	54.5	42%	0.417	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.8	-175.1	56.7	0	0	0	0	112	G667 Q668 A685	G667-T683 VanDerWaalsContact O-CG2 3.31Å; G667-T683 WeakPolarHBondContact O-CG2 3.37Å; Q668-T683 CarbonylContact O-C 3.53Å; Q668-T683 VanDerWaalsContact O-CA 3.25Å; Q668-T683 WeakPolarHBondContact O-CA 3.47Å; T683-A685 PolarHBondContact O-N 2.78Å
684	A	80.3	Confident	80.8	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.017	30%	0.302	C	S	.	.			trans	-70.3	126.4	176.4	0	0	0	0	0	110.9	V664 A665 G667 Q668 I670 R686	V664-A684 HydrophobicContact CB-CB 4.1Å; V664-A684 HydrophobicContact CG2-CB 3.72Å; A665-A684 WeakPolarHBondContact O-CB 3.25Å; G667-A684 PolarHBondContact N-O 2.94Å; Q668-A684 PolarHBondContact O-N 3.15Å; I670-A684 HydrophobicContact CD1-CB 3.76Å; I670-A684 HydrophobicContact CG1-CB 4.24Å; A684-R686 PolarHBondContact O-N 2.78Å
685	A	74.4	Confident	81.3	Confident	92 Å²	92	55.4 Å²	55.4	76%	0.76	29%	0.287	S	S	*	.	S	Bend	trans	-71.5	-18.6	178.6	0	0	0	0	0	113.8	T683	T683-A685 PolarHBondContact O-N 2.78Å
686	R	79.1	Confident	81.9	Confident	96 Å²	96	60.5 Å²	60.5	36%	0.362	31%	0.314	S	S	.	.	S	Bend	trans	-155.3	164.6	176.1	66.6	-179.3	-171	-160.5	0.7	109.7	S642 A684 A688	S642-R686 PolarHBondContact OG-NH1 3.24Å; A684-R686 PolarHBondContact O-N 2.78Å; R686-A688 PolarHBondContact O-N 3.12Å
687	Q	85.2	Confident	82.7	Confident	142 Å²	142	63.2 Å²	63.2	66%	0.664	34%	0.338	S	S	*	.	S	Bend	trans	-64.4	122.6	169.3	-177	177.2	-18.5	0	0	110.1	T663 V664	T663-Q687 HydrophobicContact CG2-CG 4.43Å; V664-Q687 VanDerWaalsContact O-CA 3.23Å; V664-Q687 WeakPolarHBondContact O-CA 3.32Å; V664-Q687 WeakPolarHBondContact O-CG 3.38Å
688	A	87.1	Confident	83.6	Confident	9 Å²	9	60.8 Å²	60.8	7%	0.074	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	167.5	-179.2	0	0	0	0	0	111.1	V664 R686 L710	V664-A688 VanDerWaalsContact CG2-O 3.3Å; V664-A688 WeakPolarHBondContact CG2-O 3.46Å; V664-A688 PolarHBondContact N-O 3.15Å; V664-A688 PolarHBondContact O-N 3.27Å; V664-A688 VanDerWaalsContact O-N 3.12Å; R686-A688 PolarHBondContact O-N 3.12Å; A688-L710 HydrophobicContact CB-CB 3.87Å; A688-L710 HydrophobicContact CB-CD1 4.19Å; A688-L710 HydrophobicContact CB-CD2 4.39Å; A688-L710 HydrophobicContact CB-CG 4.37Å
689	K	90	Very high	85	Confident	92 Å²	92	62 Å²	62	40%	0.4	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.6	172.3	-167.8	177.2	175.9	-169.3	0	109.5	G661 D662 K691 L710 E711	G661-K689 VanDerWaalsContact O-CE 3.25Å; G661-K689 WeakPolarHBondContact O-CE 3.37Å; D662-K689 CarbonylContact O-C 3.6Å; D662-K689 WeakPolarHBondContact O-CA 3.46Å; K689-K691 PolarHBondContact O-N 3.49Å; K689-L710 WeakPolarHBondContact O-CA 3.3Å; K689-E711 HydrophobicContact CB-CB 4.32Å; K689-E711 HydrophobicContact CB-CG 4.44Å; K689-E711 PolarHBondContact O-N 3.27Å
690	V	90.9	Very high	85.5	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.7	178.7	-179.5	0	0	0	0	109.1	V658 G661 D662 V664 V693 V708 L710	V658-V690 HydrophobicContact CB-CG2 4.19Å; V658-V690 HydrophobicContact CG2-CG1 4.5Å; V658-V690 HydrophobicContact CG2-CG2 4.13Å; G661-V690 PolarHBondContact N-O 2.94Å; D662-V690 HydrophobicContact CB-CG2 4.48Å; D662-V690 PolarHBondContact O-N 3.47Å; V664-V690 HydrophobicContact CG1-CG2 3.88Å; V664-V690 HydrophobicContact CG2-CG2 4.46Å; V690-V693 HydrophobicContact CG1-CG2 3.78Å; V690-V708 HydrophobicContact CG1-CG1 3.72Å; V690-L710 HydrophobicContact CG2-CD2 4.01Å
691	K	91.7	Very high	86.2	Confident	117 Å²	117	60.2 Å²	60.2	51%	0.509	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-51.5	178.8	-176.3	-178.2	167.3	-149	0	111.2	K689 E709 E711	K689-K691 PolarHBondContact O-N 3.49Å; K691-E709 HydrophobicContact CB-CB 4.09Å; K691-E709 WeakPolarHBondContact CB-O 3.49Å; K691-E709 HydrophobicContact CD-CB 4.3Å; K691-E709 WeakPolarHBondContact CE-OE2 3.25Å; K691-E709 PolarHBondContact N-O 3.24Å; K691-E709 IonicContact NZ-OE2 2.75Å; K691-E709 PolarHBondContact NZ-OE2 2.84Å; K691-E711 HydrophobicContact CB-CG 3.94Å; K691-E711 HydrophobicContact CG-CG 4.41Å
692	S	90.7	Very high	86.4	Confident	27 Å²	27	58.7 Å²	58.7	19%	0.189	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.4	179.8	50.2	0	0	0	0	111.7	H694 V708 E709	S692-H694 PolarHBondContact OG-NE2 3.46Å; S692-V708 WeakPolarHBondContact O-CA 3.44Å; S692-E709 PolarHBondContact N-O 2.75Å; S692-E709 PolarHBondContact O-N 3.05Å
693	V	91.8	Very high	86.2	Confident	37 Å²	37	63 Å²	63	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.8	174.7	179.3	0	0	0	0	107.6	V656 V658 P660 V690 V708	V656-V693 HydrophobicContact CG1-CG1 3.94Å; V658-V693 HydrophobicContact CG2-CG2 4.35Å; P660-V693 HydrophobicContact CG-CB 4.45Å; P660-V693 HydrophobicContact CG-CG2 4.19Å; V690-V693 HydrophobicContact CG1-CG2 3.78Å; V693-V708 HydrophobicContact CG1-CG2 4.3Å; V693-V708 HydrophobicContact CG2-CG1 4.48Å; V693-V708 HydrophobicContact CG2-CG2 4.23Å
694	H	90.9	Very high	86.2	Confident	88 Å²	88	61 Å²	61	41%	0.407	35%	0.353	S	S	.	.			trans	-113.1	4.5	-171	-65.7	-84	0	0	0	113.6	S692 L706 L707	S692-H694 PolarHBondContact OG-NE2 3.46Å; H694-L706 HydrophobicContact CB-CG 4.4Å; H694-L706 WeakPolarHBondContact CB-O 3.34Å; H694-L707 PolarHBondContact N-O 2.8Å
695	C	89.5	Confident	86.5	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.027	37%	0.372	C	S	.	.			trans	-130.7	150.4	-179.3	62.7	0	0	0	0	112.1	V653 V701 L707	V653-C695 HydrophobicContact CG2-CB 4.15Å; C695-V701 HydrophobicContact CB-CG1 4.49Å; C695-L707 HydrophobicContact CB-CD2 3.96Å
696	N	89.1	Confident	87.2	Confident	111 Å²	111	62.7 Å²	62.7	59%	0.594	35%	0.349	S	S	*	.			trans	-118	155.3	176.1	-57.9	-78.1	0	0	0	112.3	V653 G698 E699	V653-N696 WeakPolarHBondContact CB-O 3.48Å; N696-G698 PolarHBondContact O-N 2.65Å; N696-E699 PolarHBondContact N-OE2 2.83Å; N696-E699 PolarHBondContact ND2-OE2 3.27Å; N696-E699 WeakPolarHBondContact O-CB 3.23Å; N696-E699 PolarHBondContact O-N 3.13Å; N696-E699 VanDerWaalsContact O-N 3.1Å
697	A	86.9	Confident	87.8	Confident	69 Å²	69	58.2 Å²	58.2	57%	0.57	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	132.9	171.2	0	0	0	0	0	111.1	V653	V653-A697 CarbonylContact O-C 3.59Å; V653-A697 WeakPolarHBondContact O-CA 3.36Å
698	G	83.8	Confident	88	Confident	59 Å²	59	51.4 Å²	51.4	61%	0.608	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-7.1	-173.3	0	0	0	0	0	114.9	V653 N696	V653-G698 PolarHBondContact O-N 2.79Å; N696-G698 PolarHBondContact O-N 2.65Å
699	E	88.6	Confident	88.2	Confident	78 Å²	78	53 Å²	53	36%	0.364	31%	0.306	S	S	.	.			trans	-79.6	144.1	179.8	-169.2	169.7	-174.6	0	0	111.8	T652 V653 N696	T652-E699 CarbonylContact C-O 3.56Å; T652-E699 WeakPolarHBondContact CA-O 3.44Å; V653-E699 PolarHBondContact N-O 3.31Å; N696-E699 PolarHBondContact N-OE2 2.83Å; N696-E699 PolarHBondContact ND2-OE2 3.27Å; N696-E699 WeakPolarHBondContact O-CB 3.23Å; N696-E699 PolarHBondContact O-N 3.13Å; N696-E699 VanDerWaalsContact O-N 3.1Å
700	T	85.8	Confident	88.1	Confident	83 Å²	83	49.2 Å²	49.2	51%	0.509	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.8	174.4	-56	0	0	0	0	109.6	I426 G651	I426-T700 HydrophobicContact CD1-CG2 4.09Å; G651-T700 CarbonylContact O-C 3.59Å; G651-T700 WeakPolarHBondContact O-CA 3.15Å
701	V	87.8	Confident	87.8	Confident	11 Å²	11	56 Å²	56	7%	0.067	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.1	-178.4	-64.1	0	0	0	0	110.5	P650 G651 V653 I673 C695 D705 L707	P650-V701 CarbonylContact C-O 3.59Å; P650-V701 VanDerWaalsContact CA-O 3.23Å; P650-V701 WeakPolarHBondContact CA-O 3.34Å; G651-V701 PolarHBondContact N-O 2.97Å; G651-V701 PolarHBondContact O-N 2.8Å; V653-V701 HydrophobicContact CG2-CG1 3.94Å; V653-V701 HydrophobicContact CG2-CG2 4.07Å; I673-V701 HydrophobicContact CD1-CG2 4.1Å; C695-V701 HydrophobicContact CB-CG1 4.49Å; V701-D705 HydrophobicContact CB-CB 4.41Å; V701-L707 HydrophobicContact CB-CD2 4.27Å; V701-L707 HydrophobicContact CG1-CD2 3.9Å; V701-L707 HydrophobicContact CG2-CD2 4.29Å
702	G	83.6	Confident	87.6	Confident	26 Å²	26	52.9 Å²	52.9	27%	0.268	31%	0.312	S	S	.	.			trans	-90.5	173	172.9	0	0	0	0	0	113.3	S647 D705	S647-G702 VanDerWaalsContact CB-O 3.23Å; S647-G702 WeakPolarHBondContact CB-O 3.17Å; G702-D705 WeakPolarHBondContact CA-OD2 3.42Å; G702-D705 PolarHBondContact N-OD2 2.87Å; G702-D705 PolarHBondContact O-N 2.9Å
703	E	80.5	Confident	87.4	Confident	110 Å²	110	54.3 Å²	54.3	51%	0.514	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	132.2	174	-171.3	176.1	179.7	0	0	109.3	K390 P650 D705	K390-E703 IonicContact NZ-OE1 3.75Å; K390-E703 PolarHBondContact NZ-OE1 3.06Å; P650-E703 HydrophobicContact CG-CB 3.85Å; E703-D705 VanDerWaalsContact C-N 3.26Å; E703-D705 PolarHBondContact O-N 3.43Å
704	G	82.8	Confident	87.2	Confident	28 Å²	28	55.2 Å²	55.2	29%	0.289	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-4.2	-178.9	0	0	0	0	0	114.7	R646 S647	R646-G704 VanDerWaalsContact CD-O 3.29Å; R646-G704 WeakPolarHBondContact CD-O 3.44Å; R646-G704 WeakPolarHBondContact CG-O 3.44Å; R646-G704 PolarHBondContact NH1-O 3.45Å; S647-G704 PolarHBondContact O-N 2.8Å
705	D	87	Confident	86.9	Confident	77 Å²	77	53.3 Å²	53.3	41%	0.412	32%	0.319	S	S	.	.			trans	-60.9	139.1	175.9	-79.2	-7.1	0	0	0	110.9	R646 S647 V701 G702 E703 L707	R646-D705 CarbonylContact C-O 3.46Å; R646-D705 WeakPolarHBondContact CA-O 3.32Å; S647-D705 PolarHBondContact N-O 2.82Å; V701-D705 HydrophobicContact CB-CB 4.41Å; G702-D705 WeakPolarHBondContact CA-OD2 3.42Å; G702-D705 PolarHBondContact N-OD2 2.87Å; G702-D705 PolarHBondContact O-N 2.9Å; E703-D705 VanDerWaalsContact C-N 3.26Å; E703-D705 PolarHBondContact O-N 3.43Å; D705-L707 PolarHBondContact O-N 2.91Å
706	L	89.2	Confident	86.8	Confident	52 Å²	52	56.4 Å²	56.4	27%	0.272	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	119.4	178.4	175.7	61.7	0	0	0	109.7	I644 H694 E709	I644-L706 HydrophobicContact CG2-CD1 3.2Å; H694-L706 HydrophobicContact CB-CG 4.4Å; H694-L706 WeakPolarHBondContact CB-O 3.34Å; L706-E709 HydrophobicContact CD1-CG 3.99Å; L706-E709 HydrophobicContact CD2-CG 4.2Å
707	L	91.1	Very high	86.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-52.1	177.5	-58	-179.8	0	0	0	111.2	L645 I673 L682 H694 C695 V701 D705	L645-L707 PolarHBondContact O-N 2.88Å; I673-L707 HydrophobicContact CD1-CD1 3.79Å; L682-L707 HydrophobicContact CD1-CD1 3.5Å; L682-L707 VanDerWaalsContact CD1-CD1 3.5Å; H694-L707 PolarHBondContact N-O 2.8Å; C695-L707 HydrophobicContact CB-CD2 3.96Å; V701-L707 HydrophobicContact CB-CD2 4.27Å; V701-L707 HydrophobicContact CG1-CD2 3.9Å; V701-L707 HydrophobicContact CG2-CD2 4.29Å; D705-L707 PolarHBondContact O-N 2.91Å
708	V	89.6	Confident	86.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136	-174.6	-179.2	0	0	0	0	109.9	L645 I670 V690 S692 V693 L710	L645-V708 HydrophobicContact CB-CB 4.14Å; L645-V708 HydrophobicContact CD2-CB 4.36Å; L645-V708 HydrophobicContact CD2-CG2 4.49Å; L645-V708 PolarHBondContact N-O 2.8Å; L645-V708 PolarHBondContact O-N 2.78Å; L645-V708 VanDerWaalsContact O-N 3.15Å; I670-V708 HydrophobicContact CG2-CB 4.21Å; I670-V708 HydrophobicContact CG2-CG1 4.43Å; I670-V708 HydrophobicContact CG2-CG2 3.57Å; V690-V708 HydrophobicContact CG1-CG1 3.72Å; S692-V708 WeakPolarHBondContact O-CA 3.44Å; V693-V708 HydrophobicContact CG1-CG2 4.3Å; V693-V708 HydrophobicContact CG2-CG1 4.48Å; V693-V708 HydrophobicContact CG2-CG2 4.23Å; V708-L710 HydrophobicContact CG1-CD2 4.03Å
709	E	90.3	Very high	86.8	Confident	42 Å²	42	51 Å²	51	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.3	166.4	-65.6	-172.6	177.8	0	0	110.1	K691 S692 L706	K691-E709 HydrophobicContact CB-CB 4.09Å; K691-E709 WeakPolarHBondContact CB-O 3.49Å; K691-E709 HydrophobicContact CD-CB 4.3Å; K691-E709 WeakPolarHBondContact CE-OE2 3.25Å; K691-E709 PolarHBondContact N-O 3.24Å; K691-E709 IonicContact NZ-OE2 2.75Å; K691-E709 PolarHBondContact NZ-OE2 2.84Å; S692-E709 PolarHBondContact N-O 2.75Å; S692-E709 PolarHBondContact O-N 3.05Å; L706-E709 HydrophobicContact CD1-CG 3.99Å; L706-E709 HydrophobicContact CD2-CG 4.2Å
710	L	88.2	Confident	86.7	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.2	178.1	-59.9	178.5	0	0	0	109.6	S643 V664 A688 K689 V690 V708	S643-L710 WeakPolarHBondContact CB-O 3.28Å; S643-L710 PolarHBondContact O-N 2.94Å; V664-L710 HydrophobicContact CG2-CD2 4.22Å; A688-L710 HydrophobicContact CB-CB 3.87Å; A688-L710 HydrophobicContact CB-CD1 4.19Å; A688-L710 HydrophobicContact CB-CD2 4.39Å; A688-L710 HydrophobicContact CB-CG 4.37Å; K689-L710 WeakPolarHBondContact O-CA 3.3Å; V690-L710 HydrophobicContact CG2-CD2 4.01Å; V708-L710 HydrophobicContact CG1-CD2 4.03Å
711	E	84.4	Confident	86.8	Confident	142 Å²	142	45.6 Å²	45.6	66%	0.664	25%	0.25	S	S	*	.			trans	-74.2	0	174	-62.5	-176.4	174.8	0	0	113	K689 K691	K689-E711 HydrophobicContact CB-CB 4.32Å; K689-E711 HydrophobicContact CB-CG 4.44Å; K689-E711 PolarHBondContact O-N 3.27Å; K691-E711 HydrophobicContact CB-CG 3.94Å; K691-E711 HydrophobicContact CG-CG 4.41Å

Retrieved 711 of 711 residues in 307.8 ms (Link to these results)

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