G4VGV1_SCHMA Loading...

Putative f-box/leucine rich repeat protein

AlphaFold DB , UniProt , Accession G4VGV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 503 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	31.9	Very low	25.8	Very low	242 Å²	242	147.9 Å²	147.9	100%	1.192	82%	0.815	S	S	*	*				0	94.3	0	-74	168.3	173	0	0	107.7	Q3	M1-Q3 PolarHBondContact O-N 3.42Å
2	K	28.3	Very low	26.2	Very low	209 Å²	209	148.9 Å²	148.9	91%	0.909	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.9	119.1	175.7	-80.7	-176.3	173.6	-178.5	0	107.3	V4	K2-V4 PolarHBondContact O-N 3.23Å
3	Q	23.6	Very low	26.6	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-53.6	129	177.7	-76.4	172	-30.4	0	0	110.1	M1	M1-Q3 PolarHBondContact O-N 3.42Å
4	V	24.1	Very low	27.3	Very low	132 Å²	132	138.8 Å²	138.8	80%	0.8	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-71.6	122	168.5	178.6	0	0	0	0	106.9	K2 S6	K2-V4 PolarHBondContact O-N 3.23Å; V4-S6 PolarHBondContact O-N 3.29Å
5	P	25.8	Very low	27.2	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-69.8	132.2	173.6	-7.9	23.5	0	0	0	109.2	T7	P5-T7 PolarHBondContact O-N 3.35Å
6	S	24.9	Very low	27.7	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-50.2	123.4	176	49.5	0	0	0	0	112	V4 Q8	V4-S6 PolarHBondContact O-N 3.29Å; S6-Q8 PolarHBondContact O-N 2.77Å; S6-Q8 VanDerWaalsContact O-N 3.09Å
7	T	23.7	Very low	27.8	Very low	140 Å²	140	135.5 Å²	135.5	86%	0.859	71%	0.712	S	S	*	*			trans	-63.6	100.3	171.5	44.4	0	0	0	0	110.1	P5	P5-T7 PolarHBondContact O-N 3.35Å
8	Q	23.8	Very low	27.6	Very low	184 Å²	184	134.7 Å²	134.7	86%	0.86	71%	0.714	S	S	*	*			trans	-81	137.1	162.5	-79	-170.9	-14	0	0	109.7	S6 S10	S6-Q8 PolarHBondContact O-N 2.77Å; S6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-S10 PolarHBondContact O-N 2.75Å
9	N	27	Very low	27.6	Very low	120 Å²	120	133.7 Å²	133.7	64%	0.642	71%	0.713	S	S	*	*			trans	-38.9	121.9	-170.6	-72.6	-33.6	0	0	0	116	S11	N9-S11 PolarHBondContact O-N 3.19Å
10	S	24.1	Very low	27.5	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	71%	0.706	S	S	*	*			trans	-70.9	89.4	171.6	57.4	0	0	0	0	111.3	Q8	Q8-S10 PolarHBondContact O-N 2.75Å
11	S	26.4	Very low	27.6	Very low	84 Å²	84	129.2 Å²	129.2	59%	0.587	71%	0.709	S	S	*	*			trans	-106.6	84.8	161.7	50.6	0	0	0	0	108.7	N9 E13	N9-S11 PolarHBondContact O-N 3.19Å; S11-E13 WeakPolarHBondContact O-CG 3.35Å; S11-E13 PolarHBondContact O-N 3.17Å; S11-E13 VanDerWaalsContact O-N 3.16Å
12	Y	31.1	Very low	27.5	Very low	160 Å²	160	122.4 Å²	122.4	63%	0.627	69%	0.685	S	S	*	*			trans	-2.1	92.9	176.7	-58.8	-82.7	0	0	0	116
13	E	31.2	Very low	27.5	Very low	103 Å²	103	118.7 Å²	118.7	48%	0.481	69%	0.685	S	S	.	*			trans	-98.8	125	-168.9	-58.3	-163.4	109.4	0	0	112.4	S11 L78 H79 R104	S11-E13 WeakPolarHBondContact O-CG 3.35Å; S11-E13 PolarHBondContact O-N 3.17Å; S11-E13 VanDerWaalsContact O-N 3.16Å; E13-L78 WeakPolarHBondContact O-CD2 3.32Å; E13-H79 PolarHBondContact O-CE1 3.4Å; E13-H79 PolarHBondContact O-NE2 2.9Å; E13-R104 IonicContact OE1-NH2 2.69Å; E13-R104 PolarHBondContact OE1-NH2 3.5Å
14	F	36.1	Very low	27.8	Very low	53 Å²	53	113 Å²	113	23%	0.232	67%	0.666	C	S	.	*			trans	-99.7	109.9	168.5	-116.4	-83.3	0	0	0	109.7	I16 L78	F14-I16 HydrophobicContact CD1-CG1 4.22Å; F14-L78 HydrophobicContact CD1-CD1 4.21Å; F14-L78 HydrophobicContact CD2-CD1 4.37Å; F14-L78 HydrophobicContact CD2-CD2 3.65Å; F14-L78 HydrophobicContact CE1-CD1 3.66Å; F14-L78 HydrophobicContact CE2-CD1 3.84Å; F14-L78 HydrophobicContact CE2-CD2 3.7Å; F14-L78 HydrophobicContact CE2-CG 4.43Å; F14-L78 HydrophobicContact CG-CD2 4.1Å; F14-L78 HydrophobicContact CZ-CD1 3.43Å; F14-L78 VanDerWaalsContact CZ-CD1 3.43Å; F14-L78 HydrophobicContact CZ-CD2 4.18Å; F14-L78 HydrophobicContact CZ-CG 4.47Å
15	E	25.8	Very low	28.1	Very low	169 Å²	169	112.8 Å²	112.8	79%	0.79	66%	0.655	S	S	*	*			trans	-93.2	116.8	153.7	-90.6	-172.1	159.7	0	0	108.3	N17	E15-N17 PolarHBondContact O-N 3.31Å
16	I	35.8	Very low	28.2	Very low	55 Å²	55	113.9 Å²	113.9	28%	0.282	66%	0.655	S	S	.	*			trans	-82.9	104.5	179	-60.4	174.2	0	0	0	107.7	F14 T18 I107 L111	F14-I16 HydrophobicContact CD1-CG1 4.22Å; I16-T18 PolarHBondContact O-N 3.11Å; I16-I107 HydrophobicContact CD1-CD1 4.09Å; I16-I107 HydrophobicContact CD1-CG2 4.03Å; I16-L111 HydrophobicContact CD1-CB 4.36Å; I16-L111 HydrophobicContact CG2-CD2 4.48Å
17	N	29.6	Very low	28.4	Very low	136 Å²	136	117.8 Å²	117.8	73%	0.727	66%	0.658	S	S	*	*			trans	-61.2	119.7	173.3	-82.3	-34	0	0	0	110.9	E15 V19	E15-N17 PolarHBondContact O-N 3.31Å; N17-V19 PolarHBondContact O-N 3.08Å
18	T	24.3	Very low	28.6	Very low	122 Å²	122	115 Å²	115	75%	0.748	64%	0.641	S	S	*	*			trans	-69.4	114.6	179.5	50.6	0	0	0	0	110.8	I16	I16-T18 PolarHBondContact O-N 3.11Å
19	V	26.2	Very low	28.7	Very low	116 Å²	116	111 Å²	111	70%	0.703	63%	0.625	S	S	*	*			trans	-118.3	135.5	161	-176.6	0	0	0	0	108.2	N17 R114	N17-V19 PolarHBondContact O-N 3.08Å; V19-R114 PolarHBondContact O-NH1 2.88Å
20	G	26.9	Very low	28.7	Very low	55 Å²	55	114.3 Å²	114.3	57%	0.567	64%	0.636	S	S	*	*			trans	-57.1	167	-162.3	0	0	0	0	0	116.9	S22	G20-S22 PolarHBondContact O-N 3.39Å
21	P	28.5	Very low	28.8	Very low	117 Å²	117	113 Å²	113	76%	0.76	63%	0.632	S	S	*	*			trans	-78.7	119.5	-166	33.1	-32.6	0	0	0	111.2
22	S	31.2	Very low	28.8	Very low	100 Å²	100	113.2 Å²	113.2	70%	0.699	63%	0.626	S	S	*	*			trans	-116.7	116.5	166.2	64.4	0	0	0	0	110.2	G20 S24	G20-S22 PolarHBondContact O-N 3.39Å; S22-S24 PolarHBondContact O-N 3.22Å
23	S	27.1	Very low	28.6	Very low	130 Å²	130	109 Å²	109	91%	0.909	62%	0.619	S	S	*	*			trans	-68.5	100.4	178.1	53.9	0	0	0	0	111.9
24	S	30	Very low	28.7	Very low	68 Å²	68	110.4 Å²	110.4	48%	0.476	64%	0.635	S	S	.	*			trans	-147.3	15.2	173	73.6	0	0	0	0	116.1	S22 N26 K27	S22-S24 PolarHBondContact O-N 3.22Å; S24-N26 PolarHBondContact O-N 3.32Å; S24-K27 PolarHBondContact O-N 3.44Å
25	F	30.8	Very low	28.3	Very low	128 Å²	128	111.8 Å²	111.8	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-52	-45.4	-169.8	-169.1	-106.5	0	0	0	114.5	K27 T28 I29 T113	F25-K27 PolarHBondContact O-N 3.06Å; F25-T28 PolarHBondContact O-N 2.91Å; F25-I29 HydrophobicContact CE1-CD1 4.16Å; F25-T113 HydrophobicContact CD2-CG2 4.43Å; F25-T113 HydrophobicContact CE2-CG2 3.74Å
26	N	27.3	Very low	28.7	Very low	137 Å²	137	106.5 Å²	106.5	73%	0.733	63%	0.626	S	S	*	*	H	α-helix	trans	-73.1	-18.3	-175	-76.1	-13	0	0	0	115.4	S24	S24-N26 PolarHBondContact O-N 3.32Å
27	K	28.7	Very low	28.3	Very low	186 Å²	186	108.4 Å²	108.4	81%	0.809	65%	0.645	S	S	*	*	H	α-helix	trans	-85.5	-21.5	-179.8	-76.5	-172.8	176.2	-178.6	0	113.5	S24 F25	S24-K27 PolarHBondContact O-N 3.44Å; F25-K27 PolarHBondContact O-N 3.06Å
28	T	28.8	Very low	28.2	Very low	82 Å²	82	109.6 Å²	109.6	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-80.6	-24.3	-175.5	-44.1	0	0	0	0	112.4	F25 Q30 A31	F25-T28 PolarHBondContact O-N 2.91Å; T28-Q30 VanDerWaalsContact C-N 3.26Å; T28-Q30 PolarHBondContact O-N 2.99Å; T28-A31 PolarHBondContact O-N 3.49Å
29	I	25	Very low	28.5	Very low	100 Å²	100	107.4 Å²	107.4	51%	0.513	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	-25.4	-175.3	-63.8	178.7	0	0	0	113	F25	F25-I29 HydrophobicContact CE1-CD1 4.16Å
30	Q	27.2	Very low	28.6	Very low	190 Å²	190	107.1 Å²	107.1	89%	0.888	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-3.7	-175	-78	-173.2	-15.4	0	0	115.6	T28	T28-Q30 VanDerWaalsContact C-N 3.26Å; T28-Q30 PolarHBondContact O-N 2.99Å
31	A	26.8	Very low	29.1	Very low	81 Å²	81	109.6 Å²	109.6	67%	0.669	62%	0.624	S	S	*	*			trans	-118.9	11.2	-164.9	0	0	0	0	0	116.8	T28 S33	T28-A31 PolarHBondContact O-N 3.49Å; A31-S33 PolarHBondContact O-N 3.23Å; A31-S33 VanDerWaalsContact O-N 3.15Å
32	I	27	Very low	29.6	Very low	90 Å²	90	109.5 Å²	109.5	46%	0.462	63%	0.626	S	S	.	*			trans	-90.5	84.2	179	-50.7	179.2	0	0	0	109.7	L143	I32-L143 HydrophobicContact CD1-CD2 3.78Å
33	S	27.4	Very low	30.1	Very low	71 Å²	71	108.7 Å²	108.7	50%	0.497	61%	0.614	S	S	.	*			trans	-70.6	137.8	159.9	167.3	0	0	0	0	108.7	A31 D35	A31-S33 PolarHBondContact O-N 3.23Å; A31-S33 VanDerWaalsContact O-N 3.15Å; S33-D35 PolarHBondContact O-N 3.47Å; S33-D35 PolarHBondContact OG-N 3.15Å
34	T	32.6	Very low	30.7	Very low	132 Å²	132	104.2 Å²	104.2	81%	0.81	58%	0.582	S	S	*	*	S	Bend	trans	-62.6	-3.2	175.8	41.8	0	0	0	0	114.2	C36	T34-C36 PolarHBondContact O-N 3.19Å
35	D	28.4	Very low	31.3	Very low	82 Å²	82	105.6 Å²	105.6	44%	0.439	59%	0.589	S	S	.	*			trans	-89.8	89	178.6	-164.7	-2.6	0	0	0	110.7	S33 S37 K38	S33-D35 PolarHBondContact O-N 3.47Å; S33-D35 PolarHBondContact OG-N 3.15Å; D35-S37 PolarHBondContact O-N 3.04Å; D35-S37 WeakPolarHBondContact OD1-CB 3.21Å; D35-S37 PolarHBondContact OD1-N 3.22Å; D35-S37 PolarHBondContact OD1-OG 3.34Å; D35-S37 PolarHBondContact OD2-OG 3.15Å; D35-K38 PolarHBondContact O-N 2.98Å
36	C	32.7	Very low	31.9	Very low	59 Å²	59	103 Å²	103	40%	0.399	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-61.4	-8.7	179.2	-78.1	0	0	0	0	114	T34 K38 I39	T34-C36 PolarHBondContact O-N 3.19Å; C36-K38 PolarHBondContact O-N 3.13Å; C36-K38 VanDerWaalsContact O-N 3.1Å; C36-I39 PolarHBondContact O-N 3.31Å
37	S	28.2	Very low	32.7	Very low	95 Å²	95	101.8 Å²	101.8	66%	0.664	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-62.4	-14.7	176.8	65.4	0	0	0	0	113.9	D35	D35-S37 PolarHBondContact O-N 3.04Å; D35-S37 WeakPolarHBondContact OD1-CB 3.21Å; D35-S37 PolarHBondContact OD1-N 3.22Å; D35-S37 PolarHBondContact OD1-OG 3.34Å; D35-S37 PolarHBondContact OD2-OG 3.15Å
38	K	27	Very low	33.4	Very low	161 Å²	161	100 Å²	100	70%	0.7	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-95.1	-0.8	-177.8	-69.3	-179.1	-179.7	172.5	0	115.5	D35 C36 S40	D35-K38 PolarHBondContact O-N 2.98Å; C36-K38 PolarHBondContact O-N 3.13Å; C36-K38 VanDerWaalsContact O-N 3.1Å; K38-S40 PolarHBondContact O-N 3.01Å; K38-S40 VanDerWaalsContact O-N 3.16Å
39	I	30.1	Very low	34.1	Very low	76 Å²	76	100.4 Å²	100.4	39%	0.39	58%	0.579	S	S	.	*			trans	-86.9	85	177.7	-49.7	178.4	0	0	0	109.3	C36 F41 P120	C36-I39 PolarHBondContact O-N 3.31Å; I39-F41 HydrophobicContact CG2-CD2 4.05Å; I39-F41 HydrophobicContact CG2-CE2 3.33Å; I39-F41 HydrophobicContact CG2-CZ 3.84Å; I39-P120 HydrophobicContact CD1-CB 4.45Å; I39-P120 HydrophobicContact CD1-CG 4.04Å
40	S	28.6	Very low	35.2	Very low	109 Å²	109	100.9 Å²	100.9	76%	0.762	59%	0.586	S	S	*	*			trans	-82	116.4	174.8	66.8	0	0	0	0	111.1	K38	K38-S40 PolarHBondContact O-N 3.01Å; K38-S40 VanDerWaalsContact O-N 3.16Å
41	F	38.5	Very low	36	Very low	107 Å²	107	98 Å²	98	47%	0.469	58%	0.584	S	S	.	*			trans	-91.4	112.3	164.5	-72.7	-84.4	0	0	0	108.7	I39 P95	I39-F41 HydrophobicContact CG2-CD2 4.05Å; I39-F41 HydrophobicContact CG2-CE2 3.33Å; I39-F41 HydrophobicContact CG2-CZ 3.84Å; F41-P95 HydrophobicContact CE2-CG 3.63Å; F41-P95 HydrophobicContact CZ-CG 3.47Å; F41-P95 VanDerWaalsContact CZ-CG 3.47Å
42	S	38	Very low	37.2	Very low	115 Å²	115	98.2 Å²	98.2	80%	0.804	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-83.8	128	169.9	40.4	0	0	0	0	109.3
43	L	41.5	Very low	38.5	Very low	83 Å²	83	98.5 Å²	98.5	44%	0.435	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-60.4	149	166.6	-76.9	166	0	0	0	109.4	F62 L87	L43-F62 HydrophobicContact CD1-CB 4.46Å; L43-F62 HydrophobicContact CD1-CD2 4.07Å; L43-F62 HydrophobicContact CD2-CD2 3.92Å; L43-F62 HydrophobicContact CD2-CE2 3.92Å; L43-F62 HydrophobicContact CG-CD2 4.12Å; L43-F62 HydrophobicContact CG-CE2 4.36Å; L43-L87 HydrophobicContact CD2-CD1 3.32Å
44	P	40.8	Very low	39.9	Very low	37 Å²	37	98 Å²	98	24%	0.24	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-55.4	141.8	171.3	-15.1	25.3	0	0	0	109.6	A46 Y90	P44-A46 PolarHBondContact O-N 3.39Å; P44-Y90 HydrophobicContact CB-CE2 4.39Å; P44-Y90 HydrophobicContact CG-CD2 3.35Å; P44-Y90 HydrophobicContact CG-CE1 4.48Å; P44-Y90 HydrophobicContact CG-CE2 3.23Å; P44-Y90 HydrophobicContact CG-CG 4.09Å
45	P	42.1	Very low	41.2	Very low	96 Å²	96	95.2 Å²	95.2	62%	0.623	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-54.8	137.4	-178.3	19	-30	0	0	0	111.2	S47	P45-S47 PolarHBondContact O-N 3.22Å
46	A	43.9	Very low	43.3	Very low	75 Å²	75	95.9 Å²	95.9	62%	0.62	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-60.9	-5.5	-176	0	0	0	0	0	114.3	P44 K48 Y49	P44-A46 PolarHBondContact O-N 3.39Å; A46-K48 PolarHBondContact O-N 3.34Å; A46-K48 VanDerWaalsContact O-N 3.08Å; A46-Y49 HydrophobicContact CB-CD2 4.2Å; A46-Y49 VanDerWaalsContact O-CD2 3.32Å; A46-Y49 WeakPolarHBondContact O-CD2 3.46Å; A46-Y49 PolarHBondContact O-N 3.35Å; A46-Y49 VanDerWaalsContact O-N 3.11Å
47	S	43.4	Very low	45.3	Very low	111 Å²	111	94.7 Å²	94.7	78%	0.776	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-66.3	-5.3	-179.8	57.2	0	0	0	0	115	P45	P45-S47 PolarHBondContact O-N 3.22Å
48	K	43.9	Very low	47.7	Very low	148 Å²	148	92.5 Å²	92.5	64%	0.643	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-90.5	-4.4	171.2	-72.2	-168.7	178.8	-178.2	0	114.6	A46	A46-K48 PolarHBondContact O-N 3.34Å; A46-K48 VanDerWaalsContact O-N 3.08Å
49	Y	42.9	Very low	50.4	Low	90 Å²	90	92.7 Å²	92.7	35%	0.353	57%	0.565	S	S	.	*	S	Bend	trans	-89.3	116.3	-179	-64.6	-73.8	0	0	0	110.9	A46 H58	A46-Y49 HydrophobicContact CB-CD2 4.2Å; A46-Y49 VanDerWaalsContact O-CD2 3.32Å; A46-Y49 WeakPolarHBondContact O-CD2 3.46Å; A46-Y49 PolarHBondContact O-N 3.35Å; A46-Y49 VanDerWaalsContact O-N 3.11Å; Y49-H58 AromaticContact CE1-CE1 3.34Å; Y49-H58 WeakPolarHBondContact CE1-CE1 3.43Å; Y49-H58 AromaticContact CE1-ND1 3.6Å; Y49-H58 AromaticContact CE1-NE2 3.95Å; Y49-H58 AromaticContact CZ-CE1 3.66Å; Y49-H58 AromaticContact CZ-ND1 3.66Å; Y49-H58 PolarHBondContact OH-CE1 3.14Å; Y49-H58 VanDerWaalsContact OH-CE1 3.31Å; Y49-H58 PolarHBondContact OH-ND1 2.59Å
50	V	48.2	Very low	53	Low	111 Å²	111	92.3 Å²	92.3	67%	0.673	56%	0.563	S	S	*	*			trans	-59.9	127.5	171.4	-178.5	0	0	0	0	108.5	G52	V50-G52 PolarHBondContact O-N 3.31Å; V50-G52 VanDerWaalsContact O-N 3.14Å
51	P	44	Very low	55.9	Low	130 Å²	130	90.9 Å²	90.9	84%	0.844	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	115.4	177.7	-10.5	23.9	0	0	0	109.3
52	G	52.3	Low	58.2	Low	84 Å²	84	88.1 Å²	88.1	87%	0.866	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.3	-14.1	168.2	0	0	0	0	0	117.1	V50	V50-G52 PolarHBondContact O-N 3.31Å; V50-G52 VanDerWaalsContact O-N 3.14Å
53	S	54.3	Low	60.6	Low	97 Å²	97	88 Å²	88	68%	0.678	53%	0.529	S	S	*	.			trans	-147.9	35.8	-175.8	71.6	0	0	0	0	114.6	P55	S53-P55 VanDerWaalsContact O-CD 3.31Å; S53-P55 WeakPolarHBondContact O-CD 3.46Å
54	S	55.8	Low	63	Low	60 Å²	60	86.9 Å²	86.9	42%	0.42	53%	0.526	S	S	.	.			trans	-64.5	124.1	174.3	62.6	0	0	0	0	109.6
55	P	60.8	Low	65.4	Low	73 Å²	73	85.3 Å²	85.3	47%	0.474	52%	0.516	S	S	.	.			trans	-50.2	143	174.5	-18.9	20.7	0	0	0	111.8	S53 I57 H58	S53-P55 VanDerWaalsContact O-CD 3.31Å; S53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-I57 HydrophobicContact CB-CG2 4.38Å; P55-I57 PolarHBondContact O-N 3.41Å; P55-H58 WeakPolarHBondContact CD-CD2 3.42Å; P55-H58 WeakPolarHBondContact O-CB 3.21Å; P55-H58 PolarHBondContact O-CD2 3.34Å; P55-H58 VanDerWaalsContact O-CD2 3.3Å; P55-H58 PolarHBondContact O-N 3.44Å
56	S	71.9	Confident	67.7	Low	96 Å²	96	81.5 Å²	81.5	67%	0.671	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-52.8	-27.5	-174.5	-61.6	0	0	0	0	114.4	H58 K59	S56-H58 VanDerWaalsContact C-N 3.26Å; S56-H58 PolarHBondContact O-N 2.95Å; S56-K59 WeakPolarHBondContact O-CB 3.3Å; S56-K59 PolarHBondContact O-N 3.17Å; S56-K59 VanDerWaalsContact O-N 3.12Å
57	I	74.9	Confident	69.9	Low	34 Å²	34	82.8 Å²	82.8	17%	0.174	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-65.4	-25.9	178.7	-162.9	162.1	0	0	0	113.7	P55 K59 L60 I65 W88	P55-I57 HydrophobicContact CB-CG2 4.38Å; P55-I57 PolarHBondContact O-N 3.41Å; I57-K59 PolarHBondContact O-N 3.32Å; I57-K59 VanDerWaalsContact O-N 3.09Å; I57-L60 HydrophobicContact CG1-CD1 4.15Å; I57-L60 WeakPolarHBondContact O-CB 3.19Å; I57-L60 PolarHBondContact O-N 2.93Å; I57-I65 HydrophobicContact CG1-CD1 4.34Å; I57-I65 HydrophobicContact CG1-CG1 4.37Å; I57-W88 HydrophobicContact CD1-CZ2 3.44Å; I57-W88 VanDerWaalsContact CD1-CZ2 3.44Å
58	H	78.3	Confident	72.2	Confident	49 Å²	49	81 Å²	81	23%	0.227	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-65.8	-11.6	175.1	-67.8	-83.6	0	0	0	113.1	Y49 P55 S56 L87	Y49-H58 AromaticContact CE1-CE1 3.34Å; Y49-H58 WeakPolarHBondContact CE1-CE1 3.43Å; Y49-H58 AromaticContact CE1-ND1 3.6Å; Y49-H58 AromaticContact CE1-NE2 3.95Å; Y49-H58 AromaticContact CZ-CE1 3.66Å; Y49-H58 AromaticContact CZ-ND1 3.66Å; Y49-H58 PolarHBondContact OH-CE1 3.14Å; Y49-H58 VanDerWaalsContact OH-CE1 3.31Å; Y49-H58 PolarHBondContact OH-ND1 2.59Å; P55-H58 WeakPolarHBondContact CD-CD2 3.42Å; P55-H58 WeakPolarHBondContact O-CB 3.21Å; P55-H58 PolarHBondContact O-CD2 3.34Å; P55-H58 VanDerWaalsContact O-CD2 3.3Å; P55-H58 PolarHBondContact O-N 3.44Å; S56-H58 VanDerWaalsContact C-N 3.26Å; S56-H58 PolarHBondContact O-N 2.95Å; H58-L87 VanDerWaalsContact ND1-CD2 3.34Å; H58-L87 WeakPolarHBondContact ND1-CD2 3.48Å
59	K	84.1	Confident	74.5	Confident	165 Å²	165	74 Å²	74	72%	0.717	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-83.5	-16.4	173.9	-58.7	-178.5	178.3	179.5	0	112.8	S56 I57	S56-K59 WeakPolarHBondContact O-CB 3.3Å; S56-K59 PolarHBondContact O-N 3.17Å; S56-K59 VanDerWaalsContact O-N 3.12Å; I57-K59 PolarHBondContact O-N 3.32Å; I57-K59 VanDerWaalsContact O-N 3.09Å
60	L	84.8	Confident	76.7	Confident	69 Å²	69	74.5 Å²	74.5	36%	0.361	44%	0.438	S	S	.	.	S	Bend	trans	-77.7	136.7	177.6	-64.4	-178.3	0	0	0	110	I57 V64 I65 I68	I57-L60 HydrophobicContact CG1-CD1 4.15Å; I57-L60 WeakPolarHBondContact O-CB 3.19Å; I57-L60 PolarHBondContact O-N 2.93Å; L60-V64 HydrophobicContact CD1-CG1 4.41Å; L60-V64 HydrophobicContact CD2-CG1 4.43Å; L60-I65 HydrophobicContact CB-CD1 4.3Å; L60-I65 HydrophobicContact CB-CG1 3.83Å; L60-I68 HydrophobicContact CD1-CD1 3.74Å
61	P	89	Confident	78.7	Confident	79 Å²	79	76.4 Å²	76.4	51%	0.513	44%	0.443	S	S	.	.			trans	-55.9	148.4	169.6	-23.2	33.1	0	0	0	111.5	D63 V64 I65	P61-D63 VanDerWaalsContact C-N 3.28Å; P61-D63 PolarHBondContact O-N 2.63Å; P61-V64 HydrophobicContact CB-CG2 4.13Å; P61-V64 HydrophobicContact CG-CG2 4.13Å; P61-V64 WeakPolarHBondContact O-CB 3.35Å; P61-V64 PolarHBondContact O-N 3.29Å; P61-I65 PolarHBondContact O-N 3.36Å; P61-I65 VanDerWaalsContact O-N 3.12Å
62	F	87.5	Confident	80.9	Confident	48 Å²	48	73 Å²	73	21%	0.211	42%	0.418	C	S	.	.	H	α-helix	trans	-55.6	-42.2	-177.1	-176.5	-105.6	0	0	0	112.8	L43 V64 I65 L66 V91 T94	L43-F62 HydrophobicContact CD1-CB 4.46Å; L43-F62 HydrophobicContact CD1-CD2 4.07Å; L43-F62 HydrophobicContact CD2-CD2 3.92Å; L43-F62 HydrophobicContact CD2-CE2 3.92Å; L43-F62 HydrophobicContact CG-CD2 4.12Å; L43-F62 HydrophobicContact CG-CE2 4.36Å; F62-V64 VanDerWaalsContact C-N 3.29Å; F62-V64 PolarHBondContact O-N 3.23Å; F62-I65 WeakPolarHBondContact O-CB 3.34Å; F62-I65 PolarHBondContact O-N 2.89Å; F62-I65 VanDerWaalsContact O-N 3.13Å; F62-L66 HydrophobicContact CD1-CD1 3.71Å; F62-L66 HydrophobicContact CD1-CG 4.19Å; F62-L66 HydrophobicContact CE1-CD1 3.42Å; F62-L66 VanDerWaalsContact CE1-CD1 3.42Å; F62-L66 HydrophobicContact CE1-CD2 4.44Å; F62-L66 HydrophobicContact CE1-CG 3.97Å; F62-L66 HydrophobicContact CZ-CD1 4.2Å; F62-L66 HydrophobicContact CZ-CD2 4.45Å; F62-L66 HydrophobicContact CZ-CG 4.35Å; F62-L66 PolarHBondContact O-N 3.29Å; F62-V91 HydrophobicContact CD2-CG2 4.07Å; F62-V91 HydrophobicContact CE2-CB 4.45Å; F62-V91 HydrophobicContact CE2-CG2 3.58Å; F62-T94 HydrophobicContact CE1-CG2 4.33Å; F62-T94 HydrophobicContact CZ-CG2 3.64Å
63	D	89	Confident	82.4	Confident	112 Å²	112	72.2 Å²	72.2	60%	0.599	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-35.2	179.6	-53.8	-37.9	0	0	0	111.9	P61 L66 E67	P61-D63 VanDerWaalsContact C-N 3.28Å; P61-D63 PolarHBondContact O-N 2.63Å; D63-L66 WeakPolarHBondContact O-CB 3.42Å; D63-L66 PolarHBondContact O-N 2.74Å; D63-E67 WeakPolarHBondContact O-CG 3.2Å; D63-E67 PolarHBondContact O-N 3.43Å
64	V	90.2	Very high	83.5	Confident	61 Å²	61	70.2 Å²	70.2	37%	0.37	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-40.6	174.9	178.2	0	0	0	0	110.5	L60 P61 F62 L66 E67 I68	L60-V64 HydrophobicContact CD1-CG1 4.41Å; L60-V64 HydrophobicContact CD2-CG1 4.43Å; P61-V64 HydrophobicContact CB-CG2 4.13Å; P61-V64 HydrophobicContact CG-CG2 4.13Å; P61-V64 WeakPolarHBondContact O-CB 3.35Å; P61-V64 PolarHBondContact O-N 3.29Å; F62-V64 VanDerWaalsContact C-N 3.29Å; F62-V64 PolarHBondContact O-N 3.23Å; V64-L66 VanDerWaalsContact C-N 3.31Å; V64-L66 PolarHBondContact O-N 2.92Å; V64-E67 PolarHBondContact O-N 2.7Å; V64-I68 HydrophobicContact CG1-CD1 3.99Å; V64-I68 WeakPolarHBondContact O-CD1 3.24Å; V64-I68 VanDerWaalsContact O-CG1 3.24Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 3.16Å
65	I	91.3	Very high	84.6	Confident	3 Å²	3	69.1 Å²	69.1	2%	0.015	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-41.2	175.3	-58.1	171.8	0	0	0	110.1	I57 L60 P61 F62 I68 F69 L87 V91	I57-I65 HydrophobicContact CG1-CD1 4.34Å; I57-I65 HydrophobicContact CG1-CG1 4.37Å; L60-I65 HydrophobicContact CB-CD1 4.3Å; L60-I65 HydrophobicContact CB-CG1 3.83Å; P61-I65 PolarHBondContact O-N 3.36Å; P61-I65 VanDerWaalsContact O-N 3.12Å; F62-I65 WeakPolarHBondContact O-CB 3.34Å; F62-I65 PolarHBondContact O-N 2.89Å; F62-I65 VanDerWaalsContact O-N 3.13Å; I65-I68 PolarHBondContact O-N 3.22Å; I65-F69 HydrophobicContact CG2-CD1 4.08Å; I65-F69 HydrophobicContact CG2-CD2 4.43Å; I65-F69 HydrophobicContact CG2-CE1 3.79Å; I65-F69 HydrophobicContact CG2-CE2 4.13Å; I65-F69 HydrophobicContact CG2-CG 4.39Å; I65-F69 HydrophobicContact CG2-CZ 3.8Å; I65-F69 WeakPolarHBondContact O-CB 3.43Å; I65-F69 WeakPolarHBondContact O-CD1 3.43Å; I65-F69 WeakPolarHBondContact O-CG 3.47Å; I65-F69 PolarHBondContact O-N 3.02Å; I65-L87 HydrophobicContact CD1-CD2 4Å; I65-V91 HydrophobicContact CG2-CG1 4.05Å; I65-V91 HydrophobicContact CG2-CG2 4.18Å
66	L	90.7	Very high	85.8	Confident	16 Å²	16	68 Å²	68	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-61	-46.8	175.3	-75.3	176.2	0	0	0	112.1	F62 D63 V64 I68 F69 K70 V91 T94 L97	F62-L66 HydrophobicContact CD1-CD1 3.71Å; F62-L66 HydrophobicContact CD1-CG 4.19Å; F62-L66 HydrophobicContact CE1-CD1 3.42Å; F62-L66 VanDerWaalsContact CE1-CD1 3.42Å; F62-L66 HydrophobicContact CE1-CD2 4.44Å; F62-L66 HydrophobicContact CE1-CG 3.97Å; F62-L66 HydrophobicContact CZ-CD1 4.2Å; F62-L66 HydrophobicContact CZ-CD2 4.45Å; F62-L66 HydrophobicContact CZ-CG 4.35Å; F62-L66 PolarHBondContact O-N 3.29Å; D63-L66 WeakPolarHBondContact O-CB 3.42Å; D63-L66 PolarHBondContact O-N 2.74Å; V64-L66 VanDerWaalsContact C-N 3.31Å; V64-L66 PolarHBondContact O-N 2.92Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 2.98Å; L66-F69 PolarHBondContact O-N 3.14Å; L66-K70 WeakPolarHBondContact O-CG 2.95Å; L66-K70 PolarHBondContact O-N 2.89Å; L66-V91 HydrophobicContact CD2-CG1 3.8Å; L66-T94 HydrophobicContact CD2-CG2 4.11Å; L66-T94 WeakPolarHBondContact CD2-OG1 3.41Å; L66-L97 HydrophobicContact CD2-CD1 3.93Å; L66-L97 HydrophobicContact CD2-CG 3.99Å
67	E	90.5	Very high	86.5	Confident	103 Å²	103	64.6 Å²	64.6	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-39.4	176.8	-68.1	-47.7	129.9	0	0	112	D63 V64 K70	D63-E67 WeakPolarHBondContact O-CG 3.2Å; D63-E67 PolarHBondContact O-N 3.43Å; V64-E67 PolarHBondContact O-N 2.7Å; E67-K70 PolarHBondContact O-N 3.28Å; E67-K70 IonicContact OE1-NZ 2.7Å; E67-K70 PolarHBondContact OE1-NZ 3.16Å; E67-K70 IonicContact OE2-NZ 3.01Å; E67-K70 PolarHBondContact OE2-NZ 3.38Å
68	I	91.4	Very high	86.7	Confident	72 Å²	72	65.5 Å²	65.5	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-45.7	173.8	-66.8	164.1	0	0	0	110.3	L60 V64 I65 L66 K70 L71	L60-I68 HydrophobicContact CD1-CD1 3.74Å; V64-I68 HydrophobicContact CG1-CD1 3.99Å; V64-I68 WeakPolarHBondContact O-CD1 3.24Å; V64-I68 VanDerWaalsContact O-CG1 3.24Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 3.16Å; I65-I68 PolarHBondContact O-N 3.22Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 2.98Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.96Å; I68-L71 WeakPolarHBondContact O-CB 3.28Å; I68-L71 PolarHBondContact O-N 3.34Å
69	F	93.2	Very high	87.1	Confident	3 Å²	3	67.2 Å²	67.2	1%	0.013	36%	0.356	C	S	.	.	H	α-helix	trans	-70.6	-29.8	-175.9	-79.3	21.2	0	0	0	112.4	I65 L66 L71 L72 L77 V81 W88 V91 L97	I65-F69 HydrophobicContact CG2-CD1 4.08Å; I65-F69 HydrophobicContact CG2-CD2 4.43Å; I65-F69 HydrophobicContact CG2-CE1 3.79Å; I65-F69 HydrophobicContact CG2-CE2 4.13Å; I65-F69 HydrophobicContact CG2-CG 4.39Å; I65-F69 HydrophobicContact CG2-CZ 3.8Å; I65-F69 WeakPolarHBondContact O-CB 3.43Å; I65-F69 WeakPolarHBondContact O-CD1 3.43Å; I65-F69 WeakPolarHBondContact O-CG 3.47Å; I65-F69 PolarHBondContact O-N 3.02Å; L66-F69 PolarHBondContact O-N 3.14Å; F69-L71 PolarHBondContact O-N 3.02Å; F69-L71 VanDerWaalsContact O-N 3.16Å; F69-L72 HydrophobicContact CB-CD1 4.41Å; F69-L72 HydrophobicContact CD1-CD1 3.88Å; F69-L72 HydrophobicContact CE1-CD1 4.43Å; F69-L72 HydrophobicContact CG-CD1 4.15Å; F69-L72 WeakPolarHBondContact O-CB 3.19Å; F69-L72 PolarHBondContact O-N 3.39Å; F69-L77 HydrophobicContact CB-CD2 3.93Å; F69-L77 HydrophobicContact CD2-CD2 4.35Å; F69-L77 HydrophobicContact CG-CD2 4.39Å; F69-L77 WeakPolarHBondContact O-CD2 3.21Å; F69-V81 HydrophobicContact CD2-CG1 3.71Å; F69-V81 HydrophobicContact CE2-CG1 3.21Å; F69-V81 HydrophobicContact CZ-CG1 3.85Å; F69-W88 HydrophobicContact CE1-CD2 4.36Å; F69-W88 HydrophobicContact CE1-CE3 4.35Å; F69-W88 HydrophobicContact CE1-CH2 4.49Å; F69-W88 HydrophobicContact CE1-CZ3 4.41Å; F69-W88 HydrophobicContact CE2-CB 4.35Å; F69-W88 HydrophobicContact CE2-CD2 4.4Å; F69-W88 HydrophobicContact CE2-CE3 4.48Å; F69-W88 HydrophobicContact CE2-CG 4.34Å; F69-W88 HydrophobicContact CZ-CB 4.29Å; F69-W88 AromaticContact CZ-CD2 3.55Å; F69-W88 HydrophobicContact CZ-CD2 3.55Å; F69-W88 AromaticContact CZ-CE2 3.92Å; F69-W88 AromaticContact CZ-CE3 3.71Å; F69-W88 HydrophobicContact CZ-CE3 3.71Å; F69-W88 AromaticContact CZ-CG 3.81Å; F69-W88 HydrophobicContact CZ-CG 3.81Å; F69-W88 HydrophobicContact CZ-CZ2 4.43Å; F69-W88 HydrophobicContact CZ-CZ3 4.21Å; F69-V91 HydrophobicContact CD2-CB 4.2Å; F69-V91 HydrophobicContact CD2-CG1 3.44Å; F69-V91 VanDerWaalsContact CD2-CG1 3.44Å; F69-V91 HydrophobicContact CE2-CB 3.91Å; F69-V91 HydrophobicContact CE2-CG1 3.63Å; F69-V91 HydrophobicContact CG-CG1 4.31Å; F69-L97 HydrophobicContact CB-CD1 3.65Å; F69-L97 HydrophobicContact CB-CD2 4Å; F69-L97 HydrophobicContact CD2-CD1 3.86Å; F69-L97 HydrophobicContact CG-CD1 4.28Å
70	K	88.8	Confident	87.4	Confident	100 Å²	100	63.9 Å²	63.9	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-25.1	172.1	-77.7	175.1	-176.3	173.5	0	113.2	L66 E67 I68 L72 L97	L66-K70 WeakPolarHBondContact O-CG 2.95Å; L66-K70 PolarHBondContact O-N 2.89Å; E67-K70 PolarHBondContact O-N 3.28Å; E67-K70 IonicContact OE1-NZ 2.7Å; E67-K70 PolarHBondContact OE1-NZ 3.16Å; E67-K70 IonicContact OE2-NZ 3.01Å; E67-K70 PolarHBondContact OE2-NZ 3.38Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.96Å; K70-L72 VanDerWaalsContact C-N 3.32Å; K70-L97 HydrophobicContact CB-CD2 4.44Å; K70-L97 HydrophobicContact CG-CD2 3.71Å
71	L	90.1	Very high	87.8	Confident	150 Å²	150	60.8 Å²	60.8	79%	0.785	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.2	178.5	-56	174.3	0	0	0	112.8	I68 F69	I68-L71 WeakPolarHBondContact O-CB 3.28Å; I68-L71 PolarHBondContact O-N 3.34Å; F69-L71 PolarHBondContact O-N 3.02Å; F69-L71 VanDerWaalsContact O-N 3.16Å
72	L	89.3	Confident	87.8	Confident	58 Å²	58	58.6 Å²	58.6	30%	0.304	32%	0.316	S	S	.	.	S	Bend	trans	-82.2	145.6	-179.8	-60.9	176.1	0	0	0	111.1	F69 K70 D76 L77 V81	F69-L72 HydrophobicContact CB-CD1 4.41Å; F69-L72 HydrophobicContact CD1-CD1 3.88Å; F69-L72 HydrophobicContact CE1-CD1 4.43Å; F69-L72 HydrophobicContact CG-CD1 4.15Å; F69-L72 WeakPolarHBondContact O-CB 3.19Å; F69-L72 PolarHBondContact O-N 3.39Å; K70-L72 VanDerWaalsContact C-N 3.32Å; L72-D76 HydrophobicContact CB-CB 4.38Å; L72-L77 HydrophobicContact CB-CD2 4.25Å; L72-L77 HydrophobicContact CB-CG 4.2Å; L72-L77 HydrophobicContact CD1-CD2 4.35Å; L72-V81 HydrophobicContact CD1-CG2 3.61Å
73	P	84.5	Confident	88.1	Confident	69 Å²	69	60.2 Å²	60.2	45%	0.448	34%	0.338	S	S	.	.			trans	-54.7	147	171.2	-24.4	33.4	0	0	0	112.3	S75 D76 L77	P73-S75 PolarHBondContact O-N 3.35Å; P73-S75 VanDerWaalsContact O-N 3.11Å; P73-D76 PolarHBondContact O-N 3.1Å; P73-L77 PolarHBondContact O-N 3.23Å; P73-L77 VanDerWaalsContact O-N 3.11Å
74	A	77.7	Confident	88.2	Confident	55 Å²	55	59 Å²	59	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-57	-30.9	179.1	0	0	0	0	0	113.2	L78	A74-L78 WeakPolarHBondContact O-CB 3.48Å; A74-L78 PolarHBondContact O-N 3.06Å; A74-L78 VanDerWaalsContact O-N 3.17Å
75	S	78.6	Confident	88.1	Confident	36 Å²	36	57.9 Å²	57.9	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-41.2	174.1	51.8	0	0	0	0	112.5	P73 L78 H79	P73-S75 PolarHBondContact O-N 3.35Å; P73-S75 VanDerWaalsContact O-N 3.11Å; S75-L78 PolarHBondContact O-N 3.17Å; S75-H79 PolarHBondContact O-CD2 2.86Å; S75-H79 VanDerWaalsContact O-CD2 3.24Å; S75-H79 PolarHBondContact O-N 3.26Å
76	D	85.9	Confident	88	Confident	49 Å²	49	62.9 Å²	62.9	26%	0.262	35%	0.353	S	S	.	.	I	π-helix	trans	-69	-42.9	179.2	-74.3	-16.6	0	0	0	110.6	L72 P73 L78 H79 N80 V81	L72-D76 HydrophobicContact CB-CB 4.38Å; P73-D76 PolarHBondContact O-N 3.1Å; D76-L78 PolarHBondContact O-N 3.03Å; D76-H79 PolarHBondContact O-N 3.09Å; D76-N80 HydrophobicContact CB-CB 4.45Å; D76-N80 PolarHBondContact O-N 3.34Å; D76-N80 PolarHBondContact OD1-ND2 3.14Å; D76-V81 WeakPolarHBondContact O-CB 3.37Å; D76-V81 WeakPolarHBondContact O-CG2 3.43Å; D76-V81 PolarHBondContact O-N 3.32Å
77	L	86.4	Confident	87.9	Confident	26 Å²	26	62.6 Å²	62.6	14%	0.136	35%	0.351	C	S	.	.	I	π-helix	trans	-57.1	-32	173.9	-71.2	177.4	0	0	0	112.8	F69 L72 P73 V81 P82 L97	F69-L77 HydrophobicContact CB-CD2 3.93Å; F69-L77 HydrophobicContact CD2-CD2 4.35Å; F69-L77 HydrophobicContact CG-CD2 4.39Å; F69-L77 WeakPolarHBondContact O-CD2 3.21Å; L72-L77 HydrophobicContact CB-CD2 4.25Å; L72-L77 HydrophobicContact CB-CG 4.2Å; L72-L77 HydrophobicContact CD1-CD2 4.35Å; P73-L77 PolarHBondContact O-N 3.23Å; P73-L77 VanDerWaalsContact O-N 3.11Å; L77-V81 HydrophobicContact CD2-CG2 4.33Å; L77-P82 WeakPolarHBondContact O-CD 3.26Å; L77-P82 WeakPolarHBondContact O-CG 3.37Å; L77-L97 HydrophobicContact CD2-CD1 4.17Å
78	L	80.2	Confident	88	Confident	52 Å²	52	60.3 Å²	60.3	27%	0.272	34%	0.338	S	S	.	.	I	π-helix	trans	-86.4	-41.6	-177.2	-174.8	58.7	0	0	0	113.6	E13 F14 A74 S75 D76 P82	E13-L78 WeakPolarHBondContact O-CD2 3.32Å; F14-L78 HydrophobicContact CD1-CD1 4.21Å; F14-L78 HydrophobicContact CD2-CD1 4.37Å; F14-L78 HydrophobicContact CD2-CD2 3.65Å; F14-L78 HydrophobicContact CE1-CD1 3.66Å; F14-L78 HydrophobicContact CE2-CD1 3.84Å; F14-L78 HydrophobicContact CE2-CD2 3.7Å; F14-L78 HydrophobicContact CE2-CG 4.43Å; F14-L78 HydrophobicContact CG-CD2 4.1Å; F14-L78 HydrophobicContact CZ-CD1 3.43Å; F14-L78 VanDerWaalsContact CZ-CD1 3.43Å; F14-L78 HydrophobicContact CZ-CD2 4.18Å; F14-L78 HydrophobicContact CZ-CG 4.47Å; A74-L78 WeakPolarHBondContact O-CB 3.48Å; A74-L78 PolarHBondContact O-N 3.06Å; A74-L78 VanDerWaalsContact O-N 3.17Å; S75-L78 PolarHBondContact O-N 3.17Å; D76-L78 PolarHBondContact O-N 3.03Å; L78-P82 WeakPolarHBondContact O-CG 3.11Å
79	H	85.5	Confident	87.9	Confident	86 Å²	86	61.4 Å²	61.4	40%	0.398	34%	0.338	S	S	.	.	I	π-helix	trans	-110	-49.7	-169.9	-58.2	-66.5	0	0	0	113	E13 S75 D76	E13-H79 PolarHBondContact O-CE1 3.4Å; E13-H79 PolarHBondContact O-NE2 2.9Å; S75-H79 PolarHBondContact O-CD2 2.86Å; S75-H79 VanDerWaalsContact O-CD2 3.24Å; S75-H79 PolarHBondContact O-N 3.26Å; D76-H79 PolarHBondContact O-N 3.09Å
80	N	91.9	Very high	87.8	Confident	95 Å²	95	66.1 Å²	66.1	51%	0.508	36%	0.356	S	S	.	.	I	π-helix	trans	-83.5	-46.8	-169.5	-67.8	-37.9	0	0	0	111.4	D76 A83 V84	D76-N80 HydrophobicContact CB-CB 4.45Å; D76-N80 PolarHBondContact O-N 3.34Å; D76-N80 PolarHBondContact OD1-ND2 3.14Å; N80-A83 PolarHBondContact O-N 3.32Å; N80-V84 WeakPolarHBondContact O-CG2 3.17Å
81	V	91.4	Very high	87.8	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-59.4	-48.7	-177.8	170.3	0	0	0	0	112.2	F69 L72 D76 L77 A83 V84 W88	F69-V81 HydrophobicContact CD2-CG1 3.71Å; F69-V81 HydrophobicContact CE2-CG1 3.21Å; F69-V81 HydrophobicContact CZ-CG1 3.85Å; L72-V81 HydrophobicContact CD1-CG2 3.61Å; D76-V81 WeakPolarHBondContact O-CB 3.37Å; D76-V81 WeakPolarHBondContact O-CG2 3.43Å; D76-V81 PolarHBondContact O-N 3.32Å; L77-V81 HydrophobicContact CD2-CG2 4.33Å; V81-A83 PolarHBondContact O-N 2.94Å; V81-V84 PolarHBondContact O-N 3.16Å; V81-W88 HydrophobicContact CB-CE3 4.3Å; V81-W88 HydrophobicContact CG1-CB 4.06Å; V81-W88 HydrophobicContact CG1-CE3 4Å; V81-W88 HydrophobicContact CG2-CE3 4.29Å; V81-W88 HydrophobicContact CG2-CZ3 4.43Å; V81-W88 WeakPolarHBondContact O-CB 3.13Å
82	P	90.9	Very high	87.8	Confident	32 Å²	32	54.6 Å²	54.6	21%	0.208	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-19.9	-178.2	-16.2	30.9	0	0	0	113.4	L77 L78 Y89 S92	L77-P82 WeakPolarHBondContact O-CD 3.26Å; L77-P82 WeakPolarHBondContact O-CG 3.37Å; L78-P82 WeakPolarHBondContact O-CG 3.11Å; P82-Y89 HydrophobicContact CB-CD2 3.79Å; P82-S92 WeakPolarHBondContact CG-OG 3.2Å
83	A	92	Very high	87.7	Confident	83 Å²	83	54.7 Å²	54.7	69%	0.686	30%	0.302	S	S	*	.	H	α-helix	trans	-82.2	-14.9	-179.1	0	0	0	0	0	113.9	N80 V81	N80-A83 PolarHBondContact O-N 3.32Å; V81-A83 PolarHBondContact O-N 2.94Å
84	V	91.2	Very high	88	Confident	85 Å²	85	51.6 Å²	51.6	52%	0.515	28%	0.282	S	S	.	.	H	α-helix	trans	-72.4	-56.1	-173.8	177.7	0	0	0	0	112.5	N80 V81 W88	N80-V84 WeakPolarHBondContact O-CG2 3.17Å; V81-V84 PolarHBondContact O-N 3.16Å; V84-W88 HydrophobicContact CB-CB 4.3Å; V84-W88 HydrophobicContact CB-CD2 3.68Å; V84-W88 HydrophobicContact CB-CE3 3.5Å; V84-W88 HydrophobicContact CB-CG 4.07Å; V84-W88 HydrophobicContact CB-CZ3 4.09Å; V84-W88 HydrophobicContact CG1-CD2 3.74Å; V84-W88 HydrophobicContact CG1-CE3 3.87Å; V84-W88 HydrophobicContact CG1-CG 4.24Å; V84-W88 HydrophobicContact CG1-CH2 4.38Å; V84-W88 HydrophobicContact CG1-CZ2 4.25Å; V84-W88 HydrophobicContact CG1-CZ3 4.21Å; V84-W88 HydrophobicContact CG2-CD2 4.07Å; V84-W88 HydrophobicContact CG2-CE3 3.35Å; V84-W88 HydrophobicContact CG2-CH2 4.38Å; V84-W88 HydrophobicContact CG2-CZ3 3.55Å
85	C	89.3	Confident	88.5	Confident	39 Å²	39	49.2 Å²	49.2	26%	0.264	26%	0.261	S	S	.	.			trans	-162.3	172	179	72.8	0	0	0	0	111.4	L87 W88 Y89	C85-L87 VanDerWaalsContact C-N 3.33Å; C85-L87 PolarHBondContact O-N 3.18Å; C85-W88 PolarHBondContact O-N 3.04Å; C85-Y89 PolarHBondContact O-N 3.33Å
86	Q	89.2	Confident	89	Confident	108 Å²	108	49.9 Å²	49.9	51%	0.505	26%	0.264	S	S	.	.	H	α-helix	trans	-56.5	-43.2	179.1	-71.8	-176.9	-5.2	0	0	112.9	W88 Y89 Y90	Q86-W88 VanDerWaalsContact C-N 3.34Å; Q86-W88 PolarHBondContact O-N 2.77Å; Q86-Y89 WeakPolarHBondContact O-CB 3.42Å; Q86-Y89 PolarHBondContact O-N 3.4Å; Q86-Y90 HydrophobicContact CB-CD2 4.48Å; Q86-Y90 HydrophobicContact CB-CE2 4.24Å; Q86-Y90 WeakPolarHBondContact O-CD2 3.49Å; Q86-Y90 PolarHBondContact O-N 2.89Å
87	L	88.8	Confident	89.2	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-47.9	178.2	172.8	63.2	0	0	0	111	L43 H58 I65 C85 Y89 Y90 V91	L43-L87 HydrophobicContact CD2-CD1 3.32Å; H58-L87 VanDerWaalsContact ND1-CD2 3.34Å; H58-L87 WeakPolarHBondContact ND1-CD2 3.48Å; I65-L87 HydrophobicContact CD1-CD2 4Å; C85-L87 VanDerWaalsContact C-N 3.33Å; C85-L87 PolarHBondContact O-N 3.18Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 3.18Å; L87-Y90 PolarHBondContact O-N 3.38Å; L87-V91 HydrophobicContact CD1-CG2 3.94Å; L87-V91 HydrophobicContact CG-CG2 4.26Å; L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 3.46Å
88	W	91.4	Very high	89.3	Confident	56 Å²	56	49.5 Å²	49.5	21%	0.212	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-38.6	-178.3	-70.3	33.7	0	0	0	111.6	I57 F69 V81 V84 C85 Q86 V91 S92	I57-W88 HydrophobicContact CD1-CZ2 3.44Å; I57-W88 VanDerWaalsContact CD1-CZ2 3.44Å; F69-W88 HydrophobicContact CE1-CD2 4.36Å; F69-W88 HydrophobicContact CE1-CE3 4.35Å; F69-W88 HydrophobicContact CE1-CH2 4.49Å; F69-W88 HydrophobicContact CE1-CZ3 4.41Å; F69-W88 HydrophobicContact CE2-CB 4.35Å; F69-W88 HydrophobicContact CE2-CD2 4.4Å; F69-W88 HydrophobicContact CE2-CE3 4.48Å; F69-W88 HydrophobicContact CE2-CG 4.34Å; F69-W88 HydrophobicContact CZ-CB 4.29Å; F69-W88 AromaticContact CZ-CD2 3.55Å; F69-W88 HydrophobicContact CZ-CD2 3.55Å; F69-W88 AromaticContact CZ-CE2 3.92Å; F69-W88 AromaticContact CZ-CE3 3.71Å; F69-W88 HydrophobicContact CZ-CE3 3.71Å; F69-W88 AromaticContact CZ-CG 3.81Å; F69-W88 HydrophobicContact CZ-CG 3.81Å; F69-W88 HydrophobicContact CZ-CZ2 4.43Å; F69-W88 HydrophobicContact CZ-CZ3 4.21Å; V81-W88 HydrophobicContact CB-CE3 4.3Å; V81-W88 HydrophobicContact CG1-CB 4.06Å; V81-W88 HydrophobicContact CG1-CE3 4Å; V81-W88 HydrophobicContact CG2-CE3 4.29Å; V81-W88 HydrophobicContact CG2-CZ3 4.43Å; V81-W88 WeakPolarHBondContact O-CB 3.13Å; V84-W88 HydrophobicContact CB-CB 4.3Å; V84-W88 HydrophobicContact CB-CD2 3.68Å; V84-W88 HydrophobicContact CB-CE3 3.5Å; V84-W88 HydrophobicContact CB-CG 4.07Å; V84-W88 HydrophobicContact CB-CZ3 4.09Å; V84-W88 HydrophobicContact CG1-CD2 3.74Å; V84-W88 HydrophobicContact CG1-CE3 3.87Å; V84-W88 HydrophobicContact CG1-CG 4.24Å; V84-W88 HydrophobicContact CG1-CH2 4.38Å; V84-W88 HydrophobicContact CG1-CZ2 4.25Å; V84-W88 HydrophobicContact CG1-CZ3 4.21Å; V84-W88 HydrophobicContact CG2-CD2 4.07Å; V84-W88 HydrophobicContact CG2-CE3 3.35Å; V84-W88 HydrophobicContact CG2-CH2 4.38Å; V84-W88 HydrophobicContact CG2-CZ3 3.55Å; C85-W88 PolarHBondContact O-N 3.04Å; Q86-W88 VanDerWaalsContact C-N 3.34Å; Q86-W88 PolarHBondContact O-N 2.77Å; W88-V91 PolarHBondContact O-N 3.35Å; W88-S92 VanDerWaalsContact O-CB 3.32Å; W88-S92 WeakPolarHBondContact O-CB 3.34Å; W88-S92 PolarHBondContact O-N 3.09Å; W88-S92 PolarHBondContact O-OG 3.03Å
89	Y	90.3	Very high	89.9	Confident	94 Å²	94	49.3 Å²	49.3	37%	0.369	26%	0.259	S	S	.	.	H	α-helix	trans	-54.4	-53.4	169.4	178.4	-94.1	0	0	0	111.1	P82 C85 Q86 L87 V91 S92 L93	P82-Y89 HydrophobicContact CB-CD2 3.79Å; C85-Y89 PolarHBondContact O-N 3.33Å; Q86-Y89 WeakPolarHBondContact O-CB 3.42Å; Q86-Y89 PolarHBondContact O-N 3.4Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 3.18Å; Y89-V91 PolarHBondContact O-N 3.3Å; Y89-S92 PolarHBondContact O-N 2.93Å; Y89-S92 PolarHBondContact O-OG 2.97Å; Y89-L93 HydrophobicContact CD1-CD1 4.11Å; Y89-L93 HydrophobicContact CE1-CD1 3.49Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.49Å; Y89-L93 HydrophobicContact CE1-CG 4.46Å; Y89-L93 HydrophobicContact CE2-CD1 4.48Å; Y89-L93 WeakPolarHBondContact O-CG 3.32Å; Y89-L93 PolarHBondContact O-N 3.3Å
90	Y	89.7	Confident	90.1	Very high	102 Å²	102	48.4 Å²	48.4	40%	0.4	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-39.5	179.7	-71	-64.7	0	0	0	113.4	P44 Q86 L87 L93	P44-Y90 HydrophobicContact CB-CE2 4.39Å; P44-Y90 HydrophobicContact CG-CD2 3.35Å; P44-Y90 HydrophobicContact CG-CE1 4.48Å; P44-Y90 HydrophobicContact CG-CE2 3.23Å; P44-Y90 HydrophobicContact CG-CG 4.09Å; Q86-Y90 HydrophobicContact CB-CD2 4.48Å; Q86-Y90 HydrophobicContact CB-CE2 4.24Å; Q86-Y90 WeakPolarHBondContact O-CD2 3.49Å; Q86-Y90 PolarHBondContact O-N 2.89Å; L87-Y90 PolarHBondContact O-N 3.38Å; Y90-L93 PolarHBondContact O-N 3.17Å
91	V	90.3	Very high	90	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-44.8	176.1	176.9	0	0	0	0	110.3	F62 I65 L66 F69 L87 W88 Y89 L93 T94 L97	F62-V91 HydrophobicContact CD2-CG2 4.07Å; F62-V91 HydrophobicContact CE2-CB 4.45Å; F62-V91 HydrophobicContact CE2-CG2 3.58Å; I65-V91 HydrophobicContact CG2-CG1 4.05Å; I65-V91 HydrophobicContact CG2-CG2 4.18Å; L66-V91 HydrophobicContact CD2-CG1 3.8Å; F69-V91 HydrophobicContact CD2-CB 4.2Å; F69-V91 HydrophobicContact CD2-CG1 3.44Å; F69-V91 VanDerWaalsContact CD2-CG1 3.44Å; F69-V91 HydrophobicContact CE2-CB 3.91Å; F69-V91 HydrophobicContact CE2-CG1 3.63Å; F69-V91 HydrophobicContact CG-CG1 4.31Å; L87-V91 HydrophobicContact CD1-CG2 3.94Å; L87-V91 HydrophobicContact CG-CG2 4.26Å; L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 3.46Å; W88-V91 PolarHBondContact O-N 3.35Å; Y89-V91 PolarHBondContact O-N 3.3Å; V91-L93 PolarHBondContact O-N 3.37Å; V91-L93 VanDerWaalsContact O-N 3.12Å; V91-T94 WeakPolarHBondContact O-CB 3.31Å; V91-T94 VanDerWaalsContact O-CG2 3.29Å; V91-T94 WeakPolarHBondContact O-CG2 3.38Å; V91-T94 PolarHBondContact O-N 3.31Å; V91-T94 PolarHBondContact O-OG1 3.4Å; V91-L97 HydrophobicContact CG1-CD1 3.88Å; V91-L97 WeakPolarHBondContact O-CD1 3.48Å
92	S	89.2	Confident	89.8	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-24.4	178.4	76.3	0	0	0	0	113.5	P82 W88 Y89 T94 R98	P82-S92 WeakPolarHBondContact CG-OG 3.2Å; W88-S92 VanDerWaalsContact O-CB 3.32Å; W88-S92 WeakPolarHBondContact O-CB 3.34Å; W88-S92 PolarHBondContact O-N 3.09Å; W88-S92 PolarHBondContact O-OG 3.03Å; Y89-S92 PolarHBondContact O-N 2.93Å; Y89-S92 PolarHBondContact O-OG 2.97Å; S92-T94 VanDerWaalsContact C-N 3.3Å; S92-R98 WeakPolarHBondContact O-CD 3.19Å; S92-R98 WeakPolarHBondContact O-CG 3.16Å
93	L	87.7	Confident	89.7	Confident	60 Å²	60	45.3 Å²	45.3	31%	0.314	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.7	176.9	-63.9	-179.3	0	0	0	113.3	Y89 Y90 V91 R98	Y89-L93 HydrophobicContact CD1-CD1 4.11Å; Y89-L93 HydrophobicContact CE1-CD1 3.49Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.49Å; Y89-L93 HydrophobicContact CE1-CG 4.46Å; Y89-L93 HydrophobicContact CE2-CD1 4.48Å; Y89-L93 WeakPolarHBondContact O-CG 3.32Å; Y89-L93 PolarHBondContact O-N 3.3Å; Y90-L93 PolarHBondContact O-N 3.17Å; V91-L93 PolarHBondContact O-N 3.37Å; V91-L93 VanDerWaalsContact O-N 3.12Å; L93-R98 VanDerWaalsContact C-NE 3.29Å; L93-R98 PolarHBondContact O-NE 2.79Å; L93-R98 PolarHBondContact O-NH2 2.98Å
94	T	89.9	Confident	89.4	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.025	23%	0.226	C	C	.	.	S	Bend	trans	-67.4	139.2	177	56.9	0	0	0	0	111.4	F62 L66 V91 S92 V96 L97 R98	F62-T94 HydrophobicContact CE1-CG2 4.33Å; F62-T94 HydrophobicContact CZ-CG2 3.64Å; L66-T94 HydrophobicContact CD2-CG2 4.11Å; L66-T94 WeakPolarHBondContact CD2-OG1 3.41Å; V91-T94 WeakPolarHBondContact O-CB 3.31Å; V91-T94 VanDerWaalsContact O-CG2 3.29Å; V91-T94 WeakPolarHBondContact O-CG2 3.38Å; V91-T94 PolarHBondContact O-N 3.31Å; V91-T94 PolarHBondContact O-OG1 3.4Å; S92-T94 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 2.95Å; T94-L97 PolarHBondContact O-N 3.3Å; T94-L97 VanDerWaalsContact O-N 3.12Å; T94-L97 WeakPolarHBondContact OG1-CG 3.42Å; T94-R98 PolarHBondContact O-N 2.96Å
95	P	89	Confident	89.1	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.026	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.2	178.1	-28.3	36.1	0	0	0	113.6	F41 L97 R98 P120 M121	F41-P95 HydrophobicContact CE2-CG 3.63Å; F41-P95 HydrophobicContact CZ-CG 3.47Å; F41-P95 VanDerWaalsContact CZ-CG 3.47Å; P95-L97 VanDerWaalsContact C-N 3.25Å; P95-L97 PolarHBondContact O-N 2.88Å; P95-R98 CarbonylContact O-C 3.48Å; P95-R98 PolarHBondContact O-N 3.28Å; P95-P120 HydrophobicContact CB-CG 4Å; P95-P120 HydrophobicContact CG-CG 3.99Å; P95-M121 HydrophobicContact CB-CB 4.23Å; P95-M121 HydrophobicContact CB-CG 3.99Å; P95-M121 HydrophobicContact CB-SD 4.18Å
96	V	89.4	Confident	89.1	Confident	51 Å²	51	55.1 Å²	55.1	31%	0.309	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-61.5	-33.1	178.6	-177.8	0	0	0	0	112	T94 T99 M121	T94-V96 PolarHBondContact O-N 2.95Å; V96-T99 WeakPolarHBondContact O-CG2 3.44Å; V96-M121 HydrophobicContact CG2-CE 4.44Å; V96-M121 HydrophobicContact CG2-SD 3.68Å
97	L	90	Very high	89	Confident	17 Å²	17	51 Å²	51	9%	0.089	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-90.7	-9.6	176.2	-62.5	-177.3	0	0	0	113.1	L66 F69 K70 L77 V91 T94 P95	L66-L97 HydrophobicContact CD2-CD1 3.93Å; L66-L97 HydrophobicContact CD2-CG 3.99Å; F69-L97 HydrophobicContact CB-CD1 3.65Å; F69-L97 HydrophobicContact CB-CD2 4Å; F69-L97 HydrophobicContact CD2-CD1 3.86Å; F69-L97 HydrophobicContact CG-CD1 4.28Å; K70-L97 HydrophobicContact CB-CD2 4.44Å; K70-L97 HydrophobicContact CG-CD2 3.71Å; L77-L97 HydrophobicContact CD2-CD1 4.17Å; V91-L97 HydrophobicContact CG1-CD1 3.88Å; V91-L97 WeakPolarHBondContact O-CD1 3.48Å; T94-L97 PolarHBondContact O-N 3.3Å; T94-L97 VanDerWaalsContact O-N 3.12Å; T94-L97 WeakPolarHBondContact OG1-CG 3.42Å; P95-L97 VanDerWaalsContact C-N 3.25Å; P95-L97 PolarHBondContact O-N 2.88Å
98	R	89.2	Confident	89.1	Confident	50 Å²	50	53.9 Å²	53.9	19%	0.189	25%	0.246	C	C	.	.			trans	-113.9	46.9	-175.2	-63.1	-168	-65.7	147.6	3.7	112.1	S92 L93 T94 P95 R100 S118 R119	S92-R98 WeakPolarHBondContact O-CD 3.19Å; S92-R98 WeakPolarHBondContact O-CG 3.16Å; L93-R98 VanDerWaalsContact C-NE 3.29Å; L93-R98 PolarHBondContact O-NE 2.79Å; L93-R98 PolarHBondContact O-NH2 2.98Å; T94-R98 PolarHBondContact O-N 2.96Å; P95-R98 CarbonylContact O-C 3.48Å; P95-R98 PolarHBondContact O-N 3.28Å; R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 3.19Å; R98-S118 PolarHBondContact NH2-O 3.08Å; R98-R119 HydrophobicContact CB-CG 4.06Å; R98-R119 WeakPolarHBondContact O-CD 3.4Å
99	T	91.1	Very high	89.1	Confident	47 Å²	47	52.6 Å²	52.6	29%	0.288	25%	0.247	S	C	.	.			trans	-79.7	-7.4	-179.3	58.3	0	0	0	0	113.8	V96 R123 V124	V96-T99 WeakPolarHBondContact O-CG2 3.44Å; T99-R123 HydrophobicContact CG2-CG 4.47Å; T99-R123 PolarHBondContact O-N 2.82Å; T99-V124 PolarHBondContact O-N 3.21Å
100	R	89.5	Confident	89.2	Confident	68 Å²	68	53 Å²	53	26%	0.257	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.7	179.9	-176.4	176.9	173.2	85.2	-13.2	111.1	R98 V102 V124 D503	R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 3.19Å; R100-V102 HydrophobicContact CG-CG2 4.44Å; R100-V124 WeakPolarHBondContact CA-O 3.48Å; R100-V124 HydrophobicContact CB-CB 4.47Å; R100-V124 HydrophobicContact CG-CB 4.19Å; R100-V124 HydrophobicContact CG-CG1 4.43Å; R100-V124 VanDerWaalsContact NH1-CG1 3.31Å; R100-D503 IonicContact CZ-OD1 3.02Å; R100-D503 IonicContact CZ-OD2 3.16Å; R100-D503 IonicContact NE-OD2 3.8Å; R100-D503 IonicContact NH1-OD1 2.81Å; R100-D503 PolarHBondContact NH1-OD1 2.73Å; R100-D503 IonicContact NH1-OD2 2.74Å; R100-D503 PolarHBondContact NH1-OD2 3.23Å; R100-D503 IonicContact NH2-OD1 3.47Å; R100-D503 IonicContact NH2-OD2 2.93Å
101	L	90.2	Very high	89.2	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	119.9	174.9	-178.9	57.4	0	0	0	109.8	L103 A115 I116 L122 V124 L125 R126	L101-L103 HydrophobicContact CD1-CD2 3.8Å; L101-L103 HydrophobicContact CD1-CG 4.35Å; L101-L103 HydrophobicContact CD2-CD1 4.39Å; L101-L103 HydrophobicContact CD2-CD2 4.23Å; L101-L103 HydrophobicContact CD2-CG 4.38Å; L101-L103 HydrophobicContact CG-CD2 3.97Å; L101-L103 HydrophobicContact CG-CG 4.03Å; L101-A115 HydrophobicContact CD1-CB 4.36Å; L101-A115 HydrophobicContact CD2-CB 3.86Å; L101-I116 HydrophobicContact CD2-CG1 3.95Å; L101-L122 HydrophobicContact CB-CD1 3.59Å; L101-L122 HydrophobicContact CB-CD2 4.38Å; L101-V124 PolarHBondContact N-O 3.14Å; L101-L125 HydrophobicContact CB-CD1 4.08Å; L101-L125 HydrophobicContact CD2-CD1 3.96Å; L101-L125 HydrophobicContact CG-CD1 3.99Å; L101-L125 WeakPolarHBondContact O-CA 3.1Å; L101-R126 PolarHBondContact O-N 3.03Å
102	V	88.3	Confident	89.3	Confident	55 Å²	55	50.3 Å²	50.3	33%	0.333	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.6	173.6	-176.1	0	0	0	0	107.9	R100 R126	R100-V102 HydrophobicContact CG-CG2 4.44Å; V102-R126 CarbonylContact C-O 3.55Å; V102-R126 WeakPolarHBondContact CA-O 3.49Å; V102-R126 HydrophobicContact CG1-CB 4.28Å; V102-R126 HydrophobicContact CG2-CB 4.23Å
103	L	89	Confident	89.5	Confident	9 Å²	9	51.1 Å²	51.1	5%	0.047	25%	0.25	C	C	.	.			trans	-113.8	135	-175.2	-62.4	172.6	0	0	0	110.5	L101 I107 I112 L125 R126 C127 L130	L101-L103 HydrophobicContact CD1-CD2 3.8Å; L101-L103 HydrophobicContact CD1-CG 4.35Å; L101-L103 HydrophobicContact CD2-CD1 4.39Å; L101-L103 HydrophobicContact CD2-CD2 4.23Å; L101-L103 HydrophobicContact CD2-CG 4.38Å; L101-L103 HydrophobicContact CG-CD2 3.97Å; L101-L103 HydrophobicContact CG-CG 4.03Å; L103-I107 HydrophobicContact CB-CD1 4Å; L103-I107 HydrophobicContact CD2-CD1 3.72Å; L103-I107 HydrophobicContact CG-CD1 4.48Å; L103-I112 HydrophobicContact CD1-CB 4.47Å; L103-I112 HydrophobicContact CD1-CG1 4.28Å; L103-I112 HydrophobicContact CD1-CG2 3.69Å; L103-L125 HydrophobicContact CD1-CD1 4.09Å; L103-R126 PolarHBondContact N-O 3.46Å; L103-C127 HydrophobicContact CB-CB 4.1Å; L103-C127 HydrophobicContact CD1-CB 4.28Å; L103-L130 HydrophobicContact CD1-CD2 4.42Å
104	R	83.9	Confident	89.6	Confident	129 Å²	129	52.4 Å²	52.4	49%	0.487	25%	0.25	S	S	.	.			trans	-76.6	154.5	173.1	-66.1	179.8	173.4	176.6	-5	110.6	E13 Q106 I107 L130	E13-R104 IonicContact OE1-NH2 2.69Å; E13-R104 PolarHBondContact OE1-NH2 3.5Å; R104-Q106 VanDerWaalsContact C-N 3.26Å; R104-Q106 PolarHBondContact O-N 3.19Å; R104-Q106 VanDerWaalsContact O-N 3.1Å; R104-I107 HydrophobicContact CB-CD1 4.21Å; R104-I107 HydrophobicContact CB-CG1 4.18Å; R104-I107 VanDerWaalsContact N-CD1 3.35Å; R104-I107 WeakPolarHBondContact O-CG1 3.32Å; R104-I107 PolarHBondContact O-N 3.18Å; R104-L130 VanDerWaalsContact O-CD1 3.24Å; R104-L130 WeakPolarHBondContact O-CD1 3.45Å
105	R	86.7	Confident	89.7	Confident	157 Å²	157	52.6 Å²	52.6	59%	0.592	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-34.3	-175.8	175.4	157.6	-168.1	-162.1	2.6	115.7	A129 K131	R105-A129 WeakPolarHBondContact CD-O 3.13Å; R105-A129 WeakPolarHBondContact CG-O 3.29Å; R105-A129 PolarHBondContact NE-O 2.99Å; R105-K131 WeakPolarHBondContact O-CB 3.38Å; R105-K131 PolarHBondContact O-N 3.47Å
106	Q	87.9	Confident	89.9	Confident	128 Å²	128	52.5 Å²	52.5	60%	0.598	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	11.6	-169.7	-60.5	-67.2	-5.6	0	0	114.4	R104 P108	R104-Q106 VanDerWaalsContact C-N 3.26Å; R104-Q106 PolarHBondContact O-N 3.19Å; R104-Q106 VanDerWaalsContact O-N 3.1Å; Q106-P108 WeakPolarHBondContact O-CD 3.37Å
107	I	87	Confident	90	Very high	20 Å²	20	52.7 Å²	52.7	10%	0.103	26%	0.255	C	S	.	.			trans	-67.5	128.6	-178.9	-61.2	177.4	0	0	0	109.6	I16 L103 R104 L111 I112 H132	I16-I107 HydrophobicContact CD1-CD1 4.09Å; I16-I107 HydrophobicContact CD1-CG2 4.03Å; L103-I107 HydrophobicContact CB-CD1 4Å; L103-I107 HydrophobicContact CD2-CD1 3.72Å; L103-I107 HydrophobicContact CG-CD1 4.48Å; R104-I107 HydrophobicContact CB-CD1 4.21Å; R104-I107 HydrophobicContact CB-CG1 4.18Å; R104-I107 VanDerWaalsContact N-CD1 3.35Å; R104-I107 WeakPolarHBondContact O-CG1 3.32Å; R104-I107 PolarHBondContact O-N 3.18Å; I107-L111 HydrophobicContact CG2-CB 3.83Å; I107-I112 HydrophobicContact CB-CD1 4.47Å; I107-I112 HydrophobicContact CB-CG1 4.09Å; I107-I112 HydrophobicContact CG2-CG1 3.74Å; I107-I112 WeakPolarHBondContact O-CD1 3.34Å; I107-H132 PolarHBondContact O-CD2 3.45Å
108	P	90.8	Very high	90	Very high	70 Å²	70	54 Å²	54	46%	0.455	27%	0.266	S	S	.	.			trans	-57.9	145.4	176.1	-25.7	33.5	0	0	0	113.6	Q106 E110 L111 I112	Q106-P108 WeakPolarHBondContact O-CD 3.37Å; P108-E110 VanDerWaalsContact C-N 3.33Å; P108-E110 PolarHBondContact O-N 2.84Å; P108-L111 HydrophobicContact CG-CD1 4.39Å; P108-L111 PolarHBondContact O-N 3.38Å; P108-I112 PolarHBondContact O-N 2.71Å
109	A	92.1	Very high	90.2	Very high	30 Å²	30	52.2 Å²	52.2	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-48.6	-48.3	-178.2	0	0	0	0	0	113.9	L111 I112 T113 H132 V136	A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.94Å; A109-I112 WeakPolarHBondContact O-CB 3.47Å; A109-I112 PolarHBondContact O-N 3.05Å; A109-I112 VanDerWaalsContact O-N 3.13Å; A109-T113 PolarHBondContact O-N 2.92Å; A109-T113 PolarHBondContact O-OG1 3.12Å; A109-H132 HydrophobicContact CB-CB 4.15Å; A109-V136 HydrophobicContact CB-CG2 3.65Å
110	E	91.7	Very high	90.3	Very high	102 Å²	102	51.6 Å²	51.6	48%	0.477	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-37.6	-178.9	178.9	60.9	-168.3	0	0	113	P108 R114	P108-E110 VanDerWaalsContact C-N 3.33Å; P108-E110 PolarHBondContact O-N 2.84Å; E110-R114 WeakPolarHBondContact O-CG 3.36Å; E110-R114 PolarHBondContact O-N 3.3Å; E110-R114 IonicContact OE1-CZ 3.18Å; E110-R114 IonicContact OE1-NE 2.75Å; E110-R114 PolarHBondContact OE1-NE 3.06Å; E110-R114 IonicContact OE1-NH2 2.77Å; E110-R114 PolarHBondContact OE1-NH2 3.1Å
111	L	91.2	Very high	90.5	Very high	46 Å²	46	50.8 Å²	50.8	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-72.6	-34.5	178.2	-65.4	-175.6	0	0	0	111.6	I16 I107 P108 A109 A115	I16-L111 HydrophobicContact CD1-CB 4.36Å; I16-L111 HydrophobicContact CG2-CD2 4.48Å; I107-L111 HydrophobicContact CG2-CB 3.83Å; P108-L111 HydrophobicContact CG-CD1 4.39Å; P108-L111 PolarHBondContact O-N 3.38Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.94Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.12Å
112	I	91.8	Very high	90.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-50.2	173.9	-60.3	156.7	0	0	0	109.6	L103 I107 P108 A109 R114 A115 I116 L130 H132 V136	L103-I112 HydrophobicContact CD1-CB 4.47Å; L103-I112 HydrophobicContact CD1-CG1 4.28Å; L103-I112 HydrophobicContact CD1-CG2 3.69Å; I107-I112 HydrophobicContact CB-CD1 4.47Å; I107-I112 HydrophobicContact CB-CG1 4.09Å; I107-I112 HydrophobicContact CG2-CG1 3.74Å; I107-I112 WeakPolarHBondContact O-CD1 3.34Å; P108-I112 PolarHBondContact O-N 2.71Å; A109-I112 WeakPolarHBondContact O-CB 3.47Å; A109-I112 PolarHBondContact O-N 3.05Å; A109-I112 VanDerWaalsContact O-N 3.13Å; I112-R114 PolarHBondContact O-N 3.22Å; I112-A115 WeakPolarHBondContact O-CB 3.35Å; I112-A115 PolarHBondContact O-N 3.43Å; I112-A115 VanDerWaalsContact O-N 3.16Å; I112-I116 HydrophobicContact CG2-CD1 3.88Å; I112-I116 WeakPolarHBondContact O-CG1 3.39Å; I112-I116 PolarHBondContact O-N 3.46Å; I112-L130 HydrophobicContact CD1-CD1 4.03Å; I112-L130 HydrophobicContact CD1-CD2 3.79Å; I112-L130 HydrophobicContact CD1-CG 4.18Å; I112-L130 HydrophobicContact CG1-CD2 4.44Å; I112-L130 HydrophobicContact CG2-CD2 4.47Å; I112-H132 HydrophobicContact CD1-CB 3.98Å; I112-V136 HydrophobicContact CB-CG1 4.07Å; I112-V136 HydrophobicContact CG2-CB 4.27Å; I112-V136 HydrophobicContact CG2-CG1 3.56Å
113	T	92.6	Very high	91	Very high	26 Å²	26	53.5 Å²	53.5	16%	0.16	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-51.1	179.2	-56.9	0	0	0	0	110.9	F25 A109 A115 I116 S117 V136	F25-T113 HydrophobicContact CD2-CG2 4.43Å; F25-T113 HydrophobicContact CE2-CG2 3.74Å; A109-T113 PolarHBondContact O-N 2.92Å; A109-T113 PolarHBondContact O-OG1 3.12Å; T113-A115 VanDerWaalsContact C-N 3.32Å; T113-A115 PolarHBondContact O-N 3.02Å; T113-I116 PolarHBondContact O-N 3.32Å; T113-S117 WeakPolarHBondContact O-CB 3.27Å; T113-S117 PolarHBondContact O-N 3.31Å; T113-S117 PolarHBondContact O-OG 2.63Å; T113-V136 WeakPolarHBondContact OG1-CG1 3.21Å
114	R	90.7	Very high	91.2	Very high	87 Å²	87	53.4 Å²	53.4	33%	0.328	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-41.6	176.8	-71.6	-179.6	-166	178.5	9.2	112.5	V19 E110 I112 I116 S118	V19-R114 PolarHBondContact O-NH1 2.88Å; E110-R114 WeakPolarHBondContact O-CG 3.36Å; E110-R114 PolarHBondContact O-N 3.3Å; E110-R114 IonicContact OE1-CZ 3.18Å; E110-R114 IonicContact OE1-NE 2.75Å; E110-R114 PolarHBondContact OE1-NE 3.06Å; E110-R114 IonicContact OE1-NH2 2.77Å; E110-R114 PolarHBondContact OE1-NH2 3.1Å; I112-R114 PolarHBondContact O-N 3.22Å; R114-I116 PolarHBondContact O-N 2.93Å; R114-S118 VanDerWaalsContact O-CB 3.28Å; R114-S118 WeakPolarHBondContact O-CB 3.44Å; R114-S118 PolarHBondContact O-N 3.47Å; R114-S118 PolarHBondContact O-OG 2.81Å
115	A	91.2	Very high	91.7	Very high	8 Å²	8	47.2 Å²	47.2	7%	0.066	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-45.8	179.2	0	0	0	0	0	111.1	L101 L111 I112 T113 S118 R119	L101-A115 HydrophobicContact CD1-CB 4.36Å; L101-A115 HydrophobicContact CD2-CB 3.86Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.12Å; I112-A115 WeakPolarHBondContact O-CB 3.35Å; I112-A115 PolarHBondContact O-N 3.43Å; I112-A115 VanDerWaalsContact O-N 3.16Å; T113-A115 VanDerWaalsContact C-N 3.32Å; T113-A115 PolarHBondContact O-N 3.02Å; A115-S118 PolarHBondContact O-OG 3.17Å; A115-R119 PolarHBondContact O-NH1 3.31Å
116	I	93.4	Very high	91.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-50.8	178.1	-66.2	171.8	0	0	0	110.7	L101 I112 T113 R114 S118 R119 L125 L137 A140 C144	L101-I116 HydrophobicContact CD2-CG1 3.95Å; I112-I116 HydrophobicContact CG2-CD1 3.88Å; I112-I116 WeakPolarHBondContact O-CG1 3.39Å; I112-I116 PolarHBondContact O-N 3.46Å; T113-I116 PolarHBondContact O-N 3.32Å; R114-I116 PolarHBondContact O-N 2.93Å; I116-S118 PolarHBondContact O-N 3.04Å; I116-S118 VanDerWaalsContact O-N 3.14Å; I116-R119 PolarHBondContact O-N 3.13Å; I116-L125 HydrophobicContact CD1-CD2 4.07Å; I116-L137 HydrophobicContact CD1-CD2 4.22Å; I116-A140 HydrophobicContact CB-CB 4.47Å; I116-A140 HydrophobicContact CD1-CB 3.7Å; I116-A140 HydrophobicContact CG2-CB 4.14Å; I116-C144 WeakPolarHBondContact CG2-SG 3.37Å
117	S	92.1	Very high	92	Very high	55 Å²	55	36.3 Å²	36.3	39%	0.385	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-27.9	-178.7	-56.2	0	0	0	0	113.6	T113 R119 L143	T113-S117 WeakPolarHBondContact O-CB 3.27Å; T113-S117 PolarHBondContact O-N 3.31Å; T113-S117 PolarHBondContact O-OG 2.63Å; S117-R119 PolarHBondContact O-N 2.92Å; S117-L143 VanDerWaalsContact OG-CD1 3.3Å; S117-L143 WeakPolarHBondContact OG-CD1 3.36Å
118	S	90.9	Very high	92	Very high	45 Å²	45	39.5 Å²	39.5	32%	0.315	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.9	176.9	73.9	0	0	0	0	114.7	R98 R114 A115 I116	R98-S118 PolarHBondContact NH2-O 3.08Å; R114-S118 VanDerWaalsContact O-CB 3.28Å; R114-S118 WeakPolarHBondContact O-CB 3.44Å; R114-S118 PolarHBondContact O-N 3.47Å; R114-S118 PolarHBondContact O-OG 2.81Å; A115-S118 PolarHBondContact O-OG 3.17Å; I116-S118 PolarHBondContact O-N 3.04Å; I116-S118 VanDerWaalsContact O-N 3.14Å
119	R	93.2	Very high	91.8	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.045	19%	0.193	C	C	.	.			trans	-130	69.7	-174.7	-64.6	176.8	177.8	80.7	-4.1	111.3	R98 A115 I116 S117 M121 L122	R98-R119 HydrophobicContact CB-CG 4.06Å; R98-R119 WeakPolarHBondContact O-CD 3.4Å; A115-R119 PolarHBondContact O-NH1 3.31Å; I116-R119 PolarHBondContact O-N 3.13Å; S117-R119 PolarHBondContact O-N 2.92Å; R119-M121 PolarHBondContact O-N 3.11Å; R119-M121 VanDerWaalsContact O-N 3.08Å; R119-L122 HydrophobicContact CB-CB 4.12Å; R119-L122 HydrophobicContact CB-CD1 4.31Å; R119-L122 VanDerWaalsContact O-CB 3.27Å; R119-L122 WeakPolarHBondContact O-CB 3.4Å; R119-L122 PolarHBondContact O-N 3.47Å
120	P	91.8	Very high	91.6	Very high	35 Å²	35	35.9 Å²	35.9	23%	0.227	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.2	179.5	25.9	-35.7	0	0	0	113.9	I39 P95	I39-P120 HydrophobicContact CD1-CB 4.45Å; I39-P120 HydrophobicContact CD1-CG 4.04Å; P95-P120 HydrophobicContact CB-CG 4Å; P95-P120 HydrophobicContact CG-CG 3.99Å
121	M	94.2	Very high	91.4	Very high	50 Å²	50	37.6 Å²	37.6	25%	0.246	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	23.4	176.8	-55.6	-174.8	83.8	0	0	112.9	P95 V96 R119 R123 L146	P95-M121 HydrophobicContact CB-CB 4.23Å; P95-M121 HydrophobicContact CB-CG 3.99Å; P95-M121 HydrophobicContact CB-SD 4.18Å; V96-M121 HydrophobicContact CG2-CE 4.44Å; V96-M121 HydrophobicContact CG2-SD 3.68Å; R119-M121 PolarHBondContact O-N 3.11Å; R119-M121 VanDerWaalsContact O-N 3.08Å; M121-R123 PolarHBondContact O-N 3.48Å; M121-L146 HydrophobicContact CB-CD1 4.29Å; M121-L146 HydrophobicContact CE-CD1 4.33Å; M121-L146 HydrophobicContact CG-CD1 4.36Å
122	L	94.2	Very high	91.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.			trans	-62	125.9	179.4	-169.6	70.1	0	0	0	110.5	L101 R119 L125 L146 L147	L101-L122 HydrophobicContact CB-CD1 3.59Å; L101-L122 HydrophobicContact CB-CD2 4.38Å; R119-L122 HydrophobicContact CB-CB 4.12Å; R119-L122 HydrophobicContact CB-CD1 4.31Å; R119-L122 VanDerWaalsContact O-CB 3.27Å; R119-L122 WeakPolarHBondContact O-CB 3.4Å; R119-L122 PolarHBondContact O-N 3.47Å; L122-L125 HydrophobicContact CD2-CB 3.99Å; L122-L125 HydrophobicContact CD2-CD1 4.33Å; L122-L125 HydrophobicContact CD2-CD2 4.44Å; L122-L125 HydrophobicContact CD2-CG 4.49Å; L122-L146 CarbonylContact O-C 3.56Å; L122-L147 HydrophobicContact CD2-CD1 4.27Å; L122-L147 HydrophobicContact CG-CD1 4.2Å; L122-L147 WeakPolarHBondContact O-CA 3.5Å; L122-L147 PolarHBondContact O-N 2.81Å
123	R	94.6	Very high	91.2	Very high	113 Å²	113	38.3 Å²	38.3	43%	0.426	19%	0.189	S	C	.	.			trans	-106.8	-38.5	176.9	-64.7	-173.3	68.3	-143.7	-2.3	112	T99 M121 L147 T148 C149	T99-R123 HydrophobicContact CG2-CG 4.47Å; T99-R123 PolarHBondContact O-N 2.82Å; M121-R123 PolarHBondContact O-N 3.48Å; R123-L147 WeakPolarHBondContact O-CD1 3.13Å; R123-T148 PolarHBondContact O-N 2.72Å; R123-T148 PolarHBondContact O-OG1 3.1Å; R123-C149 PolarHBondContact O-N 3.1Å
124	V	93.3	Very high	91.2	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.5	-177.2	-175.3	0	0	0	0	110.7	T99 R100 L101 R126 C149	T99-V124 PolarHBondContact O-N 3.21Å; R100-V124 WeakPolarHBondContact CA-O 3.48Å; R100-V124 HydrophobicContact CB-CB 4.47Å; R100-V124 HydrophobicContact CG-CB 4.19Å; R100-V124 HydrophobicContact CG-CG1 4.43Å; R100-V124 VanDerWaalsContact NH1-CG1 3.31Å; L101-V124 PolarHBondContact N-O 3.14Å; V124-R126 HydrophobicContact CG1-CG 4.12Å; V124-C149 WeakPolarHBondContact CA-O 3.45Å; V124-C149 HydrophobicContact CB-CB 4.35Å; V124-C149 HydrophobicContact CG1-CB 4.01Å; V124-C149 HydrophobicContact CG2-CB 4.08Å
125	L	94	Very high	91.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.6	173.4	179.8	57.1	0	0	0	110.2	L101 L103 I116 L122 L137 I141 L147 C149 L150 N151	L101-L125 HydrophobicContact CB-CD1 4.08Å; L101-L125 HydrophobicContact CD2-CD1 3.96Å; L101-L125 HydrophobicContact CG-CD1 3.99Å; L101-L125 WeakPolarHBondContact O-CA 3.1Å; L103-L125 HydrophobicContact CD1-CD1 4.09Å; I116-L125 HydrophobicContact CD1-CD2 4.07Å; L122-L125 HydrophobicContact CD2-CB 3.99Å; L122-L125 HydrophobicContact CD2-CD1 4.33Å; L122-L125 HydrophobicContact CD2-CD2 4.44Å; L122-L125 HydrophobicContact CD2-CG 4.49Å; L125-L137 HydrophobicContact CD2-CD2 4.24Å; L125-I141 HydrophobicContact CD2-CD1 3.76Å; L125-L147 HydrophobicContact CB-CD1 3.84Å; L125-C149 PolarHBondContact N-O 3.24Å; L125-L150 HydrophobicContact CB-CD1 4.05Å; L125-L150 HydrophobicContact CD2-CD1 3.91Å; L125-L150 HydrophobicContact CG-CD1 4.02Å; L125-L150 WeakPolarHBondContact O-CA 3.24Å; L125-N151 PolarHBondContact O-N 3.25Å
126	R	91	Very high	91.5	Very high	55 Å²	55	40.6 Å²	40.6	21%	0.208	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.7	175.6	-58.7	-172.4	171.2	167.5	3.2	110.7	L101 V102 L103 V124 N151 C501 D503	L101-R126 PolarHBondContact O-N 3.03Å; V102-R126 CarbonylContact C-O 3.55Å; V102-R126 WeakPolarHBondContact CA-O 3.49Å; V102-R126 HydrophobicContact CG1-CB 4.28Å; V102-R126 HydrophobicContact CG2-CB 4.23Å; L103-R126 PolarHBondContact N-O 3.46Å; V124-R126 HydrophobicContact CG1-CG 4.12Å; R126-N151 HydrophobicContact CB-CB 4.32Å; R126-N151 HydrophobicContact CG-CB 4.04Å; R126-C501 PolarHBondContact NH2-O 2.94Å; R126-D503 IonicContact CZ-OD1 3.63Å; R126-D503 IonicContact NH1-OD1 2.77Å; R126-D503 IonicContact NH2-OD1 3.85Å; R126-D503 PolarHBondContact NH2-OD1 3.31Å
127	C	90.2	Very high	91.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.			trans	-149.4	66.1	-177.6	37.5	0	0	0	0	110	L103 A129 L130 N151 I152	L103-C127 HydrophobicContact CB-CB 4.1Å; L103-C127 HydrophobicContact CD1-CB 4.28Å; C127-A129 PolarHBondContact O-N 3.3Å; C127-L130 HydrophobicContact CB-CB 3.93Å; C127-L130 HydrophobicContact CB-CD2 3.69Å; C127-L130 HydrophobicContact CB-CG 4.31Å; C127-L130 WeakPolarHBondContact O-CB 3.42Å; C127-N151 PolarHBondContact N-O 3.36Å; C127-N151 PolarHBondContact SG-O 3.33Å; C127-I152 VanDerWaalsContact SG-CG2 3.56Å
128	L	86.3	Confident	91.7	Very high	88 Å²	88	38.2 Å²	38.2	46%	0.461	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	131.2	179.3	-165.9	77	0	0	0	110.9	L130 G153 F154	L128-L130 PolarHBondContact O-N 2.9Å; L128-L130 VanDerWaalsContact O-N 3.11Å; L128-G153 WeakPolarHBondContact CD1-O 3.23Å; L128-F154 HydrophobicContact CD1-CD2 4.1Å
129	A	88	Confident	91.8	Very high	20 Å²	20	41 Å²	41	17%	0.165	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	32.9	177.9	0	0	0	0	0	114.2	R105 C127 K131 G153 F154	R105-A129 WeakPolarHBondContact CD-O 3.13Å; R105-A129 WeakPolarHBondContact CG-O 3.29Å; R105-A129 PolarHBondContact NE-O 2.99Å; C127-A129 PolarHBondContact O-N 3.3Å; A129-K131 PolarHBondContact O-N 2.89Å; A129-G153 PolarHBondContact N-O 3.12Å; A129-F154 WeakPolarHBondContact CA-O 3.3Å; A129-F154 HydrophobicContact CB-CB 4.09Å
130	L	87.2	Confident	91.8	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.205	C	C	.	.			trans	-67.1	119.3	-172.8	-178.1	68.9	0	0	0	111.1	L103 R104 I112 C127 L128 H132 A133	L103-L130 HydrophobicContact CD1-CD2 4.42Å; R104-L130 VanDerWaalsContact O-CD1 3.24Å; R104-L130 WeakPolarHBondContact O-CD1 3.45Å; I112-L130 HydrophobicContact CD1-CD1 4.03Å; I112-L130 HydrophobicContact CD1-CD2 3.79Å; I112-L130 HydrophobicContact CD1-CG 4.18Å; I112-L130 HydrophobicContact CG1-CD2 4.44Å; I112-L130 HydrophobicContact CG2-CD2 4.47Å; C127-L130 HydrophobicContact CB-CB 3.93Å; C127-L130 HydrophobicContact CB-CD2 3.69Å; C127-L130 HydrophobicContact CB-CG 4.31Å; C127-L130 WeakPolarHBondContact O-CB 3.42Å; L128-L130 PolarHBondContact O-N 2.9Å; L128-L130 VanDerWaalsContact O-N 3.11Å; L130-H132 PolarHBondContact O-N 2.74Å; L130-H132 VanDerWaalsContact O-N 3.17Å; L130-A133 HydrophobicContact CB-CB 4.16Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 3.14Å
131	K	87.2	Confident	91.9	Very high	139 Å²	139	39.2 Å²	39.2	60%	0.604	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.4	-173.9	-174.8	179.8	-180	-177.5	0	113.5	R105 A129	R105-K131 WeakPolarHBondContact O-CB 3.38Å; R105-K131 PolarHBondContact O-N 3.47Å; A129-K131 PolarHBondContact O-N 2.89Å
132	H	89.3	Confident	91.9	Very high	60 Å²	60	43.8 Å²	43.8	28%	0.278	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	18.6	-178.3	-63.2	-66.5	0	0	0	113	I107 A109 I112 L130 E134 S135 V136	I107-H132 PolarHBondContact O-CD2 3.45Å; A109-H132 HydrophobicContact CB-CB 4.15Å; I112-H132 HydrophobicContact CD1-CB 3.98Å; L130-H132 PolarHBondContact O-N 2.74Å; L130-H132 VanDerWaalsContact O-N 3.17Å; H132-E134 PolarHBondContact O-N 3.3Å; H132-S135 PolarHBondContact O-N 3.21Å; H132-S135 PolarHBondContact O-OG 3.17Å; H132-V136 PolarHBondContact O-N 3.32Å
133	A	90.3	Very high	91.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-52.6	-51.3	-179.4	0	0	0	0	0	112.2	L130 S135 V136 L137 P138 L157	L130-A133 HydrophobicContact CB-CB 4.16Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 3.14Å; A133-S135 VanDerWaalsContact C-N 3.34Å; A133-S135 PolarHBondContact O-N 2.82Å; A133-V136 PolarHBondContact O-N 3.12Å; A133-L137 HydrophobicContact CB-CD1 3.75Å; A133-L137 HydrophobicContact CB-CG 4.34Å; A133-L137 WeakPolarHBondContact O-CB 3.43Å; A133-L137 WeakPolarHBondContact O-CG 3.41Å; A133-L137 PolarHBondContact O-N 3.02Å; A133-P138 WeakPolarHBondContact O-CD 3.33Å; A133-L157 HydrophobicContact CB-CD2 4Å
134	E	93.5	Very high	91.9	Very high	87 Å²	87	40.2 Å²	40.2	41%	0.407	20%	0.203	S	C	.	.	H	α-helix	trans	-57.7	-44.2	-177.5	-175.2	170.9	-179.4	0	0	113	H132 V136 P138 L157 S158 A161	H132-E134 PolarHBondContact O-N 3.3Å; E134-V136 VanDerWaalsContact C-N 3.28Å; E134-V136 PolarHBondContact O-N 3.09Å; E134-P138 WeakPolarHBondContact O-CD 3.39Å; E134-P138 WeakPolarHBondContact O-CG 3.5Å; E134-L157 VanDerWaalsContact CA-CD2 3.45Å; E134-L157 HydrophobicContact CB-CD2 3.94Å; E134-S158 WeakPolarHBondContact OE1-CB 3.48Å; E134-S158 PolarHBondContact OE1-OG 3.36Å; E134-A161 HydrophobicContact CG-CB 3.66Å
135	S	93	Very high	92	Very high	77 Å²	77	42.3 Å²	42.3	54%	0.538	22%	0.216	S	C	.	.	H	α-helix	trans	-73.8	-15.1	-176.5	54.1	0	0	0	0	114.6	H132 A133	H132-S135 PolarHBondContact O-N 3.21Å; H132-S135 PolarHBondContact O-OG 3.17Å; A133-S135 VanDerWaalsContact C-N 3.34Å; A133-S135 PolarHBondContact O-N 2.82Å
136	V	93.7	Very high	92.1	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-124.5	-51.3	-169.8	-177.5	0	0	0	0	112.7	A109 I112 T113 H132 A133 E134 A140	A109-V136 HydrophobicContact CB-CG2 3.65Å; I112-V136 HydrophobicContact CB-CG1 4.07Å; I112-V136 HydrophobicContact CG2-CB 4.27Å; I112-V136 HydrophobicContact CG2-CG1 3.56Å; T113-V136 WeakPolarHBondContact OG1-CG1 3.21Å; H132-V136 PolarHBondContact O-N 3.32Å; A133-V136 PolarHBondContact O-N 3.12Å; E134-V136 VanDerWaalsContact C-N 3.28Å; E134-V136 PolarHBondContact O-N 3.09Å; V136-A140 HydrophobicContact CG1-CB 3.93Å; V136-A140 WeakPolarHBondContact O-CB 3.39Å; V136-A140 PolarHBondContact O-N 3.12Å
137	L	94.5	Very high	92.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-42.6	-168.5	-61.3	-179	0	0	0	114	I116 L125 A133 D139 A140 I141 I152 L165	I116-L137 HydrophobicContact CD1-CD2 4.22Å; L125-L137 HydrophobicContact CD2-CD2 4.24Å; A133-L137 HydrophobicContact CB-CD1 3.75Å; A133-L137 HydrophobicContact CB-CG 4.34Å; A133-L137 WeakPolarHBondContact O-CB 3.43Å; A133-L137 WeakPolarHBondContact O-CG 3.41Å; A133-L137 PolarHBondContact O-N 3.02Å; L137-D139 PolarHBondContact O-N 3.13Å; L137-D139 VanDerWaalsContact O-N 3.16Å; L137-A140 PolarHBondContact O-N 3.38Å; L137-I141 WeakPolarHBondContact O-CG1 3.37Å; L137-I141 PolarHBondContact O-N 2.92Å; L137-I141 VanDerWaalsContact O-N 3.14Å; L137-I152 HydrophobicContact CD1-CB 4.36Å; L137-I152 HydrophobicContact CD1-CG2 3.51Å; L137-L165 HydrophobicContact CB-CD1 4.05Å
138	P	95.1	Very high	92.6	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.032	23%	0.227	C	C	.	.	H	α-helix	trans	-52.7	-41.7	-177.4	-28.3	35.8	0	0	0	113.6	A133 E134 A161 I164 L165 N168	A133-P138 WeakPolarHBondContact O-CD 3.33Å; E134-P138 WeakPolarHBondContact O-CD 3.39Å; E134-P138 WeakPolarHBondContact O-CG 3.5Å; P138-A161 HydrophobicContact CG-CB 3.84Å; P138-I164 HydrophobicContact CB-CB 3.83Å; P138-I164 HydrophobicContact CB-CG2 3.59Å; P138-L165 HydrophobicContact CB-CB 4.41Å; P138-N168 PolarHBondContact O-ND2 3.42Å
139	D	92.9	Very high	93.1	Very high	105 Å²	105	39.4 Å²	39.4	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-91.1	-36.4	178.7	-67.1	-56.6	0	0	0	113.3	L137 I141 K142	L137-D139 PolarHBondContact O-N 3.13Å; L137-D139 VanDerWaalsContact O-N 3.16Å; D139-I141 VanDerWaalsContact C-N 3.28Å; D139-I141 PolarHBondContact O-N 3.25Å; D139-K142 VanDerWaalsContact O-CB 3.26Å; D139-K142 WeakPolarHBondContact O-CB 3.44Å; D139-K142 PolarHBondContact O-N 2.73Å
140	A	93.2	Very high	93.5	Very high	7 Å²	7	38.4 Å²	38.4	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-29.5	-175.5	0	0	0	0	0	113.1	I116 V136 L137 K142 L143	I116-A140 HydrophobicContact CB-CB 4.47Å; I116-A140 HydrophobicContact CD1-CB 3.7Å; I116-A140 HydrophobicContact CG2-CB 4.14Å; V136-A140 HydrophobicContact CG1-CB 3.93Å; V136-A140 WeakPolarHBondContact O-CB 3.39Å; V136-A140 PolarHBondContact O-N 3.12Å; L137-A140 PolarHBondContact O-N 3.38Å; A140-K142 PolarHBondContact O-N 3.04Å; A140-L143 WeakPolarHBondContact O-CB 3.41Å; A140-L143 PolarHBondContact O-N 2.8Å
141	I	94.4	Very high	93.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60.2	-29.3	176.7	-70.7	-66.3	0	0	0	112.1	L125 L137 D139 L143 C144 L147 L150 L165 N168 L169	L125-I141 HydrophobicContact CD2-CD1 3.76Å; L137-I141 WeakPolarHBondContact O-CG1 3.37Å; L137-I141 PolarHBondContact O-N 2.92Å; L137-I141 VanDerWaalsContact O-N 3.14Å; D139-I141 VanDerWaalsContact C-N 3.28Å; D139-I141 PolarHBondContact O-N 3.25Å; I141-L143 PolarHBondContact O-N 3.03Å; I141-L143 VanDerWaalsContact O-N 3.09Å; I141-C144 WeakPolarHBondContact O-CB 3.46Å; I141-C144 PolarHBondContact O-N 3.21Å; I141-L147 HydrophobicContact CD1-CD2 3.79Å; I141-L150 HydrophobicContact CD1-CD1 3.79Å; I141-L150 HydrophobicContact CD1-CD2 4Å; I141-L165 HydrophobicContact CB-CD1 4.45Å; I141-L165 HydrophobicContact CG1-CD1 3.73Å; I141-N168 HydrophobicContact CG2-CB 4.38Å; I141-L169 HydrophobicContact CG2-CD2 4.11Å
142	K	93.4	Very high	94.1	Very high	146 Å²	146	32.9 Å²	32.9	64%	0.635	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-60.4	-22.3	176	-163.7	178.6	-178.9	178.4	0	113.1	D139 A140 C144 N168	D139-K142 VanDerWaalsContact O-CB 3.26Å; D139-K142 WeakPolarHBondContact O-CB 3.44Å; D139-K142 PolarHBondContact O-N 2.73Å; A140-K142 PolarHBondContact O-N 3.04Å; K142-C144 VanDerWaalsContact C-N 3.29Å; K142-N168 HydrophobicContact CB-CB 4.25Å
143	L	93.6	Very high	94.2	Very high	38 Å²	38	30 Å²	30	20%	0.199	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-84.7	0.1	176.8	-53.4	178.9	0	0	0	113.3	I32 S117 A140 I141 P145	I32-L143 HydrophobicContact CD1-CD2 3.78Å; S117-L143 VanDerWaalsContact OG-CD1 3.3Å; S117-L143 WeakPolarHBondContact OG-CD1 3.36Å; A140-L143 WeakPolarHBondContact O-CB 3.41Å; A140-L143 PolarHBondContact O-N 2.8Å; I141-L143 PolarHBondContact O-N 3.03Å; I141-L143 VanDerWaalsContact O-N 3.09Å; L143-P145 WeakPolarHBondContact O-CD 3.34Å
144	C	95.1	Very high	94.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.181	C	C	.	.			trans	-116.4	64.8	-174.9	-53.4	0	0	0	0	111.4	I116 I141 K142 L146 L147	I116-C144 WeakPolarHBondContact CG2-SG 3.37Å; I141-C144 WeakPolarHBondContact O-CB 3.46Å; I141-C144 PolarHBondContact O-N 3.21Å; K142-C144 VanDerWaalsContact C-N 3.29Å; C144-L146 PolarHBondContact O-N 3.48Å; C144-L146 VanDerWaalsContact O-N 3.13Å; C144-L147 HydrophobicContact CB-CB 4.01Å; C144-L147 HydrophobicContact CB-CD1 4.41Å; C144-L147 WeakPolarHBondContact O-CB 3.43Å; C144-L147 PolarHBondContact O-N 2.88Å; C144-L147 VanDerWaalsContact O-N 3.17Å
145	P	95.4	Very high	94.2	Very high	51 Å²	51	30.5 Å²	30.5	33%	0.331	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.7	-174.2	29.3	-36.7	0	0	0	114.2	L143 T172	L143-P145 WeakPolarHBondContact O-CD 3.34Å; P145-T172 PolarHBondContact O-OG1 3.05Å
146	L	96.3	Very high	94.2	Very high	65 Å²	65	32.4 Å²	32.4	34%	0.34	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	11.1	179.2	-57	-175	0	0	0	113	M121 L122 C144 T148	M121-L146 HydrophobicContact CB-CD1 4.29Å; M121-L146 HydrophobicContact CE-CD1 4.33Å; M121-L146 HydrophobicContact CG-CD1 4.36Å; L122-L146 CarbonylContact O-C 3.56Å; C144-L146 PolarHBondContact O-N 3.48Å; C144-L146 VanDerWaalsContact O-N 3.13Å; L146-T148 PolarHBondContact O-N 2.91Å
147	L	96.4	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.			trans	-63.8	124.5	-177.1	-163.2	72.8	0	0	0	110.1	L122 R123 L125 I141 C144 L150 P170 T172 L173	L122-L147 HydrophobicContact CD2-CD1 4.27Å; L122-L147 HydrophobicContact CG-CD1 4.2Å; L122-L147 WeakPolarHBondContact O-CA 3.5Å; L122-L147 PolarHBondContact O-N 2.81Å; R123-L147 WeakPolarHBondContact O-CD1 3.13Å; L125-L147 HydrophobicContact CB-CD1 3.84Å; I141-L147 HydrophobicContact CD1-CD2 3.79Å; C144-L147 HydrophobicContact CB-CB 4.01Å; C144-L147 HydrophobicContact CB-CD1 4.41Å; C144-L147 WeakPolarHBondContact O-CB 3.43Å; C144-L147 PolarHBondContact O-N 2.88Å; C144-L147 VanDerWaalsContact O-N 3.17Å; L147-L150 HydrophobicContact CD2-CB 3.99Å; L147-L150 HydrophobicContact CD2-CD1 4.31Å; L147-P170 HydrophobicContact CB-CG 3.78Å; L147-T172 CarbonylContact O-C 3.34Å; L147-T172 VanDerWaalsContact O-C 3.29Å; L147-T172 PolarHBondContact O-OG1 3.34Å; L147-L173 HydrophobicContact CD2-CD1 4.25Å; L147-L173 HydrophobicContact CG-CD1 4.29Å; L147-L173 WeakPolarHBondContact O-CA 3.46Å; L147-L173 PolarHBondContact O-N 3.28Å
148	T	96.7	Very high	94.3	Very high	16 Å²	16	34.6 Å²	34.6	10%	0.098	19%	0.186	C	C	.	.			trans	-109.3	-26.4	176.9	58.1	0	0	0	0	112	R123 L146 L174 H175	R123-T148 PolarHBondContact O-N 2.72Å; R123-T148 PolarHBondContact O-OG1 3.1Å; L146-T148 PolarHBondContact O-N 2.91Å; T148-L174 PolarHBondContact O-N 3.21Å; T148-H175 PolarHBondContact O-N 3.41Å
149	C	96.2	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.9	178.8	177.1	0	0	0	0	111.4	R123 V124 L125 H175	R123-C149 PolarHBondContact O-N 3.1Å; V124-C149 WeakPolarHBondContact CA-O 3.45Å; V124-C149 HydrophobicContact CB-CB 4.35Å; V124-C149 HydrophobicContact CG1-CB 4.01Å; V124-C149 HydrophobicContact CG2-CB 4.08Å; L125-C149 PolarHBondContact N-O 3.24Å; C149-H175 WeakPolarHBondContact CA-O 3.42Å; C149-H175 HydrophobicContact CB-CB 4.12Å
150	L	95.6	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.8	172.1	-178.9	60.3	0	0	0	110	L125 I141 L147 I152 L169 L173 H175 L176 N177	L125-L150 HydrophobicContact CB-CD1 4.05Å; L125-L150 HydrophobicContact CD2-CD1 3.91Å; L125-L150 HydrophobicContact CG-CD1 4.02Å; L125-L150 WeakPolarHBondContact O-CA 3.24Å; I141-L150 HydrophobicContact CD1-CD1 3.79Å; I141-L150 HydrophobicContact CD1-CD2 4Å; L147-L150 HydrophobicContact CD2-CB 3.99Å; L147-L150 HydrophobicContact CD2-CD1 4.31Å; L150-I152 HydrophobicContact CD1-CG2 3.68Å; L150-I152 HydrophobicContact CD2-CG2 4.39Å; L150-I152 HydrophobicContact CG-CG2 3.94Å; L150-L169 HydrophobicContact CD2-CD2 3.56Å; L150-L173 HydrophobicContact CB-CD1 4.02Å; L150-H175 PolarHBondContact N-O 3.26Å; L150-L176 HydrophobicContact CB-CD1 4.03Å; L150-L176 HydrophobicContact CD2-CD1 3.99Å; L150-L176 HydrophobicContact CG-CD1 4.15Å; L150-L176 WeakPolarHBondContact O-CA 3.45Å; L150-N177 PolarHBondContact O-N 3.17Å
151	N	93.8	Very high	94.7	Very high	25 Å²	25	44 Å²	44	13%	0.134	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	112.9	170.9	-178.1	-16	0	0	0	110.3	L125 R126 C127 G153 N177	L125-N151 PolarHBondContact O-N 3.25Å; R126-N151 HydrophobicContact CB-CB 4.32Å; R126-N151 HydrophobicContact CG-CB 4.04Å; C127-N151 PolarHBondContact N-O 3.36Å; C127-N151 PolarHBondContact SG-O 3.33Å; N151-G153 PolarHBondContact OD1-N 3.11Å; N151-G153 VanDerWaalsContact OD1-N 3.14Å; N151-N177 HydrophobicContact CB-CB 4.1Å; N151-N177 PolarHBondContact ND2-ND2 2.95Å
152	I	94	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.			trans	-127.5	21.7	178.7	59.3	157.5	0	0	0	111.6	C127 L137 L150 S155 L157 L165 N177 V178	C127-I152 VanDerWaalsContact SG-CG2 3.56Å; L137-I152 HydrophobicContact CD1-CB 4.36Å; L137-I152 HydrophobicContact CD1-CG2 3.51Å; L150-I152 HydrophobicContact CD1-CG2 3.68Å; L150-I152 HydrophobicContact CD2-CG2 4.39Å; L150-I152 HydrophobicContact CG-CG2 3.94Å; I152-S155 WeakPolarHBondContact O-CB 3.42Å; I152-S155 PolarHBondContact O-N 2.86Å; I152-S155 VanDerWaalsContact O-N 3.1Å; I152-S155 PolarHBondContact O-OG 2.79Å; I152-L157 HydrophobicContact CD1-CD1 3.81Å; I152-L165 HydrophobicContact CD1-CD2 3.48Å; I152-L165 VanDerWaalsContact CD1-CD2 3.48Å; I152-N177 WeakPolarHBondContact CG1-O 3.42Å; I152-N177 PolarHBondContact N-O 3.11Å; I152-V178 HydrophobicContact CD1-CG1 3.9Å; I152-V178 HydrophobicContact CG1-CG1 3.83Å
153	G	92.2	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	143.4	-178.6	0	0	0	0	0	112.3	L128 A129 N151 S155 N177 E179	L128-G153 WeakPolarHBondContact CD1-O 3.23Å; A129-G153 PolarHBondContact N-O 3.12Å; N151-G153 PolarHBondContact OD1-N 3.11Å; N151-G153 VanDerWaalsContact OD1-N 3.14Å; G153-S155 PolarHBondContact O-N 2.98Å; G153-S155 VanDerWaalsContact O-N 3.1Å; G153-N177 PolarHBondContact N-O 3.34Å; G153-E179 CarbonylContact C-O 3.2Å; G153-E179 WeakPolarHBondContact CA-O 3.46Å
154	F	91.7	Very high	95.2	Very high	95 Å²	95	40.9 Å²	40.9	42%	0.417	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	18.2	-176.3	-56	-73.4	0	0	0	114.7	L128 A129 E179	L128-F154 HydrophobicContact CD1-CD2 4.1Å; A129-F154 WeakPolarHBondContact CA-O 3.3Å; A129-F154 HydrophobicContact CB-CB 4.09Å; F154-E179 HydrophobicContact CD2-CG 4.45Å; F154-E179 HydrophobicContact CE1-CG 4.15Å; F154-E179 VanDerWaalsContact CE2-CD 3.49Å; F154-E179 HydrophobicContact CE2-CG 3.72Å; F154-E179 WeakPolarHBondContact CE2-OE1 3.42Å; F154-E179 HydrophobicContact CZ-CG 3.56Å; F154-E179 WeakPolarHBondContact CZ-OE1 3.49Å; F154-E179 PolarHBondContact N-O 3.16Å
155	S	91.8	Very high	95.3	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.021	21%	0.21	C	C	.	.			trans	-76.2	135.6	171.7	-61.8	0	0	0	0	110.3	I152 G153 L157	I152-S155 WeakPolarHBondContact O-CB 3.42Å; I152-S155 PolarHBondContact O-N 2.86Å; I152-S155 VanDerWaalsContact O-N 3.1Å; I152-S155 PolarHBondContact O-OG 2.79Å; G153-S155 PolarHBondContact O-N 2.98Å; G153-S155 VanDerWaalsContact O-N 3.1Å; S155-L157 PolarHBondContact O-N 3.31Å
156	T	92.4	Very high	95.4	Very high	117 Å²	117	38.5 Å²	38.5	72%	0.718	19%	0.194	S	C	*	.			trans	-81.6	117.6	172.1	-47.5	0	0	0	0	108.9
157	L	95.2	Very high	95.5	Very high	9 Å²	9	39 Å²	39	5%	0.047	20%	0.197	C	C	.	.			trans	-131.4	140	177.2	-61.5	177.6	0	0	0	108.1	A133 E134 I152 S155 A161 T162 L165 V181 T183	A133-L157 HydrophobicContact CB-CD2 4Å; E134-L157 VanDerWaalsContact CA-CD2 3.45Å; E134-L157 HydrophobicContact CB-CD2 3.94Å; I152-L157 HydrophobicContact CD1-CD1 3.81Å; S155-L157 PolarHBondContact O-N 3.31Å; L157-A161 HydrophobicContact CB-CB 4.32Å; L157-A161 HydrophobicContact CD2-CB 4.41Å; L157-T162 HydrophobicContact CB-CG2 3.83Å; L157-T162 HydrophobicContact CD1-CG2 3.75Å; L157-T162 HydrophobicContact CG-CG2 4.45Å; L157-L165 HydrophobicContact CD1-CD2 4.09Å; L157-V181 HydrophobicContact CB-CG1 4.46Å; L157-V181 HydrophobicContact CD1-CG1 4.32Å; L157-T183 WeakPolarHBondContact O-CG2 3.46Å; L157-T183 PolarHBondContact O-OG1 3.3Å
158	S	95.5	Very high	95.6	Very high	42 Å²	42	40.5 Å²	40.5	29%	0.294	21%	0.205	S	C	.	.			trans	-73.8	161	165	59.4	0	0	0	0	111	E134 R160 A161 T162	E134-S158 WeakPolarHBondContact OE1-CB 3.48Å; E134-S158 PolarHBondContact OE1-OG 3.36Å; S158-R160 VanDerWaalsContact C-N 3.26Å; S158-R160 PolarHBondContact O-N 2.91Å; S158-A161 WeakPolarHBondContact O-CA 3.33Å; S158-A161 WeakPolarHBondContact O-CB 3.44Å; S158-A161 PolarHBondContact O-N 2.89Å; S158-A161 WeakPolarHBondContact OG-CB 3.4Å; S158-A161 PolarHBondContact OG-N 3.18Å; S158-T162 PolarHBondContact O-N 2.93Å; S158-T162 PolarHBondContact O-OG1 2.93Å; S158-T162 VanDerWaalsContact O-OG1 3.09Å
159	E	95.9	Very high	95.6	Very high	116 Å²	116	39.8 Å²	39.8	54%	0.542	20%	0.201	S	C	.	.	H	α-helix	trans	-50.3	-48.7	174	-172.3	-163	148.3	0	0	111.2	A161 T162 T163	E159-A161 VanDerWaalsContact C-N 3.3Å; E159-A161 PolarHBondContact O-N 2.71Å; E159-T162 VanDerWaalsContact CA-OG1 3.3Å; E159-T162 WeakPolarHBondContact CA-OG1 3.37Å; E159-T162 PolarHBondContact O-N 3.14Å; E159-T162 VanDerWaalsContact O-N 3.17Å; E159-T162 PolarHBondContact O-OG1 2.89Å; E159-T163 PolarHBondContact O-N 2.94Å; E159-T163 PolarHBondContact O-OG1 2.79Å
160	R	96.2	Very high	95.7	Very high	194 Å²	194	40.2 Å²	40.2	73%	0.732	20%	0.203	S	C	*	.	H	α-helix	trans	-55.2	-44.9	175.5	-179.9	-178.5	176.3	112.6	0.9	112.1	S158 T163 I164	S158-R160 VanDerWaalsContact C-N 3.26Å; S158-R160 PolarHBondContact O-N 2.91Å; R160-T163 PolarHBondContact O-N 3.27Å; R160-I164 HydrophobicContact CG-CD1 4.05Å; R160-I164 WeakPolarHBondContact O-CG1 3.23Å; R160-I164 PolarHBondContact O-N 3.28Å
161	A	96.6	Very high	95.7	Very high	6 Å²	6	44 Å²	44	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-41.3	-180	0	0	0	0	0	111.8	E134 P138 L157 S158 E159 T163 I164 L165	E134-A161 HydrophobicContact CG-CB 3.66Å; P138-A161 HydrophobicContact CG-CB 3.84Å; L157-A161 HydrophobicContact CB-CB 4.32Å; L157-A161 HydrophobicContact CD2-CB 4.41Å; S158-A161 WeakPolarHBondContact O-CA 3.33Å; S158-A161 WeakPolarHBondContact O-CB 3.44Å; S158-A161 PolarHBondContact O-N 2.89Å; S158-A161 WeakPolarHBondContact OG-CB 3.4Å; S158-A161 PolarHBondContact OG-N 3.18Å; E159-A161 VanDerWaalsContact C-N 3.3Å; E159-A161 PolarHBondContact O-N 2.71Å; A161-T163 VanDerWaalsContact C-N 3.35Å; A161-I164 PolarHBondContact O-N 3.26Å; A161-L165 VanDerWaalsContact O-CB 3.24Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 PolarHBondContact O-N 2.9Å
162	T	96.9	Very high	95.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-38.5	173.5	35.4	0	0	0	0	112.6	L157 S158 E159 L165 V166 V181 T183 I184	L157-T162 HydrophobicContact CB-CG2 3.83Å; L157-T162 HydrophobicContact CD1-CG2 3.75Å; L157-T162 HydrophobicContact CG-CG2 4.45Å; S158-T162 PolarHBondContact O-N 2.93Å; S158-T162 PolarHBondContact O-OG1 2.93Å; S158-T162 VanDerWaalsContact O-OG1 3.09Å; E159-T162 VanDerWaalsContact CA-OG1 3.3Å; E159-T162 WeakPolarHBondContact CA-OG1 3.37Å; E159-T162 PolarHBondContact O-N 3.14Å; E159-T162 VanDerWaalsContact O-N 3.17Å; E159-T162 PolarHBondContact O-OG1 2.89Å; T162-L165 PolarHBondContact O-N 2.7Å; T162-V166 WeakPolarHBondContact O-CG1 3.32Å; T162-V166 PolarHBondContact O-N 3.1Å; T162-V181 HydrophobicContact CG2-CG1 4.08Å; T162-T183 WeakPolarHBondContact CG2-OG1 3.2Å; T162-T183 PolarHBondContact OG1-OG1 2.88Å; T162-I184 HydrophobicContact CG2-CD1 4.09Å
163	T	97.7	Very high	96.1	Very high	64 Å²	64	45.1 Å²	45.1	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-45.2	174.9	-53.5	0	0	0	0	111.7	E159 R160 A161 V166 N167	E159-T163 PolarHBondContact O-N 2.94Å; E159-T163 PolarHBondContact O-OG1 2.79Å; R160-T163 PolarHBondContact O-N 3.27Å; A161-T163 VanDerWaalsContact C-N 3.35Å; T163-V166 WeakPolarHBondContact O-CG1 3.32Å; T163-N167 WeakPolarHBondContact O-CB 3.33Å; T163-N167 PolarHBondContact O-N 3.07Å; T163-N167 PolarHBondContact O-ND2 3.36Å
164	I	97.7	Very high	96.3	Very high	51 Å²	51	47.1 Å²	47.1	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-43.6	177.6	-64.5	165.9	0	0	0	110.1	P138 R160 A161 N167 N168	P138-I164 HydrophobicContact CB-CB 3.83Å; P138-I164 HydrophobicContact CB-CG2 3.59Å; R160-I164 HydrophobicContact CG-CD1 4.05Å; R160-I164 WeakPolarHBondContact O-CG1 3.23Å; R160-I164 PolarHBondContact O-N 3.28Å; A161-I164 PolarHBondContact O-N 3.26Å; I164-N167 PolarHBondContact O-N 3.06Å; I164-N168 PolarHBondContact O-N 3.06Å; I164-N168 PolarHBondContact O-ND2 3.2Å
165	L	97.2	Very high	96.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-54.6	178.8	-178	78.6	0	0	0	111.5	L137 P138 I141 I152 L157 A161 T162 N167 N168 L169	L137-L165 HydrophobicContact CB-CD1 4.05Å; P138-L165 HydrophobicContact CB-CB 4.41Å; I141-L165 HydrophobicContact CB-CD1 4.45Å; I141-L165 HydrophobicContact CG1-CD1 3.73Å; I152-L165 HydrophobicContact CD1-CD2 3.48Å; I152-L165 VanDerWaalsContact CD1-CD2 3.48Å; L157-L165 HydrophobicContact CD1-CD2 4.09Å; A161-L165 VanDerWaalsContact O-CB 3.24Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 PolarHBondContact O-N 2.9Å; T162-L165 PolarHBondContact O-N 2.7Å; L165-N167 VanDerWaalsContact C-N 3.29Å; L165-N167 PolarHBondContact O-N 3.43Å; L165-N168 PolarHBondContact O-N 3.35Å; L165-L169 PolarHBondContact O-N 3.24Å; L165-L169 VanDerWaalsContact O-N 3.14Å
166	V	98	Very high	96.8	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-37.3	-177	71.4	0	0	0	0	111.7	T162 T163 N168 L169 F188 T191 L192 R195	T162-V166 WeakPolarHBondContact O-CG1 3.32Å; T162-V166 PolarHBondContact O-N 3.1Å; T163-V166 WeakPolarHBondContact O-CG1 3.32Å; V166-N168 PolarHBondContact O-N 2.87Å; V166-L169 HydrophobicContact CB-CD1 4.47Å; V166-L169 HydrophobicContact CG2-CD1 4.07Å; V166-L169 PolarHBondContact O-N 2.85Å; V166-F188 HydrophobicContact CB-CD2 3.67Å; V166-F188 HydrophobicContact CB-CE2 3.61Å; V166-F188 HydrophobicContact CB-CG 4.39Å; V166-F188 HydrophobicContact CB-CZ 4.27Å; V166-F188 HydrophobicContact CG1-CD2 4.02Å; V166-F188 HydrophobicContact CG1-CE2 4.43Å; V166-F188 HydrophobicContact CG2-CD2 4.09Å; V166-F188 HydrophobicContact CG2-CE2 4.03Å; V166-F188 HydrophobicContact CG2-CG 4.39Å; V166-F188 HydrophobicContact CG2-CZ 4.22Å; V166-T191 HydrophobicContact CB-CG2 4.42Å; V166-T191 HydrophobicContact CG1-CG2 3.78Å; V166-T191 HydrophobicContact CG2-CG2 3.98Å; V166-L192 HydrophobicContact CG2-CB 3.95Å; V166-R195 VanDerWaalsContact O-CD 3.23Å; V166-R195 WeakPolarHBondContact O-CD 3.33Å; V166-R195 PolarHBondContact O-NE 3.08Å
167	N	98	Very high	97	Very high	75 Å²	75	38.1 Å²	38.1	40%	0.401	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-22.8	175.5	-81.5	-50.2	0	0	0	113.7	T163 I164 L165 R195	T163-N167 WeakPolarHBondContact O-CB 3.33Å; T163-N167 PolarHBondContact O-N 3.07Å; T163-N167 PolarHBondContact O-ND2 3.36Å; I164-N167 PolarHBondContact O-N 3.06Å; L165-N167 VanDerWaalsContact C-N 3.29Å; L165-N167 PolarHBondContact O-N 3.43Å; N167-R195 PolarHBondContact O-NE 2.69Å; N167-R195 VanDerWaalsContact O-NE 3.12Å; N167-R195 PolarHBondContact O-NH1 3.31Å; N167-R195 PolarHBondContact O-NH2 3.33Å
168	N	97.5	Very high	97	Very high	33 Å²	33	37.7 Å²	37.7	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-98.4	-7.5	178.2	-73.3	-35.1	0	0	0	113.5	P138 I141 K142 I164 L165 V166	P138-N168 PolarHBondContact O-ND2 3.42Å; I141-N168 HydrophobicContact CG2-CB 4.38Å; K142-N168 HydrophobicContact CB-CB 4.25Å; I164-N168 PolarHBondContact O-N 3.06Å; I164-N168 PolarHBondContact O-ND2 3.2Å; L165-N168 PolarHBondContact O-N 3.35Å; V166-N168 PolarHBondContact O-N 2.87Å
169	L	98	Very high	97	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.19	C	C	.	.			trans	-59.7	135	175.8	-68	174.9	0	0	0	110.6	I141 L150 L165 V166 L173 L176 L192 R195	I141-L169 HydrophobicContact CG2-CD2 4.11Å; L150-L169 HydrophobicContact CD2-CD2 3.56Å; L165-L169 PolarHBondContact O-N 3.24Å; L165-L169 VanDerWaalsContact O-N 3.14Å; V166-L169 HydrophobicContact CB-CD1 4.47Å; V166-L169 HydrophobicContact CG2-CD1 4.07Å; V166-L169 PolarHBondContact O-N 2.85Å; L169-L173 HydrophobicContact CB-CD2 4.48Å; L169-L173 HydrophobicContact CD1-CD2 4.05Å; L169-L173 HydrophobicContact CD2-CD2 4.02Å; L169-L173 HydrophobicContact CG-CD2 4.41Å; L169-L176 HydrophobicContact CD1-CD2 4.28Å; L169-L192 HydrophobicContact CD1-CD1 3.76Å; L169-R195 PolarHBondContact O-NE 2.69Å; L169-R195 PolarHBondContact O-NH2 3.5Å
170	P	97	Very high	96.8	Very high	8 Å²	8	32.8 Å²	32.8	5%	0.052	17%	0.172	C	C	.	.			trans	-83.3	152.1	-179.2	33.5	-35.1	0	0	0	111.7	L147 T172 L173	L147-P170 HydrophobicContact CB-CG 3.78Å; P170-T172 PolarHBondContact O-N 3.28Å; P170-L173 WeakPolarHBondContact O-CB 3.43Å; P170-L173 PolarHBondContact O-N 3.25Å
171	P	97.5	Very high	96.8	Very high	79 Å²	79	23.6 Å²	23.6	51%	0.513	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.1	177.1	29	-36.5	0	0	0	114.3	L173 R195	P171-L173 VanDerWaalsContact C-N 3.27Å; P171-R195 VanDerWaalsContact CA-O 3.23Å; P171-R195 WeakPolarHBondContact CA-O 3.27Å; P171-R195 WeakPolarHBondContact CB-O 3.24Å
172	T	97.1	Very high	96.6	Very high	49 Å²	49	27.9 Å²	27.9	30%	0.301	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.4	172.6	54.1	0	0	0	0	113.2	P145 L147 P170 L174	P145-T172 PolarHBondContact O-OG1 3.05Å; L147-T172 CarbonylContact O-C 3.34Å; L147-T172 VanDerWaalsContact O-C 3.29Å; L147-T172 PolarHBondContact O-OG1 3.34Å; P170-T172 PolarHBondContact O-N 3.28Å; T172-L174 PolarHBondContact O-N 3.43Å
173	L	97.6	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.			trans	-66.1	124.6	-176.4	-164.2	75.4	0	0	0	110.6	L147 L150 L169 P170 P171 L176 C196 L199	L147-L173 HydrophobicContact CD2-CD1 4.25Å; L147-L173 HydrophobicContact CG-CD1 4.29Å; L147-L173 WeakPolarHBondContact O-CA 3.46Å; L147-L173 PolarHBondContact O-N 3.28Å; L150-L173 HydrophobicContact CB-CD1 4.02Å; L169-L173 HydrophobicContact CB-CD2 4.48Å; L169-L173 HydrophobicContact CD1-CD2 4.05Å; L169-L173 HydrophobicContact CD2-CD2 4.02Å; L169-L173 HydrophobicContact CG-CD2 4.41Å; P170-L173 WeakPolarHBondContact O-CB 3.43Å; P170-L173 PolarHBondContact O-N 3.25Å; P171-L173 VanDerWaalsContact C-N 3.27Å; L173-L176 HydrophobicContact CD2-CB 4.09Å; L173-L176 HydrophobicContact CD2-CD1 4.38Å; L173-C196 HydrophobicContact CB-CB 4.4Å; L173-L199 HydrophobicContact CB-CD1 4.49Å; L173-L199 HydrophobicContact CD2-CD1 4.06Å; L173-L199 HydrophobicContact CG-CD1 4.05Å
174	L	97.2	Very high	96.5	Very high	42 Å²	42	26.1 Å²	26.1	22%	0.22	15%	0.149	C	C	.	.			trans	-108.5	-34.7	177.5	-56.3	-179.4	0	0	0	111.1	T148 T172 K198 L199 E200 A201	T148-L174 PolarHBondContact O-N 3.21Å; T172-L174 PolarHBondContact O-N 3.43Å; L174-K198 HydrophobicContact CD2-CB 3.98Å; L174-K198 VanDerWaalsContact CD2-O 3.27Å; L174-K198 WeakPolarHBondContact CD2-O 3.39Å; L174-L199 VanDerWaalsContact C-CD1 3.48Å; L174-L199 WeakPolarHBondContact O-CD1 3.46Å; L174-L199 WeakPolarHBondContact O-CG 3.27Å; L174-E200 PolarHBondContact O-N 3.45Å; L174-A201 PolarHBondContact O-N 3.23Å
175	H	97.5	Very high	96.4	Very high	13 Å²	13	27.4 Å²	27.4	6%	0.06	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.1	-174.3	-61	156.2	0	0	0	111.8	T148 C149 L150 A201 R227 C501 T502	T148-H175 PolarHBondContact O-N 3.41Å; C149-H175 WeakPolarHBondContact CA-O 3.42Å; C149-H175 HydrophobicContact CB-CB 4.12Å; L150-H175 PolarHBondContact N-O 3.26Å; H175-A201 WeakPolarHBondContact CA-O 3.35Å; H175-A201 WeakPolarHBondContact CD2-CB 3.24Å; H175-R227 PolarHBondContact CE1-NH2 3.23Å; H175-R227 PolarHBondContact NE2-NH2 2.98Å; H175-C501 HydrophobicContact CB-CB 3.64Å; H175-T502 PolarHBondContact CE1-O 3.22Å; H175-T502 VanDerWaalsContact CE1-O 3.31Å; H175-T502 PolarHBondContact CE1-OG1 2.91Å; H175-T502 PolarHBondContact ND1-N 3.31Å; H175-T502 PolarHBondContact ND1-O 3.16Å
176	L	97.1	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.4	176.7	-179.7	61.1	0	0	0	111	L150 L169 L173 V178 F188 L192 L199 A201 L202 N203	L150-L176 HydrophobicContact CB-CD1 4.03Å; L150-L176 HydrophobicContact CD2-CD1 3.99Å; L150-L176 HydrophobicContact CG-CD1 4.15Å; L150-L176 WeakPolarHBondContact O-CA 3.45Å; L169-L176 HydrophobicContact CD1-CD2 4.28Å; L173-L176 HydrophobicContact CD2-CB 4.09Å; L173-L176 HydrophobicContact CD2-CD1 4.38Å; L176-V178 HydrophobicContact CD1-CG1 3.78Å; L176-V178 HydrophobicContact CD2-CG1 4.19Å; L176-V178 HydrophobicContact CG-CG1 3.9Å; L176-F188 HydrophobicContact CD2-CE1 4.29Å; L176-F188 HydrophobicContact CD2-CZ 4.23Å; L176-L192 HydrophobicContact CD2-CD1 3.62Å; L176-L192 HydrophobicContact CD2-CD2 3.77Å; L176-L192 HydrophobicContact CD2-CG 4.35Å; L176-L199 HydrophobicContact CB-CD1 4.18Å; L176-L199 HydrophobicContact CB-CD2 4.48Å; L176-A201 PolarHBondContact N-O 3.3Å; L176-L202 HydrophobicContact CB-CD1 4.13Å; L176-L202 HydrophobicContact CD2-CD1 4.1Å; L176-L202 HydrophobicContact CG-CD1 4.25Å; L176-L202 WeakPolarHBondContact O-CA 3.47Å; L176-N203 PolarHBondContact O-N 3.3Å
177	N	95.5	Very high	96.4	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.7	168.3	-177.9	-5	0	0	0	110.7	L150 N151 I152 G153 E179 N203	L150-N177 PolarHBondContact O-N 3.17Å; N151-N177 HydrophobicContact CB-CB 4.1Å; N151-N177 PolarHBondContact ND2-ND2 2.95Å; I152-N177 WeakPolarHBondContact CG1-O 3.42Å; I152-N177 PolarHBondContact N-O 3.11Å; G153-N177 PolarHBondContact N-O 3.34Å; N177-E179 WeakPolarHBondContact OD1-CB 3.35Å; N177-E179 PolarHBondContact OD1-N 3.12Å; N177-N203 HydrophobicContact CB-CB 4.04Å; N177-N203 PolarHBondContact ND2-ND2 3.26Å; N177-N203 PolarHBondContact OD1-ND2 2.89Å
178	V	95.9	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.			trans	-126.3	25.5	175.4	-63.1	0	0	0	0	111.5	I152 L176 G180 V181 I184 F188 N203 L204 C207	I152-V178 HydrophobicContact CD1-CG1 3.9Å; I152-V178 HydrophobicContact CG1-CG1 3.83Å; L176-V178 HydrophobicContact CD1-CG1 3.78Å; L176-V178 HydrophobicContact CD2-CG1 4.19Å; L176-V178 HydrophobicContact CG-CG1 3.9Å; V178-G180 PolarHBondContact O-N 3.27Å; V178-V181 HydrophobicContact CB-CB 4.38Å; V178-V181 HydrophobicContact CB-CG2 4.16Å; V178-V181 VanDerWaalsContact O-CB 3.27Å; V178-V181 WeakPolarHBondContact O-CB 3.37Å; V178-V181 VanDerWaalsContact O-CG2 3.24Å; V178-V181 WeakPolarHBondContact O-CG2 3.5Å; V178-V181 PolarHBondContact O-N 3.25Å; V178-V181 VanDerWaalsContact O-N 3.07Å; V178-I184 HydrophobicContact CB-CD1 4.09Å; V178-I184 HydrophobicContact CB-CG1 4.18Å; V178-I184 HydrophobicContact CG1-CD1 4.34Å; V178-I184 HydrophobicContact CG2-CD1 4.08Å; V178-I184 HydrophobicContact CG2-CG1 3.97Å; V178-F188 HydrophobicContact CG1-CZ 4.32Å; V178-N203 WeakPolarHBondContact CG2-O 3.45Å; V178-N203 PolarHBondContact N-O 3.13Å; V178-N203 VanDerWaalsContact N-O 3.1Å; V178-L204 HydrophobicContact CG2-CD2 3.61Å; V178-C207 PolarHBondContact O-SG 3.21Å
179	E	94.2	Very high	96.5	Very high	41 Å²	41	30.9 Å²	30.9	19%	0.192	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	134.2	177.3	171.2	175.8	-177.4	0	0	112.1	G153 F154 N177 V181 N203 S205 H206	G153-E179 CarbonylContact C-O 3.2Å; G153-E179 WeakPolarHBondContact CA-O 3.46Å; F154-E179 HydrophobicContact CD2-CG 4.45Å; F154-E179 HydrophobicContact CE1-CG 4.15Å; F154-E179 VanDerWaalsContact CE2-CD 3.49Å; F154-E179 HydrophobicContact CE2-CG 3.72Å; F154-E179 WeakPolarHBondContact CE2-OE1 3.42Å; F154-E179 HydrophobicContact CZ-CG 3.56Å; F154-E179 WeakPolarHBondContact CZ-OE1 3.49Å; F154-E179 PolarHBondContact N-O 3.16Å; N177-E179 WeakPolarHBondContact OD1-CB 3.35Å; N177-E179 PolarHBondContact OD1-N 3.12Å; E179-V181 PolarHBondContact O-N 3.46Å; E179-V181 VanDerWaalsContact O-N 3.08Å; E179-N203 PolarHBondContact OE2-ND2 3.07Å; E179-N203 VanDerWaalsContact OE2-ND2 3.11Å; E179-S205 CarbonylContact C-O 3.32Å; E179-S205 VanDerWaalsContact CA-O 3.24Å; E179-S205 WeakPolarHBondContact CA-O 3.49Å; E179-S205 VanDerWaalsContact CG-OG 3.24Å; E179-S205 WeakPolarHBondContact CG-OG 3.23Å; E179-H206 IonicContact OE1-CD2 2.81Å
180	G	93.6	Very high	96.5	Very high	15 Å²	15	34 Å²	34	16%	0.155	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	12.4	178	0	0	0	0	0	115.7	V178 N182 S205	V178-G180 PolarHBondContact O-N 3.27Å; G180-N182 PolarHBondContact O-N 2.8Å; G180-N182 PolarHBondContact O-OD1 2.83Å; G180-S205 PolarHBondContact N-O 3.06Å
181	V	94.6	Very high	96.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	20%	0.197	C	C	.	.			trans	-83	101.8	170.6	-178.7	0	0	0	0	108	L157 T162 V178 E179 T183 I184	L157-V181 HydrophobicContact CB-CG1 4.46Å; L157-V181 HydrophobicContact CD1-CG1 4.32Å; T162-V181 HydrophobicContact CG2-CG1 4.08Å; V178-V181 HydrophobicContact CB-CB 4.38Å; V178-V181 HydrophobicContact CB-CG2 4.16Å; V178-V181 VanDerWaalsContact O-CB 3.27Å; V178-V181 WeakPolarHBondContact O-CB 3.37Å; V178-V181 VanDerWaalsContact O-CG2 3.24Å; V178-V181 WeakPolarHBondContact O-CG2 3.5Å; V178-V181 PolarHBondContact O-N 3.25Å; V178-V181 VanDerWaalsContact O-N 3.07Å; E179-V181 PolarHBondContact O-N 3.46Å; E179-V181 VanDerWaalsContact O-N 3.08Å; V181-T183 PolarHBondContact O-N 3.43Å; V181-T183 VanDerWaalsContact O-N 3.14Å; V181-I184 HydrophobicContact CB-CD1 4.3Å; V181-I184 HydrophobicContact CB-CG1 3.77Å; V181-I184 HydrophobicContact CG1-CD1 3.98Å; V181-I184 HydrophobicContact CG1-CG1 3.81Å; V181-I184 VanDerWaalsContact O-CG1 3.27Å; V181-I184 WeakPolarHBondContact O-CG1 3.37Å; V181-I184 PolarHBondContact O-N 3.36Å
182	N	93.3	Very high	96.6	Very high	95 Å²	95	31.4 Å²	31.4	51%	0.508	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.4	-170.9	-63.5	-13.5	0	0	0	114.8	G180 V208 S209	G180-N182 PolarHBondContact O-N 2.8Å; G180-N182 PolarHBondContact O-OD1 2.83Å; N182-V208 HydrophobicContact CB-CG2 4.09Å; N182-S209 PolarHBondContact O-OG 3.39Å
183	T	95.6	Very high	96.7	Very high	30 Å²	30	29.9 Å²	29.9	18%	0.184	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	10.7	179.4	60.5	0	0	0	0	113.4	L157 T162 V181 E185	L157-T183 WeakPolarHBondContact O-CG2 3.46Å; L157-T183 PolarHBondContact O-OG1 3.3Å; T162-T183 WeakPolarHBondContact CG2-OG1 3.2Å; T162-T183 PolarHBondContact OG1-OG1 2.88Å; V181-T183 PolarHBondContact O-N 3.43Å; V181-T183 VanDerWaalsContact O-N 3.14Å; T183-E185 PolarHBondContact O-N 3.42Å; T183-E185 VanDerWaalsContact O-N 3.17Å
184	I	97.2	Very high	96.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.199	C	C	.	.			trans	-78.3	99.4	174.6	-57.9	-63	0	0	0	109.2	T162 V178 V181 F188 I189 L204 C207 S209 V210	T162-I184 HydrophobicContact CG2-CD1 4.09Å; V178-I184 HydrophobicContact CB-CD1 4.09Å; V178-I184 HydrophobicContact CB-CG1 4.18Å; V178-I184 HydrophobicContact CG1-CD1 4.34Å; V178-I184 HydrophobicContact CG2-CD1 4.08Å; V178-I184 HydrophobicContact CG2-CG1 3.97Å; V181-I184 HydrophobicContact CB-CD1 4.3Å; V181-I184 HydrophobicContact CB-CG1 3.77Å; V181-I184 HydrophobicContact CG1-CD1 3.98Å; V181-I184 HydrophobicContact CG1-CG1 3.81Å; V181-I184 VanDerWaalsContact O-CG1 3.27Å; V181-I184 WeakPolarHBondContact O-CG1 3.37Å; V181-I184 PolarHBondContact O-N 3.36Å; I184-F188 HydrophobicContact CD1-CD1 3.8Å; I184-F188 HydrophobicContact CD1-CD2 3.74Å; I184-F188 HydrophobicContact CD1-CE1 3.72Å; I184-F188 HydrophobicContact CD1-CE2 3.63Å; I184-F188 HydrophobicContact CD1-CG 3.82Å; I184-F188 HydrophobicContact CD1-CZ 3.63Å; I184-F188 HydrophobicContact CG2-CD1 3.75Å; I184-F188 HydrophobicContact CG2-CE1 4.25Å; I184-F188 HydrophobicContact CG2-CG 4.27Å; I184-I189 HydrophobicContact CG2-CD1 4Å; I184-I189 HydrophobicContact CG2-CG1 4.39Å; I184-L204 HydrophobicContact CG2-CD2 3.84Å; I184-C207 HydrophobicContact CB-CB 4.34Å; I184-S209 WeakPolarHBondContact O-CB 3.24Å; I184-V210 HydrophobicContact CG2-CG2 4.18Å
185	E	94.8	Very high	96.7	Very high	78 Å²	78	39 Å²	39	36%	0.364	21%	0.205	S	C	.	.			trans	-112.3	-178.9	-179.5	-62.8	-180	-167.2	0	0	111.8	T183 D187 F188 I189	T183-E185 PolarHBondContact O-N 3.42Å; T183-E185 VanDerWaalsContact O-N 3.17Å; E185-D187 VanDerWaalsContact C-N 3.29Å; E185-D187 PolarHBondContact O-N 3.48Å; E185-F188 WeakPolarHBondContact O-CB 3.35Å; E185-F188 PolarHBondContact O-N 2.96Å; E185-F188 VanDerWaalsContact O-N 3.12Å; E185-I189 PolarHBondContact O-N 3.49Å; E185-I189 VanDerWaalsContact O-N 3.13Å
186	I	97.2	Very high	96.8	Very high	62 Å²	62	38.4 Å²	38.4	32%	0.318	20%	0.202	S	C	.	.	H	α-helix	trans	-59.1	-35.6	-177.8	-170.7	165.7	0	0	0	113.7	F188 I189 T190 T213	I186-F188 VanDerWaalsContact C-N 3.31Å; I186-F188 PolarHBondContact O-N 3.35Å; I186-I189 PolarHBondContact O-N 3.49Å; I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 PolarHBondContact O-N 3.19Å; I186-T190 PolarHBondContact O-OG1 3.17Å; I186-T213 HydrophobicContact CD1-CG2 3.32Å
187	D	97.9	Very high	96.8	Very high	112 Å²	112	41.2 Å²	41.2	60%	0.599	22%	0.221	S	C	*	.	H	α-helix	trans	-67.2	-35.6	179	-76.6	-4.4	0	0	0	111.6	E185 T191	E185-D187 VanDerWaalsContact C-N 3.29Å; E185-D187 PolarHBondContact O-N 3.48Å; D187-T191 WeakPolarHBondContact O-CB 3.41Å; D187-T191 PolarHBondContact O-N 3.45Å; D187-T191 PolarHBondContact O-OG1 2.66Å
188	F	98.3	Very high	96.8	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-50.9	171.7	179.8	-81.3	0	0	0	110.2	V166 L176 V178 I184 E185 I186 T190 T191 L192	V166-F188 HydrophobicContact CB-CD2 3.67Å; V166-F188 HydrophobicContact CB-CE2 3.61Å; V166-F188 HydrophobicContact CB-CG 4.39Å; V166-F188 HydrophobicContact CB-CZ 4.27Å; V166-F188 HydrophobicContact CG1-CD2 4.02Å; V166-F188 HydrophobicContact CG1-CE2 4.43Å; V166-F188 HydrophobicContact CG2-CD2 4.09Å; V166-F188 HydrophobicContact CG2-CE2 4.03Å; V166-F188 HydrophobicContact CG2-CG 4.39Å; V166-F188 HydrophobicContact CG2-CZ 4.22Å; L176-F188 HydrophobicContact CD2-CE1 4.29Å; L176-F188 HydrophobicContact CD2-CZ 4.23Å; V178-F188 HydrophobicContact CG1-CZ 4.32Å; I184-F188 HydrophobicContact CD1-CD1 3.8Å; I184-F188 HydrophobicContact CD1-CD2 3.74Å; I184-F188 HydrophobicContact CD1-CE1 3.72Å; I184-F188 HydrophobicContact CD1-CE2 3.63Å; I184-F188 HydrophobicContact CD1-CG 3.82Å; I184-F188 HydrophobicContact CD1-CZ 3.63Å; I184-F188 HydrophobicContact CG2-CD1 3.75Å; I184-F188 HydrophobicContact CG2-CE1 4.25Å; I184-F188 HydrophobicContact CG2-CG 4.27Å; E185-F188 WeakPolarHBondContact O-CB 3.35Å; E185-F188 PolarHBondContact O-N 2.96Å; E185-F188 VanDerWaalsContact O-N 3.12Å; I186-F188 VanDerWaalsContact C-N 3.31Å; I186-F188 PolarHBondContact O-N 3.35Å; F188-T190 VanDerWaalsContact C-N 3.35Å; F188-T190 PolarHBondContact O-N 2.99Å; F188-T191 PolarHBondContact O-N 3.45Å; F188-L192 HydrophobicContact CE1-CB 4.43Å; F188-L192 HydrophobicContact CE1-CD2 4.19Å; F188-L192 WeakPolarHBondContact O-CB 3.37Å; F188-L192 PolarHBondContact O-N 3.09Å
189	I	98.5	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-43.2	-178.6	-62.5	-62.8	0	0	0	111.2	I184 E185 I186 T191 L192 V193 L204 C214 V217 I218	I184-I189 HydrophobicContact CG2-CD1 4Å; I184-I189 HydrophobicContact CG2-CG1 4.39Å; E185-I189 PolarHBondContact O-N 3.49Å; E185-I189 VanDerWaalsContact O-N 3.13Å; I186-I189 PolarHBondContact O-N 3.49Å; I189-T191 VanDerWaalsContact C-N 3.35Å; I189-T191 PolarHBondContact O-N 2.9Å; I189-L192 WeakPolarHBondContact O-CB 3.4Å; I189-L192 PolarHBondContact O-N 3.16Å; I189-V193 HydrophobicContact CG2-CG2 4.47Å; I189-V193 WeakPolarHBondContact O-CG2 3.41Å; I189-V193 PolarHBondContact O-N 3.48Å; I189-L204 HydrophobicContact CD1-CD1 3.95Å; I189-L204 HydrophobicContact CD1-CD2 3.91Å; I189-C214 HydrophobicContact CG1-CB 4.17Å; I189-C214 HydrophobicContact CG2-CB 4.42Å; I189-V217 HydrophobicContact CG2-CB 4.21Å; I189-V217 HydrophobicContact CG2-CG1 4.05Å; I189-I218 HydrophobicContact CD1-CD1 4.42Å; I189-I218 HydrophobicContact CG2-CD1 4.09Å; I189-I218 HydrophobicContact CG2-CG1 3.6Å
190	T	98.6	Very high	97	Very high	66 Å²	66	47.9 Å²	47.9	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-45.4	177.9	-57.7	0	0	0	0	111.4	I186 F188 L194	I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 PolarHBondContact O-N 3.19Å; I186-T190 PolarHBondContact O-OG1 3.17Å; F188-T190 VanDerWaalsContact C-N 3.35Å; F188-T190 PolarHBondContact O-N 2.99Å; T190-L194 PolarHBondContact O-N 2.93Å
191	T	98.5	Very high	97.2	Very high	32 Å²	32	47.2 Å²	47.2	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-38.7	177.8	-53	0	0	0	0	111.7	V166 D187 F188 I189 L194 R195	V166-T191 HydrophobicContact CB-CG2 4.42Å; V166-T191 HydrophobicContact CG1-CG2 3.78Å; V166-T191 HydrophobicContact CG2-CG2 3.98Å; D187-T191 WeakPolarHBondContact O-CB 3.41Å; D187-T191 PolarHBondContact O-N 3.45Å; D187-T191 PolarHBondContact O-OG1 2.66Å; F188-T191 PolarHBondContact O-N 3.45Å; I189-T191 VanDerWaalsContact C-N 3.35Å; I189-T191 PolarHBondContact O-N 2.9Å; T191-L194 PolarHBondContact O-N 3.47Å; T191-R195 HydrophobicContact CG2-CG 4.3Å; T191-R195 WeakPolarHBondContact O-CB 3.46Å; T191-R195 WeakPolarHBondContact O-CG 3.15Å; T191-R195 PolarHBondContact O-N 2.88Å
192	L	98.7	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-50.2	177.2	174.9	66.5	0	0	0	111	V166 L169 L176 F188 I189 L194 R195 C196 L199 L202	V166-L192 HydrophobicContact CG2-CB 3.95Å; L169-L192 HydrophobicContact CD1-CD1 3.76Å; L176-L192 HydrophobicContact CD2-CD1 3.62Å; L176-L192 HydrophobicContact CD2-CD2 3.77Å; L176-L192 HydrophobicContact CD2-CG 4.35Å; F188-L192 HydrophobicContact CE1-CB 4.43Å; F188-L192 HydrophobicContact CE1-CD2 4.19Å; F188-L192 WeakPolarHBondContact O-CB 3.37Å; F188-L192 PolarHBondContact O-N 3.09Å; I189-L192 WeakPolarHBondContact O-CB 3.4Å; I189-L192 PolarHBondContact O-N 3.16Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.01Å; L192-R195 PolarHBondContact O-N 3.06Å; L192-C196 HydrophobicContact CD1-CB 4.12Å; L192-C196 WeakPolarHBondContact O-CB 3.48Å; L192-C196 PolarHBondContact O-N 2.94Å; L192-L199 HydrophobicContact CD2-CD2 4.2Å; L192-L202 HydrophobicContact CD2-CD1 3.98Å; L192-L202 HydrophobicContact CD2-CD2 4.11Å
193	V	98.4	Very high	97.5	Very high	18 Å²	18	42.8 Å²	42.8	11%	0.109	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-42.6	-179.6	172	0	0	0	0	111.4	I189 R195 V217 G221 L222	I189-V193 HydrophobicContact CG2-CG2 4.47Å; I189-V193 WeakPolarHBondContact O-CG2 3.41Å; I189-V193 PolarHBondContact O-N 3.48Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.75Å; V193-V217 HydrophobicContact CB-CG1 4.37Å; V193-V217 HydrophobicContact CG2-CG1 4.05Å; V193-G221 VanDerWaalsContact CG1-CA 3.48Å; V193-L222 HydrophobicContact CB-CD2 4.31Å; V193-L222 HydrophobicContact CG1-CD2 4.33Å; V193-L222 HydrophobicContact CG2-CD1 4.35Å; V193-L222 HydrophobicContact CG2-CD2 3.91Å; V193-L222 HydrophobicContact CG2-CG 3.9Å
194	L	98.3	Very high	97.6	Very high	145 Å²	145	41.3 Å²	41.3	76%	0.759	21%	0.209	S	C	*	.	H	α-helix	trans	-63.4	-39.3	177.8	-178.4	66.8	0	0	0	112.6	T190 T191 L192	T190-L194 PolarHBondContact O-N 2.93Å; T191-L194 PolarHBondContact O-N 3.47Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.01Å
195	R	97.8	Very high	97.5	Very high	88 Å²	88	41.4 Å²	41.4	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-88.7	-31.8	-173	-68.6	-171	65.2	79.8	7.1	113.8	V166 N167 L169 P171 T191 L192 V193 P197	V166-R195 VanDerWaalsContact O-CD 3.23Å; V166-R195 WeakPolarHBondContact O-CD 3.33Å; V166-R195 PolarHBondContact O-NE 3.08Å; N167-R195 PolarHBondContact O-NE 2.69Å; N167-R195 VanDerWaalsContact O-NE 3.12Å; N167-R195 PolarHBondContact O-NH1 3.31Å; N167-R195 PolarHBondContact O-NH2 3.33Å; L169-R195 PolarHBondContact O-NE 2.69Å; L169-R195 PolarHBondContact O-NH2 3.5Å; P171-R195 VanDerWaalsContact CA-O 3.23Å; P171-R195 WeakPolarHBondContact CA-O 3.27Å; P171-R195 WeakPolarHBondContact CB-O 3.24Å; T191-R195 HydrophobicContact CG2-CG 4.3Å; T191-R195 WeakPolarHBondContact O-CB 3.46Å; T191-R195 WeakPolarHBondContact O-CG 3.15Å; T191-R195 PolarHBondContact O-N 2.88Å; L192-R195 PolarHBondContact O-N 3.06Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.75Å; R195-P197 VanDerWaalsContact O-CD 3.32Å; R195-P197 WeakPolarHBondContact O-CD 3.48Å
196	C	98.1	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.			trans	-122.2	60	-172.8	-51.8	0	0	0	0	111.3	L173 L192 K198 L199	L173-C196 HydrophobicContact CB-CB 4.4Å; L192-C196 HydrophobicContact CD1-CB 4.12Å; L192-C196 WeakPolarHBondContact O-CB 3.48Å; L192-C196 PolarHBondContact O-N 2.94Å; C196-K198 PolarHBondContact O-N 2.93Å; C196-K198 VanDerWaalsContact O-N 3.07Å; C196-L199 HydrophobicContact CB-CD1 4.47Å; C196-L199 WeakPolarHBondContact O-CB 3.45Å; C196-L199 PolarHBondContact O-N 2.84Å; C196-L199 VanDerWaalsContact O-N 3.07Å
197	P	97	Very high	97.4	Very high	60 Å²	60	38.5 Å²	38.5	39%	0.39	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.8	-176.3	29.5	-37.3	0	0	0	113.7	R195	R195-P197 VanDerWaalsContact O-CD 3.32Å; R195-P197 WeakPolarHBondContact O-CD 3.48Å
198	K	96.8	Very high	97.2	Very high	130 Å²	130	36.9 Å²	36.9	57%	0.565	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	10	176.2	-61.6	-172.4	178.3	-174.4	0	113.1	L174 C196 E200	L174-K198 HydrophobicContact CD2-CB 3.98Å; L174-K198 VanDerWaalsContact CD2-O 3.27Å; L174-K198 WeakPolarHBondContact CD2-O 3.39Å; C196-K198 PolarHBondContact O-N 2.93Å; C196-K198 VanDerWaalsContact O-N 3.07Å; K198-E200 PolarHBondContact O-N 3.09Å
199	L	97.8	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.			trans	-61.2	124.4	-179.1	-156.6	77.2	0	0	0	110.3	L173 L174 L176 L192 C196 L202 L222	L173-L199 HydrophobicContact CB-CD1 4.49Å; L173-L199 HydrophobicContact CD2-CD1 4.06Å; L173-L199 HydrophobicContact CG-CD1 4.05Å; L174-L199 VanDerWaalsContact C-CD1 3.48Å; L174-L199 WeakPolarHBondContact O-CD1 3.46Å; L174-L199 WeakPolarHBondContact O-CG 3.27Å; L176-L199 HydrophobicContact CB-CD1 4.18Å; L176-L199 HydrophobicContact CB-CD2 4.48Å; L192-L199 HydrophobicContact CD2-CD2 4.2Å; C196-L199 HydrophobicContact CB-CD1 4.47Å; C196-L199 WeakPolarHBondContact O-CB 3.45Å; C196-L199 PolarHBondContact O-N 2.84Å; C196-L199 VanDerWaalsContact O-N 3.07Å; L199-L202 HydrophobicContact CD2-CB 3.84Å; L199-L202 HydrophobicContact CD2-CD1 4.08Å; L199-L202 HydrophobicContact CD2-CD2 4.18Å; L199-L202 HydrophobicContact CD2-CG 4.24Å; L199-L222 HydrophobicContact CB-CD1 4.37Å; L199-L222 HydrophobicContact CB-CD2 4.03Å; L199-L222 HydrophobicContact CD2-CD1 3.96Å
200	E	96.5	Very high	97	Very high	64 Å²	64	38.7 Å²	38.7	30%	0.299	20%	0.203	S	C	.	.			trans	-103	-25.8	-179.6	-66.9	178.2	-160.1	0	0	111.6	L174 K198 R226 R227	L174-E200 PolarHBondContact O-N 3.45Å; K198-E200 PolarHBondContact O-N 3.09Å; E200-R226 HydrophobicContact CB-CG 4.25Å; E200-R226 WeakPolarHBondContact O-CA 3.24Å; E200-R226 WeakPolarHBondContact O-CB 3.39Å; E200-R226 PolarHBondContact O-N 2.62Å; E200-R227 PolarHBondContact O-N 3.07Å
201	A	97.1	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	131.8	178.4	0	0	0	0	0	113.9	L174 H175 L176 R227 I500	L174-A201 PolarHBondContact O-N 3.23Å; H175-A201 WeakPolarHBondContact CA-O 3.35Å; H175-A201 WeakPolarHBondContact CD2-CB 3.24Å; L176-A201 PolarHBondContact N-O 3.3Å; A201-R227 VanDerWaalsContact CA-O 3.29Å; A201-R227 WeakPolarHBondContact CA-O 3.33Å; A201-R227 HydrophobicContact CB-CB 3.9Å; A201-I500 HydrophobicContact CB-CG2 3.95Å; A201-I500 WeakPolarHBondContact CB-O 3.37Å
202	L	97.7	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.9	-176.1	-178.7	53.4	0	0	0	110.3	L176 L192 L199 L204 I218 L222 L225 R227 L228 N229	L176-L202 HydrophobicContact CB-CD1 4.13Å; L176-L202 HydrophobicContact CD2-CD1 4.1Å; L176-L202 HydrophobicContact CG-CD1 4.25Å; L176-L202 WeakPolarHBondContact O-CA 3.47Å; L192-L202 HydrophobicContact CD2-CD1 3.98Å; L192-L202 HydrophobicContact CD2-CD2 4.11Å; L199-L202 HydrophobicContact CD2-CB 3.84Å; L199-L202 HydrophobicContact CD2-CD1 4.08Å; L199-L202 HydrophobicContact CD2-CD2 4.18Å; L199-L202 HydrophobicContact CD2-CG 4.24Å; L202-L204 HydrophobicContact CD1-CD2 4.13Å; L202-L204 HydrophobicContact CD1-CG 4.05Å; L202-L204 HydrophobicContact CD2-CD1 3.82Å; L202-L204 HydrophobicContact CD2-CG 4.19Å; L202-L204 HydrophobicContact CG-CD1 4.01Å; L202-L204 HydrophobicContact CG-CD2 4.42Å; L202-L204 HydrophobicContact CG-CG 3.84Å; L202-I218 HydrophobicContact CD2-CD1 4.02Å; L202-I218 HydrophobicContact CD2-CG1 4.34Å; L202-L222 HydrophobicContact CD2-CD1 4Å; L202-L225 HydrophobicContact CB-CD1 4.15Å; L202-R227 PolarHBondContact N-O 3.2Å; L202-L228 HydrophobicContact CB-CD1 4.08Å; L202-L228 HydrophobicContact CD2-CD1 4.31Å; L202-L228 HydrophobicContact CG-CD1 4.22Å; L202-N229 PolarHBondContact O-N 3.11Å
203	N	96.8	Very high	96.9	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109.8	172.3	-171.9	5.2	0	0	0	110.3	L176 N177 V178 E179 S205 N229 I500	L176-N203 PolarHBondContact O-N 3.3Å; N177-N203 HydrophobicContact CB-CB 4.04Å; N177-N203 PolarHBondContact ND2-ND2 3.26Å; N177-N203 PolarHBondContact OD1-ND2 2.89Å; V178-N203 WeakPolarHBondContact CG2-O 3.45Å; V178-N203 PolarHBondContact N-O 3.13Å; V178-N203 VanDerWaalsContact N-O 3.1Å; E179-N203 PolarHBondContact OE2-ND2 3.07Å; E179-N203 VanDerWaalsContact OE2-ND2 3.11Å; N203-S205 WeakPolarHBondContact OD1-CB 3.12Å; N203-S205 PolarHBondContact OD1-N 3.07Å; N203-S205 PolarHBondContact OD1-OG 2.82Å; N203-N229 HydrophobicContact CB-CB 4.47Å; N203-N229 WeakPolarHBondContact OD1-CB 3.17Å; N203-N229 PolarHBondContact OD1-ND2 2.95Å; N203-N229 VanDerWaalsContact OD1-ND2 3.09Å; N203-I500 HydrophobicContact CB-CB 4.27Å; N203-I500 HydrophobicContact CB-CD1 3.8Å; N203-I500 HydrophobicContact CB-CG2 3.93Å; N203-I500 VanDerWaalsContact CG-CD1 3.48Å; N203-I500 WeakPolarHBondContact ND2-CD1 3.14Å
204	L	97.1	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.			trans	-114.8	12.2	176.3	-66.7	171.2	0	0	0	111.8	V178 I184 I189 L202 H206 C207 V210 I218 N229 L230 V233	V178-L204 HydrophobicContact CG2-CD2 3.61Å; I184-L204 HydrophobicContact CG2-CD2 3.84Å; I189-L204 HydrophobicContact CD1-CD1 3.95Å; I189-L204 HydrophobicContact CD1-CD2 3.91Å; L202-L204 HydrophobicContact CD1-CD2 4.13Å; L202-L204 HydrophobicContact CD1-CG 4.05Å; L202-L204 HydrophobicContact CD2-CD1 3.82Å; L202-L204 HydrophobicContact CD2-CG 4.19Å; L202-L204 HydrophobicContact CG-CD1 4.01Å; L202-L204 HydrophobicContact CG-CD2 4.42Å; L202-L204 HydrophobicContact CG-CG 3.84Å; L204-H206 PolarHBondContact O-N 2.88Å; L204-C207 WeakPolarHBondContact O-CB 3.47Å; L204-C207 PolarHBondContact O-N 3Å; L204-C207 VanDerWaalsContact O-N 3.08Å; L204-C207 PolarHBondContact O-SG 3.09Å; L204-V210 HydrophobicContact CB-CG2 4.45Å; L204-V210 HydrophobicContact CD1-CG1 4.34Å; L204-V210 HydrophobicContact CD1-CG2 4.43Å; L204-V210 HydrophobicContact CD2-CG2 4.37Å; L204-I218 HydrophobicContact CD1-CD1 3.67Å; L204-N229 CarbonylContact C-O 3.21Å; L204-N229 WeakPolarHBondContact CA-O 3.3Å; L204-N229 PolarHBondContact N-O 3.47Å; L204-L230 HydrophobicContact CB-CD2 4Å; L204-L230 HydrophobicContact CD1-CD2 4.06Å; L204-V233 VanDerWaalsContact O-CG2 3.3Å; L204-V233 WeakPolarHBondContact O-CG2 3.34Å
205	S	94.7	Very high	96.9	Very high	2 Å²	2	33 Å²	33	1%	0.014	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	142.9	-179.7	49.3	0	0	0	0	111.7	E179 G180 N203 C207 N229 D231	E179-S205 CarbonylContact C-O 3.32Å; E179-S205 VanDerWaalsContact CA-O 3.24Å; E179-S205 WeakPolarHBondContact CA-O 3.49Å; E179-S205 VanDerWaalsContact CG-OG 3.24Å; E179-S205 WeakPolarHBondContact CG-OG 3.23Å; G180-S205 PolarHBondContact N-O 3.06Å; N203-S205 WeakPolarHBondContact OD1-CB 3.12Å; N203-S205 PolarHBondContact OD1-N 3.07Å; N203-S205 PolarHBondContact OD1-OG 2.82Å; S205-C207 PolarHBondContact O-N 3.08Å; S205-N229 WeakPolarHBondContact CB-ND2 3.27Å; S205-N229 PolarHBondContact N-O 3.22Å; S205-N229 PolarHBondContact OG-ND2 2.79Å; S205-D231 CarbonylContact C-O 3.58Å; S205-D231 WeakPolarHBondContact CA-O 3.41Å; S205-D231 WeakPolarHBondContact CB-O 3.13Å
206	H	94.3	Very high	96.9	Very high	79 Å²	79	34.4 Å²	34.4	37%	0.366	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	16	-177.3	-51.7	-61.2	0	0	0	115.4	E179 L204 V208 D231	E179-H206 IonicContact OE1-CD2 2.81Å; L204-H206 PolarHBondContact O-N 2.88Å; H206-V208 PolarHBondContact O-N 3.06Å; H206-D231 PolarHBondContact N-O 2.97Å
207	C	95.8	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.			trans	-82.2	94.7	170.9	-63.3	0	0	0	0	109.4	V178 I184 L204 S205 S209 V210	V178-C207 PolarHBondContact O-SG 3.21Å; I184-C207 HydrophobicContact CB-CB 4.34Å; L204-C207 WeakPolarHBondContact O-CB 3.47Å; L204-C207 PolarHBondContact O-N 3Å; L204-C207 VanDerWaalsContact O-N 3.08Å; L204-C207 PolarHBondContact O-SG 3.09Å; S205-C207 PolarHBondContact O-N 3.08Å; C207-S209 PolarHBondContact O-N 3.43Å; C207-V210 HydrophobicContact CB-CB 4.44Å; C207-V210 HydrophobicContact CB-CG2 3.61Å; C207-V210 WeakPolarHBondContact O-CB 3.43Å; C207-V210 PolarHBondContact O-N 3.44Å; C207-V210 VanDerWaalsContact O-N 3.09Å
208	V	94.3	Very high	97	Very high	78 Å²	78	32.9 Å²	32.9	47%	0.473	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.3	-168.2	-62.2	0	0	0	0	116	N182 H206 W235	N182-V208 HydrophobicContact CB-CG2 4.09Å; H206-V208 PolarHBondContact O-N 3.06Å; V208-W235 PolarHBondContact O-NE1 3.46Å
209	S	95.1	Very high	97.1	Very high	48 Å²	48	27.2 Å²	27.2	34%	0.336	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.6	-179.5	-57.2	0	0	0	0	113.6	N182 I184 C207	N182-S209 PolarHBondContact O-OG 3.39Å; I184-S209 WeakPolarHBondContact O-CB 3.24Å; C207-S209 PolarHBondContact O-N 3.43Å
210	V	97.4	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.			trans	-72.8	133.4	176.5	176	0	0	0	0	109.3	I184 L204 C207 C214 L230 V233 I236	I184-V210 HydrophobicContact CG2-CG2 4.18Å; L204-V210 HydrophobicContact CB-CG2 4.45Å; L204-V210 HydrophobicContact CD1-CG1 4.34Å; L204-V210 HydrophobicContact CD1-CG2 4.43Å; L204-V210 HydrophobicContact CD2-CG2 4.37Å; C207-V210 HydrophobicContact CB-CB 4.44Å; C207-V210 HydrophobicContact CB-CG2 3.61Å; C207-V210 WeakPolarHBondContact O-CB 3.43Å; C207-V210 PolarHBondContact O-N 3.44Å; C207-V210 VanDerWaalsContact O-N 3.09Å; V210-C214 HydrophobicContact CG1-CB 3.95Å; V210-L230 HydrophobicContact CG1-CD2 4Å; V210-V233 HydrophobicContact CB-CG1 3.7Å; V210-V233 HydrophobicContact CB-CG2 4.47Å; V210-V233 HydrophobicContact CG1-CG1 3.89Å; V210-V233 WeakPolarHBondContact O-CG1 3.41Å; V210-I236 HydrophobicContact CG1-CD1 4.41Å
211	C	96.9	Very high	97.1	Very high	40 Å²	40	28.6 Å²	28.6	27%	0.27	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-142.1	178.8	-175.8	67.8	0	0	0	0	111.9	T213 C214 L215 W235 I236	C211-T213 PolarHBondContact O-N 3.27Å; C211-T213 VanDerWaalsContact O-N 3.1Å; C211-C214 WeakPolarHBondContact O-CA 3.31Å; C211-C214 VanDerWaalsContact O-CB 3.23Å; C211-C214 WeakPolarHBondContact O-CB 3.23Å; C211-C214 PolarHBondContact O-N 2.75Å; C211-L215 PolarHBondContact O-N 3.15Å; C211-L215 VanDerWaalsContact O-N 3.16Å; C211-W235 WeakPolarHBondContact CA-O 3.43Å; C211-W235 HydrophobicContact CB-CB 3.92Å; C211-I236 VanDerWaalsContact C-CD1 3.44Å
212	D	98.6	Very high	97.2	Very high	28 Å²	28	28.7 Å²	28.7	15%	0.15	17%	0.168	C	C	.	.	H	α-helix	trans	-50.8	-35.9	177.8	-69.4	-17.8	0	0	0	114.3	C214 L215 K216 W235 I236 T237 G240	D212-C214 VanDerWaalsContact C-N 3.31Å; D212-C214 PolarHBondContact O-N 3.38Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.36Å; D212-K216 PolarHBondContact O-N 2.88Å; D212-W235 PolarHBondContact N-O 2.94Å; D212-I236 WeakPolarHBondContact OD1-CA 3.23Å; D212-T237 PolarHBondContact OD1-N 3.42Å; D212-T237 WeakPolarHBondContact OD2-CB 3.47Å; D212-T237 PolarHBondContact OD2-OG1 2.67Å; D212-G240 VanDerWaalsContact CG-N 3.34Å; D212-G240 WeakPolarHBondContact OD1-CA 3.42Å; D212-G240 PolarHBondContact OD1-N 3.13Å; D212-G240 VanDerWaalsContact OD1-N 3.14Å
213	T	98.3	Very high	97.1	Very high	74 Å²	74	31.5 Å²	31.5	45%	0.454	18%	0.181	S	C	.	.	H	α-helix	trans	-68.5	-33.8	178.5	-48.2	0	0	0	0	111.3	I186 C211 K216 V217	I186-T213 HydrophobicContact CD1-CG2 3.32Å; C211-T213 PolarHBondContact O-N 3.27Å; C211-T213 VanDerWaalsContact O-N 3.1Å; T213-K216 WeakPolarHBondContact O-CB 3Å; T213-K216 PolarHBondContact O-N 3.14Å; T213-V217 WeakPolarHBondContact O-CG2 3.47Å; T213-V217 PolarHBondContact O-N 2.79Å
214	C	98.3	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-44.1	172	-62.1	0	0	0	0	110.6	I189 V210 C211 D212 K216 V217 I218	I189-C214 HydrophobicContact CG1-CB 4.17Å; I189-C214 HydrophobicContact CG2-CB 4.42Å; V210-C214 HydrophobicContact CG1-CB 3.95Å; C211-C214 WeakPolarHBondContact O-CA 3.31Å; C211-C214 VanDerWaalsContact O-CB 3.23Å; C211-C214 WeakPolarHBondContact O-CB 3.23Å; C211-C214 PolarHBondContact O-N 2.75Å; D212-C214 VanDerWaalsContact C-N 3.31Å; D212-C214 PolarHBondContact O-N 3.38Å; C214-K216 VanDerWaalsContact C-N 3.32Å; C214-K216 PolarHBondContact O-N 3.42Å; C214-V217 PolarHBondContact O-N 3.43Å; C214-I218 WeakPolarHBondContact O-CG1 3.21Å; C214-I218 PolarHBondContact O-N 3Å
215	L	98.1	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-39.9	176.1	-94.8	-176.6	0	0	0	112.5	C211 D212 V217 I218 S219 L228 L230 I236 G240	C211-L215 PolarHBondContact O-N 3.15Å; C211-L215 VanDerWaalsContact O-N 3.16Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.36Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 3.19Å; L215-I218 PolarHBondContact O-N 2.9Å; L215-S219 VanDerWaalsContact O-CB 3.22Å; L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 2.74Å; L215-S219 PolarHBondContact O-OG 2.71Å; L215-L228 HydrophobicContact CD2-CD2 3.88Å; L215-L230 HydrophobicContact CD1-CD1 3.97Å; L215-L230 HydrophobicContact CD2-CD1 3.61Å; L215-L230 HydrophobicContact CG-CD1 4.06Å; L215-I236 HydrophobicContact CD1-CB 4.4Å; L215-I236 HydrophobicContact CD1-CD1 3.6Å; L215-I236 HydrophobicContact CD1-CG1 4.01Å; L215-I236 HydrophobicContact CD1-CG2 3.54Å; L215-I236 HydrophobicContact CG-CD1 3.95Å; L215-G240 VanDerWaalsContact CD1-C 3.48Å; L215-G240 WeakPolarHBondContact CD1-O 3.44Å
216	K	98.7	Very high	97	Very high	116 Å²	116	37.7 Å²	37.7	50%	0.504	21%	0.209	S	C	.	.	H	α-helix	trans	-56.5	-47.3	173	-174.4	179.7	178.8	176.9	0	112	D212 T213 C214 S219 S220 H243	D212-K216 PolarHBondContact O-N 2.88Å; T213-K216 WeakPolarHBondContact O-CB 3Å; T213-K216 PolarHBondContact O-N 3.14Å; C214-K216 VanDerWaalsContact C-N 3.32Å; C214-K216 PolarHBondContact O-N 3.42Å; K216-S219 PolarHBondContact O-N 3.43Å; K216-S220 WeakPolarHBondContact O-CB 3.38Å; K216-S220 PolarHBondContact O-N 3.22Å; K216-S220 PolarHBondContact O-OG 3.25Å; K216-H243 HydrophobicContact CB-CB 4.49Å
217	V	98.6	Very high	97.1	Very high	29 Å²	29	34.5 Å²	34.5	18%	0.176	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-46.1	179.5	174.8	0	0	0	0	111	I189 V193 T213 C214 L215 S219 S220 G221	I189-V217 HydrophobicContact CG2-CB 4.21Å; I189-V217 HydrophobicContact CG2-CG1 4.05Å; V193-V217 HydrophobicContact CB-CG1 4.37Å; V193-V217 HydrophobicContact CG2-CG1 4.05Å; T213-V217 WeakPolarHBondContact O-CG2 3.47Å; T213-V217 PolarHBondContact O-N 2.79Å; C214-V217 PolarHBondContact O-N 3.43Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 3.19Å; V217-S219 VanDerWaalsContact C-N 3.35Å; V217-S219 PolarHBondContact O-N 2.97Å; V217-S220 PolarHBondContact O-N 3.18Å; V217-S220 PolarHBondContact O-OG 2.76Å; V217-G221 PolarHBondContact O-N 2.96Å
218	I	98.7	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-51.3	175.2	-71.1	165.6	0	0	0	110.5	I189 L202 L204 C214 L215 S220 G221 L222 L225	I189-I218 HydrophobicContact CD1-CD1 4.42Å; I189-I218 HydrophobicContact CG2-CD1 4.09Å; I189-I218 HydrophobicContact CG2-CG1 3.6Å; L202-I218 HydrophobicContact CD2-CD1 4.02Å; L202-I218 HydrophobicContact CD2-CG1 4.34Å; L204-I218 HydrophobicContact CD1-CD1 3.67Å; C214-I218 WeakPolarHBondContact O-CG1 3.21Å; C214-I218 PolarHBondContact O-N 3Å; L215-I218 PolarHBondContact O-N 2.9Å; I218-S220 PolarHBondContact O-N 3.17Å; I218-G221 PolarHBondContact O-N 3.29Å; I218-L222 HydrophobicContact CG1-CD1 4.48Å; I218-L222 HydrophobicContact CG2-CB 4.5Å; I218-L222 HydrophobicContact CG2-CD1 3.88Å; I218-L222 HydrophobicContact CG2-CG 4.35Å; I218-L222 PolarHBondContact O-N 3.31Å; I218-L225 HydrophobicContact CG2-CD2 3.83Å
219	S	98.4	Very high	97.3	Very high	11 Å²	11	31.3 Å²	31.3	8%	0.077	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-30.8	-178	-57.8	0	0	0	0	112.8	L215 K216 V217 H243 L244 S247	L215-S219 VanDerWaalsContact O-CB 3.22Å; L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 2.74Å; L215-S219 PolarHBondContact O-OG 2.71Å; K216-S219 PolarHBondContact O-N 3.43Å; V217-S219 VanDerWaalsContact C-N 3.35Å; V217-S219 PolarHBondContact O-N 2.97Å; S219-H243 VanDerWaalsContact CB-O 3.26Å; S219-H243 WeakPolarHBondContact CB-O 3.35Å; S219-H243 PolarHBondContact OG-O 3.16Å; S219-L244 VanDerWaalsContact OG-CA 3.24Å; S219-L244 WeakPolarHBondContact OG-CA 3.39Å; S219-L244 PolarHBondContact OG-N 2.85Å; S219-S247 WeakPolarHBondContact O-CB 3.33Å
220	S	97.9	Very high	97.4	Very high	82 Å²	82	29.1 Å²	29.1	57%	0.573	16%	0.159	S	C	*	.	H	α-helix	trans	-82.7	-15	-178.4	73	0	0	0	0	115.2	K216 V217 I218 H223	K216-S220 WeakPolarHBondContact O-CB 3.38Å; K216-S220 PolarHBondContact O-N 3.22Å; K216-S220 PolarHBondContact O-OG 3.25Å; V217-S220 PolarHBondContact O-N 3.18Å; V217-S220 PolarHBondContact O-OG 2.76Å; I218-S220 PolarHBondContact O-N 3.17Å; S220-H223 PolarHBondContact O-CE1 3.02Å
221	G	96.9	Very high	97.2	Very high	10 Å²	10	30.3 Å²	30.3	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-140.4	-11.9	-174.1	0	0	0	0	0	117.2	V193 V217 I218 H223	V193-G221 VanDerWaalsContact CG1-CA 3.48Å; V217-G221 PolarHBondContact O-N 2.96Å; I218-G221 PolarHBondContact O-N 3.29Å; G221-H223 PolarHBondContact O-N 2.85Å
222	L	98	Very high	97.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	16%	0.159	C	C	.	.			trans	-95.8	67.5	173.1	-55	-173.1	0	0	0	110.8	V193 L199 L202 I218 N224 L225	V193-L222 HydrophobicContact CB-CD2 4.31Å; V193-L222 HydrophobicContact CG1-CD2 4.33Å; V193-L222 HydrophobicContact CG2-CD1 4.35Å; V193-L222 HydrophobicContact CG2-CD2 3.91Å; V193-L222 HydrophobicContact CG2-CG 3.9Å; L199-L222 HydrophobicContact CB-CD1 4.37Å; L199-L222 HydrophobicContact CB-CD2 4.03Å; L199-L222 HydrophobicContact CD2-CD1 3.96Å; L202-L222 HydrophobicContact CD2-CD1 4Å; I218-L222 HydrophobicContact CG1-CD1 4.48Å; I218-L222 HydrophobicContact CG2-CB 4.5Å; I218-L222 HydrophobicContact CG2-CD1 3.88Å; I218-L222 HydrophobicContact CG2-CG 4.35Å; I218-L222 PolarHBondContact O-N 3.31Å; L222-N224 PolarHBondContact O-N 3.2Å; L222-L225 HydrophobicContact CB-CB 4.04Å; L222-L225 HydrophobicContact CB-CD2 4.49Å; L222-L225 HydrophobicContact CD1-CD1 4.3Å; L222-L225 VanDerWaalsContact O-CB 3.22Å; L222-L225 WeakPolarHBondContact O-CB 3.31Å; L222-L225 PolarHBondContact O-N 2.91Å; L222-L225 VanDerWaalsContact O-N 3.12Å
223	H	96.1	Very high	96.9	Very high	58 Å²	58	27.8 Å²	27.8	27%	0.269	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.9	-173.7	-43.4	-59.6	0	0	0	114	S220 G221 E248 A249 N254	S220-H223 PolarHBondContact O-CE1 3.02Å; G221-H223 PolarHBondContact O-N 2.85Å; H223-E248 HydrophobicContact CB-CB 4.18Å; H223-E248 IonicContact CE1-OE1 2.75Å; H223-E248 IonicContact ND1-OE1 3.75Å; H223-A249 WeakPolarHBondContact O-CA 3.26Å; H223-N254 PolarHBondContact O-ND2 3.37Å
224	N	95.8	Very high	96.6	Very high	72 Å²	72	28.7 Å²	28.7	39%	0.385	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9.4	178	-60.7	-54	0	0	0	112.9	L222 R226	L222-N224 PolarHBondContact O-N 3.2Å; N224-R226 WeakPolarHBondContact O-CG 3.38Å; N224-R226 PolarHBondContact O-N 3.19Å
225	L	96.8	Very high	96.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.184	C	C	.	.			trans	-62.7	121.9	-176.6	-167.4	66.8	0	0	0	110.4	L202 I218 L222 L228 A249 L255	L202-L225 HydrophobicContact CB-CD1 4.15Å; I218-L225 HydrophobicContact CG2-CD2 3.83Å; L222-L225 HydrophobicContact CB-CB 4.04Å; L222-L225 HydrophobicContact CB-CD2 4.49Å; L222-L225 HydrophobicContact CD1-CD1 4.3Å; L222-L225 VanDerWaalsContact O-CB 3.22Å; L222-L225 WeakPolarHBondContact O-CB 3.31Å; L222-L225 PolarHBondContact O-N 2.91Å; L222-L225 VanDerWaalsContact O-N 3.12Å; L225-L228 HydrophobicContact CD2-CB 4.01Å; L225-L228 HydrophobicContact CD2-CD1 4.37Å; L225-L228 HydrophobicContact CD2-CD2 4Å; L225-L228 HydrophobicContact CD2-CG 4.36Å; L225-A249 HydrophobicContact CB-CB 4.07Å; L225-L255 HydrophobicContact CG-CD1 4.41Å; L225-L255 PolarHBondContact O-N 2.95Å
226	R	94.9	Very high	96.3	Very high	62 Å²	62	36.7 Å²	36.7	23%	0.234	19%	0.185	C	C	.	.			trans	-102.4	-42.1	177.2	-53.6	-178	73.6	-90.7	-7.2	110.9	E200 N224 N254 L255 D256 A257	E200-R226 HydrophobicContact CB-CG 4.25Å; E200-R226 WeakPolarHBondContact O-CA 3.24Å; E200-R226 WeakPolarHBondContact O-CB 3.39Å; E200-R226 PolarHBondContact O-N 2.62Å; N224-R226 WeakPolarHBondContact O-CG 3.38Å; N224-R226 PolarHBondContact O-N 3.19Å; R226-N254 VanDerWaalsContact CA-O 3.32Å; R226-N254 WeakPolarHBondContact CA-O 3.4Å; R226-L255 CarbonylContact O-C 3.51Å; R226-L255 WeakPolarHBondContact O-CA 3.35Å; R226-L255 WeakPolarHBondContact O-CD1 2.86Å; R226-D256 VanDerWaalsContact C-OD1 3.32Å; R226-D256 IonicContact CZ-OD2 3.86Å; R226-D256 IonicContact NH1-OD1 3.69Å; R226-D256 IonicContact NH1-OD2 2.66Å; R226-D256 PolarHBondContact NH1-OD2 2.66Å; R226-D256 IonicContact NH2-OD2 3.37Å; R226-D256 PolarHBondContact NH2-OD2 2.86Å; R226-D256 PolarHBondContact O-N 3.28Å; R226-A257 PolarHBondContact O-N 3.02Å; R226-A257 VanDerWaalsContact O-N 3.16Å
227	R	95.9	Very high	96.3	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.045	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124	-172.9	-60.2	-179	-72.6	171.9	-6.2	112	H175 E200 A201 L202 D256 A257 W259 P499 I500 T502	H175-R227 PolarHBondContact CE1-NH2 3.23Å; H175-R227 PolarHBondContact NE2-NH2 2.98Å; E200-R227 PolarHBondContact O-N 3.07Å; A201-R227 VanDerWaalsContact CA-O 3.29Å; A201-R227 WeakPolarHBondContact CA-O 3.33Å; A201-R227 HydrophobicContact CB-CB 3.9Å; L202-R227 PolarHBondContact N-O 3.2Å; R227-D256 WeakPolarHBondContact CG-OD1 3.49Å; R227-A257 WeakPolarHBondContact CA-O 3.43Å; R227-A257 HydrophobicContact CB-CB 4.49Å; R227-A257 HydrophobicContact CG-CB 3.96Å; R227-W259 HydrophobicContact CB-CZ3 4.34Å; R227-P499 PolarHBondContact NH1-O 2.76Å; R227-I500 HydrophobicContact CB-CG2 4.38Å; R227-I500 PolarHBondContact NE-O 2.57Å; R227-I500 PolarHBondContact NH1-O 2.7Å; R227-I500 PolarHBondContact NH2-O 3.41Å; R227-T502 PolarHBondContact NH2-OG1 3.4Å
228	L	97.3	Very high	96.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.6	178.7	-177.7	58.3	0	0	0	110.7	L202 L215 L225 L230 L244 L255 A257 I258 W259	L202-L228 HydrophobicContact CB-CD1 4.08Å; L202-L228 HydrophobicContact CD2-CD1 4.31Å; L202-L228 HydrophobicContact CG-CD1 4.22Å; L215-L228 HydrophobicContact CD2-CD2 3.88Å; L225-L228 HydrophobicContact CD2-CB 4.01Å; L225-L228 HydrophobicContact CD2-CD1 4.37Å; L225-L228 HydrophobicContact CD2-CD2 4Å; L225-L228 HydrophobicContact CD2-CG 4.36Å; L228-L230 HydrophobicContact CD1-CD1 4.45Å; L228-L230 HydrophobicContact CD1-CG 4.26Å; L228-L230 HydrophobicContact CD2-CD1 3.75Å; L228-L230 HydrophobicContact CD2-CG 4.42Å; L228-L230 HydrophobicContact CG-CD1 3.88Å; L228-L230 HydrophobicContact CG-CG 4.04Å; L228-L244 HydrophobicContact CD2-CD1 3.99Å; L228-L244 HydrophobicContact CD2-CD2 3.83Å; L228-L255 HydrophobicContact CB-CD1 4.42Å; L228-A257 PolarHBondContact N-O 3.34Å; L228-A257 VanDerWaalsContact N-O 3.09Å; L228-I258 WeakPolarHBondContact O-CA 3.12Å; L228-W259 PolarHBondContact O-N 2.73Å
229	N	96.8	Very high	96.3	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.5	174.9	-177.5	6.6	0	0	0	111.3	L202 N203 L204 S205 D231 W259 I500	L202-N229 PolarHBondContact O-N 3.11Å; N203-N229 HydrophobicContact CB-CB 4.47Å; N203-N229 WeakPolarHBondContact OD1-CB 3.17Å; N203-N229 PolarHBondContact OD1-ND2 2.95Å; N203-N229 VanDerWaalsContact OD1-ND2 3.09Å; L204-N229 CarbonylContact C-O 3.21Å; L204-N229 WeakPolarHBondContact CA-O 3.3Å; L204-N229 PolarHBondContact N-O 3.47Å; S205-N229 WeakPolarHBondContact CB-ND2 3.27Å; S205-N229 PolarHBondContact N-O 3.22Å; S205-N229 PolarHBondContact OG-ND2 2.79Å; N229-D231 VanDerWaalsContact OD1-CB 3.31Å; N229-D231 WeakPolarHBondContact OD1-CB 3.18Å; N229-D231 PolarHBondContact OD1-N 3.01Å; N229-W259 HydrophobicContact CB-CB 4.2Å; N229-W259 HydrophobicContact CB-CD2 4.33Å; N229-W259 HydrophobicContact CB-CE3 3.87Å; N229-W259 HydrophobicContact CB-CG 4.49Å; N229-W259 VanDerWaalsContact OD1-CB 3.23Å; N229-W259 WeakPolarHBondContact OD1-CB 3.31Å; N229-I500 HydrophobicContact CB-CD1 3.31Å; N229-I500 HydrophobicContact CB-CG1 4.14Å; N229-I500 WeakPolarHBondContact ND2-CD1 3.46Å
230	L	96.8	Very high	96.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	17.5	178.5	-64.6	160.8	0	0	0	111.4	L204 V210 L215 L228 G232 V233 W259 L260	L204-L230 HydrophobicContact CB-CD2 4Å; L204-L230 HydrophobicContact CD1-CD2 4.06Å; V210-L230 HydrophobicContact CG1-CD2 4Å; L215-L230 HydrophobicContact CD1-CD1 3.97Å; L215-L230 HydrophobicContact CD2-CD1 3.61Å; L215-L230 HydrophobicContact CG-CD1 4.06Å; L228-L230 HydrophobicContact CD1-CD1 4.45Å; L228-L230 HydrophobicContact CD1-CG 4.26Å; L228-L230 HydrophobicContact CD2-CD1 3.75Å; L228-L230 HydrophobicContact CD2-CG 4.42Å; L228-L230 HydrophobicContact CG-CD1 3.88Å; L228-L230 HydrophobicContact CG-CG 4.04Å; L230-G232 PolarHBondContact O-N 2.95Å; L230-V233 HydrophobicContact CB-CB 4.45Å; L230-V233 HydrophobicContact CB-CG2 4.33Å; L230-V233 HydrophobicContact CD2-CG2 4.29Å; L230-V233 VanDerWaalsContact O-CB 3.29Å; L230-V233 WeakPolarHBondContact O-CB 3.29Å; L230-V233 WeakPolarHBondContact O-CG2 3.45Å; L230-V233 PolarHBondContact O-N 2.96Å; L230-W259 CarbonylContact C-O 3.47Å; L230-W259 WeakPolarHBondContact CA-O 3.07Å; L230-W259 PolarHBondContact N-O 3.22Å; L230-L260 HydrophobicContact CB-CD2 4.26Å; L230-L260 HydrophobicContact CD1-CD2 4.02Å
231	D	94.7	Very high	96.3	Very high	25 Å²	25	33 Å²	33	13%	0.134	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.7	175	-173.3	56.2	0	0	0	110.5	S205 H206 N229 V233 W259 S308	S205-D231 CarbonylContact C-O 3.58Å; S205-D231 WeakPolarHBondContact CA-O 3.41Å; S205-D231 WeakPolarHBondContact CB-O 3.13Å; H206-D231 PolarHBondContact N-O 2.97Å; N229-D231 VanDerWaalsContact OD1-CB 3.31Å; N229-D231 WeakPolarHBondContact OD1-CB 3.18Å; N229-D231 PolarHBondContact OD1-N 3.01Å; D231-V233 PolarHBondContact O-N 2.75Å; D231-W259 HydrophobicContact CB-CB 4.32Å; D231-W259 PolarHBondContact N-O 3.28Å; D231-S308 WeakPolarHBondContact OD1-CB 3.49Å; D231-S308 PolarHBondContact OD1-OG 3.01Å
232	G	93.4	Very high	96.4	Very high	15 Å²	15	34.3 Å²	34.3	16%	0.155	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	15.3	-174.2	0	0	0	0	0	115.5	L230 D261	L230-G232 PolarHBondContact O-N 2.95Å; G232-D261 WeakPolarHBondContact CA-OD2 3.43Å; G232-D261 PolarHBondContact N-OD2 2.91Å
233	V	95.2	Very high	96.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.183	C	C	.	.			trans	-94.5	100.4	168.7	-177.9	0	0	0	0	108.9	L204 V210 L230 D231 W235 I236	L204-V233 VanDerWaalsContact O-CG2 3.3Å; L204-V233 WeakPolarHBondContact O-CG2 3.34Å; V210-V233 HydrophobicContact CB-CG1 3.7Å; V210-V233 HydrophobicContact CB-CG2 4.47Å; V210-V233 HydrophobicContact CG1-CG1 3.89Å; V210-V233 WeakPolarHBondContact O-CG1 3.41Å; L230-V233 HydrophobicContact CB-CB 4.45Å; L230-V233 HydrophobicContact CB-CG2 4.33Å; L230-V233 HydrophobicContact CD2-CG2 4.29Å; L230-V233 VanDerWaalsContact O-CB 3.29Å; L230-V233 WeakPolarHBondContact O-CB 3.29Å; L230-V233 WeakPolarHBondContact O-CG2 3.45Å; L230-V233 PolarHBondContact O-N 2.96Å; D231-V233 PolarHBondContact O-N 2.75Å; V233-W235 VanDerWaalsContact C-N 3.32Å; V233-W235 PolarHBondContact O-N 2.64Å; V233-I236 HydrophobicContact CB-CG1 4.27Å; V233-I236 HydrophobicContact CG1-CD1 4.12Å; V233-I236 HydrophobicContact CG1-CG1 3.78Å
234	L	91.8	Very high	96.5	Very high	93 Å²	93	34.2 Å²	34.2	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.6	-169.2	-60.5	176.3	0	0	0	115.1	E264	L234-E264 WeakPolarHBondContact O-CG 3.31Å
235	W	93.4	Very high	96.5	Very high	164 Å²	164	31 Å²	31	62%	0.621	15%	0.154	S	C	*	.	B	Isolated β-bridge	trans	-104.2	22.9	-175.7	-55.2	106.1	0	0	0	113.4	V208 C211 D212 V233	V208-W235 PolarHBondContact O-NE1 3.46Å; C211-W235 WeakPolarHBondContact CA-O 3.43Å; C211-W235 HydrophobicContact CB-CB 3.92Å; D212-W235 PolarHBondContact N-O 2.94Å; V233-W235 VanDerWaalsContact C-N 3.32Å; V233-W235 PolarHBondContact O-N 2.64Å
236	I	96.8	Very high	96.5	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.172	C	C	.	.			trans	-97.3	113.1	171.7	-59.1	-45.2	0	0	0	108.9	V210 C211 D212 L215 V233 V241 E264	V210-I236 HydrophobicContact CG1-CD1 4.41Å; C211-I236 VanDerWaalsContact C-CD1 3.44Å; D212-I236 WeakPolarHBondContact OD1-CA 3.23Å; L215-I236 HydrophobicContact CD1-CB 4.4Å; L215-I236 HydrophobicContact CD1-CD1 3.6Å; L215-I236 HydrophobicContact CD1-CG1 4.01Å; L215-I236 HydrophobicContact CD1-CG2 3.54Å; L215-I236 HydrophobicContact CG-CD1 3.95Å; V233-I236 HydrophobicContact CB-CG1 4.27Å; V233-I236 HydrophobicContact CG1-CD1 4.12Å; V233-I236 HydrophobicContact CG1-CG1 3.78Å; I236-V241 HydrophobicContact CG2-CG1 3.85Å; I236-E264 WeakPolarHBondContact O-CB 3.43Å
237	T	97.8	Very high	96.6	Very high	43 Å²	43	31.7 Å²	31.7	26%	0.264	16%	0.163	S	C	.	.			trans	-102.2	-178.3	175.5	79.1	0	0	0	0	110.7	D212 T239 G240 V241 E264	D212-T237 PolarHBondContact OD1-N 3.42Å; D212-T237 WeakPolarHBondContact OD2-CB 3.47Å; D212-T237 PolarHBondContact OD2-OG1 2.67Å; T237-T239 PolarHBondContact O-N 3.45Å; T237-T239 VanDerWaalsContact O-N 3.1Å; T237-T239 PolarHBondContact OG1-N 2.93Å; T237-T239 VanDerWaalsContact OG1-N 3.12Å; T237-G240 PolarHBondContact O-N 2.82Å; T237-V241 PolarHBondContact O-N 3.23Å; T237-E264 HydrophobicContact CG2-CB 4.35Å
238	D	98.4	Very high	96.6	Very high	39 Å²	39	35.8 Å²	35.8	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-44	-40.4	167.1	-62.8	-12.9	0	0	0	112.5	G240 V241 L242 L265 S266 G269	D238-G240 PolarHBondContact O-N 3.46Å; D238-V241 VanDerWaalsContact O-CG2 3.24Å; D238-V241 WeakPolarHBondContact O-CG2 3.29Å; D238-V241 PolarHBondContact O-N 3.45Å; D238-L242 WeakPolarHBondContact O-CB 3.45Å; D238-L242 WeakPolarHBondContact O-CG 3.47Å; D238-L242 PolarHBondContact O-N 3.22Å; D238-L265 WeakPolarHBondContact OD1-CA 3.41Å; D238-S266 PolarHBondContact OD1-N 2.97Å; D238-S266 PolarHBondContact OD1-OG 3.09Å; D238-S266 VanDerWaalsContact OD2-CB 3.29Å; D238-S266 WeakPolarHBondContact OD2-CB 3.31Å; D238-S266 PolarHBondContact OD2-OG 2.83Å; D238-G269 VanDerWaalsContact CG-CA 3.47Å
239	T	98.5	Very high	96.5	Very high	77 Å²	77	35.9 Å²	35.9	47%	0.472	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-43.4	-179.6	-55.8	0	0	0	0	111.8	T237 L242 H243	T237-T239 PolarHBondContact O-N 3.45Å; T237-T239 VanDerWaalsContact O-N 3.1Å; T237-T239 PolarHBondContact OG1-N 2.93Å; T237-T239 VanDerWaalsContact OG1-N 3.12Å; T239-L242 PolarHBondContact O-N 3.22Å; T239-H243 PolarHBondContact O-CD2 3.35Å; T239-H243 VanDerWaalsContact O-CD2 3.32Å; T239-H243 PolarHBondContact O-N 3.36Å
240	G	98.3	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-47.1	-179.9	0	0	0	0	0	112.5	D212 L215 T237 D238 L242 H243 L244	D212-G240 VanDerWaalsContact CG-N 3.34Å; D212-G240 WeakPolarHBondContact OD1-CA 3.42Å; D212-G240 PolarHBondContact OD1-N 3.13Å; D212-G240 VanDerWaalsContact OD1-N 3.14Å; L215-G240 VanDerWaalsContact CD1-C 3.48Å; L215-G240 WeakPolarHBondContact CD1-O 3.44Å; T237-G240 PolarHBondContact O-N 2.82Å; D238-G240 PolarHBondContact O-N 3.46Å; G240-L242 VanDerWaalsContact C-N 3.3Å; G240-L242 PolarHBondContact O-N 3.35Å; G240-H243 WeakPolarHBondContact O-CB 3.39Å; G240-H243 PolarHBondContact O-N 3.06Å; G240-L244 PolarHBondContact O-N 3.38Å
241	V	98.3	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-33.4	178.6	-63.1	0	0	0	0	111.8	I236 T237 D238 L244 A245 L260 L265 F273	I236-V241 HydrophobicContact CG2-CG1 3.85Å; T237-V241 PolarHBondContact O-N 3.23Å; D238-V241 VanDerWaalsContact O-CG2 3.24Å; D238-V241 WeakPolarHBondContact O-CG2 3.29Å; D238-V241 PolarHBondContact O-N 3.45Å; V241-L244 WeakPolarHBondContact O-CB 3.22Å; V241-L244 PolarHBondContact O-N 2.94Å; V241-A245 PolarHBondContact O-N 3.22Å; V241-L260 HydrophobicContact CG1-CD1 3.92Å; V241-L260 HydrophobicContact CG1-CD2 4.23Å; V241-L265 HydrophobicContact CG1-CD1 4.32Å; V241-L265 HydrophobicContact CG1-CD2 3.84Å; V241-L265 HydrophobicContact CG2-CD2 3.98Å; V241-F273 HydrophobicContact CB-CB 4.39Å; V241-F273 HydrophobicContact CB-CD2 3.8Å; V241-F273 HydrophobicContact CB-CE2 4.23Å; V241-F273 HydrophobicContact CB-CG 4.01Å; V241-F273 HydrophobicContact CG2-CB 4.13Å; V241-F273 HydrophobicContact CG2-CD2 4.4Å; V241-F273 HydrophobicContact CG2-CG 4.29Å; V241-F273 WeakPolarHBondContact O-CD2 3.22Å; V241-F273 WeakPolarHBondContact O-CE2 3.39Å
242	L	98.6	Very high	96	Very high	38 Å²	38	44.3 Å²	44.3	20%	0.199	22%	0.219	C	C	.	.	H	α-helix	trans	-69.9	-35	175.8	-67.8	-179.5	0	0	0	112.8	D238 T239 G240 L244 A245 D246 E272 F273	D238-L242 WeakPolarHBondContact O-CB 3.45Å; D238-L242 WeakPolarHBondContact O-CG 3.47Å; D238-L242 PolarHBondContact O-N 3.22Å; T239-L242 PolarHBondContact O-N 3.22Å; G240-L242 VanDerWaalsContact C-N 3.3Å; G240-L242 PolarHBondContact O-N 3.35Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.77Å; L242-A245 PolarHBondContact O-N 3.45Å; L242-D246 WeakPolarHBondContact O-CB 3.2Å; L242-D246 VanDerWaalsContact O-CG 3.26Å; L242-D246 PolarHBondContact O-N 3.19Å; L242-E272 HydrophobicContact CD1-CG 4.48Å; L242-E272 HydrophobicContact CD2-CB 4Å; L242-E272 HydrophobicContact CD2-CG 3.51Å; L242-F273 HydrophobicContact CD2-CB 4.45Å
243	H	98.5	Very high	95.8	Very high	58 Å²	58	44 Å²	44	27%	0.269	22%	0.215	S	C	.	.	H	α-helix	trans	-58.1	-40.9	168.6	-76.5	-40.8	0	0	0	112	K216 S219 T239 G240 D246 S247	K216-H243 HydrophobicContact CB-CB 4.49Å; S219-H243 VanDerWaalsContact CB-O 3.26Å; S219-H243 WeakPolarHBondContact CB-O 3.35Å; S219-H243 PolarHBondContact OG-O 3.16Å; T239-H243 PolarHBondContact O-CD2 3.35Å; T239-H243 VanDerWaalsContact O-CD2 3.32Å; T239-H243 PolarHBondContact O-N 3.36Å; G240-H243 WeakPolarHBondContact O-CB 3.39Å; G240-H243 PolarHBondContact O-N 3.06Å; H243-D246 PolarHBondContact O-N 3.45Å; H243-S247 PolarHBondContact O-N 3.44Å
244	L	98.1	Very high	95.7	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-43.8	177.2	-177.2	64.4	0	0	0	112.3	S219 L228 G240 V241 L242 D246 S247 V250 L255 I258 F273	S219-L244 VanDerWaalsContact OG-CA 3.24Å; S219-L244 WeakPolarHBondContact OG-CA 3.39Å; S219-L244 PolarHBondContact OG-N 2.85Å; L228-L244 HydrophobicContact CD2-CD1 3.99Å; L228-L244 HydrophobicContact CD2-CD2 3.83Å; G240-L244 PolarHBondContact O-N 3.38Å; V241-L244 WeakPolarHBondContact O-CB 3.22Å; V241-L244 PolarHBondContact O-N 2.94Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.77Å; L244-D246 PolarHBondContact O-N 3.19Å; L244-S247 WeakPolarHBondContact O-CB 3.15Å; L244-S247 PolarHBondContact O-N 3.4Å; L244-S247 VanDerWaalsContact O-N 3.08Å; L244-S247 PolarHBondContact O-OG 2.65Å; L244-V250 VanDerWaalsContact O-CG2 3.24Å; L244-V250 WeakPolarHBondContact O-CG2 3.35Å; L244-L255 HydrophobicContact CD2-CD2 4.37Å; L244-L255 HydrophobicContact CG-CD2 4.47Å; L244-I258 HydrophobicContact CD2-CD1 3.29Å; L244-I258 HydrophobicContact CD2-CG1 4.41Å; L244-F273 HydrophobicContact CB-CE2 4.43Å; L244-F273 HydrophobicContact CD2-CE2 4.35Å; L244-F273 HydrophobicContact CD2-CZ 4.37Å; L244-F273 HydrophobicContact CG-CE2 4.47Å
245	A	97.3	Very high	95.8	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-33	174.8	0	0	0	0	0	112.8	V241 L242 S247 V250 F273 R276	V241-A245 PolarHBondContact O-N 3.22Å; L242-A245 PolarHBondContact O-N 3.45Å; A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 3.06Å; A245-V250 WeakPolarHBondContact O-CG1 3.46Å; A245-F273 HydrophobicContact CB-CD2 3.65Å; A245-F273 HydrophobicContact CB-CE2 4.01Å; A245-R276 HydrophobicContact CB-CB 3.69Å; A245-R276 HydrophobicContact CB-CG 4.33Å
246	D	96.6	Very high	95.7	Very high	72 Å²	72	34.9 Å²	34.9	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.4	179.6	-66.7	-21.1	0	0	0	113.6	L242 H243 L244 R251 R276	L242-D246 WeakPolarHBondContact O-CB 3.2Å; L242-D246 VanDerWaalsContact O-CG 3.26Å; L242-D246 PolarHBondContact O-N 3.19Å; H243-D246 PolarHBondContact O-N 3.45Å; L244-D246 PolarHBondContact O-N 3.19Å; D246-R251 PolarHBondContact O-NE 2.89Å; D246-R276 IonicContact OD1-CZ 3.21Å; D246-R276 IonicContact OD1-NE 2.79Å; D246-R276 IonicContact OD1-NH1 3.89Å; D246-R276 PolarHBondContact OD1-NH1 3.37Å; D246-R276 IonicContact OD2-NH1 2.69Å; D246-R276 PolarHBondContact OD2-NH1 3.37Å
247	S	97.1	Very high	95.6	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	18%	0.179	C	C	.	.	S	Bend	trans	-64.7	155	-176.9	73.2	0	0	0	0	113.6	S219 H243 L244 A245 A249 V250 R251	S219-S247 WeakPolarHBondContact O-CB 3.33Å; H243-S247 PolarHBondContact O-N 3.44Å; L244-S247 WeakPolarHBondContact O-CB 3.15Å; L244-S247 PolarHBondContact O-N 3.4Å; L244-S247 VanDerWaalsContact O-N 3.08Å; L244-S247 PolarHBondContact O-OG 2.65Å; A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 3.06Å; S247-A249 PolarHBondContact O-N 3.33Å; S247-V250 PolarHBondContact O-N 3.32Å; S247-V250 PolarHBondContact OG-N 3.44Å; S247-R251 VanDerWaalsContact O-CG 3.3Å; S247-R251 WeakPolarHBondContact O-CG 3.49Å; S247-R251 PolarHBondContact O-N 3.14Å
248	E	95.4	Very high	95.5	Very high	99 Å²	99	32.7 Å²	32.7	46%	0.463	17%	0.166	S	C	.	.	H	α-helix	trans	-62.9	-32.5	171.7	-72.1	-174.2	-126	0	0	112.5	H223 V250 R251 N252	H223-E248 HydrophobicContact CB-CB 4.18Å; H223-E248 IonicContact CE1-OE1 2.75Å; H223-E248 IonicContact ND1-OE1 3.75Å; E248-V250 VanDerWaalsContact C-N 3.33Å; E248-V250 PolarHBondContact O-N 3.1Å; E248-R251 PolarHBondContact O-N 2.85Å; E248-N252 WeakPolarHBondContact O-CB 3.42Å; E248-N252 PolarHBondContact O-N 2.59Å; E248-N252 PolarHBondContact O-ND2 3.49Å
249	A	95.3	Very high	95.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-43.9	176.5	0	0	0	0	0	111.8	H223 L225 S247 G253 N254 L255	H223-A249 WeakPolarHBondContact O-CA 3.26Å; L225-A249 HydrophobicContact CB-CB 4.07Å; S247-A249 PolarHBondContact O-N 3.33Å; A249-G253 PolarHBondContact O-N 2.92Å; A249-N254 WeakPolarHBondContact O-CB 3.46Å; A249-N254 PolarHBondContact O-N 2.81Å; A249-L255 PolarHBondContact O-N 2.86Å
250	V	95.3	Very high	95.4	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-69	-48.1	174.3	170.2	0	0	0	0	110.7	L244 A245 S247 E248 N252 G253 L255 L277 A280	L244-V250 VanDerWaalsContact O-CG2 3.24Å; L244-V250 WeakPolarHBondContact O-CG2 3.35Å; A245-V250 WeakPolarHBondContact O-CG1 3.46Å; S247-V250 PolarHBondContact O-N 3.32Å; S247-V250 PolarHBondContact OG-N 3.44Å; E248-V250 VanDerWaalsContact C-N 3.33Å; E248-V250 PolarHBondContact O-N 3.1Å; V250-N252 PolarHBondContact O-N 3.44Å; V250-G253 WeakPolarHBondContact O-CA 3.13Å; V250-G253 PolarHBondContact O-N 3.39Å; V250-L255 HydrophobicContact CG2-CB 4.18Å; V250-L255 HydrophobicContact CG2-CD2 3.78Å; V250-L277 HydrophobicContact CG1-CD2 3.82Å; V250-L277 HydrophobicContact CG2-CD2 3.85Å; V250-A280 HydrophobicContact CG1-CB 3.75Å; V250-A280 VanDerWaalsContact O-CB 3.25Å; V250-A280 WeakPolarHBondContact O-CB 3.43Å
251	R	92.2	Very high	95.2	Very high	124 Å²	124	28.1 Å²	28.1	47%	0.468	14%	0.138	S	C	.	.	H	α-helix	trans	-58.6	-34.8	-179.3	-70.1	172.5	-175.2	-131.1	-5.5	113.5	D246 S247 E248 R283	D246-R251 PolarHBondContact O-NE 2.89Å; S247-R251 VanDerWaalsContact O-CG 3.3Å; S247-R251 WeakPolarHBondContact O-CG 3.49Å; S247-R251 PolarHBondContact O-N 3.14Å; E248-R251 PolarHBondContact O-N 2.85Å; R251-R283 PolarHBondContact O-NH1 2.91Å
252	N	90.4	Very high	95.1	Very high	86 Å²	86	28.1 Å²	28.1	46%	0.46	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.2	176.9	-62.9	-17.8	0	0	0	112.1	E248 V250 N254	E248-N252 WeakPolarHBondContact O-CB 3.42Å; E248-N252 PolarHBondContact O-N 2.59Å; E248-N252 PolarHBondContact O-ND2 3.49Å; V250-N252 PolarHBondContact O-N 3.44Å; N252-N254 PolarHBondContact O-N 2.79Å
253	G	89.2	Confident	94.9	Very high	7 Å²	7	30.7 Å²	30.7	7%	0.072	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	26.7	-178.2	0	0	0	0	0	113.6	A249 V250 I300 G301	A249-G253 PolarHBondContact O-N 2.92Å; V250-G253 WeakPolarHBondContact O-CA 3.13Å; V250-G253 PolarHBondContact O-N 3.39Å; G253-I300 VanDerWaalsContact CA-CG2 3.49Å; G253-G301 PolarHBondContact O-N 2.89Å
254	N	91.7	Very high	94.8	Very high	44 Å²	44	32.3 Å²	32.3	24%	0.235	16%	0.155	C	C	.	.			trans	-74.8	-35.2	178.1	-67.2	-20.7	0	0	0	111.8	H223 R226 A249 N252 D256	H223-N254 PolarHBondContact O-ND2 3.37Å; R226-N254 VanDerWaalsContact CA-O 3.32Å; R226-N254 WeakPolarHBondContact CA-O 3.4Å; A249-N254 WeakPolarHBondContact O-CB 3.46Å; A249-N254 PolarHBondContact O-N 2.81Å; N252-N254 PolarHBondContact O-N 2.79Å; N254-D256 PolarHBondContact O-N 3.03Å; N254-D256 VanDerWaalsContact O-N 3.11Å
255	L	94.2	Very high	94.7	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	16%	0.156	C	C	.	.			trans	-69.1	106.4	-176.8	-167	77.1	0	0	0	110.4	L225 R226 L228 L244 A249 V250 I258 L277 G301 I302	L225-L255 HydrophobicContact CG-CD1 4.41Å; L225-L255 PolarHBondContact O-N 2.95Å; R226-L255 CarbonylContact O-C 3.51Å; R226-L255 WeakPolarHBondContact O-CA 3.35Å; R226-L255 WeakPolarHBondContact O-CD1 2.86Å; L228-L255 HydrophobicContact CB-CD1 4.42Å; L244-L255 HydrophobicContact CD2-CD2 4.37Å; L244-L255 HydrophobicContact CG-CD2 4.47Å; A249-L255 PolarHBondContact O-N 2.86Å; V250-L255 HydrophobicContact CG2-CB 4.18Å; V250-L255 HydrophobicContact CG2-CD2 3.78Å; L255-I258 HydrophobicContact CD2-CD1 4.5Å; L255-L277 HydrophobicContact CD2-CD2 4.4Å; L255-G301 CarbonylContact O-C 3.48Å; L255-I302 HydrophobicContact CD2-CD1 4.29Å; L255-I302 HydrophobicContact CG-CD1 4.17Å; L255-I302 PolarHBondContact O-N 3.14Å
256	D	92.1	Very high	94.7	Very high	21 Å²	21	33.8 Å²	33.8	11%	0.112	17%	0.165	C	C	.	.			trans	-104.1	-23.7	-176.8	68.8	-4.2	0	0	0	113.3	R226 R227 N254 Q303 Q304	R226-D256 VanDerWaalsContact C-OD1 3.32Å; R226-D256 IonicContact CZ-OD2 3.86Å; R226-D256 IonicContact NH1-OD1 3.69Å; R226-D256 IonicContact NH1-OD2 2.66Å; R226-D256 PolarHBondContact NH1-OD2 2.66Å; R226-D256 IonicContact NH2-OD2 3.37Å; R226-D256 PolarHBondContact NH2-OD2 2.86Å; R226-D256 PolarHBondContact O-N 3.28Å; R227-D256 WeakPolarHBondContact CG-OD1 3.49Å; N254-D256 PolarHBondContact O-N 3.03Å; N254-D256 VanDerWaalsContact O-N 3.11Å; D256-Q303 PolarHBondContact O-N 2.89Å; D256-Q304 PolarHBondContact O-N 3.11Å
257	A	94.7	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	134.3	177.3	0	0	0	0	0	113.3	R226 R227 L228 W259 Q304	R226-A257 PolarHBondContact O-N 3.02Å; R226-A257 VanDerWaalsContact O-N 3.16Å; R227-A257 WeakPolarHBondContact CA-O 3.43Å; R227-A257 HydrophobicContact CB-CB 4.49Å; R227-A257 HydrophobicContact CG-CB 3.96Å; L228-A257 PolarHBondContact N-O 3.34Å; L228-A257 VanDerWaalsContact N-O 3.09Å; A257-W259 HydrophobicContact CB-CE3 4.44Å; A257-W259 HydrophobicContact CB-CH2 3.44Å; A257-W259 VanDerWaalsContact CB-CH2 3.44Å; A257-W259 HydrophobicContact CB-CZ2 4.28Å; A257-W259 HydrophobicContact CB-CZ3 3.54Å; A257-Q304 WeakPolarHBondContact CA-O 3.38Å; A257-Q304 HydrophobicContact CB-CB 3.75Å; A257-Q304 HydrophobicContact CB-CG 4.17Å
258	I	96.2	Very high	94.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.2	174.6	-164.3	178.4	0	0	0	111.8	L228 L244 L255 L260 F273 I302 Q304 L305 W306	L228-I258 WeakPolarHBondContact O-CA 3.12Å; L244-I258 HydrophobicContact CD2-CD1 3.29Å; L244-I258 HydrophobicContact CD2-CG1 4.41Å; L255-I258 HydrophobicContact CD2-CD1 4.5Å; I258-L260 HydrophobicContact CD1-CD1 3.97Å; I258-L260 HydrophobicContact CD1-CD2 3.83Å; I258-L260 HydrophobicContact CD1-CG 3.9Å; I258-L260 HydrophobicContact CG1-CD2 4.1Å; I258-L260 HydrophobicContact CG1-CG 4.03Å; I258-F273 HydrophobicContact CD1-CE1 4.2Å; I258-F273 HydrophobicContact CD1-CZ 3.63Å; I258-I302 HydrophobicContact CB-CD1 4.21Å; I258-I302 HydrophobicContact CG2-CD1 3.85Å; I258-Q304 PolarHBondContact N-O 2.94Å; I258-L305 HydrophobicContact CG2-CD1 3.62Å; I258-W306 PolarHBondContact O-N 2.78Å
259	W	96.5	Very high	95	Very high	11 Å²	11	30.7 Å²	30.7	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.3	171.6	-61.6	-101	0	0	0	109.5	R227 L228 N229 L230 D231 A257 W306 I500	R227-W259 HydrophobicContact CB-CZ3 4.34Å; L228-W259 PolarHBondContact O-N 2.73Å; N229-W259 HydrophobicContact CB-CB 4.2Å; N229-W259 HydrophobicContact CB-CD2 4.33Å; N229-W259 HydrophobicContact CB-CE3 3.87Å; N229-W259 HydrophobicContact CB-CG 4.49Å; N229-W259 VanDerWaalsContact OD1-CB 3.23Å; N229-W259 WeakPolarHBondContact OD1-CB 3.31Å; L230-W259 CarbonylContact C-O 3.47Å; L230-W259 WeakPolarHBondContact CA-O 3.07Å; L230-W259 PolarHBondContact N-O 3.22Å; D231-W259 HydrophobicContact CB-CB 4.32Å; D231-W259 PolarHBondContact N-O 3.28Å; A257-W259 HydrophobicContact CB-CE3 4.44Å; A257-W259 HydrophobicContact CB-CH2 3.44Å; A257-W259 VanDerWaalsContact CB-CH2 3.44Å; A257-W259 HydrophobicContact CB-CZ2 4.28Å; A257-W259 HydrophobicContact CB-CZ3 3.54Å; W259-W306 CarbonylContact C-O 3.6Å; W259-W306 WeakPolarHBondContact CA-O 3.3Å; W259-W306 HydrophobicContact CB-CB 4.24Å; W259-W306 AromaticContact CD1-CD2 3.44Å; W259-W306 VanDerWaalsContact CD1-CD2 3.44Å; W259-W306 AromaticContact CD1-CE3 3.52Å; W259-W306 AromaticContact CD1-CG 3.37Å; W259-W306 HydrophobicContact CG-CB 3.89Å; W259-W306 HydrophobicContact CG-CG 4.25Å; W259-W306 AromaticContact NE1-CD2 3.86Å; W259-W306 AromaticContact NE1-CE3 3.41Å; W259-I500 HydrophobicContact CE3-CG1 4.33Å; W259-I500 HydrophobicContact CH2-CG1 4.09Å; W259-I500 HydrophobicContact CZ3-CG1 3.85Å
260	L	97	Very high	95.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.7	-177.2	-63.6	175.2	0	0	0	110.8	L230 V241 I258 L265 F273 W306 I307 S308	L230-L260 HydrophobicContact CB-CD2 4.26Å; L230-L260 HydrophobicContact CD1-CD2 4.02Å; V241-L260 HydrophobicContact CG1-CD1 3.92Å; V241-L260 HydrophobicContact CG1-CD2 4.23Å; I258-L260 HydrophobicContact CD1-CD1 3.97Å; I258-L260 HydrophobicContact CD1-CD2 3.83Å; I258-L260 HydrophobicContact CD1-CG 3.9Å; I258-L260 HydrophobicContact CG1-CD2 4.1Å; I258-L260 HydrophobicContact CG1-CG 4.03Å; L260-L265 HydrophobicContact CD1-CD1 4.26Å; L260-F273 HydrophobicContact CD1-CE1 4.01Å; L260-W306 PolarHBondContact N-O 3.21Å; L260-I307 HydrophobicContact CB-CG2 4.45Å; L260-I307 WeakPolarHBondContact O-CA 3.49Å; L260-S308 PolarHBondContact O-N 2.93Å; L260-S308 PolarHBondContact O-OG 2.7Å
261	D	95.6	Very high	95.2	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.043	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.1	156.8	-161.5	-52.7	0	0	0	108.6	G232 F263 F309	G232-D261 WeakPolarHBondContact CA-OD2 3.43Å; G232-D261 PolarHBondContact N-OD2 2.91Å; D261-F263 VanDerWaalsContact OD1-CB 3.24Å; D261-F263 WeakPolarHBondContact OD1-CB 3.19Å; D261-F263 PolarHBondContact OD1-N 3.33Å; D261-F309 WeakPolarHBondContact OD2-CD2 3.19Å
262	G	94.3	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.			trans	-91.2	0.2	-175.3	0	0	0	0	0	114.5	E264 L265 S308 F309	G262-E264 VanDerWaalsContact C-N 3.32Å; G262-E264 PolarHBondContact O-N 3.37Å; G262-L265 PolarHBondContact O-N 3.26Å; G262-S308 WeakPolarHBondContact CA-O 3.36Å; G262-S308 PolarHBondContact N-O 2.9Å; G262-F309 CarbonylContact C-O 3.56Å
263	F	95	Very high	95.8	Very high	93 Å²	93	25.8 Å²	25.8	41%	0.408	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40	-171.4	-175.5	-99.9	0	0	0	113.4	D261 F309 H312	D261-F263 VanDerWaalsContact OD1-CB 3.24Å; D261-F263 WeakPolarHBondContact OD1-CB 3.19Å; D261-F263 PolarHBondContact OD1-N 3.33Å; F263-F309 HydrophobicContact CB-CB 4.17Å; F263-F309 PolarHBondContact N-O 3.38Å; F263-H312 PolarHBondContact O-CD2 2.9Å
264	E	96.3	Very high	96.2	Very high	91 Å²	91	25.4 Å²	25.4	43%	0.425	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.6	178.6	-66.7	-64.2	159.3	0	0	113.3	L234 I236 T237 G262	L234-E264 WeakPolarHBondContact O-CG 3.31Å; I236-E264 WeakPolarHBondContact O-CB 3.43Å; T237-E264 HydrophobicContact CG2-CB 4.35Å; G262-E264 VanDerWaalsContact C-N 3.32Å; G262-E264 PolarHBondContact O-N 3.37Å
265	L	96.9	Very high	96.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.138	C	C	.	.			trans	-90.5	127.2	177.8	-59.8	-175.2	0	0	0	110.4	D238 V241 L260 G262	D238-L265 WeakPolarHBondContact OD1-CA 3.41Å; V241-L265 HydrophobicContact CG1-CD1 4.32Å; V241-L265 HydrophobicContact CG1-CD2 3.84Å; V241-L265 HydrophobicContact CG2-CD2 3.98Å; L260-L265 HydrophobicContact CD1-CD1 4.26Å; G262-L265 PolarHBondContact O-N 3.26Å
266	S	97.3	Very high	96.4	Very high	35 Å²	35	28.4 Å²	28.4	25%	0.245	15%	0.148	C	C	.	.			trans	-79.2	156.9	170.6	79.9	0	0	0	0	110.8	D238 S268 G269 L270	D238-S266 PolarHBondContact OD1-N 2.97Å; D238-S266 PolarHBondContact OD1-OG 3.09Å; D238-S266 VanDerWaalsContact OD2-CB 3.29Å; D238-S266 WeakPolarHBondContact OD2-CB 3.31Å; D238-S266 PolarHBondContact OD2-OG 2.83Å; S266-S268 PolarHBondContact O-N 2.65Å; S266-S268 PolarHBondContact OG-N 3.16Å; S266-S268 PolarHBondContact OG-OG 3.19Å; S266-G269 PolarHBondContact O-N 3.42Å; S266-G269 PolarHBondContact OG-N 3.48Å; S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 PolarHBondContact O-N 2.92Å
267	N	97.9	Very high	96.5	Very high	25 Å²	25	27.6 Å²	27.6	13%	0.134	14%	0.144	C	C	.	.	H	α-helix	trans	-52.1	-43.4	170.1	-178.5	54	0	0	0	111.9	N271 H312 E314 A317	N267-N271 WeakPolarHBondContact O-CB 3.41Å; N267-N271 PolarHBondContact O-N 3.06Å; N267-H312 WeakPolarHBondContact CB-O 3.47Å; N267-H312 PolarHBondContact N-O 2.86Å; N267-E314 HydrophobicContact CB-CB 4.34Å; N267-E314 HydrophobicContact CB-CG 4.16Å; N267-E314 PolarHBondContact OD1-N 3.24Å; N267-E314 PolarHBondContact OD1-O 3.38Å; N267-A317 WeakPolarHBondContact OD1-CB 3.43Å; N267-A317 PolarHBondContact OD1-N 2.95Å
268	S	98.2	Very high	96.4	Very high	84 Å²	84	28.4 Å²	28.4	59%	0.587	15%	0.148	S	C	*	.	H	α-helix	trans	-67.4	-42.3	179.5	45	0	0	0	0	113.5	S266 N271 E272	S266-S268 PolarHBondContact O-N 2.65Å; S266-S268 PolarHBondContact OG-N 3.16Å; S266-S268 PolarHBondContact OG-OG 3.19Å; S268-N271 PolarHBondContact O-N 3.39Å; S268-E272 WeakPolarHBondContact O-CB 3.37Å; S268-E272 PolarHBondContact O-N 2.66Å
269	G	97.9	Very high	96	Very high	4 Å²	4	32.1 Å²	32.1	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-69.8	-41.6	-179.2	0	0	0	0	0	112.1	D238 S266 E272 F273	D238-G269 VanDerWaalsContact CG-CA 3.47Å; S266-G269 PolarHBondContact O-N 3.42Å; S266-G269 PolarHBondContact OG-N 3.48Å; G269-E272 PolarHBondContact O-N 3.12Å; G269-F273 WeakPolarHBondContact O-CB 3.39Å; G269-F273 PolarHBondContact O-N 3.21Å
270	L	97.6	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-46.2	172.3	178.7	58.2	0	0	0	111.3	S266 E272 F273 I274 I307 V313 A317	S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 PolarHBondContact O-N 2.92Å; L270-E272 VanDerWaalsContact C-N 3.33Å; L270-E272 PolarHBondContact O-N 3.1Å; L270-F273 HydrophobicContact CD1-CD1 4.16Å; L270-F273 WeakPolarHBondContact O-CB 3.32Å; L270-F273 PolarHBondContact O-N 2.85Å; L270-I274 HydrophobicContact CD1-CD1 4.18Å; L270-I274 HydrophobicContact CD1-CG1 3.93Å; L270-I274 HydrophobicContact CG-CG1 4.29Å; L270-I274 VanDerWaalsContact O-CG1 3.28Å; L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 3.25Å; L270-I307 HydrophobicContact CD1-CD1 3.43Å; L270-I307 VanDerWaalsContact CD1-CD1 3.43Å; L270-I307 HydrophobicContact CD2-CD1 3.71Å; L270-I307 HydrophobicContact CG-CD1 4.21Å; L270-V313 HydrophobicContact CD2-CB 4.41Å; L270-V313 HydrophobicContact CD2-CG1 3.93Å; L270-V313 HydrophobicContact CD2-CG2 3.51Å; L270-A317 HydrophobicContact CB-CB 4.48Å; L270-A317 HydrophobicContact CD2-CB 4.25Å; L270-A317 HydrophobicContact CG-CB 4.27Å
271	N	98.2	Very high	94.4	Very high	39 Å²	39	33.9 Å²	33.9	21%	0.209	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-48	178	-176.9	73.6	0	0	0	111.8	N267 S268 F273 I274 V275 E316 A317 S320	N267-N271 WeakPolarHBondContact O-CB 3.41Å; N267-N271 PolarHBondContact O-N 3.06Å; S268-N271 PolarHBondContact O-N 3.39Å; N271-F273 PolarHBondContact O-N 3.2Å; N271-I274 PolarHBondContact O-N 3.26Å; N271-V275 VanDerWaalsContact O-CG2 3.32Å; N271-V275 WeakPolarHBondContact O-CG2 3.23Å; N271-V275 PolarHBondContact O-N 3.01Å; N271-E316 PolarHBondContact OD1-O 3.03Å; N271-A317 HydrophobicContact CB-CB 4.04Å; N271-S320 WeakPolarHBondContact OD1-CB 3.19Å; N271-S320 PolarHBondContact OD1-OG 3.29Å
272	E	98	Very high	93.3	Very high	73 Å²	73	40.1 Å²	40.1	34%	0.341	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-42	177.3	-179.7	64.6	-166.3	0	0	111.9	L242 S268 G269 L270 I274 V275 R276	L242-E272 HydrophobicContact CD1-CG 4.48Å; L242-E272 HydrophobicContact CD2-CB 4Å; L242-E272 HydrophobicContact CD2-CG 3.51Å; S268-E272 WeakPolarHBondContact O-CB 3.37Å; S268-E272 PolarHBondContact O-N 2.66Å; G269-E272 PolarHBondContact O-N 3.12Å; L270-E272 VanDerWaalsContact C-N 3.33Å; L270-E272 PolarHBondContact O-N 3.1Å; E272-I274 PolarHBondContact O-N 2.72Å; E272-V275 PolarHBondContact O-N 3.31Å; E272-R276 WeakPolarHBondContact O-CG 3.42Å; E272-R276 PolarHBondContact O-N 3.17Å; E272-R276 IonicContact OE1-CZ 2.85Å; E272-R276 IonicContact OE1-NE 2.57Å; E272-R276 PolarHBondContact OE1-NE 2.69Å; E272-R276 IonicContact OE1-NH2 2.64Å; E272-R276 PolarHBondContact OE1-NH2 3.46Å
273	F	97.9	Very high	91.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-48.3	174.7	175.2	-112	0	0	0	111.7	V241 L242 L244 A245 I258 L260 G269 L270 N271 R276 L277	V241-F273 HydrophobicContact CB-CB 4.39Å; V241-F273 HydrophobicContact CB-CD2 3.8Å; V241-F273 HydrophobicContact CB-CE2 4.23Å; V241-F273 HydrophobicContact CB-CG 4.01Å; V241-F273 HydrophobicContact CG2-CB 4.13Å; V241-F273 HydrophobicContact CG2-CD2 4.4Å; V241-F273 HydrophobicContact CG2-CG 4.29Å; V241-F273 WeakPolarHBondContact O-CD2 3.22Å; V241-F273 WeakPolarHBondContact O-CE2 3.39Å; L242-F273 HydrophobicContact CD2-CB 4.45Å; L244-F273 HydrophobicContact CB-CE2 4.43Å; L244-F273 HydrophobicContact CD2-CE2 4.35Å; L244-F273 HydrophobicContact CD2-CZ 4.37Å; L244-F273 HydrophobicContact CG-CE2 4.47Å; A245-F273 HydrophobicContact CB-CD2 3.65Å; A245-F273 HydrophobicContact CB-CE2 4.01Å; I258-F273 HydrophobicContact CD1-CE1 4.2Å; I258-F273 HydrophobicContact CD1-CZ 3.63Å; L260-F273 HydrophobicContact CD1-CE1 4.01Å; G269-F273 WeakPolarHBondContact O-CB 3.39Å; G269-F273 PolarHBondContact O-N 3.21Å; L270-F273 HydrophobicContact CD1-CD1 4.16Å; L270-F273 WeakPolarHBondContact O-CB 3.32Å; L270-F273 PolarHBondContact O-N 2.85Å; N271-F273 PolarHBondContact O-N 3.2Å; F273-R276 PolarHBondContact O-N 3.23Å; F273-L277 HydrophobicContact CD1-CD1 4.03Å; F273-L277 HydrophobicContact CE1-CD1 3.46Å; F273-L277 VanDerWaalsContact CE1-CD1 3.46Å; F273-L277 HydrophobicContact CE1-CG 4.27Å; F273-L277 HydrophobicContact CE2-CD1 4.28Å; F273-L277 HydrophobicContact CE2-CD2 4.35Å; F273-L277 HydrophobicContact CE2-CG 4.25Å; F273-L277 HydrophobicContact CZ-CD1 3.59Å; F273-L277 HydrophobicContact CZ-CD2 4.19Å; F273-L277 HydrophobicContact CZ-CG 4.04Å; F273-L277 WeakPolarHBondContact O-CG 3.21Å; F273-L277 PolarHBondContact O-N 2.92Å
274	I	97	Very high	89	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-43.6	179.5	-63.5	-61.8	0	0	0	111.7	L270 N271 E272 R276 L277 E278 L305 S320 I321 L324	L270-I274 HydrophobicContact CD1-CD1 4.18Å; L270-I274 HydrophobicContact CD1-CG1 3.93Å; L270-I274 HydrophobicContact CG-CG1 4.29Å; L270-I274 VanDerWaalsContact O-CG1 3.28Å; L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 3.25Å; N271-I274 PolarHBondContact O-N 3.26Å; E272-I274 PolarHBondContact O-N 2.72Å; I274-R276 VanDerWaalsContact C-N 3.25Å; I274-R276 PolarHBondContact O-N 3.28Å; I274-L277 HydrophobicContact CD1-CD1 4.28Å; I274-L277 WeakPolarHBondContact O-CB 2.92Å; I274-L277 PolarHBondContact O-N 3.03Å; I274-E278 WeakPolarHBondContact O-CB 3.07Å; I274-E278 PolarHBondContact O-N 3.23Å; I274-L305 HydrophobicContact CD1-CD1 4.38Å; I274-L305 HydrophobicContact CD1-CD2 3.61Å; I274-S320 VanDerWaalsContact CG2-C 3.48Å; I274-S320 WeakPolarHBondContact CG2-O 3.45Å; I274-I321 HydrophobicContact CD1-CG1 3.9Å; I274-I321 HydrophobicContact CG1-CG1 3.86Å; I274-I321 HydrophobicContact CG2-CG1 4.13Å; I274-L324 HydrophobicContact CD1-CD1 4.06Å; I274-L324 HydrophobicContact CG2-CD1 4.07Å; I274-L324 HydrophobicContact CG2-CD2 4.41Å; I274-L324 HydrophobicContact CG2-CG 4.13Å
275	V	95.5	Very high	86.4	Confident	45 Å²	45	46.6 Å²	46.6	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-37.9	177.3	167.7	0	0	0	0	111.1	N271 E272 E278 C279	N271-V275 VanDerWaalsContact O-CG2 3.32Å; N271-V275 WeakPolarHBondContact O-CG2 3.23Å; N271-V275 PolarHBondContact O-N 3.01Å; E272-V275 PolarHBondContact O-N 3.31Å; V275-E278 PolarHBondContact O-N 2.99Å; V275-C279 WeakPolarHBondContact O-CB 3.4Å; V275-C279 PolarHBondContact O-N 3.47Å; V275-C279 PolarHBondContact O-SG 3.39Å
276	R	94.7	Very high	83.9	Confident	64 Å²	64	54.2 Å²	54.2	24%	0.242	29%	0.287	C	S	.	.	H	α-helix	trans	-71.1	-39.6	176.6	-70.3	-178.1	-169.5	175.9	13.7	112.8	A245 D246 E272 F273 I274 E278 C279 A280	A245-R276 HydrophobicContact CB-CB 3.69Å; A245-R276 HydrophobicContact CB-CG 4.33Å; D246-R276 IonicContact OD1-CZ 3.21Å; D246-R276 IonicContact OD1-NE 2.79Å; D246-R276 IonicContact OD1-NH1 3.89Å; D246-R276 PolarHBondContact OD1-NH1 3.37Å; D246-R276 IonicContact OD2-NH1 2.69Å; D246-R276 PolarHBondContact OD2-NH1 3.37Å; E272-R276 WeakPolarHBondContact O-CG 3.42Å; E272-R276 PolarHBondContact O-N 3.17Å; E272-R276 IonicContact OE1-CZ 2.85Å; E272-R276 IonicContact OE1-NE 2.57Å; E272-R276 PolarHBondContact OE1-NE 2.69Å; E272-R276 IonicContact OE1-NH2 2.64Å; E272-R276 PolarHBondContact OE1-NH2 3.46Å; F273-R276 PolarHBondContact O-N 3.23Å; I274-R276 VanDerWaalsContact C-N 3.25Å; I274-R276 PolarHBondContact O-N 3.28Å; R276-E278 VanDerWaalsContact C-N 3.34Å; R276-C279 PolarHBondContact O-N 3.32Å; R276-A280 PolarHBondContact O-N 3.32Å; R276-A280 VanDerWaalsContact O-N 3.07Å
277	L	94.5	Very high	81.4	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-48.1	171.6	-70.6	177.5	0	0	0	110.7	V250 L255 F273 I274 C279 A280 T281 I302 L324	V250-L277 HydrophobicContact CG1-CD2 3.82Å; V250-L277 HydrophobicContact CG2-CD2 3.85Å; L255-L277 HydrophobicContact CD2-CD2 4.4Å; F273-L277 HydrophobicContact CD1-CD1 4.03Å; F273-L277 HydrophobicContact CE1-CD1 3.46Å; F273-L277 VanDerWaalsContact CE1-CD1 3.46Å; F273-L277 HydrophobicContact CE1-CG 4.27Å; F273-L277 HydrophobicContact CE2-CD1 4.28Å; F273-L277 HydrophobicContact CE2-CD2 4.35Å; F273-L277 HydrophobicContact CE2-CG 4.25Å; F273-L277 HydrophobicContact CZ-CD1 3.59Å; F273-L277 HydrophobicContact CZ-CD2 4.19Å; F273-L277 HydrophobicContact CZ-CG 4.04Å; F273-L277 WeakPolarHBondContact O-CG 3.21Å; F273-L277 PolarHBondContact O-N 2.92Å; I274-L277 HydrophobicContact CD1-CD1 4.28Å; I274-L277 WeakPolarHBondContact O-CB 2.92Å; I274-L277 PolarHBondContact O-N 3.03Å; L277-C279 PolarHBondContact O-N 3.07Å; L277-A280 PolarHBondContact O-N 3.28Å; L277-T281 WeakPolarHBondContact O-CG2 3.41Å; L277-T281 PolarHBondContact O-N 3.1Å; L277-I302 HydrophobicContact CD1-CG1 4.07Å; L277-I302 HydrophobicContact CD2-CG1 4.15Å; L277-L324 HydrophobicContact CB-CD2 4.24Å
278	E	91.4	Very high	79	Confident	16 Å²	16	65.4 Å²	65.4	8%	0.075	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-51	176.8	-174.1	-165.8	165	0	0	111.4	I274 V275 R276 A280 T281 K282 N323 L324	I274-E278 WeakPolarHBondContact O-CB 3.07Å; I274-E278 PolarHBondContact O-N 3.23Å; V275-E278 PolarHBondContact O-N 2.99Å; R276-E278 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 3.48Å; E278-T281 PolarHBondContact O-N 3.44Å; E278-T281 PolarHBondContact O-OG1 3.4Å; E278-K282 HydrophobicContact CG-CD 4.28Å; E278-K282 PolarHBondContact O-N 3.3Å; E278-K282 VanDerWaalsContact O-N 3.17Å; E278-K282 WeakPolarHBondContact OE1-CE 3.24Å; E278-K282 IonicContact OE1-NZ 3.57Å; E278-K282 PolarHBondContact OE1-NZ 3.12Å; E278-N323 HydrophobicContact CG-CB 3.95Å; E278-N323 VanDerWaalsContact OE1-CB 3.31Å; E278-N323 WeakPolarHBondContact OE1-CB 3.44Å; E278-N323 VanDerWaalsContact OE2-CB 3.26Å; E278-N323 WeakPolarHBondContact OE2-CB 3.35Å; E278-N323 PolarHBondContact OE2-ND2 3.41Å; E278-L324 HydrophobicContact CB-CD2 3.92Å
279	C	88.1	Confident	76.5	Confident	78 Å²	78	68.9 Å²	68.9	53%	0.527	35%	0.345	S	S	.	.	H	α-helix	trans	-56.1	-36.3	178.2	-72.7	0	0	0	0	112.7	V275 R276 L277	V275-C279 WeakPolarHBondContact O-CB 3.4Å; V275-C279 PolarHBondContact O-N 3.47Å; V275-C279 PolarHBondContact O-SG 3.39Å; R276-C279 PolarHBondContact O-N 3.32Å; L277-C279 PolarHBondContact O-N 3.07Å
280	A	84.4	Confident	74	Confident	11 Å²	11	76 Å²	76	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-71	-34	178.6	0	0	0	0	0	112.7	V250 R276 L277 E278	V250-A280 HydrophobicContact CG1-CB 3.75Å; V250-A280 VanDerWaalsContact O-CB 3.25Å; V250-A280 WeakPolarHBondContact O-CB 3.43Å; R276-A280 PolarHBondContact O-N 3.32Å; R276-A280 VanDerWaalsContact O-N 3.07Å; L277-A280 PolarHBondContact O-N 3.28Å; E278-A280 PolarHBondContact O-N 3.48Å
281	T	75.7	Confident	71.6	Confident	39 Å²	39	79.6 Å²	79.6	24%	0.239	40%	0.4	C	S	.	.	H	α-helix	trans	-73	-25.6	176.4	66.7	0	0	0	0	113.6	L277 E278 R283	L277-T281 WeakPolarHBondContact O-CG2 3.41Å; L277-T281 PolarHBondContact O-N 3.1Å; E278-T281 PolarHBondContact O-N 3.44Å; E278-T281 PolarHBondContact O-OG1 3.4Å; T281-R283 PolarHBondContact O-N 3.07Å
282	K	72.3	Confident	69	Low	139 Å²	139	82.1 Å²	82.1	60%	0.604	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	11.2	-178.1	-75.8	178.8	166.8	177.7	0	115.1	E278 T284	E278-K282 HydrophobicContact CG-CD 4.28Å; E278-K282 PolarHBondContact O-N 3.3Å; E278-K282 VanDerWaalsContact O-N 3.17Å; E278-K282 WeakPolarHBondContact OE1-CE 3.24Å; E278-K282 IonicContact OE1-NZ 3.57Å; E278-K282 PolarHBondContact OE1-NZ 3.12Å; K282-T284 PolarHBondContact O-N 3.29Å
283	R	54.9	Low	66.8	Low	149 Å²	149	84.2 Å²	84.2	56%	0.562	43%	0.433	S	S	*	.			trans	-70.2	98.2	-171.1	-79.2	-176.9	172.2	-165.7	-4.9	113.8	R251 T281	R251-R283 PolarHBondContact O-NH1 2.91Å; T281-R283 PolarHBondContact O-N 3.07Å
284	T	44.3	Very low	64.5	Low	83 Å²	83	92.4 Å²	92.4	51%	0.509	47%	0.471	S	S	.	.			trans	63.4	111.3	148.6	58.6	0	0	0	0	119.9	K282 E286	K282-T284 PolarHBondContact O-N 3.29Å; T284-E286 PolarHBondContact O-N 3Å
285	P	41.9	Very low	62.1	Low	87 Å²	87	97.2 Å²	97.2	57%	0.565	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-71.1	9.7	174.4	30.8	-34.5	0	0	0	114.4	F287 E288	P285-F287 PolarHBondContact O-N 3.03Å; P285-E288 HydrophobicContact CB-CB 4.4Å; P285-E288 HydrophobicContact CB-CG 4.33Å; P285-E288 PolarHBondContact O-N 3.32Å
286	E	43.7	Very low	59.7	Low	162 Å²	162	104.2 Å²	104.2	76%	0.757	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-59.4	-14.4	175.1	-71	-175	168.7	0	0	113.1	T284	T284-E286 PolarHBondContact O-N 3Å
287	F	46.2	Very low	57.6	Low	140 Å²	140	107.5 Å²	107.5	61%	0.614	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-110.8	-4.2	175.8	-71.7	-74.3	0	0	0	114.3	P285 D289 I291	P285-F287 PolarHBondContact O-N 3.03Å; F287-D289 VanDerWaalsContact C-N 3.33Å; F287-D289 PolarHBondContact O-N 2.98Å; F287-I291 HydrophobicContact CB-CD1 3.71Å; F287-I291 HydrophobicContact CD1-CD1 4.2Å; F287-I291 HydrophobicContact CG-CD1 4.39Å; F287-I291 WeakPolarHBondContact O-CB 3.15Å; F287-I291 WeakPolarHBondContact O-CD1 3.26Å; F287-I291 WeakPolarHBondContact O-CG1 3.39Å
288	E	46.3	Very low	56	Low	156 Å²	156	113.6 Å²	113.6	73%	0.729	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-68.6	-34.4	176	-76.1	-174.2	161.7	0	0	111.4	P285 L290	P285-E288 HydrophobicContact CB-CB 4.4Å; P285-E288 HydrophobicContact CB-CG 4.33Å; P285-E288 PolarHBondContact O-N 3.32Å; E288-L290 PolarHBondContact O-N 3.42Å
289	D	45.6	Very low	54.8	Low	156 Å²	156	116.2 Å²	116.2	83%	0.834	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-83	-4	-173.6	-77.1	-24	0	0	0	115.6	F287	F287-D289 VanDerWaalsContact C-N 3.33Å; F287-D289 PolarHBondContact O-N 2.98Å
290	L	46	Very low	54.5	Low	154 Å²	154	116.5 Å²	116.5	81%	0.806	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-117.3	11.2	172.6	-95	91.9	0	0	0	113.8	E288 N292	E288-L290 PolarHBondContact O-N 3.42Å; L290-N292 PolarHBondContact O-N 2.7Å
291	I	47.4	Very low	54.7	Low	76 Å²	76	116.1 Å²	116.1	39%	0.39	58%	0.581	S	S	.	*			trans	-69.8	94.9	-168.2	-27.7	165	0	0	0	117.8	F287 P293	F287-I291 HydrophobicContact CB-CD1 3.71Å; F287-I291 HydrophobicContact CD1-CD1 4.2Å; F287-I291 HydrophobicContact CG-CD1 4.39Å; F287-I291 WeakPolarHBondContact O-CB 3.15Å; F287-I291 WeakPolarHBondContact O-CD1 3.26Å; F287-I291 WeakPolarHBondContact O-CG1 3.39Å; I291-P293 WeakPolarHBondContact O-CD 3.24Å
292	N	43.7	Very low	55.6	Low	92 Å²	92	114.5 Å²	114.5	49%	0.492	57%	0.571	S	S	.	*			trans	-61.8	121.9	174.3	-164.5	9.5	0	0	0	112.4	L290 E294 I295	L290-N292 PolarHBondContact O-N 2.7Å; N292-E294 PolarHBondContact O-N 3.49Å; N292-I295 PolarHBondContact O-N 3.09Å
293	P	51.2	Low	56.5	Low	116 Å²	116	110.2 Å²	110.2	75%	0.753	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-2.3	-173.2	23.5	-35	0	0	0	116.6	I291	I291-P293 WeakPolarHBondContact O-CD 3.24Å
294	E	49.2	Very low	58.4	Low	173 Å²	173	105.1 Å²	105.1	81%	0.808	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.7	178.7	-69.1	-174.4	162.7	0	0	114.3	N292	N292-E294 PolarHBondContact O-N 3.49Å
295	I	46.9	Very low	60.9	Low	101 Å²	101	101.3 Å²	101.3	52%	0.518	51%	0.512	S	S	.	.	S	Bend	trans	-87.9	115.1	177.1	-55	179.9	0	0	0	108.3	N292 H297	N292-I295 PolarHBondContact O-N 3.09Å; I295-H297 PolarHBondContact O-CD2 3.17Å; I295-H297 PolarHBondContact O-N 3.37Å
296	E	45.3	Very low	63.5	Low	192 Å²	192	98.9 Å²	98.9	90%	0.897	49%	0.492	S	S	*	.			trans	-52.6	98.8	168.3	-136.4	175.5	-164.9	0	0	108.2	H298	E296-H298 PolarHBondContact O-N 3.49Å; E296-H298 VanDerWaalsContact O-N 3.08Å
297	H	50.9	Low	66	Low	133 Å²	133	91.2 Å²	91.2	62%	0.616	46%	0.456	S	S	*	.			trans	-61.6	117	-174.5	-68.8	-79.4	0	0	0	108.9	I295 V299	I295-H297 PolarHBondContact O-CD2 3.17Å; I295-H297 PolarHBondContact O-N 3.37Å; H297-V299 PolarHBondContact O-N 2.84Å
298	H	60.7	Low	68.2	Low	132 Å²	132	84.6 Å²	84.6	61%	0.611	43%	0.427	S	S	*	.			trans	-63.8	112.4	172.9	-163.2	76.2	0	0	0	107.7	E296 I300	E296-H298 PolarHBondContact O-N 3.49Å; E296-H298 VanDerWaalsContact O-N 3.08Å; H298-I300 WeakPolarHBondContact O-CG1 3.48Å; H298-I300 PolarHBondContact O-N 2.93Å; H298-I300 VanDerWaalsContact O-N 3.14Å
299	V	67.1	Low	70.4	Confident	71 Å²	71	80.4 Å²	80.4	43%	0.43	41%	0.407	S	S	.	.			trans	-67.1	114	176.9	178.3	0	0	0	0	107.9	H297 Q303 N326	H297-V299 PolarHBondContact O-N 2.84Å; V299-Q303 HydrophobicContact CG1-CG 4.24Å; V299-Q303 PolarHBondContact O-NE2 2.89Å; V299-N326 HydrophobicContact CG1-CB 4.1Å
300	I	80.9	Confident	72.6	Confident	84 Å²	84	73 Å²	73	43%	0.431	37%	0.367	S	S	.	.			trans	-89.5	137.1	-175.4	-59	-179.7	0	0	0	109.9	G253 H298 N326	G253-I300 VanDerWaalsContact CA-CG2 3.49Å; H298-I300 WeakPolarHBondContact O-CG1 3.48Å; H298-I300 PolarHBondContact O-N 2.93Å; H298-I300 VanDerWaalsContact O-N 3.14Å; I300-N326 PolarHBondContact O-ND2 3.16Å
301	G	88.5	Confident	74.9	Confident	4 Å²	4	67.1 Å²	67.1	4%	0.041	34%	0.336	C	S	.	.	S	Bend	trans	91.6	-169.5	172.1	0	0	0	0	0	115.8	G253 L255 Q303	G253-G301 PolarHBondContact O-N 2.89Å; L255-G301 CarbonylContact O-C 3.48Å; G301-Q303 PolarHBondContact O-N 2.83Å
302	I	93.7	Very high	77.1	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	34%	0.338	C	S	.	.			trans	-64.5	126.9	-171.7	-88.4	-65	0	0	0	111.7	L255 I258 L277 L305 L324 L327	L255-I302 HydrophobicContact CD2-CD1 4.29Å; L255-I302 HydrophobicContact CG-CD1 4.17Å; L255-I302 PolarHBondContact O-N 3.14Å; I258-I302 HydrophobicContact CB-CD1 4.21Å; I258-I302 HydrophobicContact CG2-CD1 3.85Å; L277-I302 HydrophobicContact CD1-CG1 4.07Å; L277-I302 HydrophobicContact CD2-CG1 4.15Å; I302-L305 HydrophobicContact CG2-CB 4.33Å; I302-L324 HydrophobicContact CG2-CD1 4.12Å; I302-L327 HydrophobicContact CG2-CD2 3.5Å; I302-L327 VanDerWaalsContact CG2-CD2 3.5Å; I302-L327 HydrophobicContact CG2-CG 4.46Å
303	Q	93	Very high	79.5	Confident	49 Å²	49	63.5 Å²	63.5	23%	0.229	32%	0.315	C	S	.	.	S	Bend	trans	-118.4	-23.6	175.7	-62.6	176.7	37.1	0	0	111.7	D256 V299 G301 V328 A329	D256-Q303 PolarHBondContact O-N 2.89Å; V299-Q303 HydrophobicContact CG1-CG 4.24Å; V299-Q303 PolarHBondContact O-NE2 2.89Å; G301-Q303 PolarHBondContact O-N 2.83Å; Q303-V328 PolarHBondContact O-N 2.95Å; Q303-A329 PolarHBondContact O-N 3.01Å
304	Q	94.5	Very high	81.7	Confident	43 Å²	43	62.1 Å²	62.1	20%	0.201	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.4	176.2	-49.5	-175.1	25	0	0	110	D256 A257 I258 A329	D256-Q304 PolarHBondContact O-N 3.11Å; A257-Q304 WeakPolarHBondContact CA-O 3.38Å; A257-Q304 HydrophobicContact CB-CB 3.75Å; A257-Q304 HydrophobicContact CB-CG 4.17Å; I258-Q304 PolarHBondContact N-O 2.94Å; Q304-A329 WeakPolarHBondContact CA-O 3.47Å; Q304-A329 HydrophobicContact CB-CB 4.15Å; Q304-A329 HydrophobicContact CG-CB 3.96Å
305	L	96.5	Very high	84	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.6	175	177.2	62.9	0	0	0	108.9	I258 I274 I302 I307 I321 L324 L327 A329 L330 T331	I258-L305 HydrophobicContact CG2-CD1 3.62Å; I274-L305 HydrophobicContact CD1-CD1 4.38Å; I274-L305 HydrophobicContact CD1-CD2 3.61Å; I302-L305 HydrophobicContact CG2-CB 4.33Å; L305-I307 HydrophobicContact CD1-CD1 4.08Å; L305-I307 HydrophobicContact CD1-CG1 3.96Å; L305-I307 HydrophobicContact CD2-CD1 4.43Å; L305-I307 HydrophobicContact CG-CD1 4.34Å; L305-I307 HydrophobicContact CG-CG1 4.23Å; L305-I321 HydrophobicContact CD2-CD1 4.07Å; L305-I321 HydrophobicContact CD2-CG1 4.01Å; L305-I321 HydrophobicContact CD2-CG2 4.04Å; L305-L324 HydrophobicContact CD2-CD1 3.99Å; L305-L327 HydrophobicContact CB-CD1 4.46Å; L305-L327 HydrophobicContact CB-CD2 3.84Å; L305-A329 PolarHBondContact N-O 3.03Å; L305-L330 HydrophobicContact CB-CD1 4.17Å; L305-L330 HydrophobicContact CD2-CD1 4.09Å; L305-L330 HydrophobicContact CG-CD1 4.23Å; L305-L330 CarbonylContact O-C 3.51Å; L305-L330 WeakPolarHBondContact O-CA 3.39Å; L305-T331 PolarHBondContact O-N 3.3Å
306	W	96.3	Very high	86.4	Confident	37 Å²	37	55.4 Å²	55.4	14%	0.14	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.7	175.1	-174.5	-51.2	0	0	0	110	I258 W259 L260 T331	I258-W306 PolarHBondContact O-N 2.78Å; W259-W306 CarbonylContact C-O 3.6Å; W259-W306 WeakPolarHBondContact CA-O 3.3Å; W259-W306 HydrophobicContact CB-CB 4.24Å; W259-W306 AromaticContact CD1-CD2 3.44Å; W259-W306 VanDerWaalsContact CD1-CD2 3.44Å; W259-W306 AromaticContact CD1-CE3 3.52Å; W259-W306 AromaticContact CD1-CG 3.37Å; W259-W306 HydrophobicContact CG-CB 3.89Å; W259-W306 HydrophobicContact CG-CG 4.25Å; W259-W306 AromaticContact NE1-CD2 3.86Å; W259-W306 AromaticContact NE1-CE3 3.41Å; L260-W306 PolarHBondContact N-O 3.21Å; W306-T331 HydrophobicContact CD2-CG2 3.63Å; W306-T331 VanDerWaalsContact CE2-CG2 3.49Å; W306-T331 HydrophobicContact CE3-CG2 4.25Å; W306-T331 HydrophobicContact CG-CG2 3.85Å; W306-T331 HydrophobicContact CZ2-CG2 3.99Å
307	I	96.2	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	115	173.2	-42.8	177.9	0	0	0	107.8	L260 L270 L305 C310 T331 L332 R333	L260-I307 HydrophobicContact CB-CG2 4.45Å; L260-I307 WeakPolarHBondContact O-CA 3.49Å; L270-I307 HydrophobicContact CD1-CD1 3.43Å; L270-I307 VanDerWaalsContact CD1-CD1 3.43Å; L270-I307 HydrophobicContact CD2-CD1 3.71Å; L270-I307 HydrophobicContact CG-CD1 4.21Å; L305-I307 HydrophobicContact CD1-CD1 4.08Å; L305-I307 HydrophobicContact CD1-CG1 3.96Å; L305-I307 HydrophobicContact CD2-CD1 4.43Å; L305-I307 HydrophobicContact CG-CD1 4.34Å; L305-I307 HydrophobicContact CG-CG1 4.23Å; I307-C310 VanDerWaalsContact CB-SG 3.56Å; I307-C310 WeakPolarHBondContact CG2-SG 3.31Å; I307-C310 PolarHBondContact O-SG 2.9Å; I307-C310 VanDerWaalsContact O-SG 3.38Å; I307-T331 PolarHBondContact N-O 3.32Å; I307-L332 HydrophobicContact CB-CD2 4.1Å; I307-L332 HydrophobicContact CD1-CD2 4.07Å; I307-L332 HydrophobicContact CG1-CD2 4.2Å; I307-R333 PolarHBondContact O-N 3.43Å; I307-R333 VanDerWaalsContact O-N 3.13Å
308	S	92.7	Very high	91	Very high	1 Å²	1	40 Å²	40	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	162.5	171.8	58.9	0	0	0	0	110.1	D231 L260 G262 C310	D231-S308 WeakPolarHBondContact OD1-CB 3.49Å; D231-S308 PolarHBondContact OD1-OG 3.01Å; L260-S308 PolarHBondContact O-N 2.93Å; L260-S308 PolarHBondContact O-OG 2.7Å; G262-S308 WeakPolarHBondContact CA-O 3.36Å; G262-S308 PolarHBondContact N-O 2.9Å; S308-C310 PolarHBondContact O-N 2.95Å
309	F	93.2	Very high	92.6	Very high	69 Å²	69	38 Å²	38	30%	0.303	18%	0.183	S	C	.	.			trans	53.2	45.4	174.2	-53.2	-81.5	0	0	0	114.5	D261 G262 F263 D311 R333 K334	D261-F309 WeakPolarHBondContact OD2-CD2 3.19Å; G262-F309 CarbonylContact C-O 3.56Å; F263-F309 HydrophobicContact CB-CB 4.17Å; F263-F309 PolarHBondContact N-O 3.38Å; F309-D311 PolarHBondContact O-N 3.14Å; F309-R333 PolarHBondContact N-O 3.32Å; F309-K334 HydrophobicContact CD1-CD 3.67Å; F309-K334 HydrophobicContact CE1-CD 4.18Å
310	C	91.7	Very high	94	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.			trans	-76.3	40.1	179.9	-61.5	0	0	0	0	113.8	I307 S308 H312 V313 R333 K334 T335	I307-C310 VanDerWaalsContact CB-SG 3.56Å; I307-C310 WeakPolarHBondContact CG2-SG 3.31Å; I307-C310 PolarHBondContact O-SG 2.9Å; I307-C310 VanDerWaalsContact O-SG 3.38Å; S308-C310 PolarHBondContact O-N 2.95Å; C310-H312 PolarHBondContact O-N 2.98Å; C310-V313 HydrophobicContact CB-CB 3.95Å; C310-V313 HydrophobicContact CB-CG2 3.64Å; C310-V313 PolarHBondContact O-N 2.93Å; C310-V313 VanDerWaalsContact O-N 3.17Å; C310-R333 WeakPolarHBondContact CB-O 3.42Å; C310-R333 PolarHBondContact N-O 2.84Å; C310-K334 CarbonylContact C-O 3.54Å; C310-K334 VanDerWaalsContact O-O 3.1Å; C310-T335 HydrophobicContact CB-CG2 3.91Å
311	D	92.9	Very high	94.7	Very high	31 Å²	31	31.3 Å²	31.3	17%	0.166	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.3	-172.2	-70.4	-89.9	0	0	0	113.4	F309 K334 H336 Q337	F309-D311 PolarHBondContact O-N 3.14Å; D311-K334 WeakPolarHBondContact CA-O 3.22Å; D311-K334 PolarHBondContact N-O 3.23Å; D311-H336 IonicContact OD1-CE1 3.63Å; D311-H336 PolarHBondContact OD1-CE1 2.92Å; D311-H336 IonicContact OD1-CG 3.34Å; D311-H336 IonicContact OD1-ND1 2.69Å; D311-H336 PolarHBondContact OD1-ND1 3.46Å; D311-Q337 WeakPolarHBondContact O-CG 3.49Å; D311-Q337 PolarHBondContact O-NE2 3.13Å
312	H	94.1	Very high	94.9	Very high	91 Å²	91	31.3 Å²	31.3	42%	0.421	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	4.8	-179.4	-58.8	-50.9	0	0	0	114.1	F263 N267 C310	F263-H312 PolarHBondContact O-CD2 2.9Å; N267-H312 WeakPolarHBondContact CB-O 3.47Å; N267-H312 PolarHBondContact N-O 2.86Å; C310-H312 PolarHBondContact O-N 2.98Å
313	V	94.6	Very high	94.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	16%	0.161	C	C	.	.			trans	-83.8	134.6	178	179.9	0	0	0	0	109.5	L270 C310 A317 V318 V338	L270-V313 HydrophobicContact CD2-CB 4.41Å; L270-V313 HydrophobicContact CD2-CG1 3.93Å; L270-V313 HydrophobicContact CD2-CG2 3.51Å; C310-V313 HydrophobicContact CB-CB 3.95Å; C310-V313 HydrophobicContact CB-CG2 3.64Å; C310-V313 PolarHBondContact O-N 2.93Å; C310-V313 VanDerWaalsContact O-N 3.17Å; V313-A317 HydrophobicContact CG1-CB 3.93Å; V313-V318 HydrophobicContact CG1-CG2 3.99Å; V313-V338 HydrophobicContact CG1-CG2 4.36Å; V313-V338 VanDerWaalsContact O-CG2 3.29Å; V313-V338 WeakPolarHBondContact O-CG2 3.22Å
314	E	97.4	Very high	94.8	Very high	86 Å²	86	31.9 Å²	31.9	40%	0.402	15%	0.152	S	C	.	.			trans	-117.9	179.9	179.5	-56.1	171.5	-164	0	0	110.8	N267 E316 A317 V318 Q337	N267-E314 HydrophobicContact CB-CB 4.34Å; N267-E314 HydrophobicContact CB-CG 4.16Å; N267-E314 PolarHBondContact OD1-N 3.24Å; N267-E314 PolarHBondContact OD1-O 3.38Å; E314-E316 PolarHBondContact O-N 3.44Å; E314-E316 VanDerWaalsContact O-N 3.15Å; E314-A317 PolarHBondContact O-N 2.64Å; E314-V318 PolarHBondContact O-N 3.32Å; E314-Q337 HydrophobicContact CG-CB 4.19Å
315	D	97.7	Very high	94.4	Very high	32 Å²	32	32.8 Å²	32.8	17%	0.171	16%	0.163	C	C	.	.	H	α-helix	trans	-55.3	-33.2	-176.3	-70.5	5.9	0	0	0	114	V318 K319 V338 S339 G342	D315-V318 PolarHBondContact O-N 2.81Å; D315-K319 VanDerWaalsContact O-CG 3.26Å; D315-K319 WeakPolarHBondContact O-CG 3.46Å; D315-K319 PolarHBondContact O-N 3.25Å; D315-V338 WeakPolarHBondContact OD1-CA 3.5Å; D315-V338 WeakPolarHBondContact OD1-CG1 3.28Å; D315-S339 VanDerWaalsContact CG-OG 3.3Å; D315-S339 PolarHBondContact OD1-N 2.89Å; D315-S339 PolarHBondContact OD1-OG 2.91Å; D315-S339 WeakPolarHBondContact OD2-CB 3.22Å; D315-S339 PolarHBondContact OD2-OG 3.08Å; D315-G342 VanDerWaalsContact CG-CA 3.43Å; D315-G342 WeakPolarHBondContact OD1-CA 3.44Å
316	E	96.2	Very high	94.1	Very high	102 Å²	102	35.4 Å²	35.4	48%	0.477	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-47.5	-176.8	-67.9	-58.1	116.1	0	0	112.5	N271 E314 V318 K319 S320	N271-E316 PolarHBondContact OD1-O 3.03Å; E314-E316 PolarHBondContact O-N 3.44Å; E314-E316 VanDerWaalsContact O-N 3.15Å; E316-V318 VanDerWaalsContact C-N 3.29Å; E316-V318 PolarHBondContact O-N 3.11Å; E316-K319 PolarHBondContact O-N 3.48Å; E316-K319 IonicContact OE1-NZ 3.96Å; E316-K319 PolarHBondContact OE1-NZ 2.87Å; E316-S320 PolarHBondContact O-N 3.42Å; E316-S320 VanDerWaalsContact O-N 3.16Å; E316-S320 PolarHBondContact O-OG 2.99Å
317	A	96.7	Very high	93.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-38.3	175.4	0	0	0	0	0	111.6	N267 L270 N271 V313 E314 S320 I321	N267-A317 WeakPolarHBondContact OD1-CB 3.43Å; N267-A317 PolarHBondContact OD1-N 2.95Å; L270-A317 HydrophobicContact CB-CB 4.48Å; L270-A317 HydrophobicContact CD2-CB 4.25Å; L270-A317 HydrophobicContact CG-CB 4.27Å; N271-A317 HydrophobicContact CB-CB 4.04Å; V313-A317 HydrophobicContact CG1-CB 3.93Å; E314-A317 PolarHBondContact O-N 2.64Å; A317-S320 WeakPolarHBondContact O-CB 3.48Å; A317-S320 PolarHBondContact O-N 2.94Å; A317-I321 WeakPolarHBondContact O-CG1 3.01Å; A317-I321 PolarHBondContact O-N 3.13Å; A317-I321 VanDerWaalsContact O-N 3.09Å
318	V	97	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.1	174.6	0	0	0	0	111.7	V313 E314 D315 E316 S320 I321 A322 V338 G342 L346	V313-V318 HydrophobicContact CG1-CG2 3.99Å; E314-V318 PolarHBondContact O-N 3.32Å; D315-V318 PolarHBondContact O-N 2.81Å; E316-V318 VanDerWaalsContact C-N 3.29Å; E316-V318 PolarHBondContact O-N 3.11Å; V318-S320 VanDerWaalsContact C-N 3.27Å; V318-S320 PolarHBondContact O-N 3.19Å; V318-I321 WeakPolarHBondContact O-CB 3.42Å; V318-I321 PolarHBondContact O-N 3.37Å; V318-I321 VanDerWaalsContact O-N 3.15Å; V318-A322 PolarHBondContact O-N 3.45Å; V318-V338 HydrophobicContact CB-CG1 4.34Å; V318-V338 HydrophobicContact CG1-CG1 4.36Å; V318-V338 HydrophobicContact CG2-CB 4.49Å; V318-V338 HydrophobicContact CG2-CG1 3.87Å; V318-V338 HydrophobicContact CG2-CG2 3.72Å; V318-G342 VanDerWaalsContact CG1-O 3.29Å; V318-G342 WeakPolarHBondContact CG1-O 3.24Å; V318-L346 HydrophobicContact CG1-CD1 3.82Å; V318-L346 HydrophobicContact CG1-CD2 3.72Å; V318-L346 HydrophobicContact CG1-CG 3.51Å; V318-L346 VanDerWaalsContact O-CD2 3.31Å; V318-L346 WeakPolarHBondContact O-CD2 3.32Å
319	K	94.6	Very high	94	Very high	90 Å²	90	36.4 Å²	36.4	39%	0.391	19%	0.189	S	C	.	.	H	α-helix	trans	-59.1	-39.3	173.3	-75.2	168.3	-168.4	168.9	0	111.9	D315 E316 A322 S345	D315-K319 VanDerWaalsContact O-CG 3.26Å; D315-K319 WeakPolarHBondContact O-CG 3.46Å; D315-K319 PolarHBondContact O-N 3.25Å; E316-K319 PolarHBondContact O-N 3.48Å; E316-K319 IonicContact OE1-NZ 3.96Å; E316-K319 PolarHBondContact OE1-NZ 2.87Å; K319-A322 WeakPolarHBondContact O-CB 3.15Å; K319-A322 PolarHBondContact O-N 2.78Å; K319-S345 VanDerWaalsContact CG-OG 3.27Å; K319-S345 WeakPolarHBondContact CG-OG 3.34Å
320	S	95	Very high	94.2	Very high	16 Å²	16	33.1 Å²	33.1	11%	0.112	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-35.8	176.6	-67.2	0	0	0	0	112.3	N271 I274 E316 A317 V318 A322 N323	N271-S320 WeakPolarHBondContact OD1-CB 3.19Å; N271-S320 PolarHBondContact OD1-OG 3.29Å; I274-S320 VanDerWaalsContact CG2-C 3.48Å; I274-S320 WeakPolarHBondContact CG2-O 3.45Å; E316-S320 PolarHBondContact O-N 3.42Å; E316-S320 VanDerWaalsContact O-N 3.16Å; E316-S320 PolarHBondContact O-OG 2.99Å; A317-S320 WeakPolarHBondContact O-CB 3.48Å; A317-S320 PolarHBondContact O-N 2.94Å; V318-S320 VanDerWaalsContact C-N 3.27Å; V318-S320 PolarHBondContact O-N 3.19Å; S320-A322 PolarHBondContact O-N 3.31Å; S320-N323 WeakPolarHBondContact O-CB 3.43Å; S320-N323 PolarHBondContact O-N 2.59Å
321	I	96.1	Very high	94.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-34	174.4	-66.7	170.6	0	0	0	111	I274 L305 A317 V318 N323 L324 L327 L330 L332 L346	I274-I321 HydrophobicContact CD1-CG1 3.9Å; I274-I321 HydrophobicContact CG1-CG1 3.86Å; I274-I321 HydrophobicContact CG2-CG1 4.13Å; L305-I321 HydrophobicContact CD2-CD1 4.07Å; L305-I321 HydrophobicContact CD2-CG1 4.01Å; L305-I321 HydrophobicContact CD2-CG2 4.04Å; A317-I321 WeakPolarHBondContact O-CG1 3.01Å; A317-I321 PolarHBondContact O-N 3.13Å; A317-I321 VanDerWaalsContact O-N 3.09Å; V318-I321 WeakPolarHBondContact O-CB 3.42Å; V318-I321 PolarHBondContact O-N 3.37Å; V318-I321 VanDerWaalsContact O-N 3.15Å; I321-N323 PolarHBondContact O-N 3.26Å; I321-L324 WeakPolarHBondContact O-CB 3.47Å; I321-L324 PolarHBondContact O-N 2.75Å; I321-L327 HydrophobicContact CG2-CD1 4.08Å; I321-L330 HydrophobicContact CG2-CD1 3.94Å; I321-L330 HydrophobicContact CG2-CD2 4.16Å; I321-L332 HydrophobicContact CD1-CD1 3.9Å; I321-L332 HydrophobicContact CD1-CD2 3.85Å; I321-L332 HydrophobicContact CD1-CG 4.49Å; I321-L346 HydrophobicContact CB-CD2 3.88Å; I321-L346 HydrophobicContact CG2-CD2 3.74Å
322	A	93.9	Very high	94.6	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18	177.2	0	0	0	0	0	113.7	V318 K319 S320 S345 K360	V318-A322 PolarHBondContact O-N 3.45Å; K319-A322 WeakPolarHBondContact O-CB 3.15Å; K319-A322 PolarHBondContact O-N 2.78Å; S320-A322 PolarHBondContact O-N 3.31Å; A322-S345 VanDerWaalsContact CB-O 3.3Å; A322-S345 WeakPolarHBondContact CB-O 3.28Å; A322-K360 HydrophobicContact CB-CB 4.2Å; A322-K360 HydrophobicContact CB-CG 4.12Å
323	N	91.5	Very high	94.7	Very high	59 Å²	59	30.3 Å²	30.3	32%	0.316	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.1	176.5	-61.3	-27.7	0	0	0	113.9	E278 S320 I321 S325	E278-N323 HydrophobicContact CG-CB 3.95Å; E278-N323 VanDerWaalsContact OE1-CB 3.31Å; E278-N323 WeakPolarHBondContact OE1-CB 3.44Å; E278-N323 VanDerWaalsContact OE2-CB 3.26Å; E278-N323 WeakPolarHBondContact OE2-CB 3.35Å; E278-N323 PolarHBondContact OE2-ND2 3.41Å; S320-N323 WeakPolarHBondContact O-CB 3.43Å; S320-N323 PolarHBondContact O-N 2.59Å; I321-N323 PolarHBondContact O-N 3.26Å; N323-S325 PolarHBondContact O-N 2.88Å
324	L	92.4	Very high	94.8	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	17%	0.168	C	C	.	.			trans	-76.4	66.3	174.9	-58.4	-178.3	0	0	0	110.4	I274 L277 E278 I302 L305 I321 N326 L327 L361	I274-L324 HydrophobicContact CD1-CD1 4.06Å; I274-L324 HydrophobicContact CG2-CD1 4.07Å; I274-L324 HydrophobicContact CG2-CD2 4.41Å; I274-L324 HydrophobicContact CG2-CG 4.13Å; L277-L324 HydrophobicContact CB-CD2 4.24Å; E278-L324 HydrophobicContact CB-CD2 3.92Å; I302-L324 HydrophobicContact CG2-CD1 4.12Å; L305-L324 HydrophobicContact CD2-CD1 3.99Å; I321-L324 WeakPolarHBondContact O-CB 3.47Å; I321-L324 PolarHBondContact O-N 2.75Å; L324-N326 PolarHBondContact O-N 2.93Å; L324-L327 HydrophobicContact CB-CD1 3.73Å; L324-L327 HydrophobicContact CB-CG 3.79Å; L324-L327 HydrophobicContact CD1-CD1 4.21Å; L324-L327 WeakPolarHBondContact O-CB 3.43Å; L324-L327 VanDerWaalsContact O-CG 3.31Å; L324-L327 WeakPolarHBondContact O-CG 3.42Å; L324-L327 PolarHBondContact O-N 2.89Å; L324-L361 WeakPolarHBondContact O-CD2 3.26Å
325	S	86.9	Confident	94.7	Very high	63 Å²	63	28.4 Å²	28.4	44%	0.441	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	-168	61.2	0	0	0	0	115.4	N323 Y363	N323-S325 PolarHBondContact O-N 2.88Å; S325-Y363 WeakPolarHBondContact O-CD2 3.48Å
326	N	88.6	Confident	94.6	Very high	56 Å²	56	31.4 Å²	31.4	30%	0.299	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	2.3	177.3	-67.1	-25.7	0	0	0	113.8	V299 I300 L324 V328	V299-N326 HydrophobicContact CG1-CB 4.1Å; I300-N326 PolarHBondContact O-ND2 3.16Å; L324-N326 PolarHBondContact O-N 2.93Å; N326-V328 PolarHBondContact O-N 2.86Å
327	L	93.7	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.			trans	-61.4	129.1	178.9	-77.3	176.8	0	0	0	112	I302 L305 I321 L324 L330 L361 Y363 L364	I302-L327 HydrophobicContact CG2-CD2 3.5Å; I302-L327 VanDerWaalsContact CG2-CD2 3.5Å; I302-L327 HydrophobicContact CG2-CG 4.46Å; L305-L327 HydrophobicContact CB-CD1 4.46Å; L305-L327 HydrophobicContact CB-CD2 3.84Å; I321-L327 HydrophobicContact CG2-CD1 4.08Å; L324-L327 HydrophobicContact CB-CD1 3.73Å; L324-L327 HydrophobicContact CB-CG 3.79Å; L324-L327 HydrophobicContact CD1-CD1 4.21Å; L324-L327 WeakPolarHBondContact O-CB 3.43Å; L324-L327 VanDerWaalsContact O-CG 3.31Å; L324-L327 WeakPolarHBondContact O-CG 3.42Å; L324-L327 PolarHBondContact O-N 2.89Å; L327-L330 HydrophobicContact CD1-CD1 4.34Å; L327-L361 HydrophobicContact CB-CD2 4.3Å; L327-L361 HydrophobicContact CD1-CD1 4.39Å; L327-L361 HydrophobicContact CD1-CD2 4.1Å; L327-Y363 CarbonylContact O-C 3.46Å; L327-L364 HydrophobicContact CB-CD2 4.04Å; L327-L364 PolarHBondContact O-N 3.27Å
328	V	94.1	Very high	94.7	Very high	43 Å²	43	31.3 Å²	31.3	26%	0.261	16%	0.162	S	C	.	.	S	Bend	trans	-107	-28.1	172.1	180	0	0	0	0	110.5	Q303 N326 E365 H366	Q303-V328 PolarHBondContact O-N 2.95Å; N326-V328 PolarHBondContact O-N 2.86Å; V328-E365 HydrophobicContact CG1-CB 4Å; V328-E365 HydrophobicContact CG1-CG 4.02Å; V328-E365 PolarHBondContact O-N 3.06Å; V328-H366 PolarHBondContact O-N 2.98Å; V328-H366 VanDerWaalsContact O-N 3.07Å
329	A	95.3	Very high	94.7	Very high	17 Å²	17	32.9 Å²	32.9	14%	0.14	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.6	175.8	0	0	0	0	0	111.7	Q303 Q304 L305 H366	Q303-A329 PolarHBondContact O-N 3.01Å; Q304-A329 WeakPolarHBondContact CA-O 3.47Å; Q304-A329 HydrophobicContact CB-CB 4.15Å; Q304-A329 HydrophobicContact CG-CB 3.96Å; L305-A329 PolarHBondContact N-O 3.03Å; A329-H366 WeakPolarHBondContact CA-O 3.36Å; A329-H366 HydrophobicContact CB-CB 3.8Å
330	L	97.2	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.2	174	-179.7	62.2	0	0	0	110.3	L305 I321 L327 L332 L346 L361 L364 H366 L367 D368	L305-L330 HydrophobicContact CB-CD1 4.17Å; L305-L330 HydrophobicContact CD2-CD1 4.09Å; L305-L330 HydrophobicContact CG-CD1 4.23Å; L305-L330 CarbonylContact O-C 3.51Å; L305-L330 WeakPolarHBondContact O-CA 3.39Å; I321-L330 HydrophobicContact CG2-CD1 3.94Å; I321-L330 HydrophobicContact CG2-CD2 4.16Å; L327-L330 HydrophobicContact CD1-CD1 4.34Å; L330-L332 HydrophobicContact CD1-CD1 4.19Å; L330-L332 HydrophobicContact CD1-CD2 4.21Å; L330-L332 HydrophobicContact CD1-CG 3.85Å; L330-L332 HydrophobicContact CD2-CD1 4.16Å; L330-L332 HydrophobicContact CD2-CG 4.48Å; L330-L332 HydrophobicContact CG-CD1 4.36Å; L330-L332 HydrophobicContact CG-CG 4.14Å; L330-L346 HydrophobicContact CD2-CD1 4.1Å; L330-L346 HydrophobicContact CD2-CD2 4.18Å; L330-L361 HydrophobicContact CD2-CD1 3.79Å; L330-L364 HydrophobicContact CB-CD1 4.42Å; L330-L364 HydrophobicContact CB-CD2 3.85Å; L330-H366 PolarHBondContact N-O 3.2Å; L330-L367 HydrophobicContact CB-CD1 4.19Å; L330-L367 HydrophobicContact CD2-CD1 4.3Å; L330-L367 HydrophobicContact CG-CD1 4.4Å; L330-L367 WeakPolarHBondContact O-CA 3.42Å; L330-D368 PolarHBondContact O-N 3.22Å
331	T	96.4	Very high	95	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.4	168.6	-59.4	0	0	0	0	109.3	L305 W306 I307 R333 D368	L305-T331 PolarHBondContact O-N 3.3Å; W306-T331 HydrophobicContact CD2-CG2 3.63Å; W306-T331 VanDerWaalsContact CE2-CG2 3.49Å; W306-T331 HydrophobicContact CE3-CG2 4.25Å; W306-T331 HydrophobicContact CG-CG2 3.85Å; W306-T331 HydrophobicContact CZ2-CG2 3.99Å; I307-T331 PolarHBondContact N-O 3.32Å; T331-R333 HydrophobicContact CG2-CG 3.84Å; T331-D368 WeakPolarHBondContact CA-O 3.13Å; T331-D368 HydrophobicContact CG2-CB 3.82Å
332	L	97.2	Very high	95	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	100.1	172.3	-62.8	176.1	0	0	0	107.7	I307 I321 L330 T335 L346 D368 L369	I307-L332 HydrophobicContact CB-CD2 4.1Å; I307-L332 HydrophobicContact CD1-CD2 4.07Å; I307-L332 HydrophobicContact CG1-CD2 4.2Å; I321-L332 HydrophobicContact CD1-CD1 3.9Å; I321-L332 HydrophobicContact CD1-CD2 3.85Å; I321-L332 HydrophobicContact CD1-CG 4.49Å; L330-L332 HydrophobicContact CD1-CD1 4.19Å; L330-L332 HydrophobicContact CD1-CD2 4.21Å; L330-L332 HydrophobicContact CD1-CG 3.85Å; L330-L332 HydrophobicContact CD2-CD1 4.16Å; L330-L332 HydrophobicContact CD2-CG 4.48Å; L330-L332 HydrophobicContact CG-CD1 4.36Å; L330-L332 HydrophobicContact CG-CG 4.14Å; L332-T335 HydrophobicContact CB-CG2 3.83Å; L332-L346 HydrophobicContact CD1-CD1 4.1Å; L332-D368 PolarHBondContact N-O 3.48Å; L332-L369 HydrophobicContact CB-CD2 4.04Å; L332-L369 WeakPolarHBondContact O-CA 3.36Å
333	R	96.6	Very high	95.2	Very high	52 Å²	52	34.6 Å²	34.6	20%	0.196	19%	0.191	C	C	.	.			trans	-103.2	147.7	-178.2	-68.1	-176.2	58	-143.7	-2.1	111.3	I307 F309 C310 T331 S370 E371	I307-R333 PolarHBondContact O-N 3.43Å; I307-R333 VanDerWaalsContact O-N 3.13Å; F309-R333 PolarHBondContact N-O 3.32Å; C310-R333 WeakPolarHBondContact CB-O 3.42Å; C310-R333 PolarHBondContact N-O 2.84Å; T331-R333 HydrophobicContact CG2-CG 3.84Å; R333-S370 VanDerWaalsContact CA-O 3.29Å; R333-S370 WeakPolarHBondContact CA-O 3.29Å; R333-E371 IonicContact CZ-OE1 3.91Å; R333-E371 IonicContact NE-OE1 3.17Å; R333-E371 IonicContact NH2-OE1 2.74Å; R333-E371 PolarHBondContact NH2-OE1 3.37Å
334	K	96.2	Very high	95.4	Very high	47 Å²	47	32.2 Å²	32.2	20%	0.204	18%	0.179	C	C	.	.			trans	59.8	42.7	178	-63.6	-175.1	162.9	-169.3	0	113.8	F309 C310 D311 H336 S370 E371	F309-K334 HydrophobicContact CD1-CD 3.67Å; F309-K334 HydrophobicContact CE1-CD 4.18Å; C310-K334 CarbonylContact C-O 3.54Å; C310-K334 VanDerWaalsContact O-O 3.1Å; D311-K334 WeakPolarHBondContact CA-O 3.22Å; D311-K334 PolarHBondContact N-O 3.23Å; K334-H336 PolarHBondContact O-N 3.47Å; K334-S370 PolarHBondContact N-O 3.1Å; K334-S370 VanDerWaalsContact N-O 3.1Å; K334-E371 WeakPolarHBondContact CA-O 3.49Å; K334-E371 WeakPolarHBondContact CE-OE2 3.37Å; K334-E371 HydrophobicContact CG-CB 3.84Å; K334-E371 HydrophobicContact CG-CG 4.49Å; K334-E371 PolarHBondContact N-O 2.74Å; K334-E371 IonicContact NZ-OE2 3.7Å
335	T	96.1	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.			trans	-77.9	62.3	177.1	58.8	0	0	0	0	111.3	C310 L332 Q337 V338 A372	C310-T335 HydrophobicContact CB-CG2 3.91Å; L332-T335 HydrophobicContact CB-CG2 3.83Å; T335-Q337 VanDerWaalsContact C-N 3.28Å; T335-Q337 PolarHBondContact O-N 3.1Å; T335-V338 HydrophobicContact CG2-CG2 4.18Å; T335-V338 PolarHBondContact O-N 3.38Å; T335-A372 WeakPolarHBondContact OG1-CB 3.48Å
336	H	95.3	Very high	96	Very high	95 Å²	95	29.9 Å²	29.9	44%	0.44	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.7	-171.3	-71.1	158.7	0	0	0	114.3	D311 K334	D311-H336 IonicContact OD1-CE1 3.63Å; D311-H336 PolarHBondContact OD1-CE1 2.92Å; D311-H336 IonicContact OD1-CG 3.34Å; D311-H336 IonicContact OD1-ND1 2.69Å; D311-H336 PolarHBondContact OD1-ND1 3.46Å; K334-H336 PolarHBondContact O-N 3.47Å
337	Q	96.9	Very high	96.4	Very high	95 Å²	95	27.2 Å²	27.2	44%	0.444	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.1	-179.7	-59.3	-173.9	49	0	0	113.4	D311 E314 T335	D311-Q337 WeakPolarHBondContact O-CG 3.49Å; D311-Q337 PolarHBondContact O-NE2 3.13Å; E314-Q337 HydrophobicContact CG-CB 4.19Å; T335-Q337 VanDerWaalsContact C-N 3.28Å; T335-Q337 PolarHBondContact O-N 3.1Å
338	V	97.9	Very high	96.2	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.024	15%	0.152	C	C	.	.			trans	-87.7	123.1	178.2	-172.9	0	0	0	0	109.3	V313 D315 V318 T335 L343	V313-V338 HydrophobicContact CG1-CG2 4.36Å; V313-V338 VanDerWaalsContact O-CG2 3.29Å; V313-V338 WeakPolarHBondContact O-CG2 3.22Å; D315-V338 WeakPolarHBondContact OD1-CA 3.5Å; D315-V338 WeakPolarHBondContact OD1-CG1 3.28Å; V318-V338 HydrophobicContact CB-CG1 4.34Å; V318-V338 HydrophobicContact CG1-CG1 4.36Å; V318-V338 HydrophobicContact CG2-CB 4.49Å; V318-V338 HydrophobicContact CG2-CG1 3.87Å; V318-V338 HydrophobicContact CG2-CG2 3.72Å; T335-V338 HydrophobicContact CG2-CG2 4.18Å; T335-V338 PolarHBondContact O-N 3.38Å; V338-L343 HydrophobicContact CB-CD2 4.43Å; V338-L343 HydrophobicContact CB-CG 4.46Å; V338-L343 HydrophobicContact CG1-CD2 3.79Å; V338-L343 HydrophobicContact CG1-CG 3.72Å
339	S	97.9	Very high	95.6	Very high	34 Å²	34	27.9 Å²	27.9	24%	0.238	16%	0.155	C	C	.	.			trans	-73.2	163.1	178.2	79.7	0	0	0	0	111.4	D315 T341 G342 L343	D315-S339 VanDerWaalsContact CG-OG 3.3Å; D315-S339 PolarHBondContact OD1-N 2.89Å; D315-S339 PolarHBondContact OD1-OG 2.91Å; D315-S339 WeakPolarHBondContact OD2-CB 3.22Å; D315-S339 PolarHBondContact OD2-OG 3.08Å; S339-T341 PolarHBondContact O-N 3.33Å; S339-T341 PolarHBondContact OG-N 3.02Å; S339-T341 PolarHBondContact OG-OG1 2.97Å; S339-G342 WeakPolarHBondContact O-CA 3.35Å; S339-G342 PolarHBondContact O-N 3.48Å; S339-G342 PolarHBondContact OG-N 3.16Å; S339-L343 PolarHBondContact O-N 3.29Å
340	P	98	Very high	94.3	Very high	50 Å²	50	34.2 Å²	34.2	33%	0.325	18%	0.179	S	C	.	.	H	α-helix	trans	-55	-38.7	170	-23.5	31.2	0	0	0	112.6	G342 L343 S344 G374 V379	P340-G342 VanDerWaalsContact C-N 3.34Å; P340-G342 PolarHBondContact O-N 3.28Å; P340-L343 PolarHBondContact O-N 3.17Å; P340-S344 WeakPolarHBondContact O-CB 3.3Å; P340-S344 PolarHBondContact O-N 3.47Å; P340-S344 PolarHBondContact O-OG 2.99Å; P340-G374 WeakPolarHBondContact CA-O 3.42Å; P340-G374 VanDerWaalsContact CB-O 3.27Å; P340-G374 WeakPolarHBondContact CB-O 3.24Å; P340-G374 VanDerWaalsContact CG-O 3.3Å; P340-G374 WeakPolarHBondContact CG-O 3.42Å; P340-V379 HydrophobicContact CB-CG2 4.06Å; P340-V379 WeakPolarHBondContact O-CG2 3.21Å
341	T	96.3	Very high	92.4	Very high	95 Å²	95	36.7 Å²	36.7	58%	0.583	20%	0.197	S	C	*	.	H	α-helix	trans	-67.3	-34.1	176.1	42.7	0	0	0	0	113	S339 S345	S339-T341 PolarHBondContact O-N 3.33Å; S339-T341 PolarHBondContact OG-N 3.02Å; S339-T341 PolarHBondContact OG-OG1 2.97Å; T341-S345 PolarHBondContact O-N 3.02Å
342	G	96.5	Very high	90.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-50.8	172	0	0	0	0	0	111.5	D315 V318 S339 P340 S345	D315-G342 VanDerWaalsContact CG-CA 3.43Å; D315-G342 WeakPolarHBondContact OD1-CA 3.44Å; V318-G342 VanDerWaalsContact CG1-O 3.29Å; V318-G342 WeakPolarHBondContact CG1-O 3.24Å; S339-G342 WeakPolarHBondContact O-CA 3.35Å; S339-G342 PolarHBondContact O-N 3.48Å; S339-G342 PolarHBondContact OG-N 3.16Å; P340-G342 VanDerWaalsContact C-N 3.34Å; P340-G342 PolarHBondContact O-N 3.28Å; G342-S345 VanDerWaalsContact O-CB 3.32Å; G342-S345 WeakPolarHBondContact O-CB 3.38Å; G342-S345 PolarHBondContact O-N 2.74Å; G342-S345 VanDerWaalsContact O-N 3.16Å; G342-S345 PolarHBondContact O-OG 2.87Å
343	L	97.7	Very high	88.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-42.9	177.1	-68.1	175.6	0	0	0	112.5	V338 S339 P340 S345 L346 F347 A372 L375 V379	V338-L343 HydrophobicContact CB-CD2 4.43Å; V338-L343 HydrophobicContact CB-CG 4.46Å; V338-L343 HydrophobicContact CG1-CD2 3.79Å; V338-L343 HydrophobicContact CG1-CG 3.72Å; S339-L343 PolarHBondContact O-N 3.29Å; P340-L343 PolarHBondContact O-N 3.17Å; L343-S345 PolarHBondContact O-N 3.18Å; L343-S345 VanDerWaalsContact O-N 3.15Å; L343-L346 HydrophobicContact CD2-CD1 4.4Å; L343-L346 VanDerWaalsContact O-CB 3.32Å; L343-L346 WeakPolarHBondContact O-CB 3.21Å; L343-L346 PolarHBondContact O-N 2.95Å; L343-L346 VanDerWaalsContact O-N 3.12Å; L343-F347 WeakPolarHBondContact O-CD2 3.35Å; L343-F347 WeakPolarHBondContact O-CE2 3.36Å; L343-A372 HydrophobicContact CD1-CB 4.14Å; L343-L375 HydrophobicContact CD1-CB 4.08Å; L343-L375 HydrophobicContact CD1-CD1 4.45Å; L343-V379 HydrophobicContact CB-CG1 3.8Å; L343-V379 HydrophobicContact CB-CG2 4.33Å
344	S	96.9	Very high	86.5	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-32.2	174.8	-77.5	0	0	0	0	112.7	P340 L346 F347 V348 D382	P340-S344 WeakPolarHBondContact O-CB 3.3Å; P340-S344 PolarHBondContact O-N 3.47Å; P340-S344 PolarHBondContact O-OG 2.99Å; S344-L346 PolarHBondContact O-N 2.93Å; S344-F347 PolarHBondContact O-N 2.81Å; S344-V348 PolarHBondContact O-N 3.25Å; S344-D382 WeakPolarHBondContact CB-OD2 3.32Å; S344-D382 PolarHBondContact OG-OD2 2.82Å
345	S	95.3	Very high	84.2	Confident	20 Å²	20	58.4 Å²	58.4	14%	0.14	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.4	-179	80.5	0	0	0	0	114	K319 A322 T341 G342 L343 F347	K319-S345 VanDerWaalsContact CG-OG 3.27Å; K319-S345 WeakPolarHBondContact CG-OG 3.34Å; A322-S345 VanDerWaalsContact CB-O 3.3Å; A322-S345 WeakPolarHBondContact CB-O 3.28Å; T341-S345 PolarHBondContact O-N 3.02Å; G342-S345 VanDerWaalsContact O-CB 3.32Å; G342-S345 WeakPolarHBondContact O-CB 3.38Å; G342-S345 PolarHBondContact O-N 2.74Å; G342-S345 VanDerWaalsContact O-N 3.16Å; G342-S345 PolarHBondContact O-OG 2.87Å; L343-S345 PolarHBondContact O-N 3.18Å; L343-S345 VanDerWaalsContact O-N 3.15Å; S345-F347 PolarHBondContact O-N 2.89Å
346	L	96.7	Very high	82	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.1	172.1	-68.9	170.2	0	0	0	112.6	V318 I321 L330 L332 L343 S344 K360 L361	V318-L346 HydrophobicContact CG1-CD1 3.82Å; V318-L346 HydrophobicContact CG1-CD2 3.72Å; V318-L346 HydrophobicContact CG1-CG 3.51Å; V318-L346 VanDerWaalsContact O-CD2 3.31Å; V318-L346 WeakPolarHBondContact O-CD2 3.32Å; I321-L346 HydrophobicContact CB-CD2 3.88Å; I321-L346 HydrophobicContact CG2-CD2 3.74Å; L330-L346 HydrophobicContact CD2-CD1 4.1Å; L330-L346 HydrophobicContact CD2-CD2 4.18Å; L332-L346 HydrophobicContact CD1-CD1 4.1Å; L343-L346 HydrophobicContact CD2-CD1 4.4Å; L343-L346 VanDerWaalsContact O-CB 3.32Å; L343-L346 WeakPolarHBondContact O-CB 3.21Å; L343-L346 PolarHBondContact O-N 2.95Å; L343-L346 VanDerWaalsContact O-N 3.12Å; S344-L346 PolarHBondContact O-N 2.93Å; L346-K360 WeakPolarHBondContact O-CB 3.29Å; L346-L361 HydrophobicContact CB-CD1 4.16Å; L346-L361 HydrophobicContact CD2-CD1 4Å; L346-L361 VanDerWaalsContact O-CG 3.25Å; L346-L361 WeakPolarHBondContact O-CG 3.13Å; L346-L361 PolarHBondContact O-N 3.02Å
347	F	95.8	Very high	80.4	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-43.9	-169	-52.1	-63.6	0	0	0	111.1	L343 S344 S345 K360 L364 L367 L369 V379 D382 I383 C386	L343-F347 WeakPolarHBondContact O-CD2 3.35Å; L343-F347 WeakPolarHBondContact O-CE2 3.36Å; S344-F347 PolarHBondContact O-N 2.81Å; S345-F347 PolarHBondContact O-N 2.89Å; F347-K360 PolarHBondContact O-N 2.81Å; F347-K360 VanDerWaalsContact O-N 3.13Å; F347-L364 HydrophobicContact CE1-CD1 4.14Å; F347-L367 HydrophobicContact CE1-CD2 4.03Å; F347-L367 HydrophobicContact CZ-CD1 4.36Å; F347-L367 HydrophobicContact CZ-CD2 3.84Å; F347-L369 HydrophobicContact CE2-CD1 4.46Å; F347-L369 HydrophobicContact CZ-CD1 4.24Å; F347-V379 HydrophobicContact CD2-CG1 4.43Å; F347-V379 HydrophobicContact CE2-CG1 4.17Å; F347-D382 HydrophobicContact CB-CB 4.12Å; F347-D382 HydrophobicContact CD2-CB 4.45Å; F347-I383 HydrophobicContact CD1-CG1 4.18Å; F347-I383 HydrophobicContact CD2-CG1 3.67Å; F347-I383 HydrophobicContact CE1-CG1 3.86Å; F347-I383 HydrophobicContact CE2-CD1 3.99Å; F347-I383 HydrophobicContact CE2-CG1 3.31Å; F347-I383 HydrophobicContact CG-CG1 4.1Å; F347-I383 HydrophobicContact CZ-CD1 4.09Å; F347-I383 HydrophobicContact CZ-CG1 3.44Å; F347-I383 VanDerWaalsContact CZ-CG1 3.44Å; F347-C386 HydrophobicContact CB-CB 3.75Å; F347-C386 HydrophobicContact CD1-CB 4.39Å; F347-C386 HydrophobicContact CG-CB 4.5Å; F347-C386 PolarHBondContact O-SG 2.9Å
348	V	90.5	Very high	79.2	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.067	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.2	-170.5	-178.3	0	0	0	0	110.5	S344 H357 L359 D382	S344-V348 PolarHBondContact O-N 3.25Å; V348-H357 HydrophobicContact CG1-CB 4.48Å; V348-L359 HydrophobicContact CG2-CD2 4.34Å; V348-D382 HydrophobicContact CG2-CB 3.94Å
349	S	80.6	Confident	78.2	Confident	46 Å²	46	69 Å²	69	32%	0.322	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.5	166.9	170.2	0	0	0	0	110.2	S351 Q358	S349-S351 PolarHBondContact O-N 2.88Å; S349-S351 VanDerWaalsContact O-N 3.16Å; S349-Q358 PolarHBondContact N-O 3.27Å
350	K	68.4	Low	77.7	Confident	150 Å²	150	69.5 Å²	69.5	65%	0.652	37%	0.369	S	S	*	.			trans	-76.9	97.4	171.2	-66.5	-180	-177.7	175	0	109.1
351	S	57.1	Low	77.4	Confident	52 Å²	52	67.1 Å²	67.1	36%	0.364	35%	0.353	S	S	.	.			trans	-81.4	140.6	168.2	-173	0	0	0	0	110.2	S349 S353	S349-S351 PolarHBondContact O-N 2.88Å; S349-S351 VanDerWaalsContact O-N 3.16Å; S351-S353 CarbonylContact O-C 3.57Å; S351-S353 PolarHBondContact O-N 2.54Å; S351-S353 PolarHBondContact OG-N 3.49Å; S351-S353 PolarHBondContact OG-OG 2.96Å
352	L	56.1	Low	77.2	Confident	179 Å²	179	68.6 Å²	68.6	94%	0.937	35%	0.348	S	S	*	.	S	Bend	trans	-59.3	-26.5	172.6	-71.5	167.1	0	0	0	112	H354	L352-H354 PolarHBondContact O-N 2.89Å
353	S	57.9	Low	77	Confident	63 Å²	63	72.7 Å²	72.7	44%	0.441	36%	0.364	S	S	.	.	S	Bend	trans	-79.5	103.6	166.8	59.7	0	0	0	0	108.4	S351 L355	S351-S353 CarbonylContact O-C 3.57Å; S351-S353 PolarHBondContact O-N 2.54Å; S351-S353 PolarHBondContact OG-N 3.49Å; S351-S353 PolarHBondContact OG-OG 2.96Å; S353-L355 PolarHBondContact O-N 3.41Å
354	H	52.1	Low	76.9	Confident	170 Å²	170	72.7 Å²	72.7	79%	0.787	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-5.2	177.1	-90.2	-84.4	0	0	0	116.2	L352	L352-H354 PolarHBondContact O-N 2.89Å
355	L	48.7	Very low	76.9	Confident	154 Å²	154	73.8 Å²	73.8	81%	0.806	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-22.8	-170.8	-79.6	127	0	0	0	115.7	S353	S353-L355 PolarHBondContact O-N 3.41Å
356	D	50.2	Low	76.9	Confident	124 Å²	124	75.3 Å²	75.3	66%	0.663	37%	0.373	S	S	*	.			trans	-135.6	90.9	-178.4	-68.6	-41.9	0	0	0	111.8	Q358	D356-Q358 PolarHBondContact O-N 2.77Å
357	H	60.5	Low	77	Confident	108 Å²	108	75.4 Å²	75.4	50%	0.5	37%	0.374	S	S	.	.			trans	-74.2	103.3	162.1	-76.6	58.5	0	0	0	107.8	V348 L359	V348-H357 HydrophobicContact CG1-CB 4.48Å; H357-L359 PolarHBondContact O-N 2.9Å
358	Q	72.4	Confident	77	Confident	115 Å²	115	76.4 Å²	76.4	54%	0.537	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.1	177.7	-165.8	-178.4	35.3	0	0	109.5	S349 D356	S349-Q358 PolarHBondContact N-O 3.27Å; D356-Q358 PolarHBondContact O-N 2.77Å
359	L	77	Confident	77.4	Confident	68 Å²	68	75.9 Å²	75.9	36%	0.356	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.8	168.5	-60.2	-177.9	0	0	0	109.4	V348 H357 C386	V348-L359 HydrophobicContact CG2-CD2 4.34Å; H357-L359 PolarHBondContact O-N 2.9Å; L359-C386 HydrophobicContact CD2-CB 4.05Å
360	K	86.3	Confident	78.1	Confident	46 Å²	46	73.8 Å²	73.8	20%	0.2	36%	0.361	C	S	.	.			trans	-90.6	-89.1	-175.6	-65.2	-66.3	-170.9	-178.9	0	111.2	A322 L346 F347 R362	A322-K360 HydrophobicContact CB-CB 4.2Å; A322-K360 HydrophobicContact CB-CG 4.12Å; L346-K360 WeakPolarHBondContact O-CB 3.29Å; F347-K360 PolarHBondContact O-N 2.81Å; F347-K360 VanDerWaalsContact O-N 3.13Å; K360-R362 PolarHBondContact O-N 3.39Å
361	L	92.8	Very high	79.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-76.9	51.7	-173.7	-57.3	-177.8	0	0	0	113.7	L324 L327 L330 L346 Y363 L364	L324-L361 WeakPolarHBondContact O-CD2 3.26Å; L327-L361 HydrophobicContact CB-CD2 4.3Å; L327-L361 HydrophobicContact CD1-CD1 4.39Å; L327-L361 HydrophobicContact CD1-CD2 4.1Å; L330-L361 HydrophobicContact CD2-CD1 3.79Å; L346-L361 HydrophobicContact CB-CD1 4.16Å; L346-L361 HydrophobicContact CD2-CD1 4Å; L346-L361 VanDerWaalsContact O-CG 3.25Å; L346-L361 WeakPolarHBondContact O-CG 3.13Å; L346-L361 PolarHBondContact O-N 3.02Å; L361-Y363 PolarHBondContact O-N 3.16Å; L361-L364 HydrophobicContact CB-CD1 3.61Å; L361-L364 HydrophobicContact CB-CG 3.89Å; L361-L364 HydrophobicContact CD1-CD1 4.03Å; L361-L364 HydrophobicContact CG-CD1 4.49Å; L361-L364 WeakPolarHBondContact O-CG 3.48Å; L361-L364 PolarHBondContact O-N 3.38Å
362	R	91.9	Very high	81.4	Confident	126 Å²	126	66.3 Å²	66.3	48%	0.475	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.4	-172.4	69.7	-174.8	-176.3	-147.2	3.1	115.1	K360 R390	K360-R362 PolarHBondContact O-N 3.39Å; R362-R390 VanDerWaalsContact O-CD 3.25Å; R362-R390 WeakPolarHBondContact O-CD 3.43Å
363	Y	92.6	Very high	83.3	Confident	86 Å²	86	61 Å²	61	34%	0.337	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	2.9	-178.6	-60.8	-63.4	0	0	0	113.6	S325 L327 L361 E365	S325-Y363 WeakPolarHBondContact O-CD2 3.48Å; L327-Y363 CarbonylContact O-C 3.46Å; L361-Y363 PolarHBondContact O-N 3.16Å; Y363-E365 PolarHBondContact O-N 3.08Å
364	L	95.8	Very high	85.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.281	C	S	.	.			trans	-58.9	128.3	177.3	-73.7	175.6	0	0	0	111.5	L327 L330 F347 L361 L367 C387 L391	L327-L364 HydrophobicContact CB-CD2 4.04Å; L327-L364 PolarHBondContact O-N 3.27Å; L330-L364 HydrophobicContact CB-CD1 4.42Å; L330-L364 HydrophobicContact CB-CD2 3.85Å; F347-L364 HydrophobicContact CE1-CD1 4.14Å; L361-L364 HydrophobicContact CB-CD1 3.61Å; L361-L364 HydrophobicContact CB-CG 3.89Å; L361-L364 HydrophobicContact CD1-CD1 4.03Å; L361-L364 HydrophobicContact CG-CD1 4.49Å; L361-L364 WeakPolarHBondContact O-CG 3.48Å; L361-L364 PolarHBondContact O-N 3.38Å; L364-L367 HydrophobicContact CD1-CD1 4.4Å; L364-C387 HydrophobicContact CB-CB 4.04Å; L364-L391 HydrophobicContact CB-CD2 4.32Å
365	E	96.1	Very high	87.4	Confident	32 Å²	32	50.2 Å²	50.2	15%	0.15	24%	0.243	C	C	.	.	S	Bend	trans	-110.2	-23.4	168.6	-65	-170.6	-179.4	0	0	111.1	V328 Y363 R392 F393	V328-E365 HydrophobicContact CG1-CB 4Å; V328-E365 HydrophobicContact CG1-CG 4.02Å; V328-E365 PolarHBondContact O-N 3.06Å; Y363-E365 PolarHBondContact O-N 3.08Å; E365-R392 HydrophobicContact CB-CG 4.5Å; E365-R392 PolarHBondContact O-N 2.97Å; E365-R392 IonicContact OE1-CZ 2.73Å; E365-R392 IonicContact OE1-NH1 3.65Å; E365-R392 IonicContact OE1-NH2 3.71Å; E365-R392 WeakPolarHBondContact OE2-CD 3.42Å; E365-R392 IonicContact OE2-CZ 2.75Å; E365-R392 IonicContact OE2-NE 3.86Å; E365-R392 PolarHBondContact OE2-NE 3.3Å; E365-R392 IonicContact OE2-NH1 3.87Å; E365-R392 PolarHBondContact OE2-NH1 2.93Å; E365-R392 IonicContact OE2-NH2 3.8Å; E365-F393 PolarHBondContact O-N 3.46Å
366	H	96.1	Very high	89.7	Confident	51 Å²	51	45 Å²	45	24%	0.236	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.4	-179.6	-59	-118.4	0	0	0	110.2	V328 A329 L330 F393	V328-H366 PolarHBondContact O-N 2.98Å; V328-H366 VanDerWaalsContact O-N 3.07Å; A329-H366 WeakPolarHBondContact CA-O 3.36Å; A329-H366 HydrophobicContact CB-CB 3.8Å; L330-H366 PolarHBondContact N-O 3.2Å; H366-F393 WeakPolarHBondContact CA-O 3.45Å; H366-F393 HydrophobicContact CB-CB 4.34Å; H366-F393 AromaticContact CE1-CD2 3.01Å; H366-F393 WeakPolarHBondContact CE1-CD2 3.39Å; H366-F393 AromaticContact CE1-CE2 3.19Å; H366-F393 WeakPolarHBondContact CE1-CE2 3.43Å; H366-F393 AromaticContact CE1-CG 3.76Å; H366-F393 AromaticContact CG-CD2 3.82Å; H366-F393 AromaticContact ND1-CD2 3.15Å; H366-F393 WeakPolarHBondContact ND1-CD2 3.37Å; H366-F393 AromaticContact ND1-CE2 3.81Å; H366-F393 AromaticContact ND1-CG 3.47Å; H366-F393 WeakPolarHBondContact ND1-CG 3.42Å; H366-F393 AromaticContact NE2-CD2 3.59Å; H366-F393 AromaticContact NE2-CE2 3.76Å
367	L	97.5	Very high	92	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.9	176.9	-178	61.6	0	0	0	110.5	L330 F347 L364 L369 I383 L391 F393 L394 T395	L330-L367 HydrophobicContact CB-CD1 4.19Å; L330-L367 HydrophobicContact CD2-CD1 4.3Å; L330-L367 HydrophobicContact CG-CD1 4.4Å; L330-L367 WeakPolarHBondContact O-CA 3.42Å; F347-L367 HydrophobicContact CE1-CD2 4.03Å; F347-L367 HydrophobicContact CZ-CD1 4.36Å; F347-L367 HydrophobicContact CZ-CD2 3.84Å; L364-L367 HydrophobicContact CD1-CD1 4.4Å; L367-L369 HydrophobicContact CD1-CD1 4.2Å; L367-L369 HydrophobicContact CD1-CD2 4.04Å; L367-L369 HydrophobicContact CD1-CG 3.83Å; L367-L369 HydrophobicContact CD2-CD1 4.15Å; L367-L369 HydrophobicContact CD2-CG 4.45Å; L367-L369 HydrophobicContact CG-CD1 4.31Å; L367-L369 HydrophobicContact CG-CG 4.07Å; L367-I383 HydrophobicContact CD2-CD1 3.79Å; L367-I383 HydrophobicContact CD2-CG1 3.93Å; L367-I383 HydrophobicContact CD2-CG2 3.78Å; L367-L391 HydrophobicContact CB-CD2 3.96Å; L367-F393 PolarHBondContact N-O 3.2Å; L367-L394 HydrophobicContact CB-CD1 4.09Å; L367-L394 HydrophobicContact CD2-CD1 4.02Å; L367-L394 HydrophobicContact CG-CD1 4.22Å; L367-L394 WeakPolarHBondContact O-CA 3.31Å; L367-T395 PolarHBondContact O-N 3.04Å
368	D	96.8	Very high	93.8	Very high	20 Å²	20	37.6 Å²	37.6	11%	0.107	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.5	171	-176.7	-4.4	0	0	0	109.5	L330 T331 L332 S370 T395	L330-D368 PolarHBondContact O-N 3.22Å; T331-D368 WeakPolarHBondContact CA-O 3.13Å; T331-D368 HydrophobicContact CG2-CB 3.82Å; L332-D368 PolarHBondContact N-O 3.48Å; D368-S370 WeakPolarHBondContact OD1-CB 3.49Å; D368-S370 PolarHBondContact OD1-N 3.28Å; D368-S370 PolarHBondContact OD1-OG 2.79Å; D368-T395 WeakPolarHBondContact CA-O 3.24Å
369	L	97.8	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.			trans	-119.5	33.9	175.6	-61.9	177.9	0	0	0	110.5	L332 F347 L367 A372 L375 I383 T395 L396 C399	L332-L369 HydrophobicContact CB-CD2 4.04Å; L332-L369 WeakPolarHBondContact O-CA 3.36Å; F347-L369 HydrophobicContact CE2-CD1 4.46Å; F347-L369 HydrophobicContact CZ-CD1 4.24Å; L367-L369 HydrophobicContact CD1-CD1 4.2Å; L367-L369 HydrophobicContact CD1-CD2 4.04Å; L367-L369 HydrophobicContact CD1-CG 3.83Å; L367-L369 HydrophobicContact CD2-CD1 4.15Å; L367-L369 HydrophobicContact CD2-CG 4.45Å; L367-L369 HydrophobicContact CG-CD1 4.31Å; L367-L369 HydrophobicContact CG-CG 4.07Å; L369-A372 HydrophobicContact CB-CB 4.35Å; L369-A372 WeakPolarHBondContact O-CB 3.5Å; L369-A372 PolarHBondContact O-N 2.78Å; L369-L375 HydrophobicContact CB-CD2 4.32Å; L369-L375 HydrophobicContact CD1-CD1 3.88Å; L369-I383 HydrophobicContact CD1-CD1 3.99Å; L369-T395 PolarHBondContact N-O 3.33Å; L369-L396 HydrophobicContact CB-CD2 4.23Å; L369-C399 PolarHBondContact O-SG 3.3Å
370	S	96.8	Very high	96.1	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	141.5	-177.5	-59.4	0	0	0	0	112.2	R333 K334 D368 A372 T395 N397	R333-S370 VanDerWaalsContact CA-O 3.29Å; R333-S370 WeakPolarHBondContact CA-O 3.29Å; K334-S370 PolarHBondContact N-O 3.1Å; K334-S370 VanDerWaalsContact N-O 3.1Å; D368-S370 WeakPolarHBondContact OD1-CB 3.49Å; D368-S370 PolarHBondContact OD1-N 3.28Å; D368-S370 PolarHBondContact OD1-OG 2.79Å; S370-A372 VanDerWaalsContact C-N 3.27Å; S370-A372 PolarHBondContact O-N 3.3Å; S370-T395 VanDerWaalsContact OG-CG2 3.26Å; S370-T395 WeakPolarHBondContact OG-CG2 3.36Å; S370-N397 CarbonylContact C-O 3.59Å; S370-N397 WeakPolarHBondContact CA-O 3.49Å
371	E	97.1	Very high	96.6	Very high	45 Å²	45	30.5 Å²	30.5	21%	0.21	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	39.9	-178.7	-58.6	166.3	-99.4	0	0	111.4	R333 K334 P373 N397 W398	R333-E371 IonicContact CZ-OE1 3.91Å; R333-E371 IonicContact NE-OE1 3.17Å; R333-E371 IonicContact NH2-OE1 2.74Å; R333-E371 PolarHBondContact NH2-OE1 3.37Å; K334-E371 WeakPolarHBondContact CA-O 3.49Å; K334-E371 WeakPolarHBondContact CE-OE2 3.37Å; K334-E371 HydrophobicContact CG-CB 3.84Å; K334-E371 HydrophobicContact CG-CG 4.49Å; K334-E371 PolarHBondContact N-O 2.74Å; K334-E371 IonicContact NZ-OE2 3.7Å; E371-P373 WeakPolarHBondContact O-CD 3.47Å; E371-N397 PolarHBondContact N-O 3.3Å; E371-W398 HydrophobicContact CG-CB 3.71Å; E371-W398 HydrophobicContact CG-CG 4.07Å
372	A	97.5	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.			trans	-102.8	98.6	173.6	0	0	0	0	0	110.5	T335 L343 L369 S370 G374 L375	T335-A372 WeakPolarHBondContact OG1-CB 3.48Å; L343-A372 HydrophobicContact CD1-CB 4.14Å; L369-A372 HydrophobicContact CB-CB 4.35Å; L369-A372 WeakPolarHBondContact O-CB 3.5Å; L369-A372 PolarHBondContact O-N 2.78Å; S370-A372 VanDerWaalsContact C-N 3.27Å; S370-A372 PolarHBondContact O-N 3.3Å; A372-G374 PolarHBondContact O-N 3.5Å; A372-L375 HydrophobicContact CB-CB 4.1Å; A372-L375 VanDerWaalsContact O-CB 3.27Å; A372-L375 WeakPolarHBondContact O-CB 3.39Å; A372-L375 PolarHBondContact O-N 3.04Å
373	P	96.1	Very high	97.1	Very high	67 Å²	67	25.7 Å²	25.7	44%	0.435	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.8	-178.4	-22.4	34.1	0	0	0	113.6	E371 L375	E371-P373 WeakPolarHBondContact O-CD 3.47Å; P373-L375 PolarHBondContact O-N 3.2Å
374	G	96.9	Very high	97.4	Very high	6 Å²	6	21.8 Å²	21.8	6%	0.062	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.4	173.6	0	0	0	0	0	114.1	P340 A372 N376	P340-G374 WeakPolarHBondContact CA-O 3.42Å; P340-G374 VanDerWaalsContact CB-O 3.27Å; P340-G374 WeakPolarHBondContact CB-O 3.24Å; P340-G374 VanDerWaalsContact CG-O 3.3Å; P340-G374 WeakPolarHBondContact CG-O 3.42Å; A372-G374 PolarHBondContact O-N 3.5Å; G374-N376 PolarHBondContact O-N 2.95Å
375	L	98.4	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.			trans	-81.1	106.7	-177.9	-171.1	75.3	0	0	0	110.8	L343 L369 A372 P373 V379 I383 L396 C399 V402	L343-L375 HydrophobicContact CD1-CB 4.08Å; L343-L375 HydrophobicContact CD1-CD1 4.45Å; L369-L375 HydrophobicContact CB-CD2 4.32Å; L369-L375 HydrophobicContact CD1-CD1 3.88Å; A372-L375 HydrophobicContact CB-CB 4.1Å; A372-L375 VanDerWaalsContact O-CB 3.27Å; A372-L375 WeakPolarHBondContact O-CB 3.39Å; A372-L375 PolarHBondContact O-N 3.04Å; P373-L375 PolarHBondContact O-N 3.2Å; L375-V379 HydrophobicContact CD1-CB 3.78Å; L375-V379 HydrophobicContact CD1-CG1 3.49Å; L375-V379 VanDerWaalsContact CD1-CG1 3.49Å; L375-I383 HydrophobicContact CD1-CD1 4.01Å; L375-L396 HydrophobicContact CD2-CB 3.95Å; L375-L396 HydrophobicContact CD2-CD1 4.01Å; L375-L396 HydrophobicContact CD2-CD2 3.5Å; L375-L396 HydrophobicContact CD2-CG 4Å; L375-C399 HydrophobicContact CB-CB 4.24Å; L375-C399 HydrophobicContact CD2-CB 3.71Å; L375-C399 WeakPolarHBondContact CD2-SG 3.46Å; L375-C399 HydrophobicContact CG-CB 4.4Å; L375-V402 HydrophobicContact CD2-CG2 3.92Å; L375-V402 HydrophobicContact CG-CG2 3.94Å
376	N	98	Very high	97.3	Very high	45 Å²	45	24 Å²	24	24%	0.241	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-120.9	179.3	173.9	67.5	23.1	0	0	0	111.5	G374 S378 V379 V380 E401	G374-N376 PolarHBondContact O-N 2.95Å; N376-S378 PolarHBondContact O-N 2.89Å; N376-S378 VanDerWaalsContact O-N 3.14Å; N376-S378 WeakPolarHBondContact OD1-CA 3.49Å; N376-S378 VanDerWaalsContact OD1-CB 3.29Å; N376-S378 WeakPolarHBondContact OD1-CB 3.41Å; N376-S378 PolarHBondContact OD1-N 3.29Å; N376-V379 PolarHBondContact O-N 2.99Å; N376-V379 PolarHBondContact OD1-N 3.34Å; N376-V380 PolarHBondContact O-N 3.07Å; N376-E401 HydrophobicContact CB-CB 3.79Å
377	D	98.6	Very high	97.2	Very high	22 Å²	22	21.6 Å²	21.6	12%	0.118	13%	0.128	C	C	.	.	H	α-helix	trans	-57.2	-30	-179.1	-63.2	-37.5	0	0	0	113.9	V380 M381 T403 I405 G406	D377-V380 PolarHBondContact O-N 3.31Å; D377-M381 WeakPolarHBondContact O-CG 3.42Å; D377-M381 PolarHBondContact O-N 2.87Å; D377-T403 PolarHBondContact OD1-N 3.05Å; D377-T403 WeakPolarHBondContact OD2-CB 3.11Å; D377-T403 PolarHBondContact OD2-OG1 3.48Å; D377-I405 HydrophobicContact CB-CB 4.31Å; D377-I405 HydrophobicContact CB-CG2 4.23Å; D377-G406 VanDerWaalsContact OD1-CA 3.24Å; D377-G406 WeakPolarHBondContact OD1-CA 3.48Å; D377-G406 PolarHBondContact OD1-N 2.93Å
378	S	97.9	Very high	97.2	Very high	54 Å²	54	21.5 Å²	21.5	38%	0.378	13%	0.128	S	C	.	.	H	α-helix	trans	-66.5	-42.5	175.5	-172.1	0	0	0	0	112.1	N376 V380 M381 D382	N376-S378 PolarHBondContact O-N 2.89Å; N376-S378 VanDerWaalsContact O-N 3.14Å; N376-S378 WeakPolarHBondContact OD1-CA 3.49Å; N376-S378 VanDerWaalsContact OD1-CB 3.29Å; N376-S378 WeakPolarHBondContact OD1-CB 3.41Å; N376-S378 PolarHBondContact OD1-N 3.29Å; S378-V380 VanDerWaalsContact C-N 3.31Å; S378-M381 WeakPolarHBondContact O-CB 3.42Å; S378-M381 PolarHBondContact O-N 3.28Å; S378-D382 PolarHBondContact O-N 2.82Å; S378-D382 VanDerWaalsContact O-N 3.08Å
379	V	98.2	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.6	-37.2	176.3	-174.8	0	0	0	0	110.1	P340 L343 F347 L375 N376 M381 D382 I383	P340-V379 HydrophobicContact CB-CG2 4.06Å; P340-V379 WeakPolarHBondContact O-CG2 3.21Å; L343-V379 HydrophobicContact CB-CG1 3.8Å; L343-V379 HydrophobicContact CB-CG2 4.33Å; F347-V379 HydrophobicContact CD2-CG1 4.43Å; F347-V379 HydrophobicContact CE2-CG1 4.17Å; L375-V379 HydrophobicContact CD1-CB 3.78Å; L375-V379 HydrophobicContact CD1-CG1 3.49Å; L375-V379 VanDerWaalsContact CD1-CG1 3.49Å; N376-V379 PolarHBondContact O-N 2.99Å; N376-V379 PolarHBondContact OD1-N 3.34Å; V379-M381 VanDerWaalsContact C-N 3.32Å; V379-M381 PolarHBondContact O-N 3Å; V379-D382 WeakPolarHBondContact O-CB 3.12Å; V379-D382 PolarHBondContact O-N 2.95Å; V379-D382 VanDerWaalsContact O-N 3.15Å; V379-I383 HydrophobicContact CG1-CD1 4.33Å; V379-I383 VanDerWaalsContact O-CG1 3.32Å; V379-I383 WeakPolarHBondContact O-CG1 3.46Å; V379-I383 PolarHBondContact O-N 3.38Å
380	V	98.6	Very high	97	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-40	173.7	176.1	0	0	0	0	111.8	N376 D377 S378 D382 I383 C384 L396 V402 G406 I410	N376-V380 PolarHBondContact O-N 3.07Å; D377-V380 PolarHBondContact O-N 3.31Å; S378-V380 VanDerWaalsContact C-N 3.31Å; V380-D382 VanDerWaalsContact C-N 3.34Å; V380-D382 PolarHBondContact O-N 3.14Å; V380-I383 WeakPolarHBondContact O-CB 3.45Å; V380-I383 PolarHBondContact O-N 2.82Å; V380-C384 WeakPolarHBondContact O-CB 3.35Å; V380-C384 PolarHBondContact O-N 3.49Å; V380-C384 PolarHBondContact O-SG 3.41Å; V380-L396 HydrophobicContact CG2-CD1 4.12Å; V380-V402 HydrophobicContact CG2-CG1 4.3Å; V380-V402 HydrophobicContact CG2-CG2 3.97Å; V380-G406 WeakPolarHBondContact CG1-O 3.35Å; V380-I410 HydrophobicContact CG1-CD1 3.73Å; V380-I410 HydrophobicContact CG1-CG1 3.59Å
381	M	97.9	Very high	97	Very high	80 Å²	80	29.3 Å²	29.3	39%	0.394	17%	0.168	S	C	.	.	H	α-helix	trans	-60.4	-43.4	172.2	-73.5	-175.6	-77	0	0	111.8	D377 S378 V379 C384 S385 Q409	D377-M381 WeakPolarHBondContact O-CG 3.42Å; D377-M381 PolarHBondContact O-N 2.87Å; S378-M381 WeakPolarHBondContact O-CB 3.42Å; S378-M381 PolarHBondContact O-N 3.28Å; V379-M381 VanDerWaalsContact C-N 3.32Å; V379-M381 PolarHBondContact O-N 3Å; M381-C384 PolarHBondContact O-N 2.83Å; M381-S385 WeakPolarHBondContact O-CB 3.36Å; M381-S385 PolarHBondContact O-N 2.88Å; M381-S385 PolarHBondContact O-OG 2.89Å; M381-Q409 HydrophobicContact CG-CG 4Å
382	D	97.3	Very high	97	Very high	24 Å²	24	31.9 Å²	31.9	13%	0.128	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-44.2	176.8	-67.4	-28.1	0	0	0	111.6	S344 F347 V348 S378 V379 V380 C384 S385 C386	S344-D382 WeakPolarHBondContact CB-OD2 3.32Å; S344-D382 PolarHBondContact OG-OD2 2.82Å; F347-D382 HydrophobicContact CB-CB 4.12Å; F347-D382 HydrophobicContact CD2-CB 4.45Å; V348-D382 HydrophobicContact CG2-CB 3.94Å; S378-D382 PolarHBondContact O-N 2.82Å; S378-D382 VanDerWaalsContact O-N 3.08Å; V379-D382 WeakPolarHBondContact O-CB 3.12Å; V379-D382 PolarHBondContact O-N 2.95Å; V379-D382 VanDerWaalsContact O-N 3.15Å; V380-D382 VanDerWaalsContact C-N 3.34Å; V380-D382 PolarHBondContact O-N 3.14Å; D382-C384 PolarHBondContact O-N 3.3Å; D382-S385 PolarHBondContact O-N 2.97Å; D382-S385 PolarHBondContact O-OG 2.96Å; D382-C386 VanDerWaalsContact O-CB 3.31Å; D382-C386 WeakPolarHBondContact O-CB 3.33Å; D382-C386 PolarHBondContact O-N 3.05Å
383	I	98	Very high	96.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-54	-53.7	173.2	-69.8	165	0	0	0	110.3	F347 L367 L369 L375 V379 V380 S385 C386 C387 G388 L391	F347-I383 HydrophobicContact CD1-CG1 4.18Å; F347-I383 HydrophobicContact CD2-CG1 3.67Å; F347-I383 HydrophobicContact CE1-CG1 3.86Å; F347-I383 HydrophobicContact CE2-CD1 3.99Å; F347-I383 HydrophobicContact CE2-CG1 3.31Å; F347-I383 HydrophobicContact CG-CG1 4.1Å; F347-I383 HydrophobicContact CZ-CD1 4.09Å; F347-I383 HydrophobicContact CZ-CG1 3.44Å; F347-I383 VanDerWaalsContact CZ-CG1 3.44Å; L367-I383 HydrophobicContact CD2-CD1 3.79Å; L367-I383 HydrophobicContact CD2-CG1 3.93Å; L367-I383 HydrophobicContact CD2-CG2 3.78Å; L369-I383 HydrophobicContact CD1-CD1 3.99Å; L375-I383 HydrophobicContact CD1-CD1 4.01Å; V379-I383 HydrophobicContact CG1-CD1 4.33Å; V379-I383 VanDerWaalsContact O-CG1 3.32Å; V379-I383 WeakPolarHBondContact O-CG1 3.46Å; V379-I383 PolarHBondContact O-N 3.38Å; V380-I383 WeakPolarHBondContact O-CB 3.45Å; V380-I383 PolarHBondContact O-N 2.82Å; I383-S385 VanDerWaalsContact C-N 3.34Å; I383-S385 PolarHBondContact O-N 2.79Å; I383-C386 PolarHBondContact O-N 3.44Å; I383-C387 PolarHBondContact O-N 3.01Å; I383-C387 PolarHBondContact O-SG 3.36Å; I383-C387 VanDerWaalsContact O-SG 3.41Å; I383-G388 PolarHBondContact O-N 3.48Å; I383-L391 HydrophobicContact CG2-CD1 3.62Å
384	C	97.4	Very high	97	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.027	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-42.8	-177.3	-67.3	0	0	0	0	111.5	V380 M381 D382 C386 G388 Q409 I413	V380-C384 WeakPolarHBondContact O-CB 3.35Å; V380-C384 PolarHBondContact O-N 3.49Å; V380-C384 PolarHBondContact O-SG 3.41Å; M381-C384 PolarHBondContact O-N 2.83Å; D382-C384 PolarHBondContact O-N 3.3Å; C384-C386 VanDerWaalsContact C-N 3.29Å; C384-C386 PolarHBondContact O-N 2.88Å; C384-G388 VanDerWaalsContact O-CA 3.29Å; C384-G388 WeakPolarHBondContact O-CA 3.46Å; C384-G388 PolarHBondContact O-N 2.87Å; C384-Q409 HydrophobicContact CB-CG 3.94Å; C384-I413 HydrophobicContact CB-CB 3.99Å; C384-I413 HydrophobicContact CB-CG1 4.17Å; C384-I413 HydrophobicContact CB-CG2 4.01Å; C384-I413 WeakPolarHBondContact O-CG2 3.45Å
385	S	94.6	Very high	97	Very high	69 Å²	69	31.2 Å²	31.2	48%	0.483	17%	0.165	S	C	.	.	H	α-helix	trans	-66.1	-30	178.7	76	0	0	0	0	113.5	M381 D382 I383	M381-S385 WeakPolarHBondContact O-CB 3.36Å; M381-S385 PolarHBondContact O-N 2.88Å; M381-S385 PolarHBondContact O-OG 2.89Å; D382-S385 PolarHBondContact O-N 2.97Å; D382-S385 PolarHBondContact O-OG 2.96Å; I383-S385 VanDerWaalsContact C-N 3.34Å; I383-S385 PolarHBondContact O-N 2.79Å
386	C	95.3	Very high	96.9	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-88.6	-53.2	-174.9	-174.8	0	0	0	0	113	F347 L359 D382 I383 C384	F347-C386 HydrophobicContact CB-CB 3.75Å; F347-C386 HydrophobicContact CD1-CB 4.39Å; F347-C386 HydrophobicContact CG-CB 4.5Å; F347-C386 PolarHBondContact O-SG 2.9Å; L359-C386 HydrophobicContact CD2-CB 4.05Å; D382-C386 VanDerWaalsContact O-CB 3.31Å; D382-C386 WeakPolarHBondContact O-CB 3.33Å; D382-C386 PolarHBondContact O-N 3.05Å; I383-C386 PolarHBondContact O-N 3.44Å; C384-C386 VanDerWaalsContact C-N 3.29Å; C384-C386 PolarHBondContact O-N 2.88Å
387	C	95.3	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-130.6	4.2	-171.8	59.5	0	0	0	0	113.5	L364 I383 S389 R390 L391	L364-C387 HydrophobicContact CB-CB 4.04Å; I383-C387 PolarHBondContact O-N 3.01Å; I383-C387 PolarHBondContact O-SG 3.36Å; I383-C387 VanDerWaalsContact O-SG 3.41Å; C387-S389 VanDerWaalsContact C-N 3.32Å; C387-S389 PolarHBondContact O-N 3.21Å; C387-S389 VanDerWaalsContact O-N 3.17Å; C387-R390 PolarHBondContact O-N 3.18Å; C387-L391 HydrophobicContact CB-CG 4.5Å; C387-L391 PolarHBondContact O-N 2.82Å
388	G	96.3	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.4	-171.8	0	0	0	0	0	114.6	I383 C384 R390 L391 C414	I383-G388 PolarHBondContact O-N 3.48Å; C384-G388 VanDerWaalsContact O-CA 3.29Å; C384-G388 WeakPolarHBondContact O-CA 3.46Å; C384-G388 PolarHBondContact O-N 2.87Å; G388-R390 PolarHBondContact O-N 3.2Å; G388-L391 PolarHBondContact O-N 3.49Å; G388-C414 WeakPolarHBondContact O-CA 3.45Å; G388-C414 PolarHBondContact O-SG 2.95Å
389	S	95.3	Very high	96.8	Very high	79 Å²	79	30.9 Å²	30.9	55%	0.552	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-18.5	-179.9	59.1	0	0	0	0	114.5	C387 S416	C387-S389 VanDerWaalsContact C-N 3.32Å; C387-S389 PolarHBondContact O-N 3.21Å; C387-S389 VanDerWaalsContact O-N 3.17Å; S389-S416 WeakPolarHBondContact O-CB 3.32Å; S389-S416 PolarHBondContact O-OG 3.07Å
390	R	95.7	Very high	96.7	Very high	109 Å²	109	38 Å²	38	41%	0.411	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-24.1	179.9	-75.4	178.2	154	-89.9	-1.6	113.6	R362 C387 G388 R392	R362-R390 VanDerWaalsContact O-CD 3.25Å; R362-R390 WeakPolarHBondContact O-CD 3.43Å; C387-R390 PolarHBondContact O-N 3.18Å; G388-R390 PolarHBondContact O-N 3.2Å; R390-R392 PolarHBondContact O-N 3.22Å
391	L	97	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.			trans	-55.5	128.8	-178.5	-77.5	176.3	0	0	0	111.5	L364 L367 I383 C387 G388 L394 S416 L417	L364-L391 HydrophobicContact CB-CD2 4.32Å; L367-L391 HydrophobicContact CB-CD2 3.96Å; I383-L391 HydrophobicContact CG2-CD1 3.62Å; C387-L391 HydrophobicContact CB-CG 4.5Å; C387-L391 PolarHBondContact O-N 2.82Å; G388-L391 PolarHBondContact O-N 3.49Å; L391-L394 HydrophobicContact CD1-CD1 4.45Å; L391-S416 CarbonylContact O-C 3.56Å; L391-S416 VanDerWaalsContact O-C 3.31Å; L391-L417 HydrophobicContact CB-CD1 4.17Å; L391-L417 WeakPolarHBondContact O-CA 3.17Å; L391-L417 PolarHBondContact O-N 3.24Å
392	R	96	Very high	96.7	Very high	99 Å²	99	40 Å²	40	37%	0.374	19%	0.188	S	C	.	.	S	Bend	trans	-112.6	-33.6	175.7	-66.8	177.6	-179.1	170.5	0.3	111.2	E365 R390 R418 Q419	E365-R392 HydrophobicContact CB-CG 4.5Å; E365-R392 PolarHBondContact O-N 2.97Å; E365-R392 IonicContact OE1-CZ 2.73Å; E365-R392 IonicContact OE1-NH1 3.65Å; E365-R392 IonicContact OE1-NH2 3.71Å; E365-R392 WeakPolarHBondContact OE2-CD 3.42Å; E365-R392 IonicContact OE2-CZ 2.75Å; E365-R392 IonicContact OE2-NE 3.86Å; E365-R392 PolarHBondContact OE2-NE 3.3Å; E365-R392 IonicContact OE2-NH1 3.87Å; E365-R392 PolarHBondContact OE2-NH1 2.93Å; E365-R392 IonicContact OE2-NH2 3.8Å; R390-R392 PolarHBondContact O-N 3.22Å; R392-R418 HydrophobicContact CB-CG 4.47Å; R392-R418 WeakPolarHBondContact O-CA 3.4Å; R392-R418 WeakPolarHBondContact O-CB 3.45Å; R392-R418 PolarHBondContact O-N 3.33Å; R392-Q419 PolarHBondContact O-N 2.91Å
393	F	96	Very high	96.7	Very high	39 Å²	39	41 Å²	41	17%	0.171	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.2	179.9	-60.6	-101.3	0	0	0	109.2	E365 H366 L367 Q419	E365-F393 PolarHBondContact O-N 3.46Å; H366-F393 WeakPolarHBondContact CA-O 3.45Å; H366-F393 HydrophobicContact CB-CB 4.34Å; H366-F393 AromaticContact CE1-CD2 3.01Å; H366-F393 WeakPolarHBondContact CE1-CD2 3.39Å; H366-F393 AromaticContact CE1-CE2 3.19Å; H366-F393 WeakPolarHBondContact CE1-CE2 3.43Å; H366-F393 AromaticContact CE1-CG 3.76Å; H366-F393 AromaticContact CG-CD2 3.82Å; H366-F393 AromaticContact ND1-CD2 3.15Å; H366-F393 WeakPolarHBondContact ND1-CD2 3.37Å; H366-F393 AromaticContact ND1-CE2 3.81Å; H366-F393 AromaticContact ND1-CG 3.47Å; H366-F393 WeakPolarHBondContact ND1-CG 3.42Å; H366-F393 AromaticContact NE2-CD2 3.59Å; H366-F393 AromaticContact NE2-CE2 3.76Å; L367-F393 PolarHBondContact N-O 3.2Å; F393-Q419 HydrophobicContact CD1-CB 3.63Å; F393-Q419 HydrophobicContact CD1-CG 4.32Å; F393-Q419 HydrophobicContact CE1-CB 4.14Å; F393-Q419 HydrophobicContact CG-CB 4.37Å
394	L	97.6	Very high	96.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.5	177.4	-177.9	59.2	0	0	0	109.8	L367 L391 L396 I410 L417 Q419 L420 S421	L367-L394 HydrophobicContact CB-CD1 4.09Å; L367-L394 HydrophobicContact CD2-CD1 4.02Å; L367-L394 HydrophobicContact CG-CD1 4.22Å; L367-L394 WeakPolarHBondContact O-CA 3.31Å; L391-L394 HydrophobicContact CD1-CD1 4.45Å; L394-L396 HydrophobicContact CD1-CD1 4.33Å; L394-L396 HydrophobicContact CD1-CD2 3.6Å; L394-L396 HydrophobicContact CD1-CG 3.94Å; L394-L396 HydrophobicContact CD2-CD1 4.23Å; L394-L396 HydrophobicContact CG-CD1 4.25Å; L394-L396 HydrophobicContact CG-CD2 4.22Å; L394-L396 HydrophobicContact CG-CG 3.99Å; L394-I410 HydrophobicContact CD2-CD1 3.72Å; L394-I410 HydrophobicContact CD2-CG1 3.89Å; L394-I410 HydrophobicContact CD2-CG2 3.96Å; L394-L417 HydrophobicContact CB-CD1 3.79Å; L394-Q419 PolarHBondContact N-O 3.38Å; L394-L420 HydrophobicContact CB-CD1 4.2Å; L394-L420 HydrophobicContact CD2-CD1 4.09Å; L394-L420 HydrophobicContact CG-CD1 4.17Å; L394-L420 WeakPolarHBondContact O-CA 3.5Å; L394-S421 PolarHBondContact O-N 3.25Å
395	T	96.9	Very high	96.8	Very high	18 Å²	18	47.2 Å²	47.2	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.8	-179.5	-52	0	0	0	0	109.3	L367 D368 L369 S370 N397	L367-T395 PolarHBondContact O-N 3.04Å; D368-T395 WeakPolarHBondContact CA-O 3.24Å; L369-T395 PolarHBondContact N-O 3.33Å; S370-T395 VanDerWaalsContact OG-CG2 3.26Å; S370-T395 WeakPolarHBondContact OG-CG2 3.36Å; T395-N397 WeakPolarHBondContact CG2-ND2 3.41Å
396	L	97.9	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.			trans	-125.1	47.6	-180	-49	-179.3	0	0	0	109.4	L369 L375 V380 L394 C399 I410 S421 L422 N425	L369-L396 HydrophobicContact CB-CD2 4.23Å; L375-L396 HydrophobicContact CD2-CB 3.95Å; L375-L396 HydrophobicContact CD2-CD1 4.01Å; L375-L396 HydrophobicContact CD2-CD2 3.5Å; L375-L396 HydrophobicContact CD2-CG 4Å; V380-L396 HydrophobicContact CG2-CD1 4.12Å; L394-L396 HydrophobicContact CD1-CD1 4.33Å; L394-L396 HydrophobicContact CD1-CD2 3.6Å; L394-L396 HydrophobicContact CD1-CG 3.94Å; L394-L396 HydrophobicContact CD2-CD1 4.23Å; L394-L396 HydrophobicContact CG-CD1 4.25Å; L394-L396 HydrophobicContact CG-CD2 4.22Å; L394-L396 HydrophobicContact CG-CG 3.99Å; L396-C399 VanDerWaalsContact C-SG 3.57Å; L396-C399 HydrophobicContact CB-CB 4.37Å; L396-I410 HydrophobicContact CD1-CD1 3.92Å; L396-S421 PolarHBondContact N-O 3.42Å; L396-L422 HydrophobicContact CB-CD2 4.03Å; L396-L422 HydrophobicContact CD1-CD2 4.42Å; L396-N425 PolarHBondContact O-ND2 3.11Å
397	N	97	Very high	97.1	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.112	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	141	-177.6	-59.7	-27.9	0	0	0	109.6	S370 E371 T395 C399 S421 L422 I423	S370-N397 CarbonylContact C-O 3.59Å; S370-N397 WeakPolarHBondContact CA-O 3.49Å; E371-N397 PolarHBondContact N-O 3.3Å; T395-N397 WeakPolarHBondContact CG2-ND2 3.41Å; N397-C399 PolarHBondContact O-N 3.05Å; N397-C399 PolarHBondContact O-SG 3.39Å; N397-S421 PolarHBondContact ND2-OG 2.95Å; N397-S421 VanDerWaalsContact OD1-C 3.26Å; N397-S421 WeakPolarHBondContact OD1-CB 3.43Å; N397-S421 PolarHBondContact OD1-O 3.41Å; N397-S421 PolarHBondContact OD1-OG 3.45Å; N397-L422 PolarHBondContact OD1-N 3.41Å; N397-I423 CarbonylContact C-O 3.36Å; N397-I423 VanDerWaalsContact CA-O 3.28Å; N397-I423 WeakPolarHBondContact CA-O 3.4Å; N397-I423 HydrophobicContact CB-CB 3.97Å; N397-I423 WeakPolarHBondContact OD1-CB 3.44Å; N397-I423 WeakPolarHBondContact OD1-CG1 3.5Å; N397-I423 PolarHBondContact OD1-N 3.48Å
398	W	97.4	Very high	97.3	Very high	94 Å²	94	47 Å²	47	36%	0.356	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	35.7	176.3	-52.1	105.7	0	0	0	113.4	E371 W400 I423	E371-W398 HydrophobicContact CG-CB 3.71Å; E371-W398 HydrophobicContact CG-CG 4.07Å; W398-W400 HydrophobicContact CE3-CZ2 4.12Å; W398-W400 AromaticContact CE3-NE1 3.52Å; W398-I423 HydrophobicContact CZ2-CG2 4.43Å; W398-I423 PolarHBondContact N-O 3.21Å
399	C	97.7	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.233	C	C	.	.			trans	-105.1	71.4	177.9	-64.7	0	0	0	0	109.5	L369 L375 L396 N397 E401 V402 N425	L369-C399 PolarHBondContact O-SG 3.3Å; L375-C399 HydrophobicContact CB-CB 4.24Å; L375-C399 HydrophobicContact CD2-CB 3.71Å; L375-C399 WeakPolarHBondContact CD2-SG 3.46Å; L375-C399 HydrophobicContact CG-CB 4.4Å; L396-C399 VanDerWaalsContact C-SG 3.57Å; L396-C399 HydrophobicContact CB-CB 4.37Å; N397-C399 PolarHBondContact O-N 3.05Å; N397-C399 PolarHBondContact O-SG 3.39Å; C399-E401 PolarHBondContact O-N 3.41Å; C399-V402 HydrophobicContact CB-CG2 3.86Å; C399-V402 WeakPolarHBondContact O-CB 3.49Å; C399-V402 WeakPolarHBondContact O-CG2 3.34Å; C399-V402 PolarHBondContact O-N 3.25Å; C399-N425 WeakPolarHBondContact CA-OD1 3.32Å; C399-N425 PolarHBondContact N-OD1 3.41Å; C399-N425 PolarHBondContact O-OD1 3.02Å
400	W	95.9	Very high	97.5	Very high	150 Å²	150	46.2 Å²	46.2	57%	0.568	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	-163	-54.3	-38.5	0	0	0	116.6	W398 V402 G424	W398-W400 HydrophobicContact CE3-CZ2 4.12Å; W398-W400 AromaticContact CE3-NE1 3.52Å; W400-V402 VanDerWaalsContact C-N 3.31Å; W400-G424 PolarHBondContact NE1-O 3.12Å
401	E	97.5	Very high	97.7	Very high	123 Å²	123	41.2 Å²	41.2	58%	0.575	19%	0.188	S	C	*	.	B	Isolated β-bridge	trans	-86.9	-1.2	175.4	-61.4	-64.1	146.6	0	0	112.8	N376 C399	N376-E401 HydrophobicContact CB-CB 3.79Å; C399-E401 PolarHBondContact O-N 3.41Å
402	V	98.3	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.212	C	C	.	.			trans	-83.2	122.9	169.9	179.7	0	0	0	0	109.2	L375 V380 C399 W400 V427	L375-V402 HydrophobicContact CD2-CG2 3.92Å; L375-V402 HydrophobicContact CG-CG2 3.94Å; V380-V402 HydrophobicContact CG2-CG1 4.3Å; V380-V402 HydrophobicContact CG2-CG2 3.97Å; C399-V402 HydrophobicContact CB-CG2 3.86Å; C399-V402 WeakPolarHBondContact O-CB 3.49Å; C399-V402 WeakPolarHBondContact O-CG2 3.34Å; C399-V402 PolarHBondContact O-N 3.25Å; W400-V402 VanDerWaalsContact C-N 3.31Å; V402-V427 WeakPolarHBondContact O-CG2 3.36Å
403	T	98.2	Very high	97.8	Very high	44 Å²	44	44.5 Å²	44.5	27%	0.27	21%	0.209	S	C	.	.			trans	-115.2	-175.7	-178.2	80.3	0	0	0	0	111.4	D377 I405 G406 V407 V427	D377-T403 PolarHBondContact OD1-N 3.05Å; D377-T403 WeakPolarHBondContact OD2-CB 3.11Å; D377-T403 PolarHBondContact OD2-OG1 3.48Å; T403-I405 PolarHBondContact O-N 3.39Å; T403-I405 VanDerWaalsContact O-N 3.11Å; T403-I405 PolarHBondContact OG1-N 3.44Å; T403-I405 VanDerWaalsContact OG1-N 3.13Å; T403-G406 PolarHBondContact O-N 2.96Å; T403-G406 VanDerWaalsContact O-N 3.16Å; T403-V407 WeakPolarHBondContact O-CG2 3.27Å; T403-V407 PolarHBondContact O-N 3.19Å; T403-V407 VanDerWaalsContact O-N 3.12Å; T403-V427 HydrophobicContact CG2-CG2 4.3Å
404	D	98.4	Very high	97.9	Very high	28 Å²	28	42.7 Å²	42.7	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-55.3	-23.3	170.6	-69.6	-90.7	0	0	0	113.2	N408 Q429 G430	D404-N408 WeakPolarHBondContact O-CB 3.22Å; D404-N408 VanDerWaalsContact O-CG 3.23Å; D404-N408 PolarHBondContact O-N 3.44Å; D404-N408 PolarHBondContact O-ND2 3.34Å; D404-Q429 PolarHBondContact OD1-N 3.2Å; D404-Q429 PolarHBondContact OD2-N 2.87Å; D404-G430 PolarHBondContact OD1-N 3.04Å
405	I	98.5	Very high	97.9	Very high	108 Å²	108	45.3 Å²	45.3	55%	0.554	22%	0.22	S	C	*	.	H	α-helix	trans	-64.2	-51.3	175.1	-60.4	173.5	0	0	0	110.3	D377 T403 N408 Q409	D377-I405 HydrophobicContact CB-CB 4.31Å; D377-I405 HydrophobicContact CB-CG2 4.23Å; T403-I405 PolarHBondContact O-N 3.39Å; T403-I405 VanDerWaalsContact O-N 3.11Å; T403-I405 PolarHBondContact OG1-N 3.44Å; T403-I405 VanDerWaalsContact OG1-N 3.13Å; I405-N408 PolarHBondContact O-N 2.95Å; I405-Q409 PolarHBondContact O-N 2.95Å; I405-Q409 VanDerWaalsContact O-N 3.12Å
406	G	98.5	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-40.3	176.5	0	0	0	0	0	112.4	D377 V380 T403 Q409 I410	D377-G406 VanDerWaalsContact OD1-CA 3.24Å; D377-G406 WeakPolarHBondContact OD1-CA 3.48Å; D377-G406 PolarHBondContact OD1-N 2.93Å; V380-G406 WeakPolarHBondContact CG1-O 3.35Å; T403-G406 PolarHBondContact O-N 2.96Å; T403-G406 VanDerWaalsContact O-N 3.16Å; G406-Q409 WeakPolarHBondContact O-CB 3.47Å; G406-Q409 PolarHBondContact O-N 3.09Å; G406-I410 WeakPolarHBondContact O-CG1 3.25Å; G406-I410 PolarHBondContact O-N 3Å
407	V	98.6	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-44.1	176.6	178.2	0	0	0	0	111.8	T403 Q409 I410 I411 L422 I428 A432 F433	T403-V407 WeakPolarHBondContact O-CG2 3.27Å; T403-V407 PolarHBondContact O-N 3.19Å; T403-V407 VanDerWaalsContact O-N 3.12Å; V407-Q409 VanDerWaalsContact C-N 3.26Å; V407-Q409 PolarHBondContact O-N 2.79Å; V407-I410 PolarHBondContact O-N 2.77Å; V407-I411 HydrophobicContact CG1-CD1 3.79Å; V407-I411 WeakPolarHBondContact O-CG1 3.46Å; V407-I411 PolarHBondContact O-N 3.35Å; V407-L422 HydrophobicContact CG2-CD1 4.01Å; V407-I428 HydrophobicContact CG2-CD1 3.73Å; V407-I428 HydrophobicContact CG2-CG1 4.23Å; V407-I428 HydrophobicContact CG2-CG2 4.12Å; V407-A432 HydrophobicContact CG1-CB 4.07Å; V407-F433 HydrophobicContact CG1-CD1 4.18Å; V407-F433 HydrophobicContact CG1-CE1 3.46Å; V407-F433 VanDerWaalsContact CG1-CE1 3.46Å; V407-F433 HydrophobicContact CG1-CZ 4.01Å
408	N	98.4	Very high	97.7	Very high	75 Å²	75	50.9 Å²	50.9	40%	0.401	24%	0.244	S	C	.	.	H	α-helix	trans	-56.9	-43.8	174.2	-80.9	-53	0	0	0	110.8	D404 I405 I410 I411 E412 A432	D404-N408 WeakPolarHBondContact O-CB 3.22Å; D404-N408 VanDerWaalsContact O-CG 3.23Å; D404-N408 PolarHBondContact O-N 3.44Å; D404-N408 PolarHBondContact O-ND2 3.34Å; I405-N408 PolarHBondContact O-N 2.95Å; N408-I410 PolarHBondContact O-N 2.86Å; N408-I411 PolarHBondContact O-N 3.03Å; N408-E412 WeakPolarHBondContact O-CB 3.44Å; N408-E412 PolarHBondContact O-N 3.14Å; N408-A432 WeakPolarHBondContact OD1-CB 3.45Å
409	Q	98.3	Very high	97.6	Very high	61 Å²	61	47.2 Å²	47.2	29%	0.285	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-42.4	178.7	-169.7	67.2	8.6	0	0	112.5	M381 C384 I405 G406 V407 E412 I413	M381-Q409 HydrophobicContact CG-CG 4Å; C384-Q409 HydrophobicContact CB-CG 3.94Å; I405-Q409 PolarHBondContact O-N 2.95Å; I405-Q409 VanDerWaalsContact O-N 3.12Å; G406-Q409 WeakPolarHBondContact O-CB 3.47Å; G406-Q409 PolarHBondContact O-N 3.09Å; V407-Q409 VanDerWaalsContact C-N 3.26Å; V407-Q409 PolarHBondContact O-N 2.79Å; Q409-E412 PolarHBondContact O-N 3.35Å; Q409-I413 HydrophobicContact CG-CG1 4.44Å; Q409-I413 WeakPolarHBondContact O-CG1 3.28Å; Q409-I413 PolarHBondContact O-N 3.01Å
410	I	98.7	Very high	97.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-48.1	176.2	-68.8	162.1	0	0	0	110.3	V380 L394 L396 G406 V407 N408 E412 I413 C414 L417 L420	V380-I410 HydrophobicContact CG1-CD1 3.73Å; V380-I410 HydrophobicContact CG1-CG1 3.59Å; L394-I410 HydrophobicContact CD2-CD1 3.72Å; L394-I410 HydrophobicContact CD2-CG1 3.89Å; L394-I410 HydrophobicContact CD2-CG2 3.96Å; L396-I410 HydrophobicContact CD1-CD1 3.92Å; G406-I410 WeakPolarHBondContact O-CG1 3.25Å; G406-I410 PolarHBondContact O-N 3Å; V407-I410 PolarHBondContact O-N 2.77Å; N408-I410 PolarHBondContact O-N 2.86Å; I410-E412 VanDerWaalsContact C-N 3.29Å; I410-E412 PolarHBondContact O-N 3.46Å; I410-I413 PolarHBondContact O-N 2.82Å; I410-C414 HydrophobicContact CG2-CB 4.29Å; I410-C414 WeakPolarHBondContact O-CA 3.29Å; I410-C414 WeakPolarHBondContact O-CB 3.17Å; I410-C414 PolarHBondContact O-N 3.11Å; I410-L417 HydrophobicContact CG2-CD2 4.05Å; I410-L420 HydrophobicContact CG2-CD1 4.32Å; I410-L420 HydrophobicContact CG2-CD2 4.24Å
411	I	98.5	Very high	97.5	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-31.7	-177.2	-68	168.5	0	0	0	111.5	V407 N408 A432 F433 D435 I436 K439 V440	V407-I411 HydrophobicContact CG1-CD1 3.79Å; V407-I411 WeakPolarHBondContact O-CG1 3.46Å; V407-I411 PolarHBondContact O-N 3.35Å; N408-I411 PolarHBondContact O-N 3.03Å; I411-A432 HydrophobicContact CD1-CB 3.57Å; I411-A432 WeakPolarHBondContact CD1-O 3.19Å; I411-F433 HydrophobicContact CD1-CD1 3.7Å; I411-F433 HydrophobicContact CD1-CE1 4.18Å; I411-D435 HydrophobicContact CG2-CB 4.07Å; I411-I436 HydrophobicContact CD1-CD1 4.37Å; I411-I436 HydrophobicContact CD1-CG1 4.04Å; I411-I436 HydrophobicContact CG1-CG1 4.25Å; I411-I436 HydrophobicContact CG2-CG1 4.41Å; I411-K439 HydrophobicContact CG2-CB 4.18Å; I411-K439 HydrophobicContact CG2-CD 4.18Å; I411-K439 VanDerWaalsContact O-CB 3.28Å; I411-K439 WeakPolarHBondContact O-CB 3.38Å; I411-V440 HydrophobicContact CB-CG2 4.46Å; I411-V440 HydrophobicContact CG2-CG2 4.17Å; I411-V440 WeakPolarHBondContact O-CG2 3.25Å
412	E	98.2	Very high	97.5	Very high	106 Å²	106	34.3 Å²	34.3	50%	0.495	18%	0.177	S	C	.	.	H	α-helix	trans	-71.3	-41.3	177	-168.5	64.5	-157.2	0	0	112.8	N408 Q409 I410 K439	N408-E412 WeakPolarHBondContact O-CB 3.44Å; N408-E412 PolarHBondContact O-N 3.14Å; Q409-E412 PolarHBondContact O-N 3.35Å; I410-E412 VanDerWaalsContact C-N 3.29Å; I410-E412 PolarHBondContact O-N 3.46Å; E412-K439 WeakPolarHBondContact OE2-CD 3.47Å; E412-K439 WeakPolarHBondContact OE2-CE 3.42Å; E412-K439 IonicContact OE2-NZ 3.55Å; E412-K439 PolarHBondContact OE2-NZ 3.12Å
413	I	98	Very high	97.4	Very high	62 Å²	62	35.4 Å²	35.4	32%	0.318	18%	0.183	S	C	.	.	H	α-helix	trans	-102.7	-34.6	-167.8	-55.4	-59.9	0	0	0	113.2	C384 Q409 I410 S415	C384-I413 HydrophobicContact CB-CB 3.99Å; C384-I413 HydrophobicContact CB-CG1 4.17Å; C384-I413 HydrophobicContact CB-CG2 4.01Å; C384-I413 WeakPolarHBondContact O-CG2 3.45Å; Q409-I413 HydrophobicContact CG-CG1 4.44Å; Q409-I413 WeakPolarHBondContact O-CG1 3.28Å; Q409-I413 PolarHBondContact O-N 3.01Å; I410-I413 PolarHBondContact O-N 2.82Å; I413-S415 VanDerWaalsContact C-N 3.3Å; I413-S415 PolarHBondContact O-N 3.22Å
414	C	98	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.			trans	-86.4	58.9	-171.7	-61.4	0	0	0	0	113.1	G388 I410 S416 L417	G388-C414 WeakPolarHBondContact O-CA 3.45Å; G388-C414 PolarHBondContact O-SG 2.95Å; I410-C414 HydrophobicContact CG2-CB 4.29Å; I410-C414 WeakPolarHBondContact O-CA 3.29Å; I410-C414 WeakPolarHBondContact O-CB 3.17Å; I410-C414 PolarHBondContact O-N 3.11Å; C414-S416 PolarHBondContact O-N 2.78Å; C414-S416 VanDerWaalsContact O-N 3.11Å; C414-L417 HydrophobicContact CB-CB 4.12Å; C414-L417 HydrophobicContact CB-CD2 4.43Å; C414-L417 WeakPolarHBondContact O-CB 3.38Å; C414-L417 PolarHBondContact O-N 3.02Å; C414-L417 VanDerWaalsContact O-N 3.1Å
415	S	97	Very high	97.2	Very high	57 Å²	57	32.1 Å²	32.1	40%	0.399	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.3	-176.1	63.4	0	0	0	0	114.9	I413	I413-S415 VanDerWaalsContact C-N 3.3Å; I413-S415 PolarHBondContact O-N 3.22Å
416	S	96.6	Very high	96.9	Very high	44 Å²	44	29.2 Å²	29.2	31%	0.308	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.7	179.9	-60.4	0	0	0	0	113.7	S389 L391 C414 R418	S389-S416 WeakPolarHBondContact O-CB 3.32Å; S389-S416 PolarHBondContact O-OG 3.07Å; L391-S416 CarbonylContact O-C 3.56Å; L391-S416 VanDerWaalsContact O-C 3.31Å; C414-S416 PolarHBondContact O-N 2.78Å; C414-S416 VanDerWaalsContact O-N 3.11Å; S416-R418 PolarHBondContact O-N 3.39Å
417	L	96.8	Very high	96.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.172	C	C	.	.			trans	-65.9	133.9	-171.7	-160.1	70.9	0	0	0	111.3	L391 L394 I410 C414 L420 V440 H442 L443	L391-L417 HydrophobicContact CB-CD1 4.17Å; L391-L417 WeakPolarHBondContact O-CA 3.17Å; L391-L417 PolarHBondContact O-N 3.24Å; L394-L417 HydrophobicContact CB-CD1 3.79Å; I410-L417 HydrophobicContact CG2-CD2 4.05Å; C414-L417 HydrophobicContact CB-CB 4.12Å; C414-L417 HydrophobicContact CB-CD2 4.43Å; C414-L417 WeakPolarHBondContact O-CB 3.38Å; C414-L417 PolarHBondContact O-N 3.02Å; C414-L417 VanDerWaalsContact O-N 3.1Å; L417-L420 HydrophobicContact CD2-CB 3.79Å; L417-L420 HydrophobicContact CD2-CD1 4.24Å; L417-L420 HydrophobicContact CD2-CD2 4.41Å; L417-L420 HydrophobicContact CD2-CG 4.37Å; L417-V440 HydrophobicContact CB-CG1 3.77Å; L417-H442 CarbonylContact O-C 3.31Å; L417-L443 HydrophobicContact CB-CD1 4.33Å; L417-L443 HydrophobicContact CD2-CD1 4.13Å; L417-L443 HydrophobicContact CG-CD1 4.09Å; L417-L443 WeakPolarHBondContact O-CA 3.42Å; L417-L443 PolarHBondContact O-N 3.31Å
418	R	94.7	Very high	96.7	Very high	111 Å²	111	32.2 Å²	32.2	42%	0.419	17%	0.172	S	C	.	.	S	Bend	trans	-110.6	-30.2	177.7	-61.2	-170.5	-179.9	-79.7	0.5	112	R392 S416 V444 I445	R392-R418 HydrophobicContact CB-CG 4.47Å; R392-R418 WeakPolarHBondContact O-CA 3.4Å; R392-R418 WeakPolarHBondContact O-CB 3.45Å; R392-R418 PolarHBondContact O-N 3.33Å; S416-R418 PolarHBondContact O-N 3.39Å; R418-V444 WeakPolarHBondContact O-CA 3.3Å; R418-V444 PolarHBondContact O-N 3.26Å; R418-I445 PolarHBondContact O-N 3.15Å
419	Q	94.5	Very high	96.5	Very high	16 Å²	16	33 Å²	33	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.7	177.6	178.1	172.8	-35.2	0	0	110.5	R392 F393 L394 I445 S492	R392-Q419 PolarHBondContact O-N 2.91Å; F393-Q419 HydrophobicContact CD1-CB 3.63Å; F393-Q419 HydrophobicContact CD1-CG 4.32Å; F393-Q419 HydrophobicContact CE1-CB 4.14Å; F393-Q419 HydrophobicContact CG-CB 4.37Å; L394-Q419 PolarHBondContact N-O 3.38Å; Q419-I445 WeakPolarHBondContact CA-O 3.21Å; Q419-I445 HydrophobicContact CB-CB 4.32Å; Q419-I445 HydrophobicContact CG-CB 4.03Å; Q419-I445 HydrophobicContact CG-CG2 4.06Å; Q419-S492 PolarHBondContact OE1-OG 3.23Å
420	L	96.5	Very high	96.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.9	168.6	-177.5	55	0	0	0	109.1	L394 I410 L417 L422 L443 I445 L446 N447	L394-L420 HydrophobicContact CB-CD1 4.2Å; L394-L420 HydrophobicContact CD2-CD1 4.09Å; L394-L420 HydrophobicContact CG-CD1 4.17Å; L394-L420 WeakPolarHBondContact O-CA 3.5Å; I410-L420 HydrophobicContact CG2-CD1 4.32Å; I410-L420 HydrophobicContact CG2-CD2 4.24Å; L417-L420 HydrophobicContact CD2-CB 3.79Å; L417-L420 HydrophobicContact CD2-CD1 4.24Å; L417-L420 HydrophobicContact CD2-CD2 4.41Å; L417-L420 HydrophobicContact CD2-CG 4.37Å; L420-L422 HydrophobicContact CD1-CD1 4.45Å; L420-L422 HydrophobicContact CD1-CD2 4.15Å; L420-L422 HydrophobicContact CD1-CG 4.1Å; L420-L422 HydrophobicContact CD2-CD1 4.08Å; L420-L422 HydrophobicContact CG-CD1 4.15Å; L420-L422 HydrophobicContact CG-CG 4.08Å; L420-L443 HydrophobicContact CB-CD1 4.2Å; L420-I445 PolarHBondContact N-O 3.09Å; L420-L446 HydrophobicContact CB-CD1 4.12Å; L420-L446 HydrophobicContact CD2-CD1 4.01Å; L420-L446 HydrophobicContact CG-CD1 4.15Å; L420-L446 WeakPolarHBondContact O-CA 3.32Å; L420-N447 PolarHBondContact O-N 3.37Å
421	S	96	Very high	96.2	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.4	176.3	-172.6	0	0	0	0	109.7	L394 L396 N397	L394-S421 PolarHBondContact O-N 3.25Å; L396-S421 PolarHBondContact N-O 3.42Å; N397-S421 PolarHBondContact ND2-OG 2.95Å; N397-S421 VanDerWaalsContact OD1-C 3.26Å; N397-S421 WeakPolarHBondContact OD1-CB 3.43Å; N397-S421 PolarHBondContact OD1-O 3.41Å; N397-S421 PolarHBondContact OD1-OG 3.45Å
422	L	97.5	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.			trans	-129.3	31.2	-176.5	-63.2	171.7	0	0	0	111	L396 N397 V407 L420 G424 N425 I428 F433 N447 L448 C451	L396-L422 HydrophobicContact CB-CD2 4.03Å; L396-L422 HydrophobicContact CD1-CD2 4.42Å; N397-L422 PolarHBondContact OD1-N 3.41Å; V407-L422 HydrophobicContact CG2-CD1 4.01Å; L420-L422 HydrophobicContact CD1-CD1 4.45Å; L420-L422 HydrophobicContact CD1-CD2 4.15Å; L420-L422 HydrophobicContact CD1-CG 4.1Å; L420-L422 HydrophobicContact CD2-CD1 4.08Å; L420-L422 HydrophobicContact CG-CD1 4.15Å; L420-L422 HydrophobicContact CG-CG 4.08Å; L422-G424 PolarHBondContact O-N 3.06Å; L422-N425 WeakPolarHBondContact CA-ND2 3.49Å; L422-N425 WeakPolarHBondContact O-CB 3.47Å; L422-N425 PolarHBondContact O-N 3.17Å; L422-N425 PolarHBondContact O-ND2 3.32Å; L422-I428 HydrophobicContact CB-CD1 4.44Å; L422-I428 HydrophobicContact CD1-CD1 4.13Å; L422-F433 HydrophobicContact CD1-CE1 4.29Å; L422-F433 HydrophobicContact CD1-CZ 4.08Å; L422-N447 PolarHBondContact N-O 3.22Å; L422-L448 HydrophobicContact CB-CD2 4.13Å; L422-L448 HydrophobicContact CD1-CD2 4.1Å; L422-C451 PolarHBondContact O-SG 3.03Å
423	I	96	Very high	96	Very high	23 Å²	23	32 Å²	32	12%	0.118	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	134.2	-174	-59.9	174.9	0	0	0	110.5	N397 W398 N425 N447 T449 F489	N397-I423 CarbonylContact C-O 3.36Å; N397-I423 VanDerWaalsContact CA-O 3.28Å; N397-I423 WeakPolarHBondContact CA-O 3.4Å; N397-I423 HydrophobicContact CB-CB 3.97Å; N397-I423 WeakPolarHBondContact OD1-CB 3.44Å; N397-I423 WeakPolarHBondContact OD1-CG1 3.5Å; N397-I423 PolarHBondContact OD1-N 3.48Å; W398-I423 HydrophobicContact CZ2-CG2 4.43Å; W398-I423 PolarHBondContact N-O 3.21Å; I423-N425 PolarHBondContact O-N 3.16Å; I423-N447 HydrophobicContact CG1-CB 4.45Å; I423-T449 CarbonylContact C-O 3.51Å; I423-T449 WeakPolarHBondContact CA-O 3.42Å; I423-T449 HydrophobicContact CG2-CG2 4.46Å; I423-T449 WeakPolarHBondContact CG2-O 3.45Å; I423-F489 HydrophobicContact CD1-CZ 4.17Å
424	G	95.9	Very high	95.9	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.5	172.8	0	0	0	0	0	115.5	W400 L422 S426 T449 Q450	W400-G424 PolarHBondContact NE1-O 3.12Å; L422-G424 PolarHBondContact O-N 3.06Å; G424-S426 PolarHBondContact O-N 3.01Å; G424-S426 VanDerWaalsContact O-N 3.13Å; G424-T449 PolarHBondContact N-O 3.3Å; G424-Q450 WeakPolarHBondContact CA-O 3.47Å
425	N	96.8	Very high	95.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.			trans	-79.5	93	171	-68.4	-57.2	0	0	0	109.8	L396 C399 L422 I423 V427 I428 C451	L396-N425 PolarHBondContact O-ND2 3.11Å; C399-N425 WeakPolarHBondContact CA-OD1 3.32Å; C399-N425 PolarHBondContact N-OD1 3.41Å; C399-N425 PolarHBondContact O-OD1 3.02Å; L422-N425 WeakPolarHBondContact CA-ND2 3.49Å; L422-N425 WeakPolarHBondContact O-CB 3.47Å; L422-N425 PolarHBondContact O-N 3.17Å; L422-N425 PolarHBondContact O-ND2 3.32Å; I423-N425 PolarHBondContact O-N 3.16Å; N425-V427 PolarHBondContact O-N 2.82Å; N425-I428 HydrophobicContact CB-CD1 3.42Å; N425-I428 VanDerWaalsContact CB-CD1 3.42Å; N425-I428 HydrophobicContact CB-CG1 4.03Å; N425-C451 PolarHBondContact O-SG 3.26Å; N425-C451 VanDerWaalsContact O-SG 3.38Å
426	S	91.7	Very high	95.9	Very high	47 Å²	47	31.1 Å²	31.1	33%	0.329	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-22.1	-167.6	58.5	0	0	0	0	114.7	G424 H453	G424-S426 PolarHBondContact O-N 3.01Å; G424-S426 VanDerWaalsContact O-N 3.13Å; S426-H453 PolarHBondContact O-CD2 3.44Å
427	V	95	Very high	95.9	Very high	64 Å²	64	30.7 Å²	30.7	39%	0.388	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-14.3	-174.5	-63.3	0	0	0	0	114.6	V402 T403 N425 Q429	V402-V427 WeakPolarHBondContact O-CG2 3.36Å; T403-V427 HydrophobicContact CG2-CG2 4.3Å; N425-V427 PolarHBondContact O-N 2.82Å; V427-Q429 PolarHBondContact O-N 3.05Å
428	I	96.9	Very high	95.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.			trans	-73	125.5	-174.3	-63.4	174.6	0	0	0	110.8	V407 L422 N425 F433 H453 V454	V407-I428 HydrophobicContact CG2-CD1 3.73Å; V407-I428 HydrophobicContact CG2-CG1 4.23Å; V407-I428 HydrophobicContact CG2-CG2 4.12Å; L422-I428 HydrophobicContact CB-CD1 4.44Å; L422-I428 HydrophobicContact CD1-CD1 4.13Å; N425-I428 HydrophobicContact CB-CD1 3.42Å; N425-I428 VanDerWaalsContact CB-CD1 3.42Å; N425-I428 HydrophobicContact CB-CG1 4.03Å; I428-F433 HydrophobicContact CG2-CE2 4.42Å; I428-F433 HydrophobicContact CG2-CZ 4.21Å; I428-H453 CarbonylContact O-C 3.19Å; I428-H453 WeakPolarHBondContact O-CB 3.25Å; I428-V454 HydrophobicContact CG2-CG2 4.36Å; I428-V454 WeakPolarHBondContact O-CG2 2.99Å
429	Q	95.9	Very high	96.1	Very high	91 Å²	91	35.1 Å²	35.1	43%	0.425	19%	0.188	S	C	.	.			trans	-90.3	-25.2	176.3	-60.8	179.1	13.1	0	0	113.1	D404 V427 H453 V454	D404-Q429 PolarHBondContact OD1-N 3.2Å; D404-Q429 PolarHBondContact OD2-N 2.87Å; V427-Q429 PolarHBondContact O-N 3.05Å; Q429-H453 HydrophobicContact CG-CB 4.37Å; Q429-V454 WeakPolarHBondContact O-CA 3.47Å
430	G	93.9	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.			trans	80.4	18	169.9	0	0	0	0	0	115.6	D404 A432 F433	D404-G430 PolarHBondContact OD1-N 3.04Å; G430-A432 PolarHBondContact O-N 3.14Å; G430-F433 VanDerWaalsContact O-CB 3.32Å; G430-F433 WeakPolarHBondContact O-CB 3.36Å; G430-F433 WeakPolarHBondContact O-CD2 3.45Å; G430-F433 WeakPolarHBondContact O-CG 3.38Å; G430-F433 PolarHBondContact O-N 2.97Å
431	K	95	Very high	96.1	Very high	147 Å²	147	37.5 Å²	37.5	64%	0.639	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-57.4	-35.3	178.6	-65.9	-178.3	-175.3	169.3	0	112.5	F433 A434	K431-F433 PolarHBondContact O-N 3.04Å; K431-A434 PolarHBondContact O-N 3.17Å
432	A	96.3	Very high	96	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-60.6	-25.5	178.6	0	0	0	0	0	113.4	V407 N408 I411 G430 A434 D435	V407-A432 HydrophobicContact CG1-CB 4.07Å; N408-A432 WeakPolarHBondContact OD1-CB 3.45Å; I411-A432 HydrophobicContact CD1-CB 3.57Å; I411-A432 WeakPolarHBondContact CD1-O 3.19Å; G430-A432 PolarHBondContact O-N 3.14Å; A432-A434 PolarHBondContact O-N 3.06Å; A432-A434 VanDerWaalsContact O-N 3.14Å; A432-D435 WeakPolarHBondContact O-CB 3.32Å; A432-D435 PolarHBondContact O-N 3.22Å
433	F	97.5	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21.8	-177.8	-57.8	-38.5	0	0	0	112.9	V407 I411 L422 I428 G430 K431 D435 I436 L446 L448 V454 I458 L459 L462	V407-F433 HydrophobicContact CG1-CD1 4.18Å; V407-F433 HydrophobicContact CG1-CE1 3.46Å; V407-F433 VanDerWaalsContact CG1-CE1 3.46Å; V407-F433 HydrophobicContact CG1-CZ 4.01Å; I411-F433 HydrophobicContact CD1-CD1 3.7Å; I411-F433 HydrophobicContact CD1-CE1 4.18Å; L422-F433 HydrophobicContact CD1-CE1 4.29Å; L422-F433 HydrophobicContact CD1-CZ 4.08Å; I428-F433 HydrophobicContact CG2-CE2 4.42Å; I428-F433 HydrophobicContact CG2-CZ 4.21Å; G430-F433 VanDerWaalsContact O-CB 3.32Å; G430-F433 WeakPolarHBondContact O-CB 3.36Å; G430-F433 WeakPolarHBondContact O-CD2 3.45Å; G430-F433 WeakPolarHBondContact O-CG 3.38Å; G430-F433 PolarHBondContact O-N 2.97Å; K431-F433 PolarHBondContact O-N 3.04Å; F433-D435 PolarHBondContact O-N 3.03Å; F433-I436 HydrophobicContact CB-CD1 3.96Å; F433-I436 HydrophobicContact CD1-CD1 3.78Å; F433-I436 HydrophobicContact CG-CD1 4.26Å; F433-I436 WeakPolarHBondContact O-CB 3.46Å; F433-I436 WeakPolarHBondContact O-CG1 3.42Å; F433-I436 PolarHBondContact O-N 2.72Å; F433-L446 HydrophobicContact CD1-CD2 4.27Å; F433-L446 HydrophobicContact CE1-CD1 4.25Å; F433-L446 HydrophobicContact CG-CD2 4.3Å; F433-L448 HydrophobicContact CD2-CD1 3.96Å; F433-L448 HydrophobicContact CE1-CD2 4.45Å; F433-L448 HydrophobicContact CE2-CD1 3.52Å; F433-L448 HydrophobicContact CE2-CD2 3.8Å; F433-L448 HydrophobicContact CE2-CG 4.33Å; F433-L448 HydrophobicContact CZ-CD1 4.1Å; F433-L448 HydrophobicContact CZ-CD2 3.56Å; F433-L448 HydrophobicContact CZ-CG 4.48Å; F433-V454 HydrophobicContact CD2-CG1 4.14Å; F433-V454 HydrophobicContact CE2-CG1 4.12Å; F433-V454 HydrophobicContact CE2-CG2 4.01Å; F433-I458 HydrophobicContact CB-CG2 4.06Å; F433-L459 HydrophobicContact CD2-CD2 4.39Å; F433-L462 HydrophobicContact CB-CD2 4.31Å
434	A	95.8	Very high	95.6	Very high	38 Å²	38	44.9 Å²	44.9	31%	0.314	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.2	-23.8	174.1	0	0	0	0	0	113.4	K431 A432 P437 R465	K431-A434 PolarHBondContact O-N 3.17Å; A432-A434 PolarHBondContact O-N 3.06Å; A432-A434 VanDerWaalsContact O-N 3.14Å; A434-P437 WeakPolarHBondContact O-CD 3.4Å; A434-R465 PolarHBondContact O-NH1 3.05Å; A434-R465 PolarHBondContact O-NH2 3.35Å
435	D	97.1	Very high	95.5	Very high	62 Å²	62	45.1 Å²	45.1	33%	0.332	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-87.4	-12.3	-180	-72.5	-8.2	0	0	0	113.5	I411 A432 F433 P437 L438 K439	I411-D435 HydrophobicContact CG2-CB 4.07Å; A432-D435 WeakPolarHBondContact O-CB 3.32Å; A432-D435 PolarHBondContact O-N 3.22Å; F433-D435 PolarHBondContact O-N 3.03Å; D435-P437 VanDerWaalsContact C-CD 3.46Å; D435-P437 VanDerWaalsContact C-N 3.34Å; D435-L438 PolarHBondContact O-N 3.27Å; D435-K439 HydrophobicContact CB-CD 3.97Å; D435-K439 HydrophobicContact CB-CG 4.36Å; D435-K439 PolarHBondContact O-N 3.39Å; D435-K439 IonicContact OD2-NZ 2.7Å; D435-K439 PolarHBondContact OD2-NZ 3.07Å
436	I	98	Very high	95.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-50.6	-46.2	-177.8	-73	171.6	0	0	0	112.4	I411 F433 L438 K439 V440 L443 L446 L462 M466	I411-I436 HydrophobicContact CD1-CD1 4.37Å; I411-I436 HydrophobicContact CD1-CG1 4.04Å; I411-I436 HydrophobicContact CG1-CG1 4.25Å; I411-I436 HydrophobicContact CG2-CG1 4.41Å; F433-I436 HydrophobicContact CB-CD1 3.96Å; F433-I436 HydrophobicContact CD1-CD1 3.78Å; F433-I436 HydrophobicContact CG-CD1 4.26Å; F433-I436 WeakPolarHBondContact O-CB 3.46Å; F433-I436 WeakPolarHBondContact O-CG1 3.42Å; F433-I436 PolarHBondContact O-N 2.72Å; I436-L438 PolarHBondContact O-N 3.36Å; I436-L438 VanDerWaalsContact O-N 3.09Å; I436-K439 PolarHBondContact O-N 2.98Å; I436-V440 HydrophobicContact CG2-CB 4.39Å; I436-V440 CarbonylContact O-C 3.59Å; I436-V440 WeakPolarHBondContact O-CA 3.48Å; I436-V440 PolarHBondContact O-N 3.15Å; I436-L443 HydrophobicContact CD1-CD2 3.95Å; I436-L443 HydrophobicContact CG2-CB 4.24Å; I436-L443 HydrophobicContact CG2-CD2 3.84Å; I436-L446 HydrophobicContact CD1-CD2 3.86Å; I436-L462 HydrophobicContact CB-CD1 3.99Å; I436-L462 HydrophobicContact CD1-CD2 3.97Å; I436-L462 HydrophobicContact CG2-CD1 4.13Å; I436-M466 HydrophobicContact CG2-SD 3.73Å
437	P	96.6	Very high	95.4	Very high	35 Å²	35	43 Å²	43	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-25.4	-177.8	-27.1	38.7	0	0	0	114	A434 D435 L462 R465 M466	A434-P437 WeakPolarHBondContact O-CD 3.4Å; D435-P437 VanDerWaalsContact C-CD 3.46Å; D435-P437 VanDerWaalsContact C-N 3.34Å; P437-L462 HydrophobicContact CG-CD1 3.69Å; P437-R465 HydrophobicContact CG-CB 4.16Å; P437-M466 HydrophobicContact CB-CG 4.11Å; P437-M466 HydrophobicContact CB-SD 4.04Å; P437-M466 HydrophobicContact CG-CG 3.94Å; P437-M466 HydrophobicContact CG-SD 3.81Å
438	L	97	Very high	95.5	Very high	143 Å²	143	40 Å²	40	75%	0.749	21%	0.21	S	C	*	.	H	α-helix	trans	-90.6	-46.2	178.2	-179.4	64.6	0	0	0	111.9	D435 I436	D435-L438 PolarHBondContact O-N 3.27Å; I436-L438 PolarHBondContact O-N 3.36Å; I436-L438 VanDerWaalsContact O-N 3.09Å
439	K	97.6	Very high	95.3	Very high	62 Å²	62	41 Å²	41	27%	0.27	22%	0.216	S	C	.	.	H	α-helix	trans	-96.5	-29.6	-167.7	-61.3	-177.5	-179.7	166.2	0	114.1	I411 E412 D435 I436 P441	I411-K439 HydrophobicContact CG2-CB 4.18Å; I411-K439 HydrophobicContact CG2-CD 4.18Å; I411-K439 VanDerWaalsContact O-CB 3.28Å; I411-K439 WeakPolarHBondContact O-CB 3.38Å; E412-K439 WeakPolarHBondContact OE2-CD 3.47Å; E412-K439 WeakPolarHBondContact OE2-CE 3.42Å; E412-K439 IonicContact OE2-NZ 3.55Å; E412-K439 PolarHBondContact OE2-NZ 3.12Å; D435-K439 HydrophobicContact CB-CD 3.97Å; D435-K439 HydrophobicContact CB-CG 4.36Å; D435-K439 PolarHBondContact O-N 3.39Å; D435-K439 IonicContact OD2-NZ 2.7Å; D435-K439 PolarHBondContact OD2-NZ 3.07Å; I436-K439 PolarHBondContact O-N 2.98Å; K439-P441 WeakPolarHBondContact O-CD 3.31Å
440	V	97.1	Very high	95.2	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.214	C	C	.	.			trans	-129	58.7	-179.5	-162.9	0	0	0	0	110.2	I411 L417 I436 H442 L443	I411-V440 HydrophobicContact CB-CG2 4.46Å; I411-V440 HydrophobicContact CG2-CG2 4.17Å; I411-V440 WeakPolarHBondContact O-CG2 3.25Å; L417-V440 HydrophobicContact CB-CG1 3.77Å; I436-V440 HydrophobicContact CG2-CB 4.39Å; I436-V440 CarbonylContact O-C 3.59Å; I436-V440 WeakPolarHBondContact O-CA 3.48Å; I436-V440 PolarHBondContact O-N 3.15Å; V440-H442 PolarHBondContact O-N 2.6Å; V440-L443 HydrophobicContact CG1-CB 4.01Å; V440-L443 HydrophobicContact CG1-CD1 4.29Å; V440-L443 WeakPolarHBondContact O-CB 3.32Å; V440-L443 PolarHBondContact O-N 3.23Å; V440-L443 VanDerWaalsContact O-N 3.16Å
441	P	94.7	Very high	95.3	Very high	64 Å²	64	40.8 Å²	40.8	42%	0.416	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.4	-170.7	29.7	-37.9	0	0	0	113.8	K439 M466	K439-P441 WeakPolarHBondContact O-CD 3.31Å; P441-M466 WeakPolarHBondContact O-CE 3.32Å
442	H	93.5	Very high	95.1	Very high	109 Å²	109	38.2 Å²	38.2	51%	0.505	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	2.8	-179.7	-59.9	-48.1	0	0	0	113.8	L417 V440 V444	L417-H442 CarbonylContact O-C 3.31Å; V440-H442 PolarHBondContact O-N 2.6Å; H442-V444 WeakPolarHBondContact O-CG2 3.27Å; H442-V444 PolarHBondContact O-N 3.16Å
443	L	94.3	Very high	95	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.042	23%	0.232	C	C	.	.			trans	-63.3	128.9	177.7	-161.4	71.1	0	0	0	110	L417 L420 I436 V440 L446 L469	L417-L443 HydrophobicContact CB-CD1 4.33Å; L417-L443 HydrophobicContact CD2-CD1 4.13Å; L417-L443 HydrophobicContact CG-CD1 4.09Å; L417-L443 WeakPolarHBondContact O-CA 3.42Å; L417-L443 PolarHBondContact O-N 3.31Å; L420-L443 HydrophobicContact CB-CD1 4.2Å; I436-L443 HydrophobicContact CD1-CD2 3.95Å; I436-L443 HydrophobicContact CG2-CB 4.24Å; I436-L443 HydrophobicContact CG2-CD2 3.84Å; V440-L443 HydrophobicContact CG1-CB 4.01Å; V440-L443 HydrophobicContact CG1-CD1 4.29Å; V440-L443 WeakPolarHBondContact O-CB 3.32Å; V440-L443 PolarHBondContact O-N 3.23Å; V440-L443 VanDerWaalsContact O-N 3.16Å; L443-L446 HydrophobicContact CD2-CB 4.11Å; L443-L469 HydrophobicContact CB-CD1 4.1Å; L443-L469 HydrophobicContact CD2-CD1 3.9Å; L443-L469 HydrophobicContact CG-CD1 3.8Å
444	V	91.9	Very high	94.8	Very high	62 Å²	62	44 Å²	44	38%	0.376	24%	0.236	S	C	.	.			trans	-110.1	-30.9	179.3	-174.5	0	0	0	0	110.6	R418 H442 Y470	R418-V444 WeakPolarHBondContact O-CA 3.3Å; R418-V444 PolarHBondContact O-N 3.26Å; H442-V444 WeakPolarHBondContact O-CG2 3.27Å; H442-V444 PolarHBondContact O-N 3.16Å; V444-Y470 PolarHBondContact O-N 3.13Å
445	I	92.2	Very high	94.5	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.8	-179.4	-65.2	168.9	0	0	0	110.4	R418 Q419 L420 Y470 F472 S492	R418-I445 PolarHBondContact O-N 3.15Å; Q419-I445 WeakPolarHBondContact CA-O 3.21Å; Q419-I445 HydrophobicContact CB-CB 4.32Å; Q419-I445 HydrophobicContact CG-CB 4.03Å; Q419-I445 HydrophobicContact CG-CG2 4.06Å; L420-I445 PolarHBondContact N-O 3.09Å; I445-Y470 WeakPolarHBondContact CA-O 3.4Å; I445-F472 HydrophobicContact CG2-CD2 4.38Å; I445-F472 HydrophobicContact CG2-CE2 4.14Å; I445-S492 WeakPolarHBondContact CD1-OG 3.29Å
446	L	94.7	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	109.8	167.1	178.3	59.7	0	0	0	108.1	L420 F433 I436 L443 L448 L462 L469 Y470 V471 F472	L420-L446 HydrophobicContact CB-CD1 4.12Å; L420-L446 HydrophobicContact CD2-CD1 4.01Å; L420-L446 HydrophobicContact CG-CD1 4.15Å; L420-L446 WeakPolarHBondContact O-CA 3.32Å; F433-L446 HydrophobicContact CD1-CD2 4.27Å; F433-L446 HydrophobicContact CE1-CD1 4.25Å; F433-L446 HydrophobicContact CG-CD2 4.3Å; I436-L446 HydrophobicContact CD1-CD2 3.86Å; L443-L446 HydrophobicContact CD2-CB 4.11Å; L446-L448 HydrophobicContact CD1-CD1 4.49Å; L446-L448 HydrophobicContact CD1-CD2 4.01Å; L446-L448 HydrophobicContact CD1-CG 4.19Å; L446-L448 HydrophobicContact CD2-CD1 3.99Å; L446-L448 HydrophobicContact CD2-CG 4.47Å; L446-L448 HydrophobicContact CG-CD1 4.04Å; L446-L448 HydrophobicContact CG-CD2 4.35Å; L446-L448 HydrophobicContact CG-CG 3.97Å; L446-L462 HydrophobicContact CD2-CD2 3.65Å; L446-L469 HydrophobicContact CB-CD1 4.28Å; L446-Y470 PolarHBondContact N-O 2.9Å; L446-V471 HydrophobicContact CB-CG2 4.49Å; L446-V471 HydrophobicContact CD2-CG1 4.37Å; L446-V471 CarbonylContact O-C 3.48Å; L446-V471 WeakPolarHBondContact O-CA 3.29Å; L446-F472 PolarHBondContact O-N 2.93Å
447	N	93.7	Very high	93.8	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.3	179.3	-167.3	-22.9	0	0	0	111.5	L420 L422 I423 T449 F472 F489	L420-N447 PolarHBondContact O-N 3.37Å; L422-N447 PolarHBondContact N-O 3.22Å; I423-N447 HydrophobicContact CG1-CB 4.45Å; N447-T449 VanDerWaalsContact OD1-CB 3.31Å; N447-T449 WeakPolarHBondContact OD1-CB 3.32Å; N447-T449 PolarHBondContact OD1-N 3.16Å; N447-T449 PolarHBondContact OD1-OG1 2.92Å; N447-F472 HydrophobicContact CB-CB 4.46Å; N447-F472 HydrophobicContact CB-CD2 4.14Å; N447-F489 HydrophobicContact CB-CD2 4.48Å; N447-F489 HydrophobicContact CB-CE2 4.22Å; N447-F489 VanDerWaalsContact ND2-CD2 3.3Å; N447-F489 WeakPolarHBondContact ND2-CD2 3.44Å; N447-F489 WeakPolarHBondContact ND2-CE2 3.48Å
448	L	95.6	Very high	93.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.281	C	S	.	.			trans	-119.3	25.2	-179	-55.6	172.8	0	0	0	111.7	L422 F433 L446 Q450 C451 V454 L459 F472	L422-L448 HydrophobicContact CB-CD2 4.13Å; L422-L448 HydrophobicContact CD1-CD2 4.1Å; F433-L448 HydrophobicContact CD2-CD1 3.96Å; F433-L448 HydrophobicContact CE1-CD2 4.45Å; F433-L448 HydrophobicContact CE2-CD1 3.52Å; F433-L448 HydrophobicContact CE2-CD2 3.8Å; F433-L448 HydrophobicContact CE2-CG 4.33Å; F433-L448 HydrophobicContact CZ-CD1 4.1Å; F433-L448 HydrophobicContact CZ-CD2 3.56Å; F433-L448 HydrophobicContact CZ-CG 4.48Å; L446-L448 HydrophobicContact CD1-CD1 4.49Å; L446-L448 HydrophobicContact CD1-CD2 4.01Å; L446-L448 HydrophobicContact CD1-CG 4.19Å; L446-L448 HydrophobicContact CD2-CD1 3.99Å; L446-L448 HydrophobicContact CD2-CG 4.47Å; L446-L448 HydrophobicContact CG-CD1 4.04Å; L446-L448 HydrophobicContact CG-CD2 4.35Å; L446-L448 HydrophobicContact CG-CG 3.97Å; L448-Q450 PolarHBondContact O-N 3.04Å; L448-C451 HydrophobicContact CB-CB 4.13Å; L448-C451 VanDerWaalsContact O-CB 3.28Å; L448-C451 WeakPolarHBondContact O-CB 3.42Å; L448-C451 PolarHBondContact O-N 3.11Å; L448-V454 HydrophobicContact CD1-CG1 4.14Å; L448-V454 HydrophobicContact CD1-CG2 4.48Å; L448-L459 HydrophobicContact CD1-CD1 4.16Å; L448-L459 HydrophobicContact CD1-CD2 3.5Å; L448-L459 VanDerWaalsContact CD1-CD2 3.5Å; L448-L459 HydrophobicContact CD1-CG 4.48Å; L448-F472 WeakPolarHBondContact CB-O 3.24Å; L448-F472 PolarHBondContact N-O 3.45Å
449	T	93.5	Very high	93.5	Very high	22 Å²	22	46.8 Å²	46.8	14%	0.135	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	129.4	174.1	-54.5	0	0	0	0	109.3	I423 G424 N447 C451 D473 G476	I423-T449 CarbonylContact C-O 3.51Å; I423-T449 WeakPolarHBondContact CA-O 3.42Å; I423-T449 HydrophobicContact CG2-CG2 4.46Å; I423-T449 WeakPolarHBondContact CG2-O 3.45Å; G424-T449 PolarHBondContact N-O 3.3Å; N447-T449 VanDerWaalsContact OD1-CB 3.31Å; N447-T449 WeakPolarHBondContact OD1-CB 3.32Å; N447-T449 PolarHBondContact OD1-N 3.16Å; N447-T449 PolarHBondContact OD1-OG1 2.92Å; T449-C451 VanDerWaalsContact C-N 3.27Å; T449-C451 PolarHBondContact O-N 2.88Å; T449-D473 WeakPolarHBondContact CA-O 3.49Å; T449-D473 PolarHBondContact N-O 3.5Å; T449-G476 VanDerWaalsContact OG1-CA 3.31Å; T449-G476 WeakPolarHBondContact OG1-CA 3.49Å
450	Q	94.3	Very high	93.3	Very high	81 Å²	81	48.6 Å²	48.6	38%	0.379	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	25.8	-178.3	-57.6	172	8.1	0	0	115.5	G424 L448 N452 F474	G424-Q450 WeakPolarHBondContact CA-O 3.47Å; L448-Q450 PolarHBondContact O-N 3.04Å; Q450-N452 PolarHBondContact O-OD1 2.8Å; Q450-F474 HydrophobicContact CB-CE2 4.39Å; Q450-F474 PolarHBondContact N-O 3.43Å
451	C	94.8	Very high	93.2	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.027	27%	0.274	C	S	.	.			trans	-94.1	99.3	165.3	-70	0	0	0	0	111.1	L422 N425 L448 T449 H453 V454	L422-C451 PolarHBondContact O-SG 3.03Å; N425-C451 PolarHBondContact O-SG 3.26Å; N425-C451 VanDerWaalsContact O-SG 3.38Å; L448-C451 HydrophobicContact CB-CB 4.13Å; L448-C451 VanDerWaalsContact O-CB 3.28Å; L448-C451 WeakPolarHBondContact O-CB 3.42Å; L448-C451 PolarHBondContact O-N 3.11Å; T449-C451 VanDerWaalsContact C-N 3.27Å; T449-C451 PolarHBondContact O-N 2.88Å; C451-H453 PolarHBondContact O-N 3.27Å; C451-V454 HydrophobicContact CB-CG2 3.93Å
452	N	90.6	Very high	93.2	Very high	94 Å²	94	48.9 Å²	48.9	50%	0.503	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.1	-164.9	-55.7	-1.9	0	0	0	115.5	Q450 F474	Q450-N452 PolarHBondContact O-OD1 2.8Å; N452-F474 WeakPolarHBondContact OD1-CE2 3.42Å
453	H	94.1	Very high	93.1	Very high	111 Å²	111	44.6 Å²	44.6	51%	0.514	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	0.2	-170.7	-65.6	-39.2	0	0	0	113.7	S426 I428 Q429 C451 V455	S426-H453 PolarHBondContact O-CD2 3.44Å; I428-H453 CarbonylContact O-C 3.19Å; I428-H453 WeakPolarHBondContact O-CB 3.25Å; Q429-H453 HydrophobicContact CG-CB 4.37Å; C451-H453 PolarHBondContact O-N 3.27Å; H453-V455 PolarHBondContact O-N 3.39Å
454	V	93.8	Very high	93.1	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.085	27%	0.268	C	S	.	.			trans	-79.5	122	173.7	-173.1	0	0	0	0	108.8	I428 Q429 F433 L448 C451 L459	I428-V454 HydrophobicContact CG2-CG2 4.36Å; I428-V454 WeakPolarHBondContact O-CG2 2.99Å; Q429-V454 WeakPolarHBondContact O-CA 3.47Å; F433-V454 HydrophobicContact CD2-CG1 4.14Å; F433-V454 HydrophobicContact CE2-CG1 4.12Å; F433-V454 HydrophobicContact CE2-CG2 4.01Å; L448-V454 HydrophobicContact CD1-CG1 4.14Å; L448-V454 HydrophobicContact CD1-CG2 4.48Å; C451-V454 HydrophobicContact CB-CG2 3.93Å; V454-L459 HydrophobicContact CG1-CD1 4.11Å; V454-L459 HydrophobicContact CG1-CD2 3.76Å; V454-L459 HydrophobicContact CG1-CG 3.94Å
455	V	89.3	Confident	93.2	Very high	83 Å²	83	52.9 Å²	52.9	50%	0.503	27%	0.27	S	S	.	.			trans	-80.7	132.2	-176.9	-174.4	0	0	0	0	110.2	H453 N457 I458	H453-V455 PolarHBondContact O-N 3.39Å; V455-N457 VanDerWaalsContact C-N 3.25Å; V455-N457 HydrophobicContact CG1-CB 4.35Å; V455-N457 PolarHBondContact O-N 3.15Å; V455-N457 VanDerWaalsContact O-N 3.16Å; V455-I458 HydrophobicContact CB-CD1 4.44Å; V455-I458 WeakPolarHBondContact O-CB 3.45Å; V455-I458 PolarHBondContact O-N 3.41Å
456	D	89.2	Confident	93.3	Very high	94 Å²	94	53.7 Å²	53.7	50%	0.503	27%	0.274	S	S	.	.	H	α-helix	trans	-52.2	-40.8	-177.5	-60.5	-24.2	0	0	0	113.1	I458 L459 E460	D456-I458 PolarHBondContact O-N 3.37Å; D456-I458 VanDerWaalsContact O-N 3.11Å; D456-L459 CarbonylContact O-C 3.37Å; D456-L459 WeakPolarHBondContact O-CA 3.48Å; D456-L459 WeakPolarHBondContact O-CB 3.1Å; D456-L459 PolarHBondContact O-N 3.39Å; D456-E460 WeakPolarHBondContact O-CG 3.34Å; D456-E460 PolarHBondContact O-N 3.37Å
457	N	92.6	Very high	92.9	Very high	116 Å²	116	58 Å²	58	62%	0.62	30%	0.302	S	S	*	.	H	α-helix	trans	-55.4	-33.5	178.8	-66.1	12.6	0	0	0	113.4	V455 D461	V455-N457 VanDerWaalsContact C-N 3.25Å; V455-N457 HydrophobicContact CG1-CB 4.35Å; V455-N457 PolarHBondContact O-N 3.15Å; V455-N457 VanDerWaalsContact O-N 3.16Å; N457-D461 WeakPolarHBondContact O-CB 3.28Å; N457-D461 PolarHBondContact O-N 2.61Å; N457-D461 VanDerWaalsContact O-N 3.09Å
458	I	92.8	Very high	92.5	Very high	40 Å²	40	64.5 Å²	64.5	21%	0.205	34%	0.336	C	S	.	.	H	α-helix	trans	-67.8	-41.3	176.8	-62.6	174.4	0	0	0	109.7	F433 V455 D456 L462	F433-I458 HydrophobicContact CB-CG2 4.06Å; V455-I458 HydrophobicContact CB-CD1 4.44Å; V455-I458 WeakPolarHBondContact O-CB 3.45Å; V455-I458 PolarHBondContact O-N 3.41Å; D456-I458 PolarHBondContact O-N 3.37Å; D456-I458 VanDerWaalsContact O-N 3.11Å; I458-L462 VanDerWaalsContact O-CB 3.24Å; I458-L462 WeakPolarHBondContact O-CB 3.26Å; I458-L462 PolarHBondContact O-N 2.98Å
459	L	94.3	Very high	92.3	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-73.8	-39.2	-178.4	-55.3	-173.2	0	0	0	111.8	F433 L448 V454 D456 L462 S463 V471 D473 V479	F433-L459 HydrophobicContact CD2-CD2 4.39Å; L448-L459 HydrophobicContact CD1-CD1 4.16Å; L448-L459 HydrophobicContact CD1-CD2 3.5Å; L448-L459 VanDerWaalsContact CD1-CD2 3.5Å; L448-L459 HydrophobicContact CD1-CG 4.48Å; V454-L459 HydrophobicContact CG1-CD1 4.11Å; V454-L459 HydrophobicContact CG1-CD2 3.76Å; V454-L459 HydrophobicContact CG1-CG 3.94Å; D456-L459 CarbonylContact O-C 3.37Å; D456-L459 WeakPolarHBondContact O-CA 3.48Å; D456-L459 WeakPolarHBondContact O-CB 3.1Å; D456-L459 PolarHBondContact O-N 3.39Å; L459-L462 PolarHBondContact O-N 3.31Å; L459-S463 WeakPolarHBondContact O-CB 3.09Å; L459-S463 PolarHBondContact O-N 2.85Å; L459-S463 PolarHBondContact O-OG 2.87Å; L459-V471 HydrophobicContact CB-CG1 4.09Å; L459-V471 HydrophobicContact CD1-CG1 4.24Å; L459-V471 HydrophobicContact CD2-CG1 3.94Å; L459-V471 HydrophobicContact CG-CG1 4.31Å; L459-D473 HydrophobicContact CD1-CB 4.5Å; L459-V479 HydrophobicContact CB-CG1 4.32Å; L459-V479 HydrophobicContact CB-CG2 4.08Å; L459-V479 HydrophobicContact CD1-CG2 4.4Å
460	E	93.7	Very high	92.1	Very high	101 Å²	101	65.7 Å²	65.7	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-51.5	174.1	-71	179.3	174.9	0	0	110.9	D456 L462 S463 L464 V479	D456-E460 WeakPolarHBondContact O-CG 3.34Å; D456-E460 PolarHBondContact O-N 3.37Å; E460-L462 VanDerWaalsContact C-N 3.3Å; E460-L462 PolarHBondContact O-N 3.47Å; E460-S463 PolarHBondContact O-N 3.32Å; E460-S463 VanDerWaalsContact O-N 3.17Å; E460-S463 PolarHBondContact O-OG 2.94Å; E460-L464 WeakPolarHBondContact O-CG 3.08Å; E460-L464 PolarHBondContact O-N 3.37Å; E460-V479 HydrophobicContact CG-CG1 4.1Å
461	D	94.6	Very high	92	Very high	72 Å²	72	61.9 Å²	61.9	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-57.9	-43.3	175.7	175.8	71.1	0	0	0	111.8	N457 S463 L464 R465	N457-D461 WeakPolarHBondContact O-CB 3.28Å; N457-D461 PolarHBondContact O-N 2.61Å; N457-D461 VanDerWaalsContact O-N 3.09Å; D461-S463 PolarHBondContact O-N 2.64Å; D461-L464 PolarHBondContact O-N 3.12Å; D461-R465 WeakPolarHBondContact O-CG 3.49Å; D461-R465 PolarHBondContact O-N 3.49Å; D461-R465 IonicContact OD1-NE 2.67Å; D461-R465 IonicContact OD2-CZ 2.77Å; D461-R465 IonicContact OD2-NE 3.56Å; D461-R465 PolarHBondContact OD2-NE 2.97Å; D461-R465 IonicContact OD2-NH2 3.94Å; D461-R465 PolarHBondContact OD2-NH2 3.41Å
462	L	94.9	Very high	91.8	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-44.6	176.5	179.8	60.4	0	0	0	111.8	F433 I436 P437 L446 I458 L459 E460 L464 R465 M466 L469 V471	F433-L462 HydrophobicContact CB-CD2 4.31Å; I436-L462 HydrophobicContact CB-CD1 3.99Å; I436-L462 HydrophobicContact CD1-CD2 3.97Å; I436-L462 HydrophobicContact CG2-CD1 4.13Å; P437-L462 HydrophobicContact CG-CD1 3.69Å; L446-L462 HydrophobicContact CD2-CD2 3.65Å; I458-L462 VanDerWaalsContact O-CB 3.24Å; I458-L462 WeakPolarHBondContact O-CB 3.26Å; I458-L462 PolarHBondContact O-N 2.98Å; L459-L462 PolarHBondContact O-N 3.31Å; E460-L462 VanDerWaalsContact C-N 3.3Å; E460-L462 PolarHBondContact O-N 3.47Å; L462-L464 VanDerWaalsContact C-N 3.31Å; L462-L464 PolarHBondContact O-N 3.18Å; L462-R465 PolarHBondContact O-N 3.05Å; L462-M466 HydrophobicContact CD1-SD 4.16Å; L462-M466 PolarHBondContact O-N 2.96Å; L462-L469 HydrophobicContact CD1-CD2 3.97Å; L462-L469 HydrophobicContact CD2-CD2 3.83Å; L462-L469 HydrophobicContact CG-CD2 3.72Å; L462-V471 HydrophobicContact CD2-CG2 4.2Å; L462-V471 HydrophobicContact CG-CG2 4.42Å
463	S	91.3	Very high	91.8	Very high	19 Å²	19	58.8 Å²	58.8	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-35.5	178.5	76	0	0	0	0	112.5	L459 E460 D461 M466	L459-S463 WeakPolarHBondContact O-CB 3.09Å; L459-S463 PolarHBondContact O-N 2.85Å; L459-S463 PolarHBondContact O-OG 2.87Å; E460-S463 PolarHBondContact O-N 3.32Å; E460-S463 VanDerWaalsContact O-N 3.17Å; E460-S463 PolarHBondContact O-OG 2.94Å; D461-S463 PolarHBondContact O-N 2.64Å; S463-M466 CarbonylContact O-C 3.08Å; S463-M466 VanDerWaalsContact O-C 3.32Å
464	L	93.2	Very high	91.6	Very high	136 Å²	136	57.5 Å²	57.5	71%	0.712	30%	0.297	S	S	*	.	H	α-helix	trans	-69.7	-41.7	175.8	-71.1	172	0	0	0	111.8	E460 D461 L462	E460-L464 WeakPolarHBondContact O-CG 3.08Å; E460-L464 PolarHBondContact O-N 3.37Å; D461-L464 PolarHBondContact O-N 3.12Å; L462-L464 VanDerWaalsContact C-N 3.31Å; L462-L464 PolarHBondContact O-N 3.18Å
465	R	95.2	Very high	91.4	Very high	108 Å²	108	64.2 Å²	64.2	41%	0.408	33%	0.325	S	S	.	.	H	α-helix	trans	-73.2	-27.4	178.5	-71.7	-167.4	-73.4	146.1	-0.3	113	A434 P437 D461 L462	A434-R465 PolarHBondContact O-NH1 3.05Å; A434-R465 PolarHBondContact O-NH2 3.35Å; P437-R465 HydrophobicContact CG-CB 4.16Å; D461-R465 WeakPolarHBondContact O-CG 3.49Å; D461-R465 PolarHBondContact O-N 3.49Å; D461-R465 IonicContact OD1-NE 2.67Å; D461-R465 IonicContact OD2-CZ 2.77Å; D461-R465 IonicContact OD2-NE 3.56Å; D461-R465 PolarHBondContact OD2-NE 2.97Å; D461-R465 IonicContact OD2-NH2 3.94Å; D461-R465 PolarHBondContact OD2-NH2 3.41Å; L462-R465 PolarHBondContact O-N 3.05Å
466	M	93.4	Very high	91.3	Very high	25 Å²	25	61.6 Å²	61.6	12%	0.123	32%	0.315	C	S	.	.			trans	-128.1	79.5	178.7	-64.6	-174.5	73.3	0	0	111.8	I436 P437 P441 L462 S463 N468 L469	I436-M466 HydrophobicContact CG2-SD 3.73Å; P437-M466 HydrophobicContact CB-CG 4.11Å; P437-M466 HydrophobicContact CB-SD 4.04Å; P437-M466 HydrophobicContact CG-CG 3.94Å; P437-M466 HydrophobicContact CG-SD 3.81Å; P441-M466 WeakPolarHBondContact O-CE 3.32Å; L462-M466 HydrophobicContact CD1-SD 4.16Å; L462-M466 PolarHBondContact O-N 2.96Å; S463-M466 CarbonylContact O-C 3.08Å; S463-M466 VanDerWaalsContact O-C 3.32Å; M466-N468 PolarHBondContact O-N 3.49Å; M466-L469 HydrophobicContact CB-CB 3.69Å; M466-L469 HydrophobicContact CB-CD2 4.19Å; M466-L469 VanDerWaalsContact O-CB 3.31Å; M466-L469 WeakPolarHBondContact O-CB 3.36Å; M466-L469 PolarHBondContact O-N 2.96Å; M466-L469 HydrophobicContact SD-CD2 4.07Å
467	P	87.1	Confident	91.1	Very high	91 Å²	91	63.2 Å²	63.2	59%	0.591	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.8	-175	-25.9	34.9	0	0	0	115.7	R478	P467-R478 PolarHBondContact O-NH2 3Å
468	N	85.6	Confident	90.9	Very high	139 Å²	139	60.8 Å²	60.8	74%	0.743	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-5.6	178.2	-64.3	-35.8	0	0	0	113.3	M466	M466-N468 PolarHBondContact O-N 3.49Å
469	L	89.7	Confident	90.7	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	30%	0.298	C	S	.	.			trans	-81.2	127.5	175.5	175.8	63.7	0	0	0	109.2	L443 L446 L462 M466 V471	L443-L469 HydrophobicContact CB-CD1 4.1Å; L443-L469 HydrophobicContact CD2-CD1 3.9Å; L443-L469 HydrophobicContact CG-CD1 3.8Å; L446-L469 HydrophobicContact CB-CD1 4.28Å; L462-L469 HydrophobicContact CD1-CD2 3.97Å; L462-L469 HydrophobicContact CD2-CD2 3.83Å; L462-L469 HydrophobicContact CG-CD2 3.72Å; M466-L469 HydrophobicContact CB-CB 3.69Å; M466-L469 HydrophobicContact CB-CD2 4.19Å; M466-L469 VanDerWaalsContact O-CB 3.31Å; M466-L469 WeakPolarHBondContact O-CB 3.36Å; M466-L469 PolarHBondContact O-N 2.96Å; M466-L469 HydrophobicContact SD-CD2 4.07Å; L469-V471 HydrophobicContact CD2-CG2 3.72Å; L469-V471 HydrophobicContact CG-CG2 3.71Å; L469-V471 PolarHBondContact O-N 2.77Å
470	Y	89.3	Confident	90	Very high	44 Å²	44	63.2 Å²	63.2	17%	0.173	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.8	171.3	-71.5	-96.3	0	0	0	108.8	V444 I445 L446 R478 H488	V444-Y470 PolarHBondContact O-N 3.13Å; I445-Y470 WeakPolarHBondContact CA-O 3.4Å; L446-Y470 PolarHBondContact N-O 2.9Å; Y470-R478 HydrophobicContact CD1-CG 4.26Å; Y470-H488 HydrophobicContact CD1-CB 3.9Å; Y470-H488 HydrophobicContact CE1-CB 3.83Å; Y470-H488 AromaticContact CE1-CD2 3.23Å; Y470-H488 WeakPolarHBondContact CE1-CD2 3.42Å; Y470-H488 AromaticContact CE1-CG 3.63Å; Y470-H488 HydrophobicContact CG-CB 4.38Å; Y470-H488 AromaticContact CZ-CD2 3.52Å; Y470-H488 AromaticContact CZ-CG 3.78Å; Y470-H488 AromaticContact CZ-NE2 3.97Å; Y470-H488 PolarHBondContact OH-CD2 3.16Å; Y470-H488 PolarHBondContact OH-NE2 3.3Å
471	V	91.8	Very high	88.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.3	173.4	-173.2	0	0	0	0	108.3	L446 L459 L462 L469 R478 V479	L446-V471 HydrophobicContact CB-CG2 4.49Å; L446-V471 HydrophobicContact CD2-CG1 4.37Å; L446-V471 CarbonylContact O-C 3.48Å; L446-V471 WeakPolarHBondContact O-CA 3.29Å; L459-V471 HydrophobicContact CB-CG1 4.09Å; L459-V471 HydrophobicContact CD1-CG1 4.24Å; L459-V471 HydrophobicContact CD2-CG1 3.94Å; L459-V471 HydrophobicContact CG-CG1 4.31Å; L462-V471 HydrophobicContact CD2-CG2 4.2Å; L462-V471 HydrophobicContact CG-CG2 4.42Å; L469-V471 HydrophobicContact CD2-CG2 3.72Å; L469-V471 HydrophobicContact CG-CG2 3.71Å; L469-V471 PolarHBondContact O-N 2.77Å; V471-R478 WeakPolarHBondContact O-CA 3.44Å; V471-V479 HydrophobicContact CB-CB 4.22Å; V471-V479 HydrophobicContact CB-CG2 4.24Å; V471-V479 HydrophobicContact CG1-CB 4.48Å; V471-V479 HydrophobicContact CG1-CG2 4.03Å; V471-V479 PolarHBondContact O-N 2.87Å
472	F	90.6	Very high	87.6	Confident	7 Å²	7	58.8 Å²	58.8	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.9	172.2	-61.7	-82.3	0	0	0	109.6	I445 L446 N447 L448 G476 E477 F489	I445-F472 HydrophobicContact CG2-CD2 4.38Å; I445-F472 HydrophobicContact CG2-CE2 4.14Å; L446-F472 PolarHBondContact O-N 2.93Å; N447-F472 HydrophobicContact CB-CB 4.46Å; N447-F472 HydrophobicContact CB-CD2 4.14Å; L448-F472 WeakPolarHBondContact CB-O 3.24Å; L448-F472 PolarHBondContact N-O 3.45Å; F472-G476 WeakPolarHBondContact CD1-O 3.16Å; F472-E477 VanDerWaalsContact CA-O 3.31Å; F472-E477 WeakPolarHBondContact CA-O 3.45Å; F472-F489 HydrophobicContact CE1-CB 4.2Å; F472-F489 HydrophobicContact CE2-CB 3.81Å; F472-F489 HydrophobicContact CE2-CD2 4.32Å; F472-F489 HydrophobicContact CZ-CB 3.6Å
473	D	90.6	Very high	85.9	Confident	26 Å²	26	67.6 Å²	67.6	14%	0.139	38%	0.378	C	S	.	.			trans	-76.6	-170.5	179.9	71.7	8.1	0	0	0	112.6	T449 L459 F475 G476 E477 V479	T449-D473 WeakPolarHBondContact CA-O 3.49Å; T449-D473 PolarHBondContact N-O 3.5Å; L459-D473 HydrophobicContact CD1-CB 4.5Å; D473-F475 PolarHBondContact O-N 3.33Å; D473-F475 WeakPolarHBondContact OD1-CA 3.31Å; D473-F475 PolarHBondContact OD1-N 2.98Å; D473-G476 PolarHBondContact O-N 2.91Å; D473-G476 PolarHBondContact OD1-N 3.37Å; D473-G476 VanDerWaalsContact OD1-N 3.14Å; D473-E477 PolarHBondContact N-O 3.33Å; D473-E477 PolarHBondContact OD1-N 3.46Å; D473-V479 HydrophobicContact CB-CG2 3.85Å
474	F	91.8	Very high	84.2	Confident	84 Å²	84	74 Å²	74	37%	0.368	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-36.6	178.5	171.3	-99.1	0	0	0	113.8	Q450 N452 G476	Q450-F474 HydrophobicContact CB-CE2 4.39Å; Q450-F474 PolarHBondContact N-O 3.43Å; N452-F474 WeakPolarHBondContact OD1-CE2 3.42Å; F474-G476 VanDerWaalsContact C-N 3.29Å
475	F	89.1	Confident	82.7	Confident	156 Å²	156	70 Å²	70	68%	0.684	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.2	-178.3	-60	-73.6	0	0	0	112.9	D473 E477	D473-F475 PolarHBondContact O-N 3.33Å; D473-F475 WeakPolarHBondContact OD1-CA 3.31Å; D473-F475 PolarHBondContact OD1-N 2.98Å; F475-E477 VanDerWaalsContact C-N 3.32Å; F475-E477 HydrophobicContact CB-CG 4.08Å
476	G	86.5	Confident	80.8	Confident	27 Å²	27	69.8 Å²	69.8	28%	0.278	40%	0.396	S	S	.	.	S	Bend	trans	78.8	19	-172.7	0	0	0	0	0	112.6	T449 F472 D473 F474	T449-G476 VanDerWaalsContact OG1-CA 3.31Å; T449-G476 WeakPolarHBondContact OG1-CA 3.49Å; F472-G476 WeakPolarHBondContact CD1-O 3.16Å; D473-G476 PolarHBondContact O-N 2.91Å; D473-G476 PolarHBondContact OD1-N 3.37Å; D473-G476 VanDerWaalsContact OD1-N 3.14Å; F474-G476 VanDerWaalsContact C-N 3.29Å
477	E	85.6	Confident	78.9	Confident	129 Å²	129	71.2 Å²	71.2	60%	0.603	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-92.5	149.7	176.8	-61.2	-172.3	159.4	0	0	110.3	F472 D473 F475 V479	F472-E477 VanDerWaalsContact CA-O 3.31Å; F472-E477 WeakPolarHBondContact CA-O 3.45Å; D473-E477 PolarHBondContact N-O 3.33Å; D473-E477 PolarHBondContact OD1-N 3.46Å; F475-E477 VanDerWaalsContact C-N 3.32Å; F475-E477 HydrophobicContact CB-CG 4.08Å; E477-V479 PolarHBondContact O-N 2.82Å
478	R	87.7	Confident	77.2	Confident	65 Å²	65	68.8 Å²	68.8	25%	0.245	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-75.5	120.8	179.4	-174.2	-170.8	178.7	-161.4	-1	109.9	P467 Y470 V471 G480 G481 D485	P467-R478 PolarHBondContact O-NH2 3Å; Y470-R478 HydrophobicContact CD1-CG 4.26Å; V471-R478 WeakPolarHBondContact O-CA 3.44Å; R478-G480 PolarHBondContact O-N 3.2Å; R478-G481 PolarHBondContact O-N 3.02Å; R478-G481 VanDerWaalsContact O-N 3.14Å; R478-D485 VanDerWaalsContact CD-CG 3.44Å; R478-D485 VanDerWaalsContact CD-OD2 3.31Å; R478-D485 WeakPolarHBondContact CD-OD2 3.3Å; R478-D485 IonicContact CZ-OD1 3.73Å; R478-D485 IonicContact CZ-OD2 3.77Å; R478-D485 IonicContact NE-OD2 3.83Å; R478-D485 IonicContact NH1-OD1 3.09Å; R478-D485 PolarHBondContact NH1-OD1 3.13Å; R478-D485 IonicContact NH1-OD2 3.16Å; R478-D485 PolarHBondContact NH1-OD2 3.02Å
479	V	88.5	Confident	75.4	Confident	20 Å²	20	63.7 Å²	63.7	12%	0.121	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	126.8	173.3	-176.3	0	0	0	0	110.1	L459 E460 V471 D473 E477 G481	L459-V479 HydrophobicContact CB-CG1 4.32Å; L459-V479 HydrophobicContact CB-CG2 4.08Å; L459-V479 HydrophobicContact CD1-CG2 4.4Å; E460-V479 HydrophobicContact CG-CG1 4.1Å; V471-V479 HydrophobicContact CB-CB 4.22Å; V471-V479 HydrophobicContact CB-CG2 4.24Å; V471-V479 HydrophobicContact CG1-CB 4.48Å; V471-V479 HydrophobicContact CG1-CG2 4.03Å; V471-V479 PolarHBondContact O-N 2.87Å; D473-V479 HydrophobicContact CB-CG2 3.85Å; E477-V479 PolarHBondContact O-N 2.82Å; V479-G481 PolarHBondContact O-N 3.47Å
480	G	80.8	Confident	73.4	Confident	75 Å²	75	68.7 Å²	68.7	77%	0.773	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	4.8	-177.4	0	0	0	0	0	115	R478	R478-G480 PolarHBondContact O-N 3.2Å
481	G	70.5	Confident	71.3	Confident	30 Å²	30	69.8 Å²	69.8	31%	0.309	39%	0.394	S	S	.	.			trans	-73.6	153.6	178.8	0	0	0	0	0	113.8	R478 V479 D485	R478-G481 PolarHBondContact O-N 3.02Å; R478-G481 VanDerWaalsContact O-N 3.14Å; V479-G481 PolarHBondContact O-N 3.47Å; G481-D485 WeakPolarHBondContact CA-OD2 3.21Å
482	G	66.3	Low	69.1	Low	49 Å²	49	70.5 Å²	70.5	51%	0.505	40%	0.399	S	S	.	.			trans	-82.7	165.5	171.9	0	0	0	0	0	112.2	N484 D485	G482-N484 PolarHBondContact O-N 2.81Å; G482-D485 PolarHBondContact N-OD2 2.91Å; G482-D485 VanDerWaalsContact N-OD2 3.13Å; G482-D485 WeakPolarHBondContact O-CB 3.36Å; G482-D485 PolarHBondContact O-N 3.21Å
483	L	58.6	Low	67.1	Low	186 Å²	186	76.5 Å²	76.5	97%	0.974	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-19.8	176.4	-78.3	159.7	0	0	0	114.7
484	N	57.4	Low	65	Low	154 Å²	154	78.4 Å²	78.4	82%	0.824	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	9.9	179.3	-63.9	-23.9	0	0	0	113	G482 I486	G482-N484 PolarHBondContact O-N 2.81Å; N484-I486 PolarHBondContact O-N 3.48Å
485	D	60	Low	62.5	Low	52 Å²	52	80.9 Å²	80.9	28%	0.278	46%	0.458	S	S	.	.			trans	-63.5	112.6	172.7	-111.2	-55.5	0	0	0	108.7	R478 G481 G482	R478-D485 VanDerWaalsContact CD-CG 3.44Å; R478-D485 VanDerWaalsContact CD-OD2 3.31Å; R478-D485 WeakPolarHBondContact CD-OD2 3.3Å; R478-D485 IonicContact CZ-OD1 3.73Å; R478-D485 IonicContact CZ-OD2 3.77Å; R478-D485 IonicContact NE-OD2 3.83Å; R478-D485 IonicContact NH1-OD1 3.09Å; R478-D485 PolarHBondContact NH1-OD1 3.13Å; R478-D485 IonicContact NH1-OD2 3.16Å; R478-D485 PolarHBondContact NH1-OD2 3.02Å; G481-D485 WeakPolarHBondContact CA-OD2 3.21Å; G482-D485 PolarHBondContact N-OD2 2.91Å; G482-D485 VanDerWaalsContact N-OD2 3.13Å; G482-D485 WeakPolarHBondContact O-CB 3.36Å; G482-D485 PolarHBondContact O-N 3.21Å
486	I	55.9	Low	60.3	Low	102 Å²	102	74.7 Å²	74.7	52%	0.523	44%	0.438	S	S	.	.			trans	-66	140.2	173.9	-60.5	168.2	0	0	0	106.6	N484 H488 I491	N484-I486 PolarHBondContact O-N 3.48Å; I486-H488 PolarHBondContact O-CD2 3.01Å; I486-H488 PolarHBondContact O-N 2.6Å; I486-I491 HydrophobicContact CG2-CD1 4Å
487	C	54.4	Low	58.6	Low	56 Å²	56	77.2 Å²	77.2	38%	0.378	44%	0.441	S	S	.	.			trans	-58.4	89.8	169.1	-178.1	0	0	0	0	109.6	F489 D490	C487-F489 PolarHBondContact O-N 2.57Å; C487-D490 PolarHBondContact O-N 3.37Å
488	H	50.7	Low	57.2	Low	39 Å²	39	73.7 Å²	73.7	18%	0.181	43%	0.428	C	S	.	.	H	α-helix	trans	-68.6	-11.8	177	-82.7	-85.4	0	0	0	111.6	Y470 I486 I491 S492	Y470-H488 HydrophobicContact CD1-CB 3.9Å; Y470-H488 HydrophobicContact CE1-CB 3.83Å; Y470-H488 AromaticContact CE1-CD2 3.23Å; Y470-H488 WeakPolarHBondContact CE1-CD2 3.42Å; Y470-H488 AromaticContact CE1-CG 3.63Å; Y470-H488 HydrophobicContact CG-CB 4.38Å; Y470-H488 AromaticContact CZ-CD2 3.52Å; Y470-H488 AromaticContact CZ-CG 3.78Å; Y470-H488 AromaticContact CZ-NE2 3.97Å; Y470-H488 PolarHBondContact OH-CD2 3.16Å; Y470-H488 PolarHBondContact OH-NE2 3.3Å; I486-H488 PolarHBondContact O-CD2 3.01Å; I486-H488 PolarHBondContact O-N 2.6Å; H488-I491 CarbonylContact O-C 3.29Å; H488-I491 WeakPolarHBondContact O-CB 3.39Å; H488-I491 PolarHBondContact O-N 3.18Å; H488-S492 PolarHBondContact O-N 3.08Å
489	F	48.1	Very low	56	Low	32 Å²	32	74.2 Å²	74.2	14%	0.14	44%	0.44	C	S	.	.	H	α-helix	trans	-62.8	-46.5	174.1	-176.7	-104.7	0	0	0	111.8	I423 N447 F472 C487 I491 S492 R493	I423-F489 HydrophobicContact CD1-CZ 4.17Å; N447-F489 HydrophobicContact CB-CD2 4.48Å; N447-F489 HydrophobicContact CB-CE2 4.22Å; N447-F489 VanDerWaalsContact ND2-CD2 3.3Å; N447-F489 WeakPolarHBondContact ND2-CD2 3.44Å; N447-F489 WeakPolarHBondContact ND2-CE2 3.48Å; F472-F489 HydrophobicContact CE1-CB 4.2Å; F472-F489 HydrophobicContact CE2-CB 3.81Å; F472-F489 HydrophobicContact CE2-CD2 4.32Å; F472-F489 HydrophobicContact CZ-CB 3.6Å; C487-F489 PolarHBondContact O-N 2.57Å; F489-I491 PolarHBondContact O-N 3.15Å; F489-S492 PolarHBondContact O-N 3.21Å; F489-R493 WeakPolarHBondContact O-CB 3.31Å; F489-R493 PolarHBondContact O-N 2.93Å
490	D	48.2	Very low	54.9	Low	109 Å²	109	74.1 Å²	74.1	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-61.5	-37.9	174.2	-74.4	-30.8	0	0	0	111.2	C487 A494	C487-D490 PolarHBondContact O-N 3.37Å; D490-A494 WeakPolarHBondContact O-CB 3.26Å; D490-A494 PolarHBondContact O-N 2.89Å
491	I	43.6	Very low	54	Low	67 Å²	67	70.9 Å²	70.9	34%	0.344	40%	0.404	S	S	.	.	H	α-helix	trans	-64.1	-45.5	175.6	-62.3	174.4	0	0	0	110.4	I486 H488 F489 A494 L495	I486-I491 HydrophobicContact CG2-CD1 4Å; H488-I491 CarbonylContact O-C 3.29Å; H488-I491 WeakPolarHBondContact O-CB 3.39Å; H488-I491 PolarHBondContact O-N 3.18Å; F489-I491 PolarHBondContact O-N 3.15Å; I491-A494 CarbonylContact O-C 3.47Å; I491-A494 WeakPolarHBondContact O-CA 3.1Å; I491-A494 WeakPolarHBondContact O-CB 3.29Å; I491-A494 PolarHBondContact O-N 2.99Å; I491-L495 HydrophobicContact CG2-CD1 3.65Å; I491-L495 HydrophobicContact CG2-CG 4Å; I491-L495 WeakPolarHBondContact O-CB 3.43Å; I491-L495 WeakPolarHBondContact O-CG 3.43Å; I491-L495 PolarHBondContact O-N 3.31Å
492	S	46.1	Very low	53.6	Low	15 Å²	15	72.2 Å²	72.2	11%	0.105	41%	0.406	C	S	.	.	H	α-helix	trans	-69.5	-40.9	179.5	-169.2	0	0	0	0	113	Q419 I445 H488 F489 A494 L495 G496	Q419-S492 PolarHBondContact OE1-OG 3.23Å; I445-S492 WeakPolarHBondContact CD1-OG 3.29Å; H488-S492 PolarHBondContact O-N 3.08Å; F489-S492 PolarHBondContact O-N 3.21Å; S492-A494 PolarHBondContact O-N 3.49Å; S492-L495 PolarHBondContact O-N 3.22Å; S492-G496 PolarHBondContact O-N 2.57Å
493	R	48.2	Very low	53.1	Low	133 Å²	133	75.1 Å²	75.1	50%	0.502	41%	0.41	S	S	.	.	H	α-helix	trans	-58.1	-31.2	172.4	-165.8	178.2	174	160.5	-0.3	110.8	F489	F489-R493 WeakPolarHBondContact O-CB 3.31Å; F489-R493 PolarHBondContact O-N 2.93Å
494	A	46.7	Very low	52.8	Low	67 Å²	67	69.6 Å²	69.6	55%	0.554	38%	0.382	S	S	*	.	H	α-helix	trans	-79.4	-36.6	170.8	0	0	0	0	0	113.9	D490 I491 S492	D490-A494 WeakPolarHBondContact O-CB 3.26Å; D490-A494 PolarHBondContact O-N 2.89Å; I491-A494 CarbonylContact O-C 3.47Å; I491-A494 WeakPolarHBondContact O-CA 3.1Å; I491-A494 WeakPolarHBondContact O-CB 3.29Å; I491-A494 PolarHBondContact O-N 2.99Å; S492-A494 PolarHBondContact O-N 3.49Å
495	L	38.8	Very low	52.6	Low	136 Å²	136	65.2 Å²	65.2	71%	0.712	36%	0.359	S	S	*	.	H	α-helix	trans	-75	-32.6	-177.2	-73.7	172.1	0	0	0	113.5	I491 S492	I491-L495 HydrophobicContact CG2-CD1 3.65Å; I491-L495 HydrophobicContact CG2-CG 4Å; I491-L495 WeakPolarHBondContact O-CB 3.43Å; I491-L495 WeakPolarHBondContact O-CG 3.43Å; I491-L495 PolarHBondContact O-N 3.31Å; S492-L495 PolarHBondContact O-N 3.22Å
496	G	44.7	Very low	52.2	Low	25 Å²	25	65.9 Å²	65.9	26%	0.258	36%	0.363	S	S	.	.	S	Bend	trans	-78.1	-20.7	179.3	0	0	0	0	0	113.6	S492 V498	S492-G496 PolarHBondContact O-N 2.57Å; G496-V498 PolarHBondContact O-N 2.95Å
497	K	50.2	Low	51.9	Low	80 Å²	80	63.8 Å²	63.8	35%	0.348	35%	0.354	S	S	.	.	S	Bend	trans	-76.3	114.9	172.2	-73.6	-173.1	175	-165.4	0	108.1	P499	K497-P499 VanDerWaalsContact O-CD 3.26Å; K497-P499 WeakPolarHBondContact O-CD 3.27Å
498	V	55.6	Low	51.8	Low	56 Å²	56	64.3 Å²	64.3	34%	0.339	35%	0.353	S	S	.	.			trans	-54.6	115.8	167.5	177.4	0	0	0	0	106.8	G496 I500	G496-V498 PolarHBondContact O-N 2.95Å; V498-I500 PolarHBondContact O-N 3.32Å
499	P	62.9	Low	51.9	Low	76 Å²	76	65.9 Å²	65.9	49%	0.494	36%	0.364	S	S	.	.			trans	-62.6	119.2	-175.1	21.9	-30.3	0	0	0	107.3	R227 K497 C501 T502	R227-P499 PolarHBondContact NH1-O 2.76Å; K497-P499 VanDerWaalsContact O-CD 3.26Å; K497-P499 WeakPolarHBondContact O-CD 3.27Å; P499-C501 CarbonylContact O-C 3.45Å; P499-C501 PolarHBondContact O-N 3.32Å; P499-T502 HydrophobicContact CG-CG2 4.22Å
500	I	65.6	Low	52.1	Low	18 Å²	18	68.4 Å²	68.4	9%	0.092	38%	0.38	C	S	.	.	S	Bend	trans	-50.4	-29.9	-177.2	-65.1	147.5	0	0	0	110.7	A201 N203 R227 N229 W259 V498	A201-I500 HydrophobicContact CB-CG2 3.95Å; A201-I500 WeakPolarHBondContact CB-O 3.37Å; N203-I500 HydrophobicContact CB-CB 4.27Å; N203-I500 HydrophobicContact CB-CD1 3.8Å; N203-I500 HydrophobicContact CB-CG2 3.93Å; N203-I500 VanDerWaalsContact CG-CD1 3.48Å; N203-I500 WeakPolarHBondContact ND2-CD1 3.14Å; R227-I500 HydrophobicContact CB-CG2 4.38Å; R227-I500 PolarHBondContact NE-O 2.57Å; R227-I500 PolarHBondContact NH1-O 2.7Å; R227-I500 PolarHBondContact NH2-O 3.41Å; N229-I500 HydrophobicContact CB-CD1 3.31Å; N229-I500 HydrophobicContact CB-CG1 4.14Å; N229-I500 WeakPolarHBondContact ND2-CD1 3.46Å; W259-I500 HydrophobicContact CE3-CG1 4.33Å; W259-I500 HydrophobicContact CH2-CG1 4.09Å; W259-I500 HydrophobicContact CZ3-CG1 3.85Å; V498-I500 PolarHBondContact O-N 3.32Å
501	C	62.2	Low	52.4	Low	7 Å²	7	65.2 Å²	65.2	5%	0.047	36%	0.364	C	S	.	.	S	Bend	trans	-107.8	109.4	169.9	-52.9	0	0	0	0	110.4	R126 H175 P499	R126-C501 PolarHBondContact NH2-O 2.94Å; H175-C501 HydrophobicContact CB-CB 3.64Å; P499-C501 CarbonylContact O-C 3.45Å; P499-C501 PolarHBondContact O-N 3.32Å
502	T	61.5	Low	53.2	Low	57 Å²	57	65.1 Å²	65.1	35%	0.35	37%	0.366	S	S	.	.			trans	-90.3	162.1	169.7	45.2	0	0	0	0	111	H175 R227 P499	H175-T502 PolarHBondContact CE1-O 3.22Å; H175-T502 VanDerWaalsContact CE1-O 3.31Å; H175-T502 PolarHBondContact CE1-OG1 2.91Å; H175-T502 PolarHBondContact ND1-N 3.31Å; H175-T502 PolarHBondContact ND1-O 3.16Å; R227-T502 PolarHBondContact NH2-OG1 3.4Å; P499-T502 HydrophobicContact CG-CG2 4.22Å
503	D	55.8	Low	53.8	Low	111 Å²	111	69.6 Å²	69.6	59%	0.594	39%	0.39	S	S	*	.			trans	-73.2	0	179.1	-75.4	9	0	0	0	113	R100 R126	R100-D503 IonicContact CZ-OD1 3.02Å; R100-D503 IonicContact CZ-OD2 3.16Å; R100-D503 IonicContact NE-OD2 3.8Å; R100-D503 IonicContact NH1-OD1 2.81Å; R100-D503 PolarHBondContact NH1-OD1 2.73Å; R100-D503 IonicContact NH1-OD2 2.74Å; R100-D503 PolarHBondContact NH1-OD2 3.23Å; R100-D503 IonicContact NH2-OD1 3.47Å; R100-D503 IonicContact NH2-OD2 2.93Å; R126-D503 IonicContact CZ-OD1 3.63Å; R126-D503 IonicContact NH1-OD1 2.77Å; R126-D503 IonicContact NH2-OD1 3.85Å; R126-D503 PolarHBondContact NH2-OD1 3.31Å

Retrieved 503 of 503 residues in 893.1 ms (Link to these results)

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