A0A3Q0KR25_SCHMA Loading...

Macrophage scavenger receptor-related

AlphaFold DB , UniProt , Accession A0A3Q0KR25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 550 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	44	Very low	56.2	Low	217 Å²	217	126.2 Å²	126.2	100%	1.069	64%	0.64	S	S	*	*				0	-39.8	0	-103.4	175.2	163.4	0	0	113.1	D3 N4	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.8Å; M1-N4 PolarHBondContact O-N 3.22Å
2	F	43.4	Very low	56	Low	191 Å²	191	123.2 Å²	123.2	84%	0.838	63%	0.626	S	S	*	*	H	α-helix	trans	-63.8	-27.4	-179.3	-88.7	-88.3	0	0	0	116
3	D	50.7	Low	55.3	Low	117 Å²	117	122.8 Å²	122.8	63%	0.626	63%	0.625	S	S	*	*	H	α-helix	trans	-78	-21.4	-176.2	-145.1	3.1	0	0	0	113.7	M1	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.8Å
4	N	54.4	Low	54.1	Low	113 Å²	113	118.1 Å²	118.1	60%	0.604	61%	0.61	S	S	*	*	H	α-helix	trans	-79.9	-25.8	179.2	-78.8	-9.6	0	0	0	112.8	M1 I8	M1-N4 PolarHBondContact O-N 3.22Å; N4-I8 WeakPolarHBondContact O-CD1 3.48Å; N4-I8 WeakPolarHBondContact O-CG1 3.4Å; N4-I8 PolarHBondContact O-N 3.47Å
5	C	57.3	Low	52.7	Low	90 Å²	90	118.1 Å²	118.1	61%	0.608	61%	0.61	S	S	*	*	H	α-helix	trans	-72.3	-34.9	179.6	-72.1	0	0	0	0	112.7	I8 L9	C5-I8 PolarHBondContact O-N 3.34Å; C5-L9 PolarHBondContact O-N 3.49Å
6	I	64.1	Low	51.7	Low	107 Å²	107	122 Å²	122	55%	0.549	62%	0.621	S	S	.	*	H	α-helix	trans	-71.2	-38.9	-180	-64.1	175	0	0	0	110.7	I8 L9 I10	I6-I8 PolarHBondContact O-N 2.91Å; I6-L9 PolarHBondContact O-N 3.13Å; I6-I10 HydrophobicContact CG2-CD1 3.98Å; I6-I10 WeakPolarHBondContact O-CG1 3.22Å; I6-I10 PolarHBondContact O-N 3.33Å; I6-I10 VanDerWaalsContact O-N 3.13Å
7	K	55.2	Low	50.6	Low	130 Å²	130	121.1 Å²	121.1	57%	0.565	62%	0.623	S	S	*	*	H	α-helix	trans	-64.7	-38.7	175.9	-75.7	-178.2	178.5	175.1	0	112.6	I10 I11	K7-I10 PolarHBondContact O-N 3.49Å; K7-I11 WeakPolarHBondContact O-CB 3.5Å; K7-I11 WeakPolarHBondContact O-CD1 3.34Å; K7-I11 VanDerWaalsContact O-CG1 3.22Å; K7-I11 WeakPolarHBondContact O-CG1 3.25Å; K7-I11 PolarHBondContact O-N 3.3Å
8	I	63.4	Low	49.4	Very low	104 Å²	104	121.5 Å²	121.5	53%	0.533	63%	0.627	S	S	.	*	H	α-helix	trans	-66.3	-38.9	177.4	-67.7	168.1	0	0	0	110.9	N4 C5 I6 I11 L12	N4-I8 WeakPolarHBondContact O-CD1 3.48Å; N4-I8 WeakPolarHBondContact O-CG1 3.4Å; N4-I8 PolarHBondContact O-N 3.47Å; C5-I8 PolarHBondContact O-N 3.34Å; I6-I8 PolarHBondContact O-N 2.91Å; I8-I11 PolarHBondContact O-N 3.42Å; I8-L12 HydrophobicContact CG2-CD1 3.84Å; I8-L12 HydrophobicContact CG2-CG 4.42Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 VanDerWaalsContact O-CG 3.31Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.41Å
9	L	61.2	Low	48.3	Very low	115 Å²	115	126.2 Å²	126.2	60%	0.602	64%	0.642	S	S	*	*	H	α-helix	trans	-66.8	-39.3	178.8	-151.5	84.2	0	0	0	112.4	C5 I6 L12 L13	C5-L9 PolarHBondContact O-N 3.49Å; I6-L9 PolarHBondContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 3Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.47Å
10	I	64.1	Low	47.3	Very low	107 Å²	107	128.7 Å²	128.7	55%	0.549	65%	0.651	S	S	.	*	H	α-helix	trans	-69.7	-39.9	177.1	-65.2	170.1	0	0	0	110.9	I6 K7 L13 S14	I6-I10 HydrophobicContact CG2-CD1 3.98Å; I6-I10 WeakPolarHBondContact O-CG1 3.22Å; I6-I10 PolarHBondContact O-N 3.33Å; I6-I10 VanDerWaalsContact O-N 3.13Å; K7-I10 PolarHBondContact O-N 3.49Å; I10-L13 PolarHBondContact O-N 3.22Å; I10-S14 WeakPolarHBondContact O-CB 3.33Å; I10-S14 PolarHBondContact O-N 3.46Å; I10-S14 PolarHBondContact O-OG 3.5Å
11	I	60	Low	46.2	Very low	97 Å²	97	127.6 Å²	127.6	50%	0.497	66%	0.656	S	S	.	*	H	α-helix	trans	-63.9	-43.8	176.3	-68.2	167	0	0	0	110.3	K7 I8 L13 S14 L15	K7-I11 WeakPolarHBondContact O-CB 3.5Å; K7-I11 WeakPolarHBondContact O-CD1 3.34Å; K7-I11 VanDerWaalsContact O-CG1 3.22Å; K7-I11 WeakPolarHBondContact O-CG1 3.25Å; K7-I11 PolarHBondContact O-N 3.3Å; I8-I11 PolarHBondContact O-N 3.42Å; I11-L13 PolarHBondContact O-N 2.93Å; I11-S14 WeakPolarHBondContact CA-OG 3.4Å; I11-S14 PolarHBondContact O-N 3.34Å; I11-S14 PolarHBondContact O-OG 2.95Å; I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.39Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.42Å
12	L	54.1	Low	45.5	Very low	90 Å²	90	123.5 Å²	123.5	47%	0.471	64%	0.643	S	S	.	*	H	α-helix	trans	-61.7	-42.3	176.3	-74.8	167.2	0	0	0	111.8	I8 L9 S14 L15 F16	I8-L12 HydrophobicContact CG2-CD1 3.84Å; I8-L12 HydrophobicContact CG2-CG 4.42Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 VanDerWaalsContact O-CG 3.31Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 3Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.02Å; L12-F16 VanDerWaalsContact O-CD2 3.25Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å
13	L	47.3	Very low	44.8	Very low	118 Å²	118	121.1 Å²	121.1	62%	0.618	64%	0.638	S	S	*	*	H	α-helix	trans	-66.4	-34.3	176.1	-76.6	162.3	0	0	0	112.9	L9 I10 I11	L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.47Å; I10-L13 PolarHBondContact O-N 3.22Å; I11-L13 PolarHBondContact O-N 2.93Å
14	S	38.3	Very low	43.6	Very low	58 Å²	58	119.7 Å²	119.7	41%	0.406	65%	0.652	S	S	.	*	H	α-helix	trans	-74.9	-28.7	177.5	63.7	0	0	0	0	113.8	I10 I11 L12 F16 T17	I10-S14 WeakPolarHBondContact O-CB 3.33Å; I10-S14 PolarHBondContact O-N 3.46Å; I10-S14 PolarHBondContact O-OG 3.5Å; I11-S14 WeakPolarHBondContact CA-OG 3.4Å; I11-S14 PolarHBondContact O-N 3.34Å; I11-S14 PolarHBondContact O-OG 2.95Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.01Å; S14-F16 VanDerWaalsContact C-N 3.28Å; S14-F16 PolarHBondContact O-N 3.19Å; S14-T17 PolarHBondContact O-N 3.49Å; S14-T17 PolarHBondContact O-OG1 3.48Å
15	L	32.7	Very low	42.3	Very low	117 Å²	117	123.7 Å²	123.7	61%	0.613	66%	0.664	S	S	*	*	H	α-helix	trans	-71.3	-22.1	177.9	-75	165.7	0	0	0	112.8	I11 L12 T17	I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.39Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.02Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.31Å
16	F	37.2	Very low	40.9	Very low	181 Å²	181	124.1 Å²	124.1	79%	0.794	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-4.5	175.1	-80.8	-74.8	0	0	0	114.4	L12 S14	L12-F16 VanDerWaalsContact O-CD2 3.25Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å; S14-F16 VanDerWaalsContact C-N 3.28Å; S14-F16 PolarHBondContact O-N 3.19Å
17	T	33.7	Very low	39.1	Very low	106 Å²	106	125.8 Å²	125.8	65%	0.65	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-0.2	-179.3	53.2	0	0	0	0	115.5	S14 L15	S14-T17 PolarHBondContact O-N 3.49Å; S14-T17 PolarHBondContact O-OG1 3.48Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.31Å
18	N	27.4	Very low	37.9	Very low	129 Å²	129	128 Å²	128	69%	0.69	69%	0.693	S	S	*	*			trans	-115.4	70.5	178.8	-75.2	-22.6	0	0	0	112.1
19	F	29	Very low	36.3	Very low	210 Å²	210	131.5 Å²	131.5	92%	0.921	71%	0.712	S	S	*	*			trans	-136.1	86.3	150.9	-102.5	-84.4	0	0	0	108.2
20	E	27.7	Very low	34.5	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	72%	0.719	S	S	*	*			trans	-65.9	135.2	164.8	-74.6	-177.8	141	0	0	110.4
21	S	25.6	Very low	32.8	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	71%	0.713	S	S	*	*			trans	51.9	95.6	145.8	67.4	0	0	0	0	118.9
22	V	29.2	Very low	31.4	Very low	131 Å²	131	136.9 Å²	136.9	79%	0.794	72%	0.721	S	S	*	*	S	Bend	trans	-134.2	111.2	137.2	-175.5	0	0	0	0	108.3
23	N	27.5	Very low	30.2	Very low	140 Å²	140	138 Å²	138	75%	0.749	73%	0.727	S	S	*	*	S	Bend	trans	58.3	92.3	162.9	-60	-20.9	0	0	0	118.5	F25	N23-F25 VanDerWaalsContact C-N 3.31Å; N23-F25 PolarHBondContact O-N 3.13Å
24	G	26.4	Very low	29.4	Very low	88 Å²	88	137 Å²	137	91%	0.907	72%	0.722	S	S	*	*			trans	71.4	-2.3	133.3	0	0	0	0	0	120
25	F	26.4	Very low	29.2	Very low	197 Å²	197	137.9 Å²	137.9	86%	0.864	73%	0.725	S	S	*	*			trans	-92.8	107.7	175.3	-87.6	-91.4	0	0	0	111.2	N23 T27	N23-F25 VanDerWaalsContact C-N 3.31Å; N23-F25 PolarHBondContact O-N 3.13Å; F25-T27 PolarHBondContact O-N 3.15Å; F25-T27 VanDerWaalsContact O-N 3.15Å
26	S	28.3	Very low	29.3	Very low	99 Å²	99	139.1 Å²	139.1	69%	0.692	72%	0.722	S	S	*	*			trans	-53	114.6	167.3	156.7	0	0	0	0	110.2	K28	S26-K28 PolarHBondContact O-N 2.9Å; S26-K28 VanDerWaalsContact O-N 3.13Å
27	T	27.4	Very low	28.8	Very low	142 Å²	142	131.2 Å²	131.2	87%	0.871	69%	0.692	S	S	*	*			trans	-81.5	34.3	176.1	47.5	0	0	0	0	113.5	F25 L29	F25-T27 PolarHBondContact O-N 3.15Å; F25-T27 VanDerWaalsContact O-N 3.15Å; T27-L29 PolarHBondContact O-N 3.27Å
28	K	28.3	Very low	28.7	Very low	176 Å²	176	132 Å²	132	77%	0.765	68%	0.684	S	S	*	*			trans	-73.8	111	154.7	-90.6	-174.1	175.7	-178.2	0	106.5	S26 R30	S26-K28 PolarHBondContact O-N 2.9Å; S26-K28 VanDerWaalsContact O-N 3.13Å; K28-R30 PolarHBondContact O-N 3.2Å
29	L	29.7	Very low	28.7	Very low	178 Å²	178	131.8 Å²	131.8	93%	0.932	68%	0.683	S	S	*	*			trans	-44	105.8	161.6	-70.3	162.7	0	0	0	107	T27	T27-L29 PolarHBondContact O-N 3.27Å
30	R	25.2	Very low	28.7	Very low	200 Å²	200	125 Å²	125	76%	0.755	67%	0.665	S	S	*	*			trans	-61.3	141	174.7	-85.3	-176.2	173.6	-174.2	-3.6	108	K28 D34 V35	K28-R30 PolarHBondContact O-N 3.2Å; R30-D34 HydrophobicContact CB-CB 4.15Å; R30-V35 HydrophobicContact CB-CG2 4.44Å
31	S	27.8	Very low	29	Very low	60 Å²	60	121.4 Å²	121.4	42%	0.42	65%	0.651	S	S	.	*			trans	-60.1	152.1	179.4	-176	0	0	0	0	109.6	D33 D34	S31-D33 PolarHBondContact O-N 2.9Å; S31-D33 VanDerWaalsContact O-N 3.16Å; S31-D34 PolarHBondContact N-OD2 3.46Å; S31-D34 WeakPolarHBondContact O-CB 3.04Å; S31-D34 PolarHBondContact O-N 3.16Å
32	W	29.7	Very low	29.1	Very low	172 Å²	172	124.3 Å²	124.3	65%	0.652	65%	0.646	S	S	*	*	H	α-helix	trans	-53.9	-33.5	177.1	-139.3	70.5	0	0	0	111.6	D34 V35 Y36	W32-D34 PolarHBondContact O-N 3.17Å; W32-V35 PolarHBondContact O-N 2.87Å; W32-Y36 PolarHBondContact O-N 3.49Å
33	D	29.7	Very low	28.8	Very low	112 Å²	112	124 Å²	124	60%	0.599	64%	0.64	S	S	*	*	H	α-helix	trans	-71	-24.7	176.6	-50.3	-43.5	0	0	0	113.1	S31 V35 G37	S31-D33 PolarHBondContact O-N 2.9Å; S31-D33 VanDerWaalsContact O-N 3.16Å; D33-V35 VanDerWaalsContact C-N 3.34Å; D33-G37 WeakPolarHBondContact O-CA 3.43Å; D33-G37 PolarHBondContact O-N 2.81Å
34	D	30.9	Very low	28.8	Very low	97 Å²	97	122.5 Å²	122.5	52%	0.519	64%	0.64	S	S	.	*	H	α-helix	trans	-79.4	-19.3	179.2	-65.1	-36.8	0	0	0	112.7	R30 S31 W32	R30-D34 HydrophobicContact CB-CB 4.15Å; S31-D34 PolarHBondContact N-OD2 3.46Å; S31-D34 WeakPolarHBondContact O-CB 3.04Å; S31-D34 PolarHBondContact O-N 3.16Å; W32-D34 PolarHBondContact O-N 3.17Å
35	V	33.1	Very low	28.7	Very low	77 Å²	77	124.3 Å²	124.3	47%	0.467	64%	0.636	S	S	.	*	H	α-helix	trans	-99.9	-33.5	-178.9	-174.2	0	0	0	0	111.3	R30 W32 D33	R30-V35 HydrophobicContact CB-CG2 4.44Å; W32-V35 PolarHBondContact O-N 2.87Å; D33-V35 VanDerWaalsContact C-N 3.34Å
36	Y	35.2	Very low	28.5	Very low	143 Å²	143	118.4 Å²	118.4	56%	0.561	63%	0.63	S	S	*	*	H	α-helix	trans	-132.6	1.9	-174.2	-63.1	-72.4	0	0	0	114.4	W32	W32-Y36 PolarHBondContact O-N 3.49Å
37	G	26.7	Very low	28.3	Very low	16 Å²	16	122.4 Å²	122.4	17%	0.165	64%	0.638	C	S	.	*	S	Bend	trans	-65.6	148.4	174.5	0	0	0	0	0	111.3	D33 D39 A40	D33-G37 WeakPolarHBondContact O-CA 3.43Å; D33-G37 PolarHBondContact O-N 2.81Å; G37-D39 PolarHBondContact O-N 3.32Å; G37-A40 PolarHBondContact O-N 3.45Å
38	Y	30.8	Very low	28.1	Very low	121 Å²	121	124.7 Å²	124.7	48%	0.475	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-38.1	-35	-179	-116.1	-101.9	0	0	0	114.6	A40	Y38-A40 PolarHBondContact O-N 3.07Å
39	D	28.9	Very low	27.6	Very low	125 Å²	125	124.7 Å²	124.7	67%	0.668	64%	0.639	S	S	*	*	H	α-helix	trans	-68.9	-27.9	-177.6	-70.7	-43	0	0	0	115.5	G37 N43	G37-D39 PolarHBondContact O-N 3.32Å; D39-N43 PolarHBondContact OD1-ND2 3.08Å; D39-N43 VanDerWaalsContact OD1-ND2 3.07Å
40	A	27.6	Very low	27.2	Very low	67 Å²	67	127.4 Å²	127.4	55%	0.554	64%	0.638	S	S	*	*	H	α-helix	trans	-79.7	-23.9	-169.9	0	0	0	0	0	113.7	G37 Y38	G37-A40 PolarHBondContact O-N 3.45Å; Y38-A40 PolarHBondContact O-N 3.07Å
41	I	34.3	Very low	26.9	Very low	102 Å²	102	123.6 Å²	123.6	52%	0.523	64%	0.637	S	S	.	*	H	α-helix	trans	-102.5	-24	-169.3	-46.7	-178	0	0	0	112.3
42	W	28.7	Very low	26.7	Very low	168 Å²	168	128.2 Å²	128.2	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-142.3	6.8	-163.1	-61.6	106.5	0	0	0	118.9	S44 R135	W42-S44 PolarHBondContact O-N 2.98Å; W42-R135 VanDerWaalsContact CG-CZ 3.49Å; W42-R135 VanDerWaalsContact CG-NH2 3.3Å; W42-R135 VanDerWaalsContact NE1-NH1 3.18Å
43	N	22.9	Very low	26.3	Very low	123 Å²	123	126.3 Å²	126.3	66%	0.658	66%	0.659	S	S	*	*			trans	-76.4	96.7	174.3	-75.3	-28.9	0	0	0	111.6	D39	D39-N43 PolarHBondContact OD1-ND2 3.08Å; D39-N43 VanDerWaalsContact OD1-ND2 3.07Å
44	S	26.6	Very low	25.9	Very low	109 Å²	109	129.1 Å²	129.1	76%	0.762	67%	0.669	S	S	*	*			trans	-108	141.7	154.7	-160.7	0	0	0	0	108.8	W42	W42-S44 PolarHBondContact O-N 2.98Å
45	P	23.7	Very low	25.5	Very low	127 Å²	127	135.5 Å²	135.5	83%	0.825	69%	0.686	S	S	*	*			trans	-89.9	126.9	-150.7	4.9	12.5	0	0	0	114
46	G	23.6	Very low	25	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	70%	0.698	S	S	*	*				89	126.9	129.7	0	0	0	0	0	117.9
47	E	23.9	Very low	24.4	Very low	184 Å²	184	136.1 Å²	136.1	86%	0.86	70%	0.704	S	S	*	*			trans	-159.2	151.9	131.2	-112.1	171.2	-167.4	0	0	111
48	K	22.2	Very low	24.5	Very low	190 Å²	190	142.9 Å²	142.9	83%	0.826	74%	0.737	S	S	*	*			trans	-89.5	145.1	-151.7	-71.4	163.2	172.1	173.6	0	115.1
49	E	18.6	Very low	24.3	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.822	75%	0.747	S	S	*	*			trans	-6.8	129.7	150.3	-70	175.1	154.6	0	0	118.5
50	Y	21.1	Very low	24.4	Very low	234 Å²	234	144.8 Å²	144.8	92%	0.918	76%	0.755	S	S	*	*			trans	-138.5	114.8	143.9	-75.8	-83.3	0	0	0	110.9
51	T	19.6	Very low	24.7	Very low	120 Å²	120	147.9 Å²	147.9	74%	0.736	77%	0.767	S	S	*	*			trans	-69.7	148.4	170.6	50.9	0	0	0	0	112.7
52	L	22.2	Very low	24.6	Very low	158 Å²	158	148 Å²	148	83%	0.827	78%	0.778	S	S	*	*			trans	-175.9	105	137.4	-99.3	159.2	0	0	0	114.4
53	N	21.3	Very low	24.8	Very low	132 Å²	132	149 Å²	149	71%	0.706	79%	0.786	S	S	*	*			trans	39.7	113.2	133.4	-63.5	-10.9	0	0	0	123.2
54	E	21.4	Very low	25	Very low	170 Å²	170	151.3 Å²	151.3	79%	0.794	79%	0.787	S	S	*	*				41.8	124	119.3	-62.7	-175.2	163.6	0	0	120.7
55	R	23.6	Very low	25.1	Very low	232 Å²	232	153.2 Å²	153.2	88%	0.875	79%	0.787	S	S	*	*				-178.1	110.4	119.7	-98.2	167.8	-161.2	-165.5	6.6	114.9
56	T	22.5	Very low	25.5	Very low	119 Å²	119	155.7 Å²	155.7	73%	0.73	79%	0.788	S	S	*	*				42.9	116.9	129.7	53	0	0	0	0	123.8
57	V	23	Very low	26.1	Very low	113 Å²	113	154.3 Å²	154.3	69%	0.685	77%	0.767	S	S	*	*				58.4	119.4	117.9	-174.6	0	0	0	0	119.9
58	N	27.7	Very low	26.4	Very low	159 Å²	159	152 Å²	152	85%	0.85	75%	0.753	S	S	*	*				-170.5	145.4	115.3	-103.6	-39	0	0	0	116.5
59	N	26.4	Very low	26.8	Very low	128 Å²	128	150 Å²	150	68%	0.684	75%	0.752	S	S	*	*			trans	-77.2	145.8	-173	-68.8	-46.4	0	0	0	114.4
60	N	31.3	Very low	27.4	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	75%	0.748	S	S	*	*			trans	-150.6	76.1	156.4	-93.1	-35.3	0	0	0	112.1	S62	N60-S62 PolarHBondContact O-N 2.89Å
61	T	34	Very low	27.9	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	80.3	169.1	22.4	0	0	0	0	110.9
62	S	33.2	Very low	28.3	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154	-2	163.3	47.4	0	0	0	0	115	N60	N60-S62 PolarHBondContact O-N 2.89Å
63	K	32.2	Very low	28.7	Very low	189 Å²	189	144 Å²	144	82%	0.822	72%	0.721	S	S	*	*	S	Bend	trans	-97	-1.3	171	-80.5	-178.4	176.2	173.4	0	115	I65	K63-I65 PolarHBondContact O-N 3.38Å
64	Y	27.2	Very low	29.2	Very low	170 Å²	170	141.8 Å²	141.8	67%	0.667	71%	0.709	S	S	*	*	H	α-helix	trans	-73.6	-17.6	-171.1	-161	-99.7	0	0	0	115.1	S67	Y64-S67 PolarHBondContact O-OG 3.13Å
65	I	27.5	Very low	29.6	Very low	149 Å²	149	141.6 Å²	141.6	76%	0.764	71%	0.706	S	S	*	*	H	α-helix	trans	-89.8	-23.4	-173.7	-60.1	175.6	0	0	0	112.6	K63	K63-I65 PolarHBondContact O-N 3.38Å
66	Q	32.2	Very low	30	Very low	180 Å²	180	135.9 Å²	135.9	84%	0.841	69%	0.693	S	S	*	*	H	α-helix	trans	-83.3	-14.6	177.9	-83.8	-177	-10.4	0	0	114.3
67	S	38.1	Very low	30.8	Very low	43 Å²	43	133.3 Å²	133.3	30%	0.301	67%	0.672	S	S	.	*	H	α-helix	trans	-78.6	-29.3	177.9	56.8	0	0	0	0	113.6	Y64 N69 K70 Q71	Y64-S67 PolarHBondContact O-OG 3.13Å; S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 3.31Å; S67-K70 PolarHBondContact O-N 3.41Å; S67-K70 VanDerWaalsContact O-N 3.08Å; S67-Q71 PolarHBondContact O-N 3.43Å; S67-Q71 VanDerWaalsContact O-N 3.11Å
68	K	29.9	Very low	31.7	Very low	134 Å²	134	128.2 Å²	128.2	58%	0.583	64%	0.642	S	S	*	*	H	α-helix	trans	-61.3	-32.8	-176.1	-85.7	-170.2	173.8	-177.1	0	114.7
69	N	29.2	Very low	32.4	Very low	149 Å²	149	126 Å²	126	80%	0.797	63%	0.625	S	S	*	*	H	α-helix	trans	-83.8	-11.8	178.8	-76.5	-14.4	0	0	0	113.9	S67	S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 3.31Å
70	K	32.9	Very low	34	Very low	169 Å²	169	121 Å²	121	74%	0.735	60%	0.602	S	S	*	*	H	α-helix	trans	-92	-27.4	172.2	-115.6	179.5	177.4	-178.3	0	112.3	S67 T72	S67-K70 PolarHBondContact O-N 3.41Å; S67-K70 VanDerWaalsContact O-N 3.08Å; K70-T72 PolarHBondContact O-N 3.35Å
71	Q	30.7	Very low	35.8	Very low	87 Å²	87	117.8 Å²	117.8	41%	0.407	59%	0.585	S	S	.	*	H	α-helix	trans	-71.2	-22.9	-178.2	-81.9	178.2	-21.1	0	0	115.1	S67 K73 D81	S67-Q71 PolarHBondContact O-N 3.43Å; S67-Q71 VanDerWaalsContact O-N 3.11Å; Q71-K73 PolarHBondContact O-N 2.98Å; Q71-D81 PolarHBondContact NE2-OD2 3.47Å
72	T	28.9	Very low	38.4	Very low	104 Å²	104	116 Å²	116	64%	0.638	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-6.8	179.2	31.7	0	0	0	0	114.5	K70	K70-T72 PolarHBondContact O-N 3.35Å
73	K	29.1	Very low	41.2	Very low	201 Å²	201	111 Å²	111	87%	0.874	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-2.6	179.8	-95.5	-176.1	175.8	-179.9	0	116.1	Q71	Q71-K73 PolarHBondContact O-N 2.98Å
74	L	33	Very low	44	Very low	86 Å²	86	104 Å²	104	45%	0.45	51%	0.506	S	S	.	.			trans	-102.4	20.6	-178.7	-74.3	162.4	0	0	0	113.4	N76	L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 2.88Å; L74-N76 VanDerWaalsContact O-N 3.1Å
75	K	29.1	Very low	47.1	Very low	167 Å²	167	97 Å²	97	73%	0.726	48%	0.48	S	S	*	.			trans	-80.3	24.3	-169.1	-87.9	-167.2	172.3	-168.7	0	117
76	N	31.5	Very low	50	Low	112 Å²	112	91.4 Å²	91.4	60%	0.599	45%	0.451	S	S	*	.	S	Bend	trans	-125.6	140.9	176.4	-69	-15.1	0	0	0	109.3	L74 Q190	L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 2.88Å; L74-N76 VanDerWaalsContact O-N 3.1Å; N76-Q190 HydrophobicContact CB-CG 4.12Å; N76-Q190 PolarHBondContact O-NE2 3.43Å
77	Q	39.6	Very low	52.6	Low	65 Å²	65	86.2 Å²	86.2	30%	0.304	43%	0.429	S	S	.	.	S	Bend	trans	74.9	132.8	-177.1	-75	166.6	0.3	0	0	115.4	F79 L124 Q190 E199	Q77-F79 PolarHBondContact O-N 3.1Å; Q77-L124 CarbonylContact C-O 3.59Å; Q77-Q190 VanDerWaalsContact CD-CG 3.5Å; Q77-Q190 HydrophobicContact CG-CG 3.59Å; Q77-Q190 VanDerWaalsContact OE1-CD 3.3Å; Q77-E199 PolarHBondContact OE1-OE2 2.7Å
78	G	43.2	Very low	54.8	Low	5 Å²	5	85.3 Å²	85.3	5%	0.052	43%	0.427	C	S	.	.	S	Bend		57.5	-12.8	106.2	0	0	0	0	0	118.9	L124	G78-L124 PolarHBondContact N-O 2.75Å; G78-L124 WeakPolarHBondContact O-CD2 3.49Å
79	F	42.4	Very low	57.1	Low	112 Å²	112	81.1 Å²	81.1	49%	0.491	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	101	-175.7	-66.1	-82.5	0	0	0	106.8	Q77 L83 M84	Q77-F79 PolarHBondContact O-N 3.1Å; F79-L83 VanDerWaalsContact CA-O 3.31Å; F79-L83 WeakPolarHBondContact CA-O 3.39Å; F79-M84 HydrophobicContact CD1-CB 3.54Å; F79-M84 HydrophobicContact CE1-CB 3.5Å; F79-M84 HydrophobicContact CE1-CG 4.49Å; F79-M84 HydrophobicContact CE1-SD 4.29Å
80	A	58.1	Low	59.3	Low	24 Å²	24	74.9 Å²	74.9	20%	0.198	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	150.1	153.9	0	0	0	0	0	106.3	N82 L83 M123	A80-N82 PolarHBondContact O-N 3Å; A80-L83 HydrophobicContact CB-CB 3.91Å; A80-L83 PolarHBondContact N-O 3.21Å; A80-L83 VanDerWaalsContact N-O 3.14Å; A80-L83 PolarHBondContact O-N 3.44Å; A80-M123 HydrophobicContact CB-CE 4.26Å
81	D	70.1	Confident	61.5	Low	90 Å²	90	69.9 Å²	69.9	48%	0.481	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-22.1	-179.3	-78.2	-29.4	0	0	0	113.5	Q71	Q71-D81 PolarHBondContact NE2-OD2 3.47Å
82	N	87.6	Confident	64.2	Low	95 Å²	95	66 Å²	66	51%	0.508	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	17.6	179.4	-58.8	-23.8	0	0	0	114.7	A80 V98 N99	A80-N82 PolarHBondContact O-N 3Å; N82-V98 CarbonylContact O-C 3.45Å; N82-V98 WeakPolarHBondContact O-CA 3.41Å; N82-N99 HydrophobicContact CB-CB 4.08Å; N82-N99 PolarHBondContact O-N 2.73Å
83	L	92	Very high	67.2	Low	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	135.5	-176.4	-170.9	155.8	0	0	0	111.3	F79 A80 V96 L97 V98 I120 M123 L124	F79-L83 VanDerWaalsContact CA-O 3.31Å; F79-L83 WeakPolarHBondContact CA-O 3.39Å; A80-L83 HydrophobicContact CB-CB 3.91Å; A80-L83 PolarHBondContact N-O 3.21Å; A80-L83 VanDerWaalsContact N-O 3.14Å; A80-L83 PolarHBondContact O-N 3.44Å; L83-V96 HydrophobicContact CG-CG1 4.42Å; L83-L97 CarbonylContact C-O 3.59Å; L83-L97 WeakPolarHBondContact CA-O 2.91Å; L83-V98 HydrophobicContact CD1-CG1 4.48Å; L83-V98 HydrophobicContact CG-CG1 4.48Å; L83-I120 HydrophobicContact CD1-CD1 3.55Å; L83-I120 HydrophobicContact CD1-CG2 4.24Å; L83-I120 HydrophobicContact CD2-CG2 4.08Å; L83-M123 HydrophobicContact CB-CE 4.4Å; L83-M123 HydrophobicContact CD1-CE 3.7Å; L83-M123 HydrophobicContact CD1-SD 3.89Å; L83-L124 HydrophobicContact CD2-CD1 3.91Å; L83-L124 HydrophobicContact CD2-CD2 3.27Å; L83-L124 HydrophobicContact CD2-CG 3.58Å
84	M	91.2	Very high	70.3	Confident	40 Å²	40	52.2 Å²	52.2	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.3	170.7	66	179.7	80.5	0	0	111.9	F79 I86 L97 W104	F79-M84 HydrophobicContact CD1-CB 3.54Å; F79-M84 HydrophobicContact CE1-CB 3.5Å; F79-M84 HydrophobicContact CE1-CG 4.49Å; F79-M84 HydrophobicContact CE1-SD 4.29Å; M84-I86 HydrophobicContact CG-CG2 4.16Å; M84-I86 HydrophobicContact SD-CG2 4.11Å; M84-L97 HydrophobicContact CG-CB 3.76Å; M84-L97 HydrophobicContact CG-CD2 3.99Å; M84-L97 HydrophobicContact CG-CG 4.44Å; M84-L97 PolarHBondContact N-O 3.38Å; M84-L97 PolarHBondContact O-N 3.45Å; M84-L97 HydrophobicContact SD-CD2 3.94Å; M84-W104 HydrophobicContact CE-CD2 4Å; M84-W104 HydrophobicContact CE-CE3 3.89Å; M84-W104 HydrophobicContact CE-CH2 3.23Å; M84-W104 HydrophobicContact CE-CZ2 3.33Å; M84-W104 HydrophobicContact CE-CZ3 3.51Å; M84-W104 HydrophobicContact CG-CE3 4.49Å; M84-W104 HydrophobicContact CG-CH2 4.47Å; M84-W104 HydrophobicContact CG-CZ3 4.01Å
85	L	92.2	Very high	73.2	Confident	23 Å²	23	48.1 Å²	48.1	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.7	167.3	-56.6	-176.9	0	0	0	109.6	T95 V96 I120 L124 V179	L85-T95 WeakPolarHBondContact CA-O 3.02Å; L85-V96 HydrophobicContact CD2-CG2 3.98Å; L85-I120 HydrophobicContact CD2-CG2 4.31Å; L85-L124 HydrophobicContact CD1-CD1 3.51Å; L85-L124 HydrophobicContact CD2-CD1 3.85Å; L85-L124 HydrophobicContact CG-CD1 3.52Å; L85-V179 HydrophobicContact CD1-CG2 3.75Å; L85-V179 HydrophobicContact CD2-CG2 3.55Å; L85-V179 HydrophobicContact CG-CG2 4.32Å
86	I	89.6	Confident	76.4	Confident	33 Å²	33	40.1 Å²	40.1	17%	0.169	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	164.3	176.6	63.5	169.6	0	0	0	110.5	M84 G88 G94 T95 L97 Y144	M84-I86 HydrophobicContact CG-CG2 4.16Å; M84-I86 HydrophobicContact SD-CG2 4.11Å; I86-G88 PolarHBondContact O-N 2.9Å; I86-G94 CarbonylContact O-C 3.57Å; I86-G94 WeakPolarHBondContact O-CA 3.29Å; I86-T95 HydrophobicContact CG1-CG2 4.29Å; I86-T95 PolarHBondContact N-O 2.04Å; I86-T95 PolarHBondContact O-N 3.44Å; I86-L97 HydrophobicContact CD1-CD1 4.39Å; I86-L97 HydrophobicContact CG2-CD2 4.44Å; I86-Y144 HydrophobicContact CD1-CD2 4.17Å; I86-Y144 HydrophobicContact CD1-CE2 4.17Å
87	D	86.9	Confident	79.4	Confident	70 Å²	70	34.8 Å²	34.8	37%	0.374	19%	0.192	S	C	.	.	S	Bend	trans	64.8	-7.2	173.4	-48.6	-43.3	0	0	0	116.9	F138 S140	D87-F138 HydrophobicContact CB-CB 3.8Å; D87-S140 VanDerWaalsContact OD2-CA 3.28Å; D87-S140 WeakPolarHBondContact OD2-CA 2.92Å; D87-S140 WeakPolarHBondContact OD2-CB 3.46Å; D87-S140 PolarHBondContact OD2-OG 3.04Å
88	G	84.7	Confident	82	Confident	25 Å²	25	32 Å²	32	26%	0.258	18%	0.18	S	C	.	.			trans	-77	153.3	173.3	0	0	0	0	0	113.9	I86 S90 E93	I86-G88 PolarHBondContact O-N 2.9Å; G88-S90 VanDerWaalsContact C-N 3.27Å; G88-S90 PolarHBondContact O-N 2.94Å; G88-E93 WeakPolarHBondContact CA-O 3.19Å
89	A	76.8	Confident	84.3	Confident	46 Å²	46	33.2 Å²	33.2	38%	0.38	19%	0.185	S	C	.	.	S	Bend	trans	-73.6	-20.6	177.9	0	0	0	0	0	112.8	L512	A89-L512 HydrophobicContact CB-CD1 4.35Å; A89-L512 HydrophobicContact CB-CD2 4.18Å
90	S	76.5	Confident	86.5	Confident	18 Å²	18	30.5 Å²	30.5	13%	0.126	17%	0.172	C	C	.	.	S	Bend	trans	-133	167.3	-177.8	66.9	0	0	0	0	112.2	G88 N92 E93	G88-S90 VanDerWaalsContact C-N 3.27Å; G88-S90 PolarHBondContact O-N 2.94Å; S90-N92 WeakPolarHBondContact CB-OD1 3.39Å; S90-N92 PolarHBondContact O-N 3Å; S90-N92 PolarHBondContact OG-OD1 3.14Å; S90-E93 WeakPolarHBondContact CB-OE1 3.24Å; S90-E93 PolarHBondContact N-OE1 3.29Å; S90-E93 PolarHBondContact O-N 3.05Å; S90-E93 VanDerWaalsContact O-O 3.13Å; S90-E93 VanDerWaalsContact OG-CD 3.29Å; S90-E93 WeakPolarHBondContact OG-CG 3.35Å; S90-E93 PolarHBondContact OG-OE1 3.17Å
91	K	78.3	Confident	87.8	Confident	64 Å²	64	38.1 Å²	38.1	28%	0.278	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.5	180	62.7	174.7	-179.5	-174.1	0	114.2	F126 N183	K91-F126 HydrophobicContact CD-CE1 4.5Å; K91-F126 HydrophobicContact CD-CZ 4.32Å; K91-F126 HydrophobicContact CG-CE1 4.42Å; K91-F126 HydrophobicContact CG-CZ 4Å; K91-F126 WeakPolarHBondContact O-CE2 3.24Å; K91-F126 WeakPolarHBondContact O-CZ 3.43Å; K91-N183 WeakPolarHBondContact CE-ND2 3.16Å
92	N	88.2	Confident	88.6	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.027	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	5.7	-173.7	54.7	-77.9	0	0	0	112.3	S90 F126 C181 N183	S90-N92 WeakPolarHBondContact CB-OD1 3.39Å; S90-N92 PolarHBondContact O-N 3Å; S90-N92 PolarHBondContact OG-OD1 3.14Å; N92-F126 HydrophobicContact CB-CD1 4.02Å; N92-F126 HydrophobicContact CB-CD2 4.25Å; N92-F126 HydrophobicContact CB-CE1 3.59Å; N92-F126 HydrophobicContact CB-CE2 3.84Å; N92-F126 HydrophobicContact CB-CG 4.35Å; N92-F126 HydrophobicContact CB-CZ 3.5Å; N92-C181 HydrophobicContact CB-CB 4.09Å; N92-C181 PolarHBondContact ND2-O 3.48Å; N92-C181 WeakPolarHBondContact O-CA 3.5Å; N92-C181 VanDerWaalsContact O-CB 3.28Å; N92-C181 WeakPolarHBondContact O-CB 3.26Å; N92-C181 PolarHBondContact O-N 2.58Å; N92-N183 HydrophobicContact CB-CB 4.03Å; N92-N183 PolarHBondContact OD1-ND2 3.09Å
93	E	90.8	Very high	88.7	Confident	15 Å²	15	37 Å²	37	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.3	175.1	75.8	-159.8	140.6	0	0	111.6	G88 S90 F138 V179 I180	G88-E93 WeakPolarHBondContact CA-O 3.19Å; S90-E93 WeakPolarHBondContact CB-OE1 3.24Å; S90-E93 PolarHBondContact N-OE1 3.29Å; S90-E93 PolarHBondContact O-N 3.05Å; S90-E93 VanDerWaalsContact O-O 3.13Å; S90-E93 VanDerWaalsContact OG-CD 3.29Å; S90-E93 WeakPolarHBondContact OG-CG 3.35Å; S90-E93 PolarHBondContact OG-OE1 3.17Å; E93-F138 HydrophobicContact CB-CE1 4.17Å; E93-F138 HydrophobicContact CB-CZ 4.03Å; E93-F138 HydrophobicContact CG-CE1 3.97Å; E93-F138 HydrophobicContact CG-CZ 4.35Å; E93-V179 WeakPolarHBondContact CA-O 3.28Å; E93-I180 HydrophobicContact CB-CB 4.34Å; E93-I180 HydrophobicContact CB-CG1 4.08Å; E93-I180 HydrophobicContact CB-CG2 4.19Å
94	G	93.9	Very high	88.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.6	176.1	175.8	0	0	0	0	0	113.5	I86 F138 G178 V179	I86-G94 CarbonylContact O-C 3.57Å; I86-G94 WeakPolarHBondContact O-CA 3.29Å; G94-F138 VanDerWaalsContact CA-CE2 3.4Å; G94-F138 VanDerWaalsContact N-CZ 3.29Å; G94-F138 WeakPolarHBondContact O-CE2 3.46Å; G94-G178 CarbonylContact O-C 3.48Å; G94-G178 WeakPolarHBondContact O-CA 3.15Å; G94-V179 PolarHBondContact N-O 3.05Å; G94-V179 PolarHBondContact O-N 2.9Å
95	T	95.4	Very high	88.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.3	170.4	-65.4	0	0	0	0	109.6	L85 I86 L97 T106 E176	L85-T95 WeakPolarHBondContact CA-O 3.02Å; I86-T95 HydrophobicContact CG1-CG2 4.29Å; I86-T95 PolarHBondContact N-O 2.04Å; I86-T95 PolarHBondContact O-N 3.44Å; T95-L97 PolarHBondContact O-N 3.3Å; T95-T106 HydrophobicContact CG2-CG2 4.09Å; T95-E176 HydrophobicContact CG2-CB 3.7Å; T95-E176 HydrophobicContact CG2-CG 4.06Å
96	V	96.3	Very high	89.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.7	-178.6	-176.2	0	0	0	0	109.6	L83 L85 V98 I107 W112 I120 A177 V179	L83-V96 HydrophobicContact CG-CG1 4.42Å; L85-V96 HydrophobicContact CD2-CG2 3.98Å; V96-V98 HydrophobicContact CG1-CG1 4.05Å; V96-I107 HydrophobicContact CB-CD1 4.05Å; V96-I107 HydrophobicContact CG1-CD1 3.54Å; V96-I107 HydrophobicContact CG1-CG1 4.31Å; V96-W112 HydrophobicContact CG2-CZ2 4.13Å; V96-I120 HydrophobicContact CG1-CD1 3.9Å; V96-I120 HydrophobicContact CG1-CG1 4.5Å; V96-I120 HydrophobicContact CG1-CG2 4.41Å; V96-I120 HydrophobicContact CG2-CG1 4.38Å; V96-I120 HydrophobicContact CG2-CG2 4.05Å; V96-A177 PolarHBondContact N-O 3.38Å; V96-V179 HydrophobicContact CG2-CG1 3.92Å; V96-V179 HydrophobicContact CG2-CG2 4.3Å
97	L	94.5	Very high	89.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.4	172.1	-161.2	77.1	0	0	0	109.7	L83 M84 I86 T95 W104 G105 T106 Y144	L83-L97 CarbonylContact C-O 3.59Å; L83-L97 WeakPolarHBondContact CA-O 2.91Å; M84-L97 HydrophobicContact CG-CB 3.76Å; M84-L97 HydrophobicContact CG-CD2 3.99Å; M84-L97 HydrophobicContact CG-CG 4.44Å; M84-L97 PolarHBondContact N-O 3.38Å; M84-L97 PolarHBondContact O-N 3.45Å; M84-L97 HydrophobicContact SD-CD2 3.94Å; I86-L97 HydrophobicContact CD1-CD1 4.39Å; I86-L97 HydrophobicContact CG2-CD2 4.44Å; T95-L97 PolarHBondContact O-N 3.3Å; L97-W104 HydrophobicContact CB-CE3 4.42Å; L97-W104 HydrophobicContact CD2-CB 3.99Å; L97-W104 HydrophobicContact CD2-CD2 4.13Å; L97-W104 HydrophobicContact CD2-CE3 3.77Å; L97-W104 HydrophobicContact CD2-CG 4.27Å; L97-W104 HydrophobicContact CG-CB 4.27Å; L97-W104 HydrophobicContact CG-CE3 3.84Å; L97-G105 VanDerWaalsContact CD1-C 3.45Å; L97-G105 WeakPolarHBondContact CD1-O 3.26Å; L97-T106 HydrophobicContact CD1-CG2 4.07Å; L97-Y144 HydrophobicContact CD1-CD1 4.11Å; L97-Y144 HydrophobicContact CD1-CD2 3.29Å; L97-Y144 HydrophobicContact CD1-CE1 4.48Å; L97-Y144 HydrophobicContact CD1-CE2 3.75Å; L97-Y144 HydrophobicContact CD1-CG 3.54Å; L97-Y144 HydrophobicContact CD2-CD2 4.18Å; L97-Y144 HydrophobicContact CD2-CE1 4.38Å; L97-Y144 HydrophobicContact CD2-CE2 3.73Å; L97-Y144 HydrophobicContact CG-CD2 4.39Å; L97-Y144 HydrophobicContact CG-CE2 4.42Å
98	V	94.4	Very high	89.9	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.9	-179.4	-66.9	0	0	0	0	111.1	N82 L83 V96 W104 G105 I107 L147 M148 L160	N82-V98 CarbonylContact O-C 3.45Å; N82-V98 WeakPolarHBondContact O-CA 3.41Å; L83-V98 HydrophobicContact CD1-CG1 4.48Å; L83-V98 HydrophobicContact CG-CG1 4.48Å; V96-V98 HydrophobicContact CG1-CG1 4.05Å; V98-W104 VanDerWaalsContact C-CE3 3.47Å; V98-W104 WeakPolarHBondContact O-CA 3.22Å; V98-G105 WeakPolarHBondContact CG2-O 3.39Å; V98-G105 PolarHBondContact N-O 2.99Å; V98-G105 PolarHBondContact O-N 3.28Å; V98-I107 HydrophobicContact CG1-CD1 3.85Å; V98-I107 HydrophobicContact CG1-CG1 4.16Å; V98-I107 HydrophobicContact CG2-CG1 4.13Å; V98-L147 HydrophobicContact CG2-CB 4.28Å; V98-L147 HydrophobicContact CG2-CD1 4.43Å; V98-M148 HydrophobicContact CG1-SD 4.48Å; V98-M148 HydrophobicContact CG2-CG 4.36Å; V98-M148 HydrophobicContact CG2-SD 4.02Å; V98-L160 HydrophobicContact CG1-CD2 3.86Å
99	N	91.5	Very high	90.4	Very high	30 Å²	30	31.6 Å²	31.6	16%	0.16	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.7	170	-166.3	-62.4	0	0	0	109.7	N82 G102 K103 W104	N82-N99 HydrophobicContact CB-CB 4.08Å; N82-N99 PolarHBondContact O-N 2.73Å; N99-G102 WeakPolarHBondContact OD1-CA 3.32Å; N99-G102 PolarHBondContact OD1-N 2.93Å; N99-K103 CarbonylContact C-O 3.46Å; N99-K103 WeakPolarHBondContact CA-O 3.5Å; N99-W104 HydrophobicContact CB-CD2 3.83Å; N99-W104 HydrophobicContact CB-CE3 3.77Å; N99-W104 HydrophobicContact CB-CH2 3.81Å; N99-W104 HydrophobicContact CB-CZ2 3.86Å; N99-W104 HydrophobicContact CB-CZ3 3.78Å; N99-W104 PolarHBondContact ND2-NE1 3.37Å; N99-W104 VanDerWaalsContact ND2-NE1 3.14Å
100	R	87.3	Confident	91.4	Very high	55 Å²	55	31.7 Å²	31.7	21%	0.208	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.7	170	-63.9	-171.7	66.3	-114.7	-0.2	109.4	G102 K103 L147 Y165	R100-G102 PolarHBondContact O-N 3.46Å; R100-G102 VanDerWaalsContact O-N 3.14Å; R100-K103 PolarHBondContact N-O 3.44Å; R100-K103 PolarHBondContact O-N 3.22Å; R100-L147 HydrophobicContact CB-CD1 4.34Å; R100-L147 PolarHBondContact NH1-O 3.24Å; R100-Y165 PolarHBondContact NE-OH 2.69Å; R100-Y165 PolarHBondContact NH2-OH 3.4Å
101	H	85.6	Confident	92.1	Very high	183 Å²	183	35.8 Å²	35.8	85%	0.847	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	32	178.9	-51.2	115.1	0	0	0	114.7	K103	H101-K103 VanDerWaalsContact C-N 3.34Å
102	G	86.6	Confident	93	Very high	61 Å²	61	33.2 Å²	33.2	63%	0.629	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-5.1	-179.4	0	0	0	0	0	114.7	N99 R100	N99-G102 WeakPolarHBondContact OD1-CA 3.32Å; N99-G102 PolarHBondContact OD1-N 2.93Å; R100-G102 PolarHBondContact O-N 3.46Å; R100-G102 VanDerWaalsContact O-N 3.14Å
103	K	90.9	Very high	93.2	Very high	102 Å²	102	35.9 Å²	35.9	44%	0.443	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.9	172.2	-174.8	179.4	172.2	-164.9	0	109.1	N99 R100 H101 D145 L147	N99-K103 CarbonylContact C-O 3.46Å; N99-K103 WeakPolarHBondContact CA-O 3.5Å; R100-K103 PolarHBondContact N-O 3.44Å; R100-K103 PolarHBondContact O-N 3.22Å; H101-K103 VanDerWaalsContact C-N 3.34Å; K103-D145 IonicContact NZ-OD2 3.86Å; K103-D145 PolarHBondContact NZ-OD2 3.32Å; K103-L147 HydrophobicContact CD-CD2 3.86Å; K103-L147 HydrophobicContact CG-CD1 4.47Å; K103-L147 HydrophobicContact CG-CD2 4.32Å; K103-L147 WeakPolarHBondContact O-CD1 3.28Å
104	W	92.9	Very high	93.1	Very high	75 Å²	75	37.7 Å²	37.7	28%	0.284	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.1	168.8	-71.7	101.1	0	0	0	109.9	M84 L97 V98 N99 Y144	M84-W104 HydrophobicContact CE-CD2 4Å; M84-W104 HydrophobicContact CE-CE3 3.89Å; M84-W104 HydrophobicContact CE-CH2 3.23Å; M84-W104 HydrophobicContact CE-CZ2 3.33Å; M84-W104 HydrophobicContact CE-CZ3 3.51Å; M84-W104 HydrophobicContact CG-CE3 4.49Å; M84-W104 HydrophobicContact CG-CH2 4.47Å; M84-W104 HydrophobicContact CG-CZ3 4.01Å; L97-W104 HydrophobicContact CB-CE3 4.42Å; L97-W104 HydrophobicContact CD2-CB 3.99Å; L97-W104 HydrophobicContact CD2-CD2 4.13Å; L97-W104 HydrophobicContact CD2-CE3 3.77Å; L97-W104 HydrophobicContact CD2-CG 4.27Å; L97-W104 HydrophobicContact CG-CB 4.27Å; L97-W104 HydrophobicContact CG-CE3 3.84Å; V98-W104 VanDerWaalsContact C-CE3 3.47Å; V98-W104 WeakPolarHBondContact O-CA 3.22Å; N99-W104 HydrophobicContact CB-CD2 3.83Å; N99-W104 HydrophobicContact CB-CE3 3.77Å; N99-W104 HydrophobicContact CB-CH2 3.81Å; N99-W104 HydrophobicContact CB-CZ2 3.86Å; N99-W104 HydrophobicContact CB-CZ3 3.78Å; N99-W104 PolarHBondContact ND2-NE1 3.37Å; N99-W104 VanDerWaalsContact ND2-NE1 3.14Å; W104-Y144 HydrophobicContact CB-CD1 4.43Å; W104-Y144 HydrophobicContact CB-CE1 4.06Å
105	G	94.5	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	172.5	173.9	0	0	0	0	0	113	L97 V98 D145 L147	L97-G105 VanDerWaalsContact CD1-C 3.45Å; L97-G105 WeakPolarHBondContact CD1-O 3.26Å; V98-G105 WeakPolarHBondContact CG2-O 3.39Å; V98-G105 PolarHBondContact N-O 2.99Å; V98-G105 PolarHBondContact O-N 3.28Å; G105-D145 CarbonylContact C-O 3.55Å; G105-D145 WeakPolarHBondContact CA-O 3.36Å; G105-L147 VanDerWaalsContact N-CD1 3.26Å
106	T	95.4	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	172.3	-172.9	48.5	0	0	0	0	111.1	T95 L97 D145 Y146 L147 E176	T95-T106 HydrophobicContact CG2-CG2 4.09Å; L97-T106 HydrophobicContact CD1-CG2 4.07Å; T106-D145 PolarHBondContact N-O 2.87Å; T106-D145 PolarHBondContact OG1-O 3.44Å; T106-Y146 WeakPolarHBondContact O-CA 3.21Å; T106-Y146 WeakPolarHBondContact OG1-CD1 3.44Å; T106-L147 PolarHBondContact O-N 2.84Å; T106-E176 HydrophobicContact CG2-CG 3.73Å
107	I	96.4	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.7	172.2	-55.2	176.7	0	0	0	106.4	V96 V98 W112 M148 V151 L160 A177	V96-I107 HydrophobicContact CB-CD1 4.05Å; V96-I107 HydrophobicContact CG1-CD1 3.54Å; V96-I107 HydrophobicContact CG1-CG1 4.31Å; V98-I107 HydrophobicContact CG1-CD1 3.85Å; V98-I107 HydrophobicContact CG1-CG1 4.16Å; V98-I107 HydrophobicContact CG2-CG1 4.13Å; I107-W112 HydrophobicContact CD1-CH2 4.07Å; I107-W112 HydrophobicContact CD1-CZ3 4.15Å; I107-W112 HydrophobicContact CG2-CE3 4.24Å; I107-W112 HydrophobicContact CG2-CZ3 3.98Å; I107-M148 WeakPolarHBondContact CA-O 3.4Å; I107-M148 HydrophobicContact CG1-CB 4.27Å; I107-M148 HydrophobicContact CG1-SD 4.49Å; I107-M148 HydrophobicContact CG2-CB 4.13Å; I107-V151 HydrophobicContact CG2-CG2 3.63Å; I107-L160 HydrophobicContact CD1-CD2 3.61Å; I107-A177 HydrophobicContact CB-CB 4.05Å; I107-A177 HydrophobicContact CG2-CB 4.15Å; I107-A177 WeakPolarHBondContact O-CB 3.43Å; I107-A177 PolarHBondContact O-N 2.83Å
108	C	96.7	Very high	92.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-73.2	145.8	170.7	-177.3	0	0	0	0	111.6	D110 Y146 M148 D149 C171 E175	C108-D110 VanDerWaalsContact C-N 3.28Å; C108-D110 PolarHBondContact O-N 3.1Å; C108-Y146 HydrophobicContact CB-CD1 4.08Å; C108-Y146 HydrophobicContact CB-CG 4.44Å; C108-M148 PolarHBondContact N-O 3.46Å; C108-D149 HydrophobicContact CB-CB 4.23Å; C108-D149 WeakPolarHBondContact CB-OD1 3.4Å; C108-C171 HydrophobicContact CB-CB 3.77Å; C108-C171 WeakPolarHBondContact CB-SG 3.04Å; C108-C171 WeakPolarHBondContact SG-CB 3.38Å; C108-C171 CovalentContact SG-SG 1.97Å; C108-C171 PolarHBondContact SG-SG 2.81Å; C108-E175 CarbonylContact C-O 3.59Å; C108-E175 WeakPolarHBondContact CA-O 3.47Å
109	D	96.6	Very high	92.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.011	22%	0.215	C	C	.	.			trans	-81.4	0.4	-177.2	70.4	-13.1	0	0	0	115.2	N111 W112 T134 R135 E175 A177	D109-N111 PolarHBondContact O-N 3.34Å; D109-W112 HydrophobicContact CB-CB 4.22Å; D109-W112 WeakPolarHBondContact O-CB 3.5Å; D109-W112 PolarHBondContact O-N 3.03Å; D109-T134 HydrophobicContact CB-CG2 3.91Å; D109-T134 WeakPolarHBondContact OD2-CA 3.37Å; D109-T134 WeakPolarHBondContact OD2-CB 3.4Å; D109-R135 PolarHBondContact OD2-N 3Å; D109-E175 WeakPolarHBondContact CB-O 3.48Å; D109-E175 PolarHBondContact N-O 3.45Å; D109-E175 WeakPolarHBondContact OD1-CB 3.48Å; D109-A177 HydrophobicContact CB-CB 4.18Å
110	D	96.6	Very high	92.8	Very high	48 Å²	48	40.3 Å²	40.3	26%	0.257	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	126.9	173.6	-86.7	-12.9	0	0	0	111.1	C108 W112 D149	C108-D110 VanDerWaalsContact C-N 3.28Å; C108-D110 PolarHBondContact O-N 3.1Å; D110-W112 PolarHBondContact O-N 3.35Å; D110-D149 WeakPolarHBondContact CB-OD1 3.28Å
111	N	92.5	Very high	93	Very high	105 Å²	105	37.7 Å²	37.7	56%	0.561	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	16.2	-171.2	-67.2	-52	0	0	0	115	D109 T113 D150	D109-N111 PolarHBondContact O-N 3.34Å; N111-T113 WeakPolarHBondContact O-CG2 3.24Å; N111-T113 PolarHBondContact O-N 2.87Å; N111-T113 VanDerWaalsContact O-N 3.15Å; N111-D150 PolarHBondContact ND2-OD1 2.87Å
112	W	96.2	Very high	93.3	Very high	9 Å²	9	33.1 Å²	33.1	3%	0.034	17%	0.173	C	C	.	.			trans	-70.7	110.2	179.7	-171.3	-114.8	0	0	0	111.6	V96 I107 D109 D110 E116 I120 T134 V151 A177 G178 V179	V96-W112 HydrophobicContact CG2-CZ2 4.13Å; I107-W112 HydrophobicContact CD1-CH2 4.07Å; I107-W112 HydrophobicContact CD1-CZ3 4.15Å; I107-W112 HydrophobicContact CG2-CE3 4.24Å; I107-W112 HydrophobicContact CG2-CZ3 3.98Å; D109-W112 HydrophobicContact CB-CB 4.22Å; D109-W112 WeakPolarHBondContact O-CB 3.5Å; D109-W112 PolarHBondContact O-N 3.03Å; D110-W112 PolarHBondContact O-N 3.35Å; W112-E116 HydrophobicContact CD2-CB 4.06Å; W112-E116 HydrophobicContact CE3-CB 3.51Å; W112-E116 HydrophobicContact CE3-CG 3.92Å; W112-E116 HydrophobicContact CH2-CB 3.73Å; W112-E116 HydrophobicContact CZ2-CB 4.24Å; W112-E116 HydrophobicContact CZ3-CB 3.34Å; W112-E116 HydrophobicContact CZ3-CG 3.98Å; W112-I120 HydrophobicContact CH2-CD1 4.07Å; W112-I120 HydrophobicContact CH2-CG1 3.64Å; W112-I120 HydrophobicContact CZ2-CG1 4Å; W112-T134 HydrophobicContact CB-CG2 4.45Å; W112-V151 HydrophobicContact CE3-CB 4.39Å; W112-V151 HydrophobicContact CZ3-CB 4.25Å; W112-V151 HydrophobicContact CZ3-CG1 4.4Å; W112-A177 HydrophobicContact CB-CB 4.42Å; W112-A177 HydrophobicContact CD2-CB 3.64Å; W112-A177 HydrophobicContact CE3-CB 4.07Å; W112-A177 HydrophobicContact CG-CB 3.78Å; W112-A177 HydrophobicContact CZ2-CB 4.28Å; W112-G178 PolarHBondContact NE1-O 3.15Å; W112-V179 HydrophobicContact CZ2-CG1 3.81Å
113	T	91.7	Very high	93.5	Very high	61 Å²	61	32.2 Å²	32.2	37%	0.374	15%	0.152	S	C	.	.			trans	-120.2	178.8	-179.3	81.1	0	0	0	0	112.4	N111 K115 E116 A117 A132	N111-T113 WeakPolarHBondContact O-CG2 3.24Å; N111-T113 PolarHBondContact O-N 2.87Å; N111-T113 VanDerWaalsContact O-N 3.15Å; T113-K115 PolarHBondContact O-N 2.94Å; T113-K115 VanDerWaalsContact O-N 3.14Å; T113-K115 PolarHBondContact OG1-N 3.4Å; T113-K115 VanDerWaalsContact OG1-N 3.16Å; T113-E116 WeakPolarHBondContact CA-OE2 3.49Å; T113-E116 WeakPolarHBondContact CB-OE2 3.21Å; T113-E116 PolarHBondContact N-OE2 3.21Å; T113-E116 PolarHBondContact O-N 2.76Å; T113-E116 PolarHBondContact OG1-OE2 2.96Å; T113-A117 PolarHBondContact O-N 3.47Å; T113-A117 VanDerWaalsContact O-N 3.12Å; T113-A132 WeakPolarHBondContact O-CB 3.41Å
114	L	89.6	Confident	93.5	Very high	53 Å²	53	27.5 Å²	27.5	28%	0.277	13%	0.132	S	C	.	.	H	α-helix	trans	-59.4	-20.6	172.9	-76	162.2	0	0	0	113.4	N118 A129 N361	L114-N118 WeakPolarHBondContact O-CB 3.39Å; L114-N118 PolarHBondContact O-N 3.31Å; L114-N118 PolarHBondContact O-ND2 2.88Å; L114-A129 HydrophobicContact CD2-CB 4.24Å; L114-N361 WeakPolarHBondContact CD1-ND2 3.47Å; L114-N361 WeakPolarHBondContact CD1-OD1 3.23Å; L114-N361 VanDerWaalsContact CD2-ND2 3.3Å; L114-N361 WeakPolarHBondContact CD2-ND2 3.36Å
115	K	90.1	Very high	93.2	Very high	69 Å²	69	26.8 Å²	26.8	30%	0.3	15%	0.148	S	C	.	.	H	α-helix	trans	-68.1	-48.2	178	-66.5	178	-171.3	165.4	0	110.7	T113 N118 V119 C153	T113-K115 PolarHBondContact O-N 2.94Å; T113-K115 VanDerWaalsContact O-N 3.14Å; T113-K115 PolarHBondContact OG1-N 3.4Å; T113-K115 VanDerWaalsContact OG1-N 3.16Å; K115-N118 PolarHBondContact O-N 3.42Å; K115-V119 PolarHBondContact O-N 2.98Å; K115-C153 WeakPolarHBondContact CD-O 3.36Å
116	E	94.7	Very high	92.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-48.5	178	-63.3	59.7	-118.1	0	0	109.2	W112 T113 N118 V119 I120 V151 C153	W112-E116 HydrophobicContact CD2-CB 4.06Å; W112-E116 HydrophobicContact CE3-CB 3.51Å; W112-E116 HydrophobicContact CE3-CG 3.92Å; W112-E116 HydrophobicContact CH2-CB 3.73Å; W112-E116 HydrophobicContact CZ2-CB 4.24Å; W112-E116 HydrophobicContact CZ3-CB 3.34Å; W112-E116 HydrophobicContact CZ3-CG 3.98Å; T113-E116 WeakPolarHBondContact CA-OE2 3.49Å; T113-E116 WeakPolarHBondContact CB-OE2 3.21Å; T113-E116 PolarHBondContact N-OE2 3.21Å; T113-E116 PolarHBondContact O-N 2.76Å; T113-E116 PolarHBondContact OG1-OE2 2.96Å; E116-N118 PolarHBondContact O-N 2.99Å; E116-V119 WeakPolarHBondContact O-CA 3.38Å; E116-V119 WeakPolarHBondContact O-CB 3.44Å; E116-V119 PolarHBondContact O-N 2.86Å; E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 2.89Å; E116-V151 HydrophobicContact CG-CB 4.1Å; E116-V151 HydrophobicContact CG-CG1 3.81Å; E116-V151 WeakPolarHBondContact CG-O 3.4Å; E116-C153 HydrophobicContact CG-CB 4.2Å; E116-C153 WeakPolarHBondContact OE1-CA 3.34Å; E116-C153 VanDerWaalsContact OE1-CB 3.28Å; E116-C153 WeakPolarHBondContact OE1-CB 3.39Å; E116-C153 PolarHBondContact OE1-N 2.72Å
117	A	94.6	Very high	92.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-38.3	176.7	0	0	0	0	0	112.6	T113 V119 I120 C121 A129 A132 V179	T113-A117 PolarHBondContact O-N 3.47Å; T113-A117 VanDerWaalsContact O-N 3.12Å; A117-V119 PolarHBondContact O-N 2.92Å; A117-I120 WeakPolarHBondContact O-CB 3.36Å; A117-I120 PolarHBondContact O-N 2.61Å; A117-C121 WeakPolarHBondContact O-CB 3.41Å; A117-C121 PolarHBondContact O-N 3.27Å; A117-C121 PolarHBondContact O-SG 2.85Å; A117-A129 HydrophobicContact CB-CB 3.54Å; A117-A132 HydrophobicContact CB-CB 3.83Å; A117-V179 HydrophobicContact CB-CB 4.38Å; A117-V179 HydrophobicContact CB-CG1 3.58Å
118	N	92	Very high	91.7	Very high	22 Å²	22	30.2 Å²	30.2	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-36.2	175.7	-88.5	-52.3	0	0	0	113.3	L114 K115 E116 R122 H128 A129	L114-N118 WeakPolarHBondContact O-CB 3.39Å; L114-N118 PolarHBondContact O-N 3.31Å; L114-N118 PolarHBondContact O-ND2 2.88Å; K115-N118 PolarHBondContact O-N 3.42Å; E116-N118 PolarHBondContact O-N 2.99Å; N118-R122 VanDerWaalsContact O-CB 3.28Å; N118-R122 WeakPolarHBondContact O-CB 3.39Å; N118-R122 PolarHBondContact O-N 3.41Å; N118-H128 WeakPolarHBondContact OD1-CA 3.33Å; N118-H128 WeakPolarHBondContact OD1-CB 3.43Å; N118-A129 PolarHBondContact OD1-N 2.74Å
119	V	93	Very high	91.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-48.2	173.4	176.2	0	0	0	0	109.4	K115 E116 A117 R122 M123 C153 E157 L160	K115-V119 PolarHBondContact O-N 2.98Å; E116-V119 WeakPolarHBondContact O-CA 3.38Å; E116-V119 WeakPolarHBondContact O-CB 3.44Å; E116-V119 PolarHBondContact O-N 2.86Å; A117-V119 PolarHBondContact O-N 2.92Å; V119-R122 PolarHBondContact O-N 3.41Å; V119-M123 HydrophobicContact CG1-CG 4.42Å; V119-M123 HydrophobicContact CG1-SD 4.06Å; V119-M123 VanDerWaalsContact O-CG 3.3Å; V119-M123 WeakPolarHBondContact O-CG 3.28Å; V119-M123 PolarHBondContact O-N 3.33Å; V119-C153 HydrophobicContact CG2-CB 4.12Å; V119-E157 HydrophobicContact CG1-CB 4.29Å; V119-E157 HydrophobicContact CG2-CB 4.04Å; V119-L160 HydrophobicContact CG1-CD1 4.48Å
120	I	94.9	Very high	91	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.6	-54.5	176.8	-58.1	-62.7	0	0	0	111.2	L83 L85 V96 W112 E116 A117 R122 M123 L124 L160 V179	L83-I120 HydrophobicContact CD1-CD1 3.55Å; L83-I120 HydrophobicContact CD1-CG2 4.24Å; L83-I120 HydrophobicContact CD2-CG2 4.08Å; L85-I120 HydrophobicContact CD2-CG2 4.31Å; V96-I120 HydrophobicContact CG1-CD1 3.9Å; V96-I120 HydrophobicContact CG1-CG1 4.5Å; V96-I120 HydrophobicContact CG1-CG2 4.41Å; V96-I120 HydrophobicContact CG2-CG1 4.38Å; V96-I120 HydrophobicContact CG2-CG2 4.05Å; W112-I120 HydrophobicContact CH2-CD1 4.07Å; W112-I120 HydrophobicContact CH2-CG1 3.64Å; W112-I120 HydrophobicContact CZ2-CG1 4Å; E116-I120 WeakPolarHBondContact O-CG1 3.45Å; E116-I120 PolarHBondContact O-N 2.89Å; A117-I120 WeakPolarHBondContact O-CB 3.36Å; A117-I120 PolarHBondContact O-N 2.61Å; I120-R122 VanDerWaalsContact C-N 3.27Å; I120-R122 PolarHBondContact O-N 2.98Å; I120-M123 WeakPolarHBondContact O-CB 3.27Å; I120-M123 PolarHBondContact O-N 3.41Å; I120-M123 VanDerWaalsContact O-N 3.08Å; I120-L124 HydrophobicContact CG2-CD1 3.87Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.11Å; I120-L124 PolarHBondContact O-N 3.25Å; I120-L160 HydrophobicContact CD1-CB 4.41Å; I120-L160 HydrophobicContact CD1-CD1 3.67Å; I120-L160 HydrophobicContact CD1-CD2 3.71Å; I120-L160 HydrophobicContact CD1-CG 4.13Å; I120-L160 HydrophobicContact CG1-CD1 4.43Å; I120-V179 HydrophobicContact CB-CG1 4Å; I120-V179 HydrophobicContact CG1-CG1 4.27Å; I120-V179 HydrophobicContact CG2-CG1 3.98Å; I120-V179 HydrophobicContact CG2-CG2 3.85Å
121	C	92.8	Very high	90.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-40.3	-178.3	-69.1	0	0	0	0	112	A117 L124 G125 F126 A129 C181	A117-C121 WeakPolarHBondContact O-CB 3.41Å; A117-C121 PolarHBondContact O-N 3.27Å; A117-C121 PolarHBondContact O-SG 2.85Å; C121-L124 CarbonylContact O-C 3.57Å; C121-L124 WeakPolarHBondContact O-CB 3.06Å; C121-L124 PolarHBondContact O-N 3.13Å; C121-G125 PolarHBondContact O-N 3.17Å; C121-F126 CarbonylContact C-O 3.57Å; C121-F126 HydrophobicContact CB-CB 4.19Å; C121-F126 WeakPolarHBondContact O-CA 3.45Å; C121-F126 WeakPolarHBondContact O-CB 3.1Å; C121-F126 PolarHBondContact O-N 3.35Å; C121-F126 VanDerWaalsContact O-O 3.12Å; C121-A129 HydrophobicContact CB-CB 4.46Å; C121-A129 VanDerWaalsContact SG-CA 3.54Å; C121-C181 WeakPolarHBondContact CA-SG 3.47Å; C121-C181 HydrophobicContact CB-CB 3.69Å; C121-C181 WeakPolarHBondContact CB-SG 3.36Å; C121-C181 WeakPolarHBondContact SG-CA 3.47Å; C121-C181 WeakPolarHBondContact SG-CB 3.18Å; C121-C181 CovalentContact SG-SG 2.02Å; C121-C181 PolarHBondContact SG-SG 3.39Å
122	R	90.3	Very high	90.7	Very high	87 Å²	87	26.2 Å²	26.2	33%	0.328	15%	0.149	S	C	.	.	H	α-helix	trans	-66.6	-40.6	175.3	179.2	171.3	54.5	-109.5	7.2	112.5	N118 V119 I120 L124 G125 F126 G155 E157	N118-R122 VanDerWaalsContact O-CB 3.28Å; N118-R122 WeakPolarHBondContact O-CB 3.39Å; N118-R122 PolarHBondContact O-N 3.41Å; V119-R122 PolarHBondContact O-N 3.41Å; I120-R122 VanDerWaalsContact C-N 3.27Å; I120-R122 PolarHBondContact O-N 2.98Å; R122-L124 PolarHBondContact O-N 3.02Å; R122-G125 PolarHBondContact O-N 1.97Å; R122-F126 WeakPolarHBondContact CA-O 3.44Å; R122-G155 PolarHBondContact NH1-O 3.45Å; R122-G155 PolarHBondContact NH2-O 3.08Å; R122-E157 PolarHBondContact NE-O 2.88Å; R122-E157 PolarHBondContact NH2-O 2.76Å
123	M	91.8	Very high	90.6	Very high	41 Å²	41	25.8 Å²	25.8	20%	0.202	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-35.4	174.2	-74	174.6	71	0	0	111.8	A80 L83 V119 I120 G125 S158 Y159 L160	A80-M123 HydrophobicContact CB-CE 4.26Å; L83-M123 HydrophobicContact CB-CE 4.4Å; L83-M123 HydrophobicContact CD1-CE 3.7Å; L83-M123 HydrophobicContact CD1-SD 3.89Å; V119-M123 HydrophobicContact CG1-CG 4.42Å; V119-M123 HydrophobicContact CG1-SD 4.06Å; V119-M123 VanDerWaalsContact O-CG 3.3Å; V119-M123 WeakPolarHBondContact O-CG 3.28Å; V119-M123 PolarHBondContact O-N 3.33Å; I120-M123 WeakPolarHBondContact O-CB 3.27Å; I120-M123 PolarHBondContact O-N 3.41Å; I120-M123 VanDerWaalsContact O-N 3.08Å; M123-G125 PolarHBondContact O-N 3.24Å; M123-S158 WeakPolarHBondContact CG-O 3.41Å; M123-Y159 HydrophobicContact CE-CD1 4.28Å; M123-L160 HydrophobicContact CE-CB 4.39Å; M123-L160 HydrophobicContact SD-CB 3.81Å; M123-L160 PolarHBondContact SD-N 3.22Å
124	L	90.7	Very high	90.7	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.6	176.6	-67.1	176.3	0	0	0	114.1	Q77 G78 L83 L85 I120 C121 R122 F126	Q77-L124 CarbonylContact C-O 3.59Å; G78-L124 PolarHBondContact N-O 2.75Å; G78-L124 WeakPolarHBondContact O-CD2 3.49Å; L83-L124 HydrophobicContact CD2-CD1 3.91Å; L83-L124 HydrophobicContact CD2-CD2 3.27Å; L83-L124 HydrophobicContact CD2-CG 3.58Å; L85-L124 HydrophobicContact CD1-CD1 3.51Å; L85-L124 HydrophobicContact CD2-CD1 3.85Å; L85-L124 HydrophobicContact CG-CD1 3.52Å; I120-L124 HydrophobicContact CG2-CD1 3.87Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.11Å; I120-L124 PolarHBondContact O-N 3.25Å; C121-L124 CarbonylContact O-C 3.57Å; C121-L124 WeakPolarHBondContact O-CB 3.06Å; C121-L124 PolarHBondContact O-N 3.13Å; R122-L124 PolarHBondContact O-N 3.02Å; L124-F126 VanDerWaalsContact C-N 3.34Å; L124-F126 HydrophobicContact CB-CD2 3.54Å; L124-F126 HydrophobicContact CB-CE2 3.72Å; L124-F126 HydrophobicContact CD1-CD2 4.32Å; L124-F126 HydrophobicContact CD1-CE2 4.27Å
125	G	86.1	Confident	90.9	Very high	61 Å²	61	27.2 Å²	27.2	63%	0.629	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	10.7	-178.2	0	0	0	0	0	114.5	C121 R122 M123	C121-G125 PolarHBondContact O-N 3.17Å; R122-G125 PolarHBondContact O-N 1.97Å; M123-G125 PolarHBondContact O-N 3.24Å
126	F	86.2	Confident	90.9	Very high	13 Å²	13	24 Å²	24	6%	0.057	13%	0.132	C	C	.	.			trans	-85.5	148.5	170	-58.2	-65	0	0	0	110.7	K91 N92 C121 R122 L124 H128 C181 N183	K91-F126 HydrophobicContact CD-CE1 4.5Å; K91-F126 HydrophobicContact CD-CZ 4.32Å; K91-F126 HydrophobicContact CG-CE1 4.42Å; K91-F126 HydrophobicContact CG-CZ 4Å; K91-F126 WeakPolarHBondContact O-CE2 3.24Å; K91-F126 WeakPolarHBondContact O-CZ 3.43Å; N92-F126 HydrophobicContact CB-CD1 4.02Å; N92-F126 HydrophobicContact CB-CD2 4.25Å; N92-F126 HydrophobicContact CB-CE1 3.59Å; N92-F126 HydrophobicContact CB-CE2 3.84Å; N92-F126 HydrophobicContact CB-CG 4.35Å; N92-F126 HydrophobicContact CB-CZ 3.5Å; C121-F126 CarbonylContact C-O 3.57Å; C121-F126 HydrophobicContact CB-CB 4.19Å; C121-F126 WeakPolarHBondContact O-CA 3.45Å; C121-F126 WeakPolarHBondContact O-CB 3.1Å; C121-F126 PolarHBondContact O-N 3.35Å; C121-F126 VanDerWaalsContact O-O 3.12Å; R122-F126 WeakPolarHBondContact CA-O 3.44Å; L124-F126 VanDerWaalsContact C-N 3.34Å; L124-F126 HydrophobicContact CB-CD2 3.54Å; L124-F126 HydrophobicContact CB-CE2 3.72Å; L124-F126 HydrophobicContact CD1-CD2 4.32Å; L124-F126 HydrophobicContact CD1-CE2 4.27Å; F126-H128 PolarHBondContact O-N 3.03Å; F126-C181 HydrophobicContact CB-CB 3.64Å; F126-C181 HydrophobicContact CD2-CB 3.62Å; F126-C181 HydrophobicContact CE2-CB 4.47Å; F126-C181 HydrophobicContact CG-CB 3.68Å; F126-N183 HydrophobicContact CE1-CB 4.49Å
127	P	82.1	Confident	90.8	Very high	50 Å²	50	25.3 Å²	25.3	33%	0.325	14%	0.137	S	C	.	.	S	Bend	trans	-59.4	-42.1	-178.4	-27	36	0	0	0	114	L182 P184	P127-L182 VanDerWaalsContact CD-O 3.28Å; P127-L182 WeakPolarHBondContact CD-O 3.31Å; P127-P184 HydrophobicContact CG-CB 3.89Å; P127-P184 HydrophobicContact CG-CG 3.56Å
128	H	86.8	Confident	90.6	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.042	14%	0.138	C	C	.	.			trans	-170	171.5	-178.7	54.2	-83.5	0	0	0	113.2	N118 F126 C181 L182 P365	N118-H128 WeakPolarHBondContact OD1-CA 3.33Å; N118-H128 WeakPolarHBondContact OD1-CB 3.43Å; F126-H128 PolarHBondContact O-N 3.03Å; H128-C181 WeakPolarHBondContact O-CA 3.47Å; H128-L182 WeakPolarHBondContact CE1-CD2 3.27Å; H128-L182 PolarHBondContact O-N 2.77Å; H128-P365 HydrophobicContact CB-CB 4.43Å; H128-P365 HydrophobicContact CB-CG 3.39Å; H128-P365 WeakPolarHBondContact ND1-CG 3.47Å
129	A	90.6	Very high	90.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.7	171.9	0	0	0	0	0	111.6	L114 A117 N118 C121 I180	L114-A129 HydrophobicContact CD2-CB 4.24Å; A117-A129 HydrophobicContact CB-CB 3.54Å; N118-A129 PolarHBondContact OD1-N 2.74Å; C121-A129 HydrophobicContact CB-CB 4.46Å; C121-A129 VanDerWaalsContact SG-CA 3.54Å; A129-I180 CarbonylContact C-O 3.41Å
130	L	88.4	Confident	89.9	Confident	14 Å²	14	29.3 Å²	29.3	7%	0.073	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-32	165.5	-58.9	-176.4	0	0	0	111.3	I180 L182 N361 V423 H441	L130-I180 WeakPolarHBondContact CA-O 3.21Å; L130-I180 HydrophobicContact CB-CG2 4.48Å; L130-I180 WeakPolarHBondContact CB-O 3.2Å; L130-I180 PolarHBondContact N-O 3.22Å; L130-L182 HydrophobicContact CD1-CB 4.32Å; L130-L182 HydrophobicContact CD1-CD1 4.15Å; L130-L182 HydrophobicContact CD2-CB 3.82Å; L130-L182 HydrophobicContact CD2-CD1 4.19Å; L130-L182 HydrophobicContact CD2-CG 4.49Å; L130-L182 HydrophobicContact CG-CB 3.99Å; L130-N361 PolarHBondContact O-ND2 2.76Å; L130-V423 HydrophobicContact CD1-CG2 3.42Å; L130-V423 VanDerWaalsContact CD1-CG2 3.42Å; L130-H441 WeakPolarHBondContact CD2-CE1 3.48Å; L130-H441 WeakPolarHBondContact CD2-NE2 3.23Å
131	Q	90	Very high	89.1	Confident	38 Å²	38	36.6 Å²	36.6	18%	0.178	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	142	179.1	-175	173.2	-12.8	0	0	111.8	T133 V179 I180	Q131-T133 HydrophobicContact CG-CG2 3.95Å; Q131-V179 WeakPolarHBondContact O-CA 3.39Å; Q131-I180 HydrophobicContact CB-CB 4.16Å; Q131-I180 HydrophobicContact CB-CD1 4.39Å; Q131-I180 HydrophobicContact CB-CG1 4.33Å; Q131-I180 PolarHBondContact N-O 2.65Å; Q131-I180 PolarHBondContact O-N 3.3Å
132	A	93.1	Very high	88.3	Confident	19 Å²	19	38.2 Å²	38.2	16%	0.157	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.2	158.5	0	0	0	0	0	107.5	T113 A117	T113-A132 WeakPolarHBondContact O-CB 3.41Å; A117-A132 HydrophobicContact CB-CB 3.83Å
133	T	93.9	Very high	87.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.9	-178	62.7	0	0	0	0	110.2	Q131 Y137 F138 G178 I180	Q131-T133 HydrophobicContact CG-CG2 3.95Å; T133-Y137 HydrophobicContact CG2-CD1 3.85Å; T133-Y137 HydrophobicContact CG2-CD2 4.37Å; T133-Y137 HydrophobicContact CG2-CE1 4.31Å; T133-Y137 HydrophobicContact CG2-CG 3.89Å; T133-F138 HydrophobicContact CG2-CE2 4.01Å; T133-F138 HydrophobicContact CG2-CZ 4.23Å; T133-F138 WeakPolarHBondContact OG1-CE2 3.35Å; T133-G178 PolarHBondContact N-O 3.49Å; T133-G178 PolarHBondContact O-N 3.45Å; T133-G178 WeakPolarHBondContact OG1-CA 3.15Å; T133-G178 PolarHBondContact OG1-N 2.9Å; T133-G178 PolarHBondContact OG1-O 2.79Å; T133-I180 HydrophobicContact CG2-CD1 3.92Å; T133-I180 HydrophobicContact CG2-CG1 3.85Å
134	T	94.1	Very high	87.9	Confident	39 Å²	39	46.5 Å²	46.5	24%	0.239	24%	0.244	C	C	.	.			trans	-131.8	169	-173.5	63.5	0	0	0	0	109.1	D109 W112 D136 Y137	D109-T134 HydrophobicContact CB-CG2 3.91Å; D109-T134 WeakPolarHBondContact OD2-CA 3.37Å; D109-T134 WeakPolarHBondContact OD2-CB 3.4Å; W112-T134 HydrophobicContact CB-CG2 4.45Å; T134-D136 PolarHBondContact O-N 2.92Å; T134-Y137 PolarHBondContact O-N 3.43Å
135	R	92.1	Very high	88	Confident	104 Å²	104	49.8 Å²	49.8	39%	0.392	26%	0.262	S	S	.	.	S	Bend	trans	54.2	46.8	177.6	-57.8	-172.9	-173.2	130.8	5.5	114.3	W42 D109 Y137 R174	W42-R135 VanDerWaalsContact CG-CZ 3.49Å; W42-R135 VanDerWaalsContact CG-NH2 3.3Å; W42-R135 VanDerWaalsContact NE1-NH1 3.18Å; D109-R135 PolarHBondContact OD2-N 3Å; R135-Y137 VanDerWaalsContact C-N 3.25Å; R135-Y137 PolarHBondContact O-N 3.15Å; R135-R174 CarbonylContact C-O 3.54Å; R135-R174 WeakPolarHBondContact CA-O 3.04Å
136	D	91.7	Very high	88.3	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.011	24%	0.235	C	C	.	.	S	Bend	trans	53.5	46.3	177.7	-170.7	24.7	0	0	0	112.2	T134 F138 F139 S140 R174 E176	T134-D136 PolarHBondContact O-N 2.92Å; D136-F138 PolarHBondContact O-N 2.6Å; D136-F139 PolarHBondContact O-N 3.32Å; D136-F139 PolarHBondContact OD1-N 3.16Å; D136-F139 WeakPolarHBondContact OD2-CA 3.22Å; D136-S140 WeakPolarHBondContact OD1-CB 3.44Å; D136-S140 PolarHBondContact OD1-N 3.14Å; D136-S140 PolarHBondContact OD2-N 3.12Å; D136-R174 HydrophobicContact CB-CB 3.78Å; D136-R174 WeakPolarHBondContact CB-O 3.44Å; D136-R174 PolarHBondContact N-O 3.45Å; D136-R174 IonicContact OD2-CZ 2.67Å; D136-R174 VanDerWaalsContact OD2-CZ 3.25Å; D136-R174 IonicContact OD2-NE 3.76Å; D136-R174 PolarHBondContact OD2-NE 3.3Å; D136-R174 VanDerWaalsContact OD2-NE 3.14Å; D136-R174 IonicContact OD2-NH2 3.12Å; D136-R174 PolarHBondContact OD2-NH2 2.99Å; D136-E176 WeakPolarHBondContact CB-OE2 3.32Å; D136-E176 PolarHBondContact N-O 3.29Å
137	Y	91.6	Very high	88.7	Confident	29 Å²	29	47.9 Å²	47.9	11%	0.114	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-34.1	-176	178.5	-88.5	0	0	0	113.3	T133 T134 R135 F139 I180 R408 V410 K422	T133-Y137 HydrophobicContact CG2-CD1 3.85Å; T133-Y137 HydrophobicContact CG2-CD2 4.37Å; T133-Y137 HydrophobicContact CG2-CE1 4.31Å; T133-Y137 HydrophobicContact CG2-CG 3.89Å; T134-Y137 PolarHBondContact O-N 3.43Å; R135-Y137 VanDerWaalsContact C-N 3.25Å; R135-Y137 PolarHBondContact O-N 3.15Å; Y137-F139 VanDerWaalsContact C-N 3.34Å; Y137-I180 HydrophobicContact CE1-CD1 4.2Å; Y137-R408 HydrophobicContact CE1-CB 4.43Å; Y137-R408 HydrophobicContact CE1-CG 4.31Å; Y137-R408 HydrophobicContact CE2-CB 4.15Å; Y137-R408 HydrophobicContact CE2-CG 4.38Å; Y137-R408 WeakPolarHBondContact CE2-O 3.17Å; Y137-R408 PolarHBondContact O-NE 3.14Å; Y137-R408 PolarHBondContact OH-O 3Å; Y137-R408 VanDerWaalsContact OH-O 3.05Å; Y137-V410 HydrophobicContact CE2-CG2 4.12Å; Y137-K422 WeakPolarHBondContact OH-CE 3.49Å
138	F	89.7	Confident	89.4	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.018	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.5	-179.7	-62.9	-77.7	0	0	0	113.8	D87 E93 G94 T133 D136 I180 R408	D87-F138 HydrophobicContact CB-CB 3.8Å; E93-F138 HydrophobicContact CB-CE1 4.17Å; E93-F138 HydrophobicContact CB-CZ 4.03Å; E93-F138 HydrophobicContact CG-CE1 3.97Å; E93-F138 HydrophobicContact CG-CZ 4.35Å; G94-F138 VanDerWaalsContact CA-CE2 3.4Å; G94-F138 VanDerWaalsContact N-CZ 3.29Å; G94-F138 WeakPolarHBondContact O-CE2 3.46Å; T133-F138 HydrophobicContact CG2-CE2 4.01Å; T133-F138 HydrophobicContact CG2-CZ 4.23Å; T133-F138 WeakPolarHBondContact OG1-CE2 3.35Å; D136-F138 PolarHBondContact O-N 2.6Å; F138-I180 HydrophobicContact CZ-CD1 4.29Å; F138-I180 HydrophobicContact CZ-CG1 3.94Å; F138-R408 PolarHBondContact O-NH2 3.31Å
139	F	87.8	Confident	89.8	Confident	91 Å²	91	45.3 Å²	45.3	40%	0.399	22%	0.22	S	C	.	.			trans	55.2	56	-176.9	-52.1	-70.7	0	0	0	112	D136 Y137 N141 E407 R408	D136-F139 PolarHBondContact O-N 3.32Å; D136-F139 PolarHBondContact OD1-N 3.16Å; D136-F139 WeakPolarHBondContact OD2-CA 3.22Å; Y137-F139 VanDerWaalsContact C-N 3.34Å; F139-N141 PolarHBondContact O-N 3.12Å; F139-E407 HydrophobicContact CZ-CB 4.15Å; F139-R408 HydrophobicContact CE2-CG 3.81Å; F139-R408 HydrophobicContact CZ-CG 4.45Å
140	S	83.5	Confident	90.1	Very high	12 Å²	12	48.1 Å²	48.1	8%	0.084	24%	0.235	C	C	.	.			trans	-57.1	125.6	177.4	-161.4	0	0	0	0	110.1	D87 D136 S142	D87-S140 VanDerWaalsContact OD2-CA 3.28Å; D87-S140 WeakPolarHBondContact OD2-CA 2.92Å; D87-S140 WeakPolarHBondContact OD2-CB 3.46Å; D87-S140 PolarHBondContact OD2-OG 3.04Å; D136-S140 WeakPolarHBondContact OD1-CB 3.44Å; D136-S140 PolarHBondContact OD1-N 3.14Å; D136-S140 PolarHBondContact OD2-N 3.12Å; S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 WeakPolarHBondContact OG-CB 3.21Å; S140-S142 PolarHBondContact OG-N 2.66Å; S140-S142 PolarHBondContact OG-OG 3.02Å
141	N	77.5	Confident	90.5	Very high	153 Å²	153	47.5 Å²	47.5	82%	0.818	23%	0.231	S	C	*	.			trans	-94.4	13.9	171.3	-71	-30.5	0	0	0	111.5	F139	F139-N141 PolarHBondContact O-N 3.12Å
142	S	76.1	Confident	90.8	Very high	33 Å²	33	52.4 Å²	52.4	23%	0.231	25%	0.249	C	C	.	.			trans	-81.9	145.5	-176.7	71.3	0	0	0	0	111.8	S140 Y144	S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 WeakPolarHBondContact OG-CB 3.21Å; S140-S142 PolarHBondContact OG-N 2.66Å; S140-S142 PolarHBondContact OG-OG 3.02Å; S142-Y144 PolarHBondContact O-N 2.91Å; S142-Y144 VanDerWaalsContact OG-CD2 3.23Å; S142-Y144 WeakPolarHBondContact OG-CD2 3.49Å
143	E	82.9	Confident	90.8	Very high	201 Å²	201	51.5 Å²	51.5	94%	0.939	24%	0.242	S	C	*	.			trans	-90.6	26.8	172.2	-60.8	-174.3	164.1	0	0	111.4
144	Y	90.4	Very high	90.4	Very high	101 Å²	101	58.7 Å²	58.7	40%	0.396	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-71.1	136.8	179.4	-72.8	-55.1	0	0	0	110.5	I86 L97 W104 S142	I86-Y144 HydrophobicContact CD1-CD2 4.17Å; I86-Y144 HydrophobicContact CD1-CE2 4.17Å; L97-Y144 HydrophobicContact CD1-CD1 4.11Å; L97-Y144 HydrophobicContact CD1-CD2 3.29Å; L97-Y144 HydrophobicContact CD1-CE1 4.48Å; L97-Y144 HydrophobicContact CD1-CE2 3.75Å; L97-Y144 HydrophobicContact CD1-CG 3.54Å; L97-Y144 HydrophobicContact CD2-CD2 4.18Å; L97-Y144 HydrophobicContact CD2-CE1 4.38Å; L97-Y144 HydrophobicContact CD2-CE2 3.73Å; L97-Y144 HydrophobicContact CG-CD2 4.39Å; L97-Y144 HydrophobicContact CG-CE2 4.42Å; W104-Y144 HydrophobicContact CB-CD1 4.43Å; W104-Y144 HydrophobicContact CB-CE1 4.06Å; S142-Y144 PolarHBondContact O-N 2.91Å; S142-Y144 VanDerWaalsContact OG-CD2 3.23Å; S142-Y144 WeakPolarHBondContact OG-CD2 3.49Å
145	D	92.4	Very high	90	Very high	73 Å²	73	57.1 Å²	57.1	39%	0.39	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-82.2	152.2	176.6	-170.8	25.6	0	0	0	110.6	K103 G105 T106 L147 H169	K103-D145 IonicContact NZ-OD2 3.86Å; K103-D145 PolarHBondContact NZ-OD2 3.32Å; G105-D145 CarbonylContact C-O 3.55Å; G105-D145 WeakPolarHBondContact CA-O 3.36Å; T106-D145 PolarHBondContact N-O 2.87Å; T106-D145 PolarHBondContact OG1-O 3.44Å; D145-L147 PolarHBondContact O-N 3.45Å; D145-H169 IonicContact OD1-NE2 2.72Å
146	Y	94.4	Very high	89.6	Confident	19 Å²	19	56.2 Å²	56.2	8%	0.075	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.3	176	-58.6	-73.9	0	0	0	109.6	T106 C108 H169 C171 L172 R174 E175 E176	T106-Y146 WeakPolarHBondContact O-CA 3.21Å; T106-Y146 WeakPolarHBondContact OG1-CD1 3.44Å; C108-Y146 HydrophobicContact CB-CD1 4.08Å; C108-Y146 HydrophobicContact CB-CG 4.44Å; Y146-H169 AromaticContact CD2-CE1 3.59Å; Y146-H169 AromaticContact CD2-ND1 3.59Å; Y146-C171 HydrophobicContact CD2-CB 4.28Å; Y146-C171 HydrophobicContact CE2-CB 4.15Å; Y146-L172 WeakPolarHBondContact CE2-O 3.44Å; Y146-L172 PolarHBondContact OH-O 2.81Å; Y146-R174 PolarHBondContact OH-N 2.97Å; Y146-E175 PolarHBondContact OH-N 3.06Å; Y146-E176 HydrophobicContact CE1-CG 4.08Å; Y146-E176 VanDerWaalsContact OH-CD 3.26Å; Y146-E176 PolarHBondContact OH-OE1 2.56Å
147	L	94.3	Very high	89.5	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-11.6	-179.7	-64.9	-176.4	0	0	0	113.8	V98 R100 K103 G105 T106 D145	V98-L147 HydrophobicContact CG2-CB 4.28Å; V98-L147 HydrophobicContact CG2-CD1 4.43Å; R100-L147 HydrophobicContact CB-CD1 4.34Å; R100-L147 PolarHBondContact NH1-O 3.24Å; K103-L147 HydrophobicContact CD-CD2 3.86Å; K103-L147 HydrophobicContact CG-CD1 4.47Å; K103-L147 HydrophobicContact CG-CD2 4.32Å; K103-L147 WeakPolarHBondContact O-CD1 3.28Å; G105-L147 VanDerWaalsContact N-CD1 3.26Å; T106-L147 PolarHBondContact O-N 2.84Å; D145-L147 PolarHBondContact O-N 3.45Å
148	M	95.6	Very high	89.4	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	136.6	-176.8	-59.4	-178.1	71.3	0	0	108.3	V98 I107 C108 V151 L160 Y165 W166	V98-M148 HydrophobicContact CG1-SD 4.48Å; V98-M148 HydrophobicContact CG2-CG 4.36Å; V98-M148 HydrophobicContact CG2-SD 4.02Å; I107-M148 WeakPolarHBondContact CA-O 3.4Å; I107-M148 HydrophobicContact CG1-CB 4.27Å; I107-M148 HydrophobicContact CG1-SD 4.49Å; I107-M148 HydrophobicContact CG2-CB 4.13Å; C108-M148 PolarHBondContact N-O 3.46Å; M148-V151 HydrophobicContact CB-CG2 3.97Å; M148-V151 HydrophobicContact CE-CG2 4.18Å; M148-L160 HydrophobicContact CE-CD2 3.86Å; M148-L160 HydrophobicContact CE-CG 3.97Å; M148-L160 HydrophobicContact SD-CD2 3.65Å; M148-L160 HydrophobicContact SD-CG 4.4Å; M148-Y165 HydrophobicContact CB-CD2 4.24Å; M148-Y165 HydrophobicContact CE-CD1 3.45Å; M148-Y165 VanDerWaalsContact CE-CD1 3.45Å; M148-Y165 HydrophobicContact CE-CD2 3.59Å; M148-Y165 HydrophobicContact CE-CE1 3.81Å; M148-Y165 HydrophobicContact CE-CE2 3.91Å; M148-Y165 HydrophobicContact CE-CG 3.35Å; M148-Y165 HydrophobicContact CG-CD2 3.94Å; M148-Y165 HydrophobicContact CG-CE2 4.14Å; M148-W166 WeakPolarHBondContact CA-O 3.45Å
149	D	96.7	Very high	89.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163.8	174.8	-160.6	-4.3	0	0	0	109.2	C108 D110 V151 W166 E168 H169 D170 C171	C108-D149 HydrophobicContact CB-CB 4.23Å; C108-D149 WeakPolarHBondContact CB-OD1 3.4Å; D110-D149 WeakPolarHBondContact CB-OD1 3.28Å; D149-V151 PolarHBondContact O-N 3.34Å; D149-V151 VanDerWaalsContact O-N 3.14Å; D149-W166 HydrophobicContact CB-CB 4.32Å; D149-W166 PolarHBondContact N-O 2.75Å; D149-W166 PolarHBondContact O-N 2.92Å; D149-E168 WeakPolarHBondContact CB-O 3.19Å; D149-H169 HydrophobicContact CB-CB 3.71Å; D149-H169 WeakPolarHBondContact OD2-CA 3.46Å; D149-H169 WeakPolarHBondContact OD2-CB 3.35Å; D149-D170 PolarHBondContact OD2-N 2.89Å; D149-C171 VanDerWaalsContact CG-SG 3.56Å; D149-C171 PolarHBondContact OD2-SG 3.45Å
150	D	96.3	Very high	89.7	Confident	59 Å²	59	60.4 Å²	60.4	32%	0.316	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.6	43.6	179.1	-86.3	-43.4	0	0	0	112.8	N111 Y152 W166	N111-D150 PolarHBondContact ND2-OD1 2.87Å; D150-Y152 PolarHBondContact O-N 2.9Å; D150-Y152 VanDerWaalsContact O-N 3.13Å; D150-W166 HydrophobicContact CB-CB 4.48Å
151	V	96.8	Very high	90.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	117.1	-175.8	-173	0	0	0	0	109.3	I107 W112 E116 M148 D149 L160 C163	I107-V151 HydrophobicContact CG2-CG2 3.63Å; W112-V151 HydrophobicContact CE3-CB 4.39Å; W112-V151 HydrophobicContact CZ3-CB 4.25Å; W112-V151 HydrophobicContact CZ3-CG1 4.4Å; E116-V151 HydrophobicContact CG-CB 4.1Å; E116-V151 HydrophobicContact CG-CG1 3.81Å; E116-V151 WeakPolarHBondContact CG-O 3.4Å; M148-V151 HydrophobicContact CB-CG2 3.97Å; M148-V151 HydrophobicContact CE-CG2 4.18Å; D149-V151 PolarHBondContact O-N 3.34Å; D149-V151 VanDerWaalsContact O-N 3.14Å; V151-L160 HydrophobicContact CG1-CD1 3.98Å; V151-C163 HydrophobicContact CG1-CB 4.2Å
152	Y	95.3	Very high	90.8	Very high	141 Å²	141	63 Å²	63	55%	0.553	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.1	-179	-174.5	-89.1	0	0	0	111.3	D150 C163 V164	D150-Y152 PolarHBondContact O-N 2.9Å; D150-Y152 VanDerWaalsContact O-N 3.13Å; Y152-C163 WeakPolarHBondContact O-CB 3.05Å; Y152-V164 PolarHBondContact N-O 3.17Å; Y152-V164 PolarHBondContact O-N 3.36Å
153	C	93.1	Very high	91.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.3	C	S	.	.			trans	-108.1	151.8	175.7	-59.6	0	0	0	0	111.5	K115 E116 V119 G155 C163	K115-C153 WeakPolarHBondContact CD-O 3.36Å; E116-C153 HydrophobicContact CG-CB 4.2Å; E116-C153 WeakPolarHBondContact OE1-CA 3.34Å; E116-C153 VanDerWaalsContact OE1-CB 3.28Å; E116-C153 WeakPolarHBondContact OE1-CB 3.39Å; E116-C153 PolarHBondContact OE1-N 2.72Å; V119-C153 HydrophobicContact CG2-CB 4.12Å; C153-G155 VanDerWaalsContact C-N 3.27Å; C153-C163 HydrophobicContact CB-CB 4.06Å; C153-C163 WeakPolarHBondContact CB-SG 3.38Å; C153-C163 WeakPolarHBondContact SG-CB 3.37Å; C153-C163 CovalentContact SG-SG 2.03Å; C153-C163 PolarHBondContact SG-SG 2.84Å
154	K	87.2	Confident	92.3	Very high	152 Å²	152	57.3 Å²	57.3	66%	0.661	29%	0.286	S	S	*	.			trans	-75.1	-23.2	164.8	-60.9	172.8	-176	169.4	0	111.3	E157	K154-E157 VanDerWaalsContact CB-OE1 3.22Å; K154-E157 WeakPolarHBondContact CB-OE1 3.47Å; K154-E157 WeakPolarHBondContact CG-OE1 3.17Å; K154-E157 VanDerWaalsContact N-CD 3.35Å; K154-E157 PolarHBondContact N-OE1 3.31Å; K154-E157 PolarHBondContact N-OE2 2.88Å
155	G	83.8	Confident	92.5	Very high	6 Å²	6	55.4 Å²	55.4	6%	0.062	28%	0.279	C	S	.	.	S	Bend	trans	97.8	-8.5	-177.6	0	0	0	0	0	114	R122 C153 E157	R122-G155 PolarHBondContact NH1-O 3.45Å; R122-G155 PolarHBondContact NH2-O 3.08Å; C153-G155 VanDerWaalsContact C-N 3.27Å; G155-E157 WeakPolarHBondContact CA-OE2 3.34Å; G155-E157 PolarHBondContact N-OE2 3.39Å
156	S	84.3	Confident	92.6	Very high	84 Å²	84	56.8 Å²	56.8	59%	0.587	28%	0.279	S	S	*	.			trans	-98.3	-5.7	-179.1	58.9	0	0	0	0	114.3
157	E	89.9	Confident	92.5	Very high	17 Å²	17	59.7 Å²	59.7	8%	0.079	30%	0.299	C	S	.	.			trans	-62.3	140.6	-176.1	-68.9	81.1	-177	0	0	112.1	V119 R122 K154 G155 Y159 E162	V119-E157 HydrophobicContact CG1-CB 4.29Å; V119-E157 HydrophobicContact CG2-CB 4.04Å; R122-E157 PolarHBondContact NE-O 2.88Å; R122-E157 PolarHBondContact NH2-O 2.76Å; K154-E157 VanDerWaalsContact CB-OE1 3.22Å; K154-E157 WeakPolarHBondContact CB-OE1 3.47Å; K154-E157 WeakPolarHBondContact CG-OE1 3.17Å; K154-E157 VanDerWaalsContact N-CD 3.35Å; K154-E157 PolarHBondContact N-OE1 3.31Å; K154-E157 PolarHBondContact N-OE2 2.88Å; G155-E157 WeakPolarHBondContact CA-OE2 3.34Å; G155-E157 PolarHBondContact N-OE2 3.39Å; E157-Y159 VanDerWaalsContact C-N 3.33Å; E157-E162 WeakPolarHBondContact CA-OE2 3.36Å; E157-E162 HydrophobicContact CB-CB 3.99Å; E157-E162 HydrophobicContact CG-CB 3.76Å
158	S	89	Confident	92.4	Very high	66 Å²	66	64.8 Å²	64.8	46%	0.462	32%	0.322	S	S	.	.	S	Bend	trans	-79.9	-23.7	176.6	-65.1	0	0	0	0	112.4	M123 E162	M123-S158 WeakPolarHBondContact CG-O 3.41Å; S158-E162 PolarHBondContact N-OE2 1.99Å
159	Y	91.4	Very high	92.2	Very high	123 Å²	123	67.6 Å²	67.6	48%	0.482	34%	0.335	S	S	.	.	S	Bend	trans	-140.4	148.5	-175.3	-56.9	-82.7	0	0	0	110.2	M123 E157 D161 E162	M123-Y159 HydrophobicContact CE-CD1 4.28Å; E157-Y159 VanDerWaalsContact C-N 3.33Å; Y159-D161 WeakPolarHBondContact CB-OD1 3.3Å; Y159-D161 PolarHBondContact O-N 2.51Å; Y159-E162 WeakPolarHBondContact CD2-OE1 3.18Å; Y159-E162 WeakPolarHBondContact O-CB 3.4Å; Y159-E162 PolarHBondContact O-N 2.77Å; Y159-E162 VanDerWaalsContact O-N 3.16Å
160	L	92.3	Very high	92.1	Very high	8 Å²	8	72.6 Å²	72.6	4%	0.042	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-64.7	-27.6	-177.9	-168.6	70.3	0	0	0	112.9	V98 I107 V119 I120 M123 M148 V151 E162 C163	V98-L160 HydrophobicContact CG1-CD2 3.86Å; I107-L160 HydrophobicContact CD1-CD2 3.61Å; V119-L160 HydrophobicContact CG1-CD1 4.48Å; I120-L160 HydrophobicContact CD1-CB 4.41Å; I120-L160 HydrophobicContact CD1-CD1 3.67Å; I120-L160 HydrophobicContact CD1-CD2 3.71Å; I120-L160 HydrophobicContact CD1-CG 4.13Å; I120-L160 HydrophobicContact CG1-CD1 4.43Å; M123-L160 HydrophobicContact CE-CB 4.39Å; M123-L160 HydrophobicContact SD-CB 3.81Å; M123-L160 PolarHBondContact SD-N 3.22Å; M148-L160 HydrophobicContact CE-CD2 3.86Å; M148-L160 HydrophobicContact CE-CG 3.97Å; M148-L160 HydrophobicContact SD-CD2 3.65Å; M148-L160 HydrophobicContact SD-CG 4.4Å; V151-L160 HydrophobicContact CG1-CD1 3.98Å; L160-E162 PolarHBondContact O-N 2.95Å; L160-C163 VanDerWaalsContact O-CB 3.29Å; L160-C163 WeakPolarHBondContact O-CB 3.3Å; L160-C163 PolarHBondContact O-N 2.83Å; L160-C163 VanDerWaalsContact O-N 3.12Å
161	D	91.5	Very high	92	Very high	115 Å²	115	70.4 Å²	70.4	62%	0.615	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-73.1	-10.2	177.5	62.6	-18.2	0	0	0	113.9	Y159 C163	Y159-D161 WeakPolarHBondContact CB-OD1 3.3Å; Y159-D161 PolarHBondContact O-N 2.51Å; D161-C163 VanDerWaalsContact C-N 3.3Å
162	E	92.6	Very high	91.6	Very high	105 Å²	105	75.9 Å²	75.9	49%	0.491	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-79.3	-15.1	169.1	-61.3	175.9	177.5	0	0	112.4	E157 S158 Y159 L160	E157-E162 WeakPolarHBondContact CA-OE2 3.36Å; E157-E162 HydrophobicContact CB-CB 3.99Å; E157-E162 HydrophobicContact CG-CB 3.76Å; S158-E162 PolarHBondContact N-OE2 1.99Å; Y159-E162 WeakPolarHBondContact CD2-OE1 3.18Å; Y159-E162 WeakPolarHBondContact O-CB 3.4Å; Y159-E162 PolarHBondContact O-N 2.77Å; Y159-E162 VanDerWaalsContact O-N 3.16Å; L160-E162 PolarHBondContact O-N 2.95Å
163	C	94.5	Very high	91.3	Very high	8 Å²	8	78.2 Å²	78.2	5%	0.054	39%	0.392	C	S	.	.	S	Bend	trans	-78.2	159.9	174.8	-55.3	0	0	0	0	111.1	V151 Y152 C153 L160 D161 Y165	V151-C163 HydrophobicContact CG1-CB 4.2Å; Y152-C163 WeakPolarHBondContact O-CB 3.05Å; C153-C163 HydrophobicContact CB-CB 4.06Å; C153-C163 WeakPolarHBondContact CB-SG 3.38Å; C153-C163 WeakPolarHBondContact SG-CB 3.37Å; C153-C163 CovalentContact SG-SG 2.03Å; C153-C163 PolarHBondContact SG-SG 2.84Å; L160-C163 VanDerWaalsContact O-CB 3.29Å; L160-C163 WeakPolarHBondContact O-CB 3.3Å; L160-C163 PolarHBondContact O-N 2.83Å; L160-C163 VanDerWaalsContact O-N 3.12Å; D161-C163 VanDerWaalsContact C-N 3.3Å; C163-Y165 WeakPolarHBondContact O-CD1 3.14Å
164	V	95.8	Very high	91.1	Very high	106 Å²	106	84.2 Å²	84.2	64%	0.642	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.4	169.8	-179.6	0	0	0	0	107.5	Y152	Y152-V164 PolarHBondContact N-O 3.17Å; Y152-V164 PolarHBondContact O-N 3.36Å
165	Y	95	Very high	91.5	Very high	62 Å²	62	79 Å²	79	24%	0.243	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	160.2	178	61.5	-85	0	0	0	109.7	R100 M148 C163 T167	R100-Y165 PolarHBondContact NE-OH 2.69Å; R100-Y165 PolarHBondContact NH2-OH 3.4Å; M148-Y165 HydrophobicContact CB-CD2 4.24Å; M148-Y165 HydrophobicContact CE-CD1 3.45Å; M148-Y165 VanDerWaalsContact CE-CD1 3.45Å; M148-Y165 HydrophobicContact CE-CD2 3.59Å; M148-Y165 HydrophobicContact CE-CE1 3.81Å; M148-Y165 HydrophobicContact CE-CE2 3.91Å; M148-Y165 HydrophobicContact CE-CG 3.35Å; M148-Y165 HydrophobicContact CG-CD2 3.94Å; M148-Y165 HydrophobicContact CG-CE2 4.14Å; C163-Y165 WeakPolarHBondContact O-CD1 3.14Å; Y165-T167 HydrophobicContact CD2-CG2 4.31Å; Y165-T167 HydrophobicContact CE2-CG2 3.76Å
166	W	94.5	Very high	92.1	Very high	102 Å²	102	79.6 Å²	79.6	39%	0.386	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.2	170	-164.2	13.6	0	0	0	110	M148 D149 D150 E168	M148-W166 WeakPolarHBondContact CA-O 3.45Å; D149-W166 HydrophobicContact CB-CB 4.32Å; D149-W166 PolarHBondContact N-O 2.75Å; D149-W166 PolarHBondContact O-N 2.92Å; D150-W166 HydrophobicContact CB-CB 4.48Å; W166-E168 CarbonylContact C-O 3.56Å; W166-E168 HydrophobicContact CD2-CB 4.33Å; W166-E168 HydrophobicContact CZ2-CB 3.99Å
167	T	91.9	Very high	92.7	Very high	80 Å²	80	75.6 Å²	75.6	49%	0.491	37%	0.366	S	S	.	.	S	Bend	trans	-86.8	-17.4	178.7	51.7	0	0	0	0	113.6	Y165	Y165-T167 HydrophobicContact CD2-CG2 4.31Å; Y165-T167 HydrophobicContact CE2-CG2 3.76Å
168	E	92.1	Very high	93	Very high	122 Å²	122	74.8 Å²	74.8	57%	0.57	36%	0.362	S	S	*	.	S	Bend	trans	-95.2	174	165.5	-53.5	172	177	0	0	106.8	D149 W166	D149-E168 WeakPolarHBondContact CB-O 3.19Å; W166-E168 CarbonylContact C-O 3.56Å; W166-E168 HydrophobicContact CD2-CB 4.33Å; W166-E168 HydrophobicContact CZ2-CB 3.99Å
169	H	93	Very high	93.4	Very high	64 Å²	64	71.6 Å²	71.6	30%	0.296	34%	0.34	S	S	.	.			trans	-145.8	152.5	175.8	70.7	89.7	0	0	0	109.1	D145 Y146 D149 C171	D145-H169 IonicContact OD1-NE2 2.72Å; Y146-H169 AromaticContact CD2-CE1 3.59Å; Y146-H169 AromaticContact CD2-ND1 3.59Å; D149-H169 HydrophobicContact CB-CB 3.71Å; D149-H169 WeakPolarHBondContact OD2-CA 3.46Å; D149-H169 WeakPolarHBondContact OD2-CB 3.35Å; H169-C171 PolarHBondContact ND1-O 2.78Å
170	D	94	Very high	93.4	Very high	105 Å²	105	65.9 Å²	65.9	56%	0.561	32%	0.318	S	S	*	.			trans	-110.6	5.6	166.6	64.1	-19.5	0	0	0	112.7	D149	D149-D170 PolarHBondContact OD2-N 2.89Å
171	C	93.6	Very high	93.3	Very high	12 Å²	12	65.5 Å²	65.5	8%	0.081	32%	0.316	C	S	.	.			trans	-59	138.1	178.5	-54.9	0	0	0	0	113.4	C108 Y146 D149 H169 E175	C108-C171 HydrophobicContact CB-CB 3.77Å; C108-C171 WeakPolarHBondContact CB-SG 3.04Å; C108-C171 WeakPolarHBondContact SG-CB 3.38Å; C108-C171 CovalentContact SG-SG 1.97Å; C108-C171 PolarHBondContact SG-SG 2.81Å; Y146-C171 HydrophobicContact CD2-CB 4.28Å; Y146-C171 HydrophobicContact CE2-CB 4.15Å; D149-C171 VanDerWaalsContact CG-SG 3.56Å; D149-C171 PolarHBondContact OD2-SG 3.45Å; H169-C171 PolarHBondContact ND1-O 2.78Å; C171-E175 WeakPolarHBondContact CA-OE2 3.21Å; C171-E175 HydrophobicContact CB-CB 4.16Å
172	L	89.1	Confident	93	Very high	115 Å²	115	60.1 Å²	60.1	60%	0.602	29%	0.287	S	S	*	.			trans	-75.5	-164.5	173.6	-54.9	178.2	0	0	0	109.9	Y146 E175	Y146-L172 WeakPolarHBondContact CE2-O 3.44Å; Y146-L172 PolarHBondContact OH-O 2.81Å; L172-E175 WeakPolarHBondContact CA-OE2 3.23Å; L172-E175 VanDerWaalsContact CB-OE2 3.28Å; L172-E175 WeakPolarHBondContact CB-OE2 2.97Å; L172-E175 PolarHBondContact N-OE2 3.44Å
173	K	87.8	Confident	92.6	Very high	190 Å²	190	55.5 Å²	55.5	83%	0.826	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	144.2	176.6	-65.5	-173.7	177.5	-174.9	0	110.3
174	R	90.8	Very high	91.4	Very high	127 Å²	127	55.9 Å²	55.9	48%	0.479	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	38.6	172.6	-47.7	-166.8	74.8	117.4	12.5	113.7	R135 D136 Y146 E176	R135-R174 CarbonylContact C-O 3.54Å; R135-R174 WeakPolarHBondContact CA-O 3.04Å; D136-R174 HydrophobicContact CB-CB 3.78Å; D136-R174 WeakPolarHBondContact CB-O 3.44Å; D136-R174 PolarHBondContact N-O 3.45Å; D136-R174 IonicContact OD2-CZ 2.67Å; D136-R174 VanDerWaalsContact OD2-CZ 3.25Å; D136-R174 IonicContact OD2-NE 3.76Å; D136-R174 PolarHBondContact OD2-NE 3.3Å; D136-R174 VanDerWaalsContact OD2-NE 3.14Å; D136-R174 IonicContact OD2-NH2 3.12Å; D136-R174 PolarHBondContact OD2-NH2 2.99Å; Y146-R174 PolarHBondContact OH-N 2.97Å; R174-E176 VanDerWaalsContact C-OE2 3.3Å; R174-E176 WeakPolarHBondContact CA-OE2 3.36Å
175	E	95.2	Very high	90.2	Very high	43 Å²	43	53.4 Å²	53.4	20%	0.201	25%	0.25	C	C	.	.			trans	-112	28	178.3	-69.3	-170.1	118.7	0	0	111.1	C108 D109 Y146 C171 L172 A177	C108-E175 CarbonylContact C-O 3.59Å; C108-E175 WeakPolarHBondContact CA-O 3.47Å; D109-E175 WeakPolarHBondContact CB-O 3.48Å; D109-E175 PolarHBondContact N-O 3.45Å; D109-E175 WeakPolarHBondContact OD1-CB 3.48Å; Y146-E175 PolarHBondContact OH-N 3.06Å; C171-E175 WeakPolarHBondContact CA-OE2 3.21Å; C171-E175 HydrophobicContact CB-CB 4.16Å; L172-E175 WeakPolarHBondContact CA-OE2 3.23Å; L172-E175 VanDerWaalsContact CB-OE2 3.28Å; L172-E175 WeakPolarHBondContact CB-OE2 2.97Å; L172-E175 PolarHBondContact N-OE2 3.44Å; E175-A177 PolarHBondContact O-N 2.95Å
176	E	95.9	Very high	88.5	Confident	17 Å²	17	50.8 Å²	50.8	8%	0.079	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-67	121.8	178.5	-69.1	71.9	-154.8	0	0	111.9	T95 T106 D136 Y146 R174	T95-E176 HydrophobicContact CG2-CB 3.7Å; T95-E176 HydrophobicContact CG2-CG 4.06Å; T106-E176 HydrophobicContact CG2-CG 3.73Å; D136-E176 WeakPolarHBondContact CB-OE2 3.32Å; D136-E176 PolarHBondContact N-O 3.29Å; Y146-E176 HydrophobicContact CE1-CG 4.08Å; Y146-E176 VanDerWaalsContact OH-CD 3.26Å; Y146-E176 PolarHBondContact OH-OE1 2.56Å; R174-E176 VanDerWaalsContact C-OE2 3.3Å; R174-E176 WeakPolarHBondContact CA-OE2 3.36Å
177	A	97.2	Very high	86.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.			trans	-72.8	136.9	170	0	0	0	0	0	111.2	V96 I107 D109 W112 E175	V96-A177 PolarHBondContact N-O 3.38Å; I107-A177 HydrophobicContact CB-CB 4.05Å; I107-A177 HydrophobicContact CG2-CB 4.15Å; I107-A177 WeakPolarHBondContact O-CB 3.43Å; I107-A177 PolarHBondContact O-N 2.83Å; D109-A177 HydrophobicContact CB-CB 4.18Å; W112-A177 HydrophobicContact CB-CB 4.42Å; W112-A177 HydrophobicContact CD2-CB 3.64Å; W112-A177 HydrophobicContact CE3-CB 4.07Å; W112-A177 HydrophobicContact CG-CB 3.78Å; W112-A177 HydrophobicContact CZ2-CB 4.28Å; E175-A177 PolarHBondContact O-N 2.95Å
178	G	96.8	Very high	84.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	175.4	177.3	0	0	0	0	0	112.1	G94 W112 T133	G94-G178 CarbonylContact O-C 3.48Å; G94-G178 WeakPolarHBondContact O-CA 3.15Å; W112-G178 PolarHBondContact NE1-O 3.15Å; T133-G178 PolarHBondContact N-O 3.49Å; T133-G178 PolarHBondContact O-N 3.45Å; T133-G178 WeakPolarHBondContact OG1-CA 3.15Å; T133-G178 PolarHBondContact OG1-N 2.9Å; T133-G178 PolarHBondContact OG1-O 2.79Å
179	V	95.9	Very high	82.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.9	176	-59.3	0	0	0	0	111.2	L85 E93 G94 V96 W112 A117 I120 Q131	L85-V179 HydrophobicContact CD1-CG2 3.75Å; L85-V179 HydrophobicContact CD2-CG2 3.55Å; L85-V179 HydrophobicContact CG-CG2 4.32Å; E93-V179 WeakPolarHBondContact CA-O 3.28Å; G94-V179 PolarHBondContact N-O 3.05Å; G94-V179 PolarHBondContact O-N 2.9Å; V96-V179 HydrophobicContact CG2-CG1 3.92Å; V96-V179 HydrophobicContact CG2-CG2 4.3Å; W112-V179 HydrophobicContact CZ2-CG1 3.81Å; A117-V179 HydrophobicContact CB-CB 4.38Å; A117-V179 HydrophobicContact CB-CG1 3.58Å; I120-V179 HydrophobicContact CB-CG1 4Å; I120-V179 HydrophobicContact CG1-CG1 4.27Å; I120-V179 HydrophobicContact CG2-CG1 3.98Å; I120-V179 HydrophobicContact CG2-CG2 3.85Å; Q131-V179 WeakPolarHBondContact O-CA 3.39Å
180	I	92.3	Very high	80	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.5	162.3	-53.1	-176.3	0	0	0	105.8	E93 A129 L130 Q131 T133 Y137 F138 K422	E93-I180 HydrophobicContact CB-CB 4.34Å; E93-I180 HydrophobicContact CB-CG1 4.08Å; E93-I180 HydrophobicContact CB-CG2 4.19Å; A129-I180 CarbonylContact C-O 3.41Å; L130-I180 WeakPolarHBondContact CA-O 3.21Å; L130-I180 HydrophobicContact CB-CG2 4.48Å; L130-I180 WeakPolarHBondContact CB-O 3.2Å; L130-I180 PolarHBondContact N-O 3.22Å; Q131-I180 HydrophobicContact CB-CB 4.16Å; Q131-I180 HydrophobicContact CB-CD1 4.39Å; Q131-I180 HydrophobicContact CB-CG1 4.33Å; Q131-I180 PolarHBondContact N-O 2.65Å; Q131-I180 PolarHBondContact O-N 3.3Å; T133-I180 HydrophobicContact CG2-CD1 3.92Å; T133-I180 HydrophobicContact CG2-CG1 3.85Å; Y137-I180 HydrophobicContact CE1-CD1 4.2Å; F138-I180 HydrophobicContact CZ-CD1 4.29Å; F138-I180 HydrophobicContact CZ-CG1 3.94Å; I180-K422 HydrophobicContact CD1-CD 3.92Å; I180-K422 HydrophobicContact CD1-CG 3.58Å; I180-K422 HydrophobicContact CG2-CB 4.15Å; I180-K422 HydrophobicContact CG2-CG 4.19Å
181	C	90	Very high	77.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.6	-179.1	-52.6	0	0	0	0	110.6	N92 C121 F126 H128 N183	N92-C181 HydrophobicContact CB-CB 4.09Å; N92-C181 PolarHBondContact ND2-O 3.48Å; N92-C181 WeakPolarHBondContact O-CA 3.5Å; N92-C181 VanDerWaalsContact O-CB 3.28Å; N92-C181 WeakPolarHBondContact O-CB 3.26Å; N92-C181 PolarHBondContact O-N 2.58Å; C121-C181 WeakPolarHBondContact CA-SG 3.47Å; C121-C181 HydrophobicContact CB-CB 3.69Å; C121-C181 WeakPolarHBondContact CB-SG 3.36Å; C121-C181 WeakPolarHBondContact SG-CA 3.47Å; C121-C181 WeakPolarHBondContact SG-CB 3.18Å; C121-C181 CovalentContact SG-SG 2.02Å; C121-C181 PolarHBondContact SG-SG 3.39Å; F126-C181 HydrophobicContact CB-CB 3.64Å; F126-C181 HydrophobicContact CD2-CB 3.62Å; F126-C181 HydrophobicContact CE2-CB 4.47Å; F126-C181 HydrophobicContact CG-CB 3.68Å; H128-C181 WeakPolarHBondContact O-CA 3.47Å; C181-N183 PolarHBondContact O-N 2Å
182	L	86.1	Confident	75.8	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	21%	0.205	C	C	.	.			trans	-67	119.8	168.8	-178.5	67.2	0	0	0	108	P127 H128 L130 P184 Y426 V439 H441	P127-L182 VanDerWaalsContact CD-O 3.28Å; P127-L182 WeakPolarHBondContact CD-O 3.31Å; H128-L182 WeakPolarHBondContact CE1-CD2 3.27Å; H128-L182 PolarHBondContact O-N 2.77Å; L130-L182 HydrophobicContact CD1-CB 4.32Å; L130-L182 HydrophobicContact CD1-CD1 4.15Å; L130-L182 HydrophobicContact CD2-CB 3.82Å; L130-L182 HydrophobicContact CD2-CD1 4.19Å; L130-L182 HydrophobicContact CD2-CG 4.49Å; L130-L182 HydrophobicContact CG-CB 3.99Å; L182-P184 VanDerWaalsContact O-CD 3.29Å; L182-P184 WeakPolarHBondContact O-CD 3.46Å; L182-Y426 HydrophobicContact CD1-CD2 4.15Å; L182-Y426 HydrophobicContact CD1-CE2 4.11Å; L182-V439 HydrophobicContact CD2-CB 4.18Å; L182-V439 HydrophobicContact CD2-CG2 3.58Å; L182-H441 HydrophobicContact CD1-CB 4.21Å
183	N	82.3	Confident	74.1	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.043	18%	0.184	C	C	.	.			trans	-90.2	107.6	169.9	-171.1	-2.5	0	0	0	108.9	K91 N92 F126 C181 E185 P186	K91-N183 WeakPolarHBondContact CE-ND2 3.16Å; N92-N183 HydrophobicContact CB-CB 4.03Å; N92-N183 PolarHBondContact OD1-ND2 3.09Å; F126-N183 HydrophobicContact CE1-CB 4.49Å; C181-N183 PolarHBondContact O-N 2Å; N183-E185 PolarHBondContact O-N 2.93Å; N183-E185 PolarHBondContact OD1-N 3.32Å; N183-E185 VanDerWaalsContact OD1-N 3.14Å; N183-E185 PolarHBondContact OD1-O 2.99Å; N183-E185 VanDerWaalsContact OD1-O 3.09Å; N183-P186 VanDerWaalsContact ND2-CA 3.33Å; N183-P186 WeakPolarHBondContact ND2-CA 2.93Å; N183-P186 WeakPolarHBondContact O-CD 3.38Å
184	P	69.5	Low	72.6	Confident	15 Å²	15	42.4 Å²	42.4	10%	0.097	19%	0.185	C	C	.	.	S	Bend	trans	-73	-13	-179.4	32.2	-35.3	0	0	0	112.1	P127 L182 P186 Y426 L436 V439	P127-P184 HydrophobicContact CG-CB 3.89Å; P127-P184 HydrophobicContact CG-CG 3.56Å; L182-P184 VanDerWaalsContact O-CD 3.29Å; L182-P184 WeakPolarHBondContact O-CD 3.46Å; P184-P186 VanDerWaalsContact C-CD 3.48Å; P184-Y426 WeakPolarHBondContact CA-OH 3.41Å; P184-Y426 VanDerWaalsContact O-CZ 3.28Å; P184-Y426 PolarHBondContact O-OH 3.04Å; P184-L436 HydrophobicContact CB-CD2 3.63Å; P184-L436 HydrophobicContact CG-CD2 4.5Å; P184-V439 HydrophobicContact CB-CG1 4.15Å
185	E	70.7	Confident	70.9	Confident	55 Å²	55	40.7 Å²	40.7	26%	0.257	19%	0.186	S	C	.	.			trans	-138.6	61.2	-168.5	-80	-170.8	-178.7	0	0	108.4	N183 I187 K188	N183-E185 PolarHBondContact O-N 2.93Å; N183-E185 PolarHBondContact OD1-N 3.32Å; N183-E185 VanDerWaalsContact OD1-N 3.14Å; N183-E185 PolarHBondContact OD1-O 2.99Å; N183-E185 VanDerWaalsContact OD1-O 3.09Å; E185-I187 PolarHBondContact O-N 3.05Å; E185-K188 HydrophobicContact CB-CB 3.73Å; E185-K188 HydrophobicContact CB-CG 4.43Å; E185-K188 VanDerWaalsContact CD-NZ 3.26Å; E185-K188 HydrophobicContact CG-CB 3.85Å; E185-K188 HydrophobicContact CG-CD 4.21Å; E185-K188 HydrophobicContact CG-CG 4.33Å; E185-K188 PolarHBondContact O-N 3.43Å; E185-K188 WeakPolarHBondContact OE1-CD 2.93Å; E185-K188 WeakPolarHBondContact OE1-CE 3.15Å; E185-K188 IonicContact OE1-NZ 3.84Å; E185-K188 PolarHBondContact OE1-NZ 3.43Å; E185-K188 WeakPolarHBondContact OE2-CD 3.32Å; E185-K188 WeakPolarHBondContact OE2-CE 3.45Å; E185-K188 WeakPolarHBondContact OE2-CG 3.27Å; E185-K188 IonicContact OE2-NZ 2.7Å; E185-K188 PolarHBondContact OE2-NZ 3.18Å; E185-K188 VanDerWaalsContact OE2-NZ 3.12Å
186	P	60	Low	69.3	Low	6 Å²	6	39.2 Å²	39.2	4%	0.039	18%	0.18	C	C	.	.	S	Bend	trans	-58.6	-39.1	178.6	25.1	-31.6	0	0	0	111.1	N183 P184 Y426 P509	N183-P186 VanDerWaalsContact ND2-CA 3.33Å; N183-P186 WeakPolarHBondContact ND2-CA 2.93Å; N183-P186 WeakPolarHBondContact O-CD 3.38Å; P184-P186 VanDerWaalsContact C-CD 3.48Å; P186-Y426 HydrophobicContact CG-CD1 4.2Å; P186-P509 HydrophobicContact CB-CB 3.68Å; P186-P509 HydrophobicContact CG-CB 3.53Å
187	I	56.3	Low	67.6	Low	12 Å²	12	40.3 Å²	40.3	6%	0.062	19%	0.185	C	C	.	.	S	Bend	trans	-94.2	-22.9	-178.9	-53.6	144.2	0	0	0	112.3	E185 W189 I506 P547 Y548	E185-I187 PolarHBondContact O-N 3.05Å; I187-W189 VanDerWaalsContact C-N 3.32Å; I187-W189 PolarHBondContact O-N 2.78Å; I187-W189 PolarHBondContact O-NE1 2.98Å; I187-W189 VanDerWaalsContact O-NE1 3.12Å; I187-I506 HydrophobicContact CD1-CD1 3.4Å; I187-I506 VanDerWaalsContact CD1-CD1 3.4Å; I187-I506 HydrophobicContact CD1-CG1 3.97Å; I187-I506 HydrophobicContact CD1-CG2 4.02Å; I187-P547 HydrophobicContact CD1-CB 3.41Å; I187-P547 VanDerWaalsContact CD1-CB 3.41Å; I187-P547 HydrophobicContact CG1-CB 3.96Å; I187-Y548 HydrophobicContact CG2-CD1 3.35Å; I187-Y548 HydrophobicContact CG2-CE1 3.79Å; I187-Y548 HydrophobicContact CG2-CG 4.38Å
188	K	53	Low	66.3	Low	118 Å²	118	40.8 Å²	40.8	51%	0.513	19%	0.187	S	C	.	.			trans	-82.7	90.9	175.9	176.8	168.4	156.4	-143.5	0	108.2	E185	E185-K188 HydrophobicContact CB-CB 3.73Å; E185-K188 HydrophobicContact CB-CG 4.43Å; E185-K188 VanDerWaalsContact CD-NZ 3.26Å; E185-K188 HydrophobicContact CG-CB 3.85Å; E185-K188 HydrophobicContact CG-CD 4.21Å; E185-K188 HydrophobicContact CG-CG 4.33Å; E185-K188 PolarHBondContact O-N 3.43Å; E185-K188 WeakPolarHBondContact OE1-CD 2.93Å; E185-K188 WeakPolarHBondContact OE1-CE 3.15Å; E185-K188 IonicContact OE1-NZ 3.84Å; E185-K188 PolarHBondContact OE1-NZ 3.43Å; E185-K188 WeakPolarHBondContact OE2-CD 3.32Å; E185-K188 WeakPolarHBondContact OE2-CE 3.45Å; E185-K188 WeakPolarHBondContact OE2-CG 3.27Å; E185-K188 IonicContact OE2-NZ 2.7Å; E185-K188 PolarHBondContact OE2-NZ 3.18Å; E185-K188 VanDerWaalsContact OE2-NZ 3.12Å
189	W	43.4	Very low	64.7	Low	41 Å²	41	43.7 Å²	43.7	16%	0.155	20%	0.201	C	C	.	.			trans	-48.2	167.4	162.5	-49.6	81.4	0	0	0	109.3	I187 Y191 Q250 G292 H293 Y548	I187-W189 VanDerWaalsContact C-N 3.32Å; I187-W189 PolarHBondContact O-N 2.78Å; I187-W189 PolarHBondContact O-NE1 2.98Å; I187-W189 VanDerWaalsContact O-NE1 3.12Å; W189-Y191 WeakPolarHBondContact CB-O 3.34Å; W189-Y191 PolarHBondContact O-N 2.8Å; W189-Q250 HydrophobicContact CE3-CG 4.14Å; W189-Q250 HydrophobicContact CH2-CB 3.55Å; W189-Q250 HydrophobicContact CH2-CG 3.87Å; W189-Q250 HydrophobicContact CZ3-CB 3.37Å; W189-Q250 HydrophobicContact CZ3-CG 3.22Å; W189-G292 WeakPolarHBondContact CH2-O 3.37Å; W189-G292 WeakPolarHBondContact CZ3-O 3.14Å; W189-H293 HydrophobicContact CZ2-CB 4.5Å; W189-Y548 HydrophobicContact CZ2-CE1 4.4Å; W189-Y548 AromaticContact NE1-CE1 3.77Å
190	Q	40.3	Very low	63.4	Low	42 Å²	42	53 Å²	53	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-54.4	-2	159.6	-98.7	-173.8	-7.6	0	0	114.9	N76 Q77 E199	N76-Q190 HydrophobicContact CB-CG 4.12Å; N76-Q190 PolarHBondContact O-NE2 3.43Å; Q77-Q190 VanDerWaalsContact CD-CG 3.5Å; Q77-Q190 HydrophobicContact CG-CG 3.59Å; Q77-Q190 VanDerWaalsContact OE1-CD 3.3Å; Q190-E199 PolarHBondContact NE2-OE1 2.63Å; Q190-E199 PolarHBondContact OE1-OE1 3.39Å
191	Y	48.9	Very low	62.6	Low	49 Å²	49	54.9 Å²	54.9	19%	0.192	25%	0.251	C	S	.	.	S	Bend	trans	-139.4	150.1	-176.4	-46.5	-64.8	0	0	0	112.1	W189 V193 P196 Q197 E199	W189-Y191 WeakPolarHBondContact CB-O 3.34Å; W189-Y191 PolarHBondContact O-N 2.8Å; Y191-V193 PolarHBondContact O-N 3.44Å; Y191-P196 VanDerWaalsContact CB-CA 3.46Å; Y191-Q197 HydrophobicContact CD1-CB 3.3Å; Y191-Q197 HydrophobicContact CD1-CG 3.35Å; Y191-Q197 VanDerWaalsContact CD1-N 3.27Å; Y191-Q197 WeakPolarHBondContact CD2-O 3.32Å; Y191-Q197 HydrophobicContact CE1-CB 3.17Å; Y191-Q197 HydrophobicContact CE1-CG 3.61Å; Y191-Q197 HydrophobicContact CE2-CB 4.35Å; Y191-Q197 WeakPolarHBondContact CE2-O 3.42Å; Y191-Q197 HydrophobicContact CG-CB 4Å; Y191-Q197 HydrophobicContact CG-CG 4.24Å; Y191-E199 WeakPolarHBondContact OH-CA 3.38Å; Y191-E199 WeakPolarHBondContact OH-CG 3.07Å; Y191-E199 PolarHBondContact OH-N 2.82Å
192	N	50	Low	62.4	Low	99 Å²	99	57 Å²	57	53%	0.529	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-58.9	134.3	168.1	-171.1	-29.4	0	0	0	108.4	R194 N195	N192-R194 PolarHBondContact O-N 2.65Å; N192-R194 VanDerWaalsContact O-N 3.08Å; N192-R194 VanDerWaalsContact OD1-CB 3.22Å; N192-R194 WeakPolarHBondContact OD1-CB 3.18Å; N192-R194 WeakPolarHBondContact OD1-CG 3.1Å; N192-R194 PolarHBondContact OD1-N 2.79Å; N192-N195 CarbonylContact O-C 3.53Å; N192-N195 WeakPolarHBondContact O-CA 3.15Å; N192-N195 PolarHBondContact O-N 2.98Å
193	V	53.9	Low	62.3	Low	29 Å²	29	62.1 Å²	62.1	18%	0.176	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-36.1	169.6	178.1	0	0	0	0	110.2	Y191 N195 H293 F295 Y548	Y191-V193 PolarHBondContact O-N 3.44Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.14Å; V193-H293 WeakPolarHBondContact CG1-NE2 3.43Å; V193-H293 PolarHBondContact O-CE1 2.79Å; V193-H293 VanDerWaalsContact O-CE1 3.31Å; V193-F295 HydrophobicContact CG1-CZ 4.37Å; V193-Y548 HydrophobicContact CG1-CG 4.5Å; V193-Y548 HydrophobicContact CG2-CD1 3.89Å; V193-Y548 HydrophobicContact CG2-CG 4.37Å
194	R	55.1	Low	62.6	Low	225 Å²	225	66.7 Å²	66.7	85%	0.849	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.7	176.1	-56.2	-178.7	-177.1	-138.6	-2.2	114.7	N192	N192-R194 PolarHBondContact O-N 2.65Å; N192-R194 VanDerWaalsContact O-N 3.08Å; N192-R194 VanDerWaalsContact OD1-CB 3.22Å; N192-R194 WeakPolarHBondContact OD1-CB 3.18Å; N192-R194 WeakPolarHBondContact OD1-CG 3.1Å; N192-R194 PolarHBondContact OD1-N 2.79Å
195	N	56.5	Low	63.4	Low	90 Å²	90	68.1 Å²	68.1	48%	0.481	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-150.4	72	-179.3	-169.7	25.8	0	0	0	112.8	N192 V193 Q197	N192-N195 CarbonylContact O-C 3.53Å; N192-N195 WeakPolarHBondContact O-CA 3.15Å; N192-N195 PolarHBondContact O-N 2.98Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.14Å; N195-Q197 PolarHBondContact ND2-NE2 3.44Å; N195-Q197 PolarHBondContact O-N 2.03Å; N195-Q197 PolarHBondContact O-NE2 3.12Å; N195-Q197 PolarHBondContact OD1-NE2 2.91Å
196	P	61.6	Low	64.2	Low	13 Å²	13	65.7 Å²	65.7	8%	0.084	32%	0.318	C	S	.	.			trans	-65.4	124.6	178	25.9	-31.2	0	0	0	109.5	Y191 K210 V305 F307	Y191-P196 VanDerWaalsContact CB-CA 3.46Å; P196-K210 PolarHBondContact O-NZ 3Å; P196-V305 HydrophobicContact CG-CG1 3.54Å; P196-F307 HydrophobicContact CB-CE2 4.19Å; P196-F307 HydrophobicContact CB-CZ 3.79Å; P196-F307 HydrophobicContact CG-CE2 4.25Å; P196-F307 HydrophobicContact CG-CZ 3.85Å
197	Q	60.7	Low	65.6	Low	40 Å²	40	72.2 Å²	72.2	19%	0.187	35%	0.345	C	S	.	.			trans	-96.3	176.5	161	-32.8	-66.8	-61.7	0	0	108.4	Y191 N195 N203 I206	Y191-Q197 HydrophobicContact CD1-CB 3.3Å; Y191-Q197 HydrophobicContact CD1-CG 3.35Å; Y191-Q197 VanDerWaalsContact CD1-N 3.27Å; Y191-Q197 WeakPolarHBondContact CD2-O 3.32Å; Y191-Q197 HydrophobicContact CE1-CB 3.17Å; Y191-Q197 HydrophobicContact CE1-CG 3.61Å; Y191-Q197 HydrophobicContact CE2-CB 4.35Å; Y191-Q197 WeakPolarHBondContact CE2-O 3.42Å; Y191-Q197 HydrophobicContact CG-CB 4Å; Y191-Q197 HydrophobicContact CG-CG 4.24Å; N195-Q197 PolarHBondContact ND2-NE2 3.44Å; N195-Q197 PolarHBondContact O-N 2.03Å; N195-Q197 PolarHBondContact O-NE2 3.12Å; N195-Q197 PolarHBondContact OD1-NE2 2.91Å; Q197-N203 PolarHBondContact OE1-OD1 3.03Å; Q197-I206 HydrophobicContact CB-CD1 3.7Å
198	I	69.3	Low	67.3	Low	9 Å²	9	76.7 Å²	76.7	5%	0.046	36%	0.361	C	S	.	.			trans	-130.5	136.8	169.4	-65.4	170	0	0	0	104.8	L201 F307 P314	I198-L201 HydrophobicContact CB-CD1 3.84Å; I198-L201 HydrophobicContact CB-CG 4.44Å; I198-L201 HydrophobicContact CD1-CD1 4.06Å; I198-L201 HydrophobicContact CG2-CD1 3.84Å; I198-L201 HydrophobicContact CG2-CG 4.31Å; I198-L201 PolarHBondContact O-N 3.05Å; I198-F307 HydrophobicContact CD1-CB 3.79Å; I198-F307 HydrophobicContact CD1-CD1 3.44Å; I198-F307 VanDerWaalsContact CD1-CD1 3.44Å; I198-F307 HydrophobicContact CD1-CD2 3.68Å; I198-F307 HydrophobicContact CD1-CE1 3.74Å; I198-F307 HydrophobicContact CD1-CE2 4.01Å; I198-F307 HydrophobicContact CD1-CG 3.38Å; I198-F307 HydrophobicContact CD1-CZ 4.02Å; I198-F307 HydrophobicContact CG1-CD1 4.2Å; I198-F307 HydrophobicContact CG1-CD2 4.34Å; I198-F307 HydrophobicContact CG1-CE1 3.97Å; I198-F307 HydrophobicContact CG1-CE2 4.17Å; I198-F307 HydrophobicContact CG1-CG 4.36Å; I198-F307 HydrophobicContact CG1-CZ 3.96Å; I198-P314 HydrophobicContact CG2-CB 4.05Å; I198-P314 HydrophobicContact CG2-CG 4.03Å
199	E	62.5	Low	69.2	Low	62 Å²	62	71.3 Å²	71.3	29%	0.29	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	147.2	-177.2	-68.3	-157	128.9	0	0	111	Q77 Q190 Y191 L201	Q77-E199 PolarHBondContact OE1-OE2 2.7Å; Q190-E199 PolarHBondContact NE2-OE1 2.63Å; Q190-E199 PolarHBondContact OE1-OE1 3.39Å; Y191-E199 WeakPolarHBondContact OH-CA 3.38Å; Y191-E199 WeakPolarHBondContact OH-CG 3.07Å; Y191-E199 PolarHBondContact OH-N 2.82Å; E199-L201 PolarHBondContact O-N 3.43Å
200	K	68.4	Low	71.5	Confident	196 Å²	196	72.8 Å²	72.8	85%	0.852	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	6.2	177.6	-51.8	169.6	-175.9	170.1	0	114.5
201	L	76.8	Confident	73.9	Confident	41 Å²	41	78.4 Å²	78.4	22%	0.215	37%	0.372	C	S	.	.			trans	-100.8	141.9	171.1	-72.6	-179.3	0	0	0	111.9	I198 E199 D205 I206 M209 P314	I198-L201 HydrophobicContact CB-CD1 3.84Å; I198-L201 HydrophobicContact CB-CG 4.44Å; I198-L201 HydrophobicContact CD1-CD1 4.06Å; I198-L201 HydrophobicContact CG2-CD1 3.84Å; I198-L201 HydrophobicContact CG2-CG 4.31Å; I198-L201 PolarHBondContact O-N 3.05Å; E199-L201 PolarHBondContact O-N 3.43Å; L201-D205 HydrophobicContact CB-CB 4.46Å; L201-D205 HydrophobicContact CD2-CB 4.1Å; L201-I206 HydrophobicContact CB-CD1 4.19Å; L201-I206 HydrophobicContact CB-CG1 3.95Å; L201-M209 HydrophobicContact CD1-CE 4.01Å; L201-M209 HydrophobicContact CD1-SD 3.54Å; L201-M209 VanDerWaalsContact CD1-SD 3.54Å; L201-M209 HydrophobicContact CD2-CE 4.39Å; L201-P314 HydrophobicContact CD1-CG 3.66Å; L201-P314 HydrophobicContact CD2-CG 4.21Å; L201-P314 HydrophobicContact CG-CG 3.92Å
202	S	84.5	Confident	76	Confident	45 Å²	45	78.4 Å²	78.4	32%	0.315	37%	0.374	S	S	.	.			trans	-72.3	153.7	172.8	73.9	0	0	0	0	110.5	T204 D205 I206	S202-T204 PolarHBondContact O-N 3.49Å; S202-T204 VanDerWaalsContact O-N 3.1Å; S202-T204 PolarHBondContact OG-OG1 2.86Å; S202-D205 WeakPolarHBondContact CB-OD2 2.97Å; S202-D205 PolarHBondContact O-N 3.26Å; S202-D205 PolarHBondContact OG-N 2.88Å; S202-D205 PolarHBondContact OG-OD2 3.49Å; S202-I206 PolarHBondContact O-N 2.84Å
203	N	84.1	Confident	78	Confident	109 Å²	109	78.6 Å²	78.6	58%	0.583	37%	0.374	S	S	*	.	H	α-helix	trans	-55.2	-30.3	173.1	-71.8	-14.2	0	0	0	112.4	Q197 K207	Q197-N203 PolarHBondContact OE1-OD1 3.03Å; N203-K207 WeakPolarHBondContact O-CB 3.29Å; N203-K207 VanDerWaalsContact O-CG 3.3Å; N203-K207 WeakPolarHBondContact O-CG 3.05Å; N203-K207 PolarHBondContact O-N 2.93Å
204	T	88.2	Confident	80	Confident	105 Å²	105	77.7 Å²	77.7	64%	0.644	37%	0.367	S	S	*	.	H	α-helix	trans	-70.6	-42.4	175.8	35.7	0	0	0	0	112.3	S202 K207 R208	S202-T204 PolarHBondContact O-N 3.49Å; S202-T204 VanDerWaalsContact O-N 3.1Å; S202-T204 PolarHBondContact OG-OG1 2.86Å; T204-K207 PolarHBondContact O-N 2.76Å; T204-R208 WeakPolarHBondContact O-CB 3.44Å; T204-R208 PolarHBondContact O-N 3.28Å
205	D	88.2	Confident	82	Confident	45 Å²	45	72.6 Å²	72.6	24%	0.241	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-41.8	175.8	-64.2	-49	0	0	0	111	L201 S202 R208 M209	L201-D205 HydrophobicContact CB-CB 4.46Å; L201-D205 HydrophobicContact CD2-CB 4.1Å; S202-D205 WeakPolarHBondContact CB-OD2 2.97Å; S202-D205 PolarHBondContact O-N 3.26Å; S202-D205 PolarHBondContact OG-N 2.88Å; S202-D205 PolarHBondContact OG-OD2 3.49Å; D205-R208 WeakPolarHBondContact O-CB 3.38Å; D205-R208 PolarHBondContact O-N 2.96Å; D205-R208 IonicContact OD1-CZ 3.44Å; D205-R208 IonicContact OD1-NH1 2.69Å; D205-R208 PolarHBondContact OD1-NH1 3.23Å; D205-R208 IonicContact OD1-NH2 3.52Å; D205-M209 WeakPolarHBondContact O-CB 3.33Å; D205-M209 WeakPolarHBondContact O-CG 3.39Å; D205-M209 PolarHBondContact O-N 3.2Å
206	I	86.9	Confident	83.8	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-50	175.5	-74.7	160.6	0	0	0	111.2	Q197 L201 S202 R208 M209 K210 F307	Q197-I206 HydrophobicContact CB-CD1 3.7Å; L201-I206 HydrophobicContact CB-CD1 4.19Å; L201-I206 HydrophobicContact CB-CG1 3.95Å; S202-I206 PolarHBondContact O-N 2.84Å; I206-R208 VanDerWaalsContact C-N 3.3Å; I206-R208 PolarHBondContact O-N 3.42Å; I206-M209 PolarHBondContact O-N 3.36Å; I206-K210 HydrophobicContact CG2-CD 4.21Å; I206-K210 WeakPolarHBondContact O-CG 3.48Å; I206-K210 PolarHBondContact O-N 3.32Å; I206-F307 HydrophobicContact CG2-CE1 3.9Å
207	K	89.7	Confident	85.3	Confident	143 Å²	143	72 Å²	72	62%	0.622	34%	0.343	S	S	*	.	H	α-helix	trans	-60.9	-41.1	177.6	-76.9	178.1	-179.2	-175.4	0	111.6	N203 T204 Q211	N203-K207 WeakPolarHBondContact O-CB 3.29Å; N203-K207 VanDerWaalsContact O-CG 3.3Å; N203-K207 WeakPolarHBondContact O-CG 3.05Å; N203-K207 PolarHBondContact O-N 2.93Å; T204-K207 PolarHBondContact O-N 2.76Å; K207-Q211 VanDerWaalsContact O-CG 3.32Å; K207-Q211 WeakPolarHBondContact O-CG 3.39Å; K207-Q211 PolarHBondContact O-N 2.87Å
208	R	92	Very high	86.9	Confident	105 Å²	105	71 Å²	71	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-51.3	175	-177.1	-172.7	73	-129.3	-0	110.7	T204 D205 I206 K210 Q211 Q212 D309	T204-R208 WeakPolarHBondContact O-CB 3.44Å; T204-R208 PolarHBondContact O-N 3.28Å; D205-R208 WeakPolarHBondContact O-CB 3.38Å; D205-R208 PolarHBondContact O-N 2.96Å; D205-R208 IonicContact OD1-CZ 3.44Å; D205-R208 IonicContact OD1-NH1 2.69Å; D205-R208 PolarHBondContact OD1-NH1 3.23Å; D205-R208 IonicContact OD1-NH2 3.52Å; I206-R208 VanDerWaalsContact C-N 3.3Å; I206-R208 PolarHBondContact O-N 3.42Å; R208-K210 VanDerWaalsContact C-N 3.34Å; R208-K210 PolarHBondContact O-N 2.91Å; R208-Q211 PolarHBondContact O-N 3.23Å; R208-Q211 VanDerWaalsContact O-N 3.16Å; R208-Q212 PolarHBondContact O-N 3.42Å; R208-D309 IonicContact CZ-OD2 3.68Å; R208-D309 IonicContact NE-OD2 3.69Å; R208-D309 IonicContact NH2-OD2 2.86Å; R208-D309 PolarHBondContact NH2-OD2 2.96Å
209	M	93.2	Very high	87.9	Confident	6 Å²	6	73.5 Å²	73.5	3%	0.03	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-37.2	-177.5	-74.4	176.4	168.5	0	0	112.7	L201 D205 I206 Q211 Q212 F307 T308 D309 V313	L201-M209 HydrophobicContact CD1-CE 4.01Å; L201-M209 HydrophobicContact CD1-SD 3.54Å; L201-M209 VanDerWaalsContact CD1-SD 3.54Å; L201-M209 HydrophobicContact CD2-CE 4.39Å; D205-M209 WeakPolarHBondContact O-CB 3.33Å; D205-M209 WeakPolarHBondContact O-CG 3.39Å; D205-M209 PolarHBondContact O-N 3.2Å; I206-M209 PolarHBondContact O-N 3.36Å; M209-Q211 PolarHBondContact O-N 3.19Å; M209-Q212 PolarHBondContact O-N 2.93Å; M209-F307 HydrophobicContact CB-CB 4.07Å; M209-F307 HydrophobicContact CB-CD1 4.33Å; M209-T308 VanDerWaalsContact CA-O 3.32Å; M209-T308 WeakPolarHBondContact CA-O 3.18Å; M209-T308 WeakPolarHBondContact CG-O 3.37Å; M209-T308 PolarHBondContact O-N 3.47Å; M209-D309 HydrophobicContact CE-CB 3.72Å; M209-D309 HydrophobicContact CG-CB 4.24Å; M209-V313 HydrophobicContact CE-CG1 4.49Å
210	K	90.9	Very high	89.3	Confident	72 Å²	72	74.7 Å²	74.7	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-66.5	-23.2	175.4	-75.2	-175.7	179.4	-179.7	0	113.9	P196 I206 R208 F307	P196-K210 PolarHBondContact O-NZ 3Å; I206-K210 HydrophobicContact CG2-CD 4.21Å; I206-K210 WeakPolarHBondContact O-CG 3.48Å; I206-K210 PolarHBondContact O-N 3.32Å; R208-K210 VanDerWaalsContact C-N 3.34Å; R208-K210 PolarHBondContact O-N 2.91Å; K210-F307 HydrophobicContact CD-CE1 4.25Å; K210-F307 HydrophobicContact CG-CD1 3.89Å; K210-F307 HydrophobicContact CG-CE1 3.9Å
211	Q	90.5	Very high	90.2	Very high	159 Å²	159	66.6 Å²	66.6	74%	0.743	33%	0.327	S	S	*	.	H	α-helix	trans	-92	-11.2	-179.8	-71.6	174.5	-13.3	0	0	112.9	K207 R208 M209	K207-Q211 VanDerWaalsContact O-CG 3.32Å; K207-Q211 WeakPolarHBondContact O-CG 3.39Å; K207-Q211 PolarHBondContact O-N 2.87Å; R208-Q211 PolarHBondContact O-N 3.23Å; R208-Q211 VanDerWaalsContact O-N 3.16Å; M209-Q211 PolarHBondContact O-N 3.19Å
212	Q	92.3	Very high	90.4	Very high	49 Å²	49	70.4 Å²	70.4	23%	0.229	34%	0.344	C	S	.	.			trans	-78.4	128	-179.5	-76.2	-168.3	33.2	0	0	110.9	R208 M209 T308	R208-Q212 PolarHBondContact O-N 3.42Å; M209-Q212 PolarHBondContact O-N 2.93Å; Q212-T308 HydrophobicContact CB-CG2 3.89Å; Q212-T308 PolarHBondContact OE1-O 2.89Å; Q212-T308 VanDerWaalsContact OE1-O 3.08Å
213	I	93.4	Very high	90.1	Very high	104 Å²	104	74.5 Å²	74.5	53%	0.533	37%	0.372	S	S	.	.			trans	-78.2	144.7	175.9	66.3	179.8	0	0	0	110.6	W215 P234	I213-W215 HydrophobicContact CD1-CH2 3.48Å; I213-W215 VanDerWaalsContact CD1-CH2 3.48Å; I213-W215 HydrophobicContact CD1-CZ2 3.99Å; I213-W215 HydrophobicContact CD1-CZ3 4.25Å; I213-W215 HydrophobicContact CG1-CH2 4.01Å; I213-W215 HydrophobicContact CG1-CZ3 4.32Å; I213-P234 HydrophobicContact CD1-CG 4.15Å; I213-P234 HydrophobicContact CG1-CG 3.93Å; I213-P234 WeakPolarHBondContact O-CD 3.38Å
214	F	96.2	Very high	89.9	Confident	9 Å²	9	72.4 Å²	72.4	4%	0.039	37%	0.366	C	S	.	.			trans	-139.4	170.4	166	75.9	-75.2	0	0	0	109	A231 R232 V233 V289 L301 E302 T306 T308	F214-A231 HydrophobicContact CD2-CB 4.38Å; F214-R232 CarbonylContact C-O 3.59Å; F214-R232 VanDerWaalsContact CA-O 3.23Å; F214-R232 WeakPolarHBondContact CA-O 3.25Å; F214-R232 WeakPolarHBondContact CB-O 3.42Å; F214-V233 HydrophobicContact CB-CG2 3.91Å; F214-V289 HydrophobicContact CB-CG2 3.87Å; F214-V289 HydrophobicContact CD1-CG1 4.25Å; F214-V289 HydrophobicContact CD1-CG2 4.18Å; F214-V289 HydrophobicContact CD2-CB 4.48Å; F214-V289 HydrophobicContact CD2-CG1 4.22Å; F214-V289 HydrophobicContact CD2-CG2 3.7Å; F214-V289 HydrophobicContact CE1-CG1 4.02Å; F214-V289 HydrophobicContact CE2-CG1 3.97Å; F214-V289 HydrophobicContact CE2-CG2 4.27Å; F214-V289 HydrophobicContact CG-CG1 4.36Å; F214-V289 HydrophobicContact CG-CG2 3.64Å; F214-V289 HydrophobicContact CZ-CG1 3.87Å; F214-L301 HydrophobicContact CE2-CB 4.41Å; F214-L301 HydrophobicContact CZ-CB 4.2Å; F214-E302 HydrophobicContact CD1-CG 4.49Å; F214-E302 HydrophobicContact CE1-CB 4.48Å; F214-E302 HydrophobicContact CE1-CG 4.17Å; F214-E302 HydrophobicContact CE2-CG 4.21Å; F214-E302 HydrophobicContact CZ-CB 4.49Å; F214-E302 HydrophobicContact CZ-CG 4.03Å; F214-E302 VanDerWaalsContact O-CG 3.26Å; F214-E302 WeakPolarHBondContact O-CG 3.09Å; F214-T306 HydrophobicContact CE1-CG2 3.75Å; F214-T306 HydrophobicContact CZ-CG2 3.89Å; F214-T308 HydrophobicContact CB-CG2 3.97Å; F214-T308 WeakPolarHBondContact CD1-OG1 3.49Å
215	W	95.8	Very high	89.8	Confident	118 Å²	118	69.5 Å²	69.5	45%	0.447	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.2	167	-62.8	-89.9	0	0	0	109.6	I213 R232 P234 M241 E302	I213-W215 HydrophobicContact CD1-CH2 3.48Å; I213-W215 VanDerWaalsContact CD1-CH2 3.48Å; I213-W215 HydrophobicContact CD1-CZ2 3.99Å; I213-W215 HydrophobicContact CD1-CZ3 4.25Å; I213-W215 HydrophobicContact CG1-CH2 4.01Å; I213-W215 HydrophobicContact CG1-CZ3 4.32Å; W215-R232 PolarHBondContact N-O 2.91Å; W215-R232 PolarHBondContact O-N 3.45Å; W215-P234 HydrophobicContact CH2-CG 4.05Å; W215-P234 HydrophobicContact CZ3-CG 3.64Å; W215-M241 HydrophobicContact CE3-CE 3.57Å; W215-M241 HydrophobicContact CZ3-CE 3.55Å; W215-M241 HydrophobicContact CZ3-SD 4.28Å; W215-E302 VanDerWaalsContact CA-OE1 3.27Å; W215-E302 WeakPolarHBondContact CA-OE1 3.19Å
216	S	95.4	Very high	90	Very high	17 Å²	17	69.2 Å²	69.2	12%	0.119	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.3	169.9	61.6	0	0	0	0	109.9	K230 E302	S216-K230 WeakPolarHBondContact CA-O 3.45Å; S216-E302 PolarHBondContact N-OE1 3.35Å; S216-E302 PolarHBondContact OG-OE1 2.64Å; S216-E302 PolarHBondContact OG-OE2 3.12Å
217	E	93.3	Very high	90.4	Very high	74 Å²	74	70.7 Å²	70.7	35%	0.346	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131	176.1	-173.2	-173.6	140.1	0	0	109.3	K230 R232	E217-K230 HydrophobicContact CB-CB 4.42Å; E217-K230 PolarHBondContact N-O 3.02Å; E217-K230 WeakPolarHBondContact O-CA 3.21Å; E217-K230 WeakPolarHBondContact O-CB 3.2Å; E217-K230 PolarHBondContact O-N 3.02Å; E217-K230 WeakPolarHBondContact OE1-CE 3.47Å; E217-K230 IonicContact OE1-NZ 2.95Å; E217-K230 PolarHBondContact OE1-NZ 3.11Å; E217-R232 WeakPolarHBondContact OE2-CD 3.47Å
218	M	93.3	Very high	90.6	Very high	20 Å²	20	64 Å²	64	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.5	176.5	-52.6	-59.6	-68.3	0	0	109.4	F227 V229 A259 I263 V324	M218-F227 HydrophobicContact CB-CB 4.23Å; M218-F227 HydrophobicContact CB-CD1 4.31Å; M218-F227 HydrophobicContact CE-CB 3.55Å; M218-V229 HydrophobicContact CE-CG2 3.78Å; M218-V229 HydrophobicContact SD-CB 4.23Å; M218-V229 HydrophobicContact SD-CG1 3.98Å; M218-V229 HydrophobicContact SD-CG2 3.95Å; M218-A259 HydrophobicContact CE-CB 4.19Å; M218-A259 HydrophobicContact SD-CB 4.02Å; M218-I263 HydrophobicContact CB-CD1 3.94Å; M218-I263 HydrophobicContact CB-CG1 4.42Å; M218-I263 HydrophobicContact CB-CG2 3.69Å; M218-I263 HydrophobicContact CG-CD1 4.1Å; M218-I263 HydrophobicContact CG-CG1 4.15Å; M218-I263 HydrophobicContact CG-CG2 3.71Å; M218-V324 HydrophobicContact CE-CG2 3.23Å
219	E	90.8	Very high	90.7	Very high	60 Å²	60	59 Å²	59	28%	0.28	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.6	175.6	178.2	175.7	-179.8	0	0	110	F221 F227 I228 K230 T281	E219-F221 PolarHBondContact O-N 2.72Å; E219-F227 CarbonylContact O-C 3.57Å; E219-F227 WeakPolarHBondContact O-CA 3.14Å; E219-I228 HydrophobicContact CB-CG2 3.91Å; E219-I228 PolarHBondContact N-O 2.92Å; E219-I228 VanDerWaalsContact N-O 3.11Å; E219-I228 WeakPolarHBondContact O-CG2 3.39Å; E219-I228 PolarHBondContact O-N 2.85Å; E219-K230 HydrophobicContact CB-CD 4.12Å; E219-K230 WeakPolarHBondContact OE2-CD 3.47Å; E219-K230 WeakPolarHBondContact OE2-CE 3.19Å; E219-K230 IonicContact OE2-NZ 2.76Å; E219-K230 PolarHBondContact OE2-NZ 3.19Å; E219-T281 VanDerWaalsContact OE1-CG2 3.3Å; E219-T281 WeakPolarHBondContact OE1-CG2 3.48Å; E219-T281 PolarHBondContact OE2-OG1 3.41Å; E219-T281 VanDerWaalsContact OE2-OG1 3.11Å
220	T	90.9	Very high	90.7	Very high	88 Å²	88	59.4 Å²	59.4	54%	0.54	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.4	178	-52.9	0	0	0	0	111.1	L226	T220-L226 WeakPolarHBondContact CA-O 3.39Å
221	F	88.5	Confident	90.9	Very high	26 Å²	26	56 Å²	56	11%	0.114	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.8	-178	-173.8	-102.6	0	0	0	111	E219 S223 S224 L226 I228 V274 V279 V323	E219-F221 PolarHBondContact O-N 2.72Å; F221-S223 PolarHBondContact O-N 3.26Å; F221-S223 VanDerWaalsContact O-N 3.1Å; F221-S224 PolarHBondContact O-N 3Å; F221-S224 VanDerWaalsContact O-N 3.11Å; F221-S224 PolarHBondContact O-OG 3.19Å; F221-L226 HydrophobicContact CB-CB 4.24Å; F221-L226 PolarHBondContact N-O 3.48Å; F221-I228 HydrophobicContact CB-CB 4.48Å; F221-I228 HydrophobicContact CD2-CB 4.25Å; F221-I228 HydrophobicContact CD2-CD1 4.36Å; F221-V274 HydrophobicContact CE1-CG1 4.34Å; F221-V274 HydrophobicContact CE2-CG2 4.38Å; F221-V274 HydrophobicContact CZ-CB 4.38Å; F221-V274 HydrophobicContact CZ-CG1 4.29Å; F221-V274 HydrophobicContact CZ-CG2 4.35Å; F221-V279 HydrophobicContact CE2-CG2 4.06Å; F221-V323 HydrophobicContact CB-CG1 4.24Å; F221-V323 HydrophobicContact CD1-CG1 4.01Å; F221-V323 HydrophobicContact CD2-CG1 4.09Å; F221-V323 HydrophobicContact CE1-CG1 4.41Å; F221-V323 HydrophobicContact CE2-CG1 4.48Å; F221-V323 HydrophobicContact CG-CG1 3.84Å
222	E	80.5	Confident	91.1	Very high	121 Å²	121	52.7 Å²	52.7	57%	0.565	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	45.1	166.8	-60.2	-171.7	168.5	0	0	117.1	S224	E222-S224 PolarHBondContact O-N 3.17Å
223	S	77.5	Confident	91.2	Very high	131 Å²	131	50.4 Å²	50.4	92%	0.916	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	11.2	-179.9	-64.4	0	0	0	0	115.5	F221 G225	F221-S223 PolarHBondContact O-N 3.26Å; F221-S223 VanDerWaalsContact O-N 3.1Å; S223-G225 VanDerWaalsContact C-N 3.3Å; S223-G225 PolarHBondContact O-N 3.44Å
224	S	80.4	Confident	91.2	Very high	65 Å²	65	47.1 Å²	47.1	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.3	-174.8	64.6	0	0	0	0	113.3	F221 E222 L226	F221-S224 PolarHBondContact O-N 3Å; F221-S224 VanDerWaalsContact O-N 3.11Å; F221-S224 PolarHBondContact O-OG 3.19Å; E222-S224 PolarHBondContact O-N 3.17Å; S224-L226 PolarHBondContact O-N 3.11Å; S224-L226 VanDerWaalsContact OG-CB 3.3Å; S224-L226 WeakPolarHBondContact OG-CB 2.96Å; S224-L226 VanDerWaalsContact OG-CG 3.28Å; S224-L226 WeakPolarHBondContact OG-CG 3.36Å; S224-L226 PolarHBondContact OG-N 3.05Å
225	G	86.2	Confident	90.9	Very high	43 Å²	43	50 Å²	50	44%	0.443	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-4.8	-168.8	0	0	0	0	0	113.9	S223	S223-G225 VanDerWaalsContact C-N 3.3Å; S223-G225 PolarHBondContact O-N 3.44Å
226	L	93.5	Very high	90.4	Very high	39 Å²	39	47.5 Å²	47.5	20%	0.204	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	158.4	175.4	-55.3	176.6	0	0	0	111.5	T220 F221 S224 V323 V324 N325	T220-L226 WeakPolarHBondContact CA-O 3.39Å; F221-L226 HydrophobicContact CB-CB 4.24Å; F221-L226 PolarHBondContact N-O 3.48Å; S224-L226 PolarHBondContact O-N 3.11Å; S224-L226 VanDerWaalsContact OG-CB 3.3Å; S224-L226 WeakPolarHBondContact OG-CB 2.96Å; S224-L226 VanDerWaalsContact OG-CG 3.28Å; S224-L226 WeakPolarHBondContact OG-CG 3.36Å; S224-L226 PolarHBondContact OG-N 3.05Å; L226-V323 HydrophobicContact CB-CB 4.38Å; L226-V323 HydrophobicContact CD1-CG2 4.12Å; L226-V324 WeakPolarHBondContact CA-O 3.49Å; L226-N325 HydrophobicContact CD2-CB 3.53Å
227	F	94.4	Very high	89.7	Confident	36 Å²	36	58.5 Å²	58.5	16%	0.158	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.9	174.3	-62.2	-88.8	0	0	0	111.1	M218 E219 I263 Y265 V323 V324 C326	M218-F227 HydrophobicContact CB-CB 4.23Å; M218-F227 HydrophobicContact CB-CD1 4.31Å; M218-F227 HydrophobicContact CE-CB 3.55Å; E219-F227 CarbonylContact O-C 3.57Å; E219-F227 WeakPolarHBondContact O-CA 3.14Å; F227-I263 HydrophobicContact CD1-CD1 3.82Å; F227-I263 HydrophobicContact CD2-CD1 3.96Å; F227-I263 HydrophobicContact CE1-CD1 3.81Å; F227-I263 HydrophobicContact CE2-CD1 3.95Å; F227-I263 HydrophobicContact CG-CD1 3.9Å; F227-I263 HydrophobicContact CZ-CD1 3.88Å; F227-Y265 HydrophobicContact CE2-CE2 4.39Å; F227-Y265 HydrophobicContact CZ-CE2 4.33Å; F227-V323 CarbonylContact O-C 3.59Å; F227-V323 VanDerWaalsContact O-CA 3.24Å; F227-V323 WeakPolarHBondContact O-CA 3.2Å; F227-V324 HydrophobicContact CB-CG2 4.14Å; F227-V324 PolarHBondContact N-O 2.86Å; F227-V324 PolarHBondContact O-N 3.25Å; F227-C326 HydrophobicContact CD2-CB 4.33Å; F227-C326 HydrophobicContact CE2-CB 4.26Å
228	I	93.2	Very high	89.3	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.6	170.6	-168.7	164.9	0	0	0	110.5	E219 F221 K230 V279 F282 I322 V323	E219-I228 HydrophobicContact CB-CG2 3.91Å; E219-I228 PolarHBondContact N-O 2.92Å; E219-I228 VanDerWaalsContact N-O 3.11Å; E219-I228 WeakPolarHBondContact O-CG2 3.39Å; E219-I228 PolarHBondContact O-N 2.85Å; F221-I228 HydrophobicContact CB-CB 4.48Å; F221-I228 HydrophobicContact CD2-CB 4.25Å; F221-I228 HydrophobicContact CD2-CD1 4.36Å; I228-K230 HydrophobicContact CG2-CG 4.32Å; I228-V279 HydrophobicContact CD1-CB 4.5Å; I228-V279 HydrophobicContact CD1-CG1 4.19Å; I228-V279 HydrophobicContact CD1-CG2 3.73Å; I228-F282 HydrophobicContact CD1-CE2 3.76Å; I228-F282 HydrophobicContact CD1-CZ 3.65Å; I228-F282 HydrophobicContact CG1-CZ 4.22Å; I228-I322 WeakPolarHBondContact CA-O 3.41Å; I228-V323 HydrophobicContact CB-CG1 4.09Å; I228-V323 HydrophobicContact CG1-CG1 4.3Å
229	V	94.6	Very high	88.8	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.8	179.7	-165.3	0	0	0	0	110.1	M218 I246 F251 A259 L301 I322 V324	M218-V229 HydrophobicContact CE-CG2 3.78Å; M218-V229 HydrophobicContact SD-CB 4.23Å; M218-V229 HydrophobicContact SD-CG1 3.98Å; M218-V229 HydrophobicContact SD-CG2 3.95Å; V229-I246 HydrophobicContact CB-CD1 4.48Å; V229-I246 HydrophobicContact CG1-CD1 3.43Å; V229-I246 VanDerWaalsContact CG1-CD1 3.43Å; V229-I246 HydrophobicContact CG1-CG1 4.08Å; V229-F251 HydrophobicContact CG2-CZ 4.28Å; V229-A259 HydrophobicContact CG2-CB 4.4Å; V229-L301 HydrophobicContact CG1-CD1 3.78Å; V229-I322 HydrophobicContact CG2-CB 4.3Å; V229-I322 HydrophobicContact CG2-CG2 4.06Å; V229-I322 PolarHBondContact N-O 2.8Å; V229-V324 HydrophobicContact CG2-CG1 4.08Å
230	K	93	Very high	88.7	Confident	13 Å²	13	76.1 Å²	76.1	6%	0.057	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	150.9	178.4	-49.9	-173.1	-67	-172.8	0	111	S216 E217 E219 I228 F282	S216-K230 WeakPolarHBondContact CA-O 3.45Å; E217-K230 HydrophobicContact CB-CB 4.42Å; E217-K230 PolarHBondContact N-O 3.02Å; E217-K230 WeakPolarHBondContact O-CA 3.21Å; E217-K230 WeakPolarHBondContact O-CB 3.2Å; E217-K230 PolarHBondContact O-N 3.02Å; E217-K230 WeakPolarHBondContact OE1-CE 3.47Å; E217-K230 IonicContact OE1-NZ 2.95Å; E217-K230 PolarHBondContact OE1-NZ 3.11Å; E219-K230 HydrophobicContact CB-CD 4.12Å; E219-K230 WeakPolarHBondContact OE2-CD 3.47Å; E219-K230 WeakPolarHBondContact OE2-CE 3.19Å; E219-K230 IonicContact OE2-NZ 2.76Å; E219-K230 PolarHBondContact OE2-NZ 3.19Å; I228-K230 HydrophobicContact CG2-CG 4.32Å; K230-F282 HydrophobicContact CB-CE1 4.12Å; K230-F282 HydrophobicContact CD-CE1 3.95Å; K230-F282 HydrophobicContact CG-CE1 3.66Å; K230-F282 HydrophobicContact CG-CZ 4.07Å
231	A	95	Very high	88.7	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.7	171.1	0	0	0	0	0	110.5	F214 I243 G244 I246 V289	F214-A231 HydrophobicContact CD2-CB 4.38Å; A231-I243 WeakPolarHBondContact O-CA 3.31Å; A231-G244 PolarHBondContact N-O 2.89Å; A231-G244 PolarHBondContact O-N 2.79Å; A231-I246 HydrophobicContact CB-CG1 4.18Å; A231-V289 HydrophobicContact CB-CB 4.15Å; A231-V289 HydrophobicContact CB-CG2 3.58Å
232	R	94.5	Very high	88.9	Confident	91 Å²	91	73.6 Å²	73.6	34%	0.343	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121	172	-53.7	-174.3	72.9	-164.7	6.1	110	F214 W215 E217 M241 A242 I243	F214-R232 CarbonylContact C-O 3.59Å; F214-R232 VanDerWaalsContact CA-O 3.23Å; F214-R232 WeakPolarHBondContact CA-O 3.25Å; F214-R232 WeakPolarHBondContact CB-O 3.42Å; W215-R232 PolarHBondContact N-O 2.91Å; W215-R232 PolarHBondContact O-N 3.45Å; E217-R232 WeakPolarHBondContact OE2-CD 3.47Å; R232-M241 HydrophobicContact CB-CE 3.49Å; R232-M241 VanDerWaalsContact CB-CE 3.49Å; R232-A242 CarbonylContact C-O 3.57Å; R232-A242 WeakPolarHBondContact CA-O 3.44Å; R232-I243 HydrophobicContact CG-CG1 4.35Å
233	V	94.9	Very high	89.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.5	-176.7	-173.5	0	0	0	0	110.2	F214 Q235 A242 L288 V289 T308 P310	F214-V233 HydrophobicContact CB-CG2 3.91Å; V233-Q235 PolarHBondContact O-N 3.22Å; V233-A242 PolarHBondContact N-O 2.65Å; V233-A242 WeakPolarHBondContact O-CB 3.45Å; V233-A242 PolarHBondContact O-N 3.4Å; V233-L288 HydrophobicContact CB-CD1 4.43Å; V233-L288 HydrophobicContact CG2-CB 3.91Å; V233-L288 HydrophobicContact CG2-CD1 4.07Å; V233-V289 HydrophobicContact CG2-CG2 4.12Å; V233-T308 HydrophobicContact CB-CG2 4.27Å; V233-T308 HydrophobicContact CG1-CG2 3.55Å; V233-T308 HydrophobicContact CG2-CG2 3.64Å; V233-P310 HydrophobicContact CB-CB 4.47Å; V233-P310 HydrophobicContact CG1-CB 3.94Å; V233-P310 HydrophobicContact CG1-CG 4.36Å
234	P	93.9	Very high	90.2	Very high	35 Å²	35	63.2 Å²	63.2	23%	0.227	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.4	172.1	-19.8	32.2	0	0	0	111.6	I213 W215 M241	I213-P234 HydrophobicContact CD1-CG 4.15Å; I213-P234 HydrophobicContact CG1-CG 3.93Å; I213-P234 WeakPolarHBondContact O-CD 3.38Å; W215-P234 HydrophobicContact CH2-CG 4.05Å; W215-P234 HydrophobicContact CZ3-CG 3.64Å; P234-M241 HydrophobicContact CG-SD 4.32Å
235	Q	89.6	Confident	90.7	Very high	70 Å²	70	60.1 Å²	60.1	33%	0.327	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.2	178.1	-168.8	179.4	41.5	0	0	111.8	V233 R240 A242 P310	V233-Q235 PolarHBondContact O-N 3.22Å; Q235-R240 PolarHBondContact N-O 2.97Å; Q235-R240 PolarHBondContact O-N 2.77Å; Q235-R240 VanDerWaalsContact O-N 3.17Å; Q235-A242 HydrophobicContact CB-CB 4.25Å; Q235-P310 HydrophobicContact CB-CB 3.88Å; Q235-P310 HydrophobicContact CG-CB 3.83Å; Q235-P310 HydrophobicContact CG-CG 4.29Å
236	G	84.9	Confident	91.1	Very high	65 Å²	65	58.1 Å²	58.1	67%	0.67	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-177.5	174.3	0	0	0	0	0	114.9	N238 R239	G236-N238 VanDerWaalsContact C-N 3.33Å; G236-N238 PolarHBondContact O-N 3.13Å; G236-R239 PolarHBondContact O-N 3.2Å
237	R	81.9	Confident	91	Very high	248 Å²	248	56.3 Å²	56.3	94%	0.936	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-33	-177.8	-69.9	-174.2	-178.9	176.5	0.8	113.3	R239	R237-R239 PolarHBondContact O-N 3.46Å
238	N	84.1	Confident	90.8	Very high	137 Å²	137	55.9 Å²	55.9	73%	0.733	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	2.8	-179.5	-67.4	-2.5	0	0	0	113.2	G236 R240	G236-N238 VanDerWaalsContact C-N 3.33Å; G236-N238 PolarHBondContact O-N 3.13Å; N238-R240 HydrophobicContact CB-CG 4.5Å; N238-R240 PolarHBondContact O-N 2.61Å
239	R	82	Confident	90.4	Very high	199 Å²	199	56.9 Å²	56.9	75%	0.751	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	40.7	-177	-61.8	-174.6	172.1	-169.2	-2.6	113	G236 R237	G236-R239 PolarHBondContact O-N 3.2Å; R237-R239 PolarHBondContact O-N 3.46Å
240	R	89.2	Confident	89.6	Confident	189 Å²	189	59.2 Å²	59.2	71%	0.713	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.6	170.4	-74	-173.4	177.9	178.3	-0.4	107.8	Q235 N238 A242	Q235-R240 PolarHBondContact N-O 2.97Å; Q235-R240 PolarHBondContact O-N 2.77Å; Q235-R240 VanDerWaalsContact O-N 3.17Å; N238-R240 HydrophobicContact CB-CG 4.5Å; N238-R240 PolarHBondContact O-N 2.61Å; R240-A242 PolarHBondContact O-N 3.14Å
241	M	90.9	Very high	89.4	Confident	59 Å²	59	59.1 Å²	59.1	29%	0.291	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.1	-177.7	-61.9	-60.7	-67.7	0	0	109.4	W215 R232 P234	W215-M241 HydrophobicContact CE3-CE 3.57Å; W215-M241 HydrophobicContact CZ3-CE 3.55Å; W215-M241 HydrophobicContact CZ3-SD 4.28Å; R232-M241 HydrophobicContact CB-CE 3.49Å; R232-M241 VanDerWaalsContact CB-CE 3.49Å; P234-M241 HydrophobicContact CG-SD 4.32Å
242	A	92.3	Very high	88.9	Confident	2 Å²	2	60.2 Å²	60.2	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.6	163	0	0	0	0	0	108.3	R232 V233 Q235 R240 I284 L288	R232-A242 CarbonylContact C-O 3.57Å; R232-A242 WeakPolarHBondContact CA-O 3.44Å; V233-A242 PolarHBondContact N-O 2.65Å; V233-A242 WeakPolarHBondContact O-CB 3.45Å; V233-A242 PolarHBondContact O-N 3.4Å; Q235-A242 HydrophobicContact CB-CB 4.25Å; R240-A242 PolarHBondContact O-N 3.14Å; A242-I284 HydrophobicContact CB-CD1 3.59Å; A242-L288 HydrophobicContact CB-CD1 3.95Å
243	I	92.3	Very high	88.5	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.169	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.3	175.9	-49.6	177.8	0	0	0	107.4	A231 R232 F282 T283 I284	A231-I243 WeakPolarHBondContact O-CA 3.31Å; R232-I243 HydrophobicContact CG-CG1 4.35Å; I243-F282 HydrophobicContact CG2-CD1 4.18Å; I243-T283 HydrophobicContact CB-CG2 4.46Å; I243-T283 PolarHBondContact N-OG1 2.02Å; I243-T283 PolarHBondContact O-N 2.97Å; I243-T283 PolarHBondContact O-OG1 3.01Å; I243-I284 PolarHBondContact O-N 3.04Å
244	G	92.6	Very high	88.2	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-156.2	178.5	0	0	0	0	0	110.4	A231 F282	A231-G244 PolarHBondContact N-O 2.89Å; A231-G244 PolarHBondContact O-N 2.79Å; G244-F282 WeakPolarHBondContact O-CE1 3.25Å
245	V	92	Very high	88.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	165.6	-174	-63.2	0	0	0	0	113.7	L276 F282 P287 L288	V245-L276 HydrophobicContact CB-CD2 4.31Å; V245-L276 HydrophobicContact CG1-CD1 4.4Å; V245-L276 HydrophobicContact CG1-CD2 3.44Å; V245-L276 VanDerWaalsContact CG1-CD2 3.44Å; V245-L276 HydrophobicContact CG2-CD1 3.81Å; V245-L276 HydrophobicContact CG2-CD2 4.16Å; V245-F282 HydrophobicContact CG1-CD1 4.26Å; V245-F282 HydrophobicContact CG1-CD2 4.25Å; V245-F282 HydrophobicContact CG1-CE1 3.62Å; V245-F282 HydrophobicContact CG1-CE2 3.58Å; V245-F282 HydrophobicContact CG1-CZ 3.27Å; V245-P287 HydrophobicContact CG2-CB 4.45Å; V245-P287 HydrophobicContact CG2-CG 4.22Å; V245-P287 CarbonylContact O-C 3.55Å; V245-P287 WeakPolarHBondContact O-CA 3.28Å; V245-L288 PolarHBondContact O-N 3.03Å
246	I	94.2	Very high	88.3	Confident	1 Å²	1	51 Å²	51	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	140.2	167.1	-58	-168.9	0	0	0	108.7	V229 A231 V248 F251 V289 I291 L301 I322	V229-I246 HydrophobicContact CB-CD1 4.48Å; V229-I246 HydrophobicContact CG1-CD1 3.43Å; V229-I246 VanDerWaalsContact CG1-CD1 3.43Å; V229-I246 HydrophobicContact CG1-CG1 4.08Å; A231-I246 HydrophobicContact CB-CG1 4.18Å; I246-V248 PolarHBondContact O-N 2.83Å; I246-F251 HydrophobicContact CG2-CD2 4.29Å; I246-V289 CarbonylContact C-O 3.55Å; I246-V289 WeakPolarHBondContact CA-O 3.45Å; I246-V289 HydrophobicContact CG1-CB 4.41Å; I246-I291 HydrophobicContact CD1-CD1 4.16Å; I246-I291 HydrophobicContact CG2-CD1 4.04Å; I246-I291 HydrophobicContact CG2-CG1 3.87Å; I246-L301 HydrophobicContact CD1-CD1 3.52Å; I246-I322 HydrophobicContact CB-CD1 4.09Å; I246-I322 HydrophobicContact CG2-CD1 4.03Å
247	C	91.9	Very high	88.7	Confident	1 Å²	1	48 Å²	48	1%	0.007	21%	0.205	C	C	.	.			trans	-62.2	130.9	174.6	175.7	0	0	0	0	110.3	D249 P287 V289 R290 V313 C315	C247-D249 PolarHBondContact O-N 2.9Å; C247-D249 WeakPolarHBondContact SG-CB 3.39Å; C247-D249 PolarHBondContact SG-N 3.2Å; C247-D249 VanDerWaalsContact SG-N 3.39Å; C247-P287 HydrophobicContact CB-CB 3.82Å; C247-P287 HydrophobicContact CB-CG 4.37Å; C247-V289 WeakPolarHBondContact CB-O 3.36Å; C247-V289 PolarHBondContact N-O 3.07Å; C247-R290 HydrophobicContact CB-CB 4.12Å; C247-R290 HydrophobicContact CB-CG 4.34Å; C247-V313 HydrophobicContact CB-CG2 4.31Å; C247-C315 WeakPolarHBondContact CA-SG 3.28Å; C247-C315 HydrophobicContact CB-CB 3.86Å; C247-C315 WeakPolarHBondContact CB-SG 3.42Å; C247-C315 WeakPolarHBondContact SG-CA 3.48Å; C247-C315 WeakPolarHBondContact SG-CB 3.44Å; C247-C315 CovalentContact SG-SG 2.03Å; C247-C315 PolarHBondContact SG-SG 3.44Å
248	V	89.9	Confident	89.3	Confident	28 Å²	28	36.2 Å²	36.2	17%	0.17	16%	0.161	C	C	.	.	S	Bend	trans	-64.4	-24.2	177	-65.2	0	0	0	0	113	I246 Q250 F251 N317 L320 I322	I246-V248 PolarHBondContact O-N 2.83Å; V248-Q250 PolarHBondContact O-N 3.46Å; V248-F251 PolarHBondContact O-N 3.43Å; V248-N317 HydrophobicContact CG2-CB 4.43Å; V248-L320 HydrophobicContact CG1-CB 3.67Å; V248-L320 HydrophobicContact CG2-CB 4.46Å; V248-I322 HydrophobicContact CG1-CD1 4.5Å; V248-I322 HydrophobicContact CG1-CG1 3.84Å
249	D	84.4	Confident	89.8	Confident	24 Å²	24	29.7 Å²	29.7	13%	0.128	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	121.6	177.4	-63.3	7.9	0	0	0	108.5	C247 F251 R290 S316	C247-D249 PolarHBondContact O-N 2.9Å; C247-D249 WeakPolarHBondContact SG-CB 3.39Å; C247-D249 PolarHBondContact SG-N 3.2Å; C247-D249 VanDerWaalsContact SG-N 3.39Å; D249-F251 PolarHBondContact O-N 3.19Å; D249-F251 VanDerWaalsContact O-N 3.14Å; D249-R290 IonicContact OD2-CZ 3.31Å; D249-R290 VanDerWaalsContact OD2-CZ 3.31Å; D249-R290 IonicContact OD2-NH1 2.77Å; D249-R290 PolarHBondContact OD2-NH1 2.96Å; D249-R290 IonicContact OD2-NH2 2.71Å; D249-R290 PolarHBondContact OD2-NH2 2.7Å; D249-S316 WeakPolarHBondContact OD1-CB 3.38Å; D249-S316 PolarHBondContact OD1-N 2.99Å; D249-S316 PolarHBondContact OD1-OG 2.82Å; D249-S316 PolarHBondContact OD2-N 2.68Å; D249-S316 VanDerWaalsContact OD2-N 3.09Å
250	Q	78.5	Confident	90.5	Very high	48 Å²	48	20.2 Å²	20.2	22%	0.224	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	10	165.2	-52.5	-67.5	-18.2	0	0	114.5	W189 V248 R252	W189-Q250 HydrophobicContact CE3-CG 4.14Å; W189-Q250 HydrophobicContact CH2-CB 3.55Å; W189-Q250 HydrophobicContact CH2-CG 3.87Å; W189-Q250 HydrophobicContact CZ3-CB 3.37Å; W189-Q250 HydrophobicContact CZ3-CG 3.22Å; V248-Q250 PolarHBondContact O-N 3.46Å; Q250-R252 PolarHBondContact O-N 3.1Å
251	F	88	Confident	90.8	Very high	12 Å²	12	14.1 Å²	14.1	5%	0.053	7%	0.067	C	C	.	.			trans	-78.3	115.3	165.9	-167.6	-78.7	0	0	0	109	V229 I246 V248 D249 E255 A256 A259 Y271 I291 I322 V324	V229-F251 HydrophobicContact CG2-CZ 4.28Å; I246-F251 HydrophobicContact CG2-CD2 4.29Å; V248-F251 PolarHBondContact O-N 3.43Å; D249-F251 PolarHBondContact O-N 3.19Å; D249-F251 VanDerWaalsContact O-N 3.14Å; F251-E255 HydrophobicContact CD1-CB 4.23Å; F251-E255 HydrophobicContact CD2-CB 3.61Å; F251-E255 HydrophobicContact CD2-CG 4.26Å; F251-E255 HydrophobicContact CE1-CB 4.2Å; F251-E255 HydrophobicContact CE2-CB 3.59Å; F251-E255 HydrophobicContact CG-CB 3.96Å; F251-E255 HydrophobicContact CZ-CB 3.9Å; F251-A256 HydrophobicContact CE1-CB 3.79Å; F251-A256 HydrophobicContact CZ-CB 4.32Å; F251-A259 HydrophobicContact CZ-CB 4.28Å; F251-Y271 HydrophobicContact CD1-CD2 4.22Å; F251-Y271 WeakPolarHBondContact O-CE2 3.49Å; F251-I291 HydrophobicContact CD2-CD1 3.85Å; F251-I291 HydrophobicContact CE2-CD1 3.96Å; F251-I322 HydrophobicContact CB-CD1 3.6Å; F251-I322 HydrophobicContact CB-CG1 4.45Å; F251-I322 HydrophobicContact CD1-CD1 4.03Å; F251-I322 HydrophobicContact CD1-CG1 4.43Å; F251-I322 HydrophobicContact CD1-CG2 3.7Å; F251-I322 HydrophobicContact CD2-CD1 3.45Å; F251-I322 VanDerWaalsContact CD2-CD1 3.45Å; F251-I322 HydrophobicContact CE1-CG2 3.51Å; F251-I322 HydrophobicContact CE2-CD1 4.07Å; F251-I322 HydrophobicContact CE2-CG2 4.41Å; F251-I322 HydrophobicContact CG-CD1 3.41Å; F251-I322 VanDerWaalsContact CG-CD1 3.41Å; F251-I322 HydrophobicContact CG-CG1 4.25Å; F251-I322 HydrophobicContact CG-CG2 4.24Å; F251-I322 HydrophobicContact CZ-CG2 3.89Å; F251-V324 HydrophobicContact CE1-CG1 4.04Å; F251-V324 HydrophobicContact CZ-CG1 4.14Å
252	R	85.7	Confident	91	Very high	23 Å²	23	13 Å²	13	9%	0.087	7%	0.065	C	C	.	.			trans	-128.8	-163.6	-174.5	-62.7	172.5	-177.4	-155.7	10.5	110.3	Q250 A254 E255 A256 D510 F511	Q250-R252 PolarHBondContact O-N 3.1Å; R252-A254 VanDerWaalsContact C-N 3.3Å; R252-A254 PolarHBondContact O-N 3.26Å; R252-E255 WeakPolarHBondContact CA-OE2 3.43Å; R252-E255 PolarHBondContact N-OE2 2.71Å; R252-E255 PolarHBondContact O-N 2.88Å; R252-A256 WeakPolarHBondContact O-CB 3.28Å; R252-A256 PolarHBondContact O-N 2.85Å; R252-D510 VanDerWaalsContact CD-O 3.29Å; R252-D510 WeakPolarHBondContact CD-O 3.21Å; R252-D510 VanDerWaalsContact NH1-CA 3.31Å; R252-D510 PolarHBondContact NH1-O 2.6Å; R252-D510 IonicContact NH1-OD1 3.66Å; R252-F511 HydrophobicContact CB-CB 4.16Å
253	G	85.6	Confident	91.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.5	-34.9	179.9	0	0	0	0	0	114	A256 N257 F511 Y518	G253-A256 PolarHBondContact O-N 3.04Å; G253-N257 PolarHBondContact O-N 2.93Å; G253-F511 PolarHBondContact N-O 2.83Å; G253-Y518 VanDerWaalsContact C-OH 3.26Å; G253-Y518 WeakPolarHBondContact CA-OH 3.46Å
254	A	88.3	Confident	91.2	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-47.4	178.4	0	0	0	0	0	112	R252 A256 N257 V258 C294 Y518	R252-A254 VanDerWaalsContact C-N 3.3Å; R252-A254 PolarHBondContact O-N 3.26Å; A254-A256 VanDerWaalsContact C-N 3.34Å; A254-N257 PolarHBondContact O-N 2.78Å; A254-V258 WeakPolarHBondContact O-CG2 3.13Å; A254-V258 PolarHBondContact O-N 2.83Å; A254-V258 VanDerWaalsContact O-N 3.15Å; A254-C294 HydrophobicContact CB-CB 4.49Å; A254-Y518 HydrophobicContact CB-CD2 4.07Å; A254-Y518 HydrophobicContact CB-CE2 3.7Å; A254-Y518 PolarHBondContact N-OH 3.44Å
255	E	92.3	Very high	91.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-39.5	175.6	-65.9	67.4	-146.5	0	0	111.2	F251 R252 N257 V258 A259 I291 H293 C294 L301	F251-E255 HydrophobicContact CD1-CB 4.23Å; F251-E255 HydrophobicContact CD2-CB 3.61Å; F251-E255 HydrophobicContact CD2-CG 4.26Å; F251-E255 HydrophobicContact CE1-CB 4.2Å; F251-E255 HydrophobicContact CE2-CB 3.59Å; F251-E255 HydrophobicContact CG-CB 3.96Å; F251-E255 HydrophobicContact CZ-CB 3.9Å; R252-E255 WeakPolarHBondContact CA-OE2 3.43Å; R252-E255 PolarHBondContact N-OE2 2.71Å; R252-E255 PolarHBondContact O-N 2.88Å; E255-N257 PolarHBondContact O-N 3.26Å; E255-V258 PolarHBondContact O-N 2.96Å; E255-A259 WeakPolarHBondContact O-CB 3.44Å; E255-A259 PolarHBondContact O-N 2.04Å; E255-I291 HydrophobicContact CB-CD1 4.18Å; E255-I291 HydrophobicContact CG-CB 4.22Å; E255-I291 HydrophobicContact CG-CD1 3.96Å; E255-I291 HydrophobicContact CG-CG2 3.71Å; E255-H293 WeakPolarHBondContact OE1-CA 3.48Å; E255-C294 HydrophobicContact CG-CB 4.32Å; E255-C294 PolarHBondContact OE1-N 2.95Å; E255-L301 HydrophobicContact CB-CD2 4.38Å; E255-L301 WeakPolarHBondContact O-CD2 3.37Å
256	A	93.4	Very high	91.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-44.5	176.5	0	0	0	0	0	111.8	F251 R252 G253 A254 V258 A259 C260 A268 Y271 V324	F251-A256 HydrophobicContact CE1-CB 3.79Å; F251-A256 HydrophobicContact CZ-CB 4.32Å; R252-A256 WeakPolarHBondContact O-CB 3.28Å; R252-A256 PolarHBondContact O-N 2.85Å; G253-A256 PolarHBondContact O-N 3.04Å; A254-A256 VanDerWaalsContact C-N 3.34Å; A256-V258 PolarHBondContact O-N 2.78Å; A256-A259 WeakPolarHBondContact O-CB 3.27Å; A256-A259 PolarHBondContact O-N 3.44Å; A256-C260 PolarHBondContact O-N 3.34Å; A256-A268 VanDerWaalsContact C-CB 3.48Å; A256-A268 HydrophobicContact CB-CB 3.47Å; A256-A268 VanDerWaalsContact CB-CB 3.47Å; A256-A268 WeakPolarHBondContact O-CB 3.13Å; A256-Y271 HydrophobicContact CB-CD1 4.05Å; A256-Y271 HydrophobicContact CB-CG 4.24Å; A256-V324 HydrophobicContact CB-CG1 4.07Å
257	N	92.9	Very high	91.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-59	-47.2	175.1	-78.6	-14.3	0	0	0	112	G253 A254 E255 A259 C260 R261 F267 A268 L330 E515	G253-N257 PolarHBondContact O-N 2.93Å; A254-N257 PolarHBondContact O-N 2.78Å; E255-N257 PolarHBondContact O-N 3.26Å; N257-A259 VanDerWaalsContact C-N 3.31Å; N257-A259 PolarHBondContact O-N 2.99Å; N257-C260 PolarHBondContact O-N 3.16Å; N257-R261 WeakPolarHBondContact O-CB 3.38Å; N257-R261 PolarHBondContact O-N 2.95Å; N257-F267 WeakPolarHBondContact OD1-CA 3.02Å; N257-A268 PolarHBondContact OD1-N 3.07Å; N257-L330 WeakPolarHBondContact OD1-CD1 3.38Å; N257-E515 PolarHBondContact ND2-O 3.08Å
258	V	94.4	Very high	91.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-38.4	177.9	175.6	0	0	0	0	111.1	A254 E255 A256 R261 S262 C294 E298 K300 L301	A254-V258 WeakPolarHBondContact O-CG2 3.13Å; A254-V258 PolarHBondContact O-N 2.83Å; A254-V258 VanDerWaalsContact O-N 3.15Å; E255-V258 PolarHBondContact O-N 2.96Å; A256-V258 PolarHBondContact O-N 2.78Å; V258-R261 PolarHBondContact O-N 3Å; V258-S262 PolarHBondContact O-N 3.33Å; V258-C294 HydrophobicContact CG2-CB 4.03Å; V258-E298 HydrophobicContact CG1-CB 4Å; V258-E298 HydrophobicContact CG2-CB 3.93Å; V258-K300 WeakPolarHBondContact CG1-O 3.43Å; V258-L301 HydrophobicContact CB-CD2 3.86Å; V258-L301 HydrophobicContact CG1-CD2 3.71Å; V258-L301 HydrophobicContact CG1-CG 4.21Å
259	A	96.1	Very high	91.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-47.8	175.8	0	0	0	0	0	111.6	M218 V229 F251 E255 A256 N257 R261 S262 L301	M218-A259 HydrophobicContact CE-CB 4.19Å; M218-A259 HydrophobicContact SD-CB 4.02Å; V229-A259 HydrophobicContact CG2-CB 4.4Å; F251-A259 HydrophobicContact CZ-CB 4.28Å; E255-A259 WeakPolarHBondContact O-CB 3.44Å; E255-A259 PolarHBondContact O-N 2.04Å; A256-A259 WeakPolarHBondContact O-CB 3.27Å; A256-A259 PolarHBondContact O-N 3.44Å; N257-A259 VanDerWaalsContact C-N 3.31Å; N257-A259 PolarHBondContact O-N 2.99Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 3.29Å; A259-S262 WeakPolarHBondContact O-CB 3.47Å; A259-S262 PolarHBondContact O-N 2.73Å; A259-S262 PolarHBondContact O-OG 2.87Å; A259-L301 HydrophobicContact CB-CD1 3.99Å; A259-L301 HydrophobicContact CB-CD2 4.23Å; A259-L301 HydrophobicContact CB-CG 4.34Å
260	C	95.6	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-34.7	176.4	-75.5	0	0	0	0	112.8	A256 N257 S262 I263 Y265 F267 A268 C326	A256-C260 PolarHBondContact O-N 3.34Å; N257-C260 PolarHBondContact O-N 3.16Å; C260-S262 PolarHBondContact O-N 3.47Å; C260-I263 CarbonylContact O-C 3.59Å; C260-I263 WeakPolarHBondContact O-CG1 3.38Å; C260-I263 PolarHBondContact O-N 3.34Å; C260-Y265 CarbonylContact C-O 3.48Å; C260-Y265 PolarHBondContact O-N 3.31Å; C260-Y265 VanDerWaalsContact O-N 3.15Å; C260-Y265 VanDerWaalsContact O-O 3.05Å; C260-F267 WeakPolarHBondContact CB-O 3.2Å; C260-A268 HydrophobicContact CB-CB 4.46Å; C260-C326 VanDerWaalsContact CA-SG 3.53Å; C260-C326 HydrophobicContact CB-CB 3.8Å; C260-C326 WeakPolarHBondContact CB-SG 3.47Å; C260-C326 WeakPolarHBondContact SG-CA 3.28Å; C260-C326 WeakPolarHBondContact SG-CB 3.43Å; C260-C326 CovalentContact SG-SG 2.04Å; C260-C326 PolarHBondContact SG-SG 2.89Å
261	R	94.8	Very high	92	Very high	61 Å²	61	30.9 Å²	30.9	23%	0.23	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-31.9	176.9	-161.9	171.4	-61.9	131.1	1.7	113.1	N257 V258 A259 I263 N264 Y265 P266 G296 E298	N257-R261 WeakPolarHBondContact O-CB 3.38Å; N257-R261 PolarHBondContact O-N 2.95Å; V258-R261 PolarHBondContact O-N 3Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 3.29Å; R261-I263 PolarHBondContact O-N 2.93Å; R261-I263 VanDerWaalsContact O-N 3.13Å; R261-N264 PolarHBondContact O-N 3.19Å; R261-N264 VanDerWaalsContact O-N 3.14Å; R261-Y265 WeakPolarHBondContact CA-O 2.74Å; R261-Y265 PolarHBondContact N-O 3.27Å; R261-P266 PolarHBondContact NH2-O 2.86Å; R261-G296 PolarHBondContact NH1-O 2.86Å; R261-G296 PolarHBondContact NH2-O 2.97Å; R261-E298 WeakPolarHBondContact CD-O 3.43Å; R261-E298 PolarHBondContact NH1-O 3.44Å
262	S	95.6	Very high	92.1	Very high	35 Å²	35	33.1 Å²	33.1	25%	0.245	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.7	175.6	79.9	0	0	0	0	113.9	V258 A259 C260	V258-S262 PolarHBondContact O-N 3.33Å; A259-S262 WeakPolarHBondContact O-CB 3.47Å; A259-S262 PolarHBondContact O-N 2.73Å; A259-S262 PolarHBondContact O-OG 2.87Å; C260-S262 PolarHBondContact O-N 3.47Å
263	I	94.5	Very high	92.2	Very high	48 Å²	48	35.2 Å²	35.2	25%	0.246	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	27.2	178.2	57.2	164.6	0	0	0	113.4	M218 F227 C260 R261 Y265	M218-I263 HydrophobicContact CB-CD1 3.94Å; M218-I263 HydrophobicContact CB-CG1 4.42Å; M218-I263 HydrophobicContact CB-CG2 3.69Å; M218-I263 HydrophobicContact CG-CD1 4.1Å; M218-I263 HydrophobicContact CG-CG1 4.15Å; M218-I263 HydrophobicContact CG-CG2 3.71Å; F227-I263 HydrophobicContact CD1-CD1 3.82Å; F227-I263 HydrophobicContact CD2-CD1 3.96Å; F227-I263 HydrophobicContact CE1-CD1 3.81Å; F227-I263 HydrophobicContact CE2-CD1 3.95Å; F227-I263 HydrophobicContact CG-CD1 3.9Å; F227-I263 HydrophobicContact CZ-CD1 3.88Å; C260-I263 CarbonylContact O-C 3.59Å; C260-I263 WeakPolarHBondContact O-CG1 3.38Å; C260-I263 PolarHBondContact O-N 3.34Å; R261-I263 PolarHBondContact O-N 2.93Å; R261-I263 VanDerWaalsContact O-N 3.13Å; I263-Y265 VanDerWaalsContact C-N 3.26Å; I263-Y265 HydrophobicContact CD1-CD2 4.04Å; I263-Y265 HydrophobicContact CD1-CE2 4.47Å; I263-Y265 HydrophobicContact CG1-CD2 4.09Å; I263-Y265 PolarHBondContact O-N 3.31Å
264	N	94	Very high	92.4	Very high	158 Å²	158	36 Å²	36	85%	0.845	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	18.1	176.4	-51.2	-63.8	0	0	0	115.7	R261	R261-N264 PolarHBondContact O-N 3.19Å; R261-N264 VanDerWaalsContact O-N 3.14Å
265	Y	94.5	Very high	92.3	Very high	94 Å²	94	39.6 Å²	39.6	37%	0.369	22%	0.223	S	C	.	.			trans	-94.2	131.1	162.9	-77.1	-89.4	0	0	0	108.9	F227 C260 R261 I263 F267 C326 T328	F227-Y265 HydrophobicContact CE2-CE2 4.39Å; F227-Y265 HydrophobicContact CZ-CE2 4.33Å; C260-Y265 CarbonylContact C-O 3.48Å; C260-Y265 PolarHBondContact O-N 3.31Å; C260-Y265 VanDerWaalsContact O-N 3.15Å; C260-Y265 VanDerWaalsContact O-O 3.05Å; R261-Y265 WeakPolarHBondContact CA-O 2.74Å; R261-Y265 PolarHBondContact N-O 3.27Å; I263-Y265 VanDerWaalsContact C-N 3.26Å; I263-Y265 HydrophobicContact CD1-CD2 4.04Å; I263-Y265 HydrophobicContact CD1-CE2 4.47Å; I263-Y265 HydrophobicContact CG1-CD2 4.09Å; I263-Y265 PolarHBondContact O-N 3.31Å; Y265-F267 PolarHBondContact O-N 3.28Å; Y265-C326 HydrophobicContact CD1-CB 3.83Å; Y265-C326 HydrophobicContact CD2-CB 3.81Å; Y265-C326 HydrophobicContact CE1-CB 4.45Å; Y265-C326 HydrophobicContact CE2-CB 4.43Å; Y265-C326 HydrophobicContact CG-CB 3.46Å; Y265-C326 VanDerWaalsContact CG-CB 3.46Å; Y265-T328 HydrophobicContact CD1-CG2 4.49Å
266	P	91.1	Very high	91.8	Very high	47 Å²	47	39.8 Å²	39.8	31%	0.305	22%	0.224	S	C	.	.	S	Bend	trans	-67	-28	-176.1	27.9	-35.6	0	0	0	112.9	R261 S327 T328	R261-P266 PolarHBondContact NH2-O 2.86Å; P266-S327 WeakPolarHBondContact CD-O 3.06Å; P266-T328 HydrophobicContact CG-CG2 4.46Å
267	F	92.8	Very high	90.9	Very high	29 Å²	29	48.1 Å²	48.1	13%	0.127	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.7	-166.8	-51.6	-53.7	0	0	0	113.9	N257 C260 Y265 C326 S327 L330 I516	N257-F267 WeakPolarHBondContact OD1-CA 3.02Å; C260-F267 WeakPolarHBondContact CB-O 3.2Å; Y265-F267 PolarHBondContact O-N 3.28Å; F267-C326 WeakPolarHBondContact O-CA 3.4Å; F267-S327 PolarHBondContact N-O 3.31Å; F267-S327 PolarHBondContact O-N 3.03Å; F267-S327 VanDerWaalsContact O-O 3.11Å; F267-L330 HydrophobicContact CB-CB 4.37Å; F267-L330 HydrophobicContact CB-CD1 3.47Å; F267-L330 VanDerWaalsContact CB-CD1 3.47Å; F267-L330 HydrophobicContact CB-CG 3.59Å; F267-L330 HydrophobicContact CD1-CD1 4.08Å; F267-L330 HydrophobicContact CD2-CB 4.21Å; F267-L330 HydrophobicContact CD2-CG 4.32Å; F267-L330 HydrophobicContact CG-CB 4.19Å; F267-L330 HydrophobicContact CG-CD1 3.82Å; F267-L330 HydrophobicContact CG-CG 3.94Å; F267-I516 HydrophobicContact CE1-CB 4.07Å; F267-I516 HydrophobicContact CE1-CG1 4.08Å; F267-I516 HydrophobicContact CE1-CG2 3.78Å; F267-I516 HydrophobicContact CE2-CD1 4.5Å; F267-I516 HydrophobicContact CE2-CG1 4.12Å; F267-I516 HydrophobicContact CZ-CB 4.18Å; F267-I516 HydrophobicContact CZ-CD1 4.35Å; F267-I516 HydrophobicContact CZ-CG1 3.84Å; F267-I516 HydrophobicContact CZ-CG2 3.76Å
268	A	92.9	Very high	89.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.9	167.1	0	0	0	0	0	110.3	A256 N257 C260 N325 P514	A256-A268 VanDerWaalsContact C-CB 3.48Å; A256-A268 HydrophobicContact CB-CB 3.47Å; A256-A268 VanDerWaalsContact CB-CB 3.47Å; A256-A268 WeakPolarHBondContact O-CB 3.13Å; N257-A268 PolarHBondContact OD1-N 3.07Å; C260-A268 HydrophobicContact CB-CB 4.46Å; A268-N325 CarbonylContact C-O 3.58Å; A268-N325 VanDerWaalsContact CA-O 3.25Å; A268-N325 WeakPolarHBondContact CA-O 3Å; A268-P514 WeakPolarHBondContact O-CB 3.34Å
269	S	90.4	Very high	88.2	Confident	39 Å²	39	54.1 Å²	54.1	27%	0.273	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-29.5	176.4	51.1	0	0	0	0	112.9	N325	S269-N325 PolarHBondContact N-O 2.88Å; S269-N325 PolarHBondContact OG-ND2 3.28Å; S269-N325 PolarHBondContact OG-O 2.98Å
270	S	88.9	Confident	86.9	Confident	53 Å²	53	64 Å²	64	37%	0.371	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.6	174.1	66.7	0	0	0	0	111.3	V324 N325	S270-V324 WeakPolarHBondContact O-CA 3.22Å; S270-N325 PolarHBondContact O-N 2.89Å; S270-N325 WeakPolarHBondContact OG-CB 3.42Å
271	Y	91	Very high	85.7	Confident	45 Å²	45	67 Å²	67	18%	0.176	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152	172	62.5	-81.4	0	0	0	109	F251 A256 V323 L512 P514	F251-Y271 HydrophobicContact CD1-CD2 4.22Å; F251-Y271 WeakPolarHBondContact O-CE2 3.49Å; A256-Y271 HydrophobicContact CB-CD1 4.05Å; A256-Y271 HydrophobicContact CB-CG 4.24Å; Y271-V323 VanDerWaalsContact CA-O 3.3Å; Y271-V323 WeakPolarHBondContact CA-O 3.37Å; Y271-L512 PolarHBondContact OH-O 2.89Å; Y271-P514 HydrophobicContact CD1-CG 4.05Å; Y271-P514 HydrophobicContact CE1-CG 4.03Å
272	S	89.2	Confident	84.9	Confident	59 Å²	59	65 Å²	65	41%	0.413	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	162.6	176.1	60.6	0	0	0	0	110.8	V323	S272-V323 PolarHBondContact N-O 2.92Å; S272-V323 PolarHBondContact O-N 3.08Å; S272-V323 WeakPolarHBondContact OG-CG2 3.01Å
273	S	89.1	Confident	84	Confident	67 Å²	67	67.7 Å²	67.7	47%	0.469	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	145.4	172.5	63.7	0	0	0	0	110.7	G321	S273-G321 CarbonylContact C-O 3.57Å; S273-G321 VanDerWaalsContact CA-O 3.23Å; S273-G321 WeakPolarHBondContact CA-O 3.22Å
274	V	88.3	Confident	83.4	Confident	18 Å²	18	66.3 Å²	66.3	11%	0.109	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.9	178.6	-66	0	0	0	0	111.1	F221 L320 G321 V323	F221-V274 HydrophobicContact CE1-CG1 4.34Å; F221-V274 HydrophobicContact CE2-CG2 4.38Å; F221-V274 HydrophobicContact CZ-CB 4.38Å; F221-V274 HydrophobicContact CZ-CG1 4.29Å; F221-V274 HydrophobicContact CZ-CG2 4.35Å; V274-L320 CarbonylContact O-C 3.59Å; V274-L320 WeakPolarHBondContact O-CA 3.36Å; V274-G321 PolarHBondContact N-O 2.89Å; V274-G321 PolarHBondContact O-N 2.8Å; V274-V323 HydrophobicContact CB-CG1 4.47Å; V274-V323 HydrophobicContact CG1-CB 4.46Å; V274-V323 HydrophobicContact CG1-CG1 3.93Å; V274-V323 HydrophobicContact CG1-CG2 3.68Å; V274-V323 HydrophobicContact CG2-CG1 3.68Å
275	P	87.4	Confident	82.9	Confident	77 Å²	77	63.9 Å²	63.9	50%	0.5	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.6	172	-22.7	34.2	0	0	0	112.6	E277 L320	P275-E277 VanDerWaalsContact C-N 3.29Å; P275-E277 PolarHBondContact O-N 3.14Å; P275-L320 HydrophobicContact CG-CD2 4.44Å
276	L	80.6	Confident	82.5	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.026	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-75.5	-13.3	-177.5	-64	178	0	0	0	114.6	V245 N278 V279 F282 L285 S319	V245-L276 HydrophobicContact CB-CD2 4.31Å; V245-L276 HydrophobicContact CG1-CD1 4.4Å; V245-L276 HydrophobicContact CG1-CD2 3.44Å; V245-L276 VanDerWaalsContact CG1-CD2 3.44Å; V245-L276 HydrophobicContact CG2-CD1 3.81Å; V245-L276 HydrophobicContact CG2-CD2 4.16Å; L276-N278 PolarHBondContact O-N 3.39Å; L276-V279 PolarHBondContact O-N 2.66Å; L276-V279 VanDerWaalsContact O-N 3.1Å; L276-F282 HydrophobicContact CD2-CD2 4.45Å; L276-F282 HydrophobicContact CD2-CE2 3.98Å; L276-L285 HydrophobicContact CB-CD2 4.32Å; L276-S319 WeakPolarHBondContact CG-O 3.41Å; L276-S319 PolarHBondContact N-O 2.97Å
277	E	74.1	Confident	82.6	Confident	174 Å²	174	61.1 Å²	61.1	81%	0.813	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-57.4	-23.3	-173.4	-62.1	-178.7	-176.6	0	0	113.3	P275	P275-E277 VanDerWaalsContact C-N 3.29Å; P275-E277 PolarHBondContact O-N 3.14Å
278	N	62.8	Low	82.7	Confident	110 Å²	110	59.8 Å²	59.8	59%	0.588	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-95.1	-4.5	-176.6	-66	-19.4	0	0	0	114.6	L276	L276-N278 PolarHBondContact O-N 3.39Å
279	V	68.6	Low	82.8	Confident	17 Å²	17	59.8 Å²	59.8	10%	0.103	32%	0.322	C	S	.	.			trans	-102.1	100.8	-170.4	-169.4	0	0	0	0	112.2	F221 I228 L276 T281 F282	F221-V279 HydrophobicContact CE2-CG2 4.06Å; I228-V279 HydrophobicContact CD1-CB 4.5Å; I228-V279 HydrophobicContact CD1-CG1 4.19Å; I228-V279 HydrophobicContact CD1-CG2 3.73Å; L276-V279 PolarHBondContact O-N 2.66Å; L276-V279 VanDerWaalsContact O-N 3.1Å; V279-T281 VanDerWaalsContact C-N 3.29Å; V279-T281 WeakPolarHBondContact CG1-OG1 3.38Å; V279-T281 PolarHBondContact O-N 2.72Å; V279-F282 HydrophobicContact CB-CD2 3.53Å; V279-F282 HydrophobicContact CB-CE2 3.4Å; V279-F282 HydrophobicContact CG1-CD2 3.45Å; V279-F282 VanDerWaalsContact CG1-CD2 3.45Å; V279-F282 HydrophobicContact CG1-CE2 3.16Å; V279-F282 HydrophobicContact CG1-CG 4.37Å; V279-F282 HydrophobicContact CG1-CZ 3.88Å; V279-F282 HydrophobicContact CG2-CD2 4.48Å; V279-F282 HydrophobicContact CG2-CE2 3.93Å
280	K	68.3	Low	82.9	Confident	208 Å²	208	60 Å²	60	90%	0.904	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-15.8	-176.3	-64.9	-178	-178.6	176	0	115
281	T	70.9	Confident	83	Confident	62 Å²	62	57.6 Å²	57.6	38%	0.38	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.8	-173.4	45.5	0	0	0	0	114.6	E219 V279	E219-T281 VanDerWaalsContact OE1-CG2 3.3Å; E219-T281 WeakPolarHBondContact OE1-CG2 3.48Å; E219-T281 PolarHBondContact OE2-OG1 3.41Å; E219-T281 VanDerWaalsContact OE2-OG1 3.11Å; V279-T281 VanDerWaalsContact C-N 3.29Å; V279-T281 WeakPolarHBondContact CG1-OG1 3.38Å; V279-T281 PolarHBondContact O-N 2.72Å
282	F	78	Confident	82.7	Confident	21 Å²	21	55.8 Å²	55.8	9%	0.092	30%	0.295	C	S	.	.			trans	-84.3	136.1	-179.9	-63.8	-55.4	0	0	0	113.1	I228 K230 I243 G244 V245 L276 V279 L285	I228-F282 HydrophobicContact CD1-CE2 3.76Å; I228-F282 HydrophobicContact CD1-CZ 3.65Å; I228-F282 HydrophobicContact CG1-CZ 4.22Å; K230-F282 HydrophobicContact CB-CE1 4.12Å; K230-F282 HydrophobicContact CD-CE1 3.95Å; K230-F282 HydrophobicContact CG-CE1 3.66Å; K230-F282 HydrophobicContact CG-CZ 4.07Å; I243-F282 HydrophobicContact CG2-CD1 4.18Å; G244-F282 WeakPolarHBondContact O-CE1 3.25Å; V245-F282 HydrophobicContact CG1-CD1 4.26Å; V245-F282 HydrophobicContact CG1-CD2 4.25Å; V245-F282 HydrophobicContact CG1-CE1 3.62Å; V245-F282 HydrophobicContact CG1-CE2 3.58Å; V245-F282 HydrophobicContact CG1-CZ 3.27Å; L276-F282 HydrophobicContact CD2-CD2 4.45Å; L276-F282 HydrophobicContact CD2-CE2 3.98Å; V279-F282 HydrophobicContact CB-CD2 3.53Å; V279-F282 HydrophobicContact CB-CE2 3.4Å; V279-F282 HydrophobicContact CG1-CD2 3.45Å; V279-F282 VanDerWaalsContact CG1-CD2 3.45Å; V279-F282 HydrophobicContact CG1-CE2 3.16Å; V279-F282 HydrophobicContact CG1-CG 4.37Å; V279-F282 HydrophobicContact CG1-CZ 3.88Å; V279-F282 HydrophobicContact CG2-CD2 4.48Å; V279-F282 HydrophobicContact CG2-CE2 3.93Å; F282-L285 HydrophobicContact CB-CD2 4.14Å; F282-L285 HydrophobicContact CD2-CD2 4.49Å
283	T	76.8	Confident	82.6	Confident	91 Å²	91	53.2 Å²	53.2	56%	0.558	28%	0.277	S	S	*	.	S	Bend	trans	-82.7	-21	167.1	56.3	0	0	0	0	112.1	I243	I243-T283 HydrophobicContact CB-CG2 4.46Å; I243-T283 PolarHBondContact N-OG1 2.02Å; I243-T283 PolarHBondContact O-N 2.97Å; I243-T283 PolarHBondContact O-OG1 3.01Å
284	I	81.1	Confident	82.5	Confident	19 Å²	19	50 Å²	50	10%	0.097	26%	0.255	C	S	.	.			trans	-138.6	125.5	-173.7	-63	-175.1	0	0	0	109.5	A242 I243 Y286 L288	A242-I284 HydrophobicContact CB-CD1 3.59Å; I243-I284 PolarHBondContact O-N 3.04Å; I284-Y286 HydrophobicContact CG2-CD1 3.46Å; I284-Y286 VanDerWaalsContact CG2-CD1 3.46Å; I284-Y286 HydrophobicContact CG2-CD2 3.52Å; I284-Y286 HydrophobicContact CG2-CE1 3.28Å; I284-Y286 HydrophobicContact CG2-CE2 3.31Å; I284-Y286 HydrophobicContact CG2-CG 3.58Å; I284-Y286 PolarHBondContact O-N 2.86Å; I284-L288 HydrophobicContact CD1-CD1 4.44Å; I284-L288 HydrophobicContact CD1-CD2 4.13Å; I284-L288 HydrophobicContact CG2-CD2 4.07Å
285	L	84.2	Confident	82.4	Confident	107 Å²	107	52.3 Å²	52.3	56%	0.56	26%	0.263	S	S	*	.	S	Bend	trans	-98	44.9	-179.2	-59.6	175.4	0	0	0	112.2	L276 F282	L276-L285 HydrophobicContact CB-CD2 4.32Å; F282-L285 HydrophobicContact CB-CD2 4.14Å; F282-L285 HydrophobicContact CD2-CD2 4.49Å
286	Y	86.4	Confident	82.4	Confident	81 Å²	81	49 Å²	49	32%	0.318	24%	0.244	S	C	.	.	S	Bend	trans	-149.1	157.8	170.3	54.7	-105.9	0	0	0	110.7	I284 L288 P310	I284-Y286 HydrophobicContact CG2-CD1 3.46Å; I284-Y286 VanDerWaalsContact CG2-CD1 3.46Å; I284-Y286 HydrophobicContact CG2-CD2 3.52Å; I284-Y286 HydrophobicContact CG2-CE1 3.28Å; I284-Y286 HydrophobicContact CG2-CE2 3.31Å; I284-Y286 HydrophobicContact CG2-CG 3.58Å; I284-Y286 PolarHBondContact O-N 2.86Å; Y286-L288 HydrophobicContact CD2-CD2 3.93Å; Y286-L288 HydrophobicContact CE2-CD2 3.54Å; Y286-L288 PolarHBondContact O-N 3.4Å; Y286-P310 PolarHBondContact OH-O 2.83Å
287	P	92.8	Very high	82.7	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	128.7	-179.4	-25.8	36.5	0	0	0	112.9	V245 C247 G312 V313 C315 K318	V245-P287 HydrophobicContact CG2-CB 4.45Å; V245-P287 HydrophobicContact CG2-CG 4.22Å; V245-P287 CarbonylContact O-C 3.55Å; V245-P287 WeakPolarHBondContact O-CA 3.28Å; C247-P287 HydrophobicContact CB-CB 3.82Å; C247-P287 HydrophobicContact CB-CG 4.37Å; P287-G312 CarbonylContact O-C 3.53Å; P287-G312 VanDerWaalsContact O-CA 3.23Å; P287-G312 WeakPolarHBondContact O-CA 3.33Å; P287-V313 HydrophobicContact CB-CG2 3.91Å; P287-V313 WeakPolarHBondContact O-CG2 3.12Å; P287-V313 PolarHBondContact O-N 3.39Å; P287-C315 HydrophobicContact CB-CB 4.21Å; P287-C315 HydrophobicContact CG-CB 3.84Å; P287-K318 WeakPolarHBondContact CD-O 3.21Å
288	L	94.8	Very high	83.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-24.5	177.7	-62	-175.3	0	0	0	113.2	V233 A242 V245 I284 Y286 D309 V313	V233-L288 HydrophobicContact CB-CD1 4.43Å; V233-L288 HydrophobicContact CG2-CB 3.91Å; V233-L288 HydrophobicContact CG2-CD1 4.07Å; A242-L288 HydrophobicContact CB-CD1 3.95Å; V245-L288 PolarHBondContact O-N 3.03Å; I284-L288 HydrophobicContact CD1-CD1 4.44Å; I284-L288 HydrophobicContact CD1-CD2 4.13Å; I284-L288 HydrophobicContact CG2-CD2 4.07Å; Y286-L288 HydrophobicContact CD2-CD2 3.93Å; Y286-L288 HydrophobicContact CE2-CD2 3.54Å; Y286-L288 PolarHBondContact O-N 3.4Å; L288-D309 PolarHBondContact O-N 3.4Å; L288-V313 VanDerWaalsContact O-CG1 3.32Å; L288-V313 WeakPolarHBondContact O-CG1 3.48Å
289	V	95.2	Very high	85	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.5	-176	178.3	0	0	0	0	108.6	F214 A231 V233 I246 C247 F307 T308	F214-V289 HydrophobicContact CB-CG2 3.87Å; F214-V289 HydrophobicContact CD1-CG1 4.25Å; F214-V289 HydrophobicContact CD1-CG2 4.18Å; F214-V289 HydrophobicContact CD2-CB 4.48Å; F214-V289 HydrophobicContact CD2-CG1 4.22Å; F214-V289 HydrophobicContact CD2-CG2 3.7Å; F214-V289 HydrophobicContact CE1-CG1 4.02Å; F214-V289 HydrophobicContact CE2-CG1 3.97Å; F214-V289 HydrophobicContact CE2-CG2 4.27Å; F214-V289 HydrophobicContact CG-CG1 4.36Å; F214-V289 HydrophobicContact CG-CG2 3.64Å; F214-V289 HydrophobicContact CZ-CG1 3.87Å; A231-V289 HydrophobicContact CB-CB 4.15Å; A231-V289 HydrophobicContact CB-CG2 3.58Å; V233-V289 HydrophobicContact CG2-CG2 4.12Å; I246-V289 CarbonylContact C-O 3.55Å; I246-V289 WeakPolarHBondContact CA-O 3.45Å; I246-V289 HydrophobicContact CG1-CB 4.41Å; C247-V289 WeakPolarHBondContact CB-O 3.36Å; C247-V289 PolarHBondContact N-O 3.07Å; V289-F307 CarbonylContact C-O 3.49Å; V289-F307 WeakPolarHBondContact CA-O 3.5Å; V289-T308 HydrophobicContact CG2-CG2 4.06Å
290	R	92.3	Very high	86.3	Confident	44 Å²	44	49.1 Å²	49.1	17%	0.166	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.6	168.4	178.6	178.2	-177.8	128.3	5.8	107.8	C247 D249 F307 V313 P314	C247-R290 HydrophobicContact CB-CB 4.12Å; C247-R290 HydrophobicContact CB-CG 4.34Å; D249-R290 IonicContact OD2-CZ 3.31Å; D249-R290 VanDerWaalsContact OD2-CZ 3.31Å; D249-R290 IonicContact OD2-NH1 2.77Å; D249-R290 PolarHBondContact OD2-NH1 2.96Å; D249-R290 IonicContact OD2-NH2 2.71Å; D249-R290 PolarHBondContact OD2-NH2 2.7Å; R290-F307 HydrophobicContact CB-CB 4.45Å; R290-F307 PolarHBondContact N-O 2.72Å; R290-F307 PolarHBondContact O-N 3.22Å; R290-V313 HydrophobicContact CB-CB 4.28Å; R290-V313 HydrophobicContact CB-CG2 3.94Å; R290-P314 PolarHBondContact NH1-O 2.86Å
291	I	91.2	Very high	87.6	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.7	171.5	-51.3	-178.8	0	0	0	107.2	I246 F251 E255 L301 C304 T306	I246-I291 HydrophobicContact CD1-CD1 4.16Å; I246-I291 HydrophobicContact CG2-CD1 4.04Å; I246-I291 HydrophobicContact CG2-CG1 3.87Å; F251-I291 HydrophobicContact CD2-CD1 3.85Å; F251-I291 HydrophobicContact CE2-CD1 3.96Å; E255-I291 HydrophobicContact CB-CD1 4.18Å; E255-I291 HydrophobicContact CG-CB 4.22Å; E255-I291 HydrophobicContact CG-CD1 3.96Å; E255-I291 HydrophobicContact CG-CG2 3.71Å; I291-L301 HydrophobicContact CD1-CB 4.23Å; I291-L301 HydrophobicContact CD1-CD1 4.04Å; I291-L301 HydrophobicContact CD1-CD2 3.67Å; I291-L301 HydrophobicContact CD1-CG 4.19Å; I291-C304 HydrophobicContact CG2-CB 4.25Å; I291-T306 HydrophobicContact CG1-CG2 4.4Å; I291-T306 HydrophobicContact CG2-CG2 4.44Å
292	G	85.4	Confident	88.8	Confident	8 Å²	8	38.5 Å²	38.5	8%	0.082	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-58	172.8	0	0	0	0	0	110.4	W189 V305	W189-G292 WeakPolarHBondContact CH2-O 3.37Å; W189-G292 WeakPolarHBondContact CZ3-O 3.14Å; G292-V305 WeakPolarHBondContact CA-O 3.44Å; G292-V305 PolarHBondContact N-O 3.37Å
293	H	85.6	Confident	89.6	Confident	5 Å²	5	42.3 Å²	42.3	2%	0.023	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	153.8	168.9	60	-82.2	0	0	0	109.5	W189 V193 E255 F295 C304 V305 Y548	W189-H293 HydrophobicContact CZ2-CB 4.5Å; V193-H293 WeakPolarHBondContact CG1-NE2 3.43Å; V193-H293 PolarHBondContact O-CE1 2.79Å; V193-H293 VanDerWaalsContact O-CE1 3.31Å; E255-H293 WeakPolarHBondContact OE1-CA 3.48Å; H293-F295 AromaticContact NE2-CE2 3.88Å; H293-C304 WeakPolarHBondContact O-CB 3.37Å; H293-V305 WeakPolarHBondContact CE1-CG2 3.33Å; H293-V305 PolarHBondContact N-O 3.14Å; H293-V305 PolarHBondContact O-N 3.45Å; H293-Y548 HydrophobicContact CB-CE2 4.36Å
294	C	88.7	Confident	90.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.			trans	-110.3	147.9	158.8	-59.8	0	0	0	0	109.3	A254 E255 V258 E298 C304 Y548	A254-C294 HydrophobicContact CB-CB 4.49Å; E255-C294 HydrophobicContact CG-CB 4.32Å; E255-C294 PolarHBondContact OE1-N 2.95Å; V258-C294 HydrophobicContact CG2-CB 4.03Å; C294-E298 WeakPolarHBondContact CA-OE1 3.1Å; C294-C304 HydrophobicContact CB-CB 4.02Å; C294-C304 WeakPolarHBondContact CB-SG 3.28Å; C294-C304 WeakPolarHBondContact SG-CB 3.33Å; C294-C304 CovalentContact SG-SG 2.03Å; C294-C304 PolarHBondContact SG-SG 2.87Å; C294-Y548 VanDerWaalsContact O-CE2 3.32Å; C294-Y548 WeakPolarHBondContact O-CE2 3.23Å
295	F	85.9	Confident	90.8	Very high	65 Å²	65	39.7 Å²	39.7	29%	0.285	21%	0.205	S	C	.	.			trans	-72.9	-21.3	165.1	-75.2	-92.5	0	0	0	111.7	V193 H293 E298 H546 Y548	V193-F295 HydrophobicContact CG1-CZ 4.37Å; H293-F295 AromaticContact NE2-CE2 3.88Å; F295-E298 PolarHBondContact N-OE1 2.85Å; F295-E298 PolarHBondContact N-OE2 2.88Å; F295-H546 PolarHBondContact O-NE2 2.93Å; F295-Y548 AromaticContact CD1-CD2 3.99Å; F295-Y548 HydrophobicContact CD1-CD2 3.99Å; F295-Y548 HydrophobicContact CE1-CD2 4.11Å; F295-Y548 HydrophobicContact CE1-CG 4.49Å; F295-Y548 HydrophobicContact CG-CD2 4.48Å
296	G	86.1	Confident	91.2	Very high	9 Å²	9	35.4 Å²	35.4	9%	0.093	18%	0.183	C	C	.	.	S	Bend	trans	99.4	-6.6	178.6	0	0	0	0	0	113.8	R261 E298	R261-G296 PolarHBondContact NH1-O 2.86Å; R261-G296 PolarHBondContact NH2-O 2.97Å; G296-E298 WeakPolarHBondContact CA-OE2 3.46Å; G296-E298 PolarHBondContact N-OE2 2.88Å
297	N	87.9	Confident	91.5	Very high	106 Å²	106	31.6 Å²	31.6	57%	0.567	17%	0.168	S	C	*	.			trans	-99.2	-3.4	178.1	65.5	12.4	0	0	0	113.5
298	E	92.6	Very high	91.6	Very high	20 Å²	20	31.5 Å²	31.5	9%	0.093	17%	0.168	C	C	.	.			trans	-67.5	153.5	180	-64	91.4	157.8	0	0	113.1	V258 R261 C294 F295 G296 D303	V258-E298 HydrophobicContact CG1-CB 4Å; V258-E298 HydrophobicContact CG2-CB 3.93Å; R261-E298 WeakPolarHBondContact CD-O 3.43Å; R261-E298 PolarHBondContact NH1-O 3.44Å; C294-E298 WeakPolarHBondContact CA-OE1 3.1Å; F295-E298 PolarHBondContact N-OE1 2.85Å; F295-E298 PolarHBondContact N-OE2 2.88Å; G296-E298 WeakPolarHBondContact CA-OE2 3.46Å; G296-E298 PolarHBondContact N-OE2 2.88Å; E298-D303 HydrophobicContact CB-CB 4.02Å; E298-D303 HydrophobicContact CG-CB 4.13Å
299	S	93.1	Very high	91.6	Very high	75 Å²	75	31.8 Å²	31.8	52%	0.524	17%	0.169	S	C	.	.	S	Bend	trans	-83.5	-31.3	-179.4	-66	0	0	0	0	113.3
300	K	95.4	Very high	91.4	Very high	106 Å²	106	32.4 Å²	32.4	46%	0.461	17%	0.173	S	C	.	.	S	Bend	trans	-145.4	159.1	-179.8	-51.2	-177.9	-179.7	-179.8	0	110.4	V258 E302 D303	V258-K300 WeakPolarHBondContact CG1-O 3.43Å; K300-E302 VanDerWaalsContact CB-OE2 3.23Å; K300-E302 WeakPolarHBondContact CB-OE2 3.29Å; K300-E302 PolarHBondContact O-N 2.83Å; K300-E302 VanDerWaalsContact O-N 3.15Å; K300-D303 PolarHBondContact N-OD2 3.05Å; K300-D303 WeakPolarHBondContact O-CB 3.11Å; K300-D303 PolarHBondContact O-N 2.85Å
301	L	96.2	Very high	91.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.8	-178	-61.4	172.6	0	0	0	112.5	F214 V229 I246 E255 V258 A259 I291 D303 C304 T306	F214-L301 HydrophobicContact CE2-CB 4.41Å; F214-L301 HydrophobicContact CZ-CB 4.2Å; V229-L301 HydrophobicContact CG1-CD1 3.78Å; I246-L301 HydrophobicContact CD1-CD1 3.52Å; E255-L301 HydrophobicContact CB-CD2 4.38Å; E255-L301 WeakPolarHBondContact O-CD2 3.37Å; V258-L301 HydrophobicContact CB-CD2 3.86Å; V258-L301 HydrophobicContact CG1-CD2 3.71Å; V258-L301 HydrophobicContact CG1-CG 4.21Å; A259-L301 HydrophobicContact CB-CD1 3.99Å; A259-L301 HydrophobicContact CB-CD2 4.23Å; A259-L301 HydrophobicContact CB-CG 4.34Å; I291-L301 HydrophobicContact CD1-CB 4.23Å; I291-L301 HydrophobicContact CD1-CD1 4.04Å; I291-L301 HydrophobicContact CD1-CD2 3.67Å; I291-L301 HydrophobicContact CD1-CG 4.19Å; L301-D303 PolarHBondContact O-N 2.87Å; L301-C304 WeakPolarHBondContact O-CB 3.5Å; L301-C304 PolarHBondContact O-N 3.03Å; L301-T306 VanDerWaalsContact O-CG2 3.28Å; L301-T306 WeakPolarHBondContact O-CG2 2.97Å
302	E	95.3	Very high	91.3	Very high	48 Å²	48	36.6 Å²	36.6	22%	0.224	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63	-27.3	173.7	-63.2	90.6	135.7	0	0	113.1	F214 W215 S216 K300 C304	F214-E302 HydrophobicContact CD1-CG 4.49Å; F214-E302 HydrophobicContact CE1-CB 4.48Å; F214-E302 HydrophobicContact CE1-CG 4.17Å; F214-E302 HydrophobicContact CE2-CG 4.21Å; F214-E302 HydrophobicContact CZ-CB 4.49Å; F214-E302 HydrophobicContact CZ-CG 4.03Å; F214-E302 VanDerWaalsContact O-CG 3.26Å; F214-E302 WeakPolarHBondContact O-CG 3.09Å; W215-E302 VanDerWaalsContact CA-OE1 3.27Å; W215-E302 WeakPolarHBondContact CA-OE1 3.19Å; S216-E302 PolarHBondContact N-OE1 3.35Å; S216-E302 PolarHBondContact OG-OE1 2.64Å; S216-E302 PolarHBondContact OG-OE2 3.12Å; K300-E302 VanDerWaalsContact CB-OE2 3.23Å; K300-E302 WeakPolarHBondContact CB-OE2 3.29Å; K300-E302 PolarHBondContact O-N 2.83Å; K300-E302 VanDerWaalsContact O-N 3.15Å; E302-C304 VanDerWaalsContact C-N 3.31Å
303	D	94.6	Very high	91.6	Very high	100 Å²	100	36.5 Å²	36.5	54%	0.535	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-83	-14.2	179.6	-56.4	-38.6	0	0	0	111.8	E298 K300 L301	E298-D303 HydrophobicContact CB-CB 4.02Å; E298-D303 HydrophobicContact CG-CB 4.13Å; K300-D303 PolarHBondContact N-OD2 3.05Å; K300-D303 WeakPolarHBondContact O-CB 3.11Å; K300-D303 PolarHBondContact O-N 2.85Å; L301-D303 PolarHBondContact O-N 2.87Å
304	C	93.1	Very high	91.7	Very high	10 Å²	10	38.4 Å²	38.4	7%	0.068	21%	0.214	C	C	.	.	S	Bend	trans	-77.2	172.2	175.5	-55.9	0	0	0	0	111.7	I291 H293 C294 L301 E302 T306	I291-C304 HydrophobicContact CG2-CB 4.25Å; H293-C304 WeakPolarHBondContact O-CB 3.37Å; C294-C304 HydrophobicContact CB-CB 4.02Å; C294-C304 WeakPolarHBondContact CB-SG 3.28Å; C294-C304 WeakPolarHBondContact SG-CB 3.33Å; C294-C304 CovalentContact SG-SG 2.03Å; C294-C304 PolarHBondContact SG-SG 2.87Å; L301-C304 WeakPolarHBondContact O-CB 3.5Å; L301-C304 PolarHBondContact O-N 3.03Å; E302-C304 VanDerWaalsContact C-N 3.31Å; C304-T306 HydrophobicContact CB-CG2 4.35Å; C304-T306 PolarHBondContact O-N 2.03Å
305	V	90.3	Very high	91.6	Very high	46 Å²	46	39.2 Å²	39.2	28%	0.279	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.7	172.1	-177.2	0	0	0	0	109.1	P196 G292 H293	P196-V305 HydrophobicContact CG-CG1 3.54Å; G292-V305 WeakPolarHBondContact CA-O 3.44Å; G292-V305 PolarHBondContact N-O 3.37Å; H293-V305 WeakPolarHBondContact CE1-CG2 3.33Å; H293-V305 PolarHBondContact N-O 3.14Å; H293-V305 PolarHBondContact O-N 3.45Å
306	T	92.8	Very high	91.3	Very high	16 Å²	16	40.6 Å²	40.6	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.2	-172.1	55.4	0	0	0	0	113.3	F214 I291 L301 C304	F214-T306 HydrophobicContact CE1-CG2 3.75Å; F214-T306 HydrophobicContact CZ-CG2 3.89Å; I291-T306 HydrophobicContact CG1-CG2 4.4Å; I291-T306 HydrophobicContact CG2-CG2 4.44Å; L301-T306 VanDerWaalsContact O-CG2 3.28Å; L301-T306 WeakPolarHBondContact O-CG2 2.97Å; C304-T306 HydrophobicContact CB-CG2 4.35Å; C304-T306 PolarHBondContact O-N 2.03Å
307	F	93	Very high	91.2	Very high	2 Å²	2	43 Å²	43	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.9	174.9	-56.3	-99.6	0	0	0	108.6	P196 I198 I206 M209 K210 V289 R290	P196-F307 HydrophobicContact CB-CE2 4.19Å; P196-F307 HydrophobicContact CB-CZ 3.79Å; P196-F307 HydrophobicContact CG-CE2 4.25Å; P196-F307 HydrophobicContact CG-CZ 3.85Å; I198-F307 HydrophobicContact CD1-CB 3.79Å; I198-F307 HydrophobicContact CD1-CD1 3.44Å; I198-F307 VanDerWaalsContact CD1-CD1 3.44Å; I198-F307 HydrophobicContact CD1-CD2 3.68Å; I198-F307 HydrophobicContact CD1-CE1 3.74Å; I198-F307 HydrophobicContact CD1-CE2 4.01Å; I198-F307 HydrophobicContact CD1-CG 3.38Å; I198-F307 HydrophobicContact CD1-CZ 4.02Å; I198-F307 HydrophobicContact CG1-CD1 4.2Å; I198-F307 HydrophobicContact CG1-CD2 4.34Å; I198-F307 HydrophobicContact CG1-CE1 3.97Å; I198-F307 HydrophobicContact CG1-CE2 4.17Å; I198-F307 HydrophobicContact CG1-CG 4.36Å; I198-F307 HydrophobicContact CG1-CZ 3.96Å; I206-F307 HydrophobicContact CG2-CE1 3.9Å; M209-F307 HydrophobicContact CB-CB 4.07Å; M209-F307 HydrophobicContact CB-CD1 4.33Å; K210-F307 HydrophobicContact CD-CE1 4.25Å; K210-F307 HydrophobicContact CG-CD1 3.89Å; K210-F307 HydrophobicContact CG-CE1 3.9Å; V289-F307 CarbonylContact C-O 3.49Å; V289-F307 WeakPolarHBondContact CA-O 3.5Å; R290-F307 HydrophobicContact CB-CB 4.45Å; R290-F307 PolarHBondContact N-O 2.72Å; R290-F307 PolarHBondContact O-N 3.22Å
308	T	95.1	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.6	-171.9	-60.5	0	0	0	0	110.5	M209 Q212 F214 V233 V289	M209-T308 VanDerWaalsContact CA-O 3.32Å; M209-T308 WeakPolarHBondContact CA-O 3.18Å; M209-T308 WeakPolarHBondContact CG-O 3.37Å; M209-T308 PolarHBondContact O-N 3.47Å; Q212-T308 HydrophobicContact CB-CG2 3.89Å; Q212-T308 PolarHBondContact OE1-O 2.89Å; Q212-T308 VanDerWaalsContact OE1-O 3.08Å; F214-T308 HydrophobicContact CB-CG2 3.97Å; F214-T308 WeakPolarHBondContact CD1-OG1 3.49Å; V233-T308 HydrophobicContact CB-CG2 4.27Å; V233-T308 HydrophobicContact CG1-CG2 3.55Å; V233-T308 HydrophobicContact CG2-CG2 3.64Å; V289-T308 HydrophobicContact CG2-CG2 4.06Å
309	D	93.8	Very high	90.9	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.032	27%	0.266	C	S	.	.			trans	-148.7	123.5	169.3	-159.5	-46.8	0	0	0	110.6	R208 M209 L288 N311 G312 V313	R208-D309 IonicContact CZ-OD2 3.68Å; R208-D309 IonicContact NE-OD2 3.69Å; R208-D309 IonicContact NH2-OD2 2.86Å; R208-D309 PolarHBondContact NH2-OD2 2.96Å; M209-D309 HydrophobicContact CE-CB 3.72Å; M209-D309 HydrophobicContact CG-CB 4.24Å; L288-D309 PolarHBondContact O-N 3.4Å; D309-N311 PolarHBondContact O-N 2.93Å; D309-N311 VanDerWaalsContact O-N 3.12Å; D309-N311 WeakPolarHBondContact OD1-CB 3.22Å; D309-N311 PolarHBondContact OD1-N 2.81Å; D309-N311 PolarHBondContact OD1-ND2 3.03Å; D309-G312 PolarHBondContact O-N 3.04Å; D309-V313 HydrophobicContact CB-CG1 4.19Å
310	P	91.8	Very high	90.7	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.078	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.8	178.2	28.1	-37.4	0	0	0	113.1	V233 Q235 Y286 G312	V233-P310 HydrophobicContact CB-CB 4.47Å; V233-P310 HydrophobicContact CG1-CB 3.94Å; V233-P310 HydrophobicContact CG1-CG 4.36Å; Q235-P310 HydrophobicContact CB-CB 3.88Å; Q235-P310 HydrophobicContact CG-CB 3.83Å; Q235-P310 HydrophobicContact CG-CG 4.29Å; Y286-P310 PolarHBondContact OH-O 2.83Å; P310-G312 VanDerWaalsContact C-N 3.32Å
311	N	90.4	Very high	90.4	Very high	116 Å²	116	39.3 Å²	39.3	62%	0.62	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	1.7	174.6	-48.1	-64.7	0	0	0	112.6	D309	D309-N311 PolarHBondContact O-N 2.93Å; D309-N311 VanDerWaalsContact O-N 3.12Å; D309-N311 WeakPolarHBondContact OD1-CB 3.22Å; D309-N311 PolarHBondContact OD1-N 2.81Å; D309-N311 PolarHBondContact OD1-ND2 3.03Å
312	G	90.8	Very high	90.3	Very high	19 Å²	19	39.5 Å²	39.5	20%	0.196	23%	0.228	C	C	.	.			trans	104.8	148	176.3	0	0	0	0	0	113.4	P287 D309 P310	P287-G312 CarbonylContact O-C 3.53Å; P287-G312 VanDerWaalsContact O-CA 3.23Å; P287-G312 WeakPolarHBondContact O-CA 3.33Å; D309-G312 PolarHBondContact O-N 3.04Å; P310-G312 VanDerWaalsContact C-N 3.32Å
313	V	91.6	Very high	90.2	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.036	22%	0.218	C	C	.	.			trans	-104.4	154.6	177.2	-66.3	0	0	0	0	111.3	M209 C247 P287 L288 R290 D309 C315	M209-V313 HydrophobicContact CE-CG1 4.49Å; C247-V313 HydrophobicContact CB-CG2 4.31Å; P287-V313 HydrophobicContact CB-CG2 3.91Å; P287-V313 WeakPolarHBondContact O-CG2 3.12Å; P287-V313 PolarHBondContact O-N 3.39Å; L288-V313 VanDerWaalsContact O-CG1 3.32Å; L288-V313 WeakPolarHBondContact O-CG1 3.48Å; R290-V313 HydrophobicContact CB-CB 4.28Å; R290-V313 HydrophobicContact CB-CG2 3.94Å; D309-V313 HydrophobicContact CB-CG1 4.19Å; V313-C315 PolarHBondContact O-N 3.34Å
314	P	87.4	Confident	90.2	Very high	44 Å²	44	32.6 Å²	32.6	29%	0.286	19%	0.193	S	C	.	.			trans	-61.3	125.9	170.1	-20.8	33.2	0	0	0	110.9	I198 L201 R290	I198-P314 HydrophobicContact CG2-CB 4.05Å; I198-P314 HydrophobicContact CG2-CG 4.03Å; L201-P314 HydrophobicContact CD1-CG 3.66Å; L201-P314 HydrophobicContact CD2-CG 4.21Å; L201-P314 HydrophobicContact CG-CG 3.92Å; R290-P314 PolarHBondContact NH1-O 2.86Å
315	C	86.3	Confident	90.3	Very high	18 Å²	18	35 Å²	35	12%	0.122	21%	0.205	C	C	.	.			trans	-145.3	145.3	-179.8	-160	0	0	0	0	109.2	C247 P287 V313 N317	C247-C315 WeakPolarHBondContact CA-SG 3.28Å; C247-C315 HydrophobicContact CB-CB 3.86Å; C247-C315 WeakPolarHBondContact CB-SG 3.42Å; C247-C315 WeakPolarHBondContact SG-CA 3.48Å; C247-C315 WeakPolarHBondContact SG-CB 3.44Å; C247-C315 CovalentContact SG-SG 2.03Å; C247-C315 PolarHBondContact SG-SG 3.44Å; P287-C315 HydrophobicContact CB-CB 4.21Å; P287-C315 HydrophobicContact CG-CB 3.84Å; V313-C315 PolarHBondContact O-N 3.34Å; C315-N317 PolarHBondContact SG-O 2.99Å
316	S	79.7	Confident	90.5	Very high	93 Å²	93	33.5 Å²	33.5	65%	0.65	20%	0.196	S	C	*	.	S	Bend	trans	-60.9	-45	178.4	64.3	0	0	0	0	111.5	D249	D249-S316 WeakPolarHBondContact OD1-CB 3.38Å; D249-S316 PolarHBondContact OD1-N 2.99Å; D249-S316 PolarHBondContact OD1-OG 2.82Å; D249-S316 PolarHBondContact OD2-N 2.68Å; D249-S316 VanDerWaalsContact OD2-N 3.09Å
317	N	84.1	Confident	90.5	Very high	61 Å²	61	33.7 Å²	33.7	33%	0.326	20%	0.198	S	C	.	.			trans	-124.9	120.8	176.4	-165.2	-31.3	0	0	0	110.5	V248 C315 S319 L320	V248-N317 HydrophobicContact CG2-CB 4.43Å; C315-N317 PolarHBondContact SG-O 2.99Å; N317-S319 PolarHBondContact OD1-N 3.32Å; N317-L320 HydrophobicContact CB-CD1 3.9Å; N317-L320 HydrophobicContact CB-CG 4.18Å; N317-L320 VanDerWaalsContact ND2-CD1 3.34Å; N317-L320 WeakPolarHBondContact ND2-CD1 3.3Å
318	K	87.3	Confident	90.6	Very high	125 Å²	125	38.1 Å²	38.1	54%	0.543	23%	0.226	S	C	.	.	S	Bend	trans	-89.1	-10.2	-178.2	-63.5	-177.9	-179.6	-179.9	0	113.6	P287	P287-K318 WeakPolarHBondContact CD-O 3.21Å
319	S	86.2	Confident	90.6	Very high	70 Å²	70	40.6 Å²	40.6	49%	0.49	24%	0.241	S	C	.	.	S	Bend	trans	-101.7	5.8	-174.8	-54.7	0	0	0	0	113.1	L276 N317	L276-S319 WeakPolarHBondContact CG-O 3.41Å; L276-S319 PolarHBondContact N-O 2.97Å; N317-S319 PolarHBondContact OD1-N 3.32Å
320	L	88.9	Confident	90.6	Very high	33 Å²	33	40.7 Å²	40.7	17%	0.173	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.9	-179.9	-63.2	178.3	0	0	0	111.4	V248 V274 P275 N317	V248-L320 HydrophobicContact CG1-CB 3.67Å; V248-L320 HydrophobicContact CG2-CB 4.46Å; V274-L320 CarbonylContact O-C 3.59Å; V274-L320 WeakPolarHBondContact O-CA 3.36Å; P275-L320 HydrophobicContact CG-CD2 4.44Å; N317-L320 HydrophobicContact CB-CD1 3.9Å; N317-L320 HydrophobicContact CB-CG 4.18Å; N317-L320 VanDerWaalsContact ND2-CD1 3.34Å; N317-L320 WeakPolarHBondContact ND2-CD1 3.3Å
321	G	90.3	Very high	90.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	177.4	164.7	0	0	0	0	0	110.7	S273 V274	S273-G321 CarbonylContact C-O 3.57Å; S273-G321 VanDerWaalsContact CA-O 3.23Å; S273-G321 WeakPolarHBondContact CA-O 3.22Å; V274-G321 PolarHBondContact N-O 2.89Å; V274-G321 PolarHBondContact O-N 2.8Å
322	I	93.2	Very high	91	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132	-179.3	-62.7	152	0	0	0	108.9	I228 V229 I246 V248 F251 V324	I228-I322 WeakPolarHBondContact CA-O 3.41Å; V229-I322 HydrophobicContact CG2-CB 4.3Å; V229-I322 HydrophobicContact CG2-CG2 4.06Å; V229-I322 PolarHBondContact N-O 2.8Å; I246-I322 HydrophobicContact CB-CD1 4.09Å; I246-I322 HydrophobicContact CG2-CD1 4.03Å; V248-I322 HydrophobicContact CG1-CD1 4.5Å; V248-I322 HydrophobicContact CG1-CG1 3.84Å; F251-I322 HydrophobicContact CB-CD1 3.6Å; F251-I322 HydrophobicContact CB-CG1 4.45Å; F251-I322 HydrophobicContact CD1-CD1 4.03Å; F251-I322 HydrophobicContact CD1-CG1 4.43Å; F251-I322 HydrophobicContact CD1-CG2 3.7Å; F251-I322 HydrophobicContact CD2-CD1 3.45Å; F251-I322 VanDerWaalsContact CD2-CD1 3.45Å; F251-I322 HydrophobicContact CE1-CG2 3.51Å; F251-I322 HydrophobicContact CE2-CD1 4.07Å; F251-I322 HydrophobicContact CE2-CG2 4.41Å; F251-I322 HydrophobicContact CG-CD1 3.41Å; F251-I322 VanDerWaalsContact CG-CD1 3.41Å; F251-I322 HydrophobicContact CG-CG1 4.25Å; F251-I322 HydrophobicContact CG-CG2 4.24Å; F251-I322 HydrophobicContact CZ-CG2 3.89Å; I322-V324 HydrophobicContact CG2-CG1 4.21Å
323	V	93.3	Very high	91.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.7	165.8	-63.8	0	0	0	0	109.9	F221 L226 F227 I228 Y271 S272 V274	F221-V323 HydrophobicContact CB-CG1 4.24Å; F221-V323 HydrophobicContact CD1-CG1 4.01Å; F221-V323 HydrophobicContact CD2-CG1 4.09Å; F221-V323 HydrophobicContact CE1-CG1 4.41Å; F221-V323 HydrophobicContact CE2-CG1 4.48Å; F221-V323 HydrophobicContact CG-CG1 3.84Å; L226-V323 HydrophobicContact CB-CB 4.38Å; L226-V323 HydrophobicContact CD1-CG2 4.12Å; F227-V323 CarbonylContact O-C 3.59Å; F227-V323 VanDerWaalsContact O-CA 3.24Å; F227-V323 WeakPolarHBondContact O-CA 3.2Å; I228-V323 HydrophobicContact CB-CG1 4.09Å; I228-V323 HydrophobicContact CG1-CG1 4.3Å; Y271-V323 VanDerWaalsContact CA-O 3.3Å; Y271-V323 WeakPolarHBondContact CA-O 3.37Å; S272-V323 PolarHBondContact N-O 2.92Å; S272-V323 PolarHBondContact O-N 3.08Å; S272-V323 WeakPolarHBondContact OG-CG2 3.01Å; V274-V323 HydrophobicContact CB-CG1 4.47Å; V274-V323 HydrophobicContact CG1-CB 4.46Å; V274-V323 HydrophobicContact CG1-CG1 3.93Å; V274-V323 HydrophobicContact CG1-CG2 3.68Å; V274-V323 HydrophobicContact CG2-CG1 3.68Å
324	V	94.8	Very high	91.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.8	176.3	-56.2	0	0	0	0	110.1	M218 L226 F227 V229 F251 A256 S270 I322	M218-V324 HydrophobicContact CE-CG2 3.23Å; L226-V324 WeakPolarHBondContact CA-O 3.49Å; F227-V324 HydrophobicContact CB-CG2 4.14Å; F227-V324 PolarHBondContact N-O 2.86Å; F227-V324 PolarHBondContact O-N 3.25Å; V229-V324 HydrophobicContact CG2-CG1 4.08Å; F251-V324 HydrophobicContact CE1-CG1 4.04Å; F251-V324 HydrophobicContact CZ-CG1 4.14Å; A256-V324 HydrophobicContact CB-CG1 4.07Å; S270-V324 WeakPolarHBondContact O-CA 3.22Å; I322-V324 HydrophobicContact CG2-CG1 4.21Å
325	N	94.5	Very high	91.8	Very high	61 Å²	61	35.8 Å²	35.8	33%	0.326	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.9	167.6	-168.9	1.6	0	0	0	108.2	L226 A268 S269 S270	L226-N325 HydrophobicContact CD2-CB 3.53Å; A268-N325 CarbonylContact C-O 3.58Å; A268-N325 VanDerWaalsContact CA-O 3.25Å; A268-N325 WeakPolarHBondContact CA-O 3Å; S269-N325 PolarHBondContact N-O 2.88Å; S269-N325 PolarHBondContact OG-ND2 3.28Å; S269-N325 PolarHBondContact OG-O 2.98Å; S270-N325 PolarHBondContact O-N 2.89Å; S270-N325 WeakPolarHBondContact OG-CB 3.42Å
326	C	95.1	Very high	92.4	Very high	14 Å²	14	37.4 Å²	37.4	10%	0.095	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	140	-177.3	-60.6	0	0	0	0	111.6	F227 C260 Y265 F267	F227-C326 HydrophobicContact CD2-CB 4.33Å; F227-C326 HydrophobicContact CE2-CB 4.26Å; C260-C326 VanDerWaalsContact CA-SG 3.53Å; C260-C326 HydrophobicContact CB-CB 3.8Å; C260-C326 WeakPolarHBondContact CB-SG 3.47Å; C260-C326 WeakPolarHBondContact SG-CA 3.28Å; C260-C326 WeakPolarHBondContact SG-CB 3.43Å; C260-C326 CovalentContact SG-SG 2.04Å; C260-C326 PolarHBondContact SG-SG 2.89Å; Y265-C326 HydrophobicContact CD1-CB 3.83Å; Y265-C326 HydrophobicContact CD2-CB 3.81Å; Y265-C326 HydrophobicContact CE1-CB 4.45Å; Y265-C326 HydrophobicContact CE2-CB 4.43Å; Y265-C326 HydrophobicContact CG-CB 3.46Å; Y265-C326 VanDerWaalsContact CG-CB 3.46Å; F267-C326 WeakPolarHBondContact O-CA 3.4Å
327	S	93.8	Very high	93.2	Very high	20 Å²	20	34.4 Å²	34.4	14%	0.14	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162.5	-174.7	-178.3	0	0	0	0	111.3	P266 F267 V329	P266-S327 WeakPolarHBondContact CD-O 3.06Å; F267-S327 PolarHBondContact N-O 3.31Å; F267-S327 PolarHBondContact O-N 3.03Å; F267-S327 VanDerWaalsContact O-O 3.11Å; S327-V329 WeakPolarHBondContact CB-O 3.42Å; S327-V329 WeakPolarHBondContact OG-CG2 3.26Å; S327-V329 PolarHBondContact OG-N 3.28Å; S327-V329 VanDerWaalsContact OG-N 3.07Å; S327-V329 PolarHBondContact OG-O 2.89Å
328	T	94.3	Very high	93.9	Very high	96 Å²	96	39.6 Å²	39.6	59%	0.589	21%	0.21	S	C	*	.	S	Bend	trans	-99.3	-7	170.2	57.2	0	0	0	0	113.1	Y265 P266	Y265-T328 HydrophobicContact CD1-CG2 4.49Å; P266-T328 HydrophobicContact CG-CG2 4.46Å
329	V	94.5	Very high	94.4	Very high	52 Å²	52	34.4 Å²	34.4	32%	0.315	19%	0.19	S	C	.	.			trans	-128.3	146.2	-179	-61.5	0	0	0	0	110.2	S327 T397 D398	S327-V329 WeakPolarHBondContact CB-O 3.42Å; S327-V329 WeakPolarHBondContact OG-CG2 3.26Å; S327-V329 PolarHBondContact OG-N 3.28Å; S327-V329 VanDerWaalsContact OG-N 3.07Å; S327-V329 PolarHBondContact OG-O 2.89Å; V329-T397 WeakPolarHBondContact CA-OG1 3.38Å; V329-T397 WeakPolarHBondContact CB-OG1 3.35Å; V329-D398 HydrophobicContact CB-CB 4.04Å; V329-D398 HydrophobicContact CG2-CB 3.92Å
330	L	93.8	Very high	94.9	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.042	17%	0.167	C	C	.	.			trans	-155.2	160.8	176.8	-93.8	-165.8	0	0	0	110.7	N257 F267 G396 T397 D398 P514 I516	N257-L330 WeakPolarHBondContact OD1-CD1 3.38Å; F267-L330 HydrophobicContact CB-CB 4.37Å; F267-L330 HydrophobicContact CB-CD1 3.47Å; F267-L330 VanDerWaalsContact CB-CD1 3.47Å; F267-L330 HydrophobicContact CB-CG 3.59Å; F267-L330 HydrophobicContact CD1-CD1 4.08Å; F267-L330 HydrophobicContact CD2-CB 4.21Å; F267-L330 HydrophobicContact CD2-CG 4.32Å; F267-L330 HydrophobicContact CG-CB 4.19Å; F267-L330 HydrophobicContact CG-CD1 3.82Å; F267-L330 HydrophobicContact CG-CG 3.94Å; L330-G396 CarbonylContact O-C 3.59Å; L330-G396 WeakPolarHBondContact O-CA 3.34Å; L330-T397 PolarHBondContact N-OG1 3Å; L330-T397 PolarHBondContact O-N 3.06Å; L330-D398 PolarHBondContact O-N 3.41Å; L330-P514 HydrophobicContact CD1-CB 3.98Å; L330-P514 HydrophobicContact CD2-CB 4.14Å; L330-I516 HydrophobicContact CB-CG1 3.68Å
331	A	94.7	Very high	95.4	Very high	3 Å²	3	33 Å²	33	3%	0.025	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-71.8	161.8	166	0	0	0	0	0	111.8	D398 F400 E515 I516	A331-D398 WeakPolarHBondContact CA-O 2.87Å; A331-F400 HydrophobicContact CB-CB 3.69Å; A331-F400 HydrophobicContact CB-CD2 3.92Å; A331-F400 HydrophobicContact CB-CG 4.3Å; A331-E515 CarbonylContact O-C 3.06Å; A331-E515 WeakPolarHBondContact O-CA 3.45Å; A331-I516 PolarHBondContact O-N 3.35Å
332	D	95.7	Very high	95.7	Very high	15 Å²	15	38 Å²	38	8%	0.08	21%	0.21	C	C	.	.			trans	-153.3	109	173.8	-177.1	-1.6	0	0	0	107.6	N394 V395 I516 N520	D332-N394 PolarHBondContact N-OD1 2.86Å; D332-N394 VanDerWaalsContact N-OD1 3.15Å; D332-N394 CarbonylContact O-C 3.07Å; D332-N394 WeakPolarHBondContact O-CA 3.17Å; D332-N394 PolarHBondContact O-OD1 2.86Å; D332-V395 HydrophobicContact CB-CG2 3.83Å; D332-V395 WeakPolarHBondContact O-CG2 3.36Å; D332-V395 PolarHBondContact O-N 3.4Å; D332-V395 WeakPolarHBondContact OD2-CG2 3.27Å; D332-I516 HydrophobicContact CB-CB 4.02Å; D332-I516 HydrophobicContact CB-CD1 4.23Å; D332-I516 HydrophobicContact CB-CG1 4.27Å; D332-N520 PolarHBondContact OD1-ND2 2.99Å; D332-N520 PolarHBondContact OD1-OD1 2.81Å
333	L	95.1	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122	-178	-61.6	-175.1	0	0	0	110.7	I392 H393 N394 F400 F424 I474 L507 E515	L333-I392 HydrophobicContact CB-CG2 4.05Å; L333-I392 HydrophobicContact CD1-CG2 4.33Å; L333-I392 HydrophobicContact CD2-CG2 3.97Å; L333-I392 HydrophobicContact CG-CG2 4.36Å; L333-H393 CarbonylContact C-O 3.58Å; L333-H393 WeakPolarHBondContact CA-O 3.4Å; L333-N394 HydrophobicContact CD2-CB 4.46Å; L333-F400 HydrophobicContact CD1-CD1 4.2Å; L333-F400 HydrophobicContact CD1-CD2 3.63Å; L333-F400 HydrophobicContact CD1-CE1 3.99Å; L333-F400 HydrophobicContact CD1-CE2 3.36Å; L333-F400 HydrophobicContact CD1-CG 4.05Å; L333-F400 HydrophobicContact CD1-CZ 3.56Å; L333-F400 HydrophobicContact CD2-CB 3.94Å; L333-F400 HydrophobicContact CD2-CD1 4.34Å; L333-F400 HydrophobicContact CD2-CD2 3.77Å; L333-F400 HydrophobicContact CD2-CE2 4.39Å; L333-F400 HydrophobicContact CD2-CG 3.74Å; L333-F400 HydrophobicContact CG-CD2 3.58Å; L333-F400 HydrophobicContact CG-CE2 3.78Å; L333-F400 HydrophobicContact CG-CG 4.06Å; L333-F400 HydrophobicContact CG-CZ 4.44Å; L333-F424 HydrophobicContact CD1-CE2 3.66Å; L333-F424 HydrophobicContact CD1-CZ 3.75Å; L333-I474 HydrophobicContact CD2-CD1 4.15Å; L333-L507 HydrophobicContact CB-CD1 4.02Å; L333-E515 WeakPolarHBondContact CA-OE2 3.37Å; L333-E515 WeakPolarHBondContact CB-OE2 3.35Å; L333-E515 WeakPolarHBondContact CG-OE2 3.36Å; L333-E515 PolarHBondContact N-OE2 2.88Å
334	E	96.5	Very high	96.1	Very high	73 Å²	73	39.2 Å²	39.2	34%	0.341	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.8	175.3	-171.3	175.8	110.4	0	0	110.1	H393 V395 N520 L544	E334-H393 PolarHBondContact N-O 3.41Å; E334-H393 PolarHBondContact O-N 2.83Å; E334-V395 HydrophobicContact CB-CG1 4.02Å; E334-V395 HydrophobicContact CB-CG2 4.02Å; E334-N520 HydrophobicContact CG-CB 4.5Å; E334-L544 HydrophobicContact CG-CD1 4.24Å
335	P	96.6	Very high	96.1	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	139	175.4	28.1	-29	0	0	0	111.8	V337 I391 L507 N520 I523 L544	P335-V337 PolarHBondContact O-N 3.26Å; P335-I391 CarbonylContact C-O 3.5Å; P335-I391 WeakPolarHBondContact CA-O 3.45Å; P335-L507 HydrophobicContact CB-CD1 3.89Å; P335-L507 HydrophobicContact CB-CG 4.41Å; P335-L507 HydrophobicContact CG-CD1 3.89Å; P335-L507 HydrophobicContact CG-CG 4.32Å; P335-N520 WeakPolarHBondContact CD-O 3.38Å; P335-I523 HydrophobicContact CB-CD1 3.59Å; P335-I523 HydrophobicContact CB-CG1 4.3Å; P335-I523 HydrophobicContact CG-CD1 3.6Å; P335-I523 HydrophobicContact CG-CG1 3.74Å; P335-L544 HydrophobicContact CG-CD2 3.77Å
336	D	97.4	Very high	96.2	Very high	51 Å²	51	41.1 Å²	41.1	27%	0.273	23%	0.225	S	C	.	.			trans	-73.3	99.2	174.1	-172.7	-24.7	0	0	0	110.9	K338 A339 L340 I391	D336-K338 VanDerWaalsContact C-N 3.28Å; D336-K338 PolarHBondContact O-N 2.89Å; D336-K338 WeakPolarHBondContact OD1-CA 3.29Å; D336-K338 WeakPolarHBondContact OD1-CB 3.34Å; D336-K338 PolarHBondContact OD1-N 3.42Å; D336-A339 HydrophobicContact CB-CB 3.8Å; D336-A339 VanDerWaalsContact CG-CB 3.47Å; D336-A339 PolarHBondContact O-N 3.45Å; D336-A339 PolarHBondContact OD1-N 3.04Å; D336-L340 PolarHBondContact O-N 3.35Å; D336-I391 HydrophobicContact CB-CB 4.03Å; D336-I391 HydrophobicContact CB-CG2 4.31Å; D336-I391 PolarHBondContact N-O 2.87Å
337	V	98.2	Very high	96.1	Very high	30 Å²	30	41.4 Å²	41.4	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-39.1	178	-174.8	0	0	0	0	112.5	P335 E341 I523 C542 L544	P335-V337 PolarHBondContact O-N 3.26Å; V337-E341 WeakPolarHBondContact O-CB 3.5Å; V337-E341 PolarHBondContact O-N 2.83Å; V337-I523 HydrophobicContact CB-CD1 4.42Å; V337-I523 HydrophobicContact CG2-CD1 3.96Å; V337-I523 HydrophobicContact CG2-CG1 4.13Å; V337-C542 HydrophobicContact CG1-CB 3.47Å; V337-C542 VanDerWaalsContact CG1-CB 3.47Å; V337-C542 WeakPolarHBondContact CG1-O 3.23Å; V337-L544 HydrophobicContact CG2-CD1 4.46Å; V337-L544 HydrophobicContact CG2-CD2 3.74Å; V337-L544 HydrophobicContact CG2-CG 3.66Å
338	K	98	Very high	96	Very high	171 Å²	171	43.8 Å²	43.8	74%	0.743	24%	0.237	S	C	*	.	H	α-helix	trans	-75.7	-40.8	-175.9	-68.4	179.7	-177.3	172.5	0	110.6	D336 L340 E341 S342	D336-K338 VanDerWaalsContact C-N 3.28Å; D336-K338 PolarHBondContact O-N 2.89Å; D336-K338 WeakPolarHBondContact OD1-CA 3.29Å; D336-K338 WeakPolarHBondContact OD1-CB 3.34Å; D336-K338 PolarHBondContact OD1-N 3.42Å; K338-L340 VanDerWaalsContact C-N 3.31Å; K338-E341 PolarHBondContact O-N 3.43Å; K338-S342 VanDerWaalsContact O-CB 3.28Å; K338-S342 WeakPolarHBondContact O-CB 3.39Å; K338-S342 PolarHBondContact O-N 2.88Å; K338-S342 PolarHBondContact O-OG 2.87Å
339	A	97.5	Very high	96	Very high	15 Å²	15	40.1 Å²	40.1	12%	0.124	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-45.1	174	0	0	0	0	0	110.3	D336 S343 I391	D336-A339 HydrophobicContact CB-CB 3.8Å; D336-A339 VanDerWaalsContact CG-CB 3.47Å; D336-A339 PolarHBondContact O-N 3.45Å; D336-A339 PolarHBondContact OD1-N 3.04Å; A339-S343 WeakPolarHBondContact O-CB 3.02Å; A339-S343 PolarHBondContact O-N 2.83Å; A339-S343 PolarHBondContact O-OG 2.85Å; A339-I391 HydrophobicContact CB-CB 4.46Å; A339-I391 HydrophobicContact CB-CD1 3.84Å; A339-I391 HydrophobicContact CB-CG1 4.29Å
340	L	98	Very high	96	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-52.3	175.9	-176.6	76.4	0	0	0	112.1	D336 K338 S343 A344 F388 S389 F503 L505 I523 L539	D336-L340 PolarHBondContact O-N 3.35Å; K338-L340 VanDerWaalsContact C-N 3.31Å; L340-S343 PolarHBondContact O-OG 3.27Å; L340-A344 PolarHBondContact O-N 3.4Å; L340-F388 HydrophobicContact CD1-CB 3.96Å; L340-F388 HydrophobicContact CD1-CD2 3.41Å; L340-F388 VanDerWaalsContact CD1-CD2 3.41Å; L340-F388 HydrophobicContact CD1-CE2 4.22Å; L340-F388 HydrophobicContact CD1-CG 3.93Å; L340-S389 WeakPolarHBondContact CA-O 3.46Å; L340-S389 WeakPolarHBondContact CD1-O 3.15Å; L340-F503 HydrophobicContact CD2-CE1 4.2Å; L340-L505 HydrophobicContact CD1-CD1 3.87Å; L340-L505 HydrophobicContact CD2-CD1 4.38Å; L340-I523 HydrophobicContact CB-CD1 4.5Å; L340-I523 HydrophobicContact CD2-CB 4.08Å; L340-I523 HydrophobicContact CD2-CD1 3.72Å; L340-I523 HydrophobicContact CD2-CG2 3.73Å; L340-L539 HydrophobicContact CG-CD1 4.19Å
341	E	98.3	Very high	96.1	Very high	73 Å²	73	37.9 Å²	37.9	34%	0.341	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-46.7	-176.9	-171.9	172	123	0	0	111.9	V337 K338 K541 C542	V337-E341 WeakPolarHBondContact O-CB 3.5Å; V337-E341 PolarHBondContact O-N 2.83Å; K338-E341 PolarHBondContact O-N 3.43Å; E341-K541 PolarHBondContact OE2-N 3.26Å; E341-C542 HydrophobicContact CB-CB 4.18Å; E341-C542 VanDerWaalsContact OE2-CB 3.3Å; E341-C542 WeakPolarHBondContact OE2-CB 3.43Å; E341-C542 PolarHBondContact OE2-N 2.62Å; E341-C542 PolarHBondContact OE2-SG 2.83Å
342	S	97.6	Very high	96	Very high	104 Å²	104	41.6 Å²	41.6	73%	0.727	22%	0.217	S	C	*	.	H	α-helix	trans	-78.9	-24.3	-172.9	62.6	0	0	0	0	114.4	K338	K338-S342 VanDerWaalsContact O-CB 3.28Å; K338-S342 WeakPolarHBondContact O-CB 3.39Å; K338-S342 PolarHBondContact O-N 2.88Å; K338-S342 PolarHBondContact O-OG 2.87Å
343	S	97.4	Very high	95.9	Very high	18 Å²	18	46.6 Å²	46.6	13%	0.126	24%	0.24	C	C	.	.	H	α-helix	trans	-89.1	-5.8	179.2	67.7	0	0	0	0	113.5	A339 L340 Y345 S389 H484	A339-S343 WeakPolarHBondContact O-CB 3.02Å; A339-S343 PolarHBondContact O-N 2.83Å; A339-S343 PolarHBondContact O-OG 2.85Å; L340-S343 PolarHBondContact O-OG 3.27Å; S343-Y345 WeakPolarHBondContact O-CD1 3.34Å; S343-S389 WeakPolarHBondContact OG-CB 3.22Å; S343-S389 PolarHBondContact OG-N 3.17Å; S343-H484 PolarHBondContact O-ND1 3Å
344	A	97.5	Very high	95.8	Very high	15 Å²	15	46.6 Å²	46.6	12%	0.124	24%	0.24	C	C	.	.			trans	-76.6	127.1	-174.9	0	0	0	0	0	112.7	L340 R387 F388 L539	L340-A344 PolarHBondContact O-N 3.4Å; A344-R387 CarbonylContact C-O 3.1Å; A344-R387 WeakPolarHBondContact CA-O 3.41Å; A344-F388 HydrophobicContact CB-CB 4.09Å; A344-L539 HydrophobicContact CB-CB 3.96Å; A344-L539 HydrophobicContact CB-CD1 3.77Å; A344-L539 HydrophobicContact CB-CG 3.66Å
345	Y	94.8	Very high	95.6	Very high	86 Å²	86	49.2 Å²	49.2	34%	0.337	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.3	175.5	68.9	-79.8	0	0	0	110.5	S343 R387 H484	S343-Y345 WeakPolarHBondContact O-CD1 3.34Å; Y345-R387 HydrophobicContact CD1-CB 4.11Å; Y345-R387 HydrophobicContact CE1-CB 3.7Å; Y345-R387 HydrophobicContact CE2-CB 4.28Å; Y345-R387 VanDerWaalsContact CZ-CD 3.49Å; Y345-R387 PolarHBondContact N-O 3.02Å; Y345-R387 PolarHBondContact O-N 2.73Å; Y345-R387 VanDerWaalsContact O-O 3.13Å; Y345-R387 WeakPolarHBondContact OH-CD 3.45Å; Y345-H484 AromaticContact CD1-ND1 3.96Å; Y345-H484 HydrophobicContact CE1-CB 3.94Å; Y345-H484 AromaticContact CE1-CE1 3.87Å; Y345-H484 AromaticContact CE1-CG 3.6Å; Y345-H484 AromaticContact CE1-ND1 3.45Å; Y345-H484 WeakPolarHBondContact CE1-ND1 3.03Å
346	S	94.7	Very high	95.3	Very high	14 Å²	14	50.4 Å²	50.4	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144.3	167.7	60.5	0	0	0	0	114.4	L385 H535 A537	S346-L385 CarbonylContact C-O 3.44Å; S346-L385 WeakPolarHBondContact CA-O 3.48Å; S346-L385 WeakPolarHBondContact CB-O 3.48Å; S346-H535 PolarHBondContact OG-O 3.17Å; S346-A537 PolarHBondContact N-O 3.46Å; S346-A537 PolarHBondContact OG-N 2.73Å
347	S	93.1	Very high	95	Very high	21 Å²	21	48 Å²	48	15%	0.147	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158.5	177.4	65.5	0	0	0	0	110.4	R384 L385 R387	S347-R384 WeakPolarHBondContact O-CA 3.36Å; S347-L385 PolarHBondContact N-O 2.82Å; S347-L385 PolarHBondContact O-N 3.09Å; S347-R387 VanDerWaalsContact OG-CD 3.27Å; S347-R387 WeakPolarHBondContact OG-CD 3.14Å; S347-R387 PolarHBondContact OG-NE 3.27Å
348	M	92.8	Very high	94.6	Very high	69 Å²	69	47.5 Å²	47.5	34%	0.34	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.9	170.9	-68.1	-66	-74	0	0	108.9	M382 R383 R384 H535	M348-M382 HydrophobicContact CB-CE 3.77Å; M348-M382 HydrophobicContact CE-CB 3.79Å; M348-R383 WeakPolarHBondContact CA-O 3.23Å; M348-R384 HydrophobicContact CE-CB 4.46Å; M348-R384 WeakPolarHBondContact SD-CA 3.3Å; M348-R384 HydrophobicContact SD-CB 3.38Å; M348-R384 WeakPolarHBondContact SD-CB 3.26Å; M348-R384 HydrophobicContact SD-CG 3.62Å; M348-H535 WeakPolarHBondContact CG-CE1 3.45Å; M348-H535 WeakPolarHBondContact CG-ND1 3.44Å
349	I	93.6	Very high	94	Very high	19 Å²	19	43.9 Å²	43.9	10%	0.097	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.3	174.4	67.6	170.9	0	0	0	110.4	A354 M382 R383 L385	I349-A354 HydrophobicContact CD1-CB 3.83Å; I349-M382 CarbonylContact O-C 3.47Å; I349-M382 WeakPolarHBondContact O-CA 3.06Å; I349-R383 PolarHBondContact N-O 2.91Å; I349-R383 PolarHBondContact O-N 3.3Å; I349-L385 HydrophobicContact CD1-CD1 3.41Å; I349-L385 VanDerWaalsContact CD1-CD1 3.41Å; I349-L385 HydrophobicContact CD1-CG 4.48Å; I349-L385 HydrophobicContact CG1-CD1 3.71Å; I349-L385 HydrophobicContact CG1-CG 4.3Å
350	P	95	Very high	93.4	Very high	13 Å²	13	43.8 Å²	43.8	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	148.2	165.5	32.1	-33.6	0	0	0	110.4	F352 Q353 H381 M382	P350-F352 HydrophobicContact CB-CD1 3.56Å; P350-F352 HydrophobicContact CB-CE1 3.34Å; P350-F352 HydrophobicContact CB-CG 4.46Å; P350-F352 HydrophobicContact CB-CZ 4.11Å; P350-F352 HydrophobicContact CG-CD1 3.75Å; P350-F352 HydrophobicContact CG-CE1 3.2Å; P350-F352 HydrophobicContact CG-CE2 4.14Å; P350-F352 HydrophobicContact CG-CG 4.4Å; P350-F352 HydrophobicContact CG-CZ 3.42Å; P350-F352 VanDerWaalsContact CG-CZ 3.42Å; P350-F352 PolarHBondContact O-N 2.79Å; P350-F352 VanDerWaalsContact O-N 3.17Å; P350-Q353 HydrophobicContact CG-CB 4.46Å; P350-Q353 HydrophobicContact CG-CG 3.91Å; P350-Q353 PolarHBondContact O-N 3.14Å; P350-H381 WeakPolarHBondContact CA-O 3.33Å; P350-M382 HydrophobicContact CB-SD 3.75Å; P350-M382 HydrophobicContact CG-SD 4.27Å
351	L	94.7	Very high	92.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-58.3	-30.2	-177.7	-78.9	177.3	0	0	0	114.1	Q353 A354 L358 F363 V367 A378 L379 H381 R383	L351-Q353 PolarHBondContact O-N 2.68Å; L351-Q353 VanDerWaalsContact O-N 3.14Å; L351-A354 PolarHBondContact O-N 3.42Å; L351-L358 HydrophobicContact CD2-CD2 4.31Å; L351-F363 HydrophobicContact CD2-CD1 4.1Å; L351-F363 HydrophobicContact CD2-CD2 4.2Å; L351-F363 HydrophobicContact CD2-CE1 3.73Å; L351-F363 HydrophobicContact CD2-CE2 3.83Å; L351-F363 HydrophobicContact CD2-CG 4.32Å; L351-F363 HydrophobicContact CD2-CZ 3.58Å; L351-V367 HydrophobicContact CD1-CG1 3.59Å; L351-V367 HydrophobicContact CD2-CG1 3.8Å; L351-V367 HydrophobicContact CG-CG1 4.39Å; L351-A378 WeakPolarHBondContact CD1-O 3.46Å; L351-L379 HydrophobicContact CB-CD2 4.39Å; L351-L379 PolarHBondContact N-O 2.76Å; L351-H381 HydrophobicContact CD1-CB 4.36Å; L351-H381 PolarHBondContact N-O 3.23Å; L351-H381 VanDerWaalsContact N-O 3.09Å; L351-R383 HydrophobicContact CD1-CG 4.47Å; L351-R383 HydrophobicContact CD2-CG 3.5Å; L351-R383 VanDerWaalsContact CD2-CG 3.5Å; L351-R383 HydrophobicContact CG-CG 3.74Å
352	F	93.7	Very high	92.4	Very high	81 Å²	81	41 Å²	41	36%	0.355	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-62.9	-18.4	177	73	-102.8	0	0	0	114.4	P350 Q355 L379 M380	P350-F352 HydrophobicContact CB-CD1 3.56Å; P350-F352 HydrophobicContact CB-CE1 3.34Å; P350-F352 HydrophobicContact CB-CG 4.46Å; P350-F352 HydrophobicContact CB-CZ 4.11Å; P350-F352 HydrophobicContact CG-CD1 3.75Å; P350-F352 HydrophobicContact CG-CE1 3.2Å; P350-F352 HydrophobicContact CG-CE2 4.14Å; P350-F352 HydrophobicContact CG-CG 4.4Å; P350-F352 HydrophobicContact CG-CZ 3.42Å; P350-F352 VanDerWaalsContact CG-CZ 3.42Å; P350-F352 PolarHBondContact O-N 2.79Å; P350-F352 VanDerWaalsContact O-N 3.17Å; F352-Q355 WeakPolarHBondContact O-CG 3.49Å; F352-Q355 PolarHBondContact O-NE2 3.5Å; F352-L379 HydrophobicContact CB-CB 4.16Å; F352-L379 WeakPolarHBondContact CD1-O 3.09Å; F352-L379 PolarHBondContact N-O 3.48Å; F352-M380 HydrophobicContact CD1-SD 3.97Å; F352-M380 HydrophobicContact CE1-SD 4.13Å
353	Q	94.2	Very high	92.1	Very high	120 Å²	120	36.1 Å²	36.1	56%	0.561	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-85.4	-12.1	175	-72.1	-179.6	-1	0	0	113	P350 L351	P350-Q353 HydrophobicContact CG-CB 4.46Å; P350-Q353 HydrophobicContact CG-CG 3.91Å; P350-Q353 PolarHBondContact O-N 3.14Å; L351-Q353 PolarHBondContact O-N 2.68Å; L351-Q353 VanDerWaalsContact O-N 3.14Å
354	A	92.9	Very high	91.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.			trans	-107.4	41.9	-174	0	0	0	0	0	111.4	I349 L351 A357 L358 F363	I349-A354 HydrophobicContact CD1-CB 3.83Å; L351-A354 PolarHBondContact O-N 3.42Å; A354-A357 HydrophobicContact CB-CB 4.29Å; A354-A357 PolarHBondContact O-N 2.88Å; A354-L358 WeakPolarHBondContact O-CB 3.33Å; A354-L358 VanDerWaalsContact O-CG 3.24Å; A354-L358 WeakPolarHBondContact O-CG 3.4Å; A354-L358 PolarHBondContact O-N 2.85Å; A354-F363 HydrophobicContact CB-CE2 3.57Å; A354-F363 HydrophobicContact CB-CZ 3.71Å
355	Q	90.7	Very high	90.7	Very high	128 Å²	128	38 Å²	38	60%	0.598	19%	0.19	S	C	*	.	H	α-helix	trans	-62	-48.4	-171.7	-64.7	-177.1	-3.8	0	0	112	F352 L358 E359	F352-Q355 WeakPolarHBondContact O-CG 3.49Å; F352-Q355 PolarHBondContact O-NE2 3.5Å; Q355-L358 WeakPolarHBondContact O-CB 3.45Å; Q355-L358 PolarHBondContact O-N 3.06Å; Q355-L358 VanDerWaalsContact O-N 3.15Å; Q355-E359 WeakPolarHBondContact O-CG 3.35Å; Q355-E359 PolarHBondContact O-N 2.91Å
356	C	90.6	Very high	90.1	Very high	27 Å²	27	36.4 Å²	36.4	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-43.7	178.3	-60.6	0	0	0	0	111.4	L358 E359 E360 C414 D487	C356-L358 PolarHBondContact O-N 2.93Å; C356-E359 WeakPolarHBondContact O-CB 3.47Å; C356-E359 PolarHBondContact O-N 2.82Å; C356-E359 VanDerWaalsContact O-N 3.1Å; C356-E360 WeakPolarHBondContact O-CB 3.48Å; C356-E360 WeakPolarHBondContact O-CG 2.96Å; C356-E360 PolarHBondContact O-N 2.84Å; C356-C414 VanDerWaalsContact CA-SG 3.56Å; C356-C414 HydrophobicContact CB-CB 3.57Å; C356-C414 WeakPolarHBondContact CB-SG 3.33Å; C356-C414 WeakPolarHBondContact SG-CB 3.47Å; C356-C414 CovalentContact SG-SG 2.04Å; C356-C414 PolarHBondContact SG-SG 2.92Å; C356-D487 WeakPolarHBondContact CB-OD2 3.49Å
357	A	91.6	Very high	89.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-27.6	173.7	0	0	0	0	0	114.1	A354 N361 C362 F363 D487 W490	A354-A357 HydrophobicContact CB-CB 4.29Å; A354-A357 PolarHBondContact O-N 2.88Å; A357-N361 PolarHBondContact O-N 3.43Å; A357-C362 HydrophobicContact CB-CB 4.22Å; A357-C362 WeakPolarHBondContact O-CB 3.45Å; A357-C362 PolarHBondContact O-N 2.89Å; A357-F363 HydrophobicContact CB-CE2 4.13Å; A357-D487 HydrophobicContact CB-CB 4.17Å; A357-W490 HydrophobicContact CB-CH2 4.39Å; A357-W490 HydrophobicContact CB-CZ2 3.64Å
358	L	90.1	Very high	89.6	Confident	21 Å²	21	36.5 Å²	36.5	11%	0.11	19%	0.187	C	C	.	.	H	α-helix	trans	-71.8	-44.1	172.5	-77.1	168.2	0	0	0	111.3	L351 A354 Q355 C356 E360 N361 F363 V367 Y368 I371 L379	L351-L358 HydrophobicContact CD2-CD2 4.31Å; A354-L358 WeakPolarHBondContact O-CB 3.33Å; A354-L358 VanDerWaalsContact O-CG 3.24Å; A354-L358 WeakPolarHBondContact O-CG 3.4Å; A354-L358 PolarHBondContact O-N 2.85Å; Q355-L358 WeakPolarHBondContact O-CB 3.45Å; Q355-L358 PolarHBondContact O-N 3.06Å; Q355-L358 VanDerWaalsContact O-N 3.15Å; C356-L358 PolarHBondContact O-N 2.93Å; L358-E360 PolarHBondContact O-N 2.82Å; L358-N361 PolarHBondContact O-N 3.46Å; L358-F363 HydrophobicContact CD2-CD2 3.64Å; L358-F363 HydrophobicContact CD2-CE2 4.12Å; L358-F363 HydrophobicContact CD2-CG 4.42Å; L358-F363 HydrophobicContact CG-CD2 4.07Å; L358-F363 HydrophobicContact CG-CE2 4.12Å; L358-V367 HydrophobicContact CD2-CG1 3.85Å; L358-Y368 WeakPolarHBondContact CA-OH 3.39Å; L358-Y368 HydrophobicContact CD2-CE1 4.01Å; L358-Y368 VanDerWaalsContact O-CE1 3.3Å; L358-Y368 WeakPolarHBondContact O-CE1 3.41Å; L358-Y368 PolarHBondContact O-OH 3.19Å; L358-I371 HydrophobicContact CD1-CD1 4.16Å; L358-I371 HydrophobicContact CD2-CD1 3.61Å; L358-L379 HydrophobicContact CD1-CD2 4.14Å
359	E	85.4	Confident	89.2	Confident	95 Å²	95	36.1 Å²	36.1	44%	0.444	19%	0.186	S	C	.	.	H	α-helix	trans	-60.2	-30.8	174.6	-70.6	175.7	-172.5	0	0	112	Q355 C356	Q355-E359 WeakPolarHBondContact O-CG 3.35Å; Q355-E359 PolarHBondContact O-N 2.91Å; C356-E359 WeakPolarHBondContact O-CB 3.47Å; C356-E359 PolarHBondContact O-N 2.82Å; C356-E359 VanDerWaalsContact O-N 3.1Å
360	E	85.4	Confident	88.9	Confident	13 Å²	13	38.3 Å²	38.3	6%	0.061	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	9	-176	-65.2	173.4	161.4	0	0	114.6	C356 L358 C362 H412 H415 H419 A443 S444 C488	C356-E360 WeakPolarHBondContact O-CB 3.48Å; C356-E360 WeakPolarHBondContact O-CG 2.96Å; C356-E360 PolarHBondContact O-N 2.84Å; L358-E360 PolarHBondContact O-N 2.82Å; E360-C362 VanDerWaalsContact C-N 3.31Å; E360-C362 PolarHBondContact O-N 3.45Å; E360-C362 PolarHBondContact O-SG 2.79Å; E360-H412 VanDerWaalsContact CG-CE1 3.49Å; E360-H412 WeakPolarHBondContact CG-CE1 3.44Å; E360-H412 WeakPolarHBondContact CG-NE2 3.17Å; E360-H412 IonicContact OE1-CD2 3.85Å; E360-H412 IonicContact OE1-CE1 2.88Å; E360-H412 PolarHBondContact OE1-CE1 3.06Å; E360-H412 IonicContact OE1-CG 3.59Å; E360-H412 IonicContact OE1-ND1 2.94Å; E360-H412 PolarHBondContact OE1-ND1 3.35Å; E360-H412 IonicContact OE1-NE2 3.47Å; E360-H412 PolarHBondContact OE1-NE2 3.14Å; E360-H415 VanDerWaalsContact CD-CE1 3.41Å; E360-H415 IonicContact OE1-CE1 3.73Å; E360-H415 PolarHBondContact OE1-CE1 2.96Å; E360-H415 IonicContact OE1-ND1 3.86Å; E360-H415 PolarHBondContact OE1-ND1 2.8Å; E360-H415 IonicContact OE1-NE2 3.2Å; E360-H415 IonicContact OE2-CE1 2.9Å; E360-H415 PolarHBondContact OE2-CE1 2.82Å; E360-H415 VanDerWaalsContact OE2-CE1 3.31Å; E360-H419 IonicContact OE1-CE1 2.7Å; E360-A443 HydrophobicContact CB-CB 3.95Å; E360-S444 WeakPolarHBondContact CG-OG 3.43Å; E360-S444 WeakPolarHBondContact OE1-CB 3.37Å; E360-S444 PolarHBondContact OE1-OG 2.97Å; E360-S444 WeakPolarHBondContact OE2-CB 3.3Å; E360-S444 PolarHBondContact OE2-OG 3.24Å; E360-C488 PolarHBondContact OE2-SG 3.46Å
361	N	85.8	Confident	88.6	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.032	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	32.6	176.2	-60.7	-57.9	0	0	0	115.4	L114 L130 A357 L358 Y368 H441	L114-N361 WeakPolarHBondContact CD1-ND2 3.47Å; L114-N361 WeakPolarHBondContact CD1-OD1 3.23Å; L114-N361 VanDerWaalsContact CD2-ND2 3.3Å; L114-N361 WeakPolarHBondContact CD2-ND2 3.36Å; L130-N361 PolarHBondContact O-ND2 2.76Å; A357-N361 PolarHBondContact O-N 3.43Å; L358-N361 PolarHBondContact O-N 3.46Å; N361-Y368 WeakPolarHBondContact CA-OH 3.4Å; N361-H441 PolarHBondContact O-CE1 2.99Å
362	C	89.4	Confident	88.1	Confident	10 Å²	10	42.7 Å²	42.7	7%	0.068	22%	0.22	C	C	.	.			trans	-83.8	-11.9	-175.3	-57.4	0	0	0	0	114.2	A357 E360 A443 C488 W490	A357-C362 HydrophobicContact CB-CB 4.22Å; A357-C362 WeakPolarHBondContact O-CB 3.45Å; A357-C362 PolarHBondContact O-N 2.89Å; E360-C362 VanDerWaalsContact C-N 3.31Å; E360-C362 PolarHBondContact O-N 3.45Å; E360-C362 PolarHBondContact O-SG 2.79Å; C362-A443 WeakPolarHBondContact SG-CB 3.5Å; C362-C488 HydrophobicContact CB-CB 3.75Å; C362-C488 WeakPolarHBondContact CB-SG 3.47Å; C362-C488 WeakPolarHBondContact SG-CB 3.42Å; C362-C488 CovalentContact SG-SG 1.99Å; C362-C488 PolarHBondContact SG-SG 3.24Å; C362-W490 HydrophobicContact CB-CH2 4.09Å; C362-W490 HydrophobicContact CB-CZ2 4.36Å
363	F	90.2	Very high	87.7	Confident	2 Å²	2	49 Å²	49	1%	0.009	24%	0.242	C	C	.	.	S	Bend	trans	-91.7	158.7	175.8	-76.1	-78.6	0	0	0	112.4	L351 A354 A357 L358 V367 Y368 R383 L385 W490 D492	L351-F363 HydrophobicContact CD2-CD1 4.1Å; L351-F363 HydrophobicContact CD2-CD2 4.2Å; L351-F363 HydrophobicContact CD2-CE1 3.73Å; L351-F363 HydrophobicContact CD2-CE2 3.83Å; L351-F363 HydrophobicContact CD2-CG 4.32Å; L351-F363 HydrophobicContact CD2-CZ 3.58Å; A354-F363 HydrophobicContact CB-CE2 3.57Å; A354-F363 HydrophobicContact CB-CZ 3.71Å; A357-F363 HydrophobicContact CB-CE2 4.13Å; L358-F363 HydrophobicContact CD2-CD2 3.64Å; L358-F363 HydrophobicContact CD2-CE2 4.12Å; L358-F363 HydrophobicContact CD2-CG 4.42Å; L358-F363 HydrophobicContact CG-CD2 4.07Å; L358-F363 HydrophobicContact CG-CE2 4.12Å; F363-V367 HydrophobicContact CB-CB 3.81Å; F363-V367 HydrophobicContact CB-CG1 3.89Å; F363-V367 HydrophobicContact CB-CG2 3.98Å; F363-V367 HydrophobicContact CD1-CG2 4.1Å; F363-V367 HydrophobicContact CG-CB 4.4Å; F363-V367 HydrophobicContact CG-CG1 4.1Å; F363-V367 HydrophobicContact CG-CG2 4.3Å; F363-Y368 HydrophobicContact CB-CE2 3.98Å; F363-Y368 WeakPolarHBondContact O-CE2 3.13Å; F363-R383 HydrophobicContact CD1-CG 4.44Å; F363-R383 HydrophobicContact CE1-CB 4.03Å; F363-R383 HydrophobicContact CE1-CG 3.79Å; F363-R383 HydrophobicContact CZ-CG 4.49Å; F363-L385 HydrophobicContact CE1-CD2 4.02Å; F363-W490 AromaticContact CD1-CH2 3.73Å; F363-W490 HydrophobicContact CD1-CH2 3.73Å; F363-W490 HydrophobicContact CD1-CZ3 4.06Å; F363-W490 AromaticContact CD2-CH2 3.81Å; F363-W490 HydrophobicContact CD2-CH2 3.81Å; F363-W490 AromaticContact CE1-CH2 3.41Å; F363-W490 HydrophobicContact CE1-CH2 3.41Å; F363-W490 VanDerWaalsContact CE1-CH2 3.41Å; F363-W490 HydrophobicContact CE1-CZ2 4.24Å; F363-W490 AromaticContact CE1-CZ3 3.88Å; F363-W490 HydrophobicContact CE1-CZ3 3.88Å; F363-W490 AromaticContact CE2-CH2 3.51Å; F363-W490 HydrophobicContact CE2-CH2 3.51Å; F363-W490 AromaticContact CE2-CZ2 3.87Å; F363-W490 HydrophobicContact CE2-CZ2 3.87Å; F363-W490 AromaticContact CG-CH2 3.92Å; F363-W490 HydrophobicContact CG-CH2 3.92Å; F363-W490 AromaticContact CZ-CH2 3.3Å; F363-W490 HydrophobicContact CZ-CH2 3.3Å; F363-W490 AromaticContact CZ-CZ2 3.72Å; F363-W490 HydrophobicContact CZ-CZ2 3.72Å; F363-W490 HydrophobicContact CZ-CZ3 4.2Å; F363-D492 HydrophobicContact CD1-CB 4.45Å
364	P	84.5	Confident	87.5	Confident	34 Å²	34	47 Å²	47	22%	0.221	24%	0.235	C	C	.	.			trans	-66.2	157.8	173.4	26.9	-34.1	0	0	0	111.9	S366 V367	P364-S366 PolarHBondContact O-N 2.85Å; P364-V367 HydrophobicContact CG-CG2 4.17Å; P364-V367 WeakPolarHBondContact O-CB 3.39Å; P364-V367 PolarHBondContact O-N 3.47Å
365	P	80.9	Confident	87.3	Confident	38 Å²	38	54.2 Å²	54.2	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-25.3	-177	-29.5	40.4	0	0	0	114.6	H128 V367 Y368 N369	H128-P365 HydrophobicContact CB-CB 4.43Å; H128-P365 HydrophobicContact CB-CG 3.39Å; H128-P365 WeakPolarHBondContact ND1-CG 3.47Å; P365-V367 PolarHBondContact O-N 2.78Å; P365-Y368 PolarHBondContact O-N 3Å; P365-N369 WeakPolarHBondContact O-CB 3.17Å; P365-N369 PolarHBondContact O-N 3.2Å; P365-N369 PolarHBondContact O-ND2 3.43Å; P365-N369 VanDerWaalsContact O-ND2 3.14Å
366	S	83.9	Confident	87.3	Confident	52 Å²	52	55.8 Å²	55.8	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-56.8	-35.7	173.7	52.6	0	0	0	0	112.1	P364 L370	P364-S366 PolarHBondContact O-N 2.85Å; S366-L370 VanDerWaalsContact O-CG 3.26Å; S366-L370 WeakPolarHBondContact O-CG 3.07Å; S366-L370 PolarHBondContact O-N 3.14Å
367	V	90	Very high	87.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.6	-47.6	178.2	168.7	0	0	0	0	111.1	L351 L358 F363 P364 P365 N369 L370 I371	L351-V367 HydrophobicContact CD1-CG1 3.59Å; L351-V367 HydrophobicContact CD2-CG1 3.8Å; L351-V367 HydrophobicContact CG-CG1 4.39Å; L358-V367 HydrophobicContact CD2-CG1 3.85Å; F363-V367 HydrophobicContact CB-CB 3.81Å; F363-V367 HydrophobicContact CB-CG1 3.89Å; F363-V367 HydrophobicContact CB-CG2 3.98Å; F363-V367 HydrophobicContact CD1-CG2 4.1Å; F363-V367 HydrophobicContact CG-CB 4.4Å; F363-V367 HydrophobicContact CG-CG1 4.1Å; F363-V367 HydrophobicContact CG-CG2 4.3Å; P364-V367 HydrophobicContact CG-CG2 4.17Å; P364-V367 WeakPolarHBondContact O-CB 3.39Å; P364-V367 PolarHBondContact O-N 3.47Å; P365-V367 PolarHBondContact O-N 2.78Å; V367-N369 VanDerWaalsContact C-N 3.32Å; V367-N369 PolarHBondContact O-N 3.22Å; V367-L370 WeakPolarHBondContact O-CB 3.28Å; V367-L370 PolarHBondContact O-N 2.94Å; V367-L370 VanDerWaalsContact O-N 3.12Å; V367-I371 HydrophobicContact CG1-CD1 4.03Å; V367-I371 WeakPolarHBondContact O-CG1 3.41Å; V367-I371 PolarHBondContact O-N 3.14Å
368	Y	86	Confident	87.3	Confident	38 Å²	38	60.6 Å²	60.6	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-37.8	177.7	-62.6	-76.6	0	0	0	112.2	L358 N361 F363 P365 L370 I371 N372	L358-Y368 WeakPolarHBondContact CA-OH 3.39Å; L358-Y368 HydrophobicContact CD2-CE1 4.01Å; L358-Y368 VanDerWaalsContact O-CE1 3.3Å; L358-Y368 WeakPolarHBondContact O-CE1 3.41Å; L358-Y368 PolarHBondContact O-OH 3.19Å; N361-Y368 WeakPolarHBondContact CA-OH 3.4Å; F363-Y368 HydrophobicContact CB-CE2 3.98Å; F363-Y368 WeakPolarHBondContact O-CE2 3.13Å; P365-Y368 PolarHBondContact O-N 3Å; Y368-L370 VanDerWaalsContact C-N 3.32Å; Y368-L370 PolarHBondContact O-N 2.8Å; Y368-I371 PolarHBondContact O-N 2.88Å; Y368-N372 WeakPolarHBondContact O-CB 3.33Å; Y368-N372 PolarHBondContact O-N 3.49Å
369	N	83.9	Confident	87.5	Confident	60 Å²	60	61.2 Å²	61.2	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-37.1	172.8	-74.7	-36	0	0	0	112.7	P365 V367 R373	P365-N369 WeakPolarHBondContact O-CB 3.17Å; P365-N369 PolarHBondContact O-N 3.2Å; P365-N369 PolarHBondContact O-ND2 3.43Å; P365-N369 VanDerWaalsContact O-ND2 3.14Å; V367-N369 VanDerWaalsContact C-N 3.32Å; V367-N369 PolarHBondContact O-N 3.22Å; N369-R373 VanDerWaalsContact O-CG 3.32Å; N369-R373 WeakPolarHBondContact O-CG 3.38Å; N369-R373 PolarHBondContact O-N 2.76Å
370	L	87.2	Confident	87.9	Confident	65 Å²	65	62.6 Å²	62.6	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-45.8	174.2	-73.9	163.7	0	0	0	111.2	S366 V367 Y368 N372 R373 N374 A378	S366-L370 VanDerWaalsContact O-CG 3.26Å; S366-L370 WeakPolarHBondContact O-CG 3.07Å; S366-L370 PolarHBondContact O-N 3.14Å; V367-L370 WeakPolarHBondContact O-CB 3.28Å; V367-L370 PolarHBondContact O-N 2.94Å; V367-L370 VanDerWaalsContact O-N 3.12Å; Y368-L370 VanDerWaalsContact C-N 3.32Å; Y368-L370 PolarHBondContact O-N 2.8Å; L370-N372 VanDerWaalsContact C-N 3.35Å; L370-N372 PolarHBondContact O-N 2.87Å; L370-R373 PolarHBondContact O-N 3.14Å; L370-N374 PolarHBondContact O-N 2.87Å; L370-N374 VanDerWaalsContact O-N 3.08Å; L370-A378 HydrophobicContact CB-CB 4.05Å
371	I	88.6	Confident	88.2	Confident	19 Å²	19	66 Å²	66	10%	0.097	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-44.2	178.3	-68	168.9	0	0	0	111.1	L358 V367 Y368 R373 N374 R375 A378	L358-I371 HydrophobicContact CD1-CD1 4.16Å; L358-I371 HydrophobicContact CD2-CD1 3.61Å; V367-I371 HydrophobicContact CG1-CD1 4.03Å; V367-I371 WeakPolarHBondContact O-CG1 3.41Å; V367-I371 PolarHBondContact O-N 3.14Å; Y368-I371 PolarHBondContact O-N 2.88Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 2.67Å; I371-N374 CarbonylContact O-C 3.58Å; I371-N374 PolarHBondContact O-N 3.47Å; I371-R375 HydrophobicContact CG2-CB 4.35Å; I371-R375 HydrophobicContact CG2-CG 4.18Å; I371-R375 VanDerWaalsContact O-CA 3.29Å; I371-R375 WeakPolarHBondContact O-CA 3.41Å; I371-R375 PolarHBondContact O-N 3.27Å; I371-A378 HydrophobicContact CB-CB 4.33Å; I371-A378 HydrophobicContact CG1-CB 3.79Å
372	N	84.1	Confident	88.6	Confident	87 Å²	87	69.7 Å²	69.7	47%	0.465	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-31.9	178.8	-75.5	-10.1	0	0	0	113	Y368 L370	Y368-N372 WeakPolarHBondContact O-CB 3.33Å; Y368-N372 PolarHBondContact O-N 3.49Å; L370-N372 VanDerWaalsContact C-N 3.35Å; L370-N372 PolarHBondContact O-N 2.87Å
373	R	86.2	Confident	88.8	Confident	214 Å²	214	69.5 Å²	69.5	81%	0.808	34%	0.336	S	S	*	.	H	α-helix	trans	-74.8	-44.8	177.7	-73.9	174.5	-177.6	-172.9	1.8	112.4	N369 L370 I371	N369-R373 VanDerWaalsContact O-CG 3.32Å; N369-R373 WeakPolarHBondContact O-CG 3.38Å; N369-R373 PolarHBondContact O-N 2.76Å; L370-R373 PolarHBondContact O-N 3.14Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 2.67Å
374	N	90.2	Very high	88.9	Confident	78 Å²	78	70.2 Å²	70.2	42%	0.417	34%	0.339	S	S	.	.			trans	-158	92.7	178.4	-173.1	-28.2	0	0	0	110	L370 I371 H376 L377 A378	L370-N374 PolarHBondContact O-N 2.87Å; L370-N374 VanDerWaalsContact O-N 3.08Å; I371-N374 CarbonylContact O-C 3.58Å; I371-N374 PolarHBondContact O-N 3.47Å; N374-H376 PolarHBondContact O-N 3.12Å; N374-H376 PolarHBondContact OD1-N 3.34Å; N374-L377 HydrophobicContact CB-CB 4.17Å; N374-L377 PolarHBondContact O-N 3.31Å; N374-L377 PolarHBondContact OD1-N 2.67Å; N374-L377 VanDerWaalsContact OD1-N 3.13Å; N374-A378 VanDerWaalsContact O-CB 3.24Å; N374-A378 WeakPolarHBondContact O-CB 3.28Å; N374-A378 PolarHBondContact O-N 3.04Å
375	R	88.7	Confident	89.4	Confident	152 Å²	152	68.6 Å²	68.6	57%	0.574	33%	0.328	S	S	*	.	H	α-helix	trans	-55	-47.5	-176.6	-178.4	175.7	178.6	103.1	-2	112.5	I371 L377 A378 L379	I371-R375 HydrophobicContact CG2-CB 4.35Å; I371-R375 HydrophobicContact CG2-CG 4.18Å; I371-R375 VanDerWaalsContact O-CA 3.29Å; I371-R375 WeakPolarHBondContact O-CA 3.41Å; I371-R375 PolarHBondContact O-N 3.27Å; R375-L377 PolarHBondContact O-N 3.25Å; R375-A378 PolarHBondContact O-N 3.33Å; R375-L379 HydrophobicContact CG-CD1 3.87Å; R375-L379 HydrophobicContact CG-CG 4.29Å; R375-L379 WeakPolarHBondContact O-CB 3.49Å; R375-L379 VanDerWaalsContact O-CG 3.24Å; R375-L379 WeakPolarHBondContact O-CG 3.29Å; R375-L379 PolarHBondContact O-N 2.88Å
376	H	90.7	Very high	90.1	Very high	160 Å²	160	66.8 Å²	66.8	74%	0.741	32%	0.317	S	S	*	.	H	α-helix	trans	-62.3	-43.2	-176.6	-63.8	-62.7	0	0	0	112.4	N374	N374-H376 PolarHBondContact O-N 3.12Å; N374-H376 PolarHBondContact OD1-N 3.34Å
377	L	91.4	Very high	90.7	Very high	122 Å²	122	65.5 Å²	65.5	64%	0.639	30%	0.304	S	S	*	.	H	α-helix	trans	-72.5	-42.5	178.2	-176.6	62.6	0	0	0	111.7	N374 R375 L379 M380	N374-L377 HydrophobicContact CB-CB 4.17Å; N374-L377 PolarHBondContact O-N 3.31Å; N374-L377 PolarHBondContact OD1-N 2.67Å; N374-L377 VanDerWaalsContact OD1-N 3.13Å; R375-L377 PolarHBondContact O-N 3.25Å; L377-L379 VanDerWaalsContact C-N 3.34Å; L377-L379 PolarHBondContact O-N 3.02Å; L377-M380 PolarHBondContact O-N 3.41Å
378	A	91.2	Very high	91.1	Very high	7 Å²	7	65.5 Å²	65.5	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-42.2	-178.4	0	0	0	0	0	111.8	L351 L370 I371 N374 R375 M380 H381	L351-A378 WeakPolarHBondContact CD1-O 3.46Å; L370-A378 HydrophobicContact CB-CB 4.05Å; I371-A378 HydrophobicContact CB-CB 4.33Å; I371-A378 HydrophobicContact CG1-CB 3.79Å; N374-A378 VanDerWaalsContact O-CB 3.24Å; N374-A378 WeakPolarHBondContact O-CB 3.28Å; N374-A378 PolarHBondContact O-N 3.04Å; R375-A378 PolarHBondContact O-N 3.33Å; A378-M380 PolarHBondContact O-N 3.33Å; A378-M380 VanDerWaalsContact O-N 3.1Å; A378-H381 WeakPolarHBondContact O-CB 3.4Å; A378-H381 PolarHBondContact O-N 2.9Å
379	L	93.2	Very high	91.6	Very high	33 Å²	33	64 Å²	64	17%	0.173	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-22.3	179.7	-74.3	177.2	0	0	0	113.7	L351 F352 L358 R375 L377	L351-L379 HydrophobicContact CB-CD2 4.39Å; L351-L379 PolarHBondContact N-O 2.76Å; F352-L379 HydrophobicContact CB-CB 4.16Å; F352-L379 WeakPolarHBondContact CD1-O 3.09Å; F352-L379 PolarHBondContact N-O 3.48Å; L358-L379 HydrophobicContact CD1-CD2 4.14Å; R375-L379 HydrophobicContact CG-CD1 3.87Å; R375-L379 HydrophobicContact CG-CG 4.29Å; R375-L379 WeakPolarHBondContact O-CB 3.49Å; R375-L379 VanDerWaalsContact O-CG 3.24Å; R375-L379 WeakPolarHBondContact O-CG 3.29Å; R375-L379 PolarHBondContact O-N 2.88Å; L377-L379 VanDerWaalsContact C-N 3.34Å; L377-L379 PolarHBondContact O-N 3.02Å
380	M	93.5	Very high	92.1	Very high	124 Å²	124	61.3 Å²	61.3	61%	0.611	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-7	175.7	-60	-58.6	-69	0	0	113.4	F352 L377 A378 M382	F352-M380 HydrophobicContact CD1-SD 3.97Å; F352-M380 HydrophobicContact CE1-SD 4.13Å; L377-M380 PolarHBondContact O-N 3.41Å; A378-M380 PolarHBondContact O-N 3.33Å; A378-M380 VanDerWaalsContact O-N 3.1Å; M380-M382 PolarHBondContact O-N 3.15Å
381	H	92.7	Very high	92.5	Very high	86 Å²	86	59.3 Å²	59.3	40%	0.398	27%	0.274	S	S	.	.			trans	-69.6	130	-179.8	-159.2	-71.6	0	0	0	110.5	P350 L351 A378	P350-H381 WeakPolarHBondContact CA-O 3.33Å; L351-H381 HydrophobicContact CD1-CB 4.36Å; L351-H381 PolarHBondContact N-O 3.23Å; L351-H381 VanDerWaalsContact N-O 3.09Å; A378-H381 WeakPolarHBondContact O-CB 3.4Å; A378-H381 PolarHBondContact O-N 2.9Å
382	M	93.3	Very high	92.8	Very high	83 Å²	83	58.4 Å²	58.4	41%	0.409	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.2	175.2	-62.1	-63.5	-64.9	0	0	110.2	M348 I349 P350 M380	M348-M382 HydrophobicContact CB-CE 3.77Å; M348-M382 HydrophobicContact CE-CB 3.79Å; I349-M382 CarbonylContact O-C 3.47Å; I349-M382 WeakPolarHBondContact O-CA 3.06Å; P350-M382 HydrophobicContact CB-SD 3.75Å; P350-M382 HydrophobicContact CG-SD 4.27Å; M380-M382 PolarHBondContact O-N 3.15Å
383	R	94	Very high	93.5	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.019	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.8	174.4	-53.5	-55	-62.2	171.4	2.1	109.5	M348 I349 L351 F363 L385 D492 T494 D495	M348-R383 WeakPolarHBondContact CA-O 3.23Å; I349-R383 PolarHBondContact N-O 2.91Å; I349-R383 PolarHBondContact O-N 3.3Å; L351-R383 HydrophobicContact CD1-CG 4.47Å; L351-R383 HydrophobicContact CD2-CG 3.5Å; L351-R383 VanDerWaalsContact CD2-CG 3.5Å; L351-R383 HydrophobicContact CG-CG 3.74Å; F363-R383 HydrophobicContact CD1-CG 4.44Å; F363-R383 HydrophobicContact CE1-CB 4.03Å; F363-R383 HydrophobicContact CE1-CG 3.79Å; F363-R383 HydrophobicContact CZ-CG 4.49Å; R383-L385 HydrophobicContact CB-CD2 4.14Å; R383-D492 IonicContact CZ-OD1 3.98Å; R383-D492 IonicContact CZ-OD2 3.22Å; R383-D492 IonicContact NE-OD1 3.54Å; R383-D492 IonicContact NE-OD2 3.63Å; R383-D492 PolarHBondContact NE-OD2 3.28Å; R383-D492 IonicContact NH2-OD1 3.55Å; R383-D492 PolarHBondContact NH2-OD1 2.62Å; R383-D492 IonicContact NH2-OD2 3.76Å; R383-D492 PolarHBondContact NH2-OD2 3.44Å; R383-T494 WeakPolarHBondContact CA-OG1 3.48Å; R383-T494 PolarHBondContact NE-OG1 3.19Å; R383-T494 PolarHBondContact NH2-OG1 3.13Å; R383-D495 IonicContact NH2-OD2 2.73Å
384	R	93.5	Very high	94	Very high	18 Å²	18	45.5 Å²	45.5	7%	0.068	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.2	175.1	-168.8	-177.1	176.1	177.7	2.5	109.3	S347 M348 I493 T494 H534 Y536	S347-R384 WeakPolarHBondContact O-CA 3.36Å; M348-R384 HydrophobicContact CE-CB 4.46Å; M348-R384 WeakPolarHBondContact SD-CA 3.3Å; M348-R384 HydrophobicContact SD-CB 3.38Å; M348-R384 WeakPolarHBondContact SD-CB 3.26Å; M348-R384 HydrophobicContact SD-CG 3.62Å; R384-I493 HydrophobicContact CB-CG1 4.24Å; R384-I493 HydrophobicContact CG-CD1 4.07Å; R384-I493 HydrophobicContact CG-CG1 3.84Å; R384-I493 WeakPolarHBondContact O-CG1 3.46Å; R384-I493 PolarHBondContact O-N 3.07Å; R384-T494 PolarHBondContact N-OG1 3.05Å; R384-T494 PolarHBondContact O-N 3.33Å; R384-H534 PolarHBondContact NE-O 2.97Å; R384-H534 VanDerWaalsContact NE-O 3.17Å; R384-H534 PolarHBondContact NH1-O 3.12Å; R384-Y536 PolarHBondContact NH2-O 2.7Å
385	L	94.8	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.2	-176	-53.2	-175.7	0	0	0	110.1	S346 S347 I349 F363 R383 R387 W490 D492	S346-L385 CarbonylContact C-O 3.44Å; S346-L385 WeakPolarHBondContact CA-O 3.48Å; S346-L385 WeakPolarHBondContact CB-O 3.48Å; S347-L385 PolarHBondContact N-O 2.82Å; S347-L385 PolarHBondContact O-N 3.09Å; I349-L385 HydrophobicContact CD1-CD1 3.41Å; I349-L385 VanDerWaalsContact CD1-CD1 3.41Å; I349-L385 HydrophobicContact CD1-CG 4.48Å; I349-L385 HydrophobicContact CG1-CD1 3.71Å; I349-L385 HydrophobicContact CG1-CG 4.3Å; F363-L385 HydrophobicContact CE1-CD2 4.02Å; R383-L385 HydrophobicContact CB-CD2 4.14Å; L385-R387 HydrophobicContact CB-CG 4.38Å; L385-R387 PolarHBondContact O-N 3.2Å; L385-W490 HydrophobicContact CB-CB 4.26Å; L385-W490 HydrophobicContact CB-CD2 4.37Å; L385-W490 HydrophobicContact CB-CE3 4.42Å; L385-W490 HydrophobicContact CB-CG 4.33Å; L385-W490 HydrophobicContact CD1-CD2 3.66Å; L385-W490 HydrophobicContact CD1-CE3 4.04Å; L385-W490 HydrophobicContact CD1-CG 3.99Å; L385-W490 HydrophobicContact CD1-CH2 4.49Å; L385-W490 HydrophobicContact CD1-CZ2 4.1Å; L385-W490 HydrophobicContact CD1-CZ3 4.45Å; L385-W490 HydrophobicContact CD2-CD2 4.06Å; L385-W490 HydrophobicContact CD2-CE3 3.52Å; L385-W490 HydrophobicContact CD2-CH2 4.21Å; L385-W490 HydrophobicContact CD2-CZ3 3.63Å; L385-W490 HydrophobicContact CG-CD2 4.24Å; L385-W490 HydrophobicContact CG-CE3 4.19Å; L385-D492 HydrophobicContact CD2-CB 4.07Å
386	L	96.3	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	104.3	162.7	177	67.3	0	0	0	107.7	F388 W490 L491 I493 F503 L527 A537 L539	L386-F388 HydrophobicContact CG-CD1 4.25Å; L386-F388 WeakPolarHBondContact O-CD1 3.35Å; L386-W490 CarbonylContact O-C 3.59Å; L386-W490 WeakPolarHBondContact O-CA 3.41Å; L386-W490 VanDerWaalsContact O-CB 3.26Å; L386-W490 WeakPolarHBondContact O-CB 3.28Å; L386-L491 PolarHBondContact N-O 2.75Å; L386-L491 PolarHBondContact O-N 3.25Å; L386-I493 HydrophobicContact CB-CD1 4.1Å; L386-I493 HydrophobicContact CB-CG1 4.32Å; L386-I493 HydrophobicContact CB-CG2 4.02Å; L386-F503 HydrophobicContact CD2-CD2 4.01Å; L386-F503 HydrophobicContact CD2-CE2 4.3Å; L386-L527 HydrophobicContact CD1-CD1 4.18Å; L386-L527 HydrophobicContact CD2-CD1 3.8Å; L386-L527 HydrophobicContact CD2-CD2 4.07Å; L386-A537 HydrophobicContact CD1-CB 4.01Å; L386-L539 HydrophobicContact CD2-CD2 4.33Å
387	R	96.2	Very high	94.9	Very high	24 Å²	24	33.6 Å²	33.6	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.9	177.7	-69.1	-177.9	172.6	-83	0.2	109.9	A344 Y345 S347 L385 H484 W490	A344-R387 CarbonylContact C-O 3.1Å; A344-R387 WeakPolarHBondContact CA-O 3.41Å; Y345-R387 HydrophobicContact CD1-CB 4.11Å; Y345-R387 HydrophobicContact CE1-CB 3.7Å; Y345-R387 HydrophobicContact CE2-CB 4.28Å; Y345-R387 VanDerWaalsContact CZ-CD 3.49Å; Y345-R387 PolarHBondContact N-O 3.02Å; Y345-R387 PolarHBondContact O-N 2.73Å; Y345-R387 VanDerWaalsContact O-O 3.13Å; Y345-R387 WeakPolarHBondContact OH-CD 3.45Å; S347-R387 VanDerWaalsContact OG-CD 3.27Å; S347-R387 WeakPolarHBondContact OG-CD 3.14Å; S347-R387 PolarHBondContact OG-NE 3.27Å; L385-R387 HydrophobicContact CB-CG 4.38Å; L385-R387 PolarHBondContact O-N 3.2Å; R387-H484 HydrophobicContact CB-CB 4.17Å; R387-H484 WeakPolarHBondContact CB-O 3.3Å; R387-H484 WeakPolarHBondContact CD-O 3.38Å; R387-H484 PolarHBondContact NH1-O 3.25Å; R387-W490 HydrophobicContact CB-CB 4.43Å; R387-W490 HydrophobicContact CG-CB 3.85Å; R387-W490 HydrophobicContact CG-CG 4.48Å
388	F	96.9	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.			trans	-163.5	148.8	179.9	52.1	-91.9	0	0	0	109.9	L340 A344 L386 Y427 H484 Q489 L491 F503 L505	L340-F388 HydrophobicContact CD1-CB 3.96Å; L340-F388 HydrophobicContact CD1-CD2 3.41Å; L340-F388 VanDerWaalsContact CD1-CD2 3.41Å; L340-F388 HydrophobicContact CD1-CE2 4.22Å; L340-F388 HydrophobicContact CD1-CG 3.93Å; A344-F388 HydrophobicContact CB-CB 4.09Å; L386-F388 HydrophobicContact CG-CD1 4.25Å; L386-F388 WeakPolarHBondContact O-CD1 3.35Å; F388-Y427 HydrophobicContact CE2-CD1 4.1Å; F388-Y427 HydrophobicContact CE2-CD2 4.22Å; F388-Y427 AromaticContact CE2-CE1 3.85Å; F388-Y427 HydrophobicContact CE2-CE1 3.85Å; F388-Y427 AromaticContact CE2-CE2 3.92Å; F388-Y427 HydrophobicContact CE2-CE2 3.92Å; F388-Y427 HydrophobicContact CE2-CG 4.27Å; F388-Y427 AromaticContact CE2-CZ 3.72Å; F388-Y427 HydrophobicContact CZ-CD1 4.01Å; F388-Y427 AromaticContact CZ-CD2 3.56Å; F388-Y427 HydrophobicContact CZ-CD2 3.56Å; F388-Y427 HydrophobicContact CZ-CE1 4.13Å; F388-Y427 AromaticContact CZ-CE2 3.64Å; F388-Y427 HydrophobicContact CZ-CE2 3.64Å; F388-Y427 AromaticContact CZ-CG 3.72Å; F388-Y427 HydrophobicContact CZ-CG 3.72Å; F388-Y427 AromaticContact CZ-CZ 3.92Å; F388-H484 VanDerWaalsContact C-CB 3.49Å; F388-Q489 VanDerWaalsContact CD2-NE2 3.34Å; F388-Q489 VanDerWaalsContact O-CG 3.27Å; F388-Q489 WeakPolarHBondContact O-CG 3.47Å; F388-Q489 PolarHBondContact O-NE2 3.4Å; F388-L491 HydrophobicContact CE1-CB 4.34Å; F388-F503 HydrophobicContact CD1-CE2 4.4Å; F388-F503 HydrophobicContact CD1-CZ 4.25Å; F388-F503 HydrophobicContact CD2-CZ 4.48Å; F388-F503 AromaticContact CE1-CE2 3.82Å; F388-F503 HydrophobicContact CE1-CE2 3.82Å; F388-F503 AromaticContact CE1-CZ 3.81Å; F388-F503 HydrophobicContact CE1-CZ 3.81Å; F388-F503 HydrophobicContact CE2-CZ 4.05Å; F388-F503 HydrophobicContact CZ-CE2 4.06Å; F388-F503 AromaticContact CZ-CZ 3.7Å; F388-F503 HydrophobicContact CZ-CZ 3.7Å; F388-L505 HydrophobicContact CE2-CD1 4.21Å
389	S	96.3	Very high	95.3	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.049	17%	0.168	C	C	.	.			trans	-90.2	141.6	176	-57	0	0	0	0	110.6	L340 S343 Y482 H484	L340-S389 WeakPolarHBondContact CA-O 3.46Å; L340-S389 WeakPolarHBondContact CD1-O 3.15Å; S343-S389 WeakPolarHBondContact OG-CB 3.22Å; S343-S389 PolarHBondContact OG-N 3.17Å; S389-Y482 CarbonylContact C-O 3.53Å; S389-Y482 WeakPolarHBondContact CA-O 3.38Å; S389-H484 PolarHBondContact OG-N 2.8Å
390	S	94.8	Very high	95.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.9	171	-168.4	0	0	0	0	108.6	Y482	S390-Y482 PolarHBondContact N-O 2.98Å; S390-Y482 WeakPolarHBondContact O-CB 3.44Å; S390-Y482 PolarHBondContact O-N 2.84Å
391	I	96.3	Very high	95.3	Very high	23 Å²	23	29.6 Å²	29.6	12%	0.118	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.4	173	-64.6	176.1	0	0	0	106.8	P335 D336 A339 Q479 D480 N481	P335-I391 CarbonylContact C-O 3.5Å; P335-I391 WeakPolarHBondContact CA-O 3.45Å; D336-I391 HydrophobicContact CB-CB 4.03Å; D336-I391 HydrophobicContact CB-CG2 4.31Å; D336-I391 PolarHBondContact N-O 2.87Å; A339-I391 HydrophobicContact CB-CB 4.46Å; A339-I391 HydrophobicContact CB-CD1 3.84Å; A339-I391 HydrophobicContact CB-CG1 4.29Å; I391-Q479 HydrophobicContact CG2-CB 4.36Å; I391-Q479 HydrophobicContact CG2-CG 4.32Å; I391-Q479 VanDerWaalsContact CG2-NE2 3.34Å; I391-D480 WeakPolarHBondContact CA-O 3.5Å; I391-N481 WeakPolarHBondContact CG2-OD1 3.48Å
392	I	95.8	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.2	-169.5	-63.2	162.5	0	0	0	108.4	L333 F424 Q479 D480 Y482 L507	L333-I392 HydrophobicContact CB-CG2 4.05Å; L333-I392 HydrophobicContact CD1-CG2 4.33Å; L333-I392 HydrophobicContact CD2-CG2 3.97Å; L333-I392 HydrophobicContact CG-CG2 4.36Å; I392-F424 HydrophobicContact CD1-CD1 4.03Å; I392-F424 HydrophobicContact CD1-CE1 3.22Å; I392-F424 HydrophobicContact CD1-CZ 3.95Å; I392-F424 HydrophobicContact CG1-CE1 4.47Å; I392-F424 HydrophobicContact CG2-CZ 4.21Å; I392-Q479 CarbonylContact O-C 3.43Å; I392-Q479 WeakPolarHBondContact O-CA 3.29Å; I392-Q479 WeakPolarHBondContact O-CB 3.34Å; I392-D480 PolarHBondContact N-O 3.43Å; I392-D480 PolarHBondContact O-N 3.4Å; I392-Y482 HydrophobicContact CD1-CD2 4.36Å; I392-L507 HydrophobicContact CB-CD1 4.47Å; I392-L507 HydrophobicContact CD1-CD1 4.14Å; I392-L507 HydrophobicContact CD1-CD2 3.47Å; I392-L507 VanDerWaalsContact CD1-CD2 3.47Å; I392-L507 HydrophobicContact CD1-CG 4.46Å; I392-L507 HydrophobicContact CG1-CD1 3.95Å; I392-L507 HydrophobicContact CG1-CD2 4.06Å; I392-L507 HydrophobicContact CG2-CD1 3.72Å
393	H	97.2	Very high	94.7	Very high	30 Å²	30	26 Å²	26	14%	0.139	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.7	-179.9	-59.5	-85.1	0	0	0	110	L333 E334 V395 Q479	L333-H393 CarbonylContact C-O 3.58Å; L333-H393 WeakPolarHBondContact CA-O 3.4Å; E334-H393 PolarHBondContact N-O 3.41Å; E334-H393 PolarHBondContact O-N 2.83Å; H393-V395 HydrophobicContact CB-CG1 3.96Å; H393-V395 PolarHBondContact O-N 2.97Å; H393-Q479 PolarHBondContact CE1-OE1 3.01Å; H393-Q479 PolarHBondContact ND1-OE1 3.1Å
394	N	97.6	Very high	94.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	99.5	159.7	-176.8	3.9	0	0	0	108.7	D332 L333 G396 D398 F400 I474 G477 C478	D332-N394 PolarHBondContact N-OD1 2.86Å; D332-N394 VanDerWaalsContact N-OD1 3.15Å; D332-N394 CarbonylContact O-C 3.07Å; D332-N394 WeakPolarHBondContact O-CA 3.17Å; D332-N394 PolarHBondContact O-OD1 2.86Å; L333-N394 HydrophobicContact CD2-CB 4.46Å; N394-G396 VanDerWaalsContact C-N 3.28Å; N394-G396 WeakPolarHBondContact OD1-CA 3.01Å; N394-G396 PolarHBondContact OD1-N 3.15Å; N394-D398 PolarHBondContact ND2-O 2.86Å; N394-F400 PolarHBondContact ND2-N 2.79Å; N394-I474 HydrophobicContact CB-CB 4.15Å; N394-I474 HydrophobicContact CB-CG2 3.59Å; N394-I474 PolarHBondContact ND2-O 3.44Å; N394-G477 PolarHBondContact O-N 3.19Å; N394-C478 PolarHBondContact N-O 3.31Å
395	V	96.7	Very high	93.9	Very high	48 Å²	48	28.2 Å²	28.2	29%	0.291	15%	0.149	S	C	.	.			trans	-88.2	1	176.2	-59.5	0	0	0	0	112.7	D332 E334 H393	D332-V395 HydrophobicContact CB-CG2 3.83Å; D332-V395 WeakPolarHBondContact O-CG2 3.36Å; D332-V395 PolarHBondContact O-N 3.4Å; D332-V395 WeakPolarHBondContact OD2-CG2 3.27Å; E334-V395 HydrophobicContact CB-CG1 4.02Å; E334-V395 HydrophobicContact CB-CG2 4.02Å; H393-V395 HydrophobicContact CB-CG1 3.96Å; H393-V395 PolarHBondContact O-N 2.97Å
396	G	95.8	Very high	93.7	Very high	8 Å²	8	30.6 Å²	30.6	8%	0.082	17%	0.165	C	C	.	.	S	Bend	trans	-76.6	-170.7	177.8	0	0	0	0	0	113.8	L330 N394	L330-G396 CarbonylContact O-C 3.59Å; L330-G396 WeakPolarHBondContact O-CA 3.34Å; N394-G396 VanDerWaalsContact C-N 3.28Å; N394-G396 WeakPolarHBondContact OD1-CA 3.01Å; N394-G396 PolarHBondContact OD1-N 3.15Å
397	T	95.5	Very high	93.2	Very high	85 Å²	85	36.1 Å²	36.1	52%	0.521	19%	0.19	S	C	.	.	S	Bend	trans	-111.3	-4.5	-177	53.6	0	0	0	0	113.7	V329 L330	V329-T397 WeakPolarHBondContact CA-OG1 3.38Å; V329-T397 WeakPolarHBondContact CB-OG1 3.35Å; L330-T397 PolarHBondContact N-OG1 3Å; L330-T397 PolarHBondContact O-N 3.06Å
398	D	95.5	Very high	92.8	Very high	64 Å²	64	36.9 Å²	36.9	34%	0.342	19%	0.193	S	C	.	.	S	Bend	trans	-132.3	168	174.4	-155.9	1	0	0	0	111.7	V329 L330 A331 N394	V329-D398 HydrophobicContact CB-CB 4.04Å; V329-D398 HydrophobicContact CG2-CB 3.92Å; L330-D398 PolarHBondContact O-N 3.41Å; A331-D398 WeakPolarHBondContact CA-O 2.87Å; N394-D398 PolarHBondContact ND2-O 2.86Å
399	V	95.5	Very high	92.4	Very high	34 Å²	34	37.5 Å²	37.5	21%	0.206	20%	0.195	C	C	.	.			trans	-67.2	131.2	-179.7	178.2	0	0	0	0	110.9	R401 F460 I474	V399-R401 HydrophobicContact CB-CG 4.31Å; V399-R401 HydrophobicContact CG1-CG 3.63Å; V399-R401 PolarHBondContact O-N 3.11Å; V399-F460 HydrophobicContact CB-CE2 4.27Å; V399-F460 HydrophobicContact CB-CZ 4.31Å; V399-F460 HydrophobicContact CG1-CD2 4.37Å; V399-F460 HydrophobicContact CG1-CE1 4.41Å; V399-F460 HydrophobicContact CG1-CE2 3.36Å; V399-F460 HydrophobicContact CG1-CZ 3.4Å; V399-F460 HydrophobicContact CG2-CE2 3.85Å; V399-F460 HydrophobicContact CG2-CZ 3.93Å; V399-I474 WeakPolarHBondContact CA-O 3.48Å
400	F	94.3	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-77.5	117.8	164.3	-173.1	-89.5	0	0	0	108.8	A331 L333 N394 M421 F424 L447 G473 I474 V513 E515	A331-F400 HydrophobicContact CB-CB 3.69Å; A331-F400 HydrophobicContact CB-CD2 3.92Å; A331-F400 HydrophobicContact CB-CG 4.3Å; L333-F400 HydrophobicContact CD1-CD1 4.2Å; L333-F400 HydrophobicContact CD1-CD2 3.63Å; L333-F400 HydrophobicContact CD1-CE1 3.99Å; L333-F400 HydrophobicContact CD1-CE2 3.36Å; L333-F400 HydrophobicContact CD1-CG 4.05Å; L333-F400 HydrophobicContact CD1-CZ 3.56Å; L333-F400 HydrophobicContact CD2-CB 3.94Å; L333-F400 HydrophobicContact CD2-CD1 4.34Å; L333-F400 HydrophobicContact CD2-CD2 3.77Å; L333-F400 HydrophobicContact CD2-CE2 4.39Å; L333-F400 HydrophobicContact CD2-CG 3.74Å; L333-F400 HydrophobicContact CG-CD2 3.58Å; L333-F400 HydrophobicContact CG-CE2 3.78Å; L333-F400 HydrophobicContact CG-CG 4.06Å; L333-F400 HydrophobicContact CG-CZ 4.44Å; N394-F400 PolarHBondContact ND2-N 2.79Å; F400-M421 HydrophobicContact CE1-SD 4.21Å; F400-F424 HydrophobicContact CD1-CE2 4.44Å; F400-F424 HydrophobicContact CE1-CD2 4.37Å; F400-F424 AromaticContact CE1-CE2 3.67Å; F400-F424 HydrophobicContact CE1-CE2 3.67Å; F400-F424 AromaticContact CZ-CE2 3.99Å; F400-F424 HydrophobicContact CZ-CE2 3.99Å; F400-L447 HydrophobicContact CD1-CD1 3.81Å; F400-L447 HydrophobicContact CD1-CD2 3.86Å; F400-L447 HydrophobicContact CE1-CD1 3.99Å; F400-L447 HydrophobicContact CE1-CD2 4.08Å; F400-G473 CarbonylContact O-C 3.55Å; F400-G473 WeakPolarHBondContact O-CA 3.39Å; F400-I474 HydrophobicContact CB-CB 4.31Å; F400-I474 PolarHBondContact N-O 3.36Å; F400-I474 PolarHBondContact O-N 3.08Å; F400-V513 HydrophobicContact CD2-CG1 3.86Å; F400-V513 HydrophobicContact CE1-CG2 4.47Å; F400-V513 HydrophobicContact CE2-CB 3.65Å; F400-V513 HydrophobicContact CE2-CG1 3.48Å; F400-V513 VanDerWaalsContact CE2-CG1 3.48Å; F400-V513 HydrophobicContact CE2-CG2 4.16Å; F400-V513 HydrophobicContact CZ-CB 3.81Å; F400-V513 HydrophobicContact CZ-CG1 3.95Å; F400-V513 HydrophobicContact CZ-CG2 3.79Å; F400-E515 HydrophobicContact CE2-CG 4.37Å
401	R	92.3	Very high	91.6	Very high	104 Å²	104	41.8 Å²	41.8	39%	0.392	22%	0.215	S	C	.	.			trans	-114.1	151.8	-179.5	-68.2	-169.8	164.5	-82.9	7.7	111	V399 D471 Q472 V513	V399-R401 HydrophobicContact CB-CG 4.31Å; V399-R401 HydrophobicContact CG1-CG 3.63Å; V399-R401 PolarHBondContact O-N 3.11Å; R401-D471 IonicContact CZ-OD1 3.66Å; R401-D471 IonicContact CZ-OD2 2.66Å; R401-D471 VanDerWaalsContact NH1-CG 3.34Å; R401-D471 IonicContact NH1-OD1 2.79Å; R401-D471 PolarHBondContact NH1-OD1 2.04Å; R401-D471 IonicContact NH1-OD2 3.14Å; R401-D471 PolarHBondContact NH1-OD2 3.29Å; R401-D471 IonicContact NH2-OD1 3.71Å; R401-D471 IonicContact NH2-OD2 3.25Å; R401-D471 PolarHBondContact NH2-OD2 3.29Å; R401-Q472 PolarHBondContact NH1-O 3.24Å; R401-V513 WeakPolarHBondContact O-CG2 3.33Å
402	P	89.6	Confident	91.1	Very high	16 Å²	16	42 Å²	42	10%	0.104	22%	0.216	C	C	.	.			trans	-57.6	142.2	170.4	-11.8	23.7	0	0	0	110.2	E404 W409 S420 M421 L447 Q472	P402-E404 VanDerWaalsContact C-N 3.32Å; P402-W409 HydrophobicContact CG-CZ2 3.89Å; P402-S420 VanDerWaalsContact CG-CB 3.43Å; P402-S420 WeakPolarHBondContact CG-OG 3.5Å; P402-M421 HydrophobicContact CB-CG 4.04Å; P402-L447 HydrophobicContact CB-CD1 4.34Å; P402-L447 VanDerWaalsContact CD-CD1 3.49Å; P402-L447 HydrophobicContact CG-CD1 3.64Å; P402-Q472 WeakPolarHBondContact CD-O 3.16Å; P402-Q472 HydrophobicContact CG-CB 4.1Å
403	H	83.7	Confident	90.5	Very high	78 Å²	78	44.5 Å²	44.5	36%	0.361	24%	0.236	S	C	.	.	S	Bend	trans	-65.1	-39.5	171	178.6	75.8	0	0	0	111.4	L512 V513	H403-L512 HydrophobicContact CB-CB 4.07Å; H403-L512 PolarHBondContact ND1-O 3.46Å; H403-V513 HydrophobicContact CB-CG2 3.99Å
404	E	83.7	Confident	90	Very high	18 Å²	18	45.2 Å²	45.2	8%	0.084	24%	0.244	C	C	.	.	S	Bend	trans	-73.7	134.3	-178.2	-67	-59.6	147.8	0	0	111.6	P402 R408 W409	P402-E404 VanDerWaalsContact C-N 3.32Å; E404-R408 HydrophobicContact CB-CB 4.44Å; E404-R408 IonicContact OE1-NH1 3.55Å; E404-R408 WeakPolarHBondContact OE2-CD 3.44Å; E404-R408 IonicContact OE2-CZ 2.88Å; E404-R408 IonicContact OE2-NE 3.39Å; E404-R408 IonicContact OE2-NH1 3.65Å; E404-R408 PolarHBondContact OE2-NH1 3.2Å; E404-W409 PolarHBondContact O-NE1 2.93Å
405	P	87.6	Confident	89.3	Confident	51 Å²	51	47.9 Å²	47.9	33%	0.331	26%	0.257	S	S	.	.			trans	-69.9	155.8	176.9	35	-39.3	0	0	0	110.7	E407 R408 W409	P405-E407 WeakPolarHBondContact CB-OE2 3.35Å; P405-E407 PolarHBondContact O-N 3.1Å; P405-R408 PolarHBondContact O-N 3.29Å; P405-W409 VanDerWaalsContact O-CD1 3.31Å; P405-W409 PolarHBondContact O-NE1 2.52Å
406	P	89.7	Confident	88.9	Confident	50 Å²	50	50.9 Å²	50.9	33%	0.325	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-52.9	-31.4	-174.1	-28	35.7	0	0	0	115.1	R408 W409 R469	P406-R408 PolarHBondContact O-N 2.64Å; P406-W409 HydrophobicContact CB-CD2 4.18Å; P406-W409 HydrophobicContact CB-CE3 4.24Å; P406-W409 HydrophobicContact CB-CH2 4.26Å; P406-W409 HydrophobicContact CB-CZ2 4.21Å; P406-W409 HydrophobicContact CB-CZ3 4.28Å; P406-W409 HydrophobicContact CG-CH2 4Å; P406-W409 HydrophobicContact CG-CZ2 3.85Å; P406-W409 HydrophobicContact CG-CZ3 4.49Å; P406-W409 WeakPolarHBondContact O-CB 3.47Å; P406-W409 PolarHBondContact O-N 2.88Å; P406-R469 WeakPolarHBondContact O-CD 3.49Å; P406-R469 PolarHBondContact O-NE 2.77Å
407	E	87.1	Confident	88.7	Confident	115 Å²	115	52 Å²	52	54%	0.537	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-58.9	-30.9	-179.8	-62.3	70.4	-149.6	0	0	112.3	F139 P405	F139-E407 HydrophobicContact CZ-CB 4.15Å; P405-E407 WeakPolarHBondContact CB-OE2 3.35Å; P405-E407 PolarHBondContact O-N 3.1Å
408	R	86.4	Confident	88.5	Confident	40 Å²	40	49 Å²	49	15%	0.151	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-90.1	-4.4	178.5	-73.5	178.2	179.7	166.5	1.5	114	Y137 F138 F139 E404 P405 P406 V410	Y137-R408 HydrophobicContact CE1-CB 4.43Å; Y137-R408 HydrophobicContact CE1-CG 4.31Å; Y137-R408 HydrophobicContact CE2-CB 4.15Å; Y137-R408 HydrophobicContact CE2-CG 4.38Å; Y137-R408 WeakPolarHBondContact CE2-O 3.17Å; Y137-R408 PolarHBondContact O-NE 3.14Å; Y137-R408 PolarHBondContact OH-O 3Å; Y137-R408 VanDerWaalsContact OH-O 3.05Å; F138-R408 PolarHBondContact O-NH2 3.31Å; F139-R408 HydrophobicContact CE2-CG 3.81Å; F139-R408 HydrophobicContact CZ-CG 4.45Å; E404-R408 HydrophobicContact CB-CB 4.44Å; E404-R408 IonicContact OE1-NH1 3.55Å; E404-R408 WeakPolarHBondContact OE2-CD 3.44Å; E404-R408 IonicContact OE2-CZ 2.88Å; E404-R408 IonicContact OE2-NE 3.39Å; E404-R408 IonicContact OE2-NH1 3.65Å; E404-R408 PolarHBondContact OE2-NH1 3.2Å; P405-R408 PolarHBondContact O-N 3.29Å; P406-R408 PolarHBondContact O-N 2.64Å; R408-V410 PolarHBondContact O-N 2.76Å
409	W	89.5	Confident	88.2	Confident	13 Å²	13	46.6 Å²	46.6	5%	0.049	24%	0.238	C	C	.	.			trans	-68.8	134.2	176.6	-58.4	-3.6	0	0	0	110.4	P402 E404 P405 P406 Y418 H419 S420 R469 G470 Q472	P402-W409 HydrophobicContact CG-CZ2 3.89Å; E404-W409 PolarHBondContact O-NE1 2.93Å; P405-W409 VanDerWaalsContact O-CD1 3.31Å; P405-W409 PolarHBondContact O-NE1 2.52Å; P406-W409 HydrophobicContact CB-CD2 4.18Å; P406-W409 HydrophobicContact CB-CE3 4.24Å; P406-W409 HydrophobicContact CB-CH2 4.26Å; P406-W409 HydrophobicContact CB-CZ2 4.21Å; P406-W409 HydrophobicContact CB-CZ3 4.28Å; P406-W409 HydrophobicContact CG-CH2 4Å; P406-W409 HydrophobicContact CG-CZ2 3.85Å; P406-W409 HydrophobicContact CG-CZ3 4.49Å; P406-W409 WeakPolarHBondContact O-CB 3.47Å; P406-W409 PolarHBondContact O-N 2.88Å; W409-Y418 HydrophobicContact CB-CD1 4.12Å; W409-H419 VanDerWaalsContact CA-O 3.28Å; W409-H419 WeakPolarHBondContact CA-O 3.1Å; W409-H419 WeakPolarHBondContact CB-O 3.35Å; W409-S420 VanDerWaalsContact CD1-CA 3.49Å; W409-R469 HydrophobicContact CE3-CB 4.08Å; W409-R469 HydrophobicContact CZ3-CB 4.29Å; W409-G470 WeakPolarHBondContact CZ3-O 3.44Å; W409-Q472 HydrophobicContact CE3-CG 4.37Å; W409-Q472 HydrophobicContact CH2-CB 3.85Å; W409-Q472 HydrophobicContact CH2-CG 3.86Å; W409-Q472 HydrophobicContact CZ2-CB 4.3Å; W409-Q472 HydrophobicContact CZ3-CB 4.28Å; W409-Q472 HydrophobicContact CZ3-CG 3.75Å
410	V	85.8	Confident	88	Confident	47 Å²	47	45.1 Å²	45.1	29%	0.285	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.8	-174.1	177.3	0	0	0	0	109.6	Y137 R408 Y418 H419 K422	Y137-V410 HydrophobicContact CE2-CG2 4.12Å; R408-V410 PolarHBondContact O-N 2.76Å; V410-Y418 CarbonylContact O-C 3.6Å; V410-Y418 WeakPolarHBondContact O-CA 3.32Å; V410-H419 PolarHBondContact N-O 2.98Å; V410-H419 VanDerWaalsContact N-O 3.08Å; V410-H419 PolarHBondContact O-N 3.03Å; V410-K422 VanDerWaalsContact CG2-NZ 3.26Å
411	W	87.9	Confident	87.5	Confident	54 Å²	54	45.9 Å²	45.9	21%	0.205	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.4	172.7	176.2	-94.5	0	0	0	111.1	M416 Y418 T465 L466	W411-M416 HydrophobicContact CH2-CB 4.1Å; W411-M416 WeakPolarHBondContact CH2-O 3.46Å; W411-M416 VanDerWaalsContact CZ2-CA 3.46Å; W411-M416 HydrophobicContact CZ2-CB 4.04Å; W411-M416 WeakPolarHBondContact CZ3-O 3.35Å; W411-Y418 HydrophobicContact CB-CD1 4.09Å; W411-Y418 HydrophobicContact CB-CE1 3.79Å; W411-Y418 AromaticContact CE3-CD2 3.62Å; W411-Y418 HydrophobicContact CE3-CD2 3.62Å; W411-Y418 HydrophobicContact CE3-CE1 4.48Å; W411-Y418 AromaticContact CE3-CE2 3.47Å; W411-Y418 HydrophobicContact CE3-CE2 3.47Å; W411-Y418 VanDerWaalsContact CE3-CE2 3.47Å; W411-Y418 HydrophobicContact CE3-CG 4.2Å; W411-Y418 AromaticContact CE3-CZ 3.94Å; W411-Y418 HydrophobicContact CZ3-CD2 4.08Å; W411-Y418 AromaticContact CZ3-CE2 3.97Å; W411-Y418 HydrophobicContact CZ3-CE2 3.97Å; W411-T465 VanDerWaalsContact CZ3-C 3.44Å; W411-T465 WeakPolarHBondContact CZ3-O 3.44Å; W411-L466 HydrophobicContact CB-CD2 4.08Å; W411-L466 HydrophobicContact CD2-CD2 3.44Å; W411-L466 VanDerWaalsContact CD2-CD2 3.44Å; W411-L466 HydrophobicContact CD2-CG 3.97Å; W411-L466 VanDerWaalsContact CE2-CD2 3.44Å; W411-L466 HydrophobicContact CE3-CD2 4.21Å; W411-L466 HydrophobicContact CG-CD2 3.34Å; W411-L466 HydrophobicContact CG-CG 4.35Å; W411-L466 HydrophobicContact CH2-CG 4.34Å; W411-L466 HydrophobicContact CZ2-CD2 4.16Å; W411-L466 HydrophobicContact CZ2-CG 3.78Å
412	H	85.5	Confident	86.9	Confident	27 Å²	27	42.7 Å²	42.7	13%	0.125	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.7	173.7	-156.7	-95	0	0	0	111.9	E360 C414 H415 M416 H417 H419	E360-H412 VanDerWaalsContact CG-CE1 3.49Å; E360-H412 WeakPolarHBondContact CG-CE1 3.44Å; E360-H412 WeakPolarHBondContact CG-NE2 3.17Å; E360-H412 IonicContact OE1-CD2 3.85Å; E360-H412 IonicContact OE1-CE1 2.88Å; E360-H412 PolarHBondContact OE1-CE1 3.06Å; E360-H412 IonicContact OE1-CG 3.59Å; E360-H412 IonicContact OE1-ND1 2.94Å; E360-H412 PolarHBondContact OE1-ND1 3.35Å; E360-H412 IonicContact OE1-NE2 3.47Å; E360-H412 PolarHBondContact OE1-NE2 3.14Å; H412-C414 PolarHBondContact O-N 2.97Å; H412-H415 AromaticContact ND1-ND1 3.89Å; H412-H415 PolarHBondContact O-N 2.98Å; H412-M416 WeakPolarHBondContact O-CA 3.44Å; H412-M416 PolarHBondContact O-N 3.4Å; H412-H417 PolarHBondContact N-O 2.9Å; H412-H419 WeakPolarHBondContact CB-CE1 3.17Å; H412-H419 VanDerWaalsContact CB-NE2 3.28Å; H412-H419 WeakPolarHBondContact CB-NE2 3.31Å; H412-H419 AromaticContact CD2-CE1 3.76Å; H412-H419 AromaticContact CG-CE1 3.31Å; H412-H419 AromaticContact CG-NE2 3.89Å
413	A	84.5	Confident	86.4	Confident	52 Å²	52	43.2 Å²	43.2	43%	0.43	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-35	-172.7	0	0	0	0	0	113.1	H415 M416	A413-H415 PolarHBondContact O-N 3.47Å; A413-M416 WeakPolarHBondContact O-CG 3.37Å; A413-M416 PolarHBondContact O-N 3.12Å
414	C	86.1	Confident	86.4	Confident	46 Å²	46	39.5 Å²	39.5	31%	0.311	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.9	177.5	-83.1	0	0	0	0	113.3	C356 H412	C356-C414 VanDerWaalsContact CA-SG 3.56Å; C356-C414 HydrophobicContact CB-CB 3.57Å; C356-C414 WeakPolarHBondContact CB-SG 3.33Å; C356-C414 WeakPolarHBondContact SG-CB 3.47Å; C356-C414 CovalentContact SG-SG 2.04Å; C356-C414 PolarHBondContact SG-SG 2.92Å; H412-C414 PolarHBondContact O-N 2.97Å
415	H	83	Confident	86.7	Confident	56 Å²	56	38.6 Å²	38.6	26%	0.259	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-6.9	-175	-57.3	145.6	0	0	0	113.1	E360 H412 A413 H417 H419 S444	E360-H415 VanDerWaalsContact CD-CE1 3.41Å; E360-H415 IonicContact OE1-CE1 3.73Å; E360-H415 PolarHBondContact OE1-CE1 2.96Å; E360-H415 IonicContact OE1-ND1 3.86Å; E360-H415 PolarHBondContact OE1-ND1 2.8Å; E360-H415 IonicContact OE1-NE2 3.2Å; E360-H415 IonicContact OE2-CE1 2.9Å; E360-H415 PolarHBondContact OE2-CE1 2.82Å; E360-H415 VanDerWaalsContact OE2-CE1 3.31Å; H412-H415 AromaticContact ND1-ND1 3.89Å; H412-H415 PolarHBondContact O-N 2.98Å; A413-H415 PolarHBondContact O-N 3.47Å; H415-H417 WeakPolarHBondContact CB-CD2 3.06Å; H415-H417 VanDerWaalsContact CB-NE2 3.27Å; H415-H417 WeakPolarHBondContact CB-NE2 3.07Å; H415-H417 PolarHBondContact O-N 3.35Å; H415-H419 AromaticContact ND1-NE2 3.8Å; H415-S444 VanDerWaalsContact CE1-CB 3.49Å; H415-S444 WeakPolarHBondContact CE1-CB 3.46Å; H415-S444 VanDerWaalsContact ND1-CB 3.31Å; H415-S444 WeakPolarHBondContact ND1-CB 3.16Å
416	M	88.4	Confident	86.7	Confident	111 Å²	111	36.2 Å²	36.2	55%	0.547	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.3	178.7	-56.6	178.9	61.5	0	0	112.7	W411 H412 A413 T464	W411-M416 HydrophobicContact CH2-CB 4.1Å; W411-M416 WeakPolarHBondContact CH2-O 3.46Å; W411-M416 VanDerWaalsContact CZ2-CA 3.46Å; W411-M416 HydrophobicContact CZ2-CB 4.04Å; W411-M416 WeakPolarHBondContact CZ3-O 3.35Å; H412-M416 WeakPolarHBondContact O-CA 3.44Å; H412-M416 PolarHBondContact O-N 3.4Å; A413-M416 WeakPolarHBondContact O-CG 3.37Å; A413-M416 PolarHBondContact O-N 3.12Å; M416-T464 VanDerWaalsContact O-CA 3.23Å; M416-T464 WeakPolarHBondContact O-CA 3.38Å
417	H	90.5	Very high	86.8	Confident	32 Å²	32	33.9 Å²	33.9	15%	0.148	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	171.4	174.7	64.2	-179	0	0	0	112	H412 H415 H419 C446 C462 S463	H412-H417 PolarHBondContact N-O 2.9Å; H415-H417 WeakPolarHBondContact CB-CD2 3.06Å; H415-H417 VanDerWaalsContact CB-NE2 3.27Å; H415-H417 WeakPolarHBondContact CB-NE2 3.07Å; H415-H417 PolarHBondContact O-N 3.35Å; H417-H419 AromaticContact CD2-CD2 3.64Å; H417-H419 AromaticContact CD2-NE2 3.6Å; H417-H419 AromaticContact NE2-CD2 3.58Å; H417-H419 AromaticContact NE2-NE2 3.45Å; H417-H419 PolarHBondContact NE2-NE2 2.88Å; H417-C446 WeakPolarHBondContact ND1-CB 3.28Å; H417-C462 HydrophobicContact CB-CB 4.32Å; H417-S463 WeakPolarHBondContact CA-O 2.85Å; H417-S463 WeakPolarHBondContact CB-O 3.35Å
418	Y	91.5	Very high	87	Confident	21 Å²	21	29.5 Å²	29.5	8%	0.082	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.7	176.2	-76	-87.8	0	0	0	111.2	W409 V410 W411 C446 L466 T468 R469 Q472	W409-Y418 HydrophobicContact CB-CD1 4.12Å; V410-Y418 CarbonylContact O-C 3.6Å; V410-Y418 WeakPolarHBondContact O-CA 3.32Å; W411-Y418 HydrophobicContact CB-CD1 4.09Å; W411-Y418 HydrophobicContact CB-CE1 3.79Å; W411-Y418 AromaticContact CE3-CD2 3.62Å; W411-Y418 HydrophobicContact CE3-CD2 3.62Å; W411-Y418 HydrophobicContact CE3-CE1 4.48Å; W411-Y418 AromaticContact CE3-CE2 3.47Å; W411-Y418 HydrophobicContact CE3-CE2 3.47Å; W411-Y418 VanDerWaalsContact CE3-CE2 3.47Å; W411-Y418 HydrophobicContact CE3-CG 4.2Å; W411-Y418 AromaticContact CE3-CZ 3.94Å; W411-Y418 HydrophobicContact CZ3-CD2 4.08Å; W411-Y418 AromaticContact CZ3-CE2 3.97Å; W411-Y418 HydrophobicContact CZ3-CE2 3.97Å; Y418-C446 WeakPolarHBondContact O-CB 3.34Å; Y418-L466 PolarHBondContact OH-O 3.49Å; Y418-T468 WeakPolarHBondContact CE2-O 3.33Å; Y418-R469 HydrophobicContact CD1-CG 4.11Å; Y418-R469 HydrophobicContact CD2-CB 4.38Å; Y418-R469 HydrophobicContact CD2-CG 4.32Å; Y418-R469 HydrophobicContact CE1-CG 3.82Å; Y418-R469 HydrophobicContact CE2-CB 4.39Å; Y418-R469 HydrophobicContact CE2-CG 4.05Å; Y418-R469 HydrophobicContact CG-CG 4.35Å; Y418-Q472 PolarHBondContact O-NE2 2.89Å
419	H	90.4	Very high	87.4	Confident	13 Å²	13	27.6 Å²	27.6	6%	0.06	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.6	169.6	-55.1	161.8	0	0	0	110	E360 W409 V410 H412 H415 H417 S444 F445	E360-H419 IonicContact OE1-CE1 2.7Å; W409-H419 VanDerWaalsContact CA-O 3.28Å; W409-H419 WeakPolarHBondContact CA-O 3.1Å; W409-H419 WeakPolarHBondContact CB-O 3.35Å; V410-H419 PolarHBondContact N-O 2.98Å; V410-H419 VanDerWaalsContact N-O 3.08Å; V410-H419 PolarHBondContact O-N 3.03Å; H412-H419 WeakPolarHBondContact CB-CE1 3.17Å; H412-H419 VanDerWaalsContact CB-NE2 3.28Å; H412-H419 WeakPolarHBondContact CB-NE2 3.31Å; H412-H419 AromaticContact CD2-CE1 3.76Å; H412-H419 AromaticContact CG-CE1 3.31Å; H412-H419 AromaticContact CG-NE2 3.89Å; H415-H419 AromaticContact ND1-NE2 3.8Å; H417-H419 AromaticContact CD2-CD2 3.64Å; H417-H419 AromaticContact CD2-NE2 3.6Å; H417-H419 AromaticContact NE2-CD2 3.58Å; H417-H419 AromaticContact NE2-NE2 3.45Å; H417-H419 PolarHBondContact NE2-NE2 2.88Å; H419-S444 WeakPolarHBondContact CE1-CA 3.48Å; H419-S444 WeakPolarHBondContact CE1-CB 3.3Å; H419-S444 PolarHBondContact CE1-OG 3.26Å; H419-S444 WeakPolarHBondContact ND1-CA 3.02Å; H419-S444 PolarHBondContact ND1-OG 3.19Å; H419-S444 VanDerWaalsContact NE2-CA 3.32Å; H419-S444 WeakPolarHBondContact NE2-CA 3.19Å; H419-S444 WeakPolarHBondContact NE2-CB 3.48Å; H419-S444 PolarHBondContact NE2-OG 2.8Å; H419-F445 WeakPolarHBondContact CA-O 3.39Å; H419-F445 PolarHBondContact CD2-N 3.15Å
420	S	90.1	Very high	87.6	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.021	14%	0.143	C	C	.	.			trans	-96.8	-12.3	-179	59.3	0	0	0	0	114.2	P402 W409 F445 Q472	P402-S420 VanDerWaalsContact CG-CB 3.43Å; P402-S420 WeakPolarHBondContact CG-OG 3.5Å; W409-S420 VanDerWaalsContact CD1-CA 3.49Å; S420-F445 PolarHBondContact N-O 2.66Å; S420-F445 VanDerWaalsContact N-O 3.11Å; S420-Q472 PolarHBondContact OG-OE1 3.07Å
421	M	84.9	Confident	88	Confident	16 Å²	16	26.3 Å²	26.3	8%	0.079	14%	0.137	C	C	.	.			trans	-140.7	144.1	176.2	-57.2	-179.8	68.6	0	0	109.6	F400 P402 F424 F445 L447	F400-M421 HydrophobicContact CE1-SD 4.21Å; P402-M421 HydrophobicContact CB-CG 4.04Å; M421-F424 HydrophobicContact CE-CD2 4Å; M421-F424 HydrophobicContact SD-CD2 3.73Å; M421-F424 HydrophobicContact SD-CE2 4.45Å; M421-F445 HydrophobicContact CB-CD1 3.93Å; M421-F445 HydrophobicContact CB-CE1 4.39Å; M421-F445 HydrophobicContact CG-CD1 4.23Å; M421-F445 HydrophobicContact CG-CE1 4.27Å; M421-F445 HydrophobicContact SD-CD1 4.33Å; M421-F445 HydrophobicContact SD-CE1 3.82Å; M421-L447 HydrophobicContact SD-CD1 4.42Å
422	K	78.2	Confident	88.3	Confident	38 Å²	38	28.5 Å²	28.5	17%	0.165	17%	0.167	C	C	.	.	S	Bend	trans	-84.6	-40.2	178.5	-58.6	-67.5	165.9	-170.8	0	112.5	Y137 I180 V410	Y137-K422 WeakPolarHBondContact OH-CE 3.49Å; I180-K422 HydrophobicContact CD1-CD 3.92Å; I180-K422 HydrophobicContact CD1-CG 3.58Å; I180-K422 HydrophobicContact CG2-CB 4.15Å; I180-K422 HydrophobicContact CG2-CG 4.19Å; V410-K422 VanDerWaalsContact CG2-NZ 3.26Å
423	V	80	Confident	88.6	Confident	26 Å²	26	35.3 Å²	35.3	16%	0.158	20%	0.196	C	C	.	.			trans	-130.2	97.6	174.8	-176.2	0	0	0	0	107.4	L130 H441 P509	L130-V423 HydrophobicContact CD1-CG2 3.42Å; L130-V423 VanDerWaalsContact CD1-CG2 3.42Å; V423-H441 HydrophobicContact CG1-CB 4.26Å; V423-P509 HydrophobicContact CG1-CG 3.97Å
424	F	84.6	Confident	88.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-85	-45.2	170.7	175.6	-118.4	0	0	0	111.8	L333 I392 F400 M421 F445 L447 I474 Y482 N508	L333-F424 HydrophobicContact CD1-CE2 3.66Å; L333-F424 HydrophobicContact CD1-CZ 3.75Å; I392-F424 HydrophobicContact CD1-CD1 4.03Å; I392-F424 HydrophobicContact CD1-CE1 3.22Å; I392-F424 HydrophobicContact CD1-CZ 3.95Å; I392-F424 HydrophobicContact CG1-CE1 4.47Å; I392-F424 HydrophobicContact CG2-CZ 4.21Å; F400-F424 HydrophobicContact CD1-CE2 4.44Å; F400-F424 HydrophobicContact CE1-CD2 4.37Å; F400-F424 AromaticContact CE1-CE2 3.67Å; F400-F424 HydrophobicContact CE1-CE2 3.67Å; F400-F424 AromaticContact CZ-CE2 3.99Å; F400-F424 HydrophobicContact CZ-CE2 3.99Å; M421-F424 HydrophobicContact CE-CD2 4Å; M421-F424 HydrophobicContact SD-CD2 3.73Å; M421-F424 HydrophobicContact SD-CE2 4.45Å; F424-F445 HydrophobicContact CB-CB 4.49Å; F424-F445 HydrophobicContact CB-CD1 3.74Å; F424-F445 HydrophobicContact CB-CD2 3.73Å; F424-F445 HydrophobicContact CB-CE1 3.68Å; F424-F445 HydrophobicContact CB-CE2 3.7Å; F424-F445 HydrophobicContact CB-CG 3.72Å; F424-F445 HydrophobicContact CB-CZ 3.69Å; F424-F445 AromaticContact CD1-CD2 3.67Å; F424-F445 HydrophobicContact CD1-CD2 3.67Å; F424-F445 HydrophobicContact CD1-CE1 4.01Å; F424-F445 AromaticContact CD1-CE2 2.9Å; F424-F445 HydrophobicContact CD1-CE2 2.9Å; F424-F445 HydrophobicContact CD1-CG 4.45Å; F424-F445 AromaticContact CD1-CZ 3.12Å; F424-F445 HydrophobicContact CD1-CZ 3.12Å; F424-F445 HydrophobicContact CD2-CD1 4.48Å; F424-F445 AromaticContact CD2-CE1 3.59Å; F424-F445 HydrophobicContact CD2-CE1 3.59Å; F424-F445 HydrophobicContact CD2-CE2 4.05Å; F424-F445 AromaticContact CD2-CZ 3.36Å; F424-F445 HydrophobicContact CD2-CZ 3.36Å; F424-F445 HydrophobicContact CE1-CD2 4.37Å; F424-F445 HydrophobicContact CE1-CE1 4.39Å; F424-F445 AromaticContact CE1-CE2 3.24Å; F424-F445 HydrophobicContact CE1-CE2 3.24Å; F424-F445 AromaticContact CE1-CZ 3.26Å; F424-F445 HydrophobicContact CE1-CZ 3.26Å; F424-F445 HydrophobicContact CE2-CE1 4.13Å; F424-F445 HydrophobicContact CE2-CE2 4.39Å; F424-F445 AromaticContact CE2-CZ 3.61Å; F424-F445 HydrophobicContact CE2-CZ 3.61Å; F424-F445 HydrophobicContact CG-CD1 4.08Å; F424-F445 AromaticContact CG-CD2 3.88Å; F424-F445 HydrophobicContact CG-CD2 3.88Å; F424-F445 AromaticContact CG-CE1 3.5Å; F424-F445 HydrophobicContact CG-CE1 3.5Å; F424-F445 AromaticContact CG-CE2 3.3Å; F424-F445 HydrophobicContact CG-CE2 3.3Å; F424-F445 HydrophobicContact CG-CG 4.21Å; F424-F445 AromaticContact CG-CZ 3.09Å; F424-F445 HydrophobicContact CG-CZ 3.09Å; F424-F445 HydrophobicContact CZ-CE1 4.49Å; F424-F445 HydrophobicContact CZ-CE2 4.02Å; F424-F445 AromaticContact CZ-CZ 3.54Å; F424-F445 HydrophobicContact CZ-CZ 3.54Å; F424-L447 HydrophobicContact CE2-CD2 4.1Å; F424-L447 HydrophobicContact CZ-CD2 4.18Å; F424-I474 HydrophobicContact CZ-CD1 4.47Å; F424-Y482 HydrophobicContact CE1-CE2 4.33Å; F424-N508 PolarHBondContact O-N 3.24Å
425	S	88.3	Confident	88.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139	173.8	58.8	0	0	0	0	110.6	Y427 H441 K442 I506	S425-Y427 WeakPolarHBondContact OG-CE1 3.49Å; S425-Y427 VanDerWaalsContact OG-CZ 3.28Å; S425-Y427 PolarHBondContact OG-OH 2.85Å; S425-H441 WeakPolarHBondContact O-CA 3.42Å; S425-K442 PolarHBondContact O-N 2.84Å; S425-K442 WeakPolarHBondContact OG-CB 3.32Å; S425-I506 CarbonylContact C-O 3.5Å; S425-I506 VanDerWaalsContact CA-O 3.29Å; S425-I506 WeakPolarHBondContact CA-O 3.46Å
426	Y	88.9	Confident	89.2	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.4	-177.5	172.3	-98.7	0	0	0	109.8	L182 P184 P186 K428 V439 G440 L505 I506	L182-Y426 HydrophobicContact CD1-CD2 4.15Å; L182-Y426 HydrophobicContact CD1-CE2 4.11Å; P184-Y426 WeakPolarHBondContact CA-OH 3.41Å; P184-Y426 VanDerWaalsContact O-CZ 3.28Å; P184-Y426 PolarHBondContact O-OH 3.04Å; P186-Y426 HydrophobicContact CG-CD1 4.2Å; Y426-K428 HydrophobicContact CE1-CB 3.9Å; Y426-K428 HydrophobicContact CE1-CD 3.96Å; Y426-K428 HydrophobicContact CE1-CG 3.95Å; Y426-V439 HydrophobicContact CE2-CB 4.28Å; Y426-V439 HydrophobicContact CE2-CG1 4.44Å; Y426-V439 WeakPolarHBondContact OH-CG1 3.4Å; Y426-G440 WeakPolarHBondContact CD2-O 3.49Å; Y426-L505 CarbonylContact O-C 3.42Å; Y426-L505 WeakPolarHBondContact O-CA 3.4Å; Y426-I506 HydrophobicContact CD1-CD1 3.99Å; Y426-I506 PolarHBondContact N-O 3.11Å; Y426-I506 PolarHBondContact O-N 3.48Å
427	Y	91.3	Very high	89.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.2	-174.5	-40.2	-48.6	0	0	0	109.9	F388 S425 V439 G440 K442 Q489 F503 Q504 L505	F388-Y427 HydrophobicContact CE2-CD1 4.1Å; F388-Y427 HydrophobicContact CE2-CD2 4.22Å; F388-Y427 AromaticContact CE2-CE1 3.85Å; F388-Y427 HydrophobicContact CE2-CE1 3.85Å; F388-Y427 AromaticContact CE2-CE2 3.92Å; F388-Y427 HydrophobicContact CE2-CE2 3.92Å; F388-Y427 HydrophobicContact CE2-CG 4.27Å; F388-Y427 AromaticContact CE2-CZ 3.72Å; F388-Y427 HydrophobicContact CZ-CD1 4.01Å; F388-Y427 AromaticContact CZ-CD2 3.56Å; F388-Y427 HydrophobicContact CZ-CD2 3.56Å; F388-Y427 HydrophobicContact CZ-CE1 4.13Å; F388-Y427 AromaticContact CZ-CE2 3.64Å; F388-Y427 HydrophobicContact CZ-CE2 3.64Å; F388-Y427 AromaticContact CZ-CG 3.72Å; F388-Y427 HydrophobicContact CZ-CG 3.72Å; F388-Y427 AromaticContact CZ-CZ 3.92Å; S425-Y427 WeakPolarHBondContact OG-CE1 3.49Å; S425-Y427 VanDerWaalsContact OG-CZ 3.28Å; S425-Y427 PolarHBondContact OG-OH 2.85Å; Y427-V439 CarbonylContact O-C 3.55Å; Y427-V439 WeakPolarHBondContact O-CA 3.3Å; Y427-G440 PolarHBondContact N-O 2.77Å; Y427-G440 PolarHBondContact O-N 2.89Å; Y427-G440 VanDerWaalsContact O-O 3.08Å; Y427-K442 HydrophobicContact CE2-CB 4.44Å; Y427-K442 WeakPolarHBondContact OH-CB 3.1Å; Y427-Q489 PolarHBondContact OH-NE2 3.42Å; Y427-Q489 PolarHBondContact OH-OE1 3.21Å; Y427-F503 HydrophobicContact CD1-CZ 4.45Å; Y427-Q504 CarbonylContact C-O 3.59Å; Y427-Q504 WeakPolarHBondContact CA-O 3.47Å; Y427-L505 HydrophobicContact CD1-CB 4.06Å; Y427-L505 HydrophobicContact CD1-CD1 3.81Å; Y427-L505 HydrophobicContact CD1-CG 3.68Å; Y427-L505 HydrophobicContact CE1-CD1 3.47Å; Y427-L505 VanDerWaalsContact CE1-CD1 3.47Å; Y427-L505 HydrophobicContact CE1-CG 3.65Å
428	K	91.2	Very high	89.4	Confident	24 Å²	24	39.2 Å²	39.2	10%	0.104	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.3	171	63.4	176.7	-175.4	-178.8	0	112.8	Y426 I430 L436 A438 V439 F503 Q504	Y426-K428 HydrophobicContact CE1-CB 3.9Å; Y426-K428 HydrophobicContact CE1-CD 3.96Å; Y426-K428 HydrophobicContact CE1-CG 3.95Å; K428-I430 HydrophobicContact CD-CG2 4.27Å; K428-L436 HydrophobicContact CB-CD1 3.65Å; K428-L436 HydrophobicContact CD-CD1 3.95Å; K428-L436 HydrophobicContact CG-CD1 4.32Å; K428-A438 CarbonylContact C-O 3.46Å; K428-A438 WeakPolarHBondContact CA-O 3.21Å; K428-V439 HydrophobicContact CB-CG1 4.32Å; K428-F503 WeakPolarHBondContact O-CA 3.34Å; K428-Q504 HydrophobicContact CG-CB 4.08Å; K428-Q504 PolarHBondContact N-O 2.97Å; K428-Q504 PolarHBondContact O-N 3.42Å
429	V	94.3	Very high	89.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129	169.2	179.6	0	0	0	0	108.2	M437 A438 L491 L496 Y501 T502 F503 L527	V429-M437 HydrophobicContact CB-CB 4.47Å; V429-M437 HydrophobicContact CG1-CB 4.25Å; V429-M437 WeakPolarHBondContact O-CB 3.4Å; V429-M437 PolarHBondContact O-N 3.23Å; V429-A438 HydrophobicContact CB-CB 4.28Å; V429-A438 PolarHBondContact N-O 3.3Å; V429-A438 PolarHBondContact O-N 2.9Å; V429-L491 HydrophobicContact CG2-CD1 3.96Å; V429-L491 HydrophobicContact CG2-CD2 3.71Å; V429-L496 HydrophobicContact CB-CD1 4.34Å; V429-L496 HydrophobicContact CG1-CD1 3.92Å; V429-Y501 HydrophobicContact CG1-CD1 3.92Å; V429-Y501 HydrophobicContact CG1-CG 3.89Å; V429-T502 WeakPolarHBondContact CA-O 3.12Å; V429-F503 HydrophobicContact CG2-CD2 4.19Å; V429-L527 HydrophobicContact CB-CD2 4.46Å; V429-L527 HydrophobicContact CG1-CD2 3.83Å; V429-L527 HydrophobicContact CG2-CD2 3.7Å
430	I	93.4	Very high	89.1	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.7	175.5	62	168.8	0	0	0	110.7	K428 Q435 L436 Y501 T502	K428-I430 HydrophobicContact CD-CG2 4.27Å; I430-Q435 VanDerWaalsContact CA-O 3.23Å; I430-Q435 WeakPolarHBondContact CA-O 3.29Å; I430-L436 HydrophobicContact CG2-CD1 4.36Å; I430-Y501 WeakPolarHBondContact O-CB 3.36Å; I430-T502 HydrophobicContact CD1-CG2 4.39Å; I430-T502 HydrophobicContact CG1-CG2 4.32Å; I430-T502 PolarHBondContact N-O 3.02Å; I430-T502 PolarHBondContact O-N 2.95Å
431	N	94.9	Very high	89	Confident	27 Å²	27	39.6 Å²	39.6	14%	0.144	21%	0.21	C	C	.	.			trans	-92.1	177.7	173.3	72.6	13.9	0	0	0	112.2	K433 Q434 Q435 M437 Y501	N431-K433 PolarHBondContact O-N 3.49Å; N431-K433 VanDerWaalsContact OD1-CA 3.32Å; N431-K433 WeakPolarHBondContact OD1-CA 3.4Å; N431-K433 WeakPolarHBondContact OD1-CB 3.23Å; N431-K433 PolarHBondContact OD1-N 3.26Å; N431-Q434 PolarHBondContact O-N 3.46Å; N431-Q434 PolarHBondContact OD1-N 2.86Å; N431-Q435 PolarHBondContact N-O 2.73Å; N431-Q435 PolarHBondContact ND2-OE1 3.31Å; N431-Q435 WeakPolarHBondContact OD1-CB 3.45Å; N431-Q435 PolarHBondContact OD1-N 2.8Å; N431-M437 HydrophobicContact CB-CG 3.94Å; N431-M437 HydrophobicContact CB-SD 3.91Å; N431-M437 PolarHBondContact ND2-SD 3.09Å; N431-Y501 HydrophobicContact CB-CD1 4.17Å; N431-Y501 HydrophobicContact CB-CE1 4.24Å
432	A	93.9	Very high	89.1	Confident	101 Å²	101	39.1 Å²	39.1	84%	0.835	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-16.7	177.8	0	0	0	0	0	114.9
433	K	92.1	Very high	88.9	Confident	169 Å²	169	37.6 Å²	37.6	74%	0.735	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	11.6	175.2	-61.9	-179.6	180	176.5	0	112.8	N431 Q435	N431-K433 PolarHBondContact O-N 3.49Å; N431-K433 VanDerWaalsContact OD1-CA 3.32Å; N431-K433 WeakPolarHBondContact OD1-CA 3.4Å; N431-K433 WeakPolarHBondContact OD1-CB 3.23Å; N431-K433 PolarHBondContact OD1-N 3.26Å; K433-Q435 HydrophobicContact CB-CG 3.99Å; K433-Q435 PolarHBondContact O-N 2.86Å
434	Q	88.6	Confident	88.3	Confident	118 Å²	118	36.8 Å²	36.8	55%	0.551	20%	0.198	S	C	*	.			trans	60.5	26.4	-176.9	-62.1	-70.9	-29.2	0	0	112.9	N431	N431-Q434 PolarHBondContact O-N 3.46Å; N431-Q434 PolarHBondContact OD1-N 2.86Å
435	Q	89.2	Confident	88.1	Confident	104 Å²	104	36.8 Å²	36.8	49%	0.486	20%	0.198	S	C	.	.			trans	-89.1	134.3	175	-56.1	175.4	-66.8	0	0	109.4	I430 N431 K433 M437	I430-Q435 VanDerWaalsContact CA-O 3.23Å; I430-Q435 WeakPolarHBondContact CA-O 3.29Å; N431-Q435 PolarHBondContact N-O 2.73Å; N431-Q435 PolarHBondContact ND2-OE1 3.31Å; N431-Q435 WeakPolarHBondContact OD1-CB 3.45Å; N431-Q435 PolarHBondContact OD1-N 2.8Å; K433-Q435 HydrophobicContact CB-CG 3.99Å; K433-Q435 PolarHBondContact O-N 2.86Å; Q435-M437 HydrophobicContact CB-SD 4.47Å; Q435-M437 WeakPolarHBondContact O-CG 3.48Å; Q435-M437 PolarHBondContact O-N 3.07Å
436	L	88.4	Confident	88.2	Confident	67 Å²	67	36.9 Å²	36.9	35%	0.351	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122.2	174.7	-170.5	66.7	0	0	0	110.6	P184 K428 I430 V439	P184-L436 HydrophobicContact CB-CD2 3.63Å; P184-L436 HydrophobicContact CG-CD2 4.5Å; K428-L436 HydrophobicContact CB-CD1 3.65Å; K428-L436 HydrophobicContact CD-CD1 3.95Å; K428-L436 HydrophobicContact CG-CD1 4.32Å; I430-L436 HydrophobicContact CG2-CD1 4.36Å; L436-V439 HydrophobicContact CD1-CG1 3.62Å; L436-V439 HydrophobicContact CD2-CG1 3.63Å; L436-V439 HydrophobicContact CG-CG1 3.83Å
437	M	91.8	Very high	88.4	Confident	74 Å²	74	36.9 Å²	36.9	37%	0.365	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-37.5	-175.4	-57.6	-57.3	-54.8	0	0	112.3	V429 N431 Q435 L496 Y501	V429-M437 HydrophobicContact CB-CB 4.47Å; V429-M437 HydrophobicContact CG1-CB 4.25Å; V429-M437 WeakPolarHBondContact O-CB 3.4Å; V429-M437 PolarHBondContact O-N 3.23Å; N431-M437 HydrophobicContact CB-CG 3.94Å; N431-M437 HydrophobicContact CB-SD 3.91Å; N431-M437 PolarHBondContact ND2-SD 3.09Å; Q435-M437 HydrophobicContact CB-SD 4.47Å; Q435-M437 WeakPolarHBondContact O-CG 3.48Å; Q435-M437 PolarHBondContact O-N 3.07Å; M437-L496 HydrophobicContact CB-CD2 3.73Å; M437-L496 HydrophobicContact CE-CD2 4.33Å; M437-Y501 HydrophobicContact CE-CE1 4.37Å; M437-Y501 HydrophobicContact CG-CD1 4.08Å; M437-Y501 HydrophobicContact CG-CE1 3.97Å
438	A	90.5	Very high	88.6	Confident	16 Å²	16	39.2 Å²	39.2	13%	0.132	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153.6	177.4	0	0	0	0	0	109.9	K428 V429 L491 L496	K428-A438 CarbonylContact C-O 3.46Å; K428-A438 WeakPolarHBondContact CA-O 3.21Å; V429-A438 HydrophobicContact CB-CB 4.28Å; V429-A438 PolarHBondContact N-O 3.3Å; V429-A438 PolarHBondContact O-N 2.9Å; A438-L491 HydrophobicContact CB-CD2 3.63Å; A438-L491 HydrophobicContact CB-CG 4.44Å; A438-L496 HydrophobicContact CB-CD1 4.3Å; A438-L496 HydrophobicContact CB-CD2 4.45Å
439	V	89.6	Confident	88.9	Confident	36 Å²	36	38.2 Å²	38.2	22%	0.218	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.3	-179.2	-64.4	0	0	0	0	109.9	L182 P184 Y426 Y427 K428 L436	L182-V439 HydrophobicContact CD2-CB 4.18Å; L182-V439 HydrophobicContact CD2-CG2 3.58Å; P184-V439 HydrophobicContact CB-CG1 4.15Å; Y426-V439 HydrophobicContact CE2-CB 4.28Å; Y426-V439 HydrophobicContact CE2-CG1 4.44Å; Y426-V439 WeakPolarHBondContact OH-CG1 3.4Å; Y427-V439 CarbonylContact O-C 3.55Å; Y427-V439 WeakPolarHBondContact O-CA 3.3Å; K428-V439 HydrophobicContact CB-CG1 4.32Å; L436-V439 HydrophobicContact CD1-CG1 3.62Å; L436-V439 HydrophobicContact CD2-CG1 3.63Å; L436-V439 HydrophobicContact CG-CG1 3.83Å
440	G	87.8	Confident	89	Confident	3 Å²	3	40.3 Å²	40.3	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	171.2	172.9	0	0	0	0	0	109.4	Y426 Y427	Y426-G440 WeakPolarHBondContact CD2-O 3.49Å; Y427-G440 PolarHBondContact N-O 2.77Å; Y427-G440 PolarHBondContact O-N 2.89Å; Y427-G440 VanDerWaalsContact O-O 3.08Å
441	H	87.4	Confident	89.1	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.3	175	63.5	-68.3	0	0	0	108	L130 L182 N361 V423 S425 A443	L130-H441 WeakPolarHBondContact CD2-CE1 3.48Å; L130-H441 WeakPolarHBondContact CD2-NE2 3.23Å; L182-H441 HydrophobicContact CD1-CB 4.21Å; N361-H441 PolarHBondContact O-CE1 2.99Å; V423-H441 HydrophobicContact CG1-CB 4.26Å; S425-H441 WeakPolarHBondContact O-CA 3.42Å; H441-A443 PolarHBondContact CD2-N 3.43Å; H441-A443 PolarHBondContact O-N 2.96Å; H441-A443 VanDerWaalsContact O-N 3.11Å
442	K	87.6	Confident	89.3	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.026	23%	0.232	C	C	.	.			trans	-77.5	95.6	164.1	-177	56.7	-177.8	136.5	0	108.4	S425 Y427 S444 F445 Y482 D487 C488	S425-K442 PolarHBondContact O-N 2.84Å; S425-K442 WeakPolarHBondContact OG-CB 3.32Å; Y427-K442 HydrophobicContact CE2-CB 4.44Å; Y427-K442 WeakPolarHBondContact OH-CB 3.1Å; K442-S444 WeakPolarHBondContact CE-O 3.43Å; K442-S444 PolarHBondContact NZ-O 2.03Å; K442-F445 HydrophobicContact CG-CD2 4.47Å; K442-Y482 HydrophobicContact CD-CD1 4.2Å; K442-Y482 VanDerWaalsContact CE-CD1 3.48Å; K442-Y482 HydrophobicContact CG-CD1 4.18Å; K442-D487 PolarHBondContact NZ-O 3.39Å; K442-C488 HydrophobicContact CD-CB 4.5Å
443	A	72.9	Confident	89.4	Confident	7 Å²	7	42.1 Å²	42.1	6%	0.058	21%	0.214	C	C	.	.			trans	-70.1	154.4	157.4	0	0	0	0	0	108.6	E360 C362 H441 C488	E360-A443 HydrophobicContact CB-CB 3.95Å; C362-A443 WeakPolarHBondContact SG-CB 3.5Å; H441-A443 PolarHBondContact CD2-N 3.43Å; H441-A443 PolarHBondContact O-N 2.96Å; H441-A443 VanDerWaalsContact O-N 3.11Å; A443-C488 HydrophobicContact CB-CB 4.09Å
444	S	67	Low	89.5	Confident	8 Å²	8	42 Å²	42	6%	0.056	22%	0.221	C	C	.	.	S	Bend	trans	73	77.6	166.4	-54.5	0	0	0	0	115.8	E360 H415 H419 K442	E360-S444 WeakPolarHBondContact CG-OG 3.43Å; E360-S444 WeakPolarHBondContact OE1-CB 3.37Å; E360-S444 PolarHBondContact OE1-OG 2.97Å; E360-S444 WeakPolarHBondContact OE2-CB 3.3Å; E360-S444 PolarHBondContact OE2-OG 3.24Å; H415-S444 VanDerWaalsContact CE1-CB 3.49Å; H415-S444 WeakPolarHBondContact CE1-CB 3.46Å; H415-S444 VanDerWaalsContact ND1-CB 3.31Å; H415-S444 WeakPolarHBondContact ND1-CB 3.16Å; H419-S444 WeakPolarHBondContact CE1-CA 3.48Å; H419-S444 WeakPolarHBondContact CE1-CB 3.3Å; H419-S444 PolarHBondContact CE1-OG 3.26Å; H419-S444 WeakPolarHBondContact ND1-CA 3.02Å; H419-S444 PolarHBondContact ND1-OG 3.19Å; H419-S444 VanDerWaalsContact NE2-CA 3.32Å; H419-S444 WeakPolarHBondContact NE2-CA 3.19Å; H419-S444 WeakPolarHBondContact NE2-CB 3.48Å; H419-S444 PolarHBondContact NE2-OG 2.8Å; K442-S444 WeakPolarHBondContact CE-O 3.43Å; K442-S444 PolarHBondContact NZ-O 2.03Å
445	F	81.8	Confident	89.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.			trans	-135.8	120.3	-158.8	178.9	-98.6	0	0	0	109.9	H419 S420 M421 F424 K442 L447 Y482	H419-F445 WeakPolarHBondContact CA-O 3.39Å; H419-F445 PolarHBondContact CD2-N 3.15Å; S420-F445 PolarHBondContact N-O 2.66Å; S420-F445 VanDerWaalsContact N-O 3.11Å; M421-F445 HydrophobicContact CB-CD1 3.93Å; M421-F445 HydrophobicContact CB-CE1 4.39Å; M421-F445 HydrophobicContact CG-CD1 4.23Å; M421-F445 HydrophobicContact CG-CE1 4.27Å; M421-F445 HydrophobicContact SD-CD1 4.33Å; M421-F445 HydrophobicContact SD-CE1 3.82Å; F424-F445 HydrophobicContact CB-CB 4.49Å; F424-F445 HydrophobicContact CB-CD1 3.74Å; F424-F445 HydrophobicContact CB-CD2 3.73Å; F424-F445 HydrophobicContact CB-CE1 3.68Å; F424-F445 HydrophobicContact CB-CE2 3.7Å; F424-F445 HydrophobicContact CB-CG 3.72Å; F424-F445 HydrophobicContact CB-CZ 3.69Å; F424-F445 AromaticContact CD1-CD2 3.67Å; F424-F445 HydrophobicContact CD1-CD2 3.67Å; F424-F445 HydrophobicContact CD1-CE1 4.01Å; F424-F445 AromaticContact CD1-CE2 2.9Å; F424-F445 HydrophobicContact CD1-CE2 2.9Å; F424-F445 HydrophobicContact CD1-CG 4.45Å; F424-F445 AromaticContact CD1-CZ 3.12Å; F424-F445 HydrophobicContact CD1-CZ 3.12Å; F424-F445 HydrophobicContact CD2-CD1 4.48Å; F424-F445 AromaticContact CD2-CE1 3.59Å; F424-F445 HydrophobicContact CD2-CE1 3.59Å; F424-F445 HydrophobicContact CD2-CE2 4.05Å; F424-F445 AromaticContact CD2-CZ 3.36Å; F424-F445 HydrophobicContact CD2-CZ 3.36Å; F424-F445 HydrophobicContact CE1-CD2 4.37Å; F424-F445 HydrophobicContact CE1-CE1 4.39Å; F424-F445 AromaticContact CE1-CE2 3.24Å; F424-F445 HydrophobicContact CE1-CE2 3.24Å; F424-F445 AromaticContact CE1-CZ 3.26Å; F424-F445 HydrophobicContact CE1-CZ 3.26Å; F424-F445 HydrophobicContact CE2-CE1 4.13Å; F424-F445 HydrophobicContact CE2-CE2 4.39Å; F424-F445 AromaticContact CE2-CZ 3.61Å; F424-F445 HydrophobicContact CE2-CZ 3.61Å; F424-F445 HydrophobicContact CG-CD1 4.08Å; F424-F445 AromaticContact CG-CD2 3.88Å; F424-F445 HydrophobicContact CG-CD2 3.88Å; F424-F445 AromaticContact CG-CE1 3.5Å; F424-F445 HydrophobicContact CG-CE1 3.5Å; F424-F445 AromaticContact CG-CE2 3.3Å; F424-F445 HydrophobicContact CG-CE2 3.3Å; F424-F445 HydrophobicContact CG-CG 4.21Å; F424-F445 AromaticContact CG-CZ 3.09Å; F424-F445 HydrophobicContact CG-CZ 3.09Å; F424-F445 HydrophobicContact CZ-CE1 4.49Å; F424-F445 HydrophobicContact CZ-CE2 4.02Å; F424-F445 AromaticContact CZ-CZ 3.54Å; F424-F445 HydrophobicContact CZ-CZ 3.54Å; K442-F445 HydrophobicContact CG-CD2 4.47Å; F445-L447 HydrophobicContact CD1-CG 4.36Å; F445-L447 HydrophobicContact CE1-CB 4.45Å; F445-L447 HydrophobicContact CE1-CD1 4.2Å; F445-L447 HydrophobicContact CE1-CD2 3.3Å; F445-L447 HydrophobicContact CE1-CG 3.32Å; F445-L447 HydrophobicContact CE2-CD2 4.29Å; F445-L447 HydrophobicContact CZ-CD2 3.08Å; F445-L447 HydrophobicContact CZ-CG 3.64Å; F445-Y482 AromaticContact CD2-CE1 3.54Å; F445-Y482 HydrophobicContact CD2-CE1 3.54Å; F445-Y482 AromaticContact CD2-CE2 3.98Å; F445-Y482 HydrophobicContact CD2-CE2 3.98Å; F445-Y482 AromaticContact CD2-CZ 3.24Å; F445-Y482 WeakPolarHBondContact CD2-OH 3.43Å; F445-Y482 HydrophobicContact CE2-CD2 4.49Å; F445-Y482 AromaticContact CE2-CE1 3.87Å; F445-Y482 HydrophobicContact CE2-CE1 3.87Å; F445-Y482 AromaticContact CE2-CE2 3.42Å; F445-Y482 HydrophobicContact CE2-CE2 3.42Å; F445-Y482 VanDerWaalsContact CE2-CE2 3.42Å; F445-Y482 AromaticContact CE2-CZ 3.06Å; F445-Y482 WeakPolarHBondContact CE2-OH 3.05Å; F445-Y482 HydrophobicContact CZ-CE2 4.48Å
446	C	90.2	Very high	90.1	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.02	24%	0.237	C	C	.	.			trans	-124.4	124.6	170.4	172.2	0	0	0	0	108.1	H417 Y418 E448 C462 Q472 Y482	H417-C446 WeakPolarHBondContact ND1-CB 3.28Å; Y418-C446 WeakPolarHBondContact O-CB 3.34Å; C446-E448 PolarHBondContact O-N 3.31Å; C446-C462 HydrophobicContact CB-CB 4Å; C446-C462 WeakPolarHBondContact CB-SG 3.3Å; C446-C462 VanDerWaalsContact SG-CA 3.51Å; C446-C462 WeakPolarHBondContact SG-CB 3.48Å; C446-C462 CovalentContact SG-SG 2Å; C446-C462 PolarHBondContact SG-SG 3.32Å; C446-Q472 PolarHBondContact SG-NE2 3.46Å; C446-Q472 PolarHBondContact SG-OE1 2.76Å; C446-Q472 VanDerWaalsContact SG-OE1 3.39Å; C446-Y482 PolarHBondContact O-OH 3.39Å; C446-Y482 VanDerWaalsContact O-OH 3.14Å
447	L	93.6	Very high	90.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.			trans	-74.4	120.5	179.7	-67	163.4	0	0	0	110.3	F400 P402 M421 F424 F445 Q472 G473 I474 D480	F400-L447 HydrophobicContact CD1-CD1 3.81Å; F400-L447 HydrophobicContact CD1-CD2 3.86Å; F400-L447 HydrophobicContact CE1-CD1 3.99Å; F400-L447 HydrophobicContact CE1-CD2 4.08Å; P402-L447 HydrophobicContact CB-CD1 4.34Å; P402-L447 VanDerWaalsContact CD-CD1 3.49Å; P402-L447 HydrophobicContact CG-CD1 3.64Å; M421-L447 HydrophobicContact SD-CD1 4.42Å; F424-L447 HydrophobicContact CE2-CD2 4.1Å; F424-L447 HydrophobicContact CZ-CD2 4.18Å; F445-L447 HydrophobicContact CD1-CG 4.36Å; F445-L447 HydrophobicContact CE1-CB 4.45Å; F445-L447 HydrophobicContact CE1-CD1 4.2Å; F445-L447 HydrophobicContact CE1-CD2 3.3Å; F445-L447 HydrophobicContact CE1-CG 3.32Å; F445-L447 HydrophobicContact CE2-CD2 4.29Å; F445-L447 HydrophobicContact CZ-CD2 3.08Å; F445-L447 HydrophobicContact CZ-CG 3.64Å; L447-Q472 HydrophobicContact CB-CB 4.15Å; L447-Q472 VanDerWaalsContact N-OE1 3.12Å; L447-Q472 WeakPolarHBondContact O-CA 3.32Å; L447-G473 CarbonylContact C-O 3.6Å; L447-G473 VanDerWaalsContact CB-N 3.33Å; L447-G473 PolarHBondContact O-N 2.94Å; L447-G473 VanDerWaalsContact O-N 3.1Å; L447-I474 HydrophobicContact CB-CG1 4.37Å; L447-I474 HydrophobicContact CD2-CD1 3.59Å; L447-I474 HydrophobicContact CD2-CG1 3.74Å; L447-D480 WeakPolarHBondContact CA-OD2 3.5Å
448	E	94.9	Very high	90.6	Very high	49 Å²	49	49.5 Å²	49.5	23%	0.229	27%	0.266	C	S	.	.			trans	-145.6	161.7	175	60.8	174.2	-173.3	0	0	114.5	C446 N450 C462 D480	C446-E448 PolarHBondContact O-N 3.31Å; E448-N450 PolarHBondContact O-N 3.43Å; E448-N450 PolarHBondContact OE1-ND2 2.83Å; E448-C462 VanDerWaalsContact CD-SG 3.57Å; E448-C462 PolarHBondContact OE2-N 2.96Å; E448-C462 PolarHBondContact OE2-SG 3.34Å; E448-D480 PolarHBondContact N-OD2 3.08Å; E448-D480 WeakPolarHBondContact O-CB 3.36Å
449	D	97.3	Very high	90.9	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.289	C	S	.	.			trans	-87.5	79	177.7	-65.5	-42.5	0	0	0	110.9	A451 K458 H459 F460 S475 C478	D449-A451 VanDerWaalsContact C-N 3.33Å; D449-A451 PolarHBondContact O-N 3.5Å; D449-K458 HydrophobicContact CB-CB 3.85Å; D449-K458 HydrophobicContact CB-CG 3.94Å; D449-K458 WeakPolarHBondContact O-CD 3.44Å; D449-K458 WeakPolarHBondContact O-CE 3.25Å; D449-K458 WeakPolarHBondContact O-CG 3.38Å; D449-K458 PolarHBondContact O-NZ 3.31Å; D449-H459 PolarHBondContact OD2-N 2.95Å; D449-F460 PolarHBondContact N-O 2.85Å; D449-F460 WeakPolarHBondContact OD2-CD2 3.43Å; D449-F460 PolarHBondContact OD2-N 2.85Å; D449-S475 WeakPolarHBondContact OD1-CB 3.33Å; D449-S475 PolarHBondContact OD1-N 2.86Å; D449-S475 WeakPolarHBondContact OD2-CB 3.49Å; D449-S475 PolarHBondContact OD2-OG 2.03Å; D449-C478 HydrophobicContact CB-CB 4.08Å; D449-C478 WeakPolarHBondContact OD1-CB 3.48Å
450	N	95.8	Very high	91.2	Very high	44 Å²	44	53.4 Å²	53.4	24%	0.235	28%	0.279	C	S	.	.	S	Bend	trans	-67.3	-31.5	178.6	-65.6	127	0	0	0	113.4	E448 K458 Q479 D480 N481	E448-N450 PolarHBondContact O-N 3.43Å; E448-N450 PolarHBondContact OE1-ND2 2.83Å; N450-K458 WeakPolarHBondContact O-CE 3.47Å; N450-K458 PolarHBondContact O-NZ 2.8Å; N450-Q479 PolarHBondContact N-O 3.06Å; N450-D480 PolarHBondContact OD1-OD1 3.07Å; N450-N481 HydrophobicContact CB-CB 4.07Å; N450-N481 WeakPolarHBondContact CB-ND2 3.29Å; N450-N481 PolarHBondContact OD1-N 3.1Å
451	A	96.7	Very high	91.5	Very high	31 Å²	31	58 Å²	58	26%	0.256	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.9	172.1	0	0	0	0	0	110.8	D449 C478 Q479	D449-A451 VanDerWaalsContact C-N 3.33Å; D449-A451 PolarHBondContact O-N 3.5Å; A451-C478 CarbonylContact O-C 3.55Å; A451-C478 VanDerWaalsContact O-CA 3.29Å; A451-C478 WeakPolarHBondContact O-CA 3.38Å; A451-C478 WeakPolarHBondContact O-CB 3.37Å; A451-Q479 HydrophobicContact CB-CG 3.81Å; A451-Q479 PolarHBondContact N-O 3.04Å; A451-Q479 PolarHBondContact O-N 2.91Å
452	C	97.8	Very high	91.7	Very high	34 Å²	34	58.2 Å²	58.2	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.3	176	-51.5	0	0	0	0	111.4	K458 C478	C452-K458 VanDerWaalsContact SG-CG 3.52Å; C452-C478 HydrophobicContact CB-CB 4Å; C452-C478 WeakPolarHBondContact CB-SG 3.21Å; C452-C478 WeakPolarHBondContact SG-CB 3.42Å; C452-C478 CovalentContact SG-SG 2.04Å; C452-C478 PolarHBondContact SG-SG 3.4Å
453	K	96	Very high	91.8	Very high	105 Å²	105	58.6 Å²	58.6	46%	0.457	31%	0.312	S	S	.	.			trans	-61.2	154.6	170.9	-68.4	175.3	-177.2	171.8	0	110.1	G455 Y456 G477	K453-G455 PolarHBondContact O-N 2.79Å; K453-Y456 HydrophobicContact CB-CD2 3.8Å; K453-Y456 HydrophobicContact CB-CE2 4.25Å; K453-Y456 WeakPolarHBondContact O-CB 3.36Å; K453-Y456 PolarHBondContact O-N 2.78Å; K453-G477 PolarHBondContact N-O 3.06Å
454	N	95.6	Very high	92.6	Very high	168 Å²	168	63.3 Å²	63.3	90%	0.898	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	129.9	177.1	-71.5	-16.3	0	0	0	111.2
455	G	94.4	Very high	93.5	Very high	83 Å²	83	65.7 Å²	65.7	86%	0.856	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-17.9	-178.1	0	0	0	0	0	114.7	K453	K453-G455 PolarHBondContact O-N 2.79Å
456	Y	95.8	Very high	93.8	Very high	131 Å²	131	70.9 Å²	70.9	51%	0.514	38%	0.382	S	S	.	.			trans	-90.3	152.6	173.7	-65.5	-92.2	0	0	0	110.8	K453 P476	K453-Y456 HydrophobicContact CB-CD2 3.8Å; K453-Y456 HydrophobicContact CB-CE2 4.25Å; K453-Y456 WeakPolarHBondContact O-CB 3.36Å; K453-Y456 PolarHBondContact O-N 2.78Å; Y456-P476 WeakPolarHBondContact CD1-O 3.02Å; Y456-P476 WeakPolarHBondContact CE1-O 3.08Å
457	K	94.3	Very high	93.6	Very high	184 Å²	184	76.8 Å²	76.8	80%	0.8	42%	0.417	S	S	*	.			trans	-117.8	137.8	-179.5	-67.2	-176.8	-179.3	179	0	109.7
458	K	95.9	Very high	93.2	Very high	122 Å²	122	80.5 Å²	80.5	53%	0.53	44%	0.44	S	S	.	.			trans	-63.1	136.7	168.7	-61.1	179.9	168.7	-162.8	0	109.7	D449 N450 C452	D449-K458 HydrophobicContact CB-CB 3.85Å; D449-K458 HydrophobicContact CB-CG 3.94Å; D449-K458 WeakPolarHBondContact O-CD 3.44Å; D449-K458 WeakPolarHBondContact O-CE 3.25Å; D449-K458 WeakPolarHBondContact O-CG 3.38Å; D449-K458 PolarHBondContact O-NZ 3.31Å; N450-K458 WeakPolarHBondContact O-CE 3.47Å; N450-K458 PolarHBondContact O-NZ 2.8Å; C452-K458 VanDerWaalsContact SG-CG 3.52Å
459	H	96.2	Very high	92.9	Very high	130 Å²	130	83.3 Å²	83.3	60%	0.602	45%	0.448	S	S	*	.			trans	-125.4	-44.4	177.9	-176.5	-129.8	0	0	0	111.4	D449 S475	D449-H459 PolarHBondContact OD2-N 2.95Å; H459-S475 WeakPolarHBondContact CB-OG 2.96Å
460	F	96	Very high	92.6	Very high	4 Å²	4	85.1 Å²	85.1	2%	0.018	47%	0.468	C	S	.	.			trans	-91.6	128.5	-176.3	-57.7	-74.5	0	0	0	111	V399 D449 D471 G473 S475	V399-F460 HydrophobicContact CB-CE2 4.27Å; V399-F460 HydrophobicContact CB-CZ 4.31Å; V399-F460 HydrophobicContact CG1-CD2 4.37Å; V399-F460 HydrophobicContact CG1-CE1 4.41Å; V399-F460 HydrophobicContact CG1-CE2 3.36Å; V399-F460 HydrophobicContact CG1-CZ 3.4Å; V399-F460 HydrophobicContact CG2-CE2 3.85Å; V399-F460 HydrophobicContact CG2-CZ 3.93Å; D449-F460 PolarHBondContact N-O 2.85Å; D449-F460 WeakPolarHBondContact OD2-CD2 3.43Å; D449-F460 PolarHBondContact OD2-N 2.85Å; F460-D471 HydrophobicContact CD1-CB 4.39Å; F460-D471 HydrophobicContact CE1-CB 4.46Å; F460-D471 WeakPolarHBondContact CE1-OD2 3.46Å; F460-G473 WeakPolarHBondContact CB-O 3.36Å; F460-G473 VanDerWaalsContact CD2-C 3.4Å; F460-G473 VanDerWaalsContact CD2-O 3.25Å; F460-G473 WeakPolarHBondContact CD2-O 3.22Å; F460-G473 VanDerWaalsContact CG-O 3.28Å; F460-G473 WeakPolarHBondContact CG-O 3.33Å; F460-S475 WeakPolarHBondContact CD2-OG 2.74Å; F460-S475 VanDerWaalsContact CE2-OG 3.26Å; F460-S475 WeakPolarHBondContact CE2-OG 3.24Å
461	V	93.5	Very high	92.4	Very high	99 Å²	99	86.2 Å²	86.2	60%	0.6	47%	0.474	S	S	*	.			trans	-137.6	128	174.9	179.7	0	0	0	0	107	S463	V461-S463 PolarHBondContact O-N 3.24Å
462	C	92.4	Very high	92.3	Very high	11 Å²	11	84.8 Å²	84.8	7%	0.074	46%	0.462	C	S	.	.			trans	-59.9	134.4	-179.4	-67.3	0	0	0	0	111.7	H417 C446 E448 T464	H417-C462 HydrophobicContact CB-CB 4.32Å; C446-C462 HydrophobicContact CB-CB 4Å; C446-C462 WeakPolarHBondContact CB-SG 3.3Å; C446-C462 VanDerWaalsContact SG-CA 3.51Å; C446-C462 WeakPolarHBondContact SG-CB 3.48Å; C446-C462 CovalentContact SG-SG 2Å; C446-C462 PolarHBondContact SG-SG 3.32Å; E448-C462 VanDerWaalsContact CD-SG 3.57Å; E448-C462 PolarHBondContact OE2-N 2.96Å; E448-C462 PolarHBondContact OE2-SG 3.34Å; C462-T464 PolarHBondContact O-N 3.45Å
463	S	90.2	Very high	92.2	Very high	13 Å²	13	83.2 Å²	83.2	9%	0.091	45%	0.451	C	S	.	.			trans	-65.6	131.4	172.7	-178.4	0	0	0	0	110.2	H417 V461 T465 T468	H417-S463 WeakPolarHBondContact CA-O 2.85Å; H417-S463 WeakPolarHBondContact CB-O 3.35Å; V461-S463 PolarHBondContact O-N 3.24Å; S463-T465 WeakPolarHBondContact OG-CG2 3.5Å; S463-T465 PolarHBondContact OG-N 2.85Å; S463-T465 PolarHBondContact OG-O 3.47Å; S463-T468 WeakPolarHBondContact CB-O 3.4Å; S463-T468 PolarHBondContact OG-O 3.15Å; S463-T468 PolarHBondContact OG-OG1 3.26Å
464	T	88.3	Confident	92.2	Very high	107 Å²	107	78.2 Å²	78.2	66%	0.656	43%	0.429	S	S	*	.			trans	-100.8	13.1	177.3	56.5	0	0	0	0	113.6	M416 C462	M416-T464 VanDerWaalsContact O-CA 3.23Å; M416-T464 WeakPolarHBondContact O-CA 3.38Å; C462-T464 PolarHBondContact O-N 3.45Å
465	T	88	Confident	92.3	Very high	57 Å²	57	70.7 Å²	70.7	35%	0.35	39%	0.39	S	S	.	.	S	Bend	trans	-130	141.5	-176.1	177.2	0	0	0	0	112.6	W411 S463 V467 T468	W411-T465 VanDerWaalsContact CZ3-C 3.44Å; W411-T465 WeakPolarHBondContact CZ3-O 3.44Å; S463-T465 WeakPolarHBondContact OG-CG2 3.5Å; S463-T465 PolarHBondContact OG-N 2.85Å; S463-T465 PolarHBondContact OG-O 3.47Å; T465-V467 HydrophobicContact CG2-CG2 4.02Å; T465-V467 PolarHBondContact O-N 3.29Å; T465-V467 VanDerWaalsContact OG1-CG2 3.22Å; T465-V467 WeakPolarHBondContact OG1-CG2 3.05Å; T465-V467 PolarHBondContact OG1-N 3.38Å; T465-T468 WeakPolarHBondContact CG2-OG1 3.41Å; T465-T468 VanDerWaalsContact O-O 3.08Å
466	L	86.3	Confident	92.5	Very high	110 Å²	110	68.2 Å²	68.2	58%	0.576	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.5	176.2	-83.2	165.3	0	0	0	114	W411 Y418	W411-L466 HydrophobicContact CB-CD2 4.08Å; W411-L466 HydrophobicContact CD2-CD2 3.44Å; W411-L466 VanDerWaalsContact CD2-CD2 3.44Å; W411-L466 HydrophobicContact CD2-CG 3.97Å; W411-L466 VanDerWaalsContact CE2-CD2 3.44Å; W411-L466 HydrophobicContact CE3-CD2 4.21Å; W411-L466 HydrophobicContact CG-CD2 3.34Å; W411-L466 HydrophobicContact CG-CG 4.35Å; W411-L466 HydrophobicContact CH2-CG 4.34Å; W411-L466 HydrophobicContact CZ2-CD2 4.16Å; W411-L466 HydrophobicContact CZ2-CG 3.78Å; Y418-L466 PolarHBondContact OH-O 3.49Å
467	V	85.8	Confident	92.6	Very high	127 Å²	127	62.3 Å²	62.3	77%	0.77	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-21.6	-173.6	-65.6	0	0	0	0	113.8	T465	T465-V467 HydrophobicContact CG2-CG2 4.02Å; T465-V467 PolarHBondContact O-N 3.29Å; T465-V467 VanDerWaalsContact OG1-CG2 3.22Å; T465-V467 WeakPolarHBondContact OG1-CG2 3.05Å; T465-V467 PolarHBondContact OG1-N 3.38Å
468	T	87.2	Confident	92.8	Very high	77 Å²	77	53.5 Å²	53.5	47%	0.472	30%	0.299	S	S	.	.			trans	-130.5	128.9	-179.8	59.3	0	0	0	0	110	Y418 S463 T465 G470	Y418-T468 WeakPolarHBondContact CE2-O 3.33Å; S463-T468 WeakPolarHBondContact CB-O 3.4Å; S463-T468 PolarHBondContact OG-O 3.15Å; S463-T468 PolarHBondContact OG-OG1 3.26Å; T465-T468 WeakPolarHBondContact CG2-OG1 3.41Å; T465-T468 VanDerWaalsContact O-O 3.08Å; T468-G470 VanDerWaalsContact C-N 3.26Å; T468-G470 PolarHBondContact O-N 2.74Å
469	R	88.4	Confident	92.8	Very high	109 Å²	109	49.4 Å²	49.4	41%	0.411	28%	0.282	S	S	.	.			trans	-68.4	-26.5	175.9	-71.4	-179	169.7	90.1	-6	113.4	P406 W409 Y418	P406-R469 WeakPolarHBondContact O-CD 3.49Å; P406-R469 PolarHBondContact O-NE 2.77Å; W409-R469 HydrophobicContact CE3-CB 4.08Å; W409-R469 HydrophobicContact CZ3-CB 4.29Å; Y418-R469 HydrophobicContact CD1-CG 4.11Å; Y418-R469 HydrophobicContact CD2-CB 4.38Å; Y418-R469 HydrophobicContact CD2-CG 4.32Å; Y418-R469 HydrophobicContact CE1-CG 3.82Å; Y418-R469 HydrophobicContact CE2-CB 4.39Å; Y418-R469 HydrophobicContact CE2-CG 4.05Å; Y418-R469 HydrophobicContact CG-CG 4.35Å
470	G	89.1	Confident	92.8	Very high	41 Å²	41	43.3 Å²	43.3	42%	0.423	25%	0.254	S	S	.	.			trans	73.7	-171.9	-173	0	0	0	0	0	112.2	W409 T468	W409-G470 WeakPolarHBondContact CZ3-O 3.44Å; T468-G470 VanDerWaalsContact C-N 3.26Å; T468-G470 PolarHBondContact O-N 2.74Å
471	D	92.4	Very high	92.8	Very high	68 Å²	68	44 Å²	44	36%	0.364	26%	0.258	S	S	.	.			trans	-115.3	145.3	168.1	-166	9.8	0	0	0	108.2	R401 F460	R401-D471 IonicContact CZ-OD1 3.66Å; R401-D471 IonicContact CZ-OD2 2.66Å; R401-D471 VanDerWaalsContact NH1-CG 3.34Å; R401-D471 IonicContact NH1-OD1 2.79Å; R401-D471 PolarHBondContact NH1-OD1 2.04Å; R401-D471 IonicContact NH1-OD2 3.14Å; R401-D471 PolarHBondContact NH1-OD2 3.29Å; R401-D471 IonicContact NH2-OD1 3.71Å; R401-D471 IonicContact NH2-OD2 3.25Å; R401-D471 PolarHBondContact NH2-OD2 3.29Å; F460-D471 HydrophobicContact CD1-CB 4.39Å; F460-D471 HydrophobicContact CE1-CB 4.46Å; F460-D471 WeakPolarHBondContact CE1-OD2 3.46Å
472	Q	95.1	Very high	92.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.232	C	C	.	.			trans	-129.6	140	-175.8	-66.8	-167.1	26.1	0	0	110.5	R401 P402 W409 Y418 S420 C446 L447	R401-Q472 PolarHBondContact NH1-O 3.24Å; P402-Q472 WeakPolarHBondContact CD-O 3.16Å; P402-Q472 HydrophobicContact CG-CB 4.1Å; W409-Q472 HydrophobicContact CE3-CG 4.37Å; W409-Q472 HydrophobicContact CH2-CB 3.85Å; W409-Q472 HydrophobicContact CH2-CG 3.86Å; W409-Q472 HydrophobicContact CZ2-CB 4.3Å; W409-Q472 HydrophobicContact CZ3-CB 4.28Å; W409-Q472 HydrophobicContact CZ3-CG 3.75Å; Y418-Q472 PolarHBondContact O-NE2 2.89Å; S420-Q472 PolarHBondContact OG-OE1 3.07Å; C446-Q472 PolarHBondContact SG-NE2 3.46Å; C446-Q472 PolarHBondContact SG-OE1 2.76Å; C446-Q472 VanDerWaalsContact SG-OE1 3.39Å; L447-Q472 HydrophobicContact CB-CB 4.15Å; L447-Q472 VanDerWaalsContact N-OE1 3.12Å; L447-Q472 WeakPolarHBondContact O-CA 3.32Å
473	G	95.5	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.			trans	171.2	174.3	176.5	0	0	0	0	0	112.5	F400 L447 F460	F400-G473 CarbonylContact O-C 3.55Å; F400-G473 WeakPolarHBondContact O-CA 3.39Å; L447-G473 CarbonylContact C-O 3.6Å; L447-G473 VanDerWaalsContact CB-N 3.33Å; L447-G473 PolarHBondContact O-N 2.94Å; L447-G473 VanDerWaalsContact O-N 3.1Å; F460-G473 WeakPolarHBondContact CB-O 3.36Å; F460-G473 VanDerWaalsContact CD2-C 3.4Å; F460-G473 VanDerWaalsContact CD2-O 3.25Å; F460-G473 WeakPolarHBondContact CD2-O 3.22Å; F460-G473 VanDerWaalsContact CG-O 3.28Å; F460-G473 WeakPolarHBondContact CG-O 3.33Å
474	I	96.9	Very high	93	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-118.6	117.1	170.5	-53.7	168	0	0	0	107.1	L333 N394 V399 F400 F424 L447 C478 D480	L333-I474 HydrophobicContact CD2-CD1 4.15Å; N394-I474 HydrophobicContact CB-CB 4.15Å; N394-I474 HydrophobicContact CB-CG2 3.59Å; N394-I474 PolarHBondContact ND2-O 3.44Å; V399-I474 WeakPolarHBondContact CA-O 3.48Å; F400-I474 HydrophobicContact CB-CB 4.31Å; F400-I474 PolarHBondContact N-O 3.36Å; F400-I474 PolarHBondContact O-N 3.08Å; F424-I474 HydrophobicContact CZ-CD1 4.47Å; L447-I474 HydrophobicContact CB-CG1 4.37Å; L447-I474 HydrophobicContact CD2-CD1 3.59Å; L447-I474 HydrophobicContact CD2-CG1 3.74Å; I474-C478 HydrophobicContact CG2-CB 4.43Å; I474-D480 HydrophobicContact CD1-CB 3.63Å; I474-D480 HydrophobicContact CG1-CB 3.97Å
475	S	97.7	Very high	93.1	Very high	10 Å²	10	44.9 Å²	44.9	7%	0.07	25%	0.247	C	C	.	.			trans	-69.1	151.1	179.9	-61.7	0	0	0	0	111.5	D449 H459 F460 G477 C478	D449-S475 WeakPolarHBondContact OD1-CB 3.33Å; D449-S475 PolarHBondContact OD1-N 2.86Å; D449-S475 WeakPolarHBondContact OD2-CB 3.49Å; D449-S475 PolarHBondContact OD2-OG 2.03Å; H459-S475 WeakPolarHBondContact CB-OG 2.96Å; F460-S475 WeakPolarHBondContact CD2-OG 2.74Å; F460-S475 VanDerWaalsContact CE2-OG 3.26Å; F460-S475 WeakPolarHBondContact CE2-OG 3.24Å; S475-G477 PolarHBondContact O-N 3.01Å; S475-C478 WeakPolarHBondContact O-CB 3.21Å; S475-C478 PolarHBondContact O-N 2.67Å
476	P	97.5	Very high	93.2	Very high	31 Å²	31	47 Å²	47	20%	0.201	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	132	169.8	-29.3	36.4	0	0	0	111.9	Y456 C478	Y456-P476 WeakPolarHBondContact CD1-O 3.02Å; Y456-P476 WeakPolarHBondContact CE1-O 3.08Å; P476-C478 PolarHBondContact O-N 2.76Å
477	G	97.7	Very high	93.3	Very high	7 Å²	7	43.7 Å²	43.7	7%	0.072	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	2.1	-179.5	0	0	0	0	0	115.2	N394 K453 S475	N394-G477 PolarHBondContact O-N 3.19Å; K453-G477 PolarHBondContact N-O 3.06Å; S475-G477 PolarHBondContact O-N 3.01Å
478	C	98.4	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	173	172.5	-61.5	0	0	0	0	112.1	N394 D449 A451 C452 I474 S475 P476	N394-C478 PolarHBondContact N-O 3.31Å; D449-C478 HydrophobicContact CB-CB 4.08Å; D449-C478 WeakPolarHBondContact OD1-CB 3.48Å; A451-C478 CarbonylContact O-C 3.55Å; A451-C478 VanDerWaalsContact O-CA 3.29Å; A451-C478 WeakPolarHBondContact O-CA 3.38Å; A451-C478 WeakPolarHBondContact O-CB 3.37Å; C452-C478 HydrophobicContact CB-CB 4Å; C452-C478 WeakPolarHBondContact CB-SG 3.21Å; C452-C478 WeakPolarHBondContact SG-CB 3.42Å; C452-C478 CovalentContact SG-SG 2.04Å; C452-C478 PolarHBondContact SG-SG 3.4Å; I474-C478 HydrophobicContact CG2-CB 4.43Å; S475-C478 WeakPolarHBondContact O-CB 3.21Å; S475-C478 PolarHBondContact O-N 2.67Å; P476-C478 PolarHBondContact O-N 2.76Å
479	Q	97.3	Very high	93.8	Very high	36 Å²	36	34 Å²	34	17%	0.168	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.4	179.9	74.2	-172	58.7	0	0	111.2	I391 I392 H393 N450 A451 N481	I391-Q479 HydrophobicContact CG2-CB 4.36Å; I391-Q479 HydrophobicContact CG2-CG 4.32Å; I391-Q479 VanDerWaalsContact CG2-NE2 3.34Å; I392-Q479 CarbonylContact O-C 3.43Å; I392-Q479 WeakPolarHBondContact O-CA 3.29Å; I392-Q479 WeakPolarHBondContact O-CB 3.34Å; H393-Q479 PolarHBondContact CE1-OE1 3.01Å; H393-Q479 PolarHBondContact ND1-OE1 3.1Å; N450-Q479 PolarHBondContact N-O 3.06Å; A451-Q479 HydrophobicContact CB-CG 3.81Å; A451-Q479 PolarHBondContact N-O 3.04Å; A451-Q479 PolarHBondContact O-N 2.91Å; Q479-N481 PolarHBondContact NE2-OD1 3.4Å
480	D	95.6	Very high	94	Very high	2 Å²	2	29 Å²	29	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.4	173.1	-164.3	-22.5	0	0	0	109.2	I391 I392 L447 E448 N450 I474 Y482	I391-D480 WeakPolarHBondContact CA-O 3.5Å; I392-D480 PolarHBondContact N-O 3.43Å; I392-D480 PolarHBondContact O-N 3.4Å; L447-D480 WeakPolarHBondContact CA-OD2 3.5Å; E448-D480 PolarHBondContact N-OD2 3.08Å; E448-D480 WeakPolarHBondContact O-CB 3.36Å; N450-D480 PolarHBondContact OD1-OD1 3.07Å; I474-D480 HydrophobicContact CD1-CB 3.63Å; I474-D480 HydrophobicContact CG1-CB 3.97Å; D480-Y482 HydrophobicContact CB-CE2 4.07Å; D480-Y482 VanDerWaalsContact CG-CE2 3.42Å; D480-Y482 WeakPolarHBondContact OD1-CE2 3.4Å; D480-Y482 PolarHBondContact OD1-OH 3.26Å; D480-Y482 PolarHBondContact OD2-OH 3.4Å
481	N	94.8	Very high	94.2	Very high	19 Å²	19	27.1 Å²	27.1	10%	0.102	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.6	-167.5	-65.1	-25.7	0	0	0	111.7	I391 N450 Q479 F483	I391-N481 WeakPolarHBondContact CG2-OD1 3.48Å; N450-N481 HydrophobicContact CB-CB 4.07Å; N450-N481 WeakPolarHBondContact CB-ND2 3.29Å; N450-N481 PolarHBondContact OD1-N 3.1Å; Q479-N481 PolarHBondContact NE2-OD1 3.4Å; N481-F483 HydrophobicContact CB-CD2 4.47Å; N481-F483 HydrophobicContact CB-CE1 4.37Å; N481-F483 HydrophobicContact CB-CE2 3.82Å; N481-F483 HydrophobicContact CB-CZ 3.76Å
482	Y	92.7	Very high	94.3	Very high	12 Å²	12	24.6 Å²	24.6	5%	0.047	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	99.5	172.5	-60.6	-80.1	0	0	0	110.1	S389 S390 I392 F424 K442 F445 C446 D480 Q489	S389-Y482 CarbonylContact C-O 3.53Å; S389-Y482 WeakPolarHBondContact CA-O 3.38Å; S390-Y482 PolarHBondContact N-O 2.98Å; S390-Y482 WeakPolarHBondContact O-CB 3.44Å; S390-Y482 PolarHBondContact O-N 2.84Å; I392-Y482 HydrophobicContact CD1-CD2 4.36Å; F424-Y482 HydrophobicContact CE1-CE2 4.33Å; K442-Y482 HydrophobicContact CD-CD1 4.2Å; K442-Y482 VanDerWaalsContact CE-CD1 3.48Å; K442-Y482 HydrophobicContact CG-CD1 4.18Å; F445-Y482 AromaticContact CD2-CE1 3.54Å; F445-Y482 HydrophobicContact CD2-CE1 3.54Å; F445-Y482 AromaticContact CD2-CE2 3.98Å; F445-Y482 HydrophobicContact CD2-CE2 3.98Å; F445-Y482 AromaticContact CD2-CZ 3.24Å; F445-Y482 WeakPolarHBondContact CD2-OH 3.43Å; F445-Y482 HydrophobicContact CE2-CD2 4.49Å; F445-Y482 AromaticContact CE2-CE1 3.87Å; F445-Y482 HydrophobicContact CE2-CE1 3.87Å; F445-Y482 AromaticContact CE2-CE2 3.42Å; F445-Y482 HydrophobicContact CE2-CE2 3.42Å; F445-Y482 VanDerWaalsContact CE2-CE2 3.42Å; F445-Y482 AromaticContact CE2-CZ 3.06Å; F445-Y482 WeakPolarHBondContact CE2-OH 3.05Å; F445-Y482 HydrophobicContact CZ-CE2 4.48Å; C446-Y482 PolarHBondContact O-OH 3.39Å; C446-Y482 VanDerWaalsContact O-OH 3.14Å; D480-Y482 HydrophobicContact CB-CE2 4.07Å; D480-Y482 VanDerWaalsContact CG-CE2 3.42Å; D480-Y482 WeakPolarHBondContact OD1-CE2 3.4Å; D480-Y482 PolarHBondContact OD1-OH 3.26Å; D480-Y482 PolarHBondContact OD2-OH 3.4Å; Y482-Q489 VanDerWaalsContact CB-OE1 3.25Å
483	F	94.4	Very high	94.3	Very high	77 Å²	77	24.6 Å²	24.6	34%	0.338	12%	0.121	S	C	.	.			trans	-81.6	149	-175.8	-63.1	-66.7	0	0	0	113	N481 D485 Y486 Q489	N481-F483 HydrophobicContact CB-CD2 4.47Å; N481-F483 HydrophobicContact CB-CE1 4.37Å; N481-F483 HydrophobicContact CB-CE2 3.82Å; N481-F483 HydrophobicContact CB-CZ 3.76Å; F483-D485 WeakPolarHBondContact CB-OD1 3.05Å; F483-D485 PolarHBondContact O-N 3.32Å; F483-Y486 HydrophobicContact CB-CD1 4.46Å; F483-Y486 HydrophobicContact CB-CE1 4.28Å; F483-Y486 HydrophobicContact CB-CE2 4.38Å; F483-Y486 HydrophobicContact CD2-CE1 4.42Å; F483-Y486 HydrophobicContact CD2-CE2 4.14Å; F483-Y486 AromaticContact CD2-CZ 3.79Å; F483-Y486 WeakPolarHBondContact O-CB 3.09Å; F483-Y486 PolarHBondContact O-N 2.7Å; F483-Q489 WeakPolarHBondContact O-CB 3.34Å; F483-Q489 WeakPolarHBondContact O-CG 3.44Å
484	H	93.1	Very high	94.1	Very high	59 Å²	59	26.4 Å²	26.4	27%	0.273	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-15.1	-174.8	55.2	-161.6	0	0	0	116.8	S343 Y345 R387 F388 S389	S343-H484 PolarHBondContact O-ND1 3Å; Y345-H484 AromaticContact CD1-ND1 3.96Å; Y345-H484 HydrophobicContact CE1-CB 3.94Å; Y345-H484 AromaticContact CE1-CE1 3.87Å; Y345-H484 AromaticContact CE1-CG 3.6Å; Y345-H484 AromaticContact CE1-ND1 3.45Å; Y345-H484 WeakPolarHBondContact CE1-ND1 3.03Å; R387-H484 HydrophobicContact CB-CB 4.17Å; R387-H484 WeakPolarHBondContact CB-O 3.3Å; R387-H484 WeakPolarHBondContact CD-O 3.38Å; R387-H484 PolarHBondContact NH1-O 3.25Å; F388-H484 VanDerWaalsContact C-CB 3.49Å; S389-H484 PolarHBondContact OG-N 2.8Å
485	D	90.5	Very high	93.8	Very high	99 Å²	99	32 Å²	32	53%	0.529	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.8	-179.8	59	-38.7	0	0	0	112	F483	F483-D485 WeakPolarHBondContact CB-OD1 3.05Å; F483-D485 PolarHBondContact O-N 3.32Å
486	Y	90.6	Very high	93.6	Very high	102 Å²	102	32.3 Å²	32.3	40%	0.4	16%	0.163	S	C	.	.	S	Bend	trans	-72.1	153.3	176.2	-64.3	-5.9	0	0	0	112.1	F483 Q489	F483-Y486 HydrophobicContact CB-CD1 4.46Å; F483-Y486 HydrophobicContact CB-CE1 4.28Å; F483-Y486 HydrophobicContact CB-CE2 4.38Å; F483-Y486 HydrophobicContact CD2-CE1 4.42Å; F483-Y486 HydrophobicContact CD2-CE2 4.14Å; F483-Y486 AromaticContact CD2-CZ 3.79Å; F483-Y486 WeakPolarHBondContact O-CB 3.09Å; F483-Y486 PolarHBondContact O-N 2.7Å; Y486-Q489 PolarHBondContact O-N 3.11Å
487	D	88.3	Confident	93.3	Very high	41 Å²	41	36.6 Å²	36.6	22%	0.219	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	143.9	170.5	-78.7	-37.2	0	0	0	110.6	C356 A357 K442 Q489	C356-D487 WeakPolarHBondContact CB-OD2 3.49Å; A357-D487 HydrophobicContact CB-CB 4.17Å; K442-D487 PolarHBondContact NZ-O 3.39Å; D487-Q489 PolarHBondContact O-N 2.83Å
488	C	89.7	Confident	93.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	6.3	-176.4	-47.1	0	0	0	0	115.6	E360 C362 K442 A443 W490	E360-C488 PolarHBondContact OE2-SG 3.46Å; C362-C488 HydrophobicContact CB-CB 3.75Å; C362-C488 WeakPolarHBondContact CB-SG 3.47Å; C362-C488 WeakPolarHBondContact SG-CB 3.42Å; C362-C488 CovalentContact SG-SG 1.99Å; C362-C488 PolarHBondContact SG-SG 3.24Å; K442-C488 HydrophobicContact CD-CB 4.5Å; A443-C488 HydrophobicContact CB-CB 4.09Å; C488-W490 PolarHBondContact O-N 2.88Å
489	Q	93.2	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-93	48.4	174.5	-166.8	46.8	54.1	0	0	110.6	F388 Y427 Y482 F483 Y486 D487	F388-Q489 VanDerWaalsContact CD2-NE2 3.34Å; F388-Q489 VanDerWaalsContact O-CG 3.27Å; F388-Q489 WeakPolarHBondContact O-CG 3.47Å; F388-Q489 PolarHBondContact O-NE2 3.4Å; Y427-Q489 PolarHBondContact OH-NE2 3.42Å; Y427-Q489 PolarHBondContact OH-OE1 3.21Å; Y482-Q489 VanDerWaalsContact CB-OE1 3.25Å; F483-Q489 WeakPolarHBondContact O-CB 3.34Å; F483-Q489 WeakPolarHBondContact O-CG 3.44Å; Y486-Q489 PolarHBondContact O-N 3.11Å; D487-Q489 PolarHBondContact O-N 2.83Å
490	W	94.1	Very high	92.8	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	168.2	-175	48.6	-101.3	0	0	0	111.5	A357 C362 F363 L385 L386 R387 C488 D492	A357-W490 HydrophobicContact CB-CH2 4.39Å; A357-W490 HydrophobicContact CB-CZ2 3.64Å; C362-W490 HydrophobicContact CB-CH2 4.09Å; C362-W490 HydrophobicContact CB-CZ2 4.36Å; F363-W490 AromaticContact CD1-CH2 3.73Å; F363-W490 HydrophobicContact CD1-CH2 3.73Å; F363-W490 HydrophobicContact CD1-CZ3 4.06Å; F363-W490 AromaticContact CD2-CH2 3.81Å; F363-W490 HydrophobicContact CD2-CH2 3.81Å; F363-W490 AromaticContact CE1-CH2 3.41Å; F363-W490 HydrophobicContact CE1-CH2 3.41Å; F363-W490 VanDerWaalsContact CE1-CH2 3.41Å; F363-W490 HydrophobicContact CE1-CZ2 4.24Å; F363-W490 AromaticContact CE1-CZ3 3.88Å; F363-W490 HydrophobicContact CE1-CZ3 3.88Å; F363-W490 AromaticContact CE2-CH2 3.51Å; F363-W490 HydrophobicContact CE2-CH2 3.51Å; F363-W490 AromaticContact CE2-CZ2 3.87Å; F363-W490 HydrophobicContact CE2-CZ2 3.87Å; F363-W490 AromaticContact CG-CH2 3.92Å; F363-W490 HydrophobicContact CG-CH2 3.92Å; F363-W490 AromaticContact CZ-CH2 3.3Å; F363-W490 HydrophobicContact CZ-CH2 3.3Å; F363-W490 AromaticContact CZ-CZ2 3.72Å; F363-W490 HydrophobicContact CZ-CZ2 3.72Å; F363-W490 HydrophobicContact CZ-CZ3 4.2Å; L385-W490 HydrophobicContact CB-CB 4.26Å; L385-W490 HydrophobicContact CB-CD2 4.37Å; L385-W490 HydrophobicContact CB-CE3 4.42Å; L385-W490 HydrophobicContact CB-CG 4.33Å; L385-W490 HydrophobicContact CD1-CD2 3.66Å; L385-W490 HydrophobicContact CD1-CE3 4.04Å; L385-W490 HydrophobicContact CD1-CG 3.99Å; L385-W490 HydrophobicContact CD1-CH2 4.49Å; L385-W490 HydrophobicContact CD1-CZ2 4.1Å; L385-W490 HydrophobicContact CD1-CZ3 4.45Å; L385-W490 HydrophobicContact CD2-CD2 4.06Å; L385-W490 HydrophobicContact CD2-CE3 3.52Å; L385-W490 HydrophobicContact CD2-CH2 4.21Å; L385-W490 HydrophobicContact CD2-CZ3 3.63Å; L385-W490 HydrophobicContact CG-CD2 4.24Å; L385-W490 HydrophobicContact CG-CE3 4.19Å; L386-W490 CarbonylContact O-C 3.59Å; L386-W490 WeakPolarHBondContact O-CA 3.41Å; L386-W490 VanDerWaalsContact O-CB 3.26Å; L386-W490 WeakPolarHBondContact O-CB 3.28Å; R387-W490 HydrophobicContact CB-CB 4.43Å; R387-W490 HydrophobicContact CG-CB 3.85Å; R387-W490 HydrophobicContact CG-CG 4.48Å; C488-W490 PolarHBondContact O-N 2.88Å; W490-D492 HydrophobicContact CZ3-CB 4.2Å
491	L	93.9	Very high	92.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.1	174.8	-175.1	148.5	0	0	0	110.2	L386 F388 V429 A438 I493 F503	L386-L491 PolarHBondContact N-O 2.75Å; L386-L491 PolarHBondContact O-N 3.25Å; F388-L491 HydrophobicContact CE1-CB 4.34Å; V429-L491 HydrophobicContact CG2-CD1 3.96Å; V429-L491 HydrophobicContact CG2-CD2 3.71Å; A438-L491 HydrophobicContact CB-CD2 3.63Å; A438-L491 HydrophobicContact CB-CG 4.44Å; L491-I493 HydrophobicContact CD2-CG2 3.33Å; L491-I493 PolarHBondContact O-N 3.27Å; L491-F503 HydrophobicContact CD1-CE2 4.42Å
492	D	93.7	Very high	93	Very high	14 Å²	14	44.4 Å²	44.4	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.2	177.5	-172.7	-13.1	0	0	0	110.2	F363 R383 L385 W490 T494	F363-D492 HydrophobicContact CD1-CB 4.45Å; R383-D492 IonicContact CZ-OD1 3.98Å; R383-D492 IonicContact CZ-OD2 3.22Å; R383-D492 IonicContact NE-OD1 3.54Å; R383-D492 IonicContact NE-OD2 3.63Å; R383-D492 PolarHBondContact NE-OD2 3.28Å; R383-D492 IonicContact NH2-OD1 3.55Å; R383-D492 PolarHBondContact NH2-OD1 2.62Å; R383-D492 IonicContact NH2-OD2 3.76Å; R383-D492 PolarHBondContact NH2-OD2 3.44Å; L385-D492 HydrophobicContact CD2-CB 4.07Å; W490-D492 HydrophobicContact CZ3-CB 4.2Å; D492-T494 WeakPolarHBondContact OD1-CB 3.48Å; D492-T494 PolarHBondContact OD1-N 2.99Å; D492-T494 PolarHBondContact OD1-OG1 3.29Å
493	I	94.1	Very high	93.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.226	C	C	.	.			trans	-111.9	19.5	179.8	60.2	163	0	0	0	112	R384 L386 L491 D495 L496 I529 A537	R384-I493 HydrophobicContact CB-CG1 4.24Å; R384-I493 HydrophobicContact CG-CD1 4.07Å; R384-I493 HydrophobicContact CG-CG1 3.84Å; R384-I493 WeakPolarHBondContact O-CG1 3.46Å; R384-I493 PolarHBondContact O-N 3.07Å; L386-I493 HydrophobicContact CB-CD1 4.1Å; L386-I493 HydrophobicContact CB-CG1 4.32Å; L386-I493 HydrophobicContact CB-CG2 4.02Å; L491-I493 HydrophobicContact CD2-CG2 3.33Å; L491-I493 PolarHBondContact O-N 3.27Å; I493-D495 PolarHBondContact O-N 3.14Å; I493-L496 HydrophobicContact CB-CB 4.38Å; I493-L496 HydrophobicContact CB-CD1 3.94Å; I493-L496 HydrophobicContact CB-CG 4.16Å; I493-L496 HydrophobicContact CG2-CD1 3.73Å; I493-L496 HydrophobicContact CG2-CG 4.44Å; I493-L496 PolarHBondContact O-N 3.15Å; I493-L496 VanDerWaalsContact O-N 3.17Å; I493-I529 HydrophobicContact CD1-CD1 4.36Å; I493-A537 HydrophobicContact CD1-CB 3.69Å
494	T	92.6	Very high	93.3	Very high	38 Å²	38	40.2 Å²	40.2	23%	0.233	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-41.4	-177.7	-56	0	0	0	0	112.3	R383 R384 D492 L496	R383-T494 WeakPolarHBondContact CA-OG1 3.48Å; R383-T494 PolarHBondContact NE-OG1 3.19Å; R383-T494 PolarHBondContact NH2-OG1 3.13Å; R384-T494 PolarHBondContact N-OG1 3.05Å; R384-T494 PolarHBondContact O-N 3.33Å; D492-T494 WeakPolarHBondContact OD1-CB 3.48Å; D492-T494 PolarHBondContact OD1-N 2.99Å; D492-T494 PolarHBondContact OD1-OG1 3.29Å; T494-L496 VanDerWaalsContact C-N 3.35Å
495	D	90	Very high	93.3	Very high	119 Å²	119	37.4 Å²	37.4	64%	0.636	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	4.4	-173.6	-56.3	-47.8	0	0	0	112.7	R383 I493	R383-D495 IonicContact NH2-OD2 2.73Å; I493-D495 PolarHBondContact O-N 3.14Å
496	L	92.8	Very high	93.4	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.079	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-88	127.4	176.8	-58.9	-168.8	0	0	0	111.3	V429 M437 A438 I493 T494 I529	V429-L496 HydrophobicContact CB-CD1 4.34Å; V429-L496 HydrophobicContact CG1-CD1 3.92Å; M437-L496 HydrophobicContact CB-CD2 3.73Å; M437-L496 HydrophobicContact CE-CD2 4.33Å; A438-L496 HydrophobicContact CB-CD1 4.3Å; A438-L496 HydrophobicContact CB-CD2 4.45Å; I493-L496 HydrophobicContact CB-CB 4.38Å; I493-L496 HydrophobicContact CB-CD1 3.94Å; I493-L496 HydrophobicContact CB-CG 4.16Å; I493-L496 HydrophobicContact CG2-CD1 3.73Å; I493-L496 HydrophobicContact CG2-CG 4.44Å; I493-L496 PolarHBondContact O-N 3.15Å; I493-L496 VanDerWaalsContact O-N 3.17Å; T494-L496 VanDerWaalsContact C-N 3.35Å; L496-I529 HydrophobicContact CB-CD1 3.82Å; L496-I529 HydrophobicContact CD1-CD1 3.88Å
497	I	92.2	Very high	93.5	Very high	122 Å²	122	27.9 Å²	27.9	63%	0.626	15%	0.153	S	C	*	.	P	Polyproline II helix	trans	-71.3	154.3	173.7	61.4	172.5	0	0	0	111	G499 Y501	I497-G499 PolarHBondContact O-N 3.31Å; I497-Y501 VanDerWaalsContact CG1-OH 3.26Å; I497-Y501 WeakPolarHBondContact CG1-OH 3.38Å; I497-Y501 WeakPolarHBondContact O-CE2 3.49Å; I497-Y501 PolarHBondContact O-OH 3.05Å
498	P	93.2	Very high	93.4	Very high	45 Å²	45	26.1 Å²	26.1	29%	0.292	14%	0.144	S	C	.	.	S	Bend	trans	-53.5	137.2	168.9	-28.4	37.4	0	0	0	112.3	I529 G530 H531	P498-I529 CarbonylContact C-O 3.49Å; P498-I529 VanDerWaalsContact CA-O 3.31Å; P498-I529 WeakPolarHBondContact CA-O 3.36Å; P498-G530 WeakPolarHBondContact CG-O 3.35Å; P498-H531 HydrophobicContact CB-CB 4.41Å; P498-H531 WeakPolarHBondContact CB-ND1 3.32Å
499	G	94	Very high	93.1	Very high	23 Å²	23	26.2 Å²	26.2	24%	0.237	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-173.2	-175	0	0	0	0	0	113.1	I497 I529	I497-G499 PolarHBondContact O-N 3.31Å; G499-I529 PolarHBondContact N-O 2.69Å; G499-I529 PolarHBondContact O-N 2.57Å
500	E	95.6	Very high	92.4	Very high	103 Å²	103	27 Å²	27	48%	0.481	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.5	179.3	-65.8	-69.8	126.6	0	0	110.1	R526 S528	E500-R526 WeakPolarHBondContact OE2-CD 3.35Å; E500-R526 WeakPolarHBondContact OE2-CG 3.49Å; E500-S528 VanDerWaalsContact CD-OG 3.24Å; E500-S528 WeakPolarHBondContact OE1-CA 3.37Å; E500-S528 WeakPolarHBondContact OE1-CB 3.3Å; E500-S528 PolarHBondContact OE1-OG 2.68Å; E500-S528 PolarHBondContact OE2-OG 3.47Å; E500-S528 VanDerWaalsContact OE2-OG 3.12Å
501	Y	97.4	Very high	91.8	Very high	21 Å²	21	27 Å²	27	8%	0.082	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	172.5	-179.1	-62.6	-89.5	0	0	0	109.9	V429 I430 N431 M437 I497 L527 I529	V429-Y501 HydrophobicContact CG1-CD1 3.92Å; V429-Y501 HydrophobicContact CG1-CG 3.89Å; I430-Y501 WeakPolarHBondContact O-CB 3.36Å; N431-Y501 HydrophobicContact CB-CD1 4.17Å; N431-Y501 HydrophobicContact CB-CE1 4.24Å; M437-Y501 HydrophobicContact CE-CE1 4.37Å; M437-Y501 HydrophobicContact CG-CD1 4.08Å; M437-Y501 HydrophobicContact CG-CE1 3.97Å; I497-Y501 VanDerWaalsContact CG1-OH 3.26Å; I497-Y501 WeakPolarHBondContact CG1-OH 3.38Å; I497-Y501 WeakPolarHBondContact O-CE2 3.49Å; I497-Y501 PolarHBondContact O-OH 3.05Å; Y501-L527 PolarHBondContact N-O 2.74Å; Y501-L527 PolarHBondContact O-N 3.15Å; Y501-I529 HydrophobicContact CD2-CD1 3.88Å; Y501-I529 HydrophobicContact CD2-CG1 4.25Å; Y501-I529 HydrophobicContact CE2-CD1 3.87Å; Y501-I529 HydrophobicContact CE2-CG1 4.44Å
502	T	97.3	Very high	91.2	Very high	35 Å²	35	28.2 Å²	28.2	22%	0.215	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.7	166.5	-54.3	0	0	0	0	108.3	V429 I430 Q504 E524 C525	V429-T502 WeakPolarHBondContact CA-O 3.12Å; I430-T502 HydrophobicContact CD1-CG2 4.39Å; I430-T502 HydrophobicContact CG1-CG2 4.32Å; I430-T502 PolarHBondContact N-O 3.02Å; I430-T502 PolarHBondContact O-N 2.95Å; T502-Q504 HydrophobicContact CG2-CG 4.05Å; T502-E524 HydrophobicContact CG2-CG 3.39Å; T502-E524 WeakPolarHBondContact CG2-OE2 3.38Å; T502-C525 CarbonylContact C-O 3.52Å; T502-C525 WeakPolarHBondContact CA-O 3.39Å; T502-C525 WeakPolarHBondContact CG2-O 3.41Å
503	F	97.4	Very high	90.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.6	169.9	172.1	-88.6	0	0	0	108.7	L340 L386 F388 Y427 K428 V429 L491 L505 C525 L527 L539	L340-F503 HydrophobicContact CD2-CE1 4.2Å; L386-F503 HydrophobicContact CD2-CD2 4.01Å; L386-F503 HydrophobicContact CD2-CE2 4.3Å; F388-F503 HydrophobicContact CD1-CE2 4.4Å; F388-F503 HydrophobicContact CD1-CZ 4.25Å; F388-F503 HydrophobicContact CD2-CZ 4.48Å; F388-F503 AromaticContact CE1-CE2 3.82Å; F388-F503 HydrophobicContact CE1-CE2 3.82Å; F388-F503 AromaticContact CE1-CZ 3.81Å; F388-F503 HydrophobicContact CE1-CZ 3.81Å; F388-F503 HydrophobicContact CE2-CZ 4.05Å; F388-F503 HydrophobicContact CZ-CE2 4.06Å; F388-F503 AromaticContact CZ-CZ 3.7Å; F388-F503 HydrophobicContact CZ-CZ 3.7Å; Y427-F503 HydrophobicContact CD1-CZ 4.45Å; K428-F503 WeakPolarHBondContact O-CA 3.34Å; V429-F503 HydrophobicContact CG2-CD2 4.19Å; L491-F503 HydrophobicContact CD1-CE2 4.42Å; F503-L505 HydrophobicContact CE1-CB 3.83Å; F503-L505 HydrophobicContact CZ-CB 4.25Å; F503-C525 HydrophobicContact CB-CB 4.33Å; F503-C525 HydrophobicContact CD1-CB 4.29Å; F503-C525 PolarHBondContact N-O 3.1Å; F503-C525 PolarHBondContact O-N 3.16Å; F503-L527 HydrophobicContact CB-CB 4.02Å; F503-L539 HydrophobicContact CB-CD2 3.58Å; F503-L539 HydrophobicContact CD1-CD1 3.87Å; F503-L539 HydrophobicContact CD1-CD2 4.04Å; F503-L539 HydrophobicContact CD2-CD2 4.45Å; F503-L539 HydrophobicContact CE1-CD1 4.06Å; F503-L539 HydrophobicContact CG-CD1 4.33Å; F503-L539 HydrophobicContact CG-CD2 3.78Å
504	Q	95.2	Very high	90.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.5	178.6	-66.3	176.8	-5	0	0	109.5	Y427 K428 T502 I523 E524 L550	Y427-Q504 CarbonylContact C-O 3.59Å; Y427-Q504 WeakPolarHBondContact CA-O 3.47Å; K428-Q504 HydrophobicContact CG-CB 4.08Å; K428-Q504 PolarHBondContact N-O 2.97Å; K428-Q504 PolarHBondContact O-N 3.42Å; T502-Q504 HydrophobicContact CG2-CG 4.05Å; Q504-I523 CarbonylContact C-O 3.55Å; Q504-I523 VanDerWaalsContact CA-O 3.3Å; Q504-I523 WeakPolarHBondContact CA-O 3.17Å; Q504-E524 HydrophobicContact CG-CB 4.4Å; Q504-E524 HydrophobicContact CG-CG 4.09Å; Q504-E524 PolarHBondContact NE2-OE2 2.91Å; Q504-L550 HydrophobicContact CB-CD1 4.16Å; Q504-L550 HydrophobicContact CG-CD1 4.35Å; Q504-L550 HydrophobicContact CG-CD2 4.02Å; Q504-L550 PolarHBondContact NE2-OXT 3.32Å; Q504-L550 PolarHBondContact OE1-OXT 3.29Å
505	L	94.4	Very high	90.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	173.9	176	156.6	0	0	0	108.1	L340 F388 Y426 Y427 F503 L507 A522 I523	L340-L505 HydrophobicContact CD1-CD1 3.87Å; L340-L505 HydrophobicContact CD2-CD1 4.38Å; F388-L505 HydrophobicContact CE2-CD1 4.21Å; Y426-L505 CarbonylContact O-C 3.42Å; Y426-L505 WeakPolarHBondContact O-CA 3.4Å; Y427-L505 HydrophobicContact CD1-CB 4.06Å; Y427-L505 HydrophobicContact CD1-CD1 3.81Å; Y427-L505 HydrophobicContact CD1-CG 3.68Å; Y427-L505 HydrophobicContact CE1-CD1 3.47Å; Y427-L505 VanDerWaalsContact CE1-CD1 3.47Å; Y427-L505 HydrophobicContact CE1-CG 3.65Å; F503-L505 HydrophobicContact CE1-CB 3.83Å; F503-L505 HydrophobicContact CZ-CB 4.25Å; L505-L507 HydrophobicContact CD2-CD2 3.69Å; L505-L507 HydrophobicContact CD2-CG 4.11Å; L505-A522 CarbonylContact O-C 3.39Å; L505-A522 WeakPolarHBondContact O-CA 3.43Å; L505-A522 WeakPolarHBondContact O-CB 3.44Å; L505-I523 PolarHBondContact N-O 3.46Å; L505-I523 PolarHBondContact O-N 2.71Å
506	I	92.3	Very high	90.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.9	179.6	-61.2	147.5	0	0	0	108.4	I187 S425 Y426 P509 A522 P547 L550	I187-I506 HydrophobicContact CD1-CD1 3.4Å; I187-I506 VanDerWaalsContact CD1-CD1 3.4Å; I187-I506 HydrophobicContact CD1-CG1 3.97Å; I187-I506 HydrophobicContact CD1-CG2 4.02Å; S425-I506 CarbonylContact C-O 3.5Å; S425-I506 VanDerWaalsContact CA-O 3.29Å; S425-I506 WeakPolarHBondContact CA-O 3.46Å; Y426-I506 HydrophobicContact CD1-CD1 3.99Å; Y426-I506 PolarHBondContact N-O 3.11Å; Y426-I506 PolarHBondContact O-N 3.48Å; I506-P509 HydrophobicContact CB-CB 4.32Å; I506-P509 HydrophobicContact CG2-CB 3.66Å; I506-A522 HydrophobicContact CB-CB 4.38Å; I506-A522 HydrophobicContact CG1-CB 3.84Å; I506-P547 HydrophobicContact CG2-CB 4.22Å; I506-P547 HydrophobicContact CG2-CG 4.32Å; I506-L550 HydrophobicContact CD1-CD1 3.84Å; I506-L550 HydrophobicContact CG1-CD1 3.57Å
507	L	91.8	Very high	90.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	146.1	169.6	-56.1	-171.9	0	0	0	110.3	L333 P335 I392 L505 P509 N521	L333-L507 HydrophobicContact CB-CD1 4.02Å; P335-L507 HydrophobicContact CB-CD1 3.89Å; P335-L507 HydrophobicContact CB-CG 4.41Å; P335-L507 HydrophobicContact CG-CD1 3.89Å; P335-L507 HydrophobicContact CG-CG 4.32Å; I392-L507 HydrophobicContact CB-CD1 4.47Å; I392-L507 HydrophobicContact CD1-CD1 4.14Å; I392-L507 HydrophobicContact CD1-CD2 3.47Å; I392-L507 VanDerWaalsContact CD1-CD2 3.47Å; I392-L507 HydrophobicContact CD1-CG 4.46Å; I392-L507 HydrophobicContact CG1-CD1 3.95Å; I392-L507 HydrophobicContact CG1-CD2 4.06Å; I392-L507 HydrophobicContact CG2-CD1 3.72Å; L505-L507 HydrophobicContact CD2-CD2 3.69Å; L505-L507 HydrophobicContact CD2-CG 4.11Å; L507-P509 VanDerWaalsContact C-N 3.28Å; L507-N521 PolarHBondContact N-O 2.87Å; L507-N521 PolarHBondContact O-ND2 2.96Å
508	N	86.5	Confident	90.3	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	44.7	53	-179.8	-175.2	22.5	0	0	0	111.6	F424 D510 F511 L512 V513 E515	F424-N508 PolarHBondContact O-N 3.24Å; N508-D510 PolarHBondContact O-N 3.06Å; N508-F511 PolarHBondContact O-N 3.25Å; N508-L512 PolarHBondContact OD1-N 3.48Å; N508-V513 PolarHBondContact ND2-O 2.98Å; N508-E515 WeakPolarHBondContact CB-OE1 3.23Å; N508-E515 PolarHBondContact ND2-OE1 2.92Å
509	P	82.8	Confident	90.2	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.019	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.6	-164.2	23.9	-35.2	0	0	0	114.4	P186 V423 I506 L507	P186-P509 HydrophobicContact CB-CB 3.68Å; P186-P509 HydrophobicContact CG-CB 3.53Å; V423-P509 HydrophobicContact CG1-CG 3.97Å; I506-P509 HydrophobicContact CB-CB 4.32Å; I506-P509 HydrophobicContact CG2-CB 3.66Å; L507-P509 VanDerWaalsContact C-N 3.28Å
510	D	78.6	Confident	90.2	Very high	17 Å²	17	20.4 Å²	20.4	9%	0.091	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	5.2	177.6	-69.8	-59.6	0	0	0	113.5	R252 N508 L512	R252-D510 VanDerWaalsContact CD-O 3.29Å; R252-D510 WeakPolarHBondContact CD-O 3.21Å; R252-D510 VanDerWaalsContact NH1-CA 3.31Å; R252-D510 PolarHBondContact NH1-O 2.6Å; R252-D510 IonicContact NH1-OD1 3.66Å; N508-D510 PolarHBondContact O-N 3.06Å; D510-L512 HydrophobicContact CB-CD1 4.27Å; D510-L512 HydrophobicContact CB-CD2 4.26Å; D510-L512 HydrophobicContact CB-CG 3.83Å; D510-L512 PolarHBondContact O-N 3.07Å; D510-L512 VanDerWaalsContact O-N 3.15Å
511	F	83	Confident	90	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.013	8%	0.082	C	C	.	.			trans	51.8	33.6	179.8	-47.3	-64.9	0	0	0	113.6	R252 G253 N508 V513 Y518 P547 Y548	R252-F511 HydrophobicContact CB-CB 4.16Å; G253-F511 PolarHBondContact N-O 2.83Å; N508-F511 PolarHBondContact O-N 3.25Å; F511-V513 VanDerWaalsContact C-N 3.34Å; F511-Y518 HydrophobicContact CB-CE1 4.22Å; F511-Y518 AromaticContact CD1-CD1 3.35Å; F511-Y518 HydrophobicContact CD1-CD1 3.35Å; F511-Y518 AromaticContact CD1-CE1 3.57Å; F511-Y518 HydrophobicContact CD1-CE1 3.57Å; F511-Y518 AromaticContact CD1-CG 4Å; F511-Y518 HydrophobicContact CD1-CG 4Å; F511-Y518 AromaticContact CE1-CD1 3.68Å; F511-Y518 HydrophobicContact CE1-CD1 3.68Å; F511-Y518 HydrophobicContact CE1-CE1 4.36Å; F511-Y518 HydrophobicContact CE1-CG 4Å; F511-Y518 HydrophobicContact CG-CD1 4.43Å; F511-Y518 HydrophobicContact CG-CE1 4.32Å; F511-P547 HydrophobicContact CE1-CB 4.29Å; F511-P547 HydrophobicContact CE1-CG 3.96Å; F511-P547 HydrophobicContact CZ-CB 3.91Å; F511-P547 HydrophobicContact CZ-CG 4.07Å; F511-Y548 AromaticContact CE2-CE1 3.81Å; F511-Y548 HydrophobicContact CE2-CE1 3.81Å; F511-Y548 HydrophobicContact CE2-CE2 4.33Å; F511-Y548 AromaticContact CE2-CZ 3.6Å; F511-Y548 WeakPolarHBondContact CE2-OH 3.33Å; F511-Y548 HydrophobicContact CZ-CE1 4.32Å; F511-Y548 HydrophobicContact CZ-CE2 4.45Å
512	L	79.9	Confident	89.8	Confident	27 Å²	27	14.5 Å²	14.5	14%	0.141	8%	0.078	C	C	.	.			trans	-71.4	-34.1	-176.5	-64.7	179.8	0	0	0	111.2	A89 Y271 H403 N508 D510	A89-L512 HydrophobicContact CB-CD1 4.35Å; A89-L512 HydrophobicContact CB-CD2 4.18Å; Y271-L512 PolarHBondContact OH-O 2.89Å; H403-L512 HydrophobicContact CB-CB 4.07Å; H403-L512 PolarHBondContact ND1-O 3.46Å; N508-L512 PolarHBondContact OD1-N 3.48Å; D510-L512 HydrophobicContact CB-CD1 4.27Å; D510-L512 HydrophobicContact CB-CD2 4.26Å; D510-L512 HydrophobicContact CB-CG 3.83Å; D510-L512 PolarHBondContact O-N 3.07Å; D510-L512 VanDerWaalsContact O-N 3.15Å
513	V	85.7	Confident	89.8	Confident	14 Å²	14	12.9 Å²	12.9	9%	0.085	7%	0.068	C	C	.	.	S	Bend	trans	-97.8	124.9	175.1	-174.3	0	0	0	0	109.3	F400 R401 H403 N508 F511	F400-V513 HydrophobicContact CD2-CG1 3.86Å; F400-V513 HydrophobicContact CE1-CG2 4.47Å; F400-V513 HydrophobicContact CE2-CB 3.65Å; F400-V513 HydrophobicContact CE2-CG1 3.48Å; F400-V513 VanDerWaalsContact CE2-CG1 3.48Å; F400-V513 HydrophobicContact CE2-CG2 4.16Å; F400-V513 HydrophobicContact CZ-CB 3.81Å; F400-V513 HydrophobicContact CZ-CG1 3.95Å; F400-V513 HydrophobicContact CZ-CG2 3.79Å; R401-V513 WeakPolarHBondContact O-CG2 3.33Å; H403-V513 HydrophobicContact CB-CG2 3.99Å; N508-V513 PolarHBondContact ND2-O 2.98Å; F511-V513 VanDerWaalsContact C-N 3.34Å
514	P	87.9	Confident	89.8	Confident	11 Å²	11	14.6 Å²	14.6	7%	0.071	8%	0.076	C	C	.	.			trans	-64.5	134.5	174.4	-23.4	34.4	0	0	0	113.4	A268 Y271 L330 Y518	A268-P514 WeakPolarHBondContact O-CB 3.34Å; Y271-P514 HydrophobicContact CD1-CG 4.05Å; Y271-P514 HydrophobicContact CE1-CG 4.03Å; L330-P514 HydrophobicContact CD1-CB 3.98Å; L330-P514 HydrophobicContact CD2-CB 4.14Å; P514-Y518 WeakPolarHBondContact CA-OH 3.47Å
515	E	92	Very high	89.9	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-125.7	158.9	176.4	-63.8	180	-109.9	0	0	111.2	N257 A331 L333 F400 N508 T517 Y518 N521	N257-E515 PolarHBondContact ND2-O 3.08Å; A331-E515 CarbonylContact O-C 3.06Å; A331-E515 WeakPolarHBondContact O-CA 3.45Å; L333-E515 WeakPolarHBondContact CA-OE2 3.37Å; L333-E515 WeakPolarHBondContact CB-OE2 3.35Å; L333-E515 WeakPolarHBondContact CG-OE2 3.36Å; L333-E515 PolarHBondContact N-OE2 2.88Å; F400-E515 HydrophobicContact CE2-CG 4.37Å; N508-E515 WeakPolarHBondContact CB-OE1 3.23Å; N508-E515 PolarHBondContact ND2-OE1 2.92Å; E515-T517 PolarHBondContact O-N 3.03Å; E515-Y518 HydrophobicContact CB-CD1 4.38Å; E515-Y518 HydrophobicContact CB-CE1 3.96Å; E515-Y518 HydrophobicContact CG-CE1 4.26Å; E515-Y518 PolarHBondContact N-OH 3.28Å; E515-N521 PolarHBondContact OE1-ND2 2.88Å
516	I	92.6	Very high	90.1	Very high	46 Å²	46	19.8 Å²	19.8	24%	0.236	10%	0.096	C	C	.	.	S	Bend	trans	-55.7	-42.1	178.5	-70.7	179.5	0	0	0	111	F267 L330 A331 D332	F267-I516 HydrophobicContact CE1-CB 4.07Å; F267-I516 HydrophobicContact CE1-CG1 4.08Å; F267-I516 HydrophobicContact CE1-CG2 3.78Å; F267-I516 HydrophobicContact CE2-CD1 4.5Å; F267-I516 HydrophobicContact CE2-CG1 4.12Å; F267-I516 HydrophobicContact CZ-CB 4.18Å; F267-I516 HydrophobicContact CZ-CD1 4.35Å; F267-I516 HydrophobicContact CZ-CG1 3.84Å; F267-I516 HydrophobicContact CZ-CG2 3.76Å; L330-I516 HydrophobicContact CB-CG1 3.68Å; A331-I516 PolarHBondContact O-N 3.35Å; D332-I516 HydrophobicContact CB-CB 4.02Å; D332-I516 HydrophobicContact CB-CD1 4.23Å; D332-I516 HydrophobicContact CB-CG1 4.27Å
517	T	90.2	Very high	90.4	Very high	45 Å²	45	19.7 Å²	19.7	28%	0.276	10%	0.096	S	C	.	.			trans	-147.6	158.1	179.3	179.6	0	0	0	0	108.7	E515 E519	E515-T517 PolarHBondContact O-N 3.03Å; T517-E519 WeakPolarHBondContact OG1-CB 3.44Å; T517-E519 VanDerWaalsContact OG1-CG 3.29Å; T517-E519 WeakPolarHBondContact OG1-CG 3.3Å; T517-E519 PolarHBondContact OG1-N 3.37Å
518	Y	88.8	Confident	90.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	10%	0.103	C	C	.	.	S	Bend	trans	-115.2	4.3	172.6	-58.5	-82.4	0	0	0	112	G253 A254 F511 P514 E515 N520 N521 P547	G253-Y518 VanDerWaalsContact C-OH 3.26Å; G253-Y518 WeakPolarHBondContact CA-OH 3.46Å; A254-Y518 HydrophobicContact CB-CD2 4.07Å; A254-Y518 HydrophobicContact CB-CE2 3.7Å; A254-Y518 PolarHBondContact N-OH 3.44Å; F511-Y518 HydrophobicContact CB-CE1 4.22Å; F511-Y518 AromaticContact CD1-CD1 3.35Å; F511-Y518 HydrophobicContact CD1-CD1 3.35Å; F511-Y518 AromaticContact CD1-CE1 3.57Å; F511-Y518 HydrophobicContact CD1-CE1 3.57Å; F511-Y518 AromaticContact CD1-CG 4Å; F511-Y518 HydrophobicContact CD1-CG 4Å; F511-Y518 AromaticContact CE1-CD1 3.68Å; F511-Y518 HydrophobicContact CE1-CD1 3.68Å; F511-Y518 HydrophobicContact CE1-CE1 4.36Å; F511-Y518 HydrophobicContact CE1-CG 4Å; F511-Y518 HydrophobicContact CG-CD1 4.43Å; F511-Y518 HydrophobicContact CG-CE1 4.32Å; P514-Y518 WeakPolarHBondContact CA-OH 3.47Å; E515-Y518 HydrophobicContact CB-CD1 4.38Å; E515-Y518 HydrophobicContact CB-CE1 3.96Å; E515-Y518 HydrophobicContact CG-CE1 4.26Å; E515-Y518 PolarHBondContact N-OH 3.28Å; Y518-N520 PolarHBondContact O-N 2.94Å; Y518-N521 PolarHBondContact O-N 3.01Å; Y518-P547 WeakPolarHBondContact O-CD 3.49Å
519	E	90.5	Very high	90.9	Very high	82 Å²	82	20.8 Å²	20.8	38%	0.383	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.5	-179	-66.3	-69.3	161.2	0	0	113.7	T517 V545 H546	T517-E519 WeakPolarHBondContact OG1-CB 3.44Å; T517-E519 VanDerWaalsContact OG1-CG 3.29Å; T517-E519 WeakPolarHBondContact OG1-CG 3.3Å; T517-E519 PolarHBondContact OG1-N 3.37Å; E519-V545 CarbonylContact O-C 3.44Å; E519-H546 PolarHBondContact O-N 3.43Å; E519-H546 IonicContact OE1-CD2 3.31Å; E519-H546 IonicContact OE2-CD2 3.83Å
520	N	93.7	Very high	91.3	Very high	13 Å²	13	21.4 Å²	21.4	7%	0.07	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	6.3	-176.6	55.9	-16.7	0	0	0	113.1	D332 E334 P335 Y518 A522 L544	D332-N520 PolarHBondContact OD1-ND2 2.99Å; D332-N520 PolarHBondContact OD1-OD1 2.81Å; E334-N520 HydrophobicContact CG-CB 4.5Å; P335-N520 WeakPolarHBondContact CD-O 3.38Å; Y518-N520 PolarHBondContact O-N 2.94Å; N520-A522 PolarHBondContact O-N 3.03Å; N520-L544 HydrophobicContact CB-CD1 4.07Å; N520-L544 HydrophobicContact CB-CD2 4.41Å
521	N	92.3	Very high	91.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-75.8	-3.2	-176.1	-85.4	47.5	0	0	0	114.7	L507 E515 Y518 P547	L507-N521 PolarHBondContact N-O 2.87Å; L507-N521 PolarHBondContact O-ND2 2.96Å; E515-N521 PolarHBondContact OE1-ND2 2.88Å; Y518-N521 PolarHBondContact O-N 3.01Å; N521-P547 HydrophobicContact CB-CG 3.6Å
522	A	94	Very high	90.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.3	177.6	0	0	0	0	0	113.5	L505 I506 N520 L544 V545 P547 L550	L505-A522 CarbonylContact O-C 3.39Å; L505-A522 WeakPolarHBondContact O-CA 3.43Å; L505-A522 WeakPolarHBondContact O-CB 3.44Å; I506-A522 HydrophobicContact CB-CB 4.38Å; I506-A522 HydrophobicContact CG1-CB 3.84Å; N520-A522 PolarHBondContact O-N 3.03Å; A522-L544 CarbonylContact O-C 3.57Å; A522-L544 VanDerWaalsContact O-CA 3.3Å; A522-L544 WeakPolarHBondContact O-CA 3.32Å; A522-V545 HydrophobicContact CB-CG2 4.02Å; A522-V545 WeakPolarHBondContact CB-O 3.44Å; A522-V545 PolarHBondContact N-O 3.11Å; A522-V545 PolarHBondContact O-N 2.84Å; A522-P547 HydrophobicContact CB-CB 4.39Å; A522-P547 HydrophobicContact CB-CG 4.04Å; A522-L550 HydrophobicContact CB-CD1 3.61Å; A522-L550 HydrophobicContact CB-CG 4.45Å
523	I	96.9	Very high	89.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.1	172.7	-62.1	171.2	0	0	0	109.1	P335 V337 L340 Q504 L505 C525 C542 R543 L544	P335-I523 HydrophobicContact CB-CD1 3.59Å; P335-I523 HydrophobicContact CB-CG1 4.3Å; P335-I523 HydrophobicContact CG-CD1 3.6Å; P335-I523 HydrophobicContact CG-CG1 3.74Å; V337-I523 HydrophobicContact CB-CD1 4.42Å; V337-I523 HydrophobicContact CG2-CD1 3.96Å; V337-I523 HydrophobicContact CG2-CG1 4.13Å; L340-I523 HydrophobicContact CB-CD1 4.5Å; L340-I523 HydrophobicContact CD2-CB 4.08Å; L340-I523 HydrophobicContact CD2-CD1 3.72Å; L340-I523 HydrophobicContact CD2-CG2 3.73Å; Q504-I523 CarbonylContact C-O 3.55Å; Q504-I523 VanDerWaalsContact CA-O 3.3Å; Q504-I523 WeakPolarHBondContact CA-O 3.17Å; L505-I523 PolarHBondContact N-O 3.46Å; L505-I523 PolarHBondContact O-N 2.71Å; I523-C525 VanDerWaalsContact CG2-SG 3.6Å; I523-C542 HydrophobicContact CG2-CB 3.99Å; I523-R543 VanDerWaalsContact CA-O 3.29Å; I523-R543 WeakPolarHBondContact CA-O 3.32Å; I523-L544 HydrophobicContact CG1-CD2 3.93Å
524	E	96.5	Very high	88	Confident	36 Å²	36	42.8 Å²	42.8	17%	0.168	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.5	166.7	-175.3	175.1	72	0	0	110.3	T502 Q504 C542 R543 V545 L550	T502-E524 HydrophobicContact CG2-CG 3.39Å; T502-E524 WeakPolarHBondContact CG2-OE2 3.38Å; Q504-E524 HydrophobicContact CG-CB 4.4Å; Q504-E524 HydrophobicContact CG-CG 4.09Å; Q504-E524 PolarHBondContact NE2-OE2 2.91Å; E524-C542 CarbonylContact O-C 3.57Å; E524-C542 VanDerWaalsContact O-CA 3.27Å; E524-C542 WeakPolarHBondContact O-CA 3.37Å; E524-R543 PolarHBondContact N-O 2.76Å; E524-R543 PolarHBondContact O-N 2.86Å; E524-R543 IonicContact OE1-CZ 2.77Å; E524-R543 IonicContact OE1-NE 3.86Å; E524-R543 IonicContact OE1-NH2 3.31Å; E524-R543 PolarHBondContact OE1-NH2 2.98Å; E524-V545 HydrophobicContact CB-CG1 4.42Å; E524-V545 HydrophobicContact CB-CG2 4.14Å; E524-L550 HydrophobicContact CB-CD2 4.05Å
525	C	98.4	Very high	87.2	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.4	178	-58.7	0	0	0	0	111	T502 F503 I523 L539 C542	T502-C525 CarbonylContact C-O 3.52Å; T502-C525 WeakPolarHBondContact CA-O 3.39Å; T502-C525 WeakPolarHBondContact CG2-O 3.41Å; F503-C525 HydrophobicContact CB-CB 4.33Å; F503-C525 HydrophobicContact CD1-CB 4.29Å; F503-C525 PolarHBondContact N-O 3.1Å; F503-C525 PolarHBondContact O-N 3.16Å; I523-C525 VanDerWaalsContact CG2-SG 3.6Å; C525-L539 HydrophobicContact CB-CB 4.24Å; C525-L539 HydrophobicContact CB-CD1 4.49Å; C525-L539 HydrophobicContact CB-CD2 4.04Å; C525-L539 HydrophobicContact CB-CG 4.49Å; C525-C542 HydrophobicContact CB-CB 4.12Å; C525-C542 WeakPolarHBondContact CB-SG 3.41Å; C525-C542 WeakPolarHBondContact SG-CB 3.48Å; C525-C542 CovalentContact SG-SG 2.03Å; C525-C542 PolarHBondContact SG-SG 2.84Å
526	R	98.2	Very high	87	Confident	108 Å²	108	53.4 Å²	53.4	41%	0.408	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.2	158.9	176.1	-174.2	-66.1	-149.5	-4.3	109.1	E500 L539 S540	E500-R526 WeakPolarHBondContact OE2-CD 3.35Å; E500-R526 WeakPolarHBondContact OE2-CG 3.49Å; R526-L539 CarbonylContact O-C 3.15Å; R526-L539 WeakPolarHBondContact O-CA 3.43Å; R526-S540 WeakPolarHBondContact CB-O 3.26Å; R526-S540 PolarHBondContact N-O 3.34Å; R526-S540 PolarHBondContact O-N 3.16Å
527	L	97.8	Very high	87.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.9	172.8	169.6	61	0	0	0	109.7	L386 V429 Y501 F503 I529 A537 L539	L386-L527 HydrophobicContact CD1-CD1 4.18Å; L386-L527 HydrophobicContact CD2-CD1 3.8Å; L386-L527 HydrophobicContact CD2-CD2 4.07Å; V429-L527 HydrophobicContact CB-CD2 4.46Å; V429-L527 HydrophobicContact CG1-CD2 3.83Å; V429-L527 HydrophobicContact CG2-CD2 3.7Å; Y501-L527 PolarHBondContact N-O 2.74Å; Y501-L527 PolarHBondContact O-N 3.15Å; F503-L527 HydrophobicContact CB-CB 4.02Å; L527-I529 HydrophobicContact CD1-CG1 4.24Å; L527-I529 HydrophobicContact CD2-CD1 4.27Å; L527-I529 HydrophobicContact CD2-CG1 4.44Å; L527-I529 HydrophobicContact CG-CD1 4.45Å; L527-I529 HydrophobicContact CG-CG1 4.1Å; L527-A537 HydrophobicContact CD1-CB 4.29Å; L527-L539 HydrophobicContact CB-CD2 3.98Å; L527-L539 HydrophobicContact CD1-CD2 3.95Å
528	S	95.8	Very high	87.4	Confident	22 Å²	22	50.1 Å²	50.1	15%	0.154	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121	175.7	-63.7	0	0	0	0	109.9	E500 A537 A538	E500-S528 VanDerWaalsContact CD-OG 3.24Å; E500-S528 WeakPolarHBondContact OE1-CA 3.37Å; E500-S528 WeakPolarHBondContact OE1-CB 3.3Å; E500-S528 PolarHBondContact OE1-OG 2.68Å; E500-S528 PolarHBondContact OE2-OG 3.47Å; E500-S528 VanDerWaalsContact OE2-OG 3.12Å; S528-A537 VanDerWaalsContact O-CA 3.27Å; S528-A537 WeakPolarHBondContact O-CA 3.35Å; S528-A538 PolarHBondContact N-O 3.42Å; S528-A538 PolarHBondContact O-N 2.99Å; S528-A538 VanDerWaalsContact O-N 3.13Å
529	I	94.4	Very high	87.8	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.6	176	-58.7	-179.8	0	0	0	108.5	I493 L496 P498 G499 Y501 L527 A537	I493-I529 HydrophobicContact CD1-CD1 4.36Å; L496-I529 HydrophobicContact CB-CD1 3.82Å; L496-I529 HydrophobicContact CD1-CD1 3.88Å; P498-I529 CarbonylContact C-O 3.49Å; P498-I529 VanDerWaalsContact CA-O 3.31Å; P498-I529 WeakPolarHBondContact CA-O 3.36Å; G499-I529 PolarHBondContact N-O 2.69Å; G499-I529 PolarHBondContact O-N 2.57Å; Y501-I529 HydrophobicContact CD2-CD1 3.88Å; Y501-I529 HydrophobicContact CD2-CG1 4.25Å; Y501-I529 HydrophobicContact CE2-CD1 3.87Å; Y501-I529 HydrophobicContact CE2-CG1 4.44Å; L527-I529 HydrophobicContact CD1-CG1 4.24Å; L527-I529 HydrophobicContact CD2-CD1 4.27Å; L527-I529 HydrophobicContact CD2-CG1 4.44Å; L527-I529 HydrophobicContact CG-CD1 4.45Å; L527-I529 HydrophobicContact CG-CG1 4.1Å; I529-A537 HydrophobicContact CG1-CB 4.24Å
530	G	89.5	Confident	88.2	Confident	15 Å²	15	48.3 Å²	48.3	16%	0.155	24%	0.243	C	C	.	.			trans	-75.6	154.6	-172	0	0	0	0	0	115.2	P498 Y536	P498-G530 WeakPolarHBondContact CG-O 3.35Å; G530-Y536 PolarHBondContact N-O 2.96Å
531	H	75.7	Confident	88.4	Confident	140 Å²	140	54.3 Å²	54.3	65%	0.648	27%	0.269	S	S	*	.	S	Bend	trans	-84.9	-38.2	177.4	-70.6	-81.7	0	0	0	114	P498	P498-H531 HydrophobicContact CB-CB 4.41Å; P498-H531 WeakPolarHBondContact CB-ND1 3.32Å
532	T	63.9	Low	88.7	Confident	126 Å²	126	55.1 Å²	55.1	77%	0.773	27%	0.274	S	S	*	.	S	Bend	trans	-93.8	-34	-161.7	48	0	0	0	0	113.6
533	N	58.7	Low	88.8	Confident	105 Å²	105	62.1 Å²	62.1	56%	0.561	30%	0.301	S	S	*	.	S	Bend	trans	-107.8	107.8	169.2	-66.7	-15.8	0	0	0	105.8	H535 Y536	N533-H535 PolarHBondContact O-N 2.86Å; N533-Y536 PolarHBondContact O-N 2.97Å
534	H	59.6	Low	88.9	Confident	139 Å²	139	65.2 Å²	65.2	64%	0.644	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	0.5	174.7	-66.1	-68.5	0	0	0	114.2	R384	R384-H534 PolarHBondContact NE-O 2.97Å; R384-H534 VanDerWaalsContact NE-O 3.17Å; R384-H534 PolarHBondContact NH1-O 3.12Å
535	H	72	Confident	88.7	Confident	110 Å²	110	64.5 Å²	64.5	51%	0.509	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	12.7	-178.5	-43.3	-46	0	0	0	113.6	S346 M348 N533	S346-H535 PolarHBondContact OG-O 3.17Å; M348-H535 WeakPolarHBondContact CG-CE1 3.45Å; M348-H535 WeakPolarHBondContact CG-ND1 3.44Å; N533-H535 PolarHBondContact O-N 2.86Å
536	Y	88.2	Confident	88.3	Confident	124 Å²	124	64.5 Å²	64.5	49%	0.486	32%	0.315	S	S	.	.			trans	-95.8	110.9	173	-179.5	-96.4	0	0	0	111.2	R384 G530 N533 A538	R384-Y536 PolarHBondContact NH2-O 2.7Å; G530-Y536 PolarHBondContact N-O 2.96Å; N533-Y536 PolarHBondContact O-N 2.97Å; Y536-A538 HydrophobicContact CE1-CB 4.41Å; Y536-A538 HydrophobicContact CE2-CB 4.17Å
537	A	94.3	Very high	87.8	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.7	162.9	0	0	0	0	0	108.4	S346 L386 I493 L527 S528 I529	S346-A537 PolarHBondContact N-O 3.46Å; S346-A537 PolarHBondContact OG-N 2.73Å; L386-A537 HydrophobicContact CD1-CB 4.01Å; I493-A537 HydrophobicContact CD1-CB 3.69Å; L527-A537 HydrophobicContact CD1-CB 4.29Å; S528-A537 VanDerWaalsContact O-CA 3.27Å; S528-A537 WeakPolarHBondContact O-CA 3.35Å; I529-A537 HydrophobicContact CG1-CB 4.24Å
538	A	95.3	Very high	87.1	Confident	19 Å²	19	60 Å²	60	16%	0.157	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.9	-177	0	0	0	0	0	111.1	S528 Y536	S528-A538 PolarHBondContact N-O 3.42Å; S528-A538 PolarHBondContact O-N 2.99Å; S528-A538 VanDerWaalsContact O-N 3.13Å; Y536-A538 HydrophobicContact CE1-CB 4.41Å; Y536-A538 HydrophobicContact CE2-CB 4.17Å
539	L	98.1	Very high	86.5	Confident	11 Å²	11	64.4 Å²	64.4	6%	0.058	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148.2	172	-61.3	-177.5	0	0	0	110.3	L340 A344 L386 F503 C525 R526 L527	L340-L539 HydrophobicContact CG-CD1 4.19Å; A344-L539 HydrophobicContact CB-CB 3.96Å; A344-L539 HydrophobicContact CB-CD1 3.77Å; A344-L539 HydrophobicContact CB-CG 3.66Å; L386-L539 HydrophobicContact CD2-CD2 4.33Å; F503-L539 HydrophobicContact CB-CD2 3.58Å; F503-L539 HydrophobicContact CD1-CD1 3.87Å; F503-L539 HydrophobicContact CD1-CD2 4.04Å; F503-L539 HydrophobicContact CD2-CD2 4.45Å; F503-L539 HydrophobicContact CE1-CD1 4.06Å; F503-L539 HydrophobicContact CG-CD1 4.33Å; F503-L539 HydrophobicContact CG-CD2 3.78Å; C525-L539 HydrophobicContact CB-CB 4.24Å; C525-L539 HydrophobicContact CB-CD1 4.49Å; C525-L539 HydrophobicContact CB-CD2 4.04Å; C525-L539 HydrophobicContact CB-CG 4.49Å; R526-L539 CarbonylContact O-C 3.15Å; R526-L539 WeakPolarHBondContact O-CA 3.43Å; L527-L539 HydrophobicContact CB-CD2 3.98Å; L527-L539 HydrophobicContact CD1-CD2 3.95Å
540	S	98.2	Very high	86	Confident	36 Å²	36	66.2 Å²	66.2	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.4	173.8	61.1	0	0	0	0	111	R526 C542	R526-S540 WeakPolarHBondContact CB-O 3.26Å; R526-S540 PolarHBondContact N-O 3.34Å; R526-S540 PolarHBondContact O-N 3.16Å; S540-C542 PolarHBondContact O-N 3.35Å
541	K	98	Very high	85.9	Confident	139 Å²	139	68.8 Å²	68.8	60%	0.604	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.8	36.6	177.8	-54	-175.7	179.5	-175.5	0	112.1	E341	E341-K541 PolarHBondContact OE2-N 3.26Å
542	C	98.5	Very high	86.4	Confident	17 Å²	17	65.1 Å²	65.1	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	140.5	176.9	-64.9	0	0	0	0	110.6	V337 E341 I523 E524 C525 S540	V337-C542 HydrophobicContact CG1-CB 3.47Å; V337-C542 VanDerWaalsContact CG1-CB 3.47Å; V337-C542 WeakPolarHBondContact CG1-O 3.23Å; E341-C542 HydrophobicContact CB-CB 4.18Å; E341-C542 VanDerWaalsContact OE2-CB 3.3Å; E341-C542 WeakPolarHBondContact OE2-CB 3.43Å; E341-C542 PolarHBondContact OE2-N 2.62Å; E341-C542 PolarHBondContact OE2-SG 2.83Å; I523-C542 HydrophobicContact CG2-CB 3.99Å; E524-C542 CarbonylContact O-C 3.57Å; E524-C542 VanDerWaalsContact O-CA 3.27Å; E524-C542 WeakPolarHBondContact O-CA 3.37Å; C525-C542 HydrophobicContact CB-CB 4.12Å; C525-C542 WeakPolarHBondContact CB-SG 3.41Å; C525-C542 WeakPolarHBondContact SG-CB 3.48Å; C525-C542 CovalentContact SG-SG 2.03Å; C525-C542 PolarHBondContact SG-SG 2.84Å; S540-C542 PolarHBondContact O-N 3.35Å
543	R	97.8	Very high	87.7	Confident	147 Å²	147	61.7 Å²	61.7	56%	0.555	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.7	149.6	177.4	57	172.8	179.9	-140.9	-0.8	111.3	I523 E524 V545	I523-R543 VanDerWaalsContact CA-O 3.29Å; I523-R543 WeakPolarHBondContact CA-O 3.32Å; E524-R543 PolarHBondContact N-O 2.76Å; E524-R543 PolarHBondContact O-N 2.86Å; E524-R543 IonicContact OE1-CZ 2.77Å; E524-R543 IonicContact OE1-NE 3.86Å; E524-R543 IonicContact OE1-NH2 3.31Å; E524-R543 PolarHBondContact OE1-NH2 2.98Å; R543-V545 HydrophobicContact CG-CG1 4.11Å
544	L	97.2	Very high	89.4	Confident	65 Å²	65	59.1 Å²	59.1	34%	0.34	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142	167.2	-65.1	172.1	0	0	0	110.1	E334 P335 V337 N520 A522 I523	E334-L544 HydrophobicContact CG-CD1 4.24Å; P335-L544 HydrophobicContact CG-CD2 3.77Å; V337-L544 HydrophobicContact CG2-CD1 4.46Å; V337-L544 HydrophobicContact CG2-CD2 3.74Å; V337-L544 HydrophobicContact CG2-CG 3.66Å; N520-L544 HydrophobicContact CB-CD1 4.07Å; N520-L544 HydrophobicContact CB-CD2 4.41Å; A522-L544 CarbonylContact O-C 3.57Å; A522-L544 VanDerWaalsContact O-CA 3.3Å; A522-L544 WeakPolarHBondContact O-CA 3.32Å; I523-L544 HydrophobicContact CG1-CD2 3.93Å
545	V	94	Very high	91.2	Very high	22 Å²	22	54.1 Å²	54.1	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	152.1	178.3	-67.9	0	0	0	0	109.5	E519 A522 E524 R543 L550	E519-V545 CarbonylContact O-C 3.44Å; A522-V545 HydrophobicContact CB-CG2 4.02Å; A522-V545 WeakPolarHBondContact CB-O 3.44Å; A522-V545 PolarHBondContact N-O 3.11Å; A522-V545 PolarHBondContact O-N 2.84Å; E524-V545 HydrophobicContact CB-CG1 4.42Å; E524-V545 HydrophobicContact CB-CG2 4.14Å; R543-V545 HydrophobicContact CG-CG1 4.11Å; V545-L550 HydrophobicContact CB-CD2 4.42Å; V545-L550 HydrophobicContact CG2-CD1 4.35Å; V545-L550 HydrophobicContact CG2-CD2 3.4Å; V545-L550 VanDerWaalsContact CG2-CD2 3.4Å; V545-L550 HydrophobicContact CG2-CG 3.93Å
546	H	89.9	Confident	92.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	24%	0.242	C	C	.	.			trans	-67	135.6	170.4	-168.8	-70.5	0	0	0	108.9	F295 E519 Y548 D549	F295-H546 PolarHBondContact O-NE2 2.93Å; E519-H546 PolarHBondContact O-N 3.43Å; E519-H546 IonicContact OE1-CD2 3.31Å; E519-H546 IonicContact OE2-CD2 3.83Å; H546-Y548 AromaticContact CE1-CD2 3.1Å; H546-Y548 WeakPolarHBondContact CE1-CD2 3.33Å; H546-Y548 AromaticContact CE1-CE2 3.73Å; H546-Y548 AromaticContact CE1-CG 3.68Å; H546-Y548 WeakPolarHBondContact ND1-CB 3.32Å; H546-Y548 AromaticContact ND1-CD2 3.61Å; H546-Y548 AromaticContact ND1-CG 3.78Å; H546-Y548 PolarHBondContact ND1-N 3.18Å; H546-Y548 PolarHBondContact O-N 3.4Å; H546-Y548 VanDerWaalsContact O-N 3.15Å; H546-D549 WeakPolarHBondContact O-CB 3.38Å; H546-D549 PolarHBondContact O-N 3.43Å
547	P	87.9	Confident	92.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56.1	-34.6	-179.6	-24.3	30.1	0	0	0	113.9	I187 I506 F511 Y518 N521 A522 D549 L550	I187-P547 HydrophobicContact CD1-CB 3.41Å; I187-P547 VanDerWaalsContact CD1-CB 3.41Å; I187-P547 HydrophobicContact CG1-CB 3.96Å; I506-P547 HydrophobicContact CG2-CB 4.22Å; I506-P547 HydrophobicContact CG2-CG 4.32Å; F511-P547 HydrophobicContact CE1-CB 4.29Å; F511-P547 HydrophobicContact CE1-CG 3.96Å; F511-P547 HydrophobicContact CZ-CB 3.91Å; F511-P547 HydrophobicContact CZ-CG 4.07Å; Y518-P547 WeakPolarHBondContact O-CD 3.49Å; N521-P547 HydrophobicContact CB-CG 3.6Å; A522-P547 HydrophobicContact CB-CB 4.39Å; A522-P547 HydrophobicContact CB-CG 4.04Å; P547-D549 PolarHBondContact O-N 3.17Å; P547-L550 WeakPolarHBondContact O-CB 3.27Å; P547-L550 PolarHBondContact O-N 2.79Å
548	Y	81.6	Confident	92.7	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.055	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63	-16.3	172	-67	-43.2	0	0	0	116.2	I187 W189 V193 H293 C294 F295 F511 H546 L550	I187-Y548 HydrophobicContact CG2-CD1 3.35Å; I187-Y548 HydrophobicContact CG2-CE1 3.79Å; I187-Y548 HydrophobicContact CG2-CG 4.38Å; W189-Y548 HydrophobicContact CZ2-CE1 4.4Å; W189-Y548 AromaticContact NE1-CE1 3.77Å; V193-Y548 HydrophobicContact CG1-CG 4.5Å; V193-Y548 HydrophobicContact CG2-CD1 3.89Å; V193-Y548 HydrophobicContact CG2-CG 4.37Å; H293-Y548 HydrophobicContact CB-CE2 4.36Å; C294-Y548 VanDerWaalsContact O-CE2 3.32Å; C294-Y548 WeakPolarHBondContact O-CE2 3.23Å; F295-Y548 AromaticContact CD1-CD2 3.99Å; F295-Y548 HydrophobicContact CD1-CD2 3.99Å; F295-Y548 HydrophobicContact CE1-CD2 4.11Å; F295-Y548 HydrophobicContact CE1-CG 4.49Å; F295-Y548 HydrophobicContact CG-CD2 4.48Å; F511-Y548 AromaticContact CE2-CE1 3.81Å; F511-Y548 HydrophobicContact CE2-CE1 3.81Å; F511-Y548 HydrophobicContact CE2-CE2 4.33Å; F511-Y548 AromaticContact CE2-CZ 3.6Å; F511-Y548 WeakPolarHBondContact CE2-OH 3.33Å; F511-Y548 HydrophobicContact CZ-CE1 4.32Å; F511-Y548 HydrophobicContact CZ-CE2 4.45Å; H546-Y548 AromaticContact CE1-CD2 3.1Å; H546-Y548 WeakPolarHBondContact CE1-CD2 3.33Å; H546-Y548 AromaticContact CE1-CE2 3.73Å; H546-Y548 AromaticContact CE1-CG 3.68Å; H546-Y548 WeakPolarHBondContact ND1-CB 3.32Å; H546-Y548 AromaticContact ND1-CD2 3.61Å; H546-Y548 AromaticContact ND1-CG 3.78Å; H546-Y548 PolarHBondContact ND1-N 3.18Å; H546-Y548 PolarHBondContact O-N 3.4Å; H546-Y548 VanDerWaalsContact O-N 3.15Å; Y548-L550 VanDerWaalsContact C-N 3.31Å
549	D	84	Confident	92.5	Very high	113 Å²	113	50.8 Å²	50.8	60%	0.604	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-83.8	-8.2	175.6	-70.3	-32.4	0	0	0	113.1	H546 P547	H546-D549 WeakPolarHBondContact O-CB 3.38Å; H546-D549 PolarHBondContact O-N 3.43Å; P547-D549 PolarHBondContact O-N 3.17Å
550	L	84.5	Confident	92	Very high	44 Å²	44	54.5 Å²	54.5	23%	0.23	26%	0.263	C	S	.	.			trans	-87.2	0	-174.2	-66.7	-171.8	0	0	0	117.1	Q504 I506 A522 E524 V545 P547 Y548	Q504-L550 HydrophobicContact CB-CD1 4.16Å; Q504-L550 HydrophobicContact CG-CD1 4.35Å; Q504-L550 HydrophobicContact CG-CD2 4.02Å; Q504-L550 PolarHBondContact NE2-OXT 3.32Å; Q504-L550 PolarHBondContact OE1-OXT 3.29Å; I506-L550 HydrophobicContact CD1-CD1 3.84Å; I506-L550 HydrophobicContact CG1-CD1 3.57Å; A522-L550 HydrophobicContact CB-CD1 3.61Å; A522-L550 HydrophobicContact CB-CG 4.45Å; E524-L550 HydrophobicContact CB-CD2 4.05Å; V545-L550 HydrophobicContact CB-CD2 4.42Å; V545-L550 HydrophobicContact CG2-CD1 4.35Å; V545-L550 HydrophobicContact CG2-CD2 3.4Å; V545-L550 VanDerWaalsContact CG2-CD2 3.4Å; V545-L550 HydrophobicContact CG2-CG 3.93Å; P547-L550 WeakPolarHBondContact O-CB 3.27Å; P547-L550 PolarHBondContact O-N 2.79Å; Y548-L550 VanDerWaalsContact C-N 3.31Å

Retrieved 550 of 550 residues in 765.9 ms (Link to these results)

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