A0A3Q0KKK5_SCHMA Loading...

Putative follistatin

AlphaFold DB , UniProt , Accession A0A3Q0KKK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 521 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	33.6	Very low	39	Very low	229 Å²	229	165.1 Å²	165.1	100%	1.128	83%	0.826	S	S	*	*				0	-11.4	0	-105.4	-74.9	178.5	0	0	113.8
2	M	34.6	Very low	38.5	Very low	178 Å²	178	168.8 Å²	168.8	88%	0.877	83%	0.825	S	S	*	*			trans	-100.1	19.5	179.1	-85.7	-171.3	69.4	0	0	115.7
3	I	39.4	Very low	38.5	Very low	169 Å²	169	172.4 Å²	172.4	87%	0.867	83%	0.827	S	S	*	*	S	Bend	trans	-120.1	16.9	179	-51.5	177.4	0	0	0	111.9
4	L	39.3	Very low	38.4	Very low	150 Å²	150	165 Å²	165	79%	0.785	82%	0.819	S	S	*	*	S	Bend	trans	-114.3	6.6	178.4	-101.1	153.4	0	0	0	114.5
5	L	40	Very low	38.3	Very low	143 Å²	143	165.4 Å²	165.4	75%	0.749	82%	0.824	S	S	*	*	S	Bend	trans	-101.1	-7	179.9	-75.8	170	0	0	0	115.4
6	D	42.7	Very low	37.9	Very low	145 Å²	145	160.3 Å²	160.3	78%	0.775	81%	0.807	S	S	*	*	S	Bend	trans	-94.5	-2.7	-177.2	-79.3	-25.8	0	0	0	115.8
7	Q	40.9	Very low	38	Very low	195 Å²	195	162.5 Å²	162.5	91%	0.911	81%	0.811	S	S	*	*	S	Bend	trans	-101.8	0.6	178.4	-74.7	-142.3	-27.1	0	0	116.3
8	I	41.4	Very low	38.3	Very low	136 Å²	136	162.6 Å²	162.6	70%	0.697	81%	0.812	S	S	*	*	S	Bend	trans	-97.4	-6.4	177.7	-62.4	177.8	0	0	0	112.6	I10	I8-I10 PolarHBondContact O-N 2.9Å
9	N	38	Very low	38.2	Very low	125 Å²	125	162.5 Å²	162.5	67%	0.668	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	5.5	-169	-127.4	-14.6	0	0	0	116.6
10	I	42.9	Very low	38.4	Very low	148 Å²	148	160.1 Å²	160.1	76%	0.759	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	-13.2	-176	-64.4	178.6	0	0	0	114.3	I8	I8-I10 PolarHBondContact O-N 2.9Å
11	F	36	Very low	38.5	Very low	198 Å²	198	158.7 Å²	158.7	87%	0.868	79%	0.791	S	S	*	*	S	Bend	trans	-95.9	-3	-174.8	-105.9	-87.6	0	0	0	117.1
12	Y	33.8	Very low	39.1	Very low	209 Å²	209	154.3 Å²	154.3	82%	0.82	77%	0.771	S	S	*	*	S	Bend	trans	-99.9	-3.7	-175.6	-104.2	-84.3	0	0	0	116.7	G14	Y12-G14 VanDerWaalsContact C-N 3.28Å; Y12-G14 PolarHBondContact O-N 3.48Å
13	Y	37.8	Very low	39.7	Very low	216 Å²	216	150.9 Å²	150.9	85%	0.847	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	1.6	-179	-93	-81.1	0	0	0	115.4
14	G	37.9	Very low	40.2	Very low	69 Å²	69	145.3 Å²	145.3	71%	0.711	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-22	-172.6	0	0	0	0	0	118	Y12	Y12-G14 VanDerWaalsContact C-N 3.28Å; Y12-G14 PolarHBondContact O-N 3.48Å
15	L	36.2	Very low	40.7	Very low	171 Å²	171	146 Å²	146	90%	0.895	73%	0.728	S	S	*	*	S	Bend	trans	-132.8	11.6	-164.9	-74	171.1	0	0	0	116.8
16	C	32.6	Very low	41.3	Very low	83 Å²	83	144.4 Å²	144.4	56%	0.561	72%	0.72	S	S	*	*			trans	-107.5	30.7	-179.9	-142.8	0	0	0	0	114.9	I20	C16-I20 WeakPolarHBondContact O-CD1 3.49Å
17	K	38.7	Very low	41.7	Very low	199 Å²	199	143.9 Å²	143.9	87%	0.865	71%	0.711	S	S	*	*	S	Bend	trans	-96.6	-7	173.7	-144.3	166.7	-174.6	175.3	0	114.4
18	I	42.9	Very low	42.5	Very low	163 Å²	163	139.4 Å²	139.4	84%	0.836	69%	0.693	S	S	*	*	S	Bend	trans	-105.3	-14.6	-178.9	-65	174.4	0	0	0	113.2
19	K	36.5	Very low	43	Very low	162 Å²	162	136.2 Å²	136.2	70%	0.704	68%	0.683	S	S	*	*	S	Bend	trans	-93.4	-8.1	177.4	-88.9	-172.6	174.1	-179.1	0	116.2	N21 L22	K19-N21 VanDerWaalsContact C-N 3.3Å; K19-N21 PolarHBondContact O-N 2.86Å; K19-L22 PolarHBondContact O-N 2.91Å
20	I	43.2	Very low	43.6	Very low	113 Å²	113	134.5 Å²	134.5	58%	0.579	67%	0.673	S	S	*	*	H	α-helix	trans	-72.1	-23	-178	-69.7	171	0	0	0	112.5	C16 L22	C16-I20 WeakPolarHBondContact O-CD1 3.49Å; I20-L22 PolarHBondContact O-N 3.36Å
21	N	40.2	Very low	44.1	Very low	131 Å²	131	131.5 Å²	131.5	70%	0.701	66%	0.658	S	S	*	*	H	α-helix	trans	-78.6	-16.3	-179.4	-116.7	-24.5	0	0	0	114.6	K19	K19-N21 VanDerWaalsContact C-N 3.3Å; K19-N21 PolarHBondContact O-N 2.86Å
22	L	47.1	Very low	44.9	Very low	138 Å²	138	126.8 Å²	126.8	72%	0.723	64%	0.64	S	S	*	*	H	α-helix	trans	-90.3	-32	176.8	-139.2	83.5	0	0	0	112.1	K19 I20 L26	K19-L22 PolarHBondContact O-N 2.91Å; I20-L22 PolarHBondContact O-N 3.36Å; L22-L26 PolarHBondContact O-N 3.2Å
23	L	46	Very low	45.6	Very low	105 Å²	105	121.3 Å²	121.3	55%	0.55	63%	0.625	S	S	.	*	H	α-helix	trans	-72.5	-29.1	-179.8	-82.8	156.3	0	0	0	112.9	L26 F27	L23-L26 PolarHBondContact O-N 3.31Å; L23-F27 PolarHBondContact O-N 2.95Å
24	S	50.6	Low	46	Very low	52 Å²	52	118.1 Å²	118.1	36%	0.364	62%	0.616	S	S	.	*	H	α-helix	trans	-68.5	-36.5	176.3	72.1	0	0	0	0	112.5	I28	S24-I28 WeakPolarHBondContact O-CD1 3.35Å; S24-I28 VanDerWaalsContact O-CG1 3.27Å; S24-I28 WeakPolarHBondContact O-CG1 3.41Å; S24-I28 PolarHBondContact O-N 2.89Å; S24-I28 VanDerWaalsContact O-N 3.09Å
25	K	49.5	Very low	46.3	Very low	164 Å²	164	121.2 Å²	121.2	71%	0.713	62%	0.616	S	S	*	*	H	α-helix	trans	-71.4	-34.9	175.8	-70.9	-168.4	178.7	-175.1	0	112.6	S29	K25-S29 WeakPolarHBondContact O-CB 3.49Å; K25-S29 PolarHBondContact O-N 3.41Å; K25-S29 VanDerWaalsContact O-N 3.13Å
26	L	52.5	Low	46.6	Very low	110 Å²	110	117.2 Å²	117.2	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-69.1	-39.3	175.7	-130.3	94.6	0	0	0	111.5	L22 L23 S29 L30	L22-L26 PolarHBondContact O-N 3.2Å; L23-L26 PolarHBondContact O-N 3.31Å; L26-S29 PolarHBondContact O-N 2.82Å; L26-L30 WeakPolarHBondContact O-CB 3.17Å; L26-L30 PolarHBondContact O-N 2.84Å
27	F	51.6	Low	46.9	Very low	135 Å²	135	119.2 Å²	119.2	59%	0.592	61%	0.605	S	S	*	*	H	α-helix	trans	-68.4	-38.9	177.9	-111.7	-88.6	0	0	0	112.9	L23 L30 I31	L23-F27 PolarHBondContact O-N 2.95Å; F27-L30 PolarHBondContact O-N 3.08Å; F27-I31 HydrophobicContact CD1-CD1 4.28Å; F27-I31 WeakPolarHBondContact O-CB 3.37Å; F27-I31 VanDerWaalsContact O-CG1 3.26Å; F27-I31 WeakPolarHBondContact O-CG1 3.3Å; F27-I31 PolarHBondContact O-N 2.86Å
28	I	57	Low	46.8	Very low	100 Å²	100	117.2 Å²	117.2	51%	0.513	60%	0.599	S	S	.	*	H	α-helix	trans	-67.9	-38.2	176.6	-64.7	165.2	0	0	0	110.6	S24 I31 I32	S24-I28 WeakPolarHBondContact O-CD1 3.35Å; S24-I28 VanDerWaalsContact O-CG1 3.27Å; S24-I28 WeakPolarHBondContact O-CG1 3.41Å; S24-I28 PolarHBondContact O-N 2.89Å; S24-I28 VanDerWaalsContact O-N 3.09Å; I28-I31 PolarHBondContact O-N 2.86Å; I28-I32 HydrophobicContact CG2-CD1 3.74Å; I28-I32 HydrophobicContact CG2-CG1 4.35Å; I28-I32 WeakPolarHBondContact O-CB 3.47Å; I28-I32 VanDerWaalsContact O-CG1 3.23Å; I28-I32 WeakPolarHBondContact O-CG1 3.27Å; I28-I32 PolarHBondContact O-N 2.75Å
29	S	51.9	Low	46.5	Very low	70 Å²	70	116.7 Å²	116.7	49%	0.49	60%	0.598	S	S	.	*	H	α-helix	trans	-66.5	-37.1	174.3	-168.1	0	0	0	0	112.5	K25 L26 I32 N33	K25-S29 WeakPolarHBondContact O-CB 3.49Å; K25-S29 PolarHBondContact O-N 3.41Å; K25-S29 VanDerWaalsContact O-N 3.13Å; L26-S29 PolarHBondContact O-N 2.82Å; S29-I32 PolarHBondContact O-N 3.4Å; S29-N33 WeakPolarHBondContact O-CB 3.14Å; S29-N33 PolarHBondContact O-N 3.2Å
30	L	51	Low	46.3	Very low	88 Å²	88	118.5 Å²	118.5	46%	0.461	60%	0.602	S	S	.	*	H	α-helix	trans	-68.6	-37.5	174.2	-113.6	136.9	0	0	0	112.2	L26 F27 N33 F34	L26-L30 WeakPolarHBondContact O-CB 3.17Å; L26-L30 PolarHBondContact O-N 2.84Å; F27-L30 PolarHBondContact O-N 3.08Å; L30-N33 PolarHBondContact O-N 3.33Å; L30-F34 HydrophobicContact CD2-CD2 3.94Å; L30-F34 HydrophobicContact CD2-CE2 3.85Å; L30-F34 WeakPolarHBondContact O-CB 3.42Å; L30-F34 WeakPolarHBondContact O-CD2 3.46Å; L30-F34 PolarHBondContact O-N 3.26Å
31	I	54.3	Low	45.9	Very low	86 Å²	86	118.3 Å²	118.3	44%	0.441	61%	0.606	S	S	.	*	H	α-helix	trans	-71.4	-36.6	175.5	-67	166.4	0	0	0	111	F27 I28 N33 F34 L35	F27-I31 HydrophobicContact CD1-CD1 4.28Å; F27-I31 WeakPolarHBondContact O-CB 3.37Å; F27-I31 VanDerWaalsContact O-CG1 3.26Å; F27-I31 WeakPolarHBondContact O-CG1 3.3Å; F27-I31 PolarHBondContact O-N 2.86Å; I28-I31 PolarHBondContact O-N 2.86Å; I31-N33 VanDerWaalsContact C-N 3.35Å; I31-F34 PolarHBondContact O-N 3.18Å; I31-L35 HydrophobicContact CG2-CD1 3.73Å; I31-L35 HydrophobicContact CG2-CG 4.2Å; I31-L35 VanDerWaalsContact O-CB 3.32Å; I31-L35 WeakPolarHBondContact O-CB 3.5Å; I31-L35 WeakPolarHBondContact O-CG 3.3Å; I31-L35 PolarHBondContact O-N 2.8Å
32	I	52.4	Low	45.6	Very low	98 Å²	98	118 Å²	118	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-67.8	-37	174.1	-67.6	167.5	0	0	0	110.6	I28 S29 S36	I28-I32 HydrophobicContact CG2-CD1 3.74Å; I28-I32 HydrophobicContact CG2-CG1 4.35Å; I28-I32 WeakPolarHBondContact O-CB 3.47Å; I28-I32 VanDerWaalsContact O-CG1 3.23Å; I28-I32 WeakPolarHBondContact O-CG1 3.27Å; I28-I32 PolarHBondContact O-N 2.75Å; S29-I32 PolarHBondContact O-N 3.4Å; I32-S36 WeakPolarHBondContact O-CB 3.2Å; I32-S36 PolarHBondContact O-N 2.87Å; I32-S36 PolarHBondContact O-OG 2.94Å
33	N	47.3	Very low	45	Very low	95 Å²	95	119.1 Å²	119.1	51%	0.508	61%	0.607	S	S	.	*	H	α-helix	trans	-69.9	-37	171.5	-89.2	-31.5	0	0	0	112.6	S29 L30 I31 S36 I37	S29-N33 WeakPolarHBondContact O-CB 3.14Å; S29-N33 PolarHBondContact O-N 3.2Å; L30-N33 PolarHBondContact O-N 3.33Å; I31-N33 VanDerWaalsContact C-N 3.35Å; N33-S36 PolarHBondContact O-N 3.39Å; N33-I37 VanDerWaalsContact O-CD1 3.31Å; N33-I37 WeakPolarHBondContact O-CD1 3.3Å; N33-I37 WeakPolarHBondContact O-CG1 3.48Å; N33-I37 PolarHBondContact O-N 3.3Å
34	F	46.5	Very low	44.5	Very low	148 Å²	148	118.8 Å²	118.8	65%	0.649	61%	0.609	S	S	*	*	H	α-helix	trans	-70.8	-33.3	175.5	-99.7	-85.5	0	0	0	113	L30 I31	L30-F34 HydrophobicContact CD2-CD2 3.94Å; L30-F34 HydrophobicContact CD2-CE2 3.85Å; L30-F34 WeakPolarHBondContact O-CB 3.42Å; L30-F34 WeakPolarHBondContact O-CD2 3.46Å; L30-F34 PolarHBondContact O-N 3.26Å; I31-F34 PolarHBondContact O-N 3.18Å
35	L	45.1	Very low	44.3	Very low	135 Å²	135	120.2 Å²	120.2	71%	0.707	62%	0.619	S	S	*	*	H	α-helix	trans	-83.4	-16.2	175.6	-67.7	175.2	0	0	0	113.2	I31	I31-L35 HydrophobicContact CG2-CD1 3.73Å; I31-L35 HydrophobicContact CG2-CG 4.2Å; I31-L35 VanDerWaalsContact O-CB 3.32Å; I31-L35 WeakPolarHBondContact O-CB 3.5Å; I31-L35 WeakPolarHBondContact O-CG 3.3Å; I31-L35 PolarHBondContact O-N 2.8Å
36	S	41.8	Very low	44.7	Very low	86 Å²	86	116.9 Å²	116.9	60%	0.601	61%	0.612	S	S	*	*	H	α-helix	trans	-94.5	-4.8	175	-55	0	0	0	0	114	I32 N33	I32-S36 WeakPolarHBondContact O-CB 3.2Å; I32-S36 PolarHBondContact O-N 2.87Å; I32-S36 PolarHBondContact O-OG 2.94Å; N33-S36 PolarHBondContact O-N 3.39Å
37	I	39.8	Very low	45.3	Very low	125 Å²	125	113 Å²	113	64%	0.641	59%	0.593	S	S	*	*	S	Bend	trans	-92.4	-7.3	173.1	-64.9	165.2	0	0	0	111.8	N33 D39	N33-I37 VanDerWaalsContact O-CD1 3.31Å; N33-I37 WeakPolarHBondContact O-CD1 3.3Å; N33-I37 WeakPolarHBondContact O-CG1 3.48Å; N33-I37 PolarHBondContact O-N 3.3Å; I37-D39 PolarHBondContact O-N 2.99Å
38	H	36.9	Very low	46.8	Very low	157 Å²	157	111.2 Å²	111.2	73%	0.727	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	6.1	-174.9	-122.7	-59.1	0	0	0	117
39	D	35.9	Very low	48.4	Very low	153 Å²	153	106.4 Å²	106.4	82%	0.818	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	10	178.5	-114.7	-3.1	0	0	0	115	I37 V41	I37-D39 PolarHBondContact O-N 2.99Å; D39-V41 PolarHBondContact O-N 3.35Å
40	Y	31.7	Very low	50.5	Low	199 Å²	199	103.1 Å²	103.1	78%	0.78	54%	0.541	S	S	*	.			trans	-83.4	64.1	158	-146.7	-95.8	0	0	0	108.6	E42	Y40-E42 HydrophobicContact CD1-CB 4.13Å; Y40-E42 HydrophobicContact CE1-CB 4.25Å; Y40-E42 HydrophobicContact CE1-CG 4.25Å; Y40-E42 PolarHBondContact O-N 2.74Å
41	V	35.8	Very low	52.6	Low	109 Å²	109	98.9 Å²	98.9	66%	0.661	52%	0.519	S	S	*	.			trans	-68.7	80.2	158.9	-178.8	0	0	0	0	105.1	D39 N43	D39-V41 PolarHBondContact O-N 3.35Å; V41-N43 PolarHBondContact O-N 2.81Å; V41-N43 VanDerWaalsContact O-N 3.07Å
42	E	33.7	Very low	54.7	Low	126 Å²	126	94.8 Å²	94.8	59%	0.589	50%	0.498	S	S	*	.			trans	-46.7	120.6	157.7	-157.1	169.2	-139.8	0	0	104.6	Y40 T44	Y40-E42 HydrophobicContact CD1-CB 4.13Å; Y40-E42 HydrophobicContact CE1-CB 4.25Å; Y40-E42 HydrophobicContact CE1-CG 4.25Å; Y40-E42 PolarHBondContact O-N 2.74Å; E42-T44 HydrophobicContact CB-CG2 4.35Å; E42-T44 PolarHBondContact O-N 3.19Å; E42-T44 PolarHBondContact O-OG1 3.43Å
43	N	33.4	Very low	56.8	Low	161 Å²	161	93.1 Å²	93.1	86%	0.861	50%	0.495	S	S	*	.			trans	-66.7	62.9	-177.2	-132.1	-6.2	0	0	0	107.8	V41 S45	V41-N43 PolarHBondContact O-N 2.81Å; V41-N43 VanDerWaalsContact O-N 3.07Å; N43-S45 PolarHBondContact O-N 3.15Å
44	T	36.6	Very low	59.1	Low	97 Å²	97	94.5 Å²	94.5	60%	0.595	50%	0.496	S	S	*	.			trans	-69.1	92.8	171.6	49.9	0	0	0	0	102.6	E42 V46	E42-T44 HydrophobicContact CB-CG2 4.35Å; E42-T44 PolarHBondContact O-N 3.19Å; E42-T44 PolarHBondContact O-OG1 3.43Å; T44-V46 PolarHBondContact O-N 2.84Å
45	S	46.7	Very low	61.5	Low	82 Å²	82	91 Å²	91	57%	0.573	48%	0.479	S	S	*	.			trans	-57.2	93.9	164.9	57	0	0	0	0	105	N43 T47	N43-S45 PolarHBondContact O-N 3.15Å; S45-T47 VanDerWaalsContact C-N 3.35Å; S45-T47 PolarHBondContact O-N 3.37Å
46	V	56.4	Low	63.8	Low	94 Å²	94	87 Å²	87	57%	0.57	46%	0.458	S	S	*	.			trans	-58.4	108.8	173.4	176.6	0	0	0	0	103.9	T44 I48	T44-V46 PolarHBondContact O-N 2.84Å; V46-I48 WeakPolarHBondContact O-CG1 3.33Å; V46-I48 PolarHBondContact O-N 3.29Å
47	T	65.1	Low	66.3	Low	30 Å²	30	91.5 Å²	91.5	18%	0.184	48%	0.475	C	S	.	.			trans	-62.5	109.7	177.6	-56.7	0	0	0	0	105.6	S45 Y81 N83 E134	S45-T47 VanDerWaalsContact C-N 3.35Å; S45-T47 PolarHBondContact O-N 3.37Å; T47-Y81 PolarHBondContact O-OH 3.23Å; T47-N83 HydrophobicContact CG2-CB 4.13Å; T47-E134 PolarHBondContact OG1-OE2 3.46Å
48	I	83.2	Confident	68.8	Low	96 Å²	96	89.4 Å²	89.4	49%	0.492	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.2	177.6	-59.2	175.6	0	0	0	107.1	V46	V46-I48 WeakPolarHBondContact O-CG1 3.33Å; V46-I48 PolarHBondContact O-N 3.29Å
49	G	91.2	Very high	71.4	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-172.4	-176.6	0	0	0	0	0	112.5	E67 S68 I69 Y81 L82	G49-E67 CarbonylContact C-O 3.57Å; G49-E67 CarbonylContact O-C 3.53Å; G49-S68 CarbonylContact O-C 3.57Å; G49-S68 WeakPolarHBondContact O-CA 3Å; G49-I69 PolarHBondContact N-O 3.32Å; G49-I69 PolarHBondContact O-N 2.84Å; G49-Y81 WeakPolarHBondContact CA-OH 3.28Å; G49-Y81 PolarHBondContact N-OH 3.29Å; G49-L82 CarbonylContact C-O 3.32Å; G49-L82 WeakPolarHBondContact CA-O 3.46Å
50	S	95.1	Very high	74.2	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.5	174.1	-61.7	0	0	0	0	111	E66 E67 L82 R84 Q85 I86	S50-E66 WeakPolarHBondContact CA-O 3.31Å; S50-E67 PolarHBondContact OG-O 3.11Å; S50-L82 PolarHBondContact N-O 3.01Å; S50-L82 PolarHBondContact O-N 3.5Å; S50-R84 PolarHBondContact N-O 3.42Å; S50-R84 PolarHBondContact OG-O 3.22Å; S50-Q85 WeakPolarHBondContact OG-CA 3.02Å; S50-I86 PolarHBondContact OG-N 2.91Å
51	C	97	Very high	77.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.1	179.8	-171.9	0	0	0	0	111.4	M65 E66 I69 C74 F80	C51-M65 HydrophobicContact CB-CE 4.47Å; C51-M65 PolarHBondContact O-N 3.13Å; C51-M65 WeakPolarHBondContact SG-CE 3.31Å; C51-E66 PolarHBondContact N-O 3.4Å; C51-E66 PolarHBondContact O-N 2.79Å; C51-I69 HydrophobicContact CB-CD1 4.48Å; C51-I69 HydrophobicContact CB-CG2 3.48Å; C51-I69 VanDerWaalsContact CB-CG2 3.48Å; C51-C74 HydrophobicContact CB-CB 3.65Å; C51-C74 WeakPolarHBondContact CB-SG 3.35Å; C51-C74 WeakPolarHBondContact SG-CA 3.45Å; C51-C74 WeakPolarHBondContact SG-CB 3.22Å; C51-C74 CovalentContact SG-SG 2.03Å; C51-C74 PolarHBondContact SG-SG 3.25Å; C51-F80 WeakPolarHBondContact CA-O 3.4Å
52	F	97.3	Very high	80.2	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.3	-175.6	-61.3	-85	0	0	0	110.6	C61 I62 L64 M65 G79 F80 L82 I86 H95	F52-C61 HydrophobicContact CB-CB 3.64Å; F52-C61 HydrophobicContact CD1-CB 4.26Å; F52-C61 HydrophobicContact CD2-CB 3.79Å; F52-C61 HydrophobicContact CG-CB 3.63Å; F52-I62 WeakPolarHBondContact CB-O 3.45Å; F52-L64 HydrophobicContact CD1-CB 4.12Å; F52-L64 HydrophobicContact CD1-CD1 4.15Å; F52-L64 HydrophobicContact CE1-CB 4Å; F52-L64 HydrophobicContact CE1-CD1 3.65Å; F52-L64 HydrophobicContact CE1-CG 4.45Å; F52-L64 HydrophobicContact CZ-CD1 3.92Å; F52-M65 WeakPolarHBondContact O-CE 3Å; F52-G79 CarbonylContact O-C 3.52Å; F52-G79 VanDerWaalsContact O-CA 3.28Å; F52-G79 WeakPolarHBondContact O-CA 3.03Å; F52-F80 HydrophobicContact CB-CB 4.39Å; F52-F80 PolarHBondContact N-O 2.85Å; F52-F80 PolarHBondContact O-N 3.47Å; F52-L82 HydrophobicContact CE2-CB 3.92Å; F52-L82 HydrophobicContact CE2-CD2 4.19Å; F52-I86 HydrophobicContact CE1-CD1 4.47Å; F52-I86 HydrophobicContact CZ-CD1 4.42Å; F52-I86 HydrophobicContact CZ-CG2 3.83Å; F52-H95 AromaticContact CD1-CE1 3.95Å; F52-H95 AromaticContact CE1-CE1 3.39Å; F52-H95 WeakPolarHBondContact CE1-CE1 3.35Å; F52-H95 AromaticContact CE1-NE2 3.91Å
53	S	96.7	Very high	83.1	Confident	62 Å²	62	61.2 Å²	61.2	43%	0.434	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-29.2	-178.2	53.5	0	0	0	0	113.2	I62 G63	S53-I62 PolarHBondContact N-O 3.24Å; S53-I62 PolarHBondContact OG-O 2.98Å; S53-G63 WeakPolarHBondContact CB-O 3.23Å; S53-G63 PolarHBondContact N-O 3.11Å; S53-G63 WeakPolarHBondContact OG-CA 2.94Å; S53-G63 PolarHBondContact OG-O 3.46Å
54	K	95.7	Very high	86	Confident	124 Å²	124	55.4 Å²	55.4	54%	0.539	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.9	-173.6	-172.6	175.7	179.8	-177.2	0	112.5	C61 I62	K54-C61 CarbonylContact O-C 3.57Å; K54-C61 VanDerWaalsContact O-CA 3.3Å; K54-C61 WeakPolarHBondContact O-CA 3.43Å; K54-I62 HydrophobicContact CB-CG1 4.21Å; K54-I62 PolarHBondContact N-O 2.03Å; K54-I62 PolarHBondContact O-N 2.81Å
55	R	96.1	Very high	88.8	Confident	75 Å²	75	54.1 Å²	54.1	28%	0.283	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.1	166.7	-168.3	166.2	66.3	-169.6	-2.2	110.5	G59 N60 F80 C105 E111	R55-G59 WeakPolarHBondContact CD-O 3.39Å; R55-G59 WeakPolarHBondContact CG-O 3.49Å; R55-N60 CarbonylContact C-O 3.26Å; R55-N60 WeakPolarHBondContact CA-O 3.44Å; R55-F80 HydrophobicContact CB-CD1 3.65Å; R55-F80 HydrophobicContact CB-CD2 4.17Å; R55-F80 HydrophobicContact CB-CE1 3.5Å; R55-F80 HydrophobicContact CB-CE2 4.05Å; R55-F80 HydrophobicContact CB-CG 3.98Å; R55-F80 HydrophobicContact CB-CZ 3.72Å; R55-F80 HydrophobicContact CG-CD1 4.43Å; R55-F80 HydrophobicContact CG-CE1 4.45Å; R55-C105 PolarHBondContact NH1-O 2.77Å; R55-E111 IonicContact CZ-OE1 3.52Å; R55-E111 IonicContact CZ-OE2 3.58Å; R55-E111 IonicContact NH1-OE1 3.39Å; R55-E111 PolarHBondContact NH1-OE1 2.92Å; R55-E111 IonicContact NH1-OE2 2.7Å; R55-E111 PolarHBondContact NH1-OE2 2.81Å; R55-E111 IonicContact NH2-OE1 2.74Å; R55-E111 PolarHBondContact NH2-OE1 2.82Å; R55-E111 IonicContact NH2-OE2 3.57Å
56	L	94.4	Very high	91	Very high	52 Å²	52	54.1 Å²	54.1	27%	0.272	30%	0.303	S	S	.	.			trans	-75.7	165.9	176	-62.4	179	0	0	0	111.1	S58 G59 N60 I62	L56-S58 PolarHBondContact O-N 3.46Å; L56-G59 PolarHBondContact O-N 3.47Å; L56-N60 WeakPolarHBondContact CB-O 3.39Å; L56-N60 PolarHBondContact N-O 2Å; L56-I62 HydrophobicContact CD1-CG2 3.82Å; L56-I62 HydrophobicContact CD2-CD1 3.72Å; L56-I62 HydrophobicContact CD2-CG1 4.11Å; L56-I62 HydrophobicContact CG-CD1 4.29Å; L56-I62 HydrophobicContact CG-CG1 4.2Å; L56-I62 HydrophobicContact CG-CG2 4.15Å
57	N	94.2	Very high	92.6	Very high	179 Å²	179	53.5 Å²	53.5	96%	0.957	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.8	176.3	-65.4	-6.4	0	0	0	112.9	G59	N57-G59 PolarHBondContact O-N 2.92Å
58	S	91.4	Very high	93.8	Very high	82 Å²	82	55 Å²	55	57%	0.573	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.2	172.4	56	0	0	0	0	113.5	L56 N60	L56-S58 PolarHBondContact O-N 3.46Å; S58-N60 VanDerWaalsContact C-N 3.33Å; S58-N60 PolarHBondContact OG-N 2.84Å
59	G	92.1	Very high	94.2	Very high	31 Å²	31	51 Å²	51	32%	0.32	29%	0.285	S	S	.	.	S	Bend	trans	89	-6.4	-170.3	0	0	0	0	0	113.8	R55 L56 N57 C105	R55-G59 WeakPolarHBondContact CD-O 3.39Å; R55-G59 WeakPolarHBondContact CG-O 3.49Å; L56-G59 PolarHBondContact O-N 3.47Å; N57-G59 PolarHBondContact O-N 2.92Å; G59-C105 PolarHBondContact O-SG 3.38Å
60	N	95.6	Very high	94.4	Very high	37 Å²	37	52.8 Å²	52.8	20%	0.198	30%	0.298	C	S	.	.			trans	-80.6	146	178	-66	-8	0	0	0	111.7	R55 L56 S58 S100 T102	R55-N60 CarbonylContact C-O 3.26Å; R55-N60 WeakPolarHBondContact CA-O 3.44Å; L56-N60 WeakPolarHBondContact CB-O 3.39Å; L56-N60 PolarHBondContact N-O 2Å; S58-N60 VanDerWaalsContact C-N 3.33Å; S58-N60 PolarHBondContact OG-N 2.84Å; N60-S100 WeakPolarHBondContact CB-O 3.01Å; N60-S100 PolarHBondContact ND2-O 3.19Å; N60-T102 CarbonylContact C-O 3.59Å; N60-T102 WeakPolarHBondContact CA-O 3.47Å
61	C	96.6	Very high	94.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.6	177.9	-71.7	0	0	0	0	113	F52 K54 F80 H95 G101 T102 C105	F52-C61 HydrophobicContact CB-CB 3.64Å; F52-C61 HydrophobicContact CD1-CB 4.26Å; F52-C61 HydrophobicContact CD2-CB 3.79Å; F52-C61 HydrophobicContact CG-CB 3.63Å; K54-C61 CarbonylContact O-C 3.57Å; K54-C61 VanDerWaalsContact O-CA 3.3Å; K54-C61 WeakPolarHBondContact O-CA 3.43Å; C61-F80 HydrophobicContact CB-CB 4.45Å; C61-F80 WeakPolarHBondContact SG-CB 3.4Å; C61-H95 PolarHBondContact O-CE1 3.39Å; C61-G101 CarbonylContact O-C 3.59Å; C61-G101 WeakPolarHBondContact O-CA 3.46Å; C61-T102 PolarHBondContact N-O 3.22Å; C61-T102 PolarHBondContact O-N 2.7Å; C61-C105 HydrophobicContact CB-CB 3.68Å; C61-C105 WeakPolarHBondContact CB-SG 3.4Å; C61-C105 PolarHBondContact N-SG 2.88Å; C61-C105 WeakPolarHBondContact SG-CB 2.87Å; C61-C105 CovalentContact SG-SG 2Å; C61-C105 PolarHBondContact SG-SG 3.39Å
62	I	95.8	Very high	94.1	Very high	47 Å²	47	61.1 Å²	61.1	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	170	-179.4	59.8	159.8	0	0	0	111.1	F52 S53 K54 L56	F52-I62 WeakPolarHBondContact CB-O 3.45Å; S53-I62 PolarHBondContact N-O 3.24Å; S53-I62 PolarHBondContact OG-O 2.98Å; K54-I62 HydrophobicContact CB-CG1 4.21Å; K54-I62 PolarHBondContact N-O 2.03Å; K54-I62 PolarHBondContact O-N 2.81Å; L56-I62 HydrophobicContact CD1-CG2 3.82Å; L56-I62 HydrophobicContact CD2-CD1 3.72Å; L56-I62 HydrophobicContact CD2-CG1 4.11Å; L56-I62 HydrophobicContact CG-CD1 4.29Å; L56-I62 HydrophobicContact CG-CG1 4.2Å; L56-I62 HydrophobicContact CG-CG2 4.15Å
63	G	94.5	Very high	94	Very high	37 Å²	37	64.1 Å²	64.1	38%	0.381	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67	62.4	177.8	0	0	0	0	0	110.9	S53 M65	S53-G63 WeakPolarHBondContact CB-O 3.23Å; S53-G63 PolarHBondContact N-O 3.11Å; S53-G63 WeakPolarHBondContact OG-CA 2.94Å; S53-G63 PolarHBondContact OG-O 3.46Å; G63-M65 PolarHBondContact O-N 2.74Å
64	L	95.2	Very high	94	Very high	39 Å²	39	61.2 Å²	61.2	20%	0.204	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	121.3	175.3	-178.4	73.1	0	0	0	110.3	F52 E67 I86 Y91	F52-L64 HydrophobicContact CD1-CB 4.12Å; F52-L64 HydrophobicContact CD1-CD1 4.15Å; F52-L64 HydrophobicContact CE1-CB 4Å; F52-L64 HydrophobicContact CE1-CD1 3.65Å; F52-L64 HydrophobicContact CE1-CG 4.45Å; F52-L64 HydrophobicContact CZ-CD1 3.92Å; L64-E67 HydrophobicContact CD2-CG 3.84Å; L64-I86 HydrophobicContact CD1-CD1 4.02Å; L64-I86 HydrophobicContact CD2-CD1 3.8Å; L64-I86 HydrophobicContact CG-CD1 4.43Å; L64-Y91 HydrophobicContact CB-CE2 4.02Å; L64-Y91 HydrophobicContact CD2-CD2 3.98Å; L64-Y91 HydrophobicContact CD2-CE2 3.87Å
65	M	93.8	Very high	94.1	Very high	70 Å²	70	56.6 Å²	56.6	35%	0.345	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-42.5	176.5	-64.5	-170.4	-71.1	0	0	111.5	C51 F52 G63 R77	C51-M65 HydrophobicContact CB-CE 4.47Å; C51-M65 PolarHBondContact O-N 3.13Å; C51-M65 WeakPolarHBondContact SG-CE 3.31Å; F52-M65 WeakPolarHBondContact O-CE 3Å; G63-M65 PolarHBondContact O-N 2.74Å; M65-R77 HydrophobicContact CE-CB 4.32Å
66	E	93.9	Very high	94.1	Very high	81 Å²	81	59.9 Å²	59.9	38%	0.379	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	131.9	-176.6	-157.9	81.2	-124.9	0	0	109.7	S50 C51 I69 R77	S50-E66 WeakPolarHBondContact CA-O 3.31Å; C51-E66 PolarHBondContact N-O 3.4Å; C51-E66 PolarHBondContact O-N 2.79Å; E66-I69 HydrophobicContact CB-CB 4.12Å; E66-I69 HydrophobicContact CB-CD1 4.03Å; E66-I69 HydrophobicContact CB-CG2 4.12Å; E66-I69 HydrophobicContact CG-CB 3.98Å; E66-I69 HydrophobicContact CG-CD1 4.19Å; E66-I69 HydrophobicContact CG-CG2 4.49Å; E66-R77 IonicContact OE2-CZ 2.85Å; E66-R77 IonicContact OE2-NH1 2.81Å; E66-R77 PolarHBondContact OE2-NH1 3.4Å; E66-R77 IonicContact OE2-NH2 3.7Å
67	E	88.8	Confident	94.1	Very high	81 Å²	81	62.9 Å²	62.9	38%	0.379	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-32.1	178.6	-75.8	-176.4	-157.9	0	0	112.8	G49 S50 L64 K176	G49-E67 CarbonylContact C-O 3.57Å; G49-E67 CarbonylContact O-C 3.53Å; S50-E67 PolarHBondContact OG-O 3.11Å; L64-E67 HydrophobicContact CD2-CG 3.84Å; E67-K176 IonicContact OE2-NZ 3.53Å; E67-K176 PolarHBondContact OE2-NZ 2.81Å
68	S	90.7	Very high	94.2	Very high	61 Å²	61	57 Å²	57	43%	0.427	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	94.2	-169.2	-54.9	0	0	0	0	111.2	G49 Q85	G49-S68 CarbonylContact O-C 3.57Å; G49-S68 WeakPolarHBondContact O-CA 3Å; S68-Q85 PolarHBondContact OG-NE2 3.46Å
69	I	93.3	Very high	94.5	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.062	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.6	-173.2	-168.3	165.6	0	0	0	110.7	G49 C51 E66 E73 C74	G49-I69 PolarHBondContact N-O 3.32Å; G49-I69 PolarHBondContact O-N 2.84Å; C51-I69 HydrophobicContact CB-CD1 4.48Å; C51-I69 HydrophobicContact CB-CG2 3.48Å; C51-I69 VanDerWaalsContact CB-CG2 3.48Å; E66-I69 HydrophobicContact CB-CB 4.12Å; E66-I69 HydrophobicContact CB-CD1 4.03Å; E66-I69 HydrophobicContact CB-CG2 4.12Å; E66-I69 HydrophobicContact CG-CB 3.98Å; E66-I69 HydrophobicContact CG-CD1 4.19Å; E66-I69 HydrophobicContact CG-CG2 4.49Å; I69-E73 HydrophobicContact CD1-CB 4.02Å; I69-E73 HydrophobicContact CD1-CG 3.8Å; I69-E73 HydrophobicContact CG1-CB 3.68Å; I69-E73 HydrophobicContact CG1-CG 3.88Å; I69-C74 HydrophobicContact CG2-CB 4.39Å
70	S	93.8	Very high	94.7	Very high	38 Å²	38	53.4 Å²	53.4	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	155	172.7	69.1	0	0	0	0	110.8	L72 E73 C74	S70-L72 VanDerWaalsContact C-N 3.25Å; S70-L72 PolarHBondContact O-N 2.87Å; S70-E73 PolarHBondContact O-N 2.98Å; S70-E73 WeakPolarHBondContact OG-CB 3.44Å; S70-E73 PolarHBondContact OG-N 3.31Å; S70-C74 PolarHBondContact O-N 3.05Å
71	Q	93.2	Very high	94.8	Very high	58 Å²	58	51.8 Å²	51.8	27%	0.271	28%	0.279	S	S	.	.	H	α-helix	trans	-55.7	-42.7	175.3	-176.3	172.3	-1.1	0	0	111.9	E73 C74 C75 Y81 A108	Q71-E73 VanDerWaalsContact C-N 3.34Å; Q71-E73 PolarHBondContact O-N 2.02Å; Q71-C74 PolarHBondContact O-N 3.06Å; Q71-C75 WeakPolarHBondContact O-CB 3.39Å; Q71-C75 PolarHBondContact O-N 3.03Å; Q71-Y81 HydrophobicContact CB-CD1 3.68Å; Q71-Y81 HydrophobicContact CB-CD2 4.2Å; Q71-Y81 HydrophobicContact CB-CE1 3.68Å; Q71-Y81 HydrophobicContact CB-CE2 4.19Å; Q71-Y81 HydrophobicContact CB-CG 3.94Å; Q71-Y81 HydrophobicContact CG-CD1 3.65Å; Q71-Y81 HydrophobicContact CG-CE1 4.13Å; Q71-Y81 HydrophobicContact CG-CG 3.91Å; Q71-A108 HydrophobicContact CG-CB 4.45Å; Q71-A108 WeakPolarHBondContact CG-O 3.43Å; Q71-A108 PolarHBondContact NE2-O 2.82Å
72	L	93.5	Very high	94.7	Very high	118 Å²	118	51.8 Å²	51.8	62%	0.618	28%	0.279	S	S	*	.	H	α-helix	trans	-61.4	-41.8	179.3	-178.3	63.3	0	0	0	112.1	S70 C75 K76	S70-L72 VanDerWaalsContact C-N 3.25Å; S70-L72 PolarHBondContact O-N 2.87Å; L72-C75 WeakPolarHBondContact O-CB 3.03Å; L72-C75 PolarHBondContact O-N 2.79Å; L72-K76 PolarHBondContact O-N 3.24Å; L72-K76 VanDerWaalsContact O-N 3.11Å
73	E	95.4	Very high	94.4	Very high	63 Å²	63	49.9 Å²	49.9	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-73.8	-34.8	179.9	-168.9	58.8	-149.6	0	0	111.6	I69 S70 Q71 C75 K76 R77	I69-E73 HydrophobicContact CD1-CB 4.02Å; I69-E73 HydrophobicContact CD1-CG 3.8Å; I69-E73 HydrophobicContact CG1-CB 3.68Å; I69-E73 HydrophobicContact CG1-CG 3.88Å; S70-E73 PolarHBondContact O-N 2.98Å; S70-E73 WeakPolarHBondContact OG-CB 3.44Å; S70-E73 PolarHBondContact OG-N 3.31Å; Q71-E73 VanDerWaalsContact C-N 3.34Å; Q71-E73 PolarHBondContact O-N 2.02Å; E73-C75 VanDerWaalsContact C-N 3.3Å; E73-C75 PolarHBondContact O-N 3.36Å; E73-K76 PolarHBondContact O-N 3.3Å; E73-K76 WeakPolarHBondContact OE2-CD 3.26Å; E73-K76 IonicContact OE2-NZ 3.64Å; E73-K76 PolarHBondContact OE2-NZ 2.75Å; E73-R77 PolarHBondContact O-N 3.05Å
74	C	96.8	Very high	94.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-39.4	169.2	-175	0	0	0	0	112	C51 I69 S70 Q71 R77 G78 G79 Y81 A108	C51-C74 HydrophobicContact CB-CB 3.65Å; C51-C74 WeakPolarHBondContact CB-SG 3.35Å; C51-C74 WeakPolarHBondContact SG-CA 3.45Å; C51-C74 WeakPolarHBondContact SG-CB 3.22Å; C51-C74 CovalentContact SG-SG 2.03Å; C51-C74 PolarHBondContact SG-SG 3.25Å; I69-C74 HydrophobicContact CG2-CB 4.39Å; S70-C74 PolarHBondContact O-N 3.05Å; Q71-C74 PolarHBondContact O-N 3.06Å; C74-R77 PolarHBondContact O-N 2.71Å; C74-G78 PolarHBondContact O-N 2.71Å; C74-G79 PolarHBondContact O-N 2.98Å; C74-Y81 HydrophobicContact CB-CD2 4.04Å; C74-A108 HydrophobicContact CB-CB 4Å
75	C	96.4	Very high	93.9	Very high	28 Å²	28	52 Å²	52	19%	0.189	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-45	176	162.9	0	0	0	0	112.7	Q71 L72 E73 R77 G78 A108 C109	Q71-C75 WeakPolarHBondContact O-CB 3.39Å; Q71-C75 PolarHBondContact O-N 3.03Å; L72-C75 WeakPolarHBondContact O-CB 3.03Å; L72-C75 PolarHBondContact O-N 2.79Å; E73-C75 VanDerWaalsContact C-N 3.3Å; E73-C75 PolarHBondContact O-N 3.36Å; C75-R77 PolarHBondContact O-N 3.37Å; C75-R77 VanDerWaalsContact O-N 3.15Å; C75-G78 WeakPolarHBondContact O-CA 3.37Å; C75-G78 PolarHBondContact O-N 3.32Å; C75-A108 HydrophobicContact CB-CB 3.81Å; C75-C109 VanDerWaalsContact C-SG 3.56Å; C75-C109 WeakPolarHBondContact CA-SG 3.25Å; C75-C109 HydrophobicContact CB-CB 4.01Å; C75-C109 WeakPolarHBondContact CB-SG 3.25Å; C75-C109 PolarHBondContact O-SG 3.34Å; C75-C109 WeakPolarHBondContact SG-CA 3.41Å; C75-C109 WeakPolarHBondContact SG-CB 3.46Å; C75-C109 CovalentContact SG-SG 2.02Å; C75-C109 PolarHBondContact SG-SG 3.42Å
76	K	96	Very high	93.6	Very high	144 Å²	144	49.1 Å²	49.1	63%	0.626	25%	0.253	S	S	*	.	H	α-helix	trans	-58.1	-29.8	176	-68.4	-179.7	-162.8	158.7	0	113	L72 E73 G78	L72-K76 PolarHBondContact O-N 3.24Å; L72-K76 VanDerWaalsContact O-N 3.11Å; E73-K76 PolarHBondContact O-N 3.3Å; E73-K76 WeakPolarHBondContact OE2-CD 3.26Å; E73-K76 IonicContact OE2-NZ 3.64Å; E73-K76 PolarHBondContact OE2-NZ 2.75Å; K76-G78 VanDerWaalsContact C-N 3.27Å
77	R	96.1	Very high	93.2	Very high	115 Å²	115	47 Å²	47	43%	0.434	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.1	176.1	-60.4	-179	-173.6	-172.5	3.8	113.1	M65 E66 E73 C74 C75 G79	M65-R77 HydrophobicContact CE-CB 4.32Å; E66-R77 IonicContact OE2-CZ 2.85Å; E66-R77 IonicContact OE2-NH1 2.81Å; E66-R77 PolarHBondContact OE2-NH1 3.4Å; E66-R77 IonicContact OE2-NH2 3.7Å; E73-R77 PolarHBondContact O-N 3.05Å; C74-R77 PolarHBondContact O-N 2.71Å; C75-R77 PolarHBondContact O-N 3.37Å; C75-R77 VanDerWaalsContact O-N 3.15Å; R77-G79 PolarHBondContact O-N 2.76Å
78	G	95.3	Very high	93	Very high	56 Å²	56	50.1 Å²	50.1	58%	0.577	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	22.6	-176	0	0	0	0	0	113.6	C74 C75 K76	C74-G78 PolarHBondContact O-N 2.71Å; C75-G78 WeakPolarHBondContact O-CA 3.37Å; C75-G78 PolarHBondContact O-N 3.32Å; K76-G78 VanDerWaalsContact C-N 3.27Å
79	G	96.8	Very high	92.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	27%	0.267	C	S	.	.			trans	-87.5	176	-172.3	0	0	0	0	0	115.1	F52 C74 R77 A108	F52-G79 CarbonylContact O-C 3.52Å; F52-G79 VanDerWaalsContact O-CA 3.28Å; F52-G79 WeakPolarHBondContact O-CA 3.03Å; C74-G79 PolarHBondContact O-N 2.98Å; R77-G79 PolarHBondContact O-N 2.76Å; G79-A108 WeakPolarHBondContact O-CB 3.39Å; G79-A108 PolarHBondContact O-N 3.11Å; G79-A108 VanDerWaalsContact O-N 3.11Å
80	F	97.6	Very high	92.4	Very high	36 Å²	36	52.8 Å²	52.8	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.5	171.6	-61	-93.3	0	0	0	109.6	C51 F52 R55 C61 C105 V106 Q107	C51-F80 WeakPolarHBondContact CA-O 3.4Å; F52-F80 HydrophobicContact CB-CB 4.39Å; F52-F80 PolarHBondContact N-O 2.85Å; F52-F80 PolarHBondContact O-N 3.47Å; R55-F80 HydrophobicContact CB-CD1 3.65Å; R55-F80 HydrophobicContact CB-CD2 4.17Å; R55-F80 HydrophobicContact CB-CE1 3.5Å; R55-F80 HydrophobicContact CB-CE2 4.05Å; R55-F80 HydrophobicContact CB-CG 3.98Å; R55-F80 HydrophobicContact CB-CZ 3.72Å; R55-F80 HydrophobicContact CG-CD1 4.43Å; R55-F80 HydrophobicContact CG-CE1 4.45Å; C61-F80 HydrophobicContact CB-CB 4.45Å; C61-F80 WeakPolarHBondContact SG-CB 3.4Å; F80-C105 HydrophobicContact CB-CB 4.38Å; F80-V106 CarbonylContact C-O 3.45Å; F80-V106 VanDerWaalsContact CA-O 3.26Å; F80-V106 WeakPolarHBondContact CA-O 3.37Å; F80-Q107 HydrophobicContact CD1-CB 4.26Å; F80-Q107 HydrophobicContact CE1-CB 4.2Å
81	Y	96.5	Very high	92.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.9	-170.8	-179.5	-108	0	0	0	111.9	T47 G49 Q71 C74 N83 C105 V106 L113	T47-Y81 PolarHBondContact O-OH 3.23Å; G49-Y81 WeakPolarHBondContact CA-OH 3.28Å; G49-Y81 PolarHBondContact N-OH 3.29Å; Q71-Y81 HydrophobicContact CB-CD1 3.68Å; Q71-Y81 HydrophobicContact CB-CD2 4.2Å; Q71-Y81 HydrophobicContact CB-CE1 3.68Å; Q71-Y81 HydrophobicContact CB-CE2 4.19Å; Q71-Y81 HydrophobicContact CB-CG 3.94Å; Q71-Y81 HydrophobicContact CG-CD1 3.65Å; Q71-Y81 HydrophobicContact CG-CE1 4.13Å; Q71-Y81 HydrophobicContact CG-CG 3.91Å; C74-Y81 HydrophobicContact CB-CD2 4.04Å; Y81-N83 HydrophobicContact CE1-CB 4.02Å; Y81-C105 CarbonylContact O-C 3.47Å; Y81-C105 VanDerWaalsContact O-CA 3.31Å; Y81-C105 WeakPolarHBondContact O-CA 2.86Å; Y81-V106 PolarHBondContact N-O 3.37Å; Y81-V106 PolarHBondContact O-N 3.48Å; Y81-L113 HydrophobicContact CD1-CD2 4Å; Y81-L113 HydrophobicContact CE1-CD1 4.19Å; Y81-L113 HydrophobicContact CE1-CD2 4.2Å
82	L	94.6	Very high	92	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.9	170.8	175.2	68.3	0	0	0	108.6	G49 S50 F52 R84 I86 T102 N104	G49-L82 CarbonylContact C-O 3.32Å; G49-L82 WeakPolarHBondContact CA-O 3.46Å; S50-L82 PolarHBondContact N-O 3.01Å; S50-L82 PolarHBondContact O-N 3.5Å; F52-L82 HydrophobicContact CE2-CB 3.92Å; F52-L82 HydrophobicContact CE2-CD2 4.19Å; L82-R84 HydrophobicContact CD1-CG 4.14Å; L82-R84 HydrophobicContact CD2-CG 3.81Å; L82-R84 HydrophobicContact CG-CG 3.75Å; L82-R84 PolarHBondContact O-N 2.75Å; L82-I86 HydrophobicContact CD2-CG2 3.73Å; L82-T102 HydrophobicContact CD2-CG2 3.61Å; L82-N104 HydrophobicContact CD1-CB 4.08Å
83	N	91	Very high	91.7	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	26%	0.257	C	S	.	.	S	Bend	trans	-74.9	31.8	-177.8	69.4	-36.8	0	0	0	114.9	T47 Y81 L113 Y120 P135	T47-N83 HydrophobicContact CG2-CB 4.13Å; Y81-N83 HydrophobicContact CE1-CB 4.02Å; N83-L113 HydrophobicContact CB-CD1 3.91Å; N83-L113 HydrophobicContact CB-CD2 3.75Å; N83-L113 HydrophobicContact CB-CG 4.48Å; N83-Y120 PolarHBondContact OD1-OH 3.09Å; N83-P135 PolarHBondContact ND2-O 2.91Å; N83-P135 VanDerWaalsContact ND2-O 3.09Å
84	R	89.6	Confident	91.5	Very high	28 Å²	28	51 Å²	51	11%	0.106	25%	0.253	C	S	.	.	S	Bend	trans	-156.2	158.7	170.4	61.9	175	-177.9	83	-1.6	109.6	S50 L82 E90	S50-R84 PolarHBondContact N-O 3.42Å; S50-R84 PolarHBondContact OG-O 3.22Å; L82-R84 HydrophobicContact CD1-CG 4.14Å; L82-R84 HydrophobicContact CD2-CG 3.81Å; L82-R84 HydrophobicContact CG-CG 3.75Å; L82-R84 PolarHBondContact O-N 2.75Å; R84-E90 IonicContact CZ-OE1 3.29Å; R84-E90 IonicContact CZ-OE2 3.24Å; R84-E90 IonicContact NH1-OE1 2.85Å; R84-E90 PolarHBondContact NH1-OE1 3.43Å; R84-E90 IonicContact NH1-OE2 2.88Å; R84-E90 PolarHBondContact NH1-OE2 2.99Å; R84-E90 IonicContact NH2-OE1 2.8Å; R84-E90 PolarHBondContact NH2-OE1 3.31Å; R84-E90 IonicContact NH2-OE2 3.88Å
85	Q	88	Confident	91.3	Very high	93 Å²	93	52 Å²	52	44%	0.435	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-74.1	139.1	167.4	-63.2	173.5	-37.1	0	0	109.5	S50 S68	S50-Q85 WeakPolarHBondContact OG-CA 3.02Å; S68-Q85 PolarHBondContact OG-NE2 3.46Å
86	I	88.8	Confident	91	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.046	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-74.6	151.4	169.9	62.2	171.2	0	0	0	111	S50 F52 L64 L82 E90 Y91 T102	S50-I86 PolarHBondContact OG-N 2.91Å; F52-I86 HydrophobicContact CE1-CD1 4.47Å; F52-I86 HydrophobicContact CZ-CD1 4.42Å; F52-I86 HydrophobicContact CZ-CG2 3.83Å; L64-I86 HydrophobicContact CD1-CD1 4.02Å; L64-I86 HydrophobicContact CD2-CD1 3.8Å; L64-I86 HydrophobicContact CG-CD1 4.43Å; L82-I86 HydrophobicContact CD2-CG2 3.73Å; I86-E90 WeakPolarHBondContact CA-OE2 3.18Å; I86-Y91 HydrophobicContact CD1-CD2 3.69Å; I86-Y91 HydrophobicContact CD1-CG 4.2Å; I86-T102 HydrophobicContact CG2-CG2 4.15Å
87	T	84.6	Confident	90.8	Very high	37 Å²	37	53.7 Å²	53.7	23%	0.227	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-83.4	156.7	175.5	70	0	0	0	0	110.8	Q89 E90 Y91 P123	T87-Q89 PolarHBondContact O-N 2.85Å; T87-E90 PolarHBondContact N-OE2 3Å; T87-E90 PolarHBondContact O-N 3.02Å; T87-E90 WeakPolarHBondContact OG1-CB 3.41Å; T87-E90 PolarHBondContact OG1-N 3.19Å; T87-Y91 PolarHBondContact O-N 3.27Å; T87-P123 HydrophobicContact CG2-CG 4.45Å
88	Q	84.2	Confident	90.5	Very high	146 Å²	146	55.5 Å²	55.5	68%	0.682	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-36.6	173.8	-72.5	-175.5	-38.9	0	0	111.8	Y91 L92	Q88-Y91 PolarHBondContact O-N 2.87Å; Q88-L92 WeakPolarHBondContact O-CB 3.41Å; Q88-L92 PolarHBondContact O-N 3.47Å
89	Q	83.4	Confident	90.2	Very high	120 Å²	120	59.6 Å²	59.6	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-62.3	-49.3	175.8	-172.1	65.7	20.2	0	0	111	T87 Y91 L92 T93	T87-Q89 PolarHBondContact O-N 2.85Å; Q89-Y91 PolarHBondContact O-N 2.93Å; Q89-L92 PolarHBondContact O-N 3.24Å; Q89-T93 HydrophobicContact CG-CG2 4.47Å; Q89-T93 WeakPolarHBondContact O-CG2 3.48Å; Q89-T93 PolarHBondContact O-N 3.14Å; Q89-T93 PolarHBondContact O-OG1 2.05Å
90	E	87.8	Confident	89.9	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-41.8	177.5	-179.4	178.9	-162.3	0	0	112.1	R84 I86 T87 T93 D94 T102	R84-E90 IonicContact CZ-OE1 3.29Å; R84-E90 IonicContact CZ-OE2 3.24Å; R84-E90 IonicContact NH1-OE1 2.85Å; R84-E90 PolarHBondContact NH1-OE1 3.43Å; R84-E90 IonicContact NH1-OE2 2.88Å; R84-E90 PolarHBondContact NH1-OE2 2.99Å; R84-E90 IonicContact NH2-OE1 2.8Å; R84-E90 PolarHBondContact NH2-OE1 3.31Å; R84-E90 IonicContact NH2-OE2 3.88Å; I86-E90 WeakPolarHBondContact CA-OE2 3.18Å; T87-E90 PolarHBondContact N-OE2 3Å; T87-E90 PolarHBondContact O-N 3.02Å; T87-E90 WeakPolarHBondContact OG1-CB 3.41Å; T87-E90 PolarHBondContact OG1-N 3.19Å; E90-T93 PolarHBondContact O-OG1 3.47Å; E90-D94 WeakPolarHBondContact O-CA 3.42Å; E90-D94 VanDerWaalsContact O-CB 3.23Å; E90-D94 WeakPolarHBondContact O-CB 3.44Å; E90-D94 PolarHBondContact O-N 3.18Å; E90-T102 WeakPolarHBondContact OE1-CG2 3.21Å; E90-T102 PolarHBondContact OE1-OG1 3.3Å
91	Y	90.8	Very high	89.7	Confident	89 Å²	89	60.1 Å²	60.1	35%	0.349	29%	0.294	S	S	.	.	I	π-helix	trans	-62	-46.1	175.2	-175.4	-107.2	0	0	0	111.5	L64 I86 T87 Q88 Q89 H95 L96	L64-Y91 HydrophobicContact CB-CE2 4.02Å; L64-Y91 HydrophobicContact CD2-CD2 3.98Å; L64-Y91 HydrophobicContact CD2-CE2 3.87Å; I86-Y91 HydrophobicContact CD1-CD2 3.69Å; I86-Y91 HydrophobicContact CD1-CG 4.2Å; T87-Y91 PolarHBondContact O-N 3.27Å; Q88-Y91 PolarHBondContact O-N 2.87Å; Q89-Y91 PolarHBondContact O-N 2.93Å; Y91-H95 HydrophobicContact CD2-CB 3.89Å; Y91-H95 AromaticContact CD2-CG 3.96Å; Y91-H95 HydrophobicContact CE2-CB 3.99Å; Y91-H95 WeakPolarHBondContact O-CA 3.06Å; Y91-H95 VanDerWaalsContact O-CB 3.3Å; Y91-H95 WeakPolarHBondContact O-CB 3.29Å; Y91-H95 PolarHBondContact O-N 3.16Å; Y91-H95 VanDerWaalsContact O-N 3.08Å; Y91-L96 HydrophobicContact CD1-CD1 4.06Å; Y91-L96 HydrophobicContact CD1-CG 4.27Å; Y91-L96 HydrophobicContact CE1-CD1 3.78Å; Y91-L96 HydrophobicContact CE1-CD2 4.11Å; Y91-L96 HydrophobicContact CE1-CG 3.95Å; Y91-L96 PolarHBondContact O-N 3.09Å
92	L	88.6	Confident	89.6	Confident	81 Å²	81	60 Å²	60	42%	0.424	29%	0.293	S	S	.	.	I	π-helix	trans	-62.4	-51.6	178.3	-169.6	98.9	0	0	0	111.4	Q88 Q89 L96 L97	Q88-L92 WeakPolarHBondContact O-CB 3.41Å; Q88-L92 PolarHBondContact O-N 3.47Å; Q89-L92 PolarHBondContact O-N 3.24Å; L92-L96 HydrophobicContact CD1-CD1 4.39Å; L92-L96 WeakPolarHBondContact O-CB 3.05Å; L92-L96 PolarHBondContact O-N 2.97Å; L92-L97 HydrophobicContact CD2-CD1 3.93Å; L92-L97 HydrophobicContact CG-CD1 4.15Å; L92-L97 HydrophobicContact CG-CG 4.48Å; L92-L97 WeakPolarHBondContact O-CB 3.42Å; L92-L97 WeakPolarHBondContact O-CG 3.01Å; L92-L97 PolarHBondContact O-N 3.21Å
93	T	88.4	Confident	89.6	Confident	29 Å²	29	61.2 Å²	61.2	18%	0.178	30%	0.301	C	S	.	.	I	π-helix	trans	-70.2	-51	-176	55.5	0	0	0	0	111.5	Q89 E90 F98	Q89-T93 HydrophobicContact CG-CG2 4.47Å; Q89-T93 WeakPolarHBondContact O-CG2 3.48Å; Q89-T93 PolarHBondContact O-N 3.14Å; Q89-T93 PolarHBondContact O-OG1 2.05Å; E90-T93 PolarHBondContact O-OG1 3.47Å; T93-F98 WeakPolarHBondContact O-CB 3.39Å; T93-F98 WeakPolarHBondContact O-CD2 3.38Å; T93-F98 PolarHBondContact O-N 2.78Å
94	D	91	Very high	89.7	Confident	41 Å²	41	62.1 Å²	62.1	22%	0.219	31%	0.306	C	S	.	.	I	π-helix	trans	-92.5	-23.6	-163.6	-55.6	-4.8	0	0	0	112.1	E90 E99 S100 G101	E90-D94 WeakPolarHBondContact O-CA 3.42Å; E90-D94 VanDerWaalsContact O-CB 3.23Å; E90-D94 WeakPolarHBondContact O-CB 3.44Å; E90-D94 PolarHBondContact O-N 3.18Å; D94-E99 CarbonylContact O-C 3.59Å; D94-E99 VanDerWaalsContact O-C 3.26Å; D94-E99 VanDerWaalsContact O-CA 3.27Å; D94-E99 WeakPolarHBondContact O-CA 3.39Å; D94-E99 PolarHBondContact O-N 2.87Å; D94-S100 PolarHBondContact O-N 3.31Å; D94-S100 PolarHBondContact O-OG 3.12Å; D94-G101 PolarHBondContact O-N 3.06Å
95	H	92.2	Very high	89.9	Confident	20 Å²	20	61.1 Å²	61.1	9%	0.093	30%	0.303	C	S	.	.	I	π-helix	trans	-107.3	-32.5	179.9	-62.5	-102.6	0	0	0	113.6	F52 C61 Y91 T102	F52-H95 AromaticContact CD1-CE1 3.95Å; F52-H95 AromaticContact CE1-CE1 3.39Å; F52-H95 WeakPolarHBondContact CE1-CE1 3.35Å; F52-H95 AromaticContact CE1-NE2 3.91Å; C61-H95 PolarHBondContact O-CE1 3.39Å; Y91-H95 HydrophobicContact CD2-CB 3.89Å; Y91-H95 AromaticContact CD2-CG 3.96Å; Y91-H95 HydrophobicContact CE2-CB 3.99Å; Y91-H95 WeakPolarHBondContact O-CA 3.06Å; Y91-H95 VanDerWaalsContact O-CB 3.3Å; Y91-H95 WeakPolarHBondContact O-CB 3.29Å; Y91-H95 PolarHBondContact O-N 3.16Å; Y91-H95 VanDerWaalsContact O-N 3.08Å; H95-T102 PolarHBondContact NE2-OG1 2.59Å
96	L	90.2	Very high	90.3	Very high	93 Å²	93	57.2 Å²	57.2	49%	0.487	29%	0.286	S	S	.	.	I	π-helix	trans	-100.9	-41.8	-177.4	-58.6	-179	0	0	0	113.7	Y91 L92	Y91-L96 HydrophobicContact CD1-CD1 4.06Å; Y91-L96 HydrophobicContact CD1-CG 4.27Å; Y91-L96 HydrophobicContact CE1-CD1 3.78Å; Y91-L96 HydrophobicContact CE1-CD2 4.11Å; Y91-L96 HydrophobicContact CE1-CG 3.95Å; Y91-L96 PolarHBondContact O-N 3.09Å; L92-L96 HydrophobicContact CD1-CD1 4.39Å; L92-L96 WeakPolarHBondContact O-CB 3.05Å; L92-L96 PolarHBondContact O-N 2.97Å
97	L	90.5	Very high	90.6	Very high	114 Å²	114	60.4 Å²	60.4	60%	0.597	30%	0.3	S	S	*	.	I	π-helix	trans	-89.5	-49.9	-175.3	-67.5	173.3	0	0	0	112.7	L92	L92-L97 HydrophobicContact CD2-CD1 3.93Å; L92-L97 HydrophobicContact CG-CD1 4.15Å; L92-L97 HydrophobicContact CG-CG 4.48Å; L92-L97 WeakPolarHBondContact O-CB 3.42Å; L92-L97 WeakPolarHBondContact O-CG 3.01Å; L92-L97 PolarHBondContact O-N 3.21Å
98	F	90.9	Very high	91.1	Very high	153 Å²	153	58.9 Å²	58.9	67%	0.671	29%	0.291	S	S	*	.	S	Bend	trans	-103	-13.8	-176.2	-62.7	-63.5	0	0	0	113.8	T93 S100	T93-F98 WeakPolarHBondContact O-CB 3.39Å; T93-F98 WeakPolarHBondContact O-CD2 3.38Å; T93-F98 PolarHBondContact O-N 2.78Å; F98-S100 PolarHBondContact O-N 2.96Å
99	E	88.9	Confident	91.6	Very high	142 Å²	142	54.9 Å²	54.9	66%	0.664	28%	0.279	S	S	*	.			trans	49.6	26.1	-178.7	-56.8	-174.1	173.8	0	0	114.1	D94 G101	D94-E99 CarbonylContact O-C 3.59Å; D94-E99 VanDerWaalsContact O-C 3.26Å; D94-E99 VanDerWaalsContact O-CA 3.27Å; D94-E99 WeakPolarHBondContact O-CA 3.39Å; D94-E99 PolarHBondContact O-N 2.87Å; E99-G101 VanDerWaalsContact C-N 3.33Å
100	S	91.2	Very high	92	Very high	47 Å²	47	55 Å²	55	33%	0.329	28%	0.284	S	S	.	.			trans	-76.2	-22.6	-179.2	57.4	0	0	0	0	112.7	N60 D94 F98	N60-S100 WeakPolarHBondContact CB-O 3.01Å; N60-S100 PolarHBondContact ND2-O 3.19Å; D94-S100 PolarHBondContact O-N 3.31Å; D94-S100 PolarHBondContact O-OG 3.12Å; F98-S100 PolarHBondContact O-N 2.96Å
101	G	93.2	Very high	92.3	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.01	30%	0.296	C	S	.	.			trans	72.6	173.9	-176.7	0	0	0	0	0	114.2	C61 D94 E99	C61-G101 CarbonylContact O-C 3.59Å; C61-G101 WeakPolarHBondContact O-CA 3.46Å; D94-G101 PolarHBondContact O-N 3.06Å; E99-G101 VanDerWaalsContact C-N 3.33Å
102	T	94.1	Very high	92.2	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-98.2	131.8	-176.4	-65.2	0	0	0	0	112	N60 C61 L82 I86 E90 H95	N60-T102 CarbonylContact C-O 3.59Å; N60-T102 WeakPolarHBondContact CA-O 3.47Å; C61-T102 PolarHBondContact N-O 3.22Å; C61-T102 PolarHBondContact O-N 2.7Å; L82-T102 HydrophobicContact CD2-CG2 3.61Å; I86-T102 HydrophobicContact CG2-CG2 4.15Å; E90-T102 WeakPolarHBondContact OE1-CG2 3.21Å; E90-T102 PolarHBondContact OE1-OG1 3.3Å; H95-T102 PolarHBondContact NE2-OG1 2.59Å
103	P	93.9	Very high	92.1	Very high	25 Å²	25	59.8 Å²	59.8	16%	0.162	31%	0.308	C	S	.	.	S	Bend	trans	-76.8	178.2	177.7	31.7	-37.5	0	0	0	113.6	C105 V121	P103-C105 PolarHBondContact O-N 3.42Å; P103-V121 HydrophobicContact CB-CB 4.41Å; P103-V121 HydrophobicContact CG-CB 3.73Å; P103-V121 HydrophobicContact CG-CG1 3.98Å; P103-V121 HydrophobicContact CG-CG2 4.31Å
104	N	93.7	Very high	92	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.144	31%	0.312	C	S	.	.	S	Bend	trans	66.7	6.3	177.4	-36.4	-65.8	0	0	0	116.2	L82 Y120 V121	L82-N104 HydrophobicContact CD1-CB 4.08Å; N104-Y120 HydrophobicContact CB-CD2 4.17Å; N104-Y120 HydrophobicContact CB-CE2 3.91Å; N104-Y120 WeakPolarHBondContact OD1-CA 3.37Å; N104-V121 PolarHBondContact ND2-N 1.98Å; N104-V121 PolarHBondContact ND2-O 3.03Å; N104-V121 PolarHBondContact OD1-N 2.75Å
105	C	94.4	Very high	91.9	Very high	7 Å²	7	62.7 Å²	62.7	5%	0.047	33%	0.332	C	S	.	.			trans	-73.5	142.5	176.1	59.2	0	0	0	0	111.4	R55 G59 C61 F80 Y81 P103	R55-C105 PolarHBondContact NH1-O 2.77Å; G59-C105 PolarHBondContact O-SG 3.38Å; C61-C105 HydrophobicContact CB-CB 3.68Å; C61-C105 WeakPolarHBondContact CB-SG 3.4Å; C61-C105 PolarHBondContact N-SG 2.88Å; C61-C105 WeakPolarHBondContact SG-CB 2.87Å; C61-C105 CovalentContact SG-SG 2Å; C61-C105 PolarHBondContact SG-SG 3.39Å; F80-C105 HydrophobicContact CB-CB 4.38Å; Y81-C105 CarbonylContact O-C 3.47Å; Y81-C105 VanDerWaalsContact O-CA 3.31Å; Y81-C105 WeakPolarHBondContact O-CA 2.86Å; P103-C105 PolarHBondContact O-N 3.42Å
106	V	94.7	Very high	91.9	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.2	179	-59	0	0	0	0	110	F80 Y81 A108 E111 L113	F80-V106 CarbonylContact C-O 3.45Å; F80-V106 VanDerWaalsContact CA-O 3.26Å; F80-V106 WeakPolarHBondContact CA-O 3.37Å; Y81-V106 PolarHBondContact N-O 3.37Å; Y81-V106 PolarHBondContact O-N 3.48Å; V106-A108 PolarHBondContact O-N 3.04Å; V106-A108 VanDerWaalsContact O-N 3.13Å; V106-E111 WeakPolarHBondContact CA-OE2 3.19Å; V106-E111 HydrophobicContact CB-CB 3.82Å; V106-L113 HydrophobicContact CG1-CD2 4.47Å; V106-L113 HydrophobicContact CG2-CD2 3.74Å; V106-L113 HydrophobicContact CG2-CG 4.35Å
107	Q	96	Very high	92.1	Very high	76 Å²	76	62.5 Å²	62.5	36%	0.355	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	116.8	168.9	-175.3	179.9	-5.2	0	0	109	F80 C109 N110 E111	F80-Q107 HydrophobicContact CD1-CB 4.26Å; F80-Q107 HydrophobicContact CE1-CB 4.2Å; Q107-C109 PolarHBondContact O-N 2.8Å; Q107-N110 PolarHBondContact O-N 2.9Å; Q107-E111 HydrophobicContact CB-CB 4.19Å; Q107-E111 HydrophobicContact CB-CG 3.86Å; Q107-E111 PolarHBondContact N-OE2 2.97Å; Q107-E111 PolarHBondContact O-N 3.33Å
108	A	95.3	Very high	92.2	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.041	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.7	-161.1	0	0	0	0	0	114.8	Q71 C74 C75 G79 V106	Q71-A108 HydrophobicContact CG-CB 4.45Å; Q71-A108 WeakPolarHBondContact CG-O 3.43Å; Q71-A108 PolarHBondContact NE2-O 2.82Å; C74-A108 HydrophobicContact CB-CB 4Å; C75-A108 HydrophobicContact CB-CB 3.81Å; G79-A108 WeakPolarHBondContact O-CB 3.39Å; G79-A108 PolarHBondContact O-N 3.11Å; G79-A108 VanDerWaalsContact O-N 3.11Å; V106-A108 PolarHBondContact O-N 3.04Å; V106-A108 VanDerWaalsContact O-N 3.13Å
109	C	94.3	Very high	92.1	Very high	62 Å²	62	62.5 Å²	62.5	42%	0.419	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-35.9	-177.6	-56.8	0	0	0	0	114.8	C75 Q107	C75-C109 VanDerWaalsContact C-SG 3.56Å; C75-C109 WeakPolarHBondContact CA-SG 3.25Å; C75-C109 HydrophobicContact CB-CB 4.01Å; C75-C109 WeakPolarHBondContact CB-SG 3.25Å; C75-C109 PolarHBondContact O-SG 3.34Å; C75-C109 WeakPolarHBondContact SG-CA 3.41Å; C75-C109 WeakPolarHBondContact SG-CB 3.46Å; C75-C109 CovalentContact SG-SG 2.02Å; C75-C109 PolarHBondContact SG-SG 3.42Å; Q107-C109 PolarHBondContact O-N 2.8Å
110	N	92.5	Very high	92.2	Very high	124 Å²	124	56.4 Å²	56.4	66%	0.663	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-14.9	-158.3	-61.3	-8.7	0	0	0	113.1	Q107	Q107-N110 PolarHBondContact O-N 2.9Å
111	E	93.3	Very high	92.2	Very high	63 Å²	63	57.9 Å²	57.9	29%	0.294	33%	0.33	S	S	.	.	S	Bend	trans	-107.8	133.1	179.9	-72	177.2	-174.1	0	0	110.1	R55 V106 Q107	R55-E111 IonicContact CZ-OE1 3.52Å; R55-E111 IonicContact CZ-OE2 3.58Å; R55-E111 IonicContact NH1-OE1 3.39Å; R55-E111 PolarHBondContact NH1-OE1 2.92Å; R55-E111 IonicContact NH1-OE2 2.7Å; R55-E111 PolarHBondContact NH1-OE2 2.81Å; R55-E111 IonicContact NH2-OE1 2.74Å; R55-E111 PolarHBondContact NH2-OE1 2.82Å; R55-E111 IonicContact NH2-OE2 3.57Å; V106-E111 WeakPolarHBondContact CA-OE2 3.19Å; V106-E111 HydrophobicContact CB-CB 3.82Å; Q107-E111 HydrophobicContact CB-CB 4.19Å; Q107-E111 HydrophobicContact CB-CG 3.86Å; Q107-E111 PolarHBondContact N-OE2 2.97Å; Q107-E111 PolarHBondContact O-N 3.33Å
112	E	88.2	Confident	92.1	Very high	181 Å²	181	59 Å²	59	85%	0.846	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-74.2	144.6	175.7	-64.2	-175.6	173.2	0	0	110.6
113	L	87.5	Confident	91.6	Very high	35 Å²	35	59.9 Å²	59.9	18%	0.183	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.9	150.2	172.4	-75.1	169.5	0	0	0	110.7	Y81 N83 V106 S115	Y81-L113 HydrophobicContact CD1-CD2 4Å; Y81-L113 HydrophobicContact CE1-CD1 4.19Å; Y81-L113 HydrophobicContact CE1-CD2 4.2Å; N83-L113 HydrophobicContact CB-CD1 3.91Å; N83-L113 HydrophobicContact CB-CD2 3.75Å; N83-L113 HydrophobicContact CB-CG 4.48Å; V106-L113 HydrophobicContact CG1-CD2 4.47Å; V106-L113 HydrophobicContact CG2-CD2 3.74Å; V106-L113 HydrophobicContact CG2-CG 4.35Å; L113-S115 PolarHBondContact O-N 2.04Å
114	P	86.2	Confident	90.9	Very high	42 Å²	42	67.4 Å²	67.4	27%	0.273	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-54.1	134.1	175.1	-24.3	34	0	0	0	110.7	Y120 P135	P114-Y120 HydrophobicContact CB-CD2 3.96Å; P114-Y120 HydrophobicContact CB-CE2 4.4Å; P114-Y120 HydrophobicContact CG-CD2 3.98Å; P114-Y120 HydrophobicContact CG-CE2 4.11Å; P114-P135 HydrophobicContact CB-CG 3.97Å; P114-P135 WeakPolarHBondContact O-CD 3.47Å; P114-P135 WeakPolarHBondContact O-CG 3.44Å
115	S	88	Confident	90.3	Very high	90 Å²	90	68.4 Å²	68.4	63%	0.629	39%	0.392	S	S	*	.	S	Bend	trans	-99	0.5	-179.8	57.7	0	0	0	0	113.2	L113 M130	L113-S115 PolarHBondContact O-N 2.04Å; S115-M130 WeakPolarHBondContact O-CE 3.26Å
116	T	92.4	Very high	90	Very high	71 Å²	71	70.6 Å²	70.6	44%	0.436	40%	0.402	S	S	.	.	S	Bend	trans	-142	162.6	179	79.6	0	0	0	0	111.3	K118	T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.27Å; T116-K118 PolarHBondContact OG1-N 3.48Å
117	C	94.3	Very high	89.8	Confident	38 Å²	38	74.9 Å²	74.9	26%	0.257	42%	0.418	S	S	.	.	S	Bend	trans	-79.9	-3.3	172.7	-77.7	0	0	0	0	114.5	G119 Y120 C128 R129	C117-G119 PolarHBondContact O-N 3.39Å; C117-G119 VanDerWaalsContact O-N 3.16Å; C117-Y120 PolarHBondContact O-N 2.81Å; C117-C128 WeakPolarHBondContact CA-SG 3.02Å; C117-C128 HydrophobicContact CB-CB 3.59Å; C117-C128 WeakPolarHBondContact CB-SG 3.27Å; C117-C128 WeakPolarHBondContact SG-CB 2.84Å; C117-C128 CovalentContact SG-SG 2.04Å; C117-C128 PolarHBondContact SG-SG 3.49Å; C117-R129 PolarHBondContact SG-N 3.38Å
118	K	92.4	Very high	89.7	Confident	197 Å²	197	72.6 Å²	72.6	86%	0.857	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	114	-177.7	-173.5	178.8	178.2	-178.2	0	109.2	T116 Y120	T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.27Å; T116-K118 PolarHBondContact OG1-N 3.48Å; K118-Y120 VanDerWaalsContact C-N 3.26Å; K118-Y120 PolarHBondContact O-N 3.32Å
119	G	88.4	Confident	89.5	Confident	69 Å²	69	79.1 Å²	79.1	71%	0.711	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	1.5	-176.1	0	0	0	0	0	114.7	C117 V121	C117-G119 PolarHBondContact O-N 3.39Å; C117-G119 VanDerWaalsContact O-N 3.16Å; G119-V121 PolarHBondContact O-N 2.87Å
120	Y	91.3	Very high	89.3	Confident	14 Å²	14	79.9 Å²	79.9	6%	0.055	43%	0.431	C	S	.	.			trans	-78.7	109.1	178.2	-166.2	-77.4	0	0	0	110.1	N83 N104 P114 C117 K118 C128 P135	N83-Y120 PolarHBondContact OD1-OH 3.09Å; N104-Y120 HydrophobicContact CB-CD2 4.17Å; N104-Y120 HydrophobicContact CB-CE2 3.91Å; N104-Y120 WeakPolarHBondContact OD1-CA 3.37Å; P114-Y120 HydrophobicContact CB-CD2 3.96Å; P114-Y120 HydrophobicContact CB-CE2 4.4Å; P114-Y120 HydrophobicContact CG-CD2 3.98Å; P114-Y120 HydrophobicContact CG-CE2 4.11Å; C117-Y120 PolarHBondContact O-N 2.81Å; K118-Y120 VanDerWaalsContact C-N 3.26Å; K118-Y120 PolarHBondContact O-N 3.32Å; Y120-C128 HydrophobicContact CD1-CB 4.19Å; Y120-P135 HydrophobicContact CD2-CB 3.89Å; Y120-P135 HydrophobicContact CD2-CG 3.8Å; Y120-P135 HydrophobicContact CE2-CB 4.21Å; Y120-P135 HydrophobicContact CE2-CG 3.93Å; Y120-P135 HydrophobicContact CG-CB 4.13Å
121	V	91.7	Very high	89	Confident	79 Å²	79	76 Å²	76	48%	0.479	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-85.1	122.3	-175.3	-178.4	0	0	0	0	110.5	P103 N104 G119	P103-V121 HydrophobicContact CB-CB 4.41Å; P103-V121 HydrophobicContact CG-CB 3.73Å; P103-V121 HydrophobicContact CG-CG1 3.98Å; P103-V121 HydrophobicContact CG-CG2 4.31Å; N104-V121 PolarHBondContact ND2-N 1.98Å; N104-V121 PolarHBondContact ND2-O 3.03Å; N104-V121 PolarHBondContact OD1-N 2.75Å; G119-V121 PolarHBondContact O-N 2.87Å
122	C	90.4	Very high	88.6	Confident	24 Å²	24	79.2 Å²	79.2	16%	0.162	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-98.7	154	173.8	-74.8	0	0	0	0	111.1	H126 C137	C122-H126 HydrophobicContact CB-CB 3.82Å; C122-C137 WeakPolarHBondContact CA-SG 3.47Å; C122-C137 HydrophobicContact CB-CB 3.88Å; C122-C137 WeakPolarHBondContact CB-SG 2.98Å; C122-C137 WeakPolarHBondContact SG-CA 3.36Å; C122-C137 WeakPolarHBondContact SG-CB 3.08Å; C122-C137 CovalentContact SG-SG 2.05Å; C122-C137 PolarHBondContact SG-SG 3.03Å
123	P	84.9	Confident	88.4	Confident	18 Å²	18	77.6 Å²	77.6	12%	0.117	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-61.1	164.2	174.7	27.6	-34.5	0	0	0	110.6	T87 G125 H126	T87-P123 HydrophobicContact CG2-CG 4.45Å; P123-G125 PolarHBondContact O-N 3.35Å; P123-H126 HydrophobicContact CG-CB 4.15Å; P123-H126 WeakPolarHBondContact O-CB 3.34Å; P123-H126 PolarHBondContact O-N 3.44Å
124	E	79.2	Confident	88.4	Confident	184 Å²	184	78.5 Å²	78.5	86%	0.86	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	142.6	179.4	-65.4	-163.9	158.1	0	0	112.1	H126	E124-H126 PolarHBondContact O-N 2.71Å; E124-H126 PolarHBondContact O-ND1 2.87Å
125	G	80.8	Confident	88.6	Confident	48 Å²	48	76.6 Å²	76.6	50%	0.495	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	9.5	-175.8	0	0	0	0	0	114.9	P123 R140	P123-G125 PolarHBondContact O-N 3.35Å; G125-R140 WeakPolarHBondContact O-CA 2.92Å; G125-R140 WeakPolarHBondContact O-CB 3.05Å; G125-R140 PolarHBondContact O-N 3.03Å
126	H	88.1	Confident	88.6	Confident	53 Å²	53	74.7 Å²	74.7	25%	0.245	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.7	176.9	-64.8	69.9	0	0	0	112.2	C122 P123 E124 C137 K138	C122-H126 HydrophobicContact CB-CB 3.82Å; P123-H126 HydrophobicContact CG-CB 4.15Å; P123-H126 WeakPolarHBondContact O-CB 3.34Å; P123-H126 PolarHBondContact O-N 3.44Å; E124-H126 PolarHBondContact O-N 2.71Å; E124-H126 PolarHBondContact O-ND1 2.87Å; H126-C137 HydrophobicContact CB-CB 4.21Å; H126-K138 CarbonylContact C-O 3.59Å; H126-K138 VanDerWaalsContact CA-O 3.25Å; H126-K138 WeakPolarHBondContact CA-O 3.22Å; H126-K138 WeakPolarHBondContact CB-O 3.43Å
127	Y	90.8	Very high	88.5	Confident	100 Å²	100	72.6 Å²	72.6	39%	0.392	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148	175	71.8	-82.3	0	0	0	110.4	R129 K138 C139 R140	Y127-R129 HydrophobicContact CE2-CB 4.08Å; Y127-K138 HydrophobicContact CD1-CB 4.37Å; Y127-K138 VanDerWaalsContact CD1-O 3.25Å; Y127-K138 WeakPolarHBondContact CD1-O 3.41Å; Y127-K138 HydrophobicContact CE1-CB 3.89Å; Y127-K138 HydrophobicContact CE2-CB 4.44Å; Y127-K138 PolarHBondContact N-O 2.88Å; Y127-K138 PolarHBondContact O-N 3.47Å; Y127-C139 WeakPolarHBondContact CE1-O 3.33Å; Y127-R140 HydrophobicContact CD1-CB 4.12Å
128	C	92.8	Very high	88.1	Confident	27 Å²	27	75.3 Å²	75.3	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136	177.4	-175.1	0	0	0	0	111	C117 Y120 P135	C117-C128 WeakPolarHBondContact CA-SG 3.02Å; C117-C128 HydrophobicContact CB-CB 3.59Å; C117-C128 WeakPolarHBondContact CB-SG 3.27Å; C117-C128 WeakPolarHBondContact SG-CB 2.84Å; C117-C128 CovalentContact SG-SG 2.04Å; C117-C128 PolarHBondContact SG-SG 3.49Å; Y120-C128 HydrophobicContact CD1-CB 4.19Å; C128-P135 WeakPolarHBondContact SG-CB 3.4Å
129	R	92.5	Very high	87.7	Confident	143 Å²	143	67.1 Å²	67.1	54%	0.54	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.4	170	-177.5	175.4	175.8	163.7	2.2	110.5	C117 Y127 I131 K136 K138	C117-R129 PolarHBondContact SG-N 3.38Å; Y127-R129 HydrophobicContact CE2-CB 4.08Å; R129-I131 HydrophobicContact CG-CG1 4.36Å; R129-K136 PolarHBondContact N-O 2.86Å; R129-K136 PolarHBondContact O-N 3.43Å; R129-K138 HydrophobicContact CB-CG 4.17Å
130	M	90.3	Very high	87.6	Confident	78 Å²	78	71.7 Å²	71.7	38%	0.384	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	124.5	173.2	-62.2	-53.7	-62.7	0	0	110.9	S115 N133 P135	S115-M130 WeakPolarHBondContact O-CE 3.26Å; M130-N133 VanDerWaalsContact CE-C 3.49Å; M130-N133 VanDerWaalsContact CE-O 3.27Å; M130-N133 WeakPolarHBondContact CE-O 3.48Å; M130-P135 HydrophobicContact SD-CB 3.88Å
131	I	84.8	Confident	87.1	Confident	43 Å²	43	74.2 Å²	74.2	22%	0.221	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	121.6	179.4	-57.6	177.6	0	0	0	108	R129 N133 E134 K136 K138	R129-I131 HydrophobicContact CG-CG1 4.36Å; I131-N133 PolarHBondContact O-N 2.85Å; I131-E134 PolarHBondContact N-O 2.69Å; I131-E134 PolarHBondContact O-N 2.98Å; I131-K136 HydrophobicContact CB-CD 4.37Å; I131-K136 HydrophobicContact CD1-CB 4.3Å; I131-K138 HydrophobicContact CD1-CD 4.14Å; I131-K138 HydrophobicContact CD1-CG 4.12Å
132	N	84.8	Confident	86.5	Confident	130 Å²	130	77.7 Å²	77.7	70%	0.695	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	44.2	-174.3	-56.1	-12.6	0	0	0	111.7	E134	N132-E134 PolarHBondContact O-N 2.78Å; N132-E134 VanDerWaalsContact O-N 3.09Å
133	N	85.8	Confident	86.4	Confident	146 Å²	146	78 Å²	78	78%	0.781	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	10.2	-176.2	-59.9	-20	0	0	0	116.2	M130 I131	M130-N133 VanDerWaalsContact CE-C 3.49Å; M130-N133 VanDerWaalsContact CE-O 3.27Å; M130-N133 WeakPolarHBondContact CE-O 3.48Å; I131-N133 PolarHBondContact O-N 2.85Å
134	E	85.7	Confident	86.6	Confident	55 Å²	55	81.6 Å²	81.6	26%	0.257	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.2	173.7	-65.3	178.5	160.4	0	0	110.8	T47 I131 N132 K136	T47-E134 PolarHBondContact OG1-OE2 3.46Å; I131-E134 PolarHBondContact N-O 2.69Å; I131-E134 PolarHBondContact O-N 2.98Å; N132-E134 PolarHBondContact O-N 2.78Å; N132-E134 VanDerWaalsContact O-N 3.09Å; E134-K136 PolarHBondContact O-N 3.31Å; E134-K136 WeakPolarHBondContact OE2-CE 3.49Å; E134-K136 IonicContact OE2-NZ 2.79Å; E134-K136 PolarHBondContact OE2-NZ 3.33Å
135	P	91.1	Very high	87	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.4	170.2	27.1	-28.8	0	0	0	109.6	N83 P114 Y120 C128 M130	N83-P135 PolarHBondContact ND2-O 2.91Å; N83-P135 VanDerWaalsContact ND2-O 3.09Å; P114-P135 HydrophobicContact CB-CG 3.97Å; P114-P135 WeakPolarHBondContact O-CD 3.47Å; P114-P135 WeakPolarHBondContact O-CG 3.44Å; Y120-P135 HydrophobicContact CD2-CB 3.89Å; Y120-P135 HydrophobicContact CD2-CG 3.8Å; Y120-P135 HydrophobicContact CE2-CB 4.21Å; Y120-P135 HydrophobicContact CE2-CG 3.93Å; Y120-P135 HydrophobicContact CG-CB 4.13Å; C128-P135 WeakPolarHBondContact SG-CB 3.4Å; M130-P135 HydrophobicContact SD-CB 3.88Å
136	K	89	Confident	87.4	Confident	50 Å²	50	77.7 Å²	77.7	22%	0.217	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140	177.1	-61.9	-168.9	-178.6	-175.1	0	110.2	R129 I131 E134 K138	R129-K136 PolarHBondContact N-O 2.86Å; R129-K136 PolarHBondContact O-N 3.43Å; I131-K136 HydrophobicContact CB-CD 4.37Å; I131-K136 HydrophobicContact CD1-CB 4.3Å; E134-K136 PolarHBondContact O-N 3.31Å; E134-K136 WeakPolarHBondContact OE2-CE 3.49Å; E134-K136 IonicContact OE2-NZ 2.79Å; E134-K136 PolarHBondContact OE2-NZ 3.33Å; K136-K138 PolarHBondContact O-N 3.43Å
137	C	88.8	Confident	87.4	Confident	28 Å²	28	75.4 Å²	75.4	19%	0.189	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.3	172.7	-65.5	0	0	0	0	110.4	C122 H126	C122-C137 WeakPolarHBondContact CA-SG 3.47Å; C122-C137 HydrophobicContact CB-CB 3.88Å; C122-C137 WeakPolarHBondContact CB-SG 2.98Å; C122-C137 WeakPolarHBondContact SG-CA 3.36Å; C122-C137 WeakPolarHBondContact SG-CB 3.08Å; C122-C137 CovalentContact SG-SG 2.05Å; C122-C137 PolarHBondContact SG-SG 3.03Å; H126-C137 HydrophobicContact CB-CB 4.21Å
138	K	86.6	Confident	87.1	Confident	94 Å²	94	76.7 Å²	76.7	41%	0.409	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	142.7	172.3	-73.9	-66.1	179.2	-173	0	109.8	H126 Y127 R129 I131 K136 R140	H126-K138 CarbonylContact C-O 3.59Å; H126-K138 VanDerWaalsContact CA-O 3.25Å; H126-K138 WeakPolarHBondContact CA-O 3.22Å; H126-K138 WeakPolarHBondContact CB-O 3.43Å; Y127-K138 HydrophobicContact CD1-CB 4.37Å; Y127-K138 VanDerWaalsContact CD1-O 3.25Å; Y127-K138 WeakPolarHBondContact CD1-O 3.41Å; Y127-K138 HydrophobicContact CE1-CB 3.89Å; Y127-K138 HydrophobicContact CE2-CB 4.44Å; Y127-K138 PolarHBondContact N-O 2.88Å; Y127-K138 PolarHBondContact O-N 3.47Å; R129-K138 HydrophobicContact CB-CG 4.17Å; I131-K138 HydrophobicContact CD1-CD 4.14Å; I131-K138 HydrophobicContact CD1-CG 4.12Å; K136-K138 PolarHBondContact O-N 3.43Å; K138-R140 PolarHBondContact O-N 3.48Å
139	C	84.1	Confident	86.7	Confident	25 Å²	25	81 Å²	81	17%	0.169	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	132.6	176.3	179.4	0	0	0	0	111.6	Y127 L141 C172	Y127-C139 WeakPolarHBondContact CE1-O 3.33Å; C139-L141 PolarHBondContact O-N 2.76Å; C139-L141 VanDerWaalsContact SG-CD2 3.52Å; C139-C172 HydrophobicContact CB-CB 3.69Å; C139-C172 WeakPolarHBondContact CB-SG 3.18Å; C139-C172 WeakPolarHBondContact SG-CB 3.32Å; C139-C172 CovalentContact SG-SG 1.98Å; C139-C172 PolarHBondContact SG-SG 3.43Å
140	R	85.4	Confident	86	Confident	165 Å²	165	76.1 Å²	76.1	62%	0.623	39%	0.388	S	S	*	.			trans	-86.2	95.1	166.8	-170.5	175.4	-172.7	151.3	1.3	109.1	G125 Y127 K138 Q142	G125-R140 WeakPolarHBondContact O-CA 2.92Å; G125-R140 WeakPolarHBondContact O-CB 3.05Å; G125-R140 PolarHBondContact O-N 3.03Å; Y127-R140 HydrophobicContact CD1-CB 4.12Å; K138-R140 PolarHBondContact O-N 3.48Å; R140-Q142 PolarHBondContact O-N 3.09Å
141	L	80.9	Confident	85.5	Confident	67 Å²	67	74.5 Å²	74.5	35%	0.351	39%	0.391	S	S	.	.			trans	-74.6	116.2	177.4	-62.3	167.3	0	0	0	110.2	C139 Q169 C172	C139-L141 PolarHBondContact O-N 2.76Å; C139-L141 VanDerWaalsContact SG-CD2 3.52Å; L141-Q169 HydrophobicContact CD1-CB 3.8Å; L141-Q169 HydrophobicContact CD1-CG 3.65Å; L141-Q169 VanDerWaalsContact CD2-CA 3.4Å; L141-Q169 HydrophobicContact CD2-CB 3.85Å; L141-Q169 HydrophobicContact CD2-CG 4.3Å; L141-Q169 HydrophobicContact CG-CB 4.49Å; L141-C172 HydrophobicContact CD2-CB 4.15Å
142	Q	80.7	Confident	85.4	Confident	152 Å²	152	75.4 Å²	75.4	71%	0.71	40%	0.4	S	S	*	.			trans	-98.7	90.8	168.8	-64.8	-172.8	-8.1	0	0	108.4	R140 K168	R140-Q142 PolarHBondContact O-N 3.09Å; Q142-K168 PolarHBondContact O-NZ 3.33Å
143	C	87.5	Confident	85.4	Confident	31 Å²	31	71 Å²	71	21%	0.209	38%	0.376	C	S	.	.			trans	-106.7	132.1	171.2	-60.5	0	0	0	0	109.3	D147 Y148 C165	C143-D147 VanDerWaalsContact CA-OD2 3.27Å; C143-D147 WeakPolarHBondContact CA-OD2 3.49Å; C143-D147 HydrophobicContact CB-CB 4.27Å; C143-Y148 HydrophobicContact CB-CD2 4.38Å; C143-Y148 HydrophobicContact CB-CE2 3.6Å; C143-C165 HydrophobicContact CB-CB 3.71Å; C143-C165 WeakPolarHBondContact CB-SG 3.36Å; C143-C165 WeakPolarHBondContact SG-CA 3.44Å; C143-C165 WeakPolarHBondContact SG-CB 3Å; C143-C165 CovalentContact SG-SG 2.04Å; C143-C165 PolarHBondContact SG-SG 3.26Å
144	N	89.2	Confident	85.5	Confident	93 Å²	93	64.2 Å²	64.2	50%	0.497	34%	0.34	S	S	.	.			trans	-95.4	172.5	168.6	65.3	24.9	0	0	0	110.2	A146 D147 Y148	N144-A146 VanDerWaalsContact C-N 3.25Å; N144-A146 PolarHBondContact O-N 2.96Å; N144-A146 WeakPolarHBondContact OD1-CB 3.19Å; N144-A146 PolarHBondContact OD1-N 3.27Å; N144-D147 PolarHBondContact N-OD2 2.58Å; N144-D147 WeakPolarHBondContact O-CB 3.42Å; N144-D147 PolarHBondContact O-N 2.88Å; N144-D147 VanDerWaalsContact O-N 3.13Å; N144-D147 PolarHBondContact OD1-N 3.3Å; N144-D147 PolarHBondContact OD1-OD2 2.97Å; N144-D147 VanDerWaalsContact OD1-OD2 3.11Å; N144-Y148 VanDerWaalsContact O-CD2 3.28Å; N144-Y148 WeakPolarHBondContact O-CD2 3.4Å
145	T	87.6	Confident	85.6	Confident	92 Å²	92	61.6 Å²	61.6	56%	0.564	33%	0.328	S	S	*	.	H	α-helix	trans	-58.3	-38.8	179.5	-49.6	0	0	0	0	112.1	D147 Y148 L149	T145-D147 VanDerWaalsContact C-N 3.29Å; T145-D147 PolarHBondContact O-N 3.4Å; T145-Y148 PolarHBondContact O-N 3.39Å; T145-Y148 VanDerWaalsContact O-N 3.09Å; T145-L149 HydrophobicContact CG2-CD1 3.95Å; T145-L149 HydrophobicContact CG2-CG 4.36Å; T145-L149 WeakPolarHBondContact O-CG 3.36Å; T145-L149 PolarHBondContact O-N 2.85Å; T145-L149 VanDerWaalsContact O-N 3.17Å
146	A	88.4	Confident	85.2	Confident	58 Å²	58	64.8 Å²	64.8	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-38.8	177.6	0	0	0	0	0	112.1	N144 Y148 L149 T150	N144-A146 VanDerWaalsContact C-N 3.25Å; N144-A146 PolarHBondContact O-N 2.96Å; N144-A146 WeakPolarHBondContact OD1-CB 3.19Å; N144-A146 PolarHBondContact OD1-N 3.27Å; A146-Y148 PolarHBondContact O-N 3.17Å; A146-L149 CarbonylContact O-C 3.55Å; A146-L149 PolarHBondContact O-N 3.46Å; A146-L149 VanDerWaalsContact O-N 3.08Å; A146-T150 VanDerWaalsContact O-CG2 3.28Å; A146-T150 WeakPolarHBondContact O-CG2 3.47Å; A146-T150 PolarHBondContact O-N 2.77Å
147	D	89.2	Confident	84.7	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.027	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-26.8	177.5	-65.5	-53.6	0	0	0	113.3	C143 N144 T145 T150 N163 Q164 C165 K168	C143-D147 VanDerWaalsContact CA-OD2 3.27Å; C143-D147 WeakPolarHBondContact CA-OD2 3.49Å; C143-D147 HydrophobicContact CB-CB 4.27Å; N144-D147 PolarHBondContact N-OD2 2.58Å; N144-D147 WeakPolarHBondContact O-CB 3.42Å; N144-D147 PolarHBondContact O-N 2.88Å; N144-D147 VanDerWaalsContact O-N 3.13Å; N144-D147 PolarHBondContact OD1-N 3.3Å; N144-D147 PolarHBondContact OD1-OD2 2.97Å; N144-D147 VanDerWaalsContact OD1-OD2 3.11Å; T145-D147 VanDerWaalsContact C-N 3.29Å; T145-D147 PolarHBondContact O-N 3.4Å; D147-T150 PolarHBondContact O-OG1 3.42Å; D147-T150 VanDerWaalsContact O-OG1 3.12Å; D147-N163 WeakPolarHBondContact O-CB 3.47Å; D147-Q164 HydrophobicContact CB-CB 4.2Å; D147-Q164 HydrophobicContact CB-CG 4.5Å; D147-Q164 PolarHBondContact O-N 2.92Å; D147-Q164 VanDerWaalsContact OD1-CD 3.24Å; D147-Q164 WeakPolarHBondContact OD1-CG 3.32Å; D147-Q164 PolarHBondContact OD1-NE2 2.04Å; D147-C165 HydrophobicContact CB-CB 4.06Å; D147-C165 PolarHBondContact O-N 2.76Å; D147-C165 VanDerWaalsContact O-N 3.1Å; D147-K168 VanDerWaalsContact OD1-CE 3.32Å; D147-K168 WeakPolarHBondContact OD1-CE 3.33Å; D147-K168 IonicContact OD1-NZ 3.11Å; D147-K168 PolarHBondContact OD1-NZ 2.86Å; D147-K168 IonicContact OD2-NZ 3.63Å; D147-K168 PolarHBondContact OD2-NZ 3.07Å
148	Y	84.9	Confident	84.2	Confident	128 Å²	128	65 Å²	65	50%	0.502	35%	0.349	S	S	.	.	H	α-helix	trans	-83.7	-30.9	175.8	-71.8	-76.8	0	0	0	112.4	C143 N144 T145 A146 N163 C165	C143-Y148 HydrophobicContact CB-CD2 4.38Å; C143-Y148 HydrophobicContact CB-CE2 3.6Å; N144-Y148 VanDerWaalsContact O-CD2 3.28Å; N144-Y148 WeakPolarHBondContact O-CD2 3.4Å; T145-Y148 PolarHBondContact O-N 3.39Å; T145-Y148 VanDerWaalsContact O-N 3.09Å; A146-Y148 PolarHBondContact O-N 3.17Å; Y148-N163 WeakPolarHBondContact CA-ND2 3Å; Y148-N163 PolarHBondContact O-ND2 3.36Å; Y148-N163 VanDerWaalsContact O-ND2 3.09Å; Y148-C165 HydrophobicContact CD1-CB 3.99Å; Y148-C165 HydrophobicContact CE1-CB 3.79Å; Y148-C165 VanDerWaalsContact CE1-SG 3.55Å; Y148-C165 HydrophobicContact CE2-CB 4.46Å; Y148-C165 HydrophobicContact CG-CB 4.41Å; Y148-C165 PolarHBondContact OH-SG 3.41Å; Y148-C165 VanDerWaalsContact OH-SG 3.35Å
149	L	83.5	Confident	84.1	Confident	117 Å²	117	63.9 Å²	63.9	61%	0.613	34%	0.343	S	S	*	.	H	α-helix	trans	-85.8	-11.8	-178.4	-64.2	177.3	0	0	0	113.2	T145 A146 G151 Y271	T145-L149 HydrophobicContact CG2-CD1 3.95Å; T145-L149 HydrophobicContact CG2-CG 4.36Å; T145-L149 WeakPolarHBondContact O-CG 3.36Å; T145-L149 PolarHBondContact O-N 2.85Å; T145-L149 VanDerWaalsContact O-N 3.17Å; A146-L149 CarbonylContact O-C 3.55Å; A146-L149 PolarHBondContact O-N 3.46Å; A146-L149 VanDerWaalsContact O-N 3.08Å; L149-G151 PolarHBondContact O-N 3.16Å; L149-Y271 HydrophobicContact CD1-CE1 4.38Å
150	T	78.3	Confident	83.9	Confident	40 Å²	40	66 Å²	66	25%	0.245	35%	0.347	C	S	.	.	S	Bend	trans	-59	140.4	169.7	60.7	0	0	0	0	109.8	A146 D147 N163 Q164	A146-T150 VanDerWaalsContact O-CG2 3.28Å; A146-T150 WeakPolarHBondContact O-CG2 3.47Å; A146-T150 PolarHBondContact O-N 2.77Å; D147-T150 PolarHBondContact O-OG1 3.42Å; D147-T150 VanDerWaalsContact O-OG1 3.12Å; T150-N163 WeakPolarHBondContact O-CB 3.35Å; T150-N163 WeakPolarHBondContact OG1-CA 3.17Å; T150-N163 VanDerWaalsContact OG1-CB 3.3Å; T150-N163 WeakPolarHBondContact OG1-CB 3.48Å; T150-Q164 HydrophobicContact CG2-CB 3.87Å; T150-Q164 WeakPolarHBondContact OG1-CB 3.03Å; T150-Q164 PolarHBondContact OG1-N 2.89Å
151	G	78.6	Confident	83.9	Confident	44 Å²	44	58.1 Å²	58.1	45%	0.454	32%	0.317	S	S	.	.			trans	-64.2	-176.3	170.1	0	0	0	0	0	113.4	L149 L153 H162	L149-G151 PolarHBondContact O-N 3.16Å; G151-L153 PolarHBondContact O-N 2.85Å; G151-H162 CarbonylContact C-O 3.42Å
152	P	83	Confident	83.8	Confident	62 Å²	62	60.5 Å²	60.5	40%	0.403	33%	0.326	S	S	.	.			trans	-60.5	137.6	-179.6	27	-35.4	0	0	0	111.3	R160 F161 H162	P152-R160 HydrophobicContact CB-CG 4.39Å; P152-F161 VanDerWaalsContact CA-O 3.31Å; P152-F161 WeakPolarHBondContact CA-O 3.5Å; P152-H162 WeakPolarHBondContact CA-O 3.05Å
153	L	85.4	Confident	83.9	Confident	37 Å²	37	53.4 Å²	53.4	19%	0.194	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.9	175.5	-63	176.7	0	0	0	109.5	G151 R160 F161 Q164 L167 V181	G151-L153 PolarHBondContact O-N 2.85Å; L153-R160 CarbonylContact O-C 3.54Å; L153-R160 WeakPolarHBondContact O-CA 3.32Å; L153-F161 PolarHBondContact N-O 2.91Å; L153-F161 PolarHBondContact O-N 2.94Å; L153-Q164 HydrophobicContact CD1-CB 3.8Å; L153-Q164 HydrophobicContact CD1-CG 4.29Å; L153-L167 HydrophobicContact CB-CD2 4.38Å; L153-L167 HydrophobicContact CD1-CD2 3.77Å; L153-V181 HydrophobicContact CD2-CG1 4.21Å
154	C	87	Confident	83.9	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.027	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.3	176.1	-64.6	0	0	0	0	110	R159 V181 I182 C184	C154-R159 CarbonylContact C-O 3.5Å; C154-R159 VanDerWaalsContact CA-O 3.24Å; C154-R159 WeakPolarHBondContact CA-O 3.37Å; C154-V181 WeakPolarHBondContact O-CA 3.28Å; C154-I182 HydrophobicContact CB-CG1 4.21Å; C154-I182 PolarHBondContact O-N 3.13Å; C154-I182 VanDerWaalsContact O-O 3.08Å; C154-C184 HydrophobicContact CB-CB 3.94Å; C154-C184 WeakPolarHBondContact CB-SG 3.38Å; C154-C184 PolarHBondContact N-SG 2.88Å; C154-C184 WeakPolarHBondContact SG-CA 3.43Å; C154-C184 WeakPolarHBondContact SG-CB 3.28Å; C154-C184 CovalentContact SG-SG 2.05Å; C154-C184 PolarHBondContact SG-SG 3.34Å
155	T	87.8	Confident	83.8	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	167.3	178.8	48.7	0	0	0	0	112.4	N157 L158 R159 F161 L167 L179 E180 I182	T155-N157 WeakPolarHBondContact CB-OD1 3.44Å; T155-N157 PolarHBondContact O-N 2.05Å; T155-N157 VanDerWaalsContact O-N 3.09Å; T155-N157 PolarHBondContact OG1-OD1 2.96Å; T155-L158 WeakPolarHBondContact O-CA 3.35Å; T155-L158 PolarHBondContact O-N 2.95Å; T155-R159 PolarHBondContact N-O 3.38Å; T155-R159 WeakPolarHBondContact OG1-CB 3.25Å; T155-R159 PolarHBondContact OG1-O 3.45Å; T155-F161 HydrophobicContact CG2-CD2 4.16Å; T155-F161 HydrophobicContact CG2-CE2 3.64Å; T155-L167 HydrophobicContact CG2-CD1 3.78Å; T155-L179 HydrophobicContact CG2-CB 3.92Å; T155-L179 HydrophobicContact CG2-CD2 4.12Å; T155-E180 CarbonylContact C-O 3.55Å; T155-E180 WeakPolarHBondContact CA-O 3.48Å; T155-E180 WeakPolarHBondContact CB-O 3.47Å; T155-I182 WeakPolarHBondContact O-CD1 3.32Å; T155-I182 WeakPolarHBondContact O-CG1 3.4Å
156	T	82.6	Confident	83.7	Confident	69 Å²	69	49 Å²	49	42%	0.423	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.5	-179.8	49.1	0	0	0	0	113.8	L158 E180 I182	T156-L158 VanDerWaalsContact C-N 3.29Å; T156-L158 PolarHBondContact O-N 3.41Å; T156-E180 HydrophobicContact CG2-CB 3.69Å; T156-E180 PolarHBondContact N-O 2.96Å; T156-I182 HydrophobicContact CG2-CG2 3.65Å
157	N	78.3	Confident	83.7	Confident	61 Å²	61	46.3 Å²	46.3	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	14.9	172.5	67.9	-7.7	0	0	0	114.4	T155 R159 E177	T155-N157 WeakPolarHBondContact CB-OD1 3.44Å; T155-N157 PolarHBondContact O-N 2.05Å; T155-N157 VanDerWaalsContact O-N 3.09Å; T155-N157 PolarHBondContact OG1-OD1 2.96Å; N157-R159 PolarHBondContact O-N 2.98Å; N157-R159 VanDerWaalsContact O-N 3.16Å; N157-R159 PolarHBondContact OD1-N 3.5Å; N157-E177 PolarHBondContact ND2-OE1 2.91Å
158	L	80.1	Confident	83.6	Confident	21 Å²	21	49 Å²	49	11%	0.11	25%	0.25	C	C	.	.			trans	61.2	14.6	179.6	-53.2	177.6	0	0	0	115.5	T155 T156 I182 P185 V465 T473 R475	T155-L158 WeakPolarHBondContact O-CA 3.35Å; T155-L158 PolarHBondContact O-N 2.95Å; T156-L158 VanDerWaalsContact C-N 3.29Å; T156-L158 PolarHBondContact O-N 3.41Å; L158-I182 HydrophobicContact CD2-CD1 4.08Å; L158-P185 HydrophobicContact CD2-CG 4.34Å; L158-V465 HydrophobicContact CD1-CG1 4.44Å; L158-T473 HydrophobicContact CB-CG2 3.8Å; L158-T473 WeakPolarHBondContact O-CB 3.45Å; L158-T473 WeakPolarHBondContact O-CG2 3.16Å; L158-T473 PolarHBondContact O-OG1 3.14Å; L158-R475 VanDerWaalsContact CD1-CA 3.49Å; L158-R475 HydrophobicContact CD1-CB 3.72Å; L158-R475 HydrophobicContact CD1-CG 4.47Å
159	R	83	Confident	83.7	Confident	71 Å²	71	45.7 Å²	45.7	27%	0.268	24%	0.239	S	C	.	.			trans	-67.9	140.3	167.6	-77.8	-172.1	171.5	170.1	6.4	109.8	C154 T155 N157 F161 E177	C154-R159 CarbonylContact C-O 3.5Å; C154-R159 VanDerWaalsContact CA-O 3.24Å; C154-R159 WeakPolarHBondContact CA-O 3.37Å; T155-R159 PolarHBondContact N-O 3.38Å; T155-R159 WeakPolarHBondContact OG1-CB 3.25Å; T155-R159 PolarHBondContact OG1-O 3.45Å; N157-R159 PolarHBondContact O-N 2.98Å; N157-R159 VanDerWaalsContact O-N 3.16Å; N157-R159 PolarHBondContact OD1-N 3.5Å; R159-F161 HydrophobicContact CB-CE2 3.87Å; R159-F161 HydrophobicContact CB-CZ 4.06Å; R159-E177 IonicContact CZ-OE1 3.09Å; R159-E177 VanDerWaalsContact CZ-OE1 3.24Å; R159-E177 IonicContact CZ-OE2 3.51Å; R159-E177 IonicContact NE-OE1 2.67Å; R159-E177 IonicContact NH1-OE1 3.57Å; R159-E177 PolarHBondContact NH1-OE1 3.36Å; R159-E177 IonicContact NH1-OE2 3.15Å; R159-E177 PolarHBondContact NH1-OE2 2.88Å; R159-E177 IonicContact NH2-OE1 2.77Å
160	R	81.5	Confident	83.8	Confident	68 Å²	68	40.5 Å²	40.5	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	-178.6	-175.3	174.4	-177.3	-112.9	12.1	110	P152 L153 E187	P152-R160 HydrophobicContact CB-CG 4.39Å; L153-R160 CarbonylContact O-C 3.54Å; L153-R160 WeakPolarHBondContact O-CA 3.32Å; R160-E187 IonicContact CZ-OE1 3.57Å; R160-E187 IonicContact NE-OE1 3.5Å; R160-E187 PolarHBondContact NE-OE1 3.18Å; R160-E187 IonicContact NH1-OE1 2.75Å; R160-E187 IonicContact NH2-OE1 2.6Å; R160-E187 PolarHBondContact NH2-OE1 3.19Å
161	F	84.1	Confident	84.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.3	177.3	-58.9	-84	0	0	0	108.5	P152 L153 T155 R159 N163 H166 L167 A170 L179 E501	P152-F161 VanDerWaalsContact CA-O 3.31Å; P152-F161 WeakPolarHBondContact CA-O 3.5Å; L153-F161 PolarHBondContact N-O 2.91Å; L153-F161 PolarHBondContact O-N 2.94Å; T155-F161 HydrophobicContact CG2-CD2 4.16Å; T155-F161 HydrophobicContact CG2-CE2 3.64Å; R159-F161 HydrophobicContact CB-CE2 3.87Å; R159-F161 HydrophobicContact CB-CZ 4.06Å; F161-N163 PolarHBondContact O-N 3.32Å; F161-H166 HydrophobicContact CB-CB 4.26Å; F161-H166 HydrophobicContact CD1-CB 4.42Å; F161-L167 HydrophobicContact CB-CB 4.01Å; F161-L167 HydrophobicContact CD1-CB 4.33Å; F161-L167 HydrophobicContact CD2-CB 4.16Å; F161-L167 HydrophobicContact CD2-CD1 3.63Å; F161-L167 HydrophobicContact CD2-CG 4.41Å; F161-L167 HydrophobicContact CE2-CD1 3.59Å; F161-L167 HydrophobicContact CG-CB 3.88Å; F161-L167 HydrophobicContact CG-CD1 4.14Å; F161-L167 HydrophobicContact CZ-CD1 4.06Å; F161-A170 HydrophobicContact CD1-CB 4.11Å; F161-A170 HydrophobicContact CE1-CB 3.25Å; F161-A170 HydrophobicContact CZ-CB 3.8Å; F161-L179 HydrophobicContact CE2-CD2 4.32Å; F161-L179 HydrophobicContact CZ-CD1 4.1Å; F161-L179 HydrophobicContact CZ-CD2 4.1Å; F161-E501 HydrophobicContact CD1-CG 4.4Å; F161-E501 VanDerWaalsContact CD1-OE2 3.3Å; F161-E501 WeakPolarHBondContact CD1-OE2 3.13Å; F161-E501 HydrophobicContact CE1-CG 4.39Å; F161-E501 VanDerWaalsContact CE1-OE1 3.3Å; F161-E501 WeakPolarHBondContact CE1-OE1 3.31Å; F161-E501 WeakPolarHBondContact CE1-OE2 3.4Å
162	H	78.4	Confident	84.2	Confident	117 Å²	117	42.5 Å²	42.5	54%	0.542	21%	0.207	S	C	.	.	S	Bend	trans	-61.9	-35.8	-176.8	178.9	69.8	0	0	0	112.5	G151 P152 H166	G151-H162 CarbonylContact C-O 3.42Å; P152-H162 WeakPolarHBondContact CA-O 3.05Å; H162-H166 AromaticContact CD2-CE1 3.95Å
163	N	82.5	Confident	84	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-158.3	177.7	177.6	60.9	31.7	0	0	0	109.6	D147 Y148 T150 F161 C165 H166 L167	D147-N163 WeakPolarHBondContact O-CB 3.47Å; Y148-N163 WeakPolarHBondContact CA-ND2 3Å; Y148-N163 PolarHBondContact O-ND2 3.36Å; Y148-N163 VanDerWaalsContact O-ND2 3.09Å; T150-N163 WeakPolarHBondContact O-CB 3.35Å; T150-N163 WeakPolarHBondContact OG1-CA 3.17Å; T150-N163 VanDerWaalsContact OG1-CB 3.3Å; T150-N163 WeakPolarHBondContact OG1-CB 3.48Å; F161-N163 PolarHBondContact O-N 3.32Å; N163-C165 VanDerWaalsContact C-N 3.27Å; N163-C165 PolarHBondContact O-N 3.46Å; N163-C165 WeakPolarHBondContact OD1-CB 3.41Å; N163-C165 PolarHBondContact OD1-N 2.86Å; N163-H166 VanDerWaalsContact CG-ND1 3.32Å; N163-H166 PolarHBondContact O-N 2.87Å; N163-H166 PolarHBondContact OD1-N 3Å; N163-H166 VanDerWaalsContact OD1-N 3.08Å; N163-H166 PolarHBondContact OD1-ND1 3.2Å; N163-L167 PolarHBondContact O-N 3.43Å
164	Q	88.1	Confident	83.7	Confident	69 Å²	69	46.9 Å²	46.9	32%	0.322	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-32.3	-178.8	-174.7	166	-12.9	0	0	112.8	D147 T150 L153 L167 K168	D147-Q164 HydrophobicContact CB-CB 4.2Å; D147-Q164 HydrophobicContact CB-CG 4.5Å; D147-Q164 PolarHBondContact O-N 2.92Å; D147-Q164 VanDerWaalsContact OD1-CD 3.24Å; D147-Q164 WeakPolarHBondContact OD1-CG 3.32Å; D147-Q164 PolarHBondContact OD1-NE2 2.04Å; T150-Q164 HydrophobicContact CG2-CB 3.87Å; T150-Q164 WeakPolarHBondContact OG1-CB 3.03Å; T150-Q164 PolarHBondContact OG1-N 2.89Å; L153-Q164 HydrophobicContact CD1-CB 3.8Å; L153-Q164 HydrophobicContact CD1-CG 4.29Å; Q164-L167 PolarHBondContact O-N 3.27Å; Q164-K168 WeakPolarHBondContact O-CG 3.06Å; Q164-K168 PolarHBondContact O-N 3.49Å
165	C	87.2	Confident	82.9	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-42.3	176.6	-174.8	0	0	0	0	112.2	C143 D147 Y148 N163 L167 K168 Q169	C143-C165 HydrophobicContact CB-CB 3.71Å; C143-C165 WeakPolarHBondContact CB-SG 3.36Å; C143-C165 WeakPolarHBondContact SG-CA 3.44Å; C143-C165 WeakPolarHBondContact SG-CB 3Å; C143-C165 CovalentContact SG-SG 2.04Å; C143-C165 PolarHBondContact SG-SG 3.26Å; D147-C165 HydrophobicContact CB-CB 4.06Å; D147-C165 PolarHBondContact O-N 2.76Å; D147-C165 VanDerWaalsContact O-N 3.1Å; Y148-C165 HydrophobicContact CD1-CB 3.99Å; Y148-C165 HydrophobicContact CE1-CB 3.79Å; Y148-C165 VanDerWaalsContact CE1-SG 3.55Å; Y148-C165 HydrophobicContact CE2-CB 4.46Å; Y148-C165 HydrophobicContact CG-CB 4.41Å; Y148-C165 PolarHBondContact OH-SG 3.41Å; Y148-C165 VanDerWaalsContact OH-SG 3.35Å; N163-C165 VanDerWaalsContact C-N 3.27Å; N163-C165 PolarHBondContact O-N 3.46Å; N163-C165 WeakPolarHBondContact OD1-CB 3.41Å; N163-C165 PolarHBondContact OD1-N 2.86Å; C165-L167 VanDerWaalsContact C-N 3.34Å; C165-L167 PolarHBondContact O-N 3.01Å; C165-K168 PolarHBondContact O-N 3.01Å; C165-Q169 WeakPolarHBondContact O-CB 3.35Å; C165-Q169 PolarHBondContact O-N 2.61Å
166	H	86.7	Confident	82.2	Confident	50 Å²	50	56.9 Å²	56.9	23%	0.231	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-39.8	175.3	-66.5	102.7	0	0	0	111.7	F161 H162 N163 Q169 A170	F161-H166 HydrophobicContact CB-CB 4.26Å; F161-H166 HydrophobicContact CD1-CB 4.42Å; H162-H166 AromaticContact CD2-CE1 3.95Å; N163-H166 VanDerWaalsContact CG-ND1 3.32Å; N163-H166 PolarHBondContact O-N 2.87Å; N163-H166 PolarHBondContact OD1-N 3Å; N163-H166 VanDerWaalsContact OD1-N 3.08Å; N163-H166 PolarHBondContact OD1-ND1 3.2Å; H166-Q169 WeakPolarHBondContact O-CA 3.39Å; H166-Q169 WeakPolarHBondContact O-CB 3.34Å; H166-Q169 PolarHBondContact O-N 2.79Å; H166-A170 PolarHBondContact O-N 3.45Å
167	L	88.2	Confident	82	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-44	173.8	175.5	62.3	0	0	0	112.3	L153 T155 F161 N163 Q164 C165 Q169 A170 R171 L179 V181	L153-L167 HydrophobicContact CB-CD2 4.38Å; L153-L167 HydrophobicContact CD1-CD2 3.77Å; T155-L167 HydrophobicContact CG2-CD1 3.78Å; F161-L167 HydrophobicContact CB-CB 4.01Å; F161-L167 HydrophobicContact CD1-CB 4.33Å; F161-L167 HydrophobicContact CD2-CB 4.16Å; F161-L167 HydrophobicContact CD2-CD1 3.63Å; F161-L167 HydrophobicContact CD2-CG 4.41Å; F161-L167 HydrophobicContact CE2-CD1 3.59Å; F161-L167 HydrophobicContact CG-CB 3.88Å; F161-L167 HydrophobicContact CG-CD1 4.14Å; F161-L167 HydrophobicContact CZ-CD1 4.06Å; N163-L167 PolarHBondContact O-N 3.43Å; Q164-L167 PolarHBondContact O-N 3.27Å; C165-L167 VanDerWaalsContact C-N 3.34Å; C165-L167 PolarHBondContact O-N 3.01Å; L167-Q169 PolarHBondContact O-N 3.02Å; L167-A170 PolarHBondContact O-N 3.08Å; L167-R171 HydrophobicContact CD1-CG 4.46Å; L167-R171 WeakPolarHBondContact O-CG 3.35Å; L167-R171 PolarHBondContact O-N 2.78Å; L167-L179 HydrophobicContact CD1-CB 3.97Å; L167-L179 HydrophobicContact CD1-CD1 4.28Å; L167-V181 HydrophobicContact CD2-CG2 3.54Å
168	K	87.5	Confident	82.1	Confident	62 Å²	62	56.2 Å²	56.2	27%	0.27	27%	0.274	S	S	.	.	H	α-helix	trans	-58.3	-40.4	172.8	-74.2	179.1	179.6	-178	0	110.9	Q142 D147 Q164 C165 C172	Q142-K168 PolarHBondContact O-NZ 3.33Å; D147-K168 VanDerWaalsContact OD1-CE 3.32Å; D147-K168 WeakPolarHBondContact OD1-CE 3.33Å; D147-K168 IonicContact OD1-NZ 3.11Å; D147-K168 PolarHBondContact OD1-NZ 2.86Å; D147-K168 IonicContact OD2-NZ 3.63Å; D147-K168 PolarHBondContact OD2-NZ 3.07Å; Q164-K168 WeakPolarHBondContact O-CG 3.06Å; Q164-K168 PolarHBondContact O-N 3.49Å; C165-K168 PolarHBondContact O-N 3.01Å; K168-C172 WeakPolarHBondContact O-CB 3.31Å; K168-C172 PolarHBondContact O-N 3.37Å
169	Q	85.8	Confident	82.3	Confident	58 Å²	58	55.6 Å²	55.6	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-43.9	176.4	-179.2	173.6	37.8	0	0	113.4	L141 C165 H166 L167 C172 K173	L141-Q169 HydrophobicContact CD1-CB 3.8Å; L141-Q169 HydrophobicContact CD1-CG 3.65Å; L141-Q169 VanDerWaalsContact CD2-CA 3.4Å; L141-Q169 HydrophobicContact CD2-CB 3.85Å; L141-Q169 HydrophobicContact CD2-CG 4.3Å; L141-Q169 HydrophobicContact CG-CB 4.49Å; C165-Q169 WeakPolarHBondContact O-CB 3.35Å; C165-Q169 PolarHBondContact O-N 2.61Å; H166-Q169 WeakPolarHBondContact O-CA 3.39Å; H166-Q169 WeakPolarHBondContact O-CB 3.34Å; H166-Q169 PolarHBondContact O-N 2.79Å; L167-Q169 PolarHBondContact O-N 3.02Å; Q169-C172 PolarHBondContact O-N 2.8Å; Q169-K173 HydrophobicContact CG-CD 4.23Å; Q169-K173 WeakPolarHBondContact O-CG 3.15Å; Q169-K173 PolarHBondContact O-N 2.9Å
170	A	85.5	Confident	82.6	Confident	9 Å²	9	57.9 Å²	57.9	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-47.2	177.5	0	0	0	0	0	112	F161 H166 L167 C172 K173 S174 L179	F161-A170 HydrophobicContact CD1-CB 4.11Å; F161-A170 HydrophobicContact CE1-CB 3.25Å; F161-A170 HydrophobicContact CZ-CB 3.8Å; H166-A170 PolarHBondContact O-N 3.45Å; L167-A170 PolarHBondContact O-N 3.08Å; A170-C172 PolarHBondContact O-N 3.22Å; A170-K173 PolarHBondContact O-N 2.7Å; A170-K173 VanDerWaalsContact O-N 3.11Å; A170-S174 PolarHBondContact O-N 2.86Å; A170-L179 HydrophobicContact CB-CD1 3.78Å
171	R	85.6	Confident	83	Confident	93 Å²	93	58.2 Å²	58.2	35%	0.351	29%	0.294	S	S	.	.	H	α-helix	trans	-54	-41.4	174.7	-75.7	-179.4	-174.3	148.5	-1.9	112.1	L167 S174 P175 L179	L167-R171 HydrophobicContact CD1-CG 4.46Å; L167-R171 WeakPolarHBondContact O-CG 3.35Å; L167-R171 PolarHBondContact O-N 2.78Å; R171-S174 CarbonylContact O-C 3.55Å; R171-S174 VanDerWaalsContact O-C 3.31Å; R171-S174 PolarHBondContact O-N 3.47Å; R171-P175 VanDerWaalsContact O-CA 3.29Å; R171-P175 WeakPolarHBondContact O-CA 3.44Å; R171-L179 HydrophobicContact CG-CB 3.87Å; R171-L179 HydrophobicContact CG-CD1 3.8Å; R171-L179 HydrophobicContact CG-CG 4.39Å; R171-L179 PolarHBondContact NE-O 3.33Å; R171-L179 PolarHBondContact NH2-O 3.05Å
172	C	80.7	Confident	83	Confident	32 Å²	32	60.7 Å²	60.7	22%	0.216	31%	0.307	C	S	.	.	H	α-helix	trans	-74.1	-33.2	-178.7	-156.7	0	0	0	0	113.6	C139 L141 K168 Q169 A170 S174	C139-C172 HydrophobicContact CB-CB 3.69Å; C139-C172 WeakPolarHBondContact CB-SG 3.18Å; C139-C172 WeakPolarHBondContact SG-CB 3.32Å; C139-C172 CovalentContact SG-SG 1.98Å; C139-C172 PolarHBondContact SG-SG 3.43Å; L141-C172 HydrophobicContact CD2-CB 4.15Å; K168-C172 WeakPolarHBondContact O-CB 3.31Å; K168-C172 PolarHBondContact O-N 3.37Å; Q169-C172 PolarHBondContact O-N 2.8Å; A170-C172 PolarHBondContact O-N 3.22Å; C172-S174 VanDerWaalsContact C-N 3.34Å
173	K	79	Confident	83.3	Confident	138 Å²	138	60.8 Å²	60.8	60%	0.6	32%	0.318	S	S	*	.	H	α-helix	trans	-70.7	-32	174.4	-73.6	172.5	-176.6	169.3	0	112.2	Q169 A170	Q169-K173 HydrophobicContact CG-CD 4.23Å; Q169-K173 WeakPolarHBondContact O-CG 3.15Å; Q169-K173 PolarHBondContact O-N 2.9Å; A170-K173 PolarHBondContact O-N 2.7Å; A170-K173 VanDerWaalsContact O-N 3.11Å
174	S	78	Confident	83.1	Confident	54 Å²	54	62.8 Å²	62.8	38%	0.378	33%	0.331	S	S	.	.			trans	-136.6	69.8	-173.1	-62.9	0	0	0	0	111	A170 R171 C172 K176 E177	A170-S174 PolarHBondContact O-N 2.86Å; R171-S174 CarbonylContact O-C 3.55Å; R171-S174 VanDerWaalsContact O-C 3.31Å; R171-S174 PolarHBondContact O-N 3.47Å; C172-S174 VanDerWaalsContact C-N 3.34Å; S174-K176 PolarHBondContact O-N 3.31Å; S174-K176 VanDerWaalsContact O-N 3.14Å; S174-E177 WeakPolarHBondContact O-CB 3.27Å; S174-E177 PolarHBondContact O-N 3.43Å
175	P	70.9	Confident	82.4	Confident	92 Å²	92	61.6 Å²	61.6	60%	0.597	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.3	-173.7	24.3	-33.8	0	0	0	114	R171 E177	R171-P175 VanDerWaalsContact O-CA 3.29Å; R171-P175 WeakPolarHBondContact O-CA 3.44Å; P175-E177 VanDerWaalsContact C-N 3.3Å
176	K	72.9	Confident	81.6	Confident	122 Å²	122	68 Å²	68	53%	0.53	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14	174.7	-64.8	-174.2	176	-174.4	0	112.9	E67 S174	E67-K176 IonicContact OE2-NZ 3.53Å; E67-K176 PolarHBondContact OE2-NZ 2.81Å; S174-K176 PolarHBondContact O-N 3.31Å; S174-K176 VanDerWaalsContact O-N 3.14Å
177	E	78.4	Confident	80.5	Confident	53 Å²	53	68.7 Å²	68.7	25%	0.248	37%	0.367	C	S	.	.	S	Bend	trans	-84.6	122.3	179.1	-168.3	174.9	172.9	0	0	110.1	N157 R159 S174 P175 L179	N157-E177 PolarHBondContact ND2-OE1 2.91Å; R159-E177 IonicContact CZ-OE1 3.09Å; R159-E177 VanDerWaalsContact CZ-OE1 3.24Å; R159-E177 IonicContact CZ-OE2 3.51Å; R159-E177 IonicContact NE-OE1 2.67Å; R159-E177 IonicContact NH1-OE1 3.57Å; R159-E177 PolarHBondContact NH1-OE1 3.36Å; R159-E177 IonicContact NH1-OE2 3.15Å; R159-E177 PolarHBondContact NH1-OE2 2.88Å; R159-E177 IonicContact NH2-OE1 2.77Å; S174-E177 WeakPolarHBondContact O-CB 3.27Å; S174-E177 PolarHBondContact O-N 3.43Å; P175-E177 VanDerWaalsContact C-N 3.3Å; E177-L179 HydrophobicContact CB-CG 4.44Å; E177-L179 HydrophobicContact CG-CD2 3.98Å; E177-L179 HydrophobicContact CG-CG 4.14Å; E177-L179 PolarHBondContact O-N 3.09Å; E177-L179 VanDerWaalsContact O-N 3.12Å
178	S	79.2	Confident	79.4	Confident	63 Å²	63	69.9 Å²	69.9	44%	0.441	38%	0.379	S	S	.	.			trans	-70.3	108.9	171.3	175.9	0	0	0	0	109.5	E180	S178-E180 PolarHBondContact OG-OE1 3.43Å
179	L	85.9	Confident	78.3	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.037	39%	0.386	C	S	.	.			trans	-113.9	59.1	176.7	-65.9	179.8	0	0	0	109.6	T155 F161 L167 A170 R171 E177	T155-L179 HydrophobicContact CG2-CB 3.92Å; T155-L179 HydrophobicContact CG2-CD2 4.12Å; F161-L179 HydrophobicContact CE2-CD2 4.32Å; F161-L179 HydrophobicContact CZ-CD1 4.1Å; F161-L179 HydrophobicContact CZ-CD2 4.1Å; L167-L179 HydrophobicContact CD1-CB 3.97Å; L167-L179 HydrophobicContact CD1-CD1 4.28Å; A170-L179 HydrophobicContact CB-CD1 3.78Å; R171-L179 HydrophobicContact CG-CB 3.87Å; R171-L179 HydrophobicContact CG-CD1 3.8Å; R171-L179 HydrophobicContact CG-CG 4.39Å; R171-L179 PolarHBondContact NE-O 3.33Å; R171-L179 PolarHBondContact NH2-O 3.05Å; E177-L179 HydrophobicContact CB-CG 4.44Å; E177-L179 HydrophobicContact CG-CD2 3.98Å; E177-L179 HydrophobicContact CG-CG 4.14Å; E177-L179 PolarHBondContact O-N 3.09Å; E177-L179 VanDerWaalsContact O-N 3.12Å
180	E	88	Confident	78.2	Confident	119 Å²	119	70.7 Å²	70.7	56%	0.556	38%	0.384	S	S	*	.			trans	-71.6	131	173.7	-75.7	165.7	-145.1	0	0	110.5	T155 T156 S178	T155-E180 CarbonylContact C-O 3.55Å; T155-E180 WeakPolarHBondContact CA-O 3.48Å; T155-E180 WeakPolarHBondContact CB-O 3.47Å; T156-E180 HydrophobicContact CG2-CB 3.69Å; T156-E180 PolarHBondContact N-O 2.96Å; S178-E180 PolarHBondContact OG-OE1 3.43Å
181	V	89.6	Confident	78.2	Confident	76 Å²	76	71.2 Å²	71.2	46%	0.461	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.5	-175.7	-175.5	0	0	0	0	110.2	L153 C154 L167	L153-V181 HydrophobicContact CD2-CG1 4.21Å; C154-V181 WeakPolarHBondContact O-CA 3.28Å; L167-V181 HydrophobicContact CD2-CG2 3.54Å
182	I	85.9	Confident	78.2	Confident	51 Å²	51	67 Å²	67	26%	0.262	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.2	168.8	63.5	168.7	0	0	0	109.4	C154 T155 T156 L158 C184	C154-I182 HydrophobicContact CB-CG1 4.21Å; C154-I182 PolarHBondContact O-N 3.13Å; C154-I182 VanDerWaalsContact O-O 3.08Å; T155-I182 WeakPolarHBondContact O-CD1 3.32Å; T155-I182 WeakPolarHBondContact O-CG1 3.4Å; T156-I182 HydrophobicContact CG2-CG2 3.65Å; L158-I182 HydrophobicContact CD2-CD1 4.08Å; I182-C184 PolarHBondContact O-N 3.34Å
183	P	83.8	Confident	78.3	Confident	120 Å²	120	71.2 Å²	71.2	78%	0.779	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-52.9	135.2	165.2	-24.4	34.6	0	0	0	110.2
184	C	78	Confident	78.4	Confident	45 Å²	45	69.9 Å²	69.9	30%	0.304	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-62.8	130.1	174.6	-79.7	0	0	0	0	109.7	C154 I182	C154-C184 HydrophobicContact CB-CB 3.94Å; C154-C184 WeakPolarHBondContact CB-SG 3.38Å; C154-C184 PolarHBondContact N-SG 2.88Å; C154-C184 WeakPolarHBondContact SG-CA 3.43Å; C154-C184 WeakPolarHBondContact SG-CB 3.28Å; C154-C184 CovalentContact SG-SG 2.05Å; C154-C184 PolarHBondContact SG-SG 3.34Å; I182-C184 PolarHBondContact O-N 3.34Å
185	P	74.2	Confident	78.9	Confident	44 Å²	44	67.5 Å²	67.5	29%	0.286	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-60.6	146.5	173.6	27	-32.9	0	0	0	108.8	L158 E187 V465	L158-P185 HydrophobicContact CD2-CG 4.34Å; P185-E187 PolarHBondContact O-N 2.82Å; P185-V465 HydrophobicContact CB-CG1 3.89Å; P185-V465 HydrophobicContact CG-CB 4.47Å; P185-V465 HydrophobicContact CG-CG1 3.57Å; P185-V465 HydrophobicContact CG-CG2 4.14Å
186	D	69.9	Low	79.6	Confident	139 Å²	139	64.1 Å²	64.1	74%	0.743	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-54.6	120.6	173.5	-78.2	-38.6	0	0	0	108.9	G188	D186-G188 PolarHBondContact O-N 3.13Å
187	E	64.1	Low	80.1	Confident	65 Å²	65	59.2 Å²	59.2	30%	0.304	33%	0.33	S	S	.	.			trans	-64.2	108.1	166.1	-58.2	-170.2	157.7	0	0	104.5	R160 P185 R190	R160-E187 IonicContact CZ-OE1 3.57Å; R160-E187 IonicContact NE-OE1 3.5Å; R160-E187 PolarHBondContact NE-OE1 3.18Å; R160-E187 IonicContact NH1-OE1 2.75Å; R160-E187 IonicContact NH2-OE1 2.6Å; R160-E187 PolarHBondContact NH2-OE1 3.19Å; P185-E187 PolarHBondContact O-N 2.82Å; E187-R190 IonicContact OE1-NH2 2.71Å; E187-R190 PolarHBondContact OE1-NH2 3.29Å; E187-R190 VanDerWaalsContact OE1-NH2 3.09Å; E187-R190 IonicContact OE2-CZ 3.09Å; E187-R190 IonicContact OE2-NE 2.77Å; E187-R190 PolarHBondContact OE2-NE 2.83Å; E187-R190 IonicContact OE2-NH2 3.37Å; E187-R190 PolarHBondContact OE2-NH2 3.14Å
188	G	63.7	Low	80.2	Confident	25 Å²	25	58.5 Å²	58.5	26%	0.258	33%	0.332	S	S	.	.			trans	-56.7	164.7	172.2	0	0	0	0	0	109.5	D186 R190	D186-G188 PolarHBondContact O-N 3.13Å; G188-R190 PolarHBondContact O-N 3.11Å
189	L	66.2	Low	79.8	Confident	80 Å²	80	63.5 Å²	63.5	42%	0.419	35%	0.348	S	S	.	.			trans	-40.2	135.1	-173.2	-68.7	147.8	0	0	0	111.7	K294 P313	L189-K294 CarbonylContact C-O 3.59Å; L189-K294 WeakPolarHBondContact CA-O 3.09Å; L189-P313 HydrophobicContact CB-CG 3.43Å; L189-P313 VanDerWaalsContact CB-CG 3.43Å; L189-P313 WeakPolarHBondContact O-CD 3.49Å; L189-P313 WeakPolarHBondContact O-CG 3.42Å
190	R	82.5	Confident	79	Confident	57 Å²	57	71.2 Å²	71.2	22%	0.215	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	170.6	173.6	-67.9	174.4	171.2	-86.5	2.6	109.9	E187 G188 K294 E295 L296	E187-R190 IonicContact OE1-NH2 2.71Å; E187-R190 PolarHBondContact OE1-NH2 3.29Å; E187-R190 VanDerWaalsContact OE1-NH2 3.09Å; E187-R190 IonicContact OE2-CZ 3.09Å; E187-R190 IonicContact OE2-NE 2.77Å; E187-R190 PolarHBondContact OE2-NE 2.83Å; E187-R190 IonicContact OE2-NH2 3.37Å; E187-R190 PolarHBondContact OE2-NH2 3.14Å; G188-R190 PolarHBondContact O-N 3.11Å; R190-K294 PolarHBondContact N-O 3.17Å; R190-E295 HydrophobicContact CB-CG 4.5Å; R190-E295 CarbonylContact O-C 3.5Å; R190-E295 VanDerWaalsContact O-CA 3.32Å; R190-E295 WeakPolarHBondContact O-CA 3.37Å; R190-L296 PolarHBondContact O-N 3.31Å
191	C	85.6	Confident	78	Confident	20 Å²	20	66.2 Å²	66.2	14%	0.135	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.6	166.3	-71.2	0	0	0	0	109.6	C304 L305	C191-C304 WeakPolarHBondContact CA-SG 3.48Å; C191-C304 HydrophobicContact CB-CB 3.51Å; C191-C304 WeakPolarHBondContact CB-SG 3.34Å; C191-C304 WeakPolarHBondContact SG-CB 3.45Å; C191-C304 CovalentContact SG-SG 2.04Å; C191-C304 PolarHBondContact SG-SG 3.29Å; C191-L305 PolarHBondContact SG-N 2.92Å; C191-L305 VanDerWaalsContact SG-N 3.38Å
192	S	85.5	Confident	76.9	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.042	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-69.3	145.2	172.8	-170	0	0	0	0	110.7	L194 S195 E295 L296	S192-L194 PolarHBondContact O-N 2.05Å; S192-L194 VanDerWaalsContact O-N 3.15Å; S192-S195 PolarHBondContact O-N 3.25Å; S192-E295 WeakPolarHBondContact CA-OE2 3.47Å; S192-E295 WeakPolarHBondContact CB-OE2 3.04Å; S192-E295 PolarHBondContact OG-OE2 3.37Å; S192-L296 WeakPolarHBondContact CB-O 3.42Å; S192-L296 PolarHBondContact N-O 3.06Å
193	D	82.3	Confident	75.7	Confident	119 Å²	119	68.1 Å²	68.1	64%	0.636	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-58.2	-28	176.3	-74.3	-23.4	0	0	0	112.8	S195 I196 N201	D193-S195 PolarHBondContact O-N 3.46Å; D193-I196 HydrophobicContact CB-CD1 4.44Å; D193-I196 WeakPolarHBondContact OD1-CD1 3.27Å; D193-N201 PolarHBondContact O-ND2 3.18Å
194	L	82.6	Confident	74.5	Confident	110 Å²	110	65.6 Å²	65.6	58%	0.576	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-70.1	-19	175.6	-64.2	176.3	0	0	0	113.5	S192	S192-L194 PolarHBondContact O-N 2.05Å; S192-L194 VanDerWaalsContact O-N 3.15Å
195	S	87.6	Confident	73.6	Confident	5 Å²	5	64.5 Å²	64.5	4%	0.035	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-110.4	12.2	-176.9	-57.5	0	0	0	0	113	S192 D193 I297 C298 Y303 C304	S192-S195 PolarHBondContact O-N 3.25Å; D193-S195 PolarHBondContact O-N 3.46Å; S195-I297 WeakPolarHBondContact OG-CA 3.38Å; S195-C298 PolarHBondContact OG-N 3.41Å; S195-Y303 CarbonylContact O-C 3.59Å; S195-Y303 VanDerWaalsContact O-CA 3.28Å; S195-Y303 WeakPolarHBondContact O-CA 3.48Å; S195-C304 PolarHBondContact O-N 3.09Å
196	I	85.9	Confident	72.9	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.108	35%	0.346	C	S	.	.	S	Bend	trans	-81.4	138.3	174.1	-67.4	172.4	0	0	0	109.6	D193 S198 N201 Q360	D193-I196 HydrophobicContact CB-CD1 4.44Å; D193-I196 WeakPolarHBondContact OD1-CD1 3.27Å; I196-S198 PolarHBondContact O-N 2.93Å; I196-N201 WeakPolarHBondContact O-CB 3.32Å; I196-N201 PolarHBondContact O-ND2 2.86Å; I196-Q360 HydrophobicContact CB-CG 4.45Å; I196-Q360 HydrophobicContact CG1-CG 4.01Å; I196-Q360 HydrophobicContact CG2-CG 3.94Å
197	L	84.4	Confident	72.2	Confident	18 Å²	18	63.5 Å²	63.5	9%	0.094	33%	0.334	C	S	.	.			trans	-70.3	104.9	170.7	-177	62.2	0	0	0	109.7	L202 Y303 L354 L357 K358	L197-L202 HydrophobicContact CD1-CD2 4.01Å; L197-L202 HydrophobicContact CD1-CG 4.23Å; L197-Y303 VanDerWaalsContact CA-CD1 3.43Å; L197-Y303 HydrophobicContact CB-CD1 3.72Å; L197-Y303 HydrophobicContact CB-CE1 4.18Å; L197-Y303 HydrophobicContact CB-CG 3.95Å; L197-Y303 HydrophobicContact CD1-CD1 3.9Å; L197-Y303 HydrophobicContact CD1-CD2 4.18Å; L197-Y303 HydrophobicContact CD1-CE1 3.53Å; L197-Y303 HydrophobicContact CD1-CE2 3.86Å; L197-Y303 HydrophobicContact CD1-CG 4.19Å; L197-Y303 VanDerWaalsContact CD1-CZ 3.5Å; L197-Y303 HydrophobicContact CG-CD1 4.42Å; L197-Y303 HydrophobicContact CG-CE1 4.47Å; L197-L354 HydrophobicContact CD2-CD1 3.57Å; L197-L357 HydrophobicContact CB-CB 4.27Å; L197-L357 HydrophobicContact CD2-CB 3.71Å; L197-K358 HydrophobicContact CD2-CG 3.87Å
198	S	79.3	Confident	71.9	Confident	39 Å²	39	65.2 Å²	65.2	27%	0.273	34%	0.34	S	S	.	.			trans	-143.6	159.6	178.3	74.7	0	0	0	0	110.7	I196 K200 N201 L202	I196-S198 PolarHBondContact O-N 2.93Å; S198-K200 PolarHBondContact O-N 3.23Å; S198-N201 PolarHBondContact O-N 3.33Å; S198-N201 VanDerWaalsContact O-N 3.08Å; S198-N201 WeakPolarHBondContact OG-CB 3.42Å; S198-N201 VanDerWaalsContact OG-CG 3.24Å; S198-N201 PolarHBondContact OG-N 2.8Å; S198-N201 VanDerWaalsContact OG-N 3.14Å; S198-N201 PolarHBondContact OG-ND2 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3Å; S198-L202 PolarHBondContact O-N 3.12Å
199	E	72	Confident	71.5	Confident	168 Å²	168	69.4 Å²	69.4	79%	0.785	35%	0.352	S	S	*	.	H	α-helix	trans	-55.8	-38.1	174.9	-68.2	-180	178.4	0	0	112.3	N203	E199-N203 PolarHBondContact O-N 3.18Å
200	K	68.7	Low	71.1	Confident	169 Å²	169	68.9 Å²	68.9	74%	0.735	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-43.2	176	-65.8	-177.4	178.5	-177.9	0	112	S198 N203 L204	S198-K200 PolarHBondContact O-N 3.23Å; K200-N203 PolarHBondContact O-N 3.23Å; K200-L204 PolarHBondContact O-N 2.04Å; K200-L204 VanDerWaalsContact O-N 3.1Å
201	N	67.4	Low	69.9	Low	14 Å²	14	70.4 Å²	70.4	8%	0.075	36%	0.364	C	S	.	.	H	α-helix	trans	-80.1	-25.7	-175.4	-64.8	-16	0	0	0	112.6	D193 I196 S198 N203 L204 N205	D193-N201 PolarHBondContact O-ND2 3.18Å; I196-N201 WeakPolarHBondContact O-CB 3.32Å; I196-N201 PolarHBondContact O-ND2 2.86Å; S198-N201 PolarHBondContact O-N 3.33Å; S198-N201 VanDerWaalsContact O-N 3.08Å; S198-N201 WeakPolarHBondContact OG-CB 3.42Å; S198-N201 VanDerWaalsContact OG-CG 3.24Å; S198-N201 PolarHBondContact OG-N 2.8Å; S198-N201 VanDerWaalsContact OG-N 3.14Å; S198-N201 PolarHBondContact OG-ND2 3.3Å; N201-N203 VanDerWaalsContact C-N 3.27Å; N201-N203 PolarHBondContact O-N 3.1Å; N201-L204 PolarHBondContact O-N 2.95Å; N201-N205 WeakPolarHBondContact O-CB 3.24Å; N201-N205 PolarHBondContact O-N 2.9Å
202	L	66.6	Low	68.3	Low	48 Å²	48	76.7 Å²	76.7	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-57.6	-43.5	167.4	-75.7	165.3	0	0	0	110.5	L197 S198 S206 Y303	L197-L202 HydrophobicContact CD1-CD2 4.01Å; L197-L202 HydrophobicContact CD1-CG 4.23Å; S198-L202 WeakPolarHBondContact O-CG 3Å; S198-L202 PolarHBondContact O-N 3.12Å; L202-S206 PolarHBondContact O-N 3.47Å; L202-S206 VanDerWaalsContact O-N 3.09Å; L202-Y303 WeakPolarHBondContact CD2-OH 3.38Å
203	N	60	Low	66.8	Low	119 Å²	119	78.9 Å²	78.9	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-71	-39.8	176.9	-72.9	-17	0	0	0	113.1	E199 K200 N201 S206 L207	E199-N203 PolarHBondContact O-N 3.18Å; K200-N203 PolarHBondContact O-N 3.23Å; N201-N203 VanDerWaalsContact C-N 3.27Å; N201-N203 PolarHBondContact O-N 3.1Å; N203-S206 CarbonylContact O-C 3.55Å; N203-S206 WeakPolarHBondContact O-CB 3.37Å; N203-S206 PolarHBondContact O-N 2.7Å; N203-L207 WeakPolarHBondContact O-CB 3.44Å; N203-L207 PolarHBondContact O-N 3.14Å
204	L	59.1	Low	65.6	Low	66 Å²	66	77.6 Å²	77.6	35%	0.346	39%	0.394	S	S	.	.	H	α-helix	trans	-61.4	-45.3	175.1	-81.8	165.5	0	0	0	111.6	K200 N201 S206 L207 F208	K200-L204 PolarHBondContact O-N 2.04Å; K200-L204 VanDerWaalsContact O-N 3.1Å; N201-L204 PolarHBondContact O-N 2.95Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 2.79Å; L204-L207 PolarHBondContact O-N 3.48Å; L204-L207 VanDerWaalsContact O-N 3.15Å; L204-F208 WeakPolarHBondContact O-CD2 3.37Å; L204-F208 PolarHBondContact O-N 3.1Å
205	N	58.5	Low	64.2	Low	23 Å²	23	78.2 Å²	78.2	12%	0.123	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-37.1	175.3	-79.9	-16.9	0	0	0	111.8	N201 K209 Y303	N201-N205 WeakPolarHBondContact O-CB 3.24Å; N201-N205 PolarHBondContact O-N 2.9Å; N205-K209 WeakPolarHBondContact O-CB 3.3Å; N205-K209 PolarHBondContact O-N 3.35Å; N205-Y303 PolarHBondContact ND2-OH 3.23Å
206	S	58.4	Low	62.3	Low	68 Å²	68	85.2 Å²	85.2	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-43	172.9	-168.2	0	0	0	0	112.3	L202 N203 L204 K209 T210	L202-S206 PolarHBondContact O-N 3.47Å; L202-S206 VanDerWaalsContact O-N 3.09Å; N203-S206 CarbonylContact O-C 3.55Å; N203-S206 WeakPolarHBondContact O-CB 3.37Å; N203-S206 PolarHBondContact O-N 2.7Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 2.79Å; S206-K209 VanDerWaalsContact O-CB 3.31Å; S206-K209 WeakPolarHBondContact O-CB 3.16Å; S206-K209 PolarHBondContact O-N 3.03Å; S206-T210 PolarHBondContact O-N 2.91Å
207	L	55.8	Low	60.9	Low	94 Å²	94	91.9 Å²	91.9	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-42.5	177.7	-171.9	78.7	0	0	0	112	N203 L204 K209 T210 L211	N203-L207 WeakPolarHBondContact O-CB 3.44Å; N203-L207 PolarHBondContact O-N 3.14Å; L204-L207 PolarHBondContact O-N 3.48Å; L204-L207 VanDerWaalsContact O-N 3.15Å; L207-K209 PolarHBondContact O-N 3.18Å; L207-T210 WeakPolarHBondContact CA-OG1 3.28Å; L207-T210 PolarHBondContact O-N 2.93Å; L207-T210 PolarHBondContact O-OG1 3.43Å; L207-L211 HydrophobicContact CD2-CD1 4.34Å; L207-L211 HydrophobicContact CG-CD1 4.07Å; L207-L211 WeakPolarHBondContact O-CB 3.37Å; L207-L211 WeakPolarHBondContact O-CG 3.42Å; L207-L211 PolarHBondContact O-N 3.39Å
208	F	58.9	Low	59.6	Low	100 Å²	100	100.1 Å²	100.1	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-40.1	172.1	-84.9	-69.7	0	0	0	110.3	L204 T210 L211 Y212	L204-F208 WeakPolarHBondContact O-CD2 3.37Å; L204-F208 PolarHBondContact O-N 3.1Å; F208-T210 PolarHBondContact O-N 3.24Å; F208-L211 PolarHBondContact O-N 3.25Å; F208-Y212 HydrophobicContact CB-CD2 4.42Å; F208-Y212 HydrophobicContact CD1-CD2 4.37Å; F208-Y212 HydrophobicContact CD1-CE2 4.06Å; F208-Y212 VanDerWaalsContact O-CB 3.32Å; F208-Y212 WeakPolarHBondContact O-CB 3.34Å; F208-Y212 VanDerWaalsContact O-CD2 3.29Å; F208-Y212 WeakPolarHBondContact O-CD2 3.41Å; F208-Y212 PolarHBondContact O-N 2.9Å
209	K	54.4	Low	58	Low	114 Å²	114	104.5 Å²	104.5	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-41.4	175.6	-167.9	178.8	-179.2	-177.2	0	112.2	N205 S206 L207 A213	N205-K209 WeakPolarHBondContact O-CB 3.3Å; N205-K209 PolarHBondContact O-N 3.35Å; S206-K209 VanDerWaalsContact O-CB 3.31Å; S206-K209 WeakPolarHBondContact O-CB 3.16Å; S206-K209 PolarHBondContact O-N 3.03Å; L207-K209 PolarHBondContact O-N 3.18Å; K209-A213 VanDerWaalsContact O-CB 3.22Å; K209-A213 WeakPolarHBondContact O-CB 3.44Å; K209-A213 PolarHBondContact O-N 2.79Å
210	T	58.3	Low	56.6	Low	68 Å²	68	99.7 Å²	99.7	42%	0.417	49%	0.492	S	S	.	.	H	α-helix	trans	-67.7	-43.5	175.6	52.9	0	0	0	0	111.8	S206 L207 F208 A213 E214	S206-T210 PolarHBondContact O-N 2.91Å; L207-T210 WeakPolarHBondContact CA-OG1 3.28Å; L207-T210 PolarHBondContact O-N 2.93Å; L207-T210 PolarHBondContact O-OG1 3.43Å; F208-T210 PolarHBondContact O-N 3.24Å; T210-A213 PolarHBondContact O-N 3.39Å; T210-E214 WeakPolarHBondContact O-CG 3.36Å; T210-E214 PolarHBondContact O-N 3.06Å
211	L	57	Low	54.9	Low	90 Å²	90	97.4 Å²	97.4	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-42.7	178.6	-72.7	167.3	0	0	0	112.4	L207 F208 E214 Y215	L207-L211 HydrophobicContact CD2-CD1 4.34Å; L207-L211 HydrophobicContact CG-CD1 4.07Å; L207-L211 WeakPolarHBondContact O-CB 3.37Å; L207-L211 WeakPolarHBondContact O-CG 3.42Å; L207-L211 PolarHBondContact O-N 3.39Å; F208-L211 PolarHBondContact O-N 3.25Å; L211-E214 PolarHBondContact O-N 3.27Å; L211-Y215 WeakPolarHBondContact O-CB 3.3Å; L211-Y215 PolarHBondContact O-N 3.24Å
212	Y	52.7	Low	53.4	Low	152 Å²	152	102.5 Å²	102.5	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-69.3	-36.8	176.5	-89.1	-76.2	0	0	0	112	F208 Y215 E216	F208-Y212 HydrophobicContact CB-CD2 4.42Å; F208-Y212 HydrophobicContact CD1-CD2 4.37Å; F208-Y212 HydrophobicContact CD1-CE2 4.06Å; F208-Y212 VanDerWaalsContact O-CB 3.32Å; F208-Y212 WeakPolarHBondContact O-CB 3.34Å; F208-Y212 VanDerWaalsContact O-CD2 3.29Å; F208-Y212 WeakPolarHBondContact O-CD2 3.41Å; F208-Y212 PolarHBondContact O-N 2.9Å; Y212-Y215 PolarHBondContact O-N 3.31Å; Y212-E216 WeakPolarHBondContact O-CB 3.06Å; Y212-E216 WeakPolarHBondContact O-CG 3.33Å; Y212-E216 PolarHBondContact O-N 2.88Å
213	A	53.3	Low	51.7	Low	51 Å²	51	105.5 Å²	105.5	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-43.4	173	0	0	0	0	0	111.6	K209 T210 Y215 E216 E217	K209-A213 VanDerWaalsContact O-CB 3.22Å; K209-A213 WeakPolarHBondContact O-CB 3.44Å; K209-A213 PolarHBondContact O-N 2.79Å; T210-A213 PolarHBondContact O-N 3.39Å; A213-Y215 VanDerWaalsContact C-N 3.3Å; A213-Y215 PolarHBondContact O-N 2.85Å; A213-E216 PolarHBondContact O-N 3.13Å; A213-E217 PolarHBondContact O-N 2.85Å
214	E	57.1	Low	50.2	Low	93 Å²	93	107.5 Å²	107.5	44%	0.435	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-33.3	173.4	-76.6	-178.4	-163	0	0	113	T210 L211 R218	T210-E214 WeakPolarHBondContact O-CG 3.36Å; T210-E214 PolarHBondContact O-N 3.06Å; L211-E214 PolarHBondContact O-N 3.27Å; E214-R218 PolarHBondContact O-N 3.35Å; E214-R218 VanDerWaalsContact O-N 3.13Å; E214-R218 PolarHBondContact O-NE 3.39Å; E214-R218 IonicContact OE2-NH2 2.69Å; E214-R218 PolarHBondContact OE2-NH2 3.07Å
215	Y	53.9	Low	48.9	Very low	123 Å²	123	110.1 Å²	110.1	48%	0.482	58%	0.581	S	S	.	*	H	α-helix	trans	-70	-43.5	175.1	-179.6	-95.2	0	0	0	111.7	L211 Y212 A213 R218 K219	L211-Y215 WeakPolarHBondContact O-CB 3.3Å; L211-Y215 PolarHBondContact O-N 3.24Å; Y212-Y215 PolarHBondContact O-N 3.31Å; A213-Y215 VanDerWaalsContact C-N 3.3Å; A213-Y215 PolarHBondContact O-N 2.85Å; Y215-R218 PolarHBondContact O-N 2.7Å; Y215-K219 HydrophobicContact CE1-CD 3.87Å; Y215-K219 PolarHBondContact O-N 3.3Å; Y215-K219 VanDerWaalsContact O-N 3.17Å; Y215-K219 WeakPolarHBondContact OH-CE 3.33Å; Y215-K219 PolarHBondContact OH-NZ 2.92Å
216	E	47.4	Very low	47.3	Very low	151 Å²	151	114.2 Å²	114.2	71%	0.706	61%	0.612	S	S	*	*	H	α-helix	trans	-61.4	-44.6	174.3	-77.1	-102.3	147	0	0	111.2	Y212 A213 R218 K219	Y212-E216 WeakPolarHBondContact O-CB 3.06Å; Y212-E216 WeakPolarHBondContact O-CG 3.33Å; Y212-E216 PolarHBondContact O-N 2.88Å; A213-E216 PolarHBondContact O-N 3.13Å; E216-R218 VanDerWaalsContact C-N 3.34Å; E216-R218 PolarHBondContact O-N 3.44Å; E216-K219 PolarHBondContact O-N 3.46Å; E216-K219 VanDerWaalsContact O-N 3.07Å
217	E	55.9	Low	45.8	Very low	162 Å²	162	116 Å²	116	76%	0.757	63%	0.625	S	S	*	*	H	α-helix	trans	-61.7	-39.7	176.2	-79.5	-173.8	175.5	0	0	112.3	A213 K219 G220	A213-E217 PolarHBondContact O-N 2.85Å; E217-K219 PolarHBondContact O-N 3.26Å; E217-G220 PolarHBondContact O-N 2.8Å
218	R	56.3	Low	44.5	Very low	190 Å²	190	116.6 Å²	116.6	72%	0.717	64%	0.637	S	S	*	*	H	α-helix	trans	-68.8	-19.4	175.5	-84.8	-173.7	-87.4	-133.6	-6	113.8	E214 Y215 E216 G220	E214-R218 PolarHBondContact O-N 3.35Å; E214-R218 VanDerWaalsContact O-N 3.13Å; E214-R218 PolarHBondContact O-NE 3.39Å; E214-R218 IonicContact OE2-NH2 2.69Å; E214-R218 PolarHBondContact OE2-NH2 3.07Å; Y215-R218 PolarHBondContact O-N 2.7Å; E216-R218 VanDerWaalsContact C-N 3.34Å; E216-R218 PolarHBondContact O-N 3.44Å; R218-G220 VanDerWaalsContact C-N 3.25Å; R218-G220 PolarHBondContact O-N 2.85Å
219	K	46.7	Very low	43	Very low	131 Å²	131	116.9 Å²	116.9	57%	0.57	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	21.5	176.4	-100.4	-169.8	173.9	175.5	0	114	Y215 E216 E217 V221	Y215-K219 HydrophobicContact CE1-CD 3.87Å; Y215-K219 PolarHBondContact O-N 3.3Å; Y215-K219 VanDerWaalsContact O-N 3.17Å; Y215-K219 WeakPolarHBondContact OH-CE 3.33Å; Y215-K219 PolarHBondContact OH-NZ 2.92Å; E216-K219 PolarHBondContact O-N 3.46Å; E216-K219 VanDerWaalsContact O-N 3.07Å; E217-K219 PolarHBondContact O-N 3.26Å; K219-V221 VanDerWaalsContact O-CG2 3.31Å; K219-V221 WeakPolarHBondContact O-CG2 3.32Å; K219-V221 PolarHBondContact O-N 3.25Å
220	G	42.6	Very low	41.6	Very low	67 Å²	67	119.8 Å²	119.8	69%	0.691	67%	0.671	S	S	*	*			trans	-52.2	76	162.3	0	0	0	0	0	113.9	E217 R218	E217-G220 PolarHBondContact O-N 2.8Å; R218-G220 VanDerWaalsContact C-N 3.25Å; R218-G220 PolarHBondContact O-N 2.85Å
221	V	33.4	Very low	40.2	Very low	121 Å²	121	122.4 Å²	122.4	73%	0.733	69%	0.689	S	S	*	*			trans	-7.3	112.4	164.7	-169.2	0	0	0	0	117.8	K219	K219-V221 VanDerWaalsContact O-CG2 3.31Å; K219-V221 WeakPolarHBondContact O-CG2 3.32Å; K219-V221 PolarHBondContact O-N 3.25Å
222	P	35.2	Very low	38.6	Very low	121 Å²	121	123.2 Å²	123.2	79%	0.786	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-82.2	126	147.9	-7.3	25.2	0	0	0	109.6	L224	P222-L224 PolarHBondContact O-N 3.3Å
223	S	31	Very low	37.2	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-49.2	124.4	180	29.5	0	0	0	0	113.7	P225	S223-P225 WeakPolarHBondContact O-CD 3.26Å
224	L	28.1	Very low	35.8	Very low	162 Å²	162	125.2 Å²	125.2	85%	0.848	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-71.1	119.9	174.1	-148	78.9	0	0	0	109.8	P222 S226	P222-L224 PolarHBondContact O-N 3.3Å; L224-S226 PolarHBondContact O-N 2.79Å
225	P	31.4	Very low	34.1	Very low	120 Å²	120	126.2 Å²	126.2	78%	0.779	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-73.6	125.4	167	-2.1	18.5	0	0	0	108.5	S223	S223-P225 WeakPolarHBondContact O-CD 3.26Å
226	S	26	Very low	32.7	Very low	109 Å²	109	126.1 Å²	126.1	76%	0.762	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-63.8	133.3	171.2	-23.8	0	0	0	0	109.5	L224	L224-S226 PolarHBondContact O-N 2.79Å
227	S	27.3	Very low	31.5	Very low	107 Å²	107	124.4 Å²	124.4	75%	0.748	76%	0.759	S	S	*	*				137.7	133.2	127	67.4	0	0	0	0	115.8
228	S	27.5	Very low	29.8	Very low	106 Å²	106	126.1 Å²	126.1	74%	0.741	77%	0.765	S	S	*	*			trans	95.8	117.8	139.6	71.2	0	0	0	0	120.7
229	S	28.6	Very low	28.3	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	77%	0.767	S	S	*	*			trans	71.3	102.8	146.3	47.7	0	0	0	0	119.9
230	L	23.7	Very low	27	Very low	174 Å²	174	121.2 Å²	121.2	91%	0.911	78%	0.776	S	S	*	*			trans	-53.8	139.6	147.8	-82.4	74.4	0	0	0	111
231	P	28.4	Very low	26.1	Very low	123 Å²	123	125.8 Å²	125.8	80%	0.799	78%	0.783	S	S	*	*			trans	-113.8	140.1	144	13	7.2	0	0	0	111.1
232	S	25.1	Very low	25.5	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	78%	0.779	S	S	*	*			trans	-63.4	139.3	179.6	10.3	0	0	0	0	114.1
233	S	22.6	Very low	24.8	Very low	108 Å²	108	123.5 Å²	123.5	76%	0.755	78%	0.776	S	S	*	*			trans	34.1	114.1	138.6	64	0	0	0	0	119.2
234	T	23.9	Very low	24.3	Very low	137 Å²	137	124 Å²	124	84%	0.84	78%	0.775	S	S	*	*			trans	-143.9	115.4	143.6	18.9	0	0	0	0	110.3
235	S	22.2	Very low	24.1	Very low	114 Å²	114	122.4 Å²	122.4	80%	0.797	77%	0.767	S	S	*	*			trans	-70.2	129.9	163.6	49	0	0	0	0	111.2
236	T	24.2	Very low	23.6	Very low	121 Å²	121	123.1 Å²	123.1	74%	0.742	76%	0.764	S	S	*	*			trans	-163.5	95.1	158.7	6	0	0	0	0	108
237	T	20.8	Very low	23.4	Very low	115 Å²	115	126.2 Å²	126.2	71%	0.706	77%	0.766	S	S	*	*				48.4	114.7	102.7	44	0	0	0	0	117.1
238	K	21	Very low	23.1	Very low	199 Å²	199	129 Å²	129	87%	0.865	77%	0.768	S	S	*	*			trans	54.7	113.7	132.2	-68.4	179.8	174.5	178.9	0	119
239	S	23.7	Very low	22.7	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	77%	0.771	S	S	*	*			trans	-176.5	106	134.5	48.7	0	0	0	0	107.7
240	S	20.9	Very low	22.4	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	77%	0.773	S	S	*	*				46.8	101.8	82.1	71	0	0	0	0	114.1
241	L	23.2	Very low	22.3	Very low	163 Å²	163	133.2 Å²	133.2	85%	0.853	77%	0.765	S	S	*	*			trans	-173.2	97.4	150	-124.8	65.1	0	0	0	105.8
242	S	20.6	Very low	22.3	Very low	91 Å²	91	134.8 Å²	134.8	64%	0.636	77%	0.767	S	S	*	*				49.1	94.4	92.1	74	0	0	0	0	111.4
243	S	19.7	Very low	22.4	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	77%	0.772	S	S	*	*				67.4	109.6	93.6	68.3	0	0	0	0	113
244	T	22.4	Very low	22.8	Very low	123 Å²	123	141 Å²	141	76%	0.755	78%	0.778	S	S	*	*			trans	176.9	119	139.5	34.3	0	0	0	0	107.2
245	D	22.2	Very low	23	Very low	128 Å²	128	142 Å²	142	68%	0.684	78%	0.778	S	S	*	*				86	103.6	114.5	-73.2	-39.3	0	0	0	112.3
246	N	21.3	Very low	23.2	Very low	134 Å²	134	144.4 Å²	144.4	72%	0.717	78%	0.781	S	S	*	*				96.3	136.6	77.6	-95.3	-35.3	0	0	0	110.4
247	Q	22.1	Very low	23.2	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	79%	0.785	S	S	*	*			trans	73.9	140.8	163.3	-69.2	171.7	-19.9	0	0	115.6
248	E	21.6	Very low	23.4	Very low	167 Å²	167	146.8 Å²	146.8	78%	0.78	79%	0.789	S	S	*	*			cis	-172	158.9	3.8	169.6	168.1	-173.1	0	0	106.9
249	Y	18.1	Very low	23.6	Very low	206 Å²	206	144.8 Å²	144.8	81%	0.808	79%	0.786	S	S	*	*			trans	-43.2	140.8	-178.3	-93	-111	0	0	0	116.4
250	T	23.3	Very low	23.6	Very low	127 Å²	127	147.6 Å²	147.6	78%	0.779	79%	0.789	S	S	*	*			trans	-142.7	121.4	146.6	53.3	0	0	0	0	110.3
251	D	20.7	Very low	23.8	Very low	140 Å²	140	150.1 Å²	150.1	75%	0.749	79%	0.794	S	S	*	*			trans	-56.4	134.3	172.1	-63.4	-52.6	0	0	0	111.6
252	N	29.1	Very low	23.9	Very low	156 Å²	156	152.8 Å²	152.8	83%	0.834	79%	0.792	S	S	*	*			trans	-138	109.9	158.2	-87.2	-34.2	0	0	0	108.1	D254	N252-D254 PolarHBondContact O-N 2.92Å
253	E	27.6	Very low	24.2	Very low	185 Å²	185	160.1 Å²	160.1	86%	0.864	81%	0.806	S	S	*	*			trans	-62.1	118.8	165.2	-66.2	174.8	147.8	0	0	108.6
254	D	30.3	Very low	24.7	Very low	162 Å²	162	160.2 Å²	160.2	87%	0.866	80%	0.803	S	S	*	*			trans	-153.7	89.7	154.5	-94.7	-36	0	0	0	107.7	N252 N256	N252-D254 PolarHBondContact O-N 2.92Å; D254-N256 PolarHBondContact O-N 3.27Å
255	D	27.1	Very low	25.1	Very low	158 Å²	158	158.3 Å²	158.3	85%	0.845	79%	0.794	S	S	*	*			trans	-61.4	98.9	175.3	-79.5	-39.4	0	0	0	110.6
256	N	26.6	Very low	25.7	Very low	163 Å²	163	157.8 Å²	157.8	87%	0.872	80%	0.795	S	S	*	*			trans	-159.7	63.4	158	-89.8	-39.9	0	0	0	110.7	D254	D254-N256 PolarHBondContact O-N 3.27Å
257	V	26	Very low	26.7	Very low	137 Å²	137	156.7 Å²	156.7	83%	0.83	79%	0.79	S	S	*	*			trans	-116.4	105.6	166.5	-177	0	0	0	0	109.6	I259	V257-I259 PolarHBondContact O-N 2.7Å
258	I	25	Very low	27.8	Very low	150 Å²	150	154.2 Å²	154.2	77%	0.769	78%	0.782	S	S	*	*			trans	-41.8	121.6	169.7	-66.4	164.5	0	0	0	109.6	M260	I258-M260 VanDerWaalsContact C-N 3.27Å; I258-M260 PolarHBondContact O-N 2.89Å
259	I	23.2	Very low	28.4	Very low	157 Å²	157	155.5 Å²	155.5	81%	0.805	78%	0.784	S	S	*	*			trans	-62.9	84.9	179.7	-58.4	166.4	0	0	0	108.9	V257 N261	V257-I259 PolarHBondContact O-N 2.7Å; I259-N261 PolarHBondContact O-N 3.22Å
260	M	24.9	Very low	29.8	Very low	168 Å²	168	150 Å²	150	83%	0.828	77%	0.772	S	S	*	*			trans	-75.3	111.6	162.9	-78.6	-82.7	-101.7	0	0	107.1	I258 R262	I258-M260 VanDerWaalsContact C-N 3.27Å; I258-M260 PolarHBondContact O-N 2.89Å; M260-R262 PolarHBondContact O-N 3.4Å
261	N	24	Very low	30.1	Very low	160 Å²	160	150.4 Å²	150.4	86%	0.856	76%	0.761	S	S	*	*			trans	-54.4	79.4	170.9	-87.4	-39.5	0	0	0	111.3	I259	I259-N261 PolarHBondContact O-N 3.22Å
262	R	25.4	Very low	31.1	Very low	220 Å²	220	148.9 Å²	148.9	83%	0.83	75%	0.752	S	S	*	*			trans	-99.2	105.7	152	-116.5	178.4	-176	167.8	2.3	105.7	M260 T264	M260-R262 PolarHBondContact O-N 3.4Å; R262-T264 HydrophobicContact CB-CG2 4.42Å; R262-T264 PolarHBondContact O-N 3.42Å
263	R	27.5	Very low	31.3	Very low	245 Å²	245	147 Å²	147	93%	0.925	74%	0.741	S	S	*	*			trans	-54.5	88.9	151.4	-73.2	179.6	-171.1	164.2	2.8	106	S265	R263-S265 PolarHBondContact O-N 2.92Å
264	T	29.9	Very low	31.5	Very low	105 Å²	105	147 Å²	147	64%	0.644	74%	0.739	S	S	*	*			trans	-69.6	86.7	162.5	43.5	0	0	0	0	104.9	R262 T266	R262-T264 HydrophobicContact CB-CG2 4.42Å; R262-T264 PolarHBondContact O-N 3.42Å; T264-T266 PolarHBondContact O-N 2.94Å
265	S	30.9	Very low	31.4	Very low	82 Å²	82	145.9 Å²	145.9	57%	0.573	73%	0.73	S	S	*	*			trans	-58.4	93	152.9	176	0	0	0	0	105.3	R263 D267 L268	R263-S265 PolarHBondContact O-N 2.92Å; S265-D267 PolarHBondContact O-N 2.88Å; S265-L268 PolarHBondContact O-N 3.42Å
266	T	34.3	Very low	32.1	Very low	117 Å²	117	144.5 Å²	144.5	72%	0.718	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	8.1	173.2	30	0	0	0	0	112.6	T264	T264-T266 PolarHBondContact O-N 2.94Å
267	D	42.2	Very low	32.5	Very low	112 Å²	112	143.2 Å²	143.2	60%	0.599	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	5.9	175.2	-70.5	-36.8	0	0	0	114.4	S265 K269 Y271	S265-D267 PolarHBondContact O-N 2.88Å; D267-K269 VanDerWaalsContact C-N 3.29Å; D267-Y271 PolarHBondContact O-N 3.44Å
268	L	45.2	Very low	32.9	Very low	122 Å²	122	146.4 Å²	146.4	64%	0.639	72%	0.721	S	S	*	*	S	Bend	trans	-73	-24.1	173.1	-166.9	65.6	0	0	0	112.6	S265 Y271	S265-L268 PolarHBondContact O-N 3.42Å; L268-Y271 HydrophobicContact CD1-CD1 4.26Å; L268-Y271 PolarHBondContact O-N 2.93Å
269	K	35.8	Very low	33.3	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-24.8	-179.7	-168.3	159.3	-179.3	172.7	0	112.9	D267 Y271	D267-K269 VanDerWaalsContact C-N 3.29Å; K269-Y271 VanDerWaalsContact C-N 3.33Å
270	T	46.5	Very low	33.8	Very low	91 Å²	91	143.1 Å²	143.1	56%	0.558	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-18.8	170	-24.8	0	0	0	0	111.5
271	Y	29.1	Very low	34	Very low	136 Å²	136	144.3 Å²	144.3	53%	0.533	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-15.7	-166.1	-176.1	-110.2	0	0	0	115.3	L149 D267 L268 K269	L149-Y271 HydrophobicContact CD1-CE1 4.38Å; D267-Y271 PolarHBondContact O-N 3.44Å; L268-Y271 HydrophobicContact CD1-CD1 4.26Å; L268-Y271 PolarHBondContact O-N 2.93Å; K269-Y271 VanDerWaalsContact C-N 3.33Å
272	I	42.2	Very low	34.3	Very low	108 Å²	108	144.7 Å²	144.7	55%	0.554	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	61.2	166.1	-42.8	178.1	0	0	0	108.6	K274	I272-K274 HydrophobicContact CG2-CG 3.92Å; I272-K274 WeakPolarHBondContact O-CB 3.39Å; I272-K274 WeakPolarHBondContact O-CG 3.47Å; I272-K274 PolarHBondContact O-N 2.78Å
273	D	33.3	Very low	34.6	Very low	115 Å²	115	141.2 Å²	141.2	62%	0.615	71%	0.708	S	S	*	*			trans	-34.9	95.3	158.5	-82	-31.5	0	0	0	109.4	M275	D273-M275 HydrophobicContact CB-CB 4.3Å; D273-M275 HydrophobicContact CB-CG 4.45Å
274	K	33.1	Very low	34.6	Very low	187 Å²	187	137.4 Å²	137.4	81%	0.813	70%	0.698	S	S	*	*			trans	-109.4	52.9	178.3	-90.8	-173.9	174.2	-174.6	0	106.2	I272	I272-K274 HydrophobicContact CG2-CG 3.92Å; I272-K274 WeakPolarHBondContact O-CB 3.39Å; I272-K274 WeakPolarHBondContact O-CG 3.47Å; I272-K274 PolarHBondContact O-N 2.78Å
275	M	27.7	Very low	34.4	Very low	137 Å²	137	137.6 Å²	137.6	68%	0.675	70%	0.703	S	S	*	*				0.1	100.8	64.6	-60.8	-71.2	-136.8	0	0	115.5	D273	D273-M275 HydrophobicContact CB-CB 4.3Å; D273-M275 HydrophobicContact CB-CG 4.45Å
276	N	42.2	Very low	34.7	Very low	130 Å²	130	138.4 Å²	138.4	70%	0.695	71%	0.707	S	S	*	*			cis	179	78.6	21.9	-91.6	-38.8	0	0	0	106.2
277	D	33.7	Very low	34.6	Very low	135 Å²	135	143.9 Å²	143.9	72%	0.722	72%	0.716	S	S	*	*			trans	-142.2	77.6	167.1	-144.1	-9.6	0	0	0	109.5	S279	D277-S279 PolarHBondContact O-N 3.5Å
278	E	35.4	Very low	34.3	Very low	205 Å²	205	143.3 Å²	143.3	96%	0.958	72%	0.721	S	S	*	*			trans	-72.1	67	166.6	-75.5	-164.9	148.3	0	0	110
279	S	32.7	Very low	33.7	Very low	81 Å²	81	144.5 Å²	144.5	57%	0.566	73%	0.728	S	S	*	*			trans	178.6	111.7	153.2	52	0	0	0	0	107.7	D277	D277-S279 PolarHBondContact O-N 3.5Å
280	I	35	Very low	34	Very low	157 Å²	157	142.5 Å²	142.5	81%	0.805	73%	0.726	S	S	*	*			trans	-179.9	112.4	139	-86.7	146.4	0	0	0	105.9
281	F	28.8	Very low	33.9	Very low	192 Å²	192	146 Å²	146	84%	0.842	74%	0.736	S	S	*	*			trans	-56.2	138.6	171.1	-81.7	-113.6	0	0	0	110.8
282	D	30.5	Very low	34.6	Very low	169 Å²	169	146.4 Å²	146.4	90%	0.904	75%	0.747	S	S	*	*				-153.9	130.4	125.4	-96.3	-31.2	0	0	0	110.6
283	E	31.2	Very low	35.2	Very low	147 Å²	147	144 Å²	144	69%	0.687	74%	0.739	S	S	*	*			trans	-79.2	140.3	-167.9	-164	-175.4	156.6	0	0	111.8
284	K	26.2	Very low	36.9	Very low	165 Å²	165	144.6 Å²	144.6	72%	0.717	74%	0.737	S	S	*	*			trans	64.4	106.8	159.7	-82.1	167.1	-174	138	0	119.4
285	S	27.4	Very low	39.1	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	72%	0.716	S	S	*	*			trans	-126.7	98.5	130.1	176	0	0	0	0	109.1
286	P	36	Very low	41.7	Very low	100 Å²	100	135.3 Å²	135.3	65%	0.649	70%	0.696	S	S	*	*			trans	-83.5	113.6	166.8	27.6	-18.5	0	0	0	108.3	S288	P286-S288 PolarHBondContact O-N 2.9Å; P286-S288 VanDerWaalsContact O-N 3.11Å
287	Y	33.2	Very low	43.6	Very low	232 Å²	232	133.6 Å²	133.6	91%	0.91	69%	0.686	S	S	*	*			trans	21	78.4	160.6	-82.5	-92.4	0	0	0	115.3	N289	Y287-N289 PolarHBondContact O-N 3.44Å
288	S	34.5	Very low	46.1	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	66%	0.656	S	S	*	*			trans	-85.7	96.1	163.6	64.1	0	0	0	0	108.6	P286	P286-S288 PolarHBondContact O-N 2.9Å; P286-S288 VanDerWaalsContact O-N 3.11Å
289	N	33.4	Very low	48.3	Very low	146 Å²	146	123.7 Å²	123.7	78%	0.781	64%	0.64	S	S	*	*	S	Bend	trans	36.5	115.8	150	-59.5	-28.6	0	0	0	117.5	Y287	Y287-N289 PolarHBondContact O-N 3.44Å
290	D	41.3	Very low	50.4	Low	151 Å²	151	122.8 Å²	122.8	81%	0.807	64%	0.638	S	S	*	*			trans	32.1	95.6	150.6	-80.2	-23.2	0	0	0	113.5	L292	D290-L292 PolarHBondContact O-N 3.12Å
291	E	45.3	Very low	52.3	Low	165 Å²	165	117.3 Å²	117.3	77%	0.771	61%	0.61	S	S	*	*			trans	-59	77.7	149.8	-169.3	174.4	-163.7	0	0	106.1	S293	E291-S293 WeakPolarHBondContact O-CA 3.39Å; E291-S293 PolarHBondContact O-N 3.4Å
292	L	44.6	Very low	55	Low	144 Å²	144	110.6 Å²	110.6	75%	0.754	58%	0.581	S	S	*	*			trans	-47.6	109.2	175.6	178.6	73	0	0	0	103.6	D290 K294	D290-L292 PolarHBondContact O-N 3.12Å; L292-K294 PolarHBondContact O-N 3.19Å; L292-K294 VanDerWaalsContact O-N 3.11Å
293	S	53.6	Low	57.7	Low	57 Å²	57	102.8 Å²	102.8	40%	0.399	54%	0.539	S	S	.	.			trans	-44.3	125.4	-166.2	50.9	0	0	0	0	108.4	E291 E295	E291-S293 WeakPolarHBondContact O-CA 3.39Å; E291-S293 PolarHBondContact O-N 3.4Å; S293-E295 PolarHBondContact O-N 2.03Å; S293-E295 VanDerWaalsContact O-O 3.13Å; S293-E295 PolarHBondContact OG-O 2.04Å
294	K	69.7	Low	60.6	Low	128 Å²	128	95.8 Å²	95.8	56%	0.557	51%	0.507	S	S	*	.	S	Bend	trans	-62.6	8.9	176.5	-65.9	-179.3	-178.5	176.3	0	112.8	L189 R190 L292	L189-K294 CarbonylContact C-O 3.59Å; L189-K294 WeakPolarHBondContact CA-O 3.09Å; R190-K294 PolarHBondContact N-O 3.17Å; L292-K294 PolarHBondContact O-N 3.19Å; L292-K294 VanDerWaalsContact O-N 3.11Å
295	E	79.8	Confident	63.7	Low	83 Å²	83	88 Å²	88	39%	0.388	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.2	178.5	-60.9	178.8	-173.9	0	0	109	R190 S192 S293 I297	R190-E295 HydrophobicContact CB-CG 4.5Å; R190-E295 CarbonylContact O-C 3.5Å; R190-E295 VanDerWaalsContact O-CA 3.32Å; R190-E295 WeakPolarHBondContact O-CA 3.37Å; S192-E295 WeakPolarHBondContact CA-OE2 3.47Å; S192-E295 WeakPolarHBondContact CB-OE2 3.04Å; S192-E295 PolarHBondContact OG-OE2 3.37Å; S293-E295 PolarHBondContact O-N 2.03Å; S293-E295 VanDerWaalsContact O-O 3.13Å; S293-E295 PolarHBondContact OG-O 2.04Å; E295-I297 PolarHBondContact O-N 3.17Å
296	L	82.3	Confident	66.7	Low	47 Å²	47	83.8 Å²	83.8	25%	0.246	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.6	170.1	-179.2	64.4	0	0	0	108.8	R190 S192 P313	R190-L296 PolarHBondContact O-N 3.31Å; S192-L296 WeakPolarHBondContact CB-O 3.42Å; S192-L296 PolarHBondContact N-O 3.06Å; L296-P313 HydrophobicContact CB-CB 4.06Å; L296-P313 HydrophobicContact CB-CG 4.05Å; L296-P313 HydrophobicContact CD2-CB 3.82Å; L296-P313 HydrophobicContact CD2-CG 4.17Å
297	I	81.3	Confident	69.2	Low	94 Å²	94	81.5 Å²	81.5	48%	0.482	42%	0.42	S	S	.	.			trans	-95.2	127.9	167.2	-57.6	170.9	0	0	0	107.4	S195 E295	S195-I297 WeakPolarHBondContact OG-CA 3.38Å; E295-I297 PolarHBondContact O-N 3.17Å
298	C	85.6	Confident	71.7	Confident	14 Å²	14	71.1 Å²	71.1	10%	0.095	38%	0.38	C	S	.	.			trans	-94.2	159.6	178.7	-62.6	0	0	0	0	111.7	S195 E302 C304 C315	S195-C298 PolarHBondContact OG-N 3.41Å; C298-E302 HydrophobicContact CB-CB 3.72Å; C298-E302 WeakPolarHBondContact CB-O 3.48Å; C298-C304 VanDerWaalsContact SG-CB 3.6Å; C298-C315 WeakPolarHBondContact CA-SG 3.38Å; C298-C315 HydrophobicContact CB-CB 3.75Å; C298-C315 WeakPolarHBondContact CB-SG 3.02Å; C298-C315 WeakPolarHBondContact SG-CA 3.45Å; C298-C315 WeakPolarHBondContact SG-CB 3.45Å; C298-C315 CovalentContact SG-SG 2.03Å; C298-C315 PolarHBondContact SG-SG 3.27Å
299	N	83	Confident	74.2	Confident	117 Å²	117	67.8 Å²	67.8	63%	0.626	35%	0.353	S	S	*	.			trans	-72.9	175.3	177.8	-56.1	-61	0	0	0	111.4	N301 E302	N299-N301 PolarHBondContact O-N 2.73Å; N299-E302 WeakPolarHBondContact CB-OE2 3.34Å; N299-E302 PolarHBondContact N-OE2 3.08Å; N299-E302 PolarHBondContact ND2-OE2 3.17Å; N299-E302 WeakPolarHBondContact O-CB 3.4Å; N299-E302 PolarHBondContact O-N 2.82Å
300	A	75.1	Confident	76.6	Confident	63 Å²	63	61.6 Å²	61.6	52%	0.521	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	133.8	175.4	0	0	0	0	0	111.8	E302	A300-E302 PolarHBondContact O-N 3.49Å
301	N	75.3	Confident	78.8	Confident	41 Å²	41	54.6 Å²	54.6	22%	0.219	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	15.9	-174.9	-48.6	-55.2	0	0	0	115	N299 Y317 W318	N299-N301 PolarHBondContact O-N 2.73Å; N301-Y317 HydrophobicContact CB-CD2 4.02Å; N301-Y317 HydrophobicContact CB-CE2 3.55Å; N301-Y317 CarbonylContact O-C 3.44Å; N301-Y317 WeakPolarHBondContact O-CA 3.45Å; N301-Y317 WeakPolarHBondContact O-CD2 3.3Å; N301-W318 PolarHBondContact O-N 2.96Å; N301-W318 VanDerWaalsContact O-O 3.08Å
302	E	85.2	Confident	80.8	Confident	52 Å²	52	50.7 Å²	50.7	24%	0.243	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.1	169.2	-64.7	-178.1	151.9	0	0	110	C298 N299 A300 C315 E316 Y317	C298-E302 HydrophobicContact CB-CB 3.72Å; C298-E302 WeakPolarHBondContact CB-O 3.48Å; N299-E302 WeakPolarHBondContact CB-OE2 3.34Å; N299-E302 PolarHBondContact N-OE2 3.08Å; N299-E302 PolarHBondContact ND2-OE2 3.17Å; N299-E302 WeakPolarHBondContact O-CB 3.4Å; N299-E302 PolarHBondContact O-N 2.82Å; A300-E302 PolarHBondContact O-N 3.49Å; E302-C315 HydrophobicContact CB-CB 4.14Å; E302-E316 WeakPolarHBondContact CA-O 3.31Å; E302-Y317 HydrophobicContact CG-CD2 4.4Å
303	Y	88.3	Confident	82.9	Confident	5 Å²	5	44.7 Å²	44.7	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.8	179.3	-57.5	-87.3	0	0	0	109.9	S195 L197 L202 N205 E316 W318	S195-Y303 CarbonylContact O-C 3.59Å; S195-Y303 VanDerWaalsContact O-CA 3.28Å; S195-Y303 WeakPolarHBondContact O-CA 3.48Å; L197-Y303 VanDerWaalsContact CA-CD1 3.43Å; L197-Y303 HydrophobicContact CB-CD1 3.72Å; L197-Y303 HydrophobicContact CB-CE1 4.18Å; L197-Y303 HydrophobicContact CB-CG 3.95Å; L197-Y303 HydrophobicContact CD1-CD1 3.9Å; L197-Y303 HydrophobicContact CD1-CD2 4.18Å; L197-Y303 HydrophobicContact CD1-CE1 3.53Å; L197-Y303 HydrophobicContact CD1-CE2 3.86Å; L197-Y303 HydrophobicContact CD1-CG 4.19Å; L197-Y303 VanDerWaalsContact CD1-CZ 3.5Å; L197-Y303 HydrophobicContact CG-CD1 4.42Å; L197-Y303 HydrophobicContact CG-CE1 4.47Å; L202-Y303 WeakPolarHBondContact CD2-OH 3.38Å; N205-Y303 PolarHBondContact ND2-OH 3.23Å; Y303-E316 PolarHBondContact N-O 3.34Å; Y303-E316 PolarHBondContact O-N 3.29Å; Y303-W318 HydrophobicContact CD2-CB 3.64Å; Y303-W318 HydrophobicContact CD2-CG 4.45Å; Y303-W318 HydrophobicContact CE2-CB 3.74Å; Y303-W318 HydrophobicContact CE2-CG 4.31Å
304	C	90.7	Very high	84.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.4	-178	-174.8	0	0	0	0	111	C191 S195 C298 P313 S314	C191-C304 WeakPolarHBondContact CA-SG 3.48Å; C191-C304 HydrophobicContact CB-CB 3.51Å; C191-C304 WeakPolarHBondContact CB-SG 3.34Å; C191-C304 WeakPolarHBondContact SG-CB 3.45Å; C191-C304 CovalentContact SG-SG 2.04Å; C191-C304 PolarHBondContact SG-SG 3.29Å; S195-C304 PolarHBondContact O-N 3.09Å; C298-C304 VanDerWaalsContact SG-CB 3.6Å; C304-P313 VanDerWaalsContact SG-CB 3.51Å; C304-S314 WeakPolarHBondContact CA-O 3.23Å
305	L	91.3	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.6	165.4	59.5	77.7	0	0	0	111.1	C191 P313 S314 E316 L357 E362 F449	C191-L305 PolarHBondContact SG-N 2.92Å; C191-L305 VanDerWaalsContact SG-N 3.38Å; L305-P313 CarbonylContact O-C 3.13Å; L305-P313 WeakPolarHBondContact O-CA 3.29Å; L305-S314 PolarHBondContact N-O 3.37Å; L305-S314 PolarHBondContact O-N 2.99Å; L305-E316 HydrophobicContact CD2-CG 4.3Å; L305-E316 HydrophobicContact CG-CG 4.42Å; L305-L357 HydrophobicContact CD2-CD2 3.58Å; L305-L357 HydrophobicContact CD2-CG 4.16Å; L305-L357 HydrophobicContact CG-CD2 4.36Å; L305-E362 HydrophobicContact CD1-CB 3.86Å; L305-F449 HydrophobicContact CD1-CE2 4.47Å; L305-F449 HydrophobicContact CD2-CE2 3.85Å; L305-F449 HydrophobicContact CD2-CZ 3.97Å
306	L	90.4	Very high	85.8	Confident	20 Å²	20	35.8 Å²	35.8	11%	0.105	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.2	171.6	-61.4	179.3	0	0	0	110.3	P313 Q360 L361 E362	L306-P313 HydrophobicContact CD2-CB 4.05Å; L306-Q360 PolarHBondContact N-O 3.06Å; L306-L361 HydrophobicContact CB-CD1 3.9Å; L306-E362 WeakPolarHBondContact O-CB 3.41Å; L306-E362 PolarHBondContact O-N 2.76Å
307	R	89.6	Confident	85.8	Confident	52 Å²	52	38.5 Å²	38.5	20%	0.196	20%	0.198	C	C	.	.			trans	-75.6	139.3	174.7	-66.2	-64.2	-164	172.5	0.1	110.9	F309 D310 G311 R312 S314 E316 E362	R307-F309 VanDerWaalsContact C-N 3.27Å; R307-F309 PolarHBondContact O-N 3.08Å; R307-D310 WeakPolarHBondContact CB-OD1 3.42Å; R307-G311 WeakPolarHBondContact O-CA 3.05Å; R307-G311 PolarHBondContact O-N 3.34Å; R307-R312 PolarHBondContact N-O 2.67Å; R307-S314 VanDerWaalsContact NE-CB 3.31Å; R307-S314 PolarHBondContact NE-OG 3.31Å; R307-S314 PolarHBondContact NH2-OG 3.27Å; R307-S314 VanDerWaalsContact NH2-OG 3.15Å; R307-E316 IonicContact CZ-OE1 3.71Å; R307-E316 IonicContact NH1-OE1 3.56Å; R307-E316 PolarHBondContact NH1-OE1 3.09Å; R307-E316 IonicContact NH2-OE1 2.81Å; R307-E316 PolarHBondContact NH2-OE1 3.23Å; R307-E362 WeakPolarHBondContact CA-OE2 3.27Å; R307-E362 WeakPolarHBondContact CD-OE2 3.38Å; R307-E362 IonicContact NH1-OE1 2.7Å; R307-E362 PolarHBondContact NH1-OE1 3.05Å
308	Q	86.6	Confident	85.6	Confident	14 Å²	14	35 Å²	35	7%	0.065	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.1	176.2	-63.6	-150.1	21.4	0	0	113.1	E362 R364 L493	Q308-E362 HydrophobicContact CG-CB 4.07Å; Q308-E362 HydrophobicContact CG-CG 4.42Å; Q308-E362 WeakPolarHBondContact CG-O 3.41Å; Q308-E362 PolarHBondContact N-OE2 2.04Å; Q308-E362 PolarHBondContact NE2-O 2.91Å; Q308-R364 HydrophobicContact CB-CG 4.11Å; Q308-R364 HydrophobicContact CG-CG 4.08Å; Q308-R364 PolarHBondContact O-NH2 2.76Å; Q308-R364 VanDerWaalsContact OE1-CG 3.23Å; Q308-L493 HydrophobicContact CB-CD2 4.34Å; Q308-L493 HydrophobicContact CG-CD2 4.24Å
309	F	85	Confident	84.9	Confident	31 Å²	31	35.8 Å²	35.8	14%	0.136	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-55.4	-177.5	175.9	-103.8	0	0	0	112.4	R307 W454 K455 W463 T477	R307-F309 VanDerWaalsContact C-N 3.27Å; R307-F309 PolarHBondContact O-N 3.08Å; F309-W454 HydrophobicContact CD2-CE3 4.03Å; F309-W454 HydrophobicContact CD2-CZ3 4.13Å; F309-W454 HydrophobicContact CE2-CD2 4.17Å; F309-W454 AromaticContact CE2-CE3 3.97Å; F309-W454 HydrophobicContact CE2-CE3 3.97Å; F309-W454 HydrophobicContact CE2-CZ3 4.2Å; F309-K455 HydrophobicContact CE2-CB 4.48Å; F309-K455 HydrophobicContact CZ-CB 4.32Å; F309-W463 HydrophobicContact CD1-CH2 4.18Å; F309-W463 HydrophobicContact CD1-CZ2 4.21Å; F309-W463 AromaticContact CE1-CH2 3.67Å; F309-W463 HydrophobicContact CE1-CH2 3.67Å; F309-W463 AromaticContact CE1-CZ2 3.6Å; F309-W463 HydrophobicContact CE1-CZ2 3.6Å; F309-W463 HydrophobicContact CE2-CH2 4.37Å; F309-W463 AromaticContact CZ-CH2 3.77Å; F309-W463 HydrophobicContact CZ-CH2 3.77Å; F309-W463 HydrophobicContact CZ-CZ2 4.08Å; F309-T477 VanDerWaalsContact O-CB 3.25Å; F309-T477 WeakPolarHBondContact O-CB 3.43Å; F309-T477 PolarHBondContact O-OG1 3.01Å
310	D	85.3	Confident	84	Confident	15 Å²	15	35.8 Å²	35.8	8%	0.08	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-4.9	-176.5	60.5	4.6	0	0	0	113.4	R307 R312 W463 P464 T477	R307-D310 WeakPolarHBondContact CB-OD1 3.42Å; D310-R312 HydrophobicContact CB-CG 4.33Å; D310-R312 PolarHBondContact O-N 3.01Å; D310-R312 WeakPolarHBondContact OD1-CB 3.35Å; D310-R312 PolarHBondContact OD1-N 3.2Å; D310-W463 HydrophobicContact CB-CD2 3.7Å; D310-W463 VanDerWaalsContact CB-CE2 3.41Å; D310-W463 HydrophobicContact CB-CE3 4.25Å; D310-W463 HydrophobicContact CB-CG 4.1Å; D310-W463 HydrophobicContact CB-CH2 4.22Å; D310-W463 HydrophobicContact CB-CZ2 3.72Å; D310-W463 HydrophobicContact CB-CZ3 4.48Å; D310-P464 WeakPolarHBondContact O-CD 3.42Å; D310-T477 WeakPolarHBondContact CA-OG1 2.99Å
311	G	87.1	Confident	83.3	Confident	5 Å²	5	39 Å²	39	5%	0.052	18%	0.183	C	C	.	.			trans	74.2	2.9	-177.9	0	0	0	0	0	113.5	R307 P464 T477	R307-G311 WeakPolarHBondContact O-CA 3.05Å; R307-G311 PolarHBondContact O-N 3.34Å; G311-P464 VanDerWaalsContact O-CG 3.26Å; G311-P464 WeakPolarHBondContact O-CG 3.4Å; G311-T477 VanDerWaalsContact N-CG2 3.3Å
312	R	86.7	Confident	82.4	Confident	83 Å²	83	37.7 Å²	37.7	31%	0.313	18%	0.177	S	C	.	.			trans	-87.9	150.7	-175.2	-66.4	-179.8	177.5	-141.3	11.6	111.2	R307 D310 Y461 G462 P464	R307-R312 PolarHBondContact N-O 2.67Å; D310-R312 HydrophobicContact CB-CG 4.33Å; D310-R312 PolarHBondContact O-N 3.01Å; D310-R312 WeakPolarHBondContact OD1-CB 3.35Å; D310-R312 PolarHBondContact OD1-N 3.2Å; R312-Y461 PolarHBondContact NH2-O 3.23Å; R312-G462 VanDerWaalsContact CZ-O 3.24Å; R312-G462 PolarHBondContact NE-O 2.78Å; R312-G462 PolarHBondContact NH2-O 3.1Å; R312-P464 HydrophobicContact CG-CG 4.23Å
313	P	89.1	Confident	80.9	Confident	17 Å²	17	37.9 Å²	37.9	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	144.5	171.2	31.5	-37	0	0	0	109.9	L189 L296 C304 L305 L306	L189-P313 HydrophobicContact CB-CG 3.43Å; L189-P313 VanDerWaalsContact CB-CG 3.43Å; L189-P313 WeakPolarHBondContact O-CD 3.49Å; L189-P313 WeakPolarHBondContact O-CG 3.42Å; L296-P313 HydrophobicContact CB-CB 4.06Å; L296-P313 HydrophobicContact CB-CG 4.05Å; L296-P313 HydrophobicContact CD2-CB 3.82Å; L296-P313 HydrophobicContact CD2-CG 4.17Å; C304-P313 VanDerWaalsContact SG-CB 3.51Å; L305-P313 CarbonylContact O-C 3.13Å; L305-P313 WeakPolarHBondContact O-CA 3.29Å; L306-P313 HydrophobicContact CD2-CB 4.05Å
314	S	88.3	Confident	79.1	Confident	19 Å²	19	45.6 Å²	45.6	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	140.1	176.9	-179.3	0	0	0	0	108.8	C304 L305 R307	C304-S314 WeakPolarHBondContact CA-O 3.23Å; L305-S314 PolarHBondContact N-O 3.37Å; L305-S314 PolarHBondContact O-N 2.99Å; R307-S314 VanDerWaalsContact NE-CB 3.31Å; R307-S314 PolarHBondContact NE-OG 3.31Å; R307-S314 PolarHBondContact NH2-OG 3.27Å; R307-S314 VanDerWaalsContact NH2-OG 3.15Å
315	C	89	Confident	76.9	Confident	32 Å²	32	48.8 Å²	48.8	22%	0.216	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.8	169.4	-60.4	0	0	0	0	110.1	C298 E302	C298-C315 WeakPolarHBondContact CA-SG 3.38Å; C298-C315 HydrophobicContact CB-CB 3.75Å; C298-C315 WeakPolarHBondContact CB-SG 3.02Å; C298-C315 WeakPolarHBondContact SG-CA 3.45Å; C298-C315 WeakPolarHBondContact SG-CB 3.45Å; C298-C315 CovalentContact SG-SG 2.03Å; C298-C315 PolarHBondContact SG-SG 3.27Å; E302-C315 HydrophobicContact CB-CB 4.14Å
316	E	86.1	Confident	74.5	Confident	31 Å²	31	55.4 Å²	55.4	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.3	179.2	-83	-69.5	-173.8	0	0	109.2	E302 Y303 L305 R307 K353 L357	E302-E316 WeakPolarHBondContact CA-O 3.31Å; Y303-E316 PolarHBondContact N-O 3.34Å; Y303-E316 PolarHBondContact O-N 3.29Å; L305-E316 HydrophobicContact CD2-CG 4.3Å; L305-E316 HydrophobicContact CG-CG 4.42Å; R307-E316 IonicContact CZ-OE1 3.71Å; R307-E316 IonicContact NH1-OE1 3.56Å; R307-E316 PolarHBondContact NH1-OE1 3.09Å; R307-E316 IonicContact NH2-OE1 2.81Å; R307-E316 PolarHBondContact NH2-OE1 3.23Å; E316-K353 WeakPolarHBondContact OE2-CE 3.46Å; E316-K353 IonicContact OE2-NZ 3.24Å; E316-K353 PolarHBondContact OE2-NZ 3.38Å; E316-L357 HydrophobicContact CB-CD2 3.54Å; E316-L357 HydrophobicContact CG-CD2 4.43Å
317	Y	82.4	Confident	72.4	Confident	103 Å²	103	60.8 Å²	60.8	40%	0.404	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.4	178.8	-178	-92.8	0	0	0	111.6	N301 E302 N319 K353	N301-Y317 HydrophobicContact CB-CD2 4.02Å; N301-Y317 HydrophobicContact CB-CE2 3.55Å; N301-Y317 CarbonylContact O-C 3.44Å; N301-Y317 WeakPolarHBondContact O-CA 3.45Å; N301-Y317 WeakPolarHBondContact O-CD2 3.3Å; E302-Y317 HydrophobicContact CG-CD2 4.4Å; Y317-N319 HydrophobicContact CE1-CB 3.94Å; Y317-N319 WeakPolarHBondContact OH-CB 3.19Å; Y317-N319 PolarHBondContact OH-ND2 3.4Å; Y317-K353 PolarHBondContact O-NZ 3.1Å; Y317-K353 VanDerWaalsContact O-NZ 3.14Å
318	W	77.5	Confident	70.6	Confident	20 Å²	20	62.7 Å²	62.7	8%	0.076	31%	0.309	C	S	.	.			trans	-150.6	130.2	172.6	-177.1	-87.3	0	0	0	111.8	N301 Y303 W323 L354 L357	N301-W318 PolarHBondContact O-N 2.96Å; N301-W318 VanDerWaalsContact O-O 3.08Å; Y303-W318 HydrophobicContact CD2-CB 3.64Å; Y303-W318 HydrophobicContact CD2-CG 4.45Å; Y303-W318 HydrophobicContact CE2-CB 3.74Å; Y303-W318 HydrophobicContact CE2-CG 4.31Å; W318-W323 AromaticContact CD2-CD1 3.64Å; W318-W323 AromaticContact CD2-NE1 3.24Å; W318-W323 AromaticContact CE2-CD1 3.56Å; W318-W323 AromaticContact CE2-NE1 3.71Å; W318-W323 AromaticContact CE3-CD1 3.8Å; W318-W323 HydrophobicContact CE3-CD2 4.42Å; W318-W323 AromaticContact CE3-CE2 3.56Å; W318-W323 AromaticContact CE3-CZ2 3.83Å; W318-W323 HydrophobicContact CE3-CZ2 3.83Å; W318-W323 AromaticContact CE3-NE1 3.16Å; W318-W323 AromaticContact CG-NE1 3.72Å; W318-W323 HydrophobicContact CH2-CB 4.45Å; W318-W323 AromaticContact CH2-CD1 3.72Å; W318-W323 HydrophobicContact CH2-CD2 4.32Å; W318-W323 AromaticContact CH2-CG 3.98Å; W318-W323 HydrophobicContact CH2-CG 3.98Å; W318-W323 AromaticContact CH2-NE1 3.92Å; W318-W323 AromaticContact CZ2-CD1 3.6Å; W318-W323 HydrophobicContact CZ2-CG 4.17Å; W318-W323 AromaticContact CZ3-CD1 3.84Å; W318-W323 HydrophobicContact CZ3-CD2 4.1Å; W318-W323 AromaticContact CZ3-CE2 3.64Å; W318-W323 HydrophobicContact CZ3-CG 4.19Å; W318-W323 HydrophobicContact CZ3-CZ2 4.02Å; W318-W323 AromaticContact CZ3-NE1 3.54Å; W318-L354 HydrophobicContact CD2-CD1 4.14Å; W318-L354 HydrophobicContact CE3-CD1 4.39Å; W318-L354 HydrophobicContact CH2-CB 3.54Å; W318-L354 HydrophobicContact CH2-CD1 3.8Å; W318-L354 HydrophobicContact CH2-CD2 3.84Å; W318-L354 HydrophobicContact CH2-CG 3.9Å; W318-L354 HydrophobicContact CZ2-CB 4.12Å; W318-L354 HydrophobicContact CZ2-CD1 3.46Å; W318-L354 VanDerWaalsContact CZ2-CD1 3.46Å; W318-L354 HydrophobicContact CZ2-CD2 3.75Å; W318-L354 HydrophobicContact CZ2-CG 3.96Å; W318-L354 HydrophobicContact CZ3-CB 3.75Å; W318-L354 HydrophobicContact CZ3-CD1 4.22Å; W318-L354 HydrophobicContact CZ3-CG 4.45Å; W318-L357 HydrophobicContact CB-CD1 3.67Å; W318-L357 HydrophobicContact CD2-CD1 3.81Å; W318-L357 HydrophobicContact CE3-CD1 3.53Å; W318-L357 HydrophobicContact CG-CD1 3.88Å
319	N	71.6	Confident	69.2	Low	32 Å²	32	62.6 Å²	62.6	17%	0.171	31%	0.309	C	S	.	.			trans	-142.5	124.5	174.2	169.4	14.8	0	0	0	110.4	Y317 Q321 S322 W323	Y317-N319 HydrophobicContact CE1-CB 3.94Å; Y317-N319 WeakPolarHBondContact OH-CB 3.19Å; Y317-N319 PolarHBondContact OH-ND2 3.4Å; N319-Q321 PolarHBondContact O-N 3.4Å; N319-Q321 PolarHBondContact OD1-N 3.22Å; N319-Q321 VanDerWaalsContact OD1-N 3.09Å; N319-S322 WeakPolarHBondContact CB-OG 3.4Å; N319-S322 PolarHBondContact O-N 2.67Å; N319-S322 PolarHBondContact O-OG 2.64Å; N319-W323 PolarHBondContact O-N 2.79Å
320	E	64	Low	67.6	Low	116 Å²	116	66.5 Å²	66.5	54%	0.542	34%	0.338	S	S	.	.	H	α-helix	trans	-50.8	-41.5	-179.8	-68.4	-169.7	164.2	0	0	113.2	S322	E320-S322 VanDerWaalsContact C-N 3.33Å; E320-S322 PolarHBondContact O-N 3.48Å
321	Q	60.7	Low	66.1	Low	132 Å²	132	73.3 Å²	73.3	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-69.8	-30.9	-178.6	-66.3	178.3	-18.1	0	0	112.6	N319	N319-Q321 PolarHBondContact O-N 3.4Å; N319-Q321 PolarHBondContact OD1-N 3.22Å; N319-Q321 VanDerWaalsContact OD1-N 3.09Å
322	S	56.5	Low	64.6	Low	12 Å²	12	73.8 Å²	73.8	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-72.5	-36.8	-179.5	65.4	0	0	0	0	112	N319 E320 T325 N328	N319-S322 WeakPolarHBondContact CB-OG 3.4Å; N319-S322 PolarHBondContact O-N 2.67Å; N319-S322 PolarHBondContact O-OG 2.64Å; E320-S322 VanDerWaalsContact C-N 3.33Å; E320-S322 PolarHBondContact O-N 3.48Å; S322-T325 PolarHBondContact O-OG1 3.43Å; S322-N328 VanDerWaalsContact O-CB 3.24Å; S322-N328 WeakPolarHBondContact O-CB 3.23Å
323	W	53.6	Low	63.2	Low	56 Å²	56	74.7 Å²	74.7	21%	0.212	39%	0.386	C	S	.	.	H	α-helix	trans	-88.7	-14.7	-170.8	-56.7	113.1	0	0	0	114.6	W318 N319 T325 N328 C329 C350 K353	W318-W323 AromaticContact CD2-CD1 3.64Å; W318-W323 AromaticContact CD2-NE1 3.24Å; W318-W323 AromaticContact CE2-CD1 3.56Å; W318-W323 AromaticContact CE2-NE1 3.71Å; W318-W323 AromaticContact CE3-CD1 3.8Å; W318-W323 HydrophobicContact CE3-CD2 4.42Å; W318-W323 AromaticContact CE3-CE2 3.56Å; W318-W323 AromaticContact CE3-CZ2 3.83Å; W318-W323 HydrophobicContact CE3-CZ2 3.83Å; W318-W323 AromaticContact CE3-NE1 3.16Å; W318-W323 AromaticContact CG-NE1 3.72Å; W318-W323 HydrophobicContact CH2-CB 4.45Å; W318-W323 AromaticContact CH2-CD1 3.72Å; W318-W323 HydrophobicContact CH2-CD2 4.32Å; W318-W323 AromaticContact CH2-CG 3.98Å; W318-W323 HydrophobicContact CH2-CG 3.98Å; W318-W323 AromaticContact CH2-NE1 3.92Å; W318-W323 AromaticContact CZ2-CD1 3.6Å; W318-W323 HydrophobicContact CZ2-CG 4.17Å; W318-W323 AromaticContact CZ3-CD1 3.84Å; W318-W323 HydrophobicContact CZ3-CD2 4.1Å; W318-W323 AromaticContact CZ3-CE2 3.64Å; W318-W323 HydrophobicContact CZ3-CG 4.19Å; W318-W323 HydrophobicContact CZ3-CZ2 4.02Å; W318-W323 AromaticContact CZ3-NE1 3.54Å; N319-W323 PolarHBondContact O-N 2.79Å; W323-T325 PolarHBondContact O-N 2.02Å; W323-N328 WeakPolarHBondContact CZ3-O 3.48Å; W323-C329 HydrophobicContact CE3-CB 3.76Å; W323-C329 HydrophobicContact CZ3-CB 3.77Å; W323-C329 WeakPolarHBondContact CZ3-SG 3.35Å; W323-C350 WeakPolarHBondContact CZ3-SG 3.46Å; W323-K353 HydrophobicContact CH2-CD 4.48Å; W323-K353 HydrophobicContact CZ2-CD 4.49Å
324	Q	48.9	Very low	62.2	Low	168 Å²	168	75.9 Å²	75.9	79%	0.785	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.7	169.2	-72.1	177.9	-3.9	0	0	112.3
325	T	45.4	Very low	61.6	Low	67 Å²	67	83.1 Å²	83.1	41%	0.411	43%	0.427	S	S	.	.	S	Bend	trans	-96.2	118.7	175.4	53.5	0	0	0	0	110.6	S322 W323 N327 N328	S322-T325 PolarHBondContact O-OG1 3.43Å; W323-T325 PolarHBondContact O-N 2.02Å; T325-N327 PolarHBondContact O-N 3.17Å; T325-N328 PolarHBondContact O-N 3.3Å
326	L	41.1	Very low	61.4	Low	138 Å²	138	85.6 Å²	85.6	72%	0.723	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-45.2	-28.3	174	-168.1	70.7	0	0	0	113	N328	L326-N328 PolarHBondContact O-N 2.81Å
327	N	45.6	Very low	61.6	Low	133 Å²	133	85.5 Å²	85.5	71%	0.711	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-69.6	-23.7	-177.6	-66.8	-10.6	0	0	0	115	T325	T325-N327 PolarHBondContact O-N 3.17Å
328	N	51.4	Low	62.1	Low	93 Å²	93	81 Å²	81	50%	0.497	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-106.8	5.8	-177.7	-83.7	-7.8	0	0	0	113.7	S322 W323 T325 L326 P330	S322-N328 VanDerWaalsContact O-CB 3.24Å; S322-N328 WeakPolarHBondContact O-CB 3.23Å; W323-N328 WeakPolarHBondContact CZ3-O 3.48Å; T325-N328 PolarHBondContact O-N 3.3Å; L326-N328 PolarHBondContact O-N 2.81Å; N328-P330 WeakPolarHBondContact O-CD 3.25Å
329	C	57.5	Low	63	Low	11 Å²	11	80 Å²	80	7%	0.074	42%	0.417	C	S	.	.			trans	-105.5	62.5	152.4	-142.6	0	0	0	0	107.5	W323 E331 S332 C350	W323-C329 HydrophobicContact CE3-CB 3.76Å; W323-C329 HydrophobicContact CZ3-CB 3.77Å; W323-C329 WeakPolarHBondContact CZ3-SG 3.35Å; C329-E331 PolarHBondContact O-N 3.44Å; C329-S332 WeakPolarHBondContact CB-OG 3.4Å; C329-S332 WeakPolarHBondContact O-CB 3.38Å; C329-S332 PolarHBondContact O-N 2.84Å; C329-S332 PolarHBondContact O-OG 3.48Å; C329-S332 WeakPolarHBondContact SG-CB 3Å; C329-C350 WeakPolarHBondContact CB-SG 3.41Å; C329-C350 WeakPolarHBondContact SG-CB 3.47Å; C329-C350 CovalentContact SG-SG 2.03Å; C329-C350 PolarHBondContact SG-SG 3.09Å
330	P	51.4	Low	64.1	Low	114 Å²	114	78.5 Å²	78.5	74%	0.74	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.7	-173.1	28.5	-36.4	0	0	0	113.3	N328	N328-P330 WeakPolarHBondContact O-CD 3.25Å
331	E	54.6	Low	65.6	Low	157 Å²	157	73.7 Å²	73.7	73%	0.734	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	9.5	175.9	-86.3	-173.3	150.2	0	0	113.9	C329 T333	C329-E331 PolarHBondContact O-N 3.44Å; E331-T333 PolarHBondContact O-N 3.43Å
332	S	55.6	Low	67.1	Low	15 Å²	15	70.1 Å²	70.1	11%	0.105	37%	0.373	C	S	.	.			trans	-101.4	27.7	-146.5	82.7	0	0	0	0	120.9	C329 N348 S349	C329-S332 WeakPolarHBondContact CB-OG 3.4Å; C329-S332 WeakPolarHBondContact O-CB 3.38Å; C329-S332 PolarHBondContact O-N 2.84Å; C329-S332 PolarHBondContact O-OG 3.48Å; C329-S332 WeakPolarHBondContact SG-CB 3Å; S332-N348 VanDerWaalsContact O-CB 3.25Å; S332-N348 WeakPolarHBondContact O-CB 3.03Å; S332-S349 WeakPolarHBondContact CA-OG 3.5Å
333	T	57.9	Low	68.9	Low	102 Å²	102	73.5 Å²	73.5	63%	0.626	39%	0.389	S	S	*	.			trans	-125.8	101.5	169.8	-26.7	0	0	0	0	107.2	E331 N335	E331-T333 PolarHBondContact O-N 3.43Å; T333-N335 PolarHBondContact O-N 3.36Å; T333-N335 VanDerWaalsContact O-N 3.1Å
334	F	67.2	Low	70.9	Confident	42 Å²	42	75 Å²	75	18%	0.184	40%	0.399	C	S	.	.			trans	-54.9	122.3	153.6	-56.5	-58.4	0	0	0	104.9	E336 I338 F346 N348 L352 I365	F334-E336 WeakPolarHBondContact CB-O 3.31Å; F334-E336 PolarHBondContact O-N 2.76Å; F334-I338 HydrophobicContact CB-CG2 4.41Å; F334-I338 HydrophobicContact CD1-CG2 4.21Å; F334-I338 HydrophobicContact CD2-CG1 3.78Å; F334-I338 HydrophobicContact CD2-CG2 4.27Å; F334-I338 HydrophobicContact CE1-CG1 4.44Å; F334-I338 HydrophobicContact CE2-CD1 4.29Å; F334-I338 HydrophobicContact CE2-CG1 3.49Å; F334-I338 VanDerWaalsContact CE2-CG1 3.49Å; F334-I338 HydrophobicContact CG-CG1 4.39Å; F334-I338 HydrophobicContact CG-CG2 4.08Å; F334-I338 HydrophobicContact CZ-CG1 3.86Å; F334-F346 HydrophobicContact CE2-CB 4.47Å; F334-N348 WeakPolarHBondContact CE2-O 3.01Å; F334-L352 HydrophobicContact CZ-CD2 4.04Å; F334-I365 HydrophobicContact CE1-CD1 4.25Å; F334-I365 HydrophobicContact CZ-CD1 4.38Å
335	N	75.8	Confident	73.1	Confident	171 Å²	171	69.1 Å²	69.1	91%	0.914	37%	0.374	S	S	*	.	S	Bend	trans	-56.7	-21	178.4	-70.4	-17.8	0	0	0	111.7	T333	T333-N335 PolarHBondContact O-N 3.36Å; T333-N335 VanDerWaalsContact O-N 3.1Å
336	E	83.9	Confident	75.3	Confident	85 Å²	85	66.4 Å²	66.4	40%	0.397	36%	0.357	S	S	.	.	S	Bend	trans	-141.3	149.9	179.9	54.3	-174.4	171	0	0	108.8	F334 K368	F334-E336 WeakPolarHBondContact CB-O 3.31Å; F334-E336 PolarHBondContact O-N 2.76Å; E336-K368 WeakPolarHBondContact OE1-CD 3.04Å
337	P	91.8	Very high	77.6	Confident	29 Å²	29	66 Å²	66	19%	0.188	35%	0.347	C	S	.	.			trans	-57.9	156.2	175.5	23.8	-32.7	0	0	0	111.6	T345 F346 Y347 G369 E370	P337-T345 HydrophobicContact CB-CG2 3.91Å; P337-F346 WeakPolarHBondContact CA-O 3.44Å; P337-Y347 HydrophobicContact CB-CD1 3.77Å; P337-Y347 HydrophobicContact CB-CE1 3.72Å; P337-Y347 HydrophobicContact CG-CD1 4.45Å; P337-Y347 HydrophobicContact CG-CE1 4.14Å; P337-G369 CarbonylContact O-C 3.57Å; P337-G369 WeakPolarHBondContact O-CA 3.4Å; P337-G369 PolarHBondContact O-N 3.34Å; P337-E370 HydrophobicContact CB-CG 3.77Å; P337-E370 HydrophobicContact CG-CG 3.38Å
338	I	92.7	Very high	79.4	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.5	174.3	64	82.4	0	0	0	110.7	F334 T345 F346 L352 I365 G369	F334-I338 HydrophobicContact CB-CG2 4.41Å; F334-I338 HydrophobicContact CD1-CG2 4.21Å; F334-I338 HydrophobicContact CD2-CG1 3.78Å; F334-I338 HydrophobicContact CD2-CG2 4.27Å; F334-I338 HydrophobicContact CE1-CG1 4.44Å; F334-I338 HydrophobicContact CE2-CD1 4.29Å; F334-I338 HydrophobicContact CE2-CG1 3.49Å; F334-I338 VanDerWaalsContact CE2-CG1 3.49Å; F334-I338 HydrophobicContact CG-CG1 4.39Å; F334-I338 HydrophobicContact CG-CG2 4.08Å; F334-I338 HydrophobicContact CZ-CG1 3.86Å; I338-T345 CarbonylContact O-C 3.51Å; I338-T345 WeakPolarHBondContact O-CA 3.39Å; I338-F346 HydrophobicContact CD1-CB 3.81Å; I338-F346 HydrophobicContact CD1-CD2 4Å; I338-F346 HydrophobicContact CD1-CG 4.34Å; I338-F346 HydrophobicContact CG1-CB 4.17Å; I338-F346 PolarHBondContact N-O 3.1Å; I338-F346 PolarHBondContact O-N 2.75Å; I338-L352 HydrophobicContact CD1-CD1 4.13Å; I338-I365 HydrophobicContact CB-CG2 4.15Å; I338-I365 HydrophobicContact CD1-CG1 3.95Å; I338-I365 HydrophobicContact CD1-CG2 4.43Å; I338-I365 HydrophobicContact CG1-CG1 4.35Å; I338-G369 CarbonylContact C-O 3.57Å; I338-G369 WeakPolarHBondContact CA-O 3.18Å
339	C	95.9	Very high	80.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.4	172.7	-176.7	0	0	0	0	108.8	A366 Y367 G369 C371 Q397	C339-A366 WeakPolarHBondContact O-CA 3.4Å; C339-A366 WeakPolarHBondContact O-CB 3.43Å; C339-A366 PolarHBondContact O-N 3.32Å; C339-Y367 HydrophobicContact CB-CD1 4.15Å; C339-Y367 HydrophobicContact CB-CD2 3.84Å; C339-Y367 HydrophobicContact CB-CE1 3.85Å; C339-Y367 HydrophobicContact CB-CE2 3.49Å; C339-Y367 VanDerWaalsContact CB-CE2 3.49Å; C339-Y367 HydrophobicContact CB-CG 4.17Å; C339-Y367 PolarHBondContact N-O 3.23Å; C339-Y367 PolarHBondContact O-N 2.89Å; C339-Y367 VanDerWaalsContact SG-CE1 3.6Å; C339-G369 WeakPolarHBondContact CB-O 3.3Å; C339-G369 PolarHBondContact N-O 2.96Å; C339-C371 WeakPolarHBondContact CA-SG 3.22Å; C339-C371 HydrophobicContact CB-CB 4.02Å; C339-C371 WeakPolarHBondContact CB-SG 3.03Å; C339-C371 WeakPolarHBondContact SG-CA 3.18Å; C339-C371 WeakPolarHBondContact SG-CB 3.35Å; C339-C371 CovalentContact SG-SG 2.04Å; C339-C371 PolarHBondContact SG-SG 3.39Å; C339-Q397 PolarHBondContact SG-NE2 3.41Å
340	S	95.2	Very high	82	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	167.1	178.5	63.5	0	0	0	0	113	D342 N343 Q344 R364 Q397	S340-D342 PolarHBondContact O-N 3.43Å; S340-N343 PolarHBondContact O-N 3.24Å; S340-N343 VanDerWaalsContact O-N 3.13Å; S340-Q344 WeakPolarHBondContact CB-O 3.37Å; S340-Q344 PolarHBondContact N-O 2.93Å; S340-Q344 PolarHBondContact OG-N 3.05Å; S340-Q344 VanDerWaalsContact OG-N 3.12Å; S340-Q344 PolarHBondContact OG-O 3.44Å; S340-R364 CarbonylContact C-O 3.51Å; S340-R364 VanDerWaalsContact CA-O 3.25Å; S340-R364 WeakPolarHBondContact CA-O 3.25Å; S340-R364 WeakPolarHBondContact CB-O 3.46Å; S340-Q397 PolarHBondContact O-NE2 3.45Å
341	T	94.5	Very high	83.6	Confident	14 Å²	14	56 Å²	56	9%	0.086	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.6	173.9	53.5	0	0	0	0	114.2	N343 R364 A366 Q397 I399	T341-N343 VanDerWaalsContact C-N 3.3Å; T341-R364 HydrophobicContact CG2-CB 3.71Å; T341-R364 PolarHBondContact N-O 3.44Å; T341-R364 PolarHBondContact OG1-O 3.33Å; T341-A366 HydrophobicContact CG2-CB 4.25Å; T341-Q397 PolarHBondContact O-OE1 3.12Å; T341-I399 HydrophobicContact CG2-CD1 4.3Å; T341-I399 HydrophobicContact CG2-CG1 4.45Å; T341-I399 HydrophobicContact CG2-CG2 4.04Å
342	D	92.9	Very high	85.3	Confident	58 Å²	58	48.6 Å²	48.6	31%	0.31	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	15.7	176.2	-65.7	-43.2	0	0	0	112.4	S340 Q344	S340-D342 PolarHBondContact O-N 3.43Å; D342-Q344 PolarHBondContact O-N 3.15Å
343	N	94.8	Very high	86.8	Confident	82 Å²	82	49.1 Å²	49.1	44%	0.439	26%	0.255	S	S	.	.	S	Bend	trans	58.2	32.6	-177.9	-159.4	50	0	0	0	114.1	S340 T341 Q397	S340-N343 PolarHBondContact O-N 3.24Å; S340-N343 VanDerWaalsContact O-N 3.13Å; T341-N343 VanDerWaalsContact C-N 3.3Å; N343-Q397 VanDerWaalsContact CB-OE1 3.31Å
344	Q	95.1	Very high	88.1	Confident	89 Å²	89	45.7 Å²	45.7	42%	0.416	23%	0.233	S	C	.	.			trans	-113	134.6	175	-65.5	178.9	39.8	0	0	110.9	S340 D342 F346 C371	S340-Q344 WeakPolarHBondContact CB-O 3.37Å; S340-Q344 PolarHBondContact N-O 2.93Å; S340-Q344 PolarHBondContact OG-N 3.05Å; S340-Q344 VanDerWaalsContact OG-N 3.12Å; S340-Q344 PolarHBondContact OG-O 3.44Å; D342-Q344 PolarHBondContact O-N 3.15Å; Q344-F346 HydrophobicContact CB-CE2 3.8Å; Q344-F346 HydrophobicContact CB-CZ 4.09Å; Q344-F346 WeakPolarHBondContact O-CD2 3.49Å; Q344-C371 PolarHBondContact O-SG 2.83Å
345	T	95	Very high	89.2	Confident	43 Å²	43	44.9 Å²	44.9	26%	0.264	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.4	176.3	-58	0	0	0	0	110.4	P337 I338 Y347 E370 C371	P337-T345 HydrophobicContact CB-CG2 3.91Å; I338-T345 CarbonylContact O-C 3.51Å; I338-T345 WeakPolarHBondContact O-CA 3.39Å; T345-Y347 HydrophobicContact CG2-CE2 4.08Å; T345-E370 HydrophobicContact CG2-CB 3.95Å; T345-E370 HydrophobicContact CG2-CG 3.88Å; T345-C371 PolarHBondContact OG1-N 3.13Å
346	F	92	Very high	90	Very high	11 Å²	11	36.8 Å²	36.8	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.7	174.9	-66	-82.3	0	0	0	110.8	F334 P337 I338 Q344 D351 L352 T355 V363	F334-F346 HydrophobicContact CE2-CB 4.47Å; P337-F346 WeakPolarHBondContact CA-O 3.44Å; I338-F346 HydrophobicContact CD1-CB 3.81Å; I338-F346 HydrophobicContact CD1-CD2 4Å; I338-F346 HydrophobicContact CD1-CG 4.34Å; I338-F346 HydrophobicContact CG1-CB 4.17Å; I338-F346 PolarHBondContact N-O 3.1Å; I338-F346 PolarHBondContact O-N 2.75Å; Q344-F346 HydrophobicContact CB-CE2 3.8Å; Q344-F346 HydrophobicContact CB-CZ 4.09Å; Q344-F346 WeakPolarHBondContact O-CD2 3.49Å; F346-D351 HydrophobicContact CD1-CB 3.78Å; F346-D351 HydrophobicContact CE1-CB 4.29Å; F346-D351 WeakPolarHBondContact CE1-O 3.44Å; F346-L352 HydrophobicContact CB-CB 4.34Å; F346-L352 HydrophobicContact CD1-CB 4.14Å; F346-L352 HydrophobicContact CD1-CD1 4.48Å; F346-L352 HydrophobicContact CD2-CB 4.46Å; F346-L352 HydrophobicContact CD2-CD1 3.45Å; F346-L352 VanDerWaalsContact CD2-CD1 3.45Å; F346-L352 HydrophobicContact CE2-CD1 3.64Å; F346-L352 HydrophobicContact CG-CB 4.05Å; F346-L352 HydrophobicContact CG-CD1 3.9Å; F346-L352 HydrophobicContact CZ-CD1 4.26Å; F346-T355 WeakPolarHBondContact CE1-OG1 3.14Å; F346-T355 HydrophobicContact CZ-CG2 3.97Å; F346-V363 HydrophobicContact CE2-CG1 4.24Å
347	Y	88.7	Confident	90.3	Very high	128 Å²	128	32.7 Å²	32.7	50%	0.502	17%	0.169	S	C	.	.	S	Bend	trans	-99.1	-14.4	-179.5	-66.2	-82.8	0	0	0	113	P337 T345 E370	P337-Y347 HydrophobicContact CB-CD1 3.77Å; P337-Y347 HydrophobicContact CB-CE1 3.72Å; P337-Y347 HydrophobicContact CG-CD1 4.45Å; P337-Y347 HydrophobicContact CG-CE1 4.14Å; T345-Y347 HydrophobicContact CG2-CE2 4.08Å; Y347-E370 WeakPolarHBondContact CE1-OE1 3.07Å; Y347-E370 PolarHBondContact OH-OE1 2.63Å
348	N	82.7	Confident	90.1	Very high	38 Å²	38	37.1 Å²	37.1	20%	0.203	19%	0.185	C	C	.	.	S	Bend	trans	-149	157.5	178.2	60.7	69.7	0	0	0	109.8	S332 F334 C350 D351	S332-N348 VanDerWaalsContact O-CB 3.25Å; S332-N348 WeakPolarHBondContact O-CB 3.03Å; F334-N348 WeakPolarHBondContact CE2-O 3.01Å; N348-C350 PolarHBondContact O-N 2.67Å; N348-C350 WeakPolarHBondContact OD1-CA 3.28Å; N348-C350 WeakPolarHBondContact OD1-CB 3.39Å; N348-C350 PolarHBondContact OD1-N 3.38Å; N348-D351 PolarHBondContact ND2-OD2 3.36Å; N348-D351 WeakPolarHBondContact OD1-CB 3.45Å; N348-D351 VanDerWaalsContact OD1-CG 3.28Å; N348-D351 PolarHBondContact OD1-N 2.77Å; N348-D351 PolarHBondContact OD1-OD2 3.02Å
349	S	81.6	Confident	90	Very high	21 Å²	21	39.9 Å²	39.9	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-69.4	-24.2	-179.3	55.8	0	0	0	0	112.9	S332 K353	S332-S349 WeakPolarHBondContact CA-OG 3.5Å; S349-K353 WeakPolarHBondContact O-CB 3.32Å; S349-K353 PolarHBondContact O-N 2.97Å
350	C	82.8	Confident	89.8	Confident	14 Å²	14	41.8 Å²	41.8	10%	0.095	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-54.9	174.8	-104.7	0	0	0	0	112.2	W323 C329 N348 L352 K353 L354	W323-C350 WeakPolarHBondContact CZ3-SG 3.46Å; C329-C350 WeakPolarHBondContact CB-SG 3.41Å; C329-C350 WeakPolarHBondContact SG-CB 3.47Å; C329-C350 CovalentContact SG-SG 2.03Å; C329-C350 PolarHBondContact SG-SG 3.09Å; N348-C350 PolarHBondContact O-N 2.67Å; N348-C350 WeakPolarHBondContact OD1-CA 3.28Å; N348-C350 WeakPolarHBondContact OD1-CB 3.39Å; N348-C350 PolarHBondContact OD1-N 3.38Å; C350-L352 VanDerWaalsContact C-N 3.32Å; C350-L352 PolarHBondContact O-N 2.67Å; C350-K353 WeakPolarHBondContact O-CB 3.26Å; C350-K353 PolarHBondContact O-N 3.44Å; C350-L354 PolarHBondContact O-N 3.15Å
351	D	85.8	Confident	89.7	Confident	70 Å²	70	42.5 Å²	42.5	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-66.4	-36.9	-178.7	-69.7	-28	0	0	0	111.3	F346 N348 K353 L354 T355	F346-D351 HydrophobicContact CD1-CB 3.78Å; F346-D351 HydrophobicContact CE1-CB 4.29Å; F346-D351 WeakPolarHBondContact CE1-O 3.44Å; N348-D351 PolarHBondContact ND2-OD2 3.36Å; N348-D351 WeakPolarHBondContact OD1-CB 3.45Å; N348-D351 VanDerWaalsContact OD1-CG 3.28Å; N348-D351 PolarHBondContact OD1-N 2.77Å; N348-D351 PolarHBondContact OD1-OD2 3.02Å; D351-K353 VanDerWaalsContact C-N 3.33Å; D351-K353 PolarHBondContact O-N 2.94Å; D351-L354 PolarHBondContact O-N 2.96Å; D351-T355 PolarHBondContact O-N 2.89Å; D351-T355 PolarHBondContact O-OG1 2.69Å; D351-T355 VanDerWaalsContact O-OG1 3.14Å
352	L	88.9	Confident	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-47.4	173.3	-177.1	72.5	0	0	0	110.6	F334 I338 F346 C350 T355 G356 V363 I365 F449	F334-L352 HydrophobicContact CZ-CD2 4.04Å; I338-L352 HydrophobicContact CD1-CD1 4.13Å; F346-L352 HydrophobicContact CB-CB 4.34Å; F346-L352 HydrophobicContact CD1-CB 4.14Å; F346-L352 HydrophobicContact CD1-CD1 4.48Å; F346-L352 HydrophobicContact CD2-CB 4.46Å; F346-L352 HydrophobicContact CD2-CD1 3.45Å; F346-L352 VanDerWaalsContact CD2-CD1 3.45Å; F346-L352 HydrophobicContact CE2-CD1 3.64Å; F346-L352 HydrophobicContact CG-CB 4.05Å; F346-L352 HydrophobicContact CG-CD1 3.9Å; F346-L352 HydrophobicContact CZ-CD1 4.26Å; C350-L352 VanDerWaalsContact C-N 3.32Å; C350-L352 PolarHBondContact O-N 2.67Å; L352-T355 PolarHBondContact O-N 3.05Å; L352-G356 PolarHBondContact O-N 3.01Å; L352-G356 VanDerWaalsContact O-N 3.14Å; L352-V363 HydrophobicContact CD1-CB 3.77Å; L352-V363 HydrophobicContact CD1-CG1 3.49Å; L352-V363 VanDerWaalsContact CD1-CG1 3.49Å; L352-V363 HydrophobicContact CG-CB 4.38Å; L352-I365 HydrophobicContact CD2-CG1 4.14Å; L352-F449 HydrophobicContact CD2-CD1 4.24Å; L352-F449 HydrophobicContact CG-CD1 4.29Å; L352-F449 HydrophobicContact CG-CE1 4.36Å
353	K	87.5	Confident	89.5	Confident	27 Å²	27	39.6 Å²	39.6	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-46.1	177.6	-174.1	178.2	-176.8	-177.5	0	111.7	E316 Y317 W323 S349 C350 D351 T355 G356 L357 F449	E316-K353 WeakPolarHBondContact OE2-CE 3.46Å; E316-K353 IonicContact OE2-NZ 3.24Å; E316-K353 PolarHBondContact OE2-NZ 3.38Å; Y317-K353 PolarHBondContact O-NZ 3.1Å; Y317-K353 VanDerWaalsContact O-NZ 3.14Å; W323-K353 HydrophobicContact CH2-CD 4.48Å; W323-K353 HydrophobicContact CZ2-CD 4.49Å; S349-K353 WeakPolarHBondContact O-CB 3.32Å; S349-K353 PolarHBondContact O-N 2.97Å; C350-K353 WeakPolarHBondContact O-CB 3.26Å; C350-K353 PolarHBondContact O-N 3.44Å; D351-K353 VanDerWaalsContact C-N 3.33Å; D351-K353 PolarHBondContact O-N 2.94Å; K353-T355 VanDerWaalsContact C-N 3.32Å; K353-T355 PolarHBondContact O-N 2.96Å; K353-G356 WeakPolarHBondContact O-CA 3.37Å; K353-G356 PolarHBondContact O-N 3.42Å; K353-L357 HydrophobicContact CG-CD1 4.31Å; K353-L357 WeakPolarHBondContact O-CG 3.16Å; K353-L357 PolarHBondContact O-N 2.98Å; K353-F449 HydrophobicContact CB-CD1 4.13Å; K353-F449 HydrophobicContact CB-CE1 4.17Å; K353-F449 HydrophobicContact CB-CG 4.39Å; K353-F449 HydrophobicContact CB-CZ 4.43Å; K353-F449 HydrophobicContact CG-CD2 4.21Å; K353-F449 HydrophobicContact CG-CE1 4.44Å; K353-F449 HydrophobicContact CG-CE2 4.13Å; K353-F449 HydrophobicContact CG-CG 4.39Å; K353-F449 HydrophobicContact CG-CZ 4.23Å
354	L	86.2	Confident	89.4	Confident	30 Å²	30	36.8 Å²	36.8	16%	0.157	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-46.2	178.1	-179	51.6	0	0	0	111.8	L197 W318 C350 D351 G356 L357 K358	L197-L354 HydrophobicContact CD2-CD1 3.57Å; W318-L354 HydrophobicContact CD2-CD1 4.14Å; W318-L354 HydrophobicContact CE3-CD1 4.39Å; W318-L354 HydrophobicContact CH2-CB 3.54Å; W318-L354 HydrophobicContact CH2-CD1 3.8Å; W318-L354 HydrophobicContact CH2-CD2 3.84Å; W318-L354 HydrophobicContact CH2-CG 3.9Å; W318-L354 HydrophobicContact CZ2-CB 4.12Å; W318-L354 HydrophobicContact CZ2-CD1 3.46Å; W318-L354 VanDerWaalsContact CZ2-CD1 3.46Å; W318-L354 HydrophobicContact CZ2-CD2 3.75Å; W318-L354 HydrophobicContact CZ2-CG 3.96Å; W318-L354 HydrophobicContact CZ3-CB 3.75Å; W318-L354 HydrophobicContact CZ3-CD1 4.22Å; W318-L354 HydrophobicContact CZ3-CG 4.45Å; C350-L354 PolarHBondContact O-N 3.15Å; D351-L354 PolarHBondContact O-N 2.96Å; L354-G356 VanDerWaalsContact C-N 3.26Å; L354-G356 PolarHBondContact O-N 3.39Å; L354-L357 PolarHBondContact O-N 3.29Å; L354-K358 HydrophobicContact CD1-CD 4.27Å; L354-K358 HydrophobicContact CD1-CG 4.2Å; L354-K358 HydrophobicContact CG-CD 4.23Å; L354-K358 WeakPolarHBondContact O-CG 3.36Å; L354-K358 PolarHBondContact O-N 3.09Å
355	T	90.1	Very high	89.3	Confident	25 Å²	25	33.3 Å²	33.3	15%	0.153	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-40	176.4	-63.9	0	0	0	0	111	F346 D351 L352 K353 K358 N359 V363	F346-T355 WeakPolarHBondContact CE1-OG1 3.14Å; F346-T355 HydrophobicContact CZ-CG2 3.97Å; D351-T355 PolarHBondContact O-N 2.89Å; D351-T355 PolarHBondContact O-OG1 2.69Å; D351-T355 VanDerWaalsContact O-OG1 3.14Å; L352-T355 PolarHBondContact O-N 3.05Å; K353-T355 VanDerWaalsContact C-N 3.32Å; K353-T355 PolarHBondContact O-N 2.96Å; T355-K358 PolarHBondContact O-N 2.97Å; T355-N359 WeakPolarHBondContact CG2-ND2 3.46Å; T355-N359 VanDerWaalsContact O-CB 3.23Å; T355-N359 WeakPolarHBondContact O-CB 3.19Å; T355-N359 PolarHBondContact O-N 3.49Å; T355-N359 PolarHBondContact O-ND2 2.91Å; T355-V363 HydrophobicContact CG2-CG2 3.96Å
356	G	92.1	Very high	89.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-40.5	175	0	0	0	0	0	114.1	L352 K353 L354 N359 Q360 L361	L352-G356 PolarHBondContact O-N 3.01Å; L352-G356 VanDerWaalsContact O-N 3.14Å; K353-G356 WeakPolarHBondContact O-CA 3.37Å; K353-G356 PolarHBondContact O-N 3.42Å; L354-G356 VanDerWaalsContact C-N 3.26Å; L354-G356 PolarHBondContact O-N 3.39Å; G356-N359 CarbonylContact O-C 3.52Å; G356-N359 PolarHBondContact O-N 2.75Å; G356-Q360 WeakPolarHBondContact O-CA 3.29Å; G356-Q360 PolarHBondContact O-N 3.23Å; G356-L361 CarbonylContact C-O 3.31Å; G356-L361 WeakPolarHBondContact CA-O 3.39Å; G356-L361 PolarHBondContact O-N 2.77Å
357	L	89.7	Confident	89.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-45.9	176	-64.7	169.5	0	0	0	111.7	L197 L305 E316 W318 K353 L354 N359 Q360	L197-L357 HydrophobicContact CB-CB 4.27Å; L197-L357 HydrophobicContact CD2-CB 3.71Å; L305-L357 HydrophobicContact CD2-CD2 3.58Å; L305-L357 HydrophobicContact CD2-CG 4.16Å; L305-L357 HydrophobicContact CG-CD2 4.36Å; E316-L357 HydrophobicContact CB-CD2 3.54Å; E316-L357 HydrophobicContact CG-CD2 4.43Å; W318-L357 HydrophobicContact CB-CD1 3.67Å; W318-L357 HydrophobicContact CD2-CD1 3.81Å; W318-L357 HydrophobicContact CE3-CD1 3.53Å; W318-L357 HydrophobicContact CG-CD1 3.88Å; K353-L357 HydrophobicContact CG-CD1 4.31Å; K353-L357 WeakPolarHBondContact O-CG 3.16Å; K353-L357 PolarHBondContact O-N 2.98Å; L354-L357 PolarHBondContact O-N 3.29Å; L357-N359 VanDerWaalsContact C-N 3.3Å; L357-N359 PolarHBondContact O-N 2.9Å; L357-Q360 PolarHBondContact O-N 3.13Å; L357-Q360 VanDerWaalsContact O-N 3.15Å
358	K	88.6	Confident	89.7	Confident	121 Å²	121	28 Å²	28	53%	0.526	14%	0.139	S	C	.	.	H	α-helix	trans	-61	-41.4	176	-72	179.2	176.6	177.1	0	111.5	L197 L354 T355 Q360	L197-K358 HydrophobicContact CD2-CG 3.87Å; L354-K358 HydrophobicContact CD1-CD 4.27Å; L354-K358 HydrophobicContact CD1-CG 4.2Å; L354-K358 HydrophobicContact CG-CD 4.23Å; L354-K358 WeakPolarHBondContact O-CG 3.36Å; L354-K358 PolarHBondContact O-N 3.09Å; T355-K358 PolarHBondContact O-N 2.97Å; K358-Q360 VanDerWaalsContact C-N 3.28Å; K358-Q360 PolarHBondContact O-N 3.21Å
359	N	90.5	Very high	90.2	Very high	67 Å²	67	27.2 Å²	27.2	36%	0.358	14%	0.14	S	C	.	.	H	α-helix	trans	-80.9	-7.5	179.6	-66.7	-13.8	0	0	0	113	T355 G356 L357 L361 K495	T355-N359 WeakPolarHBondContact CG2-ND2 3.46Å; T355-N359 VanDerWaalsContact O-CB 3.23Å; T355-N359 WeakPolarHBondContact O-CB 3.19Å; T355-N359 PolarHBondContact O-N 3.49Å; T355-N359 PolarHBondContact O-ND2 2.91Å; G356-N359 CarbonylContact O-C 3.52Å; G356-N359 PolarHBondContact O-N 2.75Å; L357-N359 VanDerWaalsContact C-N 3.3Å; L357-N359 PolarHBondContact O-N 2.9Å; N359-L361 PolarHBondContact O-N 3.31Å; N359-K495 WeakPolarHBondContact O-CE 3.4Å; N359-K495 PolarHBondContact O-NZ 2.92Å
360	Q	91.6	Very high	90.9	Very high	40 Å²	40	30.6 Å²	30.6	19%	0.187	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	29	-172.9	-51.2	150	21.5	0	0	113	I196 L306 G356 L357 K358	I196-Q360 HydrophobicContact CB-CG 4.45Å; I196-Q360 HydrophobicContact CG1-CG 4.01Å; I196-Q360 HydrophobicContact CG2-CG 3.94Å; L306-Q360 PolarHBondContact N-O 3.06Å; G356-Q360 WeakPolarHBondContact O-CA 3.29Å; G356-Q360 PolarHBondContact O-N 3.23Å; L357-Q360 PolarHBondContact O-N 3.13Å; L357-Q360 VanDerWaalsContact O-N 3.15Å; K358-Q360 VanDerWaalsContact C-N 3.28Å; K358-Q360 PolarHBondContact O-N 3.21Å
361	L	92.1	Very high	91.5	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-149	125.3	-178.3	-180	65.9	0	0	0	107.4	L306 G356 N359 V363 L493	L306-L361 HydrophobicContact CB-CD1 3.9Å; G356-L361 CarbonylContact C-O 3.31Å; G356-L361 WeakPolarHBondContact CA-O 3.39Å; G356-L361 PolarHBondContact O-N 2.77Å; N359-L361 PolarHBondContact O-N 3.31Å; L361-V363 PolarHBondContact O-N 3.01Å; L361-L493 HydrophobicContact CD1-CD2 3.76Å; L361-L493 HydrophobicContact CD1-CG 4.03Å; L361-L493 WeakPolarHBondContact CD2-O 3.45Å
362	E	92.2	Very high	91.9	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.042	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-54.5	131.9	176.3	177.7	167.8	-129.4	0	0	110.1	L305 L306 R307 Q308 F449	L305-E362 HydrophobicContact CD1-CB 3.86Å; L306-E362 WeakPolarHBondContact O-CB 3.41Å; L306-E362 PolarHBondContact O-N 2.76Å; R307-E362 WeakPolarHBondContact CA-OE2 3.27Å; R307-E362 WeakPolarHBondContact CD-OE2 3.38Å; R307-E362 IonicContact NH1-OE1 2.7Å; R307-E362 PolarHBondContact NH1-OE1 3.05Å; Q308-E362 HydrophobicContact CG-CB 4.07Å; Q308-E362 HydrophobicContact CG-CG 4.42Å; Q308-E362 WeakPolarHBondContact CG-O 3.41Å; Q308-E362 PolarHBondContact N-OE2 2.04Å; Q308-E362 PolarHBondContact NE2-O 2.91Å; E362-F449 HydrophobicContact CB-CE2 4.36Å; E362-F449 HydrophobicContact CB-CZ 4.15Å; E362-F449 HydrophobicContact CG-CD2 4.4Å; E362-F449 HydrophobicContact CG-CE1 4.13Å; E362-F449 HydrophobicContact CG-CE2 3.92Å; E362-F449 HydrophobicContact CG-CZ 3.79Å
363	V	92.2	Very high	92.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-91.3	127	178.5	-177.5	0	0	0	0	108.2	F346 L352 T355 L361 G450	F346-V363 HydrophobicContact CE2-CG1 4.24Å; L352-V363 HydrophobicContact CD1-CB 3.77Å; L352-V363 HydrophobicContact CD1-CG1 3.49Å; L352-V363 VanDerWaalsContact CD1-CG1 3.49Å; L352-V363 HydrophobicContact CG-CB 4.38Å; T355-V363 HydrophobicContact CG2-CG2 3.96Å; L361-V363 PolarHBondContact O-N 3.01Å; V363-G450 WeakPolarHBondContact O-CA 3.41Å
364	R	92	Very high	92.1	Very high	23 Å²	23	47.8 Å²	47.8	9%	0.087	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-92.4	148.7	176.9	-89.3	-171.6	-163.7	-147.5	6.5	112	Q308 S340 T341 G450	Q308-R364 HydrophobicContact CB-CG 4.11Å; Q308-R364 HydrophobicContact CG-CG 4.08Å; Q308-R364 PolarHBondContact O-NH2 2.76Å; Q308-R364 VanDerWaalsContact OE1-CG 3.23Å; S340-R364 CarbonylContact C-O 3.51Å; S340-R364 VanDerWaalsContact CA-O 3.25Å; S340-R364 WeakPolarHBondContact CA-O 3.25Å; S340-R364 WeakPolarHBondContact CB-O 3.46Å; T341-R364 HydrophobicContact CG2-CB 3.71Å; T341-R364 PolarHBondContact N-O 3.44Å; T341-R364 PolarHBondContact OG1-O 3.33Å; R364-G450 WeakPolarHBondContact CA-O 3.45Å
365	I	92.7	Very high	92.5	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.087	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.8	168.4	-57.6	173.8	0	0	0	108.5	F334 I338 L352 P383 G450	F334-I365 HydrophobicContact CE1-CD1 4.25Å; F334-I365 HydrophobicContact CZ-CD1 4.38Å; I338-I365 HydrophobicContact CB-CG2 4.15Å; I338-I365 HydrophobicContact CD1-CG1 3.95Å; I338-I365 HydrophobicContact CD1-CG2 4.43Å; I338-I365 HydrophobicContact CG1-CG1 4.35Å; L352-I365 HydrophobicContact CD2-CG1 4.14Å; I365-P383 HydrophobicContact CG2-CG 4.25Å; I365-G450 PolarHBondContact N-O 3.4Å
366	A	95.6	Very high	92.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-48.2	173.7	0	0	0	0	0	111.7	C339 T341 I399 C400	C339-A366 WeakPolarHBondContact O-CA 3.4Å; C339-A366 WeakPolarHBondContact O-CB 3.43Å; C339-A366 PolarHBondContact O-N 3.32Å; T341-A366 HydrophobicContact CG2-CB 4.25Å; A366-I399 HydrophobicContact CB-CG1 4.06Å; A366-C400 WeakPolarHBondContact O-CB 3.33Å; A366-C400 PolarHBondContact O-N 2.94Å; A366-C400 PolarHBondContact O-SG 3.11Å
367	Y	95.1	Very high	93	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	168.2	177.8	57.5	-96.2	0	0	0	112.2	C339 E370 C371 R372 I380 Q397 P398	C339-Y367 HydrophobicContact CB-CD1 4.15Å; C339-Y367 HydrophobicContact CB-CD2 3.84Å; C339-Y367 HydrophobicContact CB-CE1 3.85Å; C339-Y367 HydrophobicContact CB-CE2 3.49Å; C339-Y367 VanDerWaalsContact CB-CE2 3.49Å; C339-Y367 HydrophobicContact CB-CG 4.17Å; C339-Y367 PolarHBondContact N-O 3.23Å; C339-Y367 PolarHBondContact O-N 2.89Å; C339-Y367 VanDerWaalsContact SG-CE1 3.6Å; Y367-E370 WeakPolarHBondContact CE2-O 3.45Å; Y367-C371 WeakPolarHBondContact OH-CA 3.49Å; Y367-R372 PolarHBondContact OH-N 3.5Å; Y367-R372 VanDerWaalsContact OH-N 3.13Å; Y367-I380 HydrophobicContact CD1-CB 4.45Å; Y367-I380 HydrophobicContact CD1-CG2 4.22Å; Y367-I380 HydrophobicContact CD2-CB 4.16Å; Y367-I380 HydrophobicContact CD2-CG2 4.03Å; Y367-I380 HydrophobicContact CE1-CG2 4.2Å; Y367-I380 HydrophobicContact CE2-CG2 4.02Å; Y367-I380 HydrophobicContact CG-CB 4.05Å; Y367-I380 HydrophobicContact CG-CG2 4.13Å; Y367-Q397 HydrophobicContact CE1-CG 4.4Å; Y367-P398 HydrophobicContact CD1-CB 4.46Å; Y367-P398 VanDerWaalsContact CD1-O 3.28Å; Y367-P398 WeakPolarHBondContact CD1-O 3.07Å; Y367-P398 HydrophobicContact CE1-CB 4.45Å; Y367-P398 WeakPolarHBondContact CE1-O 3.4Å
368	K	93.4	Very high	93.2	Very high	71 Å²	71	57.1 Å²	57.1	31%	0.309	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.4	176.3	-72	174.3	160.6	173.9	0	111.7	E336 Q381 P383	E336-K368 WeakPolarHBondContact OE1-CD 3.04Å; K368-Q381 PolarHBondContact N-O 2.04Å; K368-P383 PolarHBondContact NZ-O 2.95Å
369	G	93.8	Very high	93.6	Very high	20 Å²	20	55.3 Å²	55.3	21%	0.206	30%	0.296	C	S	.	.	S	Bend	trans	95.9	174.4	-173.7	0	0	0	0	0	112.9	P337 I338 C339	P337-G369 CarbonylContact O-C 3.57Å; P337-G369 WeakPolarHBondContact O-CA 3.4Å; P337-G369 PolarHBondContact O-N 3.34Å; I338-G369 CarbonylContact C-O 3.57Å; I338-G369 WeakPolarHBondContact CA-O 3.18Å; C339-G369 WeakPolarHBondContact CB-O 3.3Å; C339-G369 PolarHBondContact N-O 2.96Å
370	E	95.4	Very high	93.8	Very high	93 Å²	93	53.1 Å²	53.1	44%	0.435	29%	0.285	S	S	.	.			trans	-68.7	152.4	179.4	-54.2	-171.3	158.1	0	0	112.4	P337 T345 Y347 Y367 R372	P337-E370 HydrophobicContact CB-CG 3.77Å; P337-E370 HydrophobicContact CG-CG 3.38Å; T345-E370 HydrophobicContact CG2-CB 3.95Å; T345-E370 HydrophobicContact CG2-CG 3.88Å; Y347-E370 WeakPolarHBondContact CE1-OE1 3.07Å; Y347-E370 PolarHBondContact OH-OE1 2.63Å; Y367-E370 WeakPolarHBondContact CE2-O 3.45Å; E370-R372 PolarHBondContact O-N 3.28Å
371	C	96	Very high	93.9	Very high	28 Å²	28	57.1 Å²	57.1	19%	0.189	30%	0.303	C	S	.	.			trans	-63.8	125.1	170.9	-62.5	0	0	0	0	110.7	C339 Q344 T345 Y367	C339-C371 WeakPolarHBondContact CA-SG 3.22Å; C339-C371 HydrophobicContact CB-CB 4.02Å; C339-C371 WeakPolarHBondContact CB-SG 3.03Å; C339-C371 WeakPolarHBondContact SG-CA 3.18Å; C339-C371 WeakPolarHBondContact SG-CB 3.35Å; C339-C371 CovalentContact SG-SG 2.04Å; C339-C371 PolarHBondContact SG-SG 3.39Å; Q344-C371 PolarHBondContact O-SG 2.83Å; T345-C371 PolarHBondContact OG1-N 3.13Å; Y367-C371 WeakPolarHBondContact OH-CA 3.49Å
372	R	94.1	Very high	93.9	Very high	125 Å²	125	57.6 Å²	57.6	47%	0.472	31%	0.308	S	S	.	.			trans	-116.5	150.9	179.9	-69.3	178.9	-70.5	161.3	3.3	111.2	Y367 E370 V375 D379	Y367-R372 PolarHBondContact OH-N 3.5Å; Y367-R372 VanDerWaalsContact OH-N 3.13Å; E370-R372 PolarHBondContact O-N 3.28Å; R372-V375 HydrophobicContact CB-CB 4.42Å; R372-V375 HydrophobicContact CB-CG1 3.49Å; R372-V375 VanDerWaalsContact CB-CG1 3.49Å; R372-V375 HydrophobicContact CB-CG2 4.04Å; R372-V375 HydrophobicContact CG-CG1 4.5Å; R372-V375 WeakPolarHBondContact O-CG2 3.05Å; R372-D379 PolarHBondContact NH2-O 2.86Å
373	S	92.4	Very high	93.8	Very high	106 Å²	106	58.5 Å²	58.5	74%	0.741	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	146.9	174.4	60.2	0	0	0	0	110.8	V375	S373-V375 PolarHBondContact O-N 3.11Å; S373-V375 VanDerWaalsContact O-N 3.1Å
374	K	88.6	Confident	93.7	Very high	212 Å²	212	61.8 Å²	61.8	92%	0.922	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	21.1	176.4	-54.2	-177.9	179	-177.2	0	115.7
375	V	94.5	Very high	93.6	Very high	21 Å²	21	67.2 Å²	67.2	13%	0.127	37%	0.365	C	S	.	.			trans	-84.4	148.5	173.4	-68	0	0	0	0	111.4	R372 S373 D379 I380 P398	R372-V375 HydrophobicContact CB-CB 4.42Å; R372-V375 HydrophobicContact CB-CG1 3.49Å; R372-V375 VanDerWaalsContact CB-CG1 3.49Å; R372-V375 HydrophobicContact CB-CG2 4.04Å; R372-V375 HydrophobicContact CG-CG1 4.5Å; R372-V375 WeakPolarHBondContact O-CG2 3.05Å; S373-V375 PolarHBondContact O-N 3.11Å; S373-V375 VanDerWaalsContact O-N 3.1Å; V375-D379 HydrophobicContact CB-CB 4.22Å; V375-D379 HydrophobicContact CG1-CB 4.38Å; V375-I380 HydrophobicContact CB-CG2 4.41Å; V375-I380 HydrophobicContact CG2-CG2 4.25Å; V375-P398 HydrophobicContact CG2-CG 4.06Å; V375-P398 WeakPolarHBondContact O-CD 3.44Å; V375-P398 VanDerWaalsContact O-CG 3.29Å; V375-P398 WeakPolarHBondContact O-CG 3.36Å
376	T	95.9	Very high	93.5	Very high	74 Å²	74	70.2 Å²	70.2	45%	0.454	38%	0.381	S	S	.	.			trans	-111.8	175.4	177.1	71.1	0	0	0	0	111.1	S378 D379 P398	T376-S378 PolarHBondContact O-N 2.86Å; T376-S378 VanDerWaalsContact O-N 3.17Å; T376-S378 PolarHBondContact OG1-N 2.74Å; T376-D379 WeakPolarHBondContact CB-OD2 3.32Å; T376-D379 PolarHBondContact N-OD2 2.76Å; T376-D379 PolarHBondContact O-N 3.49Å; T376-D379 PolarHBondContact OG1-OD2 2.71Å; T376-P398 VanDerWaalsContact C-CG 3.48Å
377	C	96.3	Very high	93.4	Very high	42 Å²	42	71 Å²	71	28%	0.284	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	175.8	-77.4	0	0	0	0	114.2	D379 C389 S390	C377-D379 VanDerWaalsContact C-N 3.32Å; C377-C389 WeakPolarHBondContact CA-SG 3.46Å; C377-C389 HydrophobicContact CB-CB 3.58Å; C377-C389 WeakPolarHBondContact CB-SG 3.42Å; C377-C389 WeakPolarHBondContact SG-CB 3.38Å; C377-C389 CovalentContact SG-SG 2.04Å; C377-C389 PolarHBondContact SG-SG 2.87Å; C377-S390 PolarHBondContact SG-N 3.03Å; C377-S390 VanDerWaalsContact SG-N 3.44Å
378	S	95.2	Very high	93.4	Very high	114 Å²	114	74.5 Å²	74.5	80%	0.797	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-20.1	176.8	-54.7	0	0	0	0	112.9	T376	T376-S378 PolarHBondContact O-N 2.86Å; T376-S378 VanDerWaalsContact O-N 3.17Å; T376-S378 PolarHBondContact OG1-N 2.74Å
379	D	95.3	Very high	93.5	Very high	83 Å²	83	72.4 Å²	72.4	44%	0.444	39%	0.392	S	S	.	.	S	Bend	trans	-97.4	-4.7	-172.6	-52.7	-57.2	0	0	0	113.1	R372 V375 T376 C377	R372-D379 PolarHBondContact NH2-O 2.86Å; V375-D379 HydrophobicContact CB-CB 4.22Å; V375-D379 HydrophobicContact CG1-CB 4.38Å; T376-D379 WeakPolarHBondContact CB-OD2 3.32Å; T376-D379 PolarHBondContact N-OD2 2.76Å; T376-D379 PolarHBondContact O-N 3.49Å; T376-D379 PolarHBondContact OG1-OD2 2.71Å; C377-D379 VanDerWaalsContact C-N 3.32Å
380	I	95	Very high	93.6	Very high	21 Å²	21	71.6 Å²	71.6	11%	0.108	38%	0.383	C	S	.	.			trans	-114.7	155.7	-172.6	63	85	0	0	0	111.1	Y367 V375 C389 P398 C400	Y367-I380 HydrophobicContact CD1-CB 4.45Å; Y367-I380 HydrophobicContact CD1-CG2 4.22Å; Y367-I380 HydrophobicContact CD2-CB 4.16Å; Y367-I380 HydrophobicContact CD2-CG2 4.03Å; Y367-I380 HydrophobicContact CE1-CG2 4.2Å; Y367-I380 HydrophobicContact CE2-CG2 4.02Å; Y367-I380 HydrophobicContact CG-CB 4.05Å; Y367-I380 HydrophobicContact CG-CG2 4.13Å; V375-I380 HydrophobicContact CB-CG2 4.41Å; V375-I380 HydrophobicContact CG2-CG2 4.25Å; I380-C389 HydrophobicContact CD1-CB 4.26Å; I380-P398 HydrophobicContact CG1-CB 3.85Å; I380-P398 HydrophobicContact CG2-CB 4.21Å; I380-P398 HydrophobicContact CG2-CG 4.2Å; I380-C400 WeakPolarHBondContact CD1-SG 3.32Å
381	Q	93.3	Very high	93.6	Very high	124 Å²	124	69.8 Å²	69.8	58%	0.579	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-108.4	117.9	173	-172.7	175.6	3.2	0	0	109.6	K368	K368-Q381 PolarHBondContact N-O 2.04Å
382	C	94.1	Very high	93.6	Very high	25 Å²	25	69.4 Å²	69.4	17%	0.169	38%	0.375	C	S	.	.			trans	-68.3	152.7	172.5	-65.8	0	0	0	0	111.3	R384 M387 C400	C382-R384 WeakPolarHBondContact CB-O 2.98Å; C382-R384 PolarHBondContact O-N 3.15Å; C382-R384 VanDerWaalsContact O-N 3.15Å; C382-M387 HydrophobicContact CB-CB 3.85Å; C382-M387 HydrophobicContact CB-SD 4.38Å; C382-C400 WeakPolarHBondContact CA-SG 3.5Å; C382-C400 HydrophobicContact CB-CB 3.62Å; C382-C400 WeakPolarHBondContact CB-SG 3.49Å; C382-C400 WeakPolarHBondContact SG-CB 3.36Å; C382-C400 CovalentContact SG-SG 2.03Å; C382-C400 PolarHBondContact SG-SG 3.38Å
383	P	90.2	Very high	93.7	Very high	28 Å²	28	65.6 Å²	65.6	18%	0.182	36%	0.362	C	S	.	.	S	Bend	trans	-52.8	-36.3	177.3	-29.1	35.3	0	0	0	113.9	I365 K368 M387	I365-P383 HydrophobicContact CG2-CG 4.25Å; K368-P383 PolarHBondContact NZ-O 2.95Å; P383-M387 HydrophobicContact CB-SD 3.94Å; P383-M387 HydrophobicContact CG-CE 4.48Å; P383-M387 HydrophobicContact CG-SD 4.09Å
384	R	89.8	Confident	93.7	Very high	70 Å²	70	66.2 Å²	66.2	26%	0.264	36%	0.357	S	S	.	.	S	Bend	trans	-130.1	151.4	176.8	-68.1	177.6	-77.7	143.9	-2	111.2	C382 D386 M387 D402	C382-R384 WeakPolarHBondContact CB-O 2.98Å; C382-R384 PolarHBondContact O-N 3.15Å; C382-R384 VanDerWaalsContact O-N 3.15Å; R384-D386 VanDerWaalsContact C-N 3.34Å; R384-D386 WeakPolarHBondContact CB-OD1 3.1Å; R384-D386 PolarHBondContact O-N 3.31Å; R384-M387 HydrophobicContact CB-CG 3.96Å; R384-M387 HydrophobicContact CB-SD 3.97Å; R384-M387 WeakPolarHBondContact O-CB 3.03Å; R384-M387 PolarHBondContact O-N 2.6Å; R384-D402 IonicContact CZ-OD2 3.36Å; R384-D402 VanDerWaalsContact CZ-OD2 3.29Å; R384-D402 IonicContact NH1-OD2 2.98Å; R384-D402 PolarHBondContact NH1-OD2 3.01Å; R384-D402 IonicContact NH2-OD2 3.39Å; R384-D402 PolarHBondContact NH2-OD2 2.86Å
385	P	89.5	Confident	93.9	Very high	137 Å²	137	60.4 Å²	60.4	89%	0.89	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.2	-173.3	28.4	-35.9	0	0	0	114.7	M387	P385-M387 VanDerWaalsContact C-N 3.33Å
386	D	90.4	Very high	93.9	Very high	81 Å²	81	61.4 Å²	61.4	43%	0.433	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.7	179.8	62.6	-34.6	0	0	0	113.5	R384 A404	R384-D386 VanDerWaalsContact C-N 3.34Å; R384-D386 WeakPolarHBondContact CB-OD1 3.1Å; R384-D386 PolarHBondContact O-N 3.31Å; D386-A404 HydrophobicContact CB-CB 4.38Å
387	M	93.3	Very high	93.9	Very high	16 Å²	16	58.4 Å²	58.4	8%	0.079	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-76.8	142	178.5	-67.8	-179.7	74.8	0	0	111.6	C382 P383 R384 P385 C400 M401 P452	C382-M387 HydrophobicContact CB-CB 3.85Å; C382-M387 HydrophobicContact CB-SD 4.38Å; P383-M387 HydrophobicContact CB-SD 3.94Å; P383-M387 HydrophobicContact CG-CE 4.48Å; P383-M387 HydrophobicContact CG-SD 4.09Å; R384-M387 HydrophobicContact CB-CG 3.96Å; R384-M387 HydrophobicContact CB-SD 3.97Å; R384-M387 WeakPolarHBondContact O-CB 3.03Å; R384-M387 PolarHBondContact O-N 2.6Å; P385-M387 VanDerWaalsContact C-N 3.33Å; M387-C400 HydrophobicContact CB-CB 4.34Å; M387-C400 VanDerWaalsContact CE-C 3.49Å; M387-C400 HydrophobicContact CE-CB 3.73Å; M387-C400 HydrophobicContact SD-CB 4.47Å; M387-M401 WeakPolarHBondContact CA-O 3.32Å; M387-M401 WeakPolarHBondContact CB-O 3.43Å; M387-P452 HydrophobicContact CE-CB 3.96Å; M387-P452 HydrophobicContact CE-CG 3.36Å; M387-P452 HydrophobicContact SD-CG 4.45Å
388	R	94.4	Very high	94	Very high	73 Å²	73	56.4 Å²	56.4	28%	0.275	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.5	173.2	-178.6	171.1	179	-99	0.4	109.4	S390 C400 M401 C403 N484 C485 S487 D488	R388-S390 PolarHBondContact NH1-OG 2.88Å; R388-S390 VanDerWaalsContact NH1-OG 3.08Å; R388-C400 CarbonylContact O-C 3.49Å; R388-C400 WeakPolarHBondContact O-CA 3.4Å; R388-M401 PolarHBondContact N-O 3.31Å; R388-M401 WeakPolarHBondContact O-CG 3.44Å; R388-M401 PolarHBondContact O-N 2.71Å; R388-C403 HydrophobicContact CB-CB 4.07Å; R388-N484 PolarHBondContact NH1-O 3.04Å; R388-C485 PolarHBondContact NH1-O 3.01Å; R388-S487 VanDerWaalsContact CZ-O 3.27Å; R388-S487 PolarHBondContact NH1-O 3.15Å; R388-S487 PolarHBondContact NH2-O 3.37Å; R388-D488 IonicContact NH2-OD1 3.37Å
389	C	95.9	Very high	94	Very high	27 Å²	27	51 Å²	51	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139	170.6	-179.7	0	0	0	0	111.2	C377 I380 I399	C377-C389 WeakPolarHBondContact CA-SG 3.46Å; C377-C389 HydrophobicContact CB-CB 3.58Å; C377-C389 WeakPolarHBondContact CB-SG 3.42Å; C377-C389 WeakPolarHBondContact SG-CB 3.38Å; C377-C389 CovalentContact SG-SG 2.04Å; C377-C389 PolarHBondContact SG-SG 2.87Å; I380-C389 HydrophobicContact CD1-CB 4.26Å; C389-I399 WeakPolarHBondContact CA-O 2.96Å
390	S	96	Very high	94	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.7	168.9	-59.4	0	0	0	0	111.2	C377 R388 I399	C377-S390 PolarHBondContact SG-N 3.03Å; C377-S390 VanDerWaalsContact SG-N 3.44Å; R388-S390 PolarHBondContact NH1-OG 2.88Å; R388-S390 VanDerWaalsContact NH1-OG 3.08Å; S390-I399 PolarHBondContact N-O 2.86Å; S390-I399 PolarHBondContact O-N 2.75Å
391	P	96.6	Very high	93.9	Very high	55 Å²	55	46.3 Å²	46.3	36%	0.357	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.4	176.4	27.5	-35.5	0	0	0	111.7	H393 G396 Q397 D488 K489 F490	P391-H393 PolarHBondContact O-N 3.05Å; P391-G396 WeakPolarHBondContact CB-O 3.23Å; P391-Q397 CarbonylContact C-O 3.59Å; P391-Q397 WeakPolarHBondContact CA-O 3.35Å; P391-D488 WeakPolarHBondContact CD-O 3.19Å; P391-K489 WeakPolarHBondContact O-CA 3.38Å; P391-F490 PolarHBondContact O-N 3.09Å
392	H	96	Very high	93.7	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.093	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-60.6	134.7	172	-172.6	-89.2	0	0	0	110.7	L394 T395 G396 Q397 I399 F490	H392-L394 PolarHBondContact ND1-N 3.34Å; H392-L394 VanDerWaalsContact ND1-N 3.19Å; H392-L394 PolarHBondContact O-N 2.94Å; H392-L394 VanDerWaalsContact O-N 3.12Å; H392-T395 VanDerWaalsContact CB-OG1 3.27Å; H392-T395 WeakPolarHBondContact CB-OG1 2.81Å; H392-T395 PolarHBondContact ND1-N 3.2Å; H392-T395 PolarHBondContact ND1-OG1 3.16Å; H392-T395 PolarHBondContact O-N 3Å; H392-G396 WeakPolarHBondContact O-CA 3.47Å; H392-G396 PolarHBondContact O-N 3.47Å; H392-Q397 HydrophobicContact CB-CB 4.34Å; H392-Q397 PolarHBondContact N-O 3.3Å; H392-I399 HydrophobicContact CB-CD1 3.71Å; H392-F490 AromaticContact CD2-CD1 3.72Å
393	H	94.5	Very high	93.6	Very high	45 Å²	45	40.8 Å²	40.8	21%	0.208	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23	-170.2	78.9	99	0	0	0	115.1	P391 S469 N470 K489 F490	P391-H393 PolarHBondContact O-N 3.05Å; H393-S469 PolarHBondContact CD2-OG 3.09Å; H393-S469 VanDerWaalsContact CD2-OG 3.22Å; H393-S469 VanDerWaalsContact CE1-C 3.47Å; H393-S469 PolarHBondContact CE1-O 3.02Å; H393-S469 VanDerWaalsContact CE1-O 3.25Å; H393-S469 WeakPolarHBondContact NE2-CB 3.39Å; H393-S469 PolarHBondContact NE2-O 3.28Å; H393-S469 PolarHBondContact NE2-OG 3.01Å; H393-N470 WeakPolarHBondContact CE1-CA 3.4Å; H393-N470 PolarHBondContact CE1-N 2.82Å; H393-N470 PolarHBondContact NE2-N 3.38Å; H393-K489 HydrophobicContact CB-CB 3.94Å; H393-K489 HydrophobicContact CB-CD 4.16Å; H393-F490 PolarHBondContact CD2-O 3.46Å; H393-F490 VanDerWaalsContact CD2-O 3.27Å; H393-F490 PolarHBondContact N-O 3.09Å
394	L	92.5	Very high	93.3	Very high	120 Å²	120	42.3 Å²	42.3	63%	0.628	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-40.8	176.7	-60.9	174.9	0	0	0	113.7	H392	H392-L394 PolarHBondContact ND1-N 3.34Å; H392-L394 VanDerWaalsContact ND1-N 3.19Å; H392-L394 PolarHBondContact O-N 2.94Å; H392-L394 VanDerWaalsContact O-N 3.12Å
395	T	93.6	Very high	92.8	Very high	90 Å²	90	45.7 Å²	45.7	55%	0.552	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-14.2	-166.3	59.1	0	0	0	0	112.1	H392 Q397	H392-T395 VanDerWaalsContact CB-OG1 3.27Å; H392-T395 WeakPolarHBondContact CB-OG1 2.81Å; H392-T395 PolarHBondContact ND1-N 3.2Å; H392-T395 PolarHBondContact ND1-OG1 3.16Å; H392-T395 PolarHBondContact O-N 3Å; T395-Q397 PolarHBondContact O-N 2.85Å; T395-Q397 WeakPolarHBondContact OG1-CB 3.1Å; T395-Q397 PolarHBondContact OG1-N 3.06Å
396	G	94.3	Very high	92.3	Very high	41 Å²	41	42 Å²	42	42%	0.423	24%	0.236	S	C	.	.			trans	71.6	-3.8	-172.8	0	0	0	0	0	114.3	P391 H392	P391-G396 WeakPolarHBondContact CB-O 3.23Å; H392-G396 WeakPolarHBondContact O-CA 3.47Å; H392-G396 PolarHBondContact O-N 3.47Å
397	Q	95.8	Very high	91.4	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.051	22%	0.223	C	C	.	.			trans	-58.1	130.7	-177.9	-173.9	-166.5	-3	0	0	110.8	C339 S340 T341 N343 Y367 P391 H392 T395 I399	C339-Q397 PolarHBondContact SG-NE2 3.41Å; S340-Q397 PolarHBondContact O-NE2 3.45Å; T341-Q397 PolarHBondContact O-OE1 3.12Å; N343-Q397 VanDerWaalsContact CB-OE1 3.31Å; Y367-Q397 HydrophobicContact CE1-CG 4.4Å; P391-Q397 CarbonylContact C-O 3.59Å; P391-Q397 WeakPolarHBondContact CA-O 3.35Å; H392-Q397 HydrophobicContact CB-CB 4.34Å; H392-Q397 PolarHBondContact N-O 3.3Å; T395-Q397 PolarHBondContact O-N 2.85Å; T395-Q397 WeakPolarHBondContact OG1-CB 3.1Å; T395-Q397 PolarHBondContact OG1-N 3.06Å; Q397-I399 PolarHBondContact O-N 2.89Å
398	P	97.6	Very high	90.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.3	173.9	-24.1	35.3	0	0	0	111.7	Y367 V375 T376 I380	Y367-P398 HydrophobicContact CD1-CB 4.46Å; Y367-P398 VanDerWaalsContact CD1-O 3.28Å; Y367-P398 WeakPolarHBondContact CD1-O 3.07Å; Y367-P398 HydrophobicContact CE1-CB 4.45Å; Y367-P398 WeakPolarHBondContact CE1-O 3.4Å; V375-P398 HydrophobicContact CG2-CG 4.06Å; V375-P398 WeakPolarHBondContact O-CD 3.44Å; V375-P398 VanDerWaalsContact O-CG 3.29Å; V375-P398 WeakPolarHBondContact O-CG 3.36Å; T376-P398 VanDerWaalsContact C-CG 3.48Å; I380-P398 HydrophobicContact CG1-CB 3.85Å; I380-P398 HydrophobicContact CG2-CB 4.21Å; I380-P398 HydrophobicContact CG2-CG 4.2Å
399	I	96.6	Very high	89.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.8	177.4	-66.3	171	0	0	0	109.5	T341 A366 C389 S390 H392 Q397 F490	T341-I399 HydrophobicContact CG2-CD1 4.3Å; T341-I399 HydrophobicContact CG2-CG1 4.45Å; T341-I399 HydrophobicContact CG2-CG2 4.04Å; A366-I399 HydrophobicContact CB-CG1 4.06Å; C389-I399 WeakPolarHBondContact CA-O 2.96Å; S390-I399 PolarHBondContact N-O 2.86Å; S390-I399 PolarHBondContact O-N 2.75Å; H392-I399 HydrophobicContact CB-CD1 3.71Å; Q397-I399 PolarHBondContact O-N 2.89Å; I399-F490 HydrophobicContact CB-CB 4.36Å; I399-F490 HydrophobicContact CB-CD1 4.32Å; I399-F490 HydrophobicContact CB-CD2 4.26Å; I399-F490 HydrophobicContact CB-CG 4.06Å; I399-F490 HydrophobicContact CD1-CB 4.32Å; I399-F490 HydrophobicContact CD1-CD1 3.23Å; I399-F490 HydrophobicContact CD1-CE1 3.53Å; I399-F490 HydrophobicContact CD1-CG 3.83Å; I399-F490 HydrophobicContact CD1-CZ 4.36Å; I399-F490 HydrophobicContact CG1-CD1 4.34Å; I399-F490 HydrophobicContact CG2-CD1 4.14Å; I399-F490 HydrophobicContact CG2-CD2 3.66Å; I399-F490 HydrophobicContact CG2-CE1 4.11Å; I399-F490 HydrophobicContact CG2-CE2 3.67Å; I399-F490 HydrophobicContact CG2-CG 3.9Å; I399-F490 HydrophobicContact CG2-CZ 3.89Å
400	C	95.7	Very high	89	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.6	173.7	-59.7	0	0	0	0	111.5	A366 I380 C382 M387 R388	A366-C400 WeakPolarHBondContact O-CB 3.33Å; A366-C400 PolarHBondContact O-N 2.94Å; A366-C400 PolarHBondContact O-SG 3.11Å; I380-C400 WeakPolarHBondContact CD1-SG 3.32Å; C382-C400 WeakPolarHBondContact CA-SG 3.5Å; C382-C400 HydrophobicContact CB-CB 3.62Å; C382-C400 WeakPolarHBondContact CB-SG 3.49Å; C382-C400 WeakPolarHBondContact SG-CB 3.36Å; C382-C400 CovalentContact SG-SG 2.03Å; C382-C400 PolarHBondContact SG-SG 3.38Å; M387-C400 HydrophobicContact CB-CB 4.34Å; M387-C400 VanDerWaalsContact CE-C 3.49Å; M387-C400 HydrophobicContact CE-CB 3.73Å; M387-C400 HydrophobicContact SD-CB 4.47Å; R388-C400 CarbonylContact O-C 3.49Å; R388-C400 WeakPolarHBondContact O-CA 3.4Å
401	M	91.7	Very high	88	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.7	178.4	52.4	-177.1	161.9	0	0	111.5	M387 R388 C403 N484 F490	M387-M401 WeakPolarHBondContact CA-O 3.32Å; M387-M401 WeakPolarHBondContact CB-O 3.43Å; R388-M401 PolarHBondContact N-O 3.31Å; R388-M401 WeakPolarHBondContact O-CG 3.44Å; R388-M401 PolarHBondContact O-N 2.71Å; M401-C403 PolarHBondContact O-N 2.85Å; M401-N484 HydrophobicContact CE-CB 4.12Å; M401-N484 WeakPolarHBondContact CE-O 3.49Å; M401-N484 HydrophobicContact SD-CB 3.48Å; M401-N484 WeakPolarHBondContact SD-CB 3.4Å; M401-F490 HydrophobicContact CE-CD2 4.38Å; M401-F490 HydrophobicContact SD-CD2 3.83Å; M401-F490 HydrophobicContact SD-CE2 4.29Å
402	D	90.2	Very high	86.3	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.053	28%	0.283	C	S	.	.			trans	-83.4	99.2	-177.9	-168.7	-19.5	0	0	0	111.5	R384 A404 W454 H481	R384-D402 IonicContact CZ-OD2 3.36Å; R384-D402 VanDerWaalsContact CZ-OD2 3.29Å; R384-D402 IonicContact NH1-OD2 2.98Å; R384-D402 PolarHBondContact NH1-OD2 3.01Å; R384-D402 IonicContact NH2-OD2 3.39Å; R384-D402 PolarHBondContact NH2-OD2 2.86Å; D402-A404 PolarHBondContact OD1-N 2.9Å; D402-W454 HydrophobicContact CB-CB 4.06Å; D402-W454 PolarHBondContact OD2-N 3.14Å; D402-H481 PolarHBondContact O-CE1 3.47Å; D402-H481 PolarHBondContact O-NE2 3.08Å
403	C	90	Very high	84.7	Confident	24 Å²	24	52.7 Å²	52.7	16%	0.162	31%	0.307	C	S	.	.			trans	-108.8	1.3	-179.5	-61.1	0	0	0	0	113.6	R388 M401 K405 C485	R388-C403 HydrophobicContact CB-CB 4.07Å; M401-C403 PolarHBondContact O-N 2.85Å; C403-K405 PolarHBondContact O-N 3.02Å; C403-C485 WeakPolarHBondContact CA-SG 3.24Å; C403-C485 HydrophobicContact CB-CB 3.74Å; C403-C485 WeakPolarHBondContact CB-SG 3.29Å; C403-C485 WeakPolarHBondContact SG-CA 3.39Å; C403-C485 WeakPolarHBondContact SG-CB 3.39Å; C403-C485 CovalentContact SG-SG 2.04Å; C403-C485 PolarHBondContact SG-SG 2.8Å
404	A	85.2	Confident	82.5	Confident	59 Å²	59	57 Å²	57	49%	0.488	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-31.6	-172.7	0	0	0	0	0	112.4	D386 D402	D386-A404 HydrophobicContact CB-CB 4.38Å; D402-A404 PolarHBondContact OD1-N 2.9Å
405	K	78.3	Confident	80.2	Confident	141 Å²	141	62.3 Å²	62.3	61%	0.613	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	76.8	-179	-64.4	-179.2	-177.3	177.2	0	111	C403 T456	C403-K405 PolarHBondContact O-N 3.02Å; K405-T456 HydrophobicContact CB-CG2 4.05Å
406	L	78.9	Confident	77.7	Confident	59 Å²	59	65.4 Å²	65.4	31%	0.309	35%	0.35	S	S	.	.			trans	-63.5	137.6	172.7	-75.6	176	0	0	0	110.9	L408 V482 C485 L486	L406-L408 PolarHBondContact O-N 3.45Å; L406-V482 HydrophobicContact CD2-CG2 4.08Å; L406-C485 HydrophobicContact CD1-CB 3.92Å; L406-C485 HydrophobicContact CD2-CB 3.74Å; L406-C485 HydrophobicContact CG-CB 4.24Å; L406-L486 HydrophobicContact CD1-CD2 4.3Å
407	P	71.5	Confident	75.2	Confident	22 Å²	22	66.2 Å²	66.2	14%	0.143	36%	0.359	C	S	.	.			trans	-63.8	132.9	175.2	23.6	-28	0	0	0	110.2	D409 W454 V458 C478 V482	P407-D409 VanDerWaalsContact C-N 3.29Å; P407-D409 PolarHBondContact O-N 2.95Å; P407-W454 HydrophobicContact CG-CZ2 4.16Å; P407-V458 HydrophobicContact CB-CB 4.02Å; P407-V458 HydrophobicContact CB-CG2 3.75Å; P407-V458 HydrophobicContact CG-CG2 4.13Å; P407-C478 WeakPolarHBondContact CG-SG 3.01Å; P407-V482 HydrophobicContact CG-CG2 4.19Å
408	L	72.6	Confident	72.6	Confident	188 Å²	188	73.4 Å²	73.4	98%	0.984	39%	0.393	S	S	*	.	S	Bend	trans	-65.7	-33.3	178.7	-69.6	166.1	0	0	0	112.3	L406	L406-L408 PolarHBondContact O-N 3.45Å
409	D	77.6	Confident	69.8	Low	82 Å²	82	81.4 Å²	81.4	44%	0.439	43%	0.43	S	S	.	.			trans	-139.9	112.9	-179.2	-176.4	8.2	0	0	0	110.6	P407 N411 A412	P407-D409 VanDerWaalsContact C-N 3.29Å; P407-D409 PolarHBondContact O-N 2.95Å; D409-N411 VanDerWaalsContact C-N 3.28Å; D409-N411 WeakPolarHBondContact OD1-CA 3.28Å; D409-N411 WeakPolarHBondContact OD1-CB 3.42Å; D409-N411 PolarHBondContact OD1-N 2.91Å; D409-A412 HydrophobicContact CB-CB 4.25Å; D409-A412 PolarHBondContact OD1-N 2.84Å; D409-A412 WeakPolarHBondContact OD2-CA 3.07Å; D409-A412 PolarHBondContact OD2-N 3.02Å
410	C	82.8	Confident	66.7	Low	8 Å²	8	86.6 Å²	86.6	5%	0.054	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.5	174.3	-74.5	0	0	0	0	113.7	T460 N476 C478 F479	C410-T460 WeakPolarHBondContact O-CB 3.4Å; C410-T460 PolarHBondContact O-OG1 3.47Å; C410-N476 PolarHBondContact O-ND2 2.03Å; C410-N476 VanDerWaalsContact O-ND2 3.14Å; C410-C478 WeakPolarHBondContact CA-SG 2.99Å; C410-C478 HydrophobicContact CB-CB 3.73Å; C410-C478 WeakPolarHBondContact CB-SG 3.35Å; C410-C478 WeakPolarHBondContact SG-CB 2.98Å; C410-C478 CovalentContact SG-SG 2.05Å; C410-C478 PolarHBondContact SG-SG 3.06Å; C410-F479 HydrophobicContact CB-CD1 4.18Å; C410-F479 HydrophobicContact CB-CD2 3.66Å; C410-F479 HydrophobicContact CB-CE1 3.92Å; C410-F479 HydrophobicContact CB-CE2 3.35Å; C410-F479 HydrophobicContact CB-CG 4.06Å; C410-F479 HydrophobicContact CB-CZ 3.5Å; C410-F479 VanDerWaalsContact CB-CZ 3.5Å
411	N	76	Confident	63.7	Low	81 Å²	81	93.2 Å²	93.2	43%	0.433	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	10.9	173.5	-67.6	-37.1	0	0	0	112.6	D409 S413 R475 F479	D409-N411 VanDerWaalsContact C-N 3.28Å; D409-N411 WeakPolarHBondContact OD1-CA 3.28Å; D409-N411 WeakPolarHBondContact OD1-CB 3.42Å; D409-N411 PolarHBondContact OD1-N 2.91Å; N411-S413 PolarHBondContact O-N 3.15Å; N411-R475 WeakPolarHBondContact OD1-CD 2.96Å; N411-F479 VanDerWaalsContact OD1-CE2 3.32Å; N411-F479 WeakPolarHBondContact OD1-CE2 3.39Å; N411-F479 WeakPolarHBondContact OD1-CZ 3.42Å
412	A	61.8	Low	60.9	Low	33 Å²	33	99.2 Å²	99.2	27%	0.273	53%	0.533	S	S	.	.			trans	-52.1	108.2	-175.6	0	0	0	0	0	110.8	D409	D409-A412 HydrophobicContact CB-CB 4.25Å; D409-A412 PolarHBondContact OD1-N 2.84Å; D409-A412 WeakPolarHBondContact OD2-CA 3.07Å; D409-A412 PolarHBondContact OD2-N 3.02Å
413	S	60.9	Low	58	Low	87 Å²	87	103.9 Å²	103.9	61%	0.608	57%	0.566	S	S	*	*			trans	-96.5	136	174.5	54.4	0	0	0	0	108.2	N411 R415	N411-S413 PolarHBondContact O-N 3.15Å; S413-R415 PolarHBondContact O-N 2.8Å
414	F	48.1	Very low	55.5	Low	135 Å²	135	108 Å²	108	59%	0.592	60%	0.595	S	S	*	*			trans	-63.8	104.3	173.3	-163.7	-102.2	0	0	0	108	N416	F414-N416 PolarHBondContact O-N 2.7Å
415	R	44.3	Very low	52.7	Low	232 Å²	232	111.5 Å²	111.5	88%	0.875	61%	0.611	S	S	*	*			trans	-74.4	108.2	159.8	-75.7	-170.5	176	-167.3	-0.5	106	S413 G417	S413-R415 PolarHBondContact O-N 2.8Å; R415-G417 PolarHBondContact O-N 3.15Å; R415-G417 VanDerWaalsContact O-N 3.14Å
416	N	42.2	Very low	50.7	Low	154 Å²	154	109.8 Å²	109.8	82%	0.824	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-1.3	98.3	169.5	-74.6	-11.7	0	0	0	115.7	F414 Q418	F414-N416 PolarHBondContact O-N 2.7Å; N416-Q418 PolarHBondContact O-N 2.88Å
417	G	42.2	Very low	48.5	Very low	58 Å²	58	112 Å²	112	60%	0.598	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.2	17	135.9	0	0	0	0	0	119.3	R415	R415-G417 PolarHBondContact O-N 3.15Å; R415-G417 VanDerWaalsContact O-N 3.14Å
418	Q	40.4	Very low	46.4	Very low	163 Å²	163	116 Å²	116	76%	0.762	67%	0.666	S	S	*	*			trans	-115.3	95.3	170.4	-91.6	176.6	-28.2	0	0	111.7	N416 T420	N416-Q418 PolarHBondContact O-N 2.88Å; Q418-T420 HydrophobicContact CB-CG2 4.46Å; Q418-T420 PolarHBondContact O-N 3.46Å
419	E	38.3	Very low	44.5	Very low	168 Å²	168	113 Å²	113	79%	0.785	66%	0.66	S	S	*	*			trans	-60.8	80.9	153.4	-67.7	-176.7	158.5	0	0	108.7	L421	E419-L421 HydrophobicContact CB-CD1 4.27Å; E419-L421 PolarHBondContact O-N 3.43Å
420	T	31.2	Very low	42.2	Very low	110 Å²	110	114.6 Å²	114.6	68%	0.675	68%	0.678	S	S	*	*			trans	-77.5	78.3	160.4	52.9	0	0	0	0	107.2	Q418 T422	Q418-T420 HydrophobicContact CB-CG2 4.46Å; Q418-T420 PolarHBondContact O-N 3.46Å; T420-T422 PolarHBondContact O-N 3.42Å
421	L	34.1	Very low	39.8	Very low	142 Å²	142	119.3 Å²	119.3	74%	0.743	71%	0.711	S	S	*	*			trans	-58	85.3	161	-79.2	145.7	0	0	0	107.6	E419 S423	E419-L421 HydrophobicContact CB-CD1 4.27Å; E419-L421 PolarHBondContact O-N 3.43Å; L421-S423 PolarHBondContact O-N 2.9Å
422	T	31.4	Very low	37.6	Very low	127 Å²	127	120.5 Å²	120.5	78%	0.779	73%	0.726	S	S	*	*			trans	-69.1	90.1	163.4	49.8	0	0	0	0	107.3	T420 S424	T420-T422 PolarHBondContact O-N 3.42Å; T422-S424 PolarHBondContact O-N 3.45Å
423	S	30.9	Very low	36	Very low	108 Å²	108	124.3 Å²	124.3	76%	0.755	75%	0.75	S	S	*	*			trans	-9.6	85.2	154.4	-47.3	0	0	0	0	115.3	L421	L421-S423 PolarHBondContact O-N 2.9Å
424	S	36.4	Very low	34.4	Very low	110 Å²	110	125.8 Å²	125.8	77%	0.769	76%	0.761	S	S	*	*			trans	-92.5	95.6	143.1	53.6	0	0	0	0	106.6	T422 S426	T422-S424 PolarHBondContact O-N 3.45Å; S424-S426 PolarHBondContact O-N 2.92Å
425	T	26.8	Very low	33.6	Very low	134 Å²	134	125.3 Å²	125.3	82%	0.822	77%	0.774	S	S	*	*			trans	-46.8	110.8	178.5	41	0	0	0	0	113.4
426	S	36.2	Very low	32.8	Very low	104 Å²	104	119.1 Å²	119.1	73%	0.727	77%	0.766	S	S	*	*			trans	-155.6	99.5	147.4	29.9	0	0	0	0	110.3	S424	S424-S426 PolarHBondContact O-N 2.92Å
427	S	32.1	Very low	32.3	Very low	106 Å²	106	118 Å²	118	74%	0.741	77%	0.771	S	S	*	*			trans	56.1	99.6	147.7	52.5	0	0	0	0	119.3
428	S	28.6	Very low	31.5	Very low	107 Å²	107	121.3 Å²	121.3	75%	0.748	78%	0.78	S	S	*	*				57.1	105.8	126	60.2	0	0	0	0	118.9
429	S	32.3	Very low	31.2	Very low	123 Å²	123	116.9 Å²	116.9	86%	0.86	78%	0.778	S	S	*	*				176.6	130.3	100.2	38.8	0	0	0	0	110.4
430	S	28.5	Very low	31	Very low	116 Å²	116	115.7 Å²	115.7	81%	0.811	78%	0.782	S	S	*	*			trans	-72.2	138.1	-179.9	42.4	0	0	0	0	113.3
431	S	33.6	Very low	31	Very low	108 Å²	108	119.1 Å²	119.1	76%	0.755	80%	0.795	S	S	*	*			trans	-169.9	96.7	140	50.5	0	0	0	0	111.7
432	S	28.8	Very low	31.1	Very low	105 Å²	105	115.3 Å²	115.3	73%	0.734	79%	0.79	S	S	*	*			trans	29.6	103.9	133.6	50.7	0	0	0	0	120.2
433	S	28	Very low	31.4	Very low	113 Å²	113	118 Å²	118	79%	0.79	79%	0.791	S	S	*	*				35.2	109.4	117.6	56.3	0	0	0	0	119.6
434	S	29.1	Very low	32.1	Very low	118 Å²	118	122.5 Å²	122.5	83%	0.825	79%	0.791	S	S	*	*				-165	106.3	126	50.9	0	0	0	0	109.4	S436	S434-S436 PolarHBondContact O-N 3.2Å
435	S	30.6	Very low	32.5	Very low	126 Å²	126	127.4 Å²	127.4	88%	0.881	80%	0.798	S	S	*	*			trans	-63.8	104.6	176.4	39.9	0	0	0	0	111.9
436	S	27.1	Very low	33.8	Very low	101 Å²	101	126.1 Å²	126.1	71%	0.706	79%	0.791	S	S	*	*			trans	-132.1	119.3	155.5	-73.4	0	0	0	0	106.8	S434 T438	S434-S436 PolarHBondContact O-N 3.2Å; S436-T438 VanDerWaalsContact C-N 3.31Å; S436-T438 PolarHBondContact O-N 2.92Å; S436-T438 PolarHBondContact O-OG1 2.99Å
437	S	32.1	Very low	35.1	Very low	131 Å²	131	124.4 Å²	124.4	92%	0.916	77%	0.771	S	S	*	*			trans	-59.7	85.6	179.1	43	0	0	0	0	111.4
438	T	25.7	Very low	37.3	Very low	128 Å²	128	123.4 Å²	123.4	79%	0.785	76%	0.757	S	S	*	*			trans	-116.1	124.6	160.1	25.1	0	0	0	0	107.4	S436	S436-T438 VanDerWaalsContact C-N 3.31Å; S436-T438 PolarHBondContact O-N 2.92Å; S436-T438 PolarHBondContact O-OG1 2.99Å
439	G	32.9	Very low	39.9	Very low	70 Å²	70	119.5 Å²	119.5	72%	0.722	73%	0.726	S	S	*	*			trans	-46.6	144.7	-169	0	0	0	0	0	113.9	L441	G439-L441 PolarHBondContact O-N 3.04Å
440	V	34.1	Very low	42.4	Very low	143 Å²	143	113.7 Å²	113.7	87%	0.867	69%	0.686	S	S	*	*			trans	-59.4	80	174.8	-178	0	0	0	0	109.9	G442	V440-G442 PolarHBondContact O-N 3.49Å
441	L	32.7	Very low	45.1	Very low	181 Å²	181	109.9 Å²	109.9	95%	0.948	66%	0.657	S	S	*	*			trans	-92.3	84.4	167	-135.5	96.5	0	0	0	106.3	G439	G439-L441 PolarHBondContact O-N 3.04Å
442	G	35.1	Very low	47.4	Very low	62 Å²	62	104.8 Å²	104.8	64%	0.639	62%	0.621	S	S	*	*	S	Bend	trans	-171.2	-15.6	-178.3	0	0	0	0	0	121.8	V440	V440-G442 PolarHBondContact O-N 3.49Å
443	K	38.2	Very low	49.7	Very low	185 Å²	185	101.4 Å²	101.4	80%	0.804	60%	0.595	S	S	*	*	S	Bend	trans	-132.7	13.5	-172.3	-74.9	-172.2	180	177	0	117.4
444	R	45.2	Very low	52	Low	201 Å²	201	96.6 Å²	96.6	76%	0.758	56%	0.56	S	S	*	*			trans	-81	-12	173.4	-82.1	-174.1	171.7	175.6	-5.4	114.8	T446	R444-T446 PolarHBondContact O-N 2.98Å
445	K	45.9	Very low	53.8	Low	213 Å²	213	94.2 Å²	94.2	93%	0.926	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	4.3	-171.5	-78.4	-168.7	175.5	-175	0	117.5
446	T	53.8	Low	55.4	Low	108 Å²	108	91.8 Å²	91.8	66%	0.663	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	5.1	-172.2	62.5	0	0	0	0	115.7	R444 K455	R444-T446 PolarHBondContact O-N 2.98Å; T446-K455 PolarHBondContact OG1-NZ 3.39Å
447	Q	63.8	Low	57.3	Low	67 Å²	67	92.4 Å²	92.4	31%	0.313	52%	0.517	S	S	.	.			trans	-99.7	112.3	177.3	-170.6	163.9	1.5	0	0	110
448	I	76.9	Confident	59	Low	85 Å²	85	86.9 Å²	86.9	44%	0.436	48%	0.477	S	S	.	.			trans	-67.7	135.6	174.5	-60.2	168.2	0	0	0	108.1	G450 D451	I448-G450 PolarHBondContact O-N 2.87Å; I448-D451 HydrophobicContact CB-CB 4.09Å; I448-D451 VanDerWaalsContact O-CB 3.29Å; I448-D451 WeakPolarHBondContact O-CB 3.43Å; I448-D451 PolarHBondContact O-N 3.04Å; I448-D451 VanDerWaalsContact O-N 3.09Å
449	F	83.4	Confident	61.1	Low	25 Å²	25	87 Å²	87	11%	0.11	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	128.5	-179.2	-173.1	-84.9	0	0	0	111	L305 L352 K353 E362 D451	L305-F449 HydrophobicContact CD1-CE2 4.47Å; L305-F449 HydrophobicContact CD2-CE2 3.85Å; L305-F449 HydrophobicContact CD2-CZ 3.97Å; L352-F449 HydrophobicContact CD2-CD1 4.24Å; L352-F449 HydrophobicContact CG-CD1 4.29Å; L352-F449 HydrophobicContact CG-CE1 4.36Å; K353-F449 HydrophobicContact CB-CD1 4.13Å; K353-F449 HydrophobicContact CB-CE1 4.17Å; K353-F449 HydrophobicContact CB-CG 4.39Å; K353-F449 HydrophobicContact CB-CZ 4.43Å; K353-F449 HydrophobicContact CG-CD2 4.21Å; K353-F449 HydrophobicContact CG-CE1 4.44Å; K353-F449 HydrophobicContact CG-CE2 4.13Å; K353-F449 HydrophobicContact CG-CG 4.39Å; K353-F449 HydrophobicContact CG-CZ 4.23Å; E362-F449 HydrophobicContact CB-CE2 4.36Å; E362-F449 HydrophobicContact CB-CZ 4.15Å; E362-F449 HydrophobicContact CG-CD2 4.4Å; E362-F449 HydrophobicContact CG-CE1 4.13Å; E362-F449 HydrophobicContact CG-CE2 3.92Å; E362-F449 HydrophobicContact CG-CZ 3.79Å; F449-D451 PolarHBondContact O-N 3.39Å
450	G	85.1	Confident	63	Low	1 Å²	1	84 Å²	84	1%	0.01	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	-3.9	179.6	0	0	0	0	0	116	V363 R364 I365 I448 P452	V363-G450 WeakPolarHBondContact O-CA 3.41Å; R364-G450 WeakPolarHBondContact CA-O 3.45Å; I365-G450 PolarHBondContact N-O 3.4Å; I448-G450 PolarHBondContact O-N 2.87Å; G450-P452 WeakPolarHBondContact O-CD 3.49Å
451	D	85.3	Confident	64.8	Low	37 Å²	37	85.7 Å²	85.7	20%	0.198	43%	0.429	C	S	.	.			trans	-65.6	122.7	174.9	-174.1	-2.1	0	0	0	110.4	I448 F449 V453	I448-D451 HydrophobicContact CB-CB 4.09Å; I448-D451 VanDerWaalsContact O-CB 3.29Å; I448-D451 WeakPolarHBondContact O-CB 3.43Å; I448-D451 PolarHBondContact O-N 3.04Å; I448-D451 VanDerWaalsContact O-N 3.09Å; F449-D451 PolarHBondContact O-N 3.39Å; D451-V453 VanDerWaalsContact CG-CG2 3.48Å; D451-V453 PolarHBondContact O-N 3.19Å; D451-V453 VanDerWaalsContact OD1-CG2 3.3Å; D451-V453 WeakPolarHBondContact OD1-CG2 3.34Å; D451-V453 PolarHBondContact OD1-N 3.5Å; D451-V453 WeakPolarHBondContact OD2-CG2 3.4Å
452	P	81	Confident	66.7	Low	1 Å²	1	79.5 Å²	79.5	1%	0.006	41%	0.408	C	S	.	.			trans	-72.4	18.6	-178.9	30.8	-38.2	0	0	0	114.8	M387 G450 W454	M387-P452 HydrophobicContact CE-CB 3.96Å; M387-P452 HydrophobicContact CE-CG 3.36Å; M387-P452 HydrophobicContact SD-CG 4.45Å; G450-P452 WeakPolarHBondContact O-CD 3.49Å; P452-W454 PolarHBondContact O-N 3.49Å
453	V	78.7	Confident	69	Low	33 Å²	33	78 Å²	78	20%	0.2	38%	0.383	C	S	.	.			trans	-61.3	128.4	177.1	170.9	0	0	0	0	112.2	D451 K455	D451-V453 VanDerWaalsContact CG-CG2 3.48Å; D451-V453 PolarHBondContact O-N 3.19Å; D451-V453 VanDerWaalsContact OD1-CG2 3.3Å; D451-V453 WeakPolarHBondContact OD1-CG2 3.34Å; D451-V453 PolarHBondContact OD1-N 3.5Å; D451-V453 WeakPolarHBondContact OD2-CG2 3.4Å; V453-K455 HydrophobicContact CG1-CG 4.22Å
454	W	75.7	Confident	71.3	Confident	12 Å²	12	69.7 Å²	69.7	5%	0.045	35%	0.348	C	S	.	.			trans	-100.8	111.7	173	-166.9	-98.8	0	0	0	110.2	F309 D402 P407 P452 V458 W463 C478 H481	F309-W454 HydrophobicContact CD2-CE3 4.03Å; F309-W454 HydrophobicContact CD2-CZ3 4.13Å; F309-W454 HydrophobicContact CE2-CD2 4.17Å; F309-W454 AromaticContact CE2-CE3 3.97Å; F309-W454 HydrophobicContact CE2-CE3 3.97Å; F309-W454 HydrophobicContact CE2-CZ3 4.2Å; D402-W454 HydrophobicContact CB-CB 4.06Å; D402-W454 PolarHBondContact OD2-N 3.14Å; P407-W454 HydrophobicContact CG-CZ2 4.16Å; P452-W454 PolarHBondContact O-N 3.49Å; W454-V458 HydrophobicContact CZ2-CG1 3.94Å; W454-V458 HydrophobicContact CZ2-CG2 3.8Å; W454-W463 HydrophobicContact CH2-CH2 4.25Å; W454-W463 AromaticContact CH2-CZ3 3.89Å; W454-W463 HydrophobicContact CH2-CZ3 3.89Å; W454-W463 HydrophobicContact CZ2-CZ3 4.37Å; W454-C478 HydrophobicContact CH2-CB 4.06Å; W454-C478 HydrophobicContact CZ2-CB 3.99Å; W454-H481 AromaticContact CD2-CD2 3.63Å; W454-H481 AromaticContact CD2-NE2 3.94Å; W454-H481 AromaticContact CE2-CD2 3.92Å; W454-H481 HydrophobicContact CE3-CB 4.21Å; W454-H481 AromaticContact CE3-CD2 3.75Å; W454-H481 AromaticContact CE3-CG 3.74Å; W454-H481 AromaticContact CG-NE2 3.97Å; W454-H481 HydrophobicContact CH2-CB 3.96Å; W454-H481 HydrophobicContact CZ2-CB 4.48Å; W454-H481 HydrophobicContact CZ3-CB 3.79Å; W454-H481 AromaticContact CZ3-CG 3.85Å
455	K	67	Low	73.2	Confident	68 Å²	68	61.6 Å²	61.6	30%	0.296	32%	0.321	S	S	.	.			trans	-83.2	135.5	-177.9	-69.1	-175.5	175.5	178	0	111.7	F309 T446 V453 V458	F309-K455 HydrophobicContact CE2-CB 4.48Å; F309-K455 HydrophobicContact CZ-CB 4.32Å; T446-K455 PolarHBondContact OG1-NZ 3.39Å; V453-K455 HydrophobicContact CG1-CG 4.22Å; K455-V458 WeakPolarHBondContact O-CG2 3.46Å
456	T	63.7	Low	75.3	Confident	75 Å²	75	51.9 Å²	51.9	46%	0.46	28%	0.28	S	S	.	.	S	Bend	trans	-116	148.1	175.8	50.3	0	0	0	0	111.1	K405	K405-T456 HydrophobicContact CB-CG2 4.05Å
457	P	67	Low	77	Confident	115 Å²	115	46.9 Å²	46.9	75%	0.747	25%	0.249	S	C	*	.	S	Bend	cis	-70.1	141.5	-6.8	30.1	-33.8	0	0	0	111.6	Q459	P457-Q459 PolarHBondContact O-N 3.14Å
458	V	67.5	Low	78.3	Confident	14 Å²	14	43.7 Å²	43.7	9%	0.085	23%	0.234	C	C	.	.			trans	-81.4	119.4	176.2	-170.7	0	0	0	0	108.3	P407 W454 K455 T460 W463	P407-V458 HydrophobicContact CB-CB 4.02Å; P407-V458 HydrophobicContact CB-CG2 3.75Å; P407-V458 HydrophobicContact CG-CG2 4.13Å; W454-V458 HydrophobicContact CZ2-CG1 3.94Å; W454-V458 HydrophobicContact CZ2-CG2 3.8Å; K455-V458 WeakPolarHBondContact O-CG2 3.46Å; V458-T460 HydrophobicContact CG1-CG2 3.52Å; V458-W463 HydrophobicContact CG1-CH2 3.44Å; V458-W463 VanDerWaalsContact CG1-CH2 3.44Å; V458-W463 HydrophobicContact CG1-CZ2 4.04Å; V458-W463 HydrophobicContact CG1-CZ3 3.93Å
459	Q	70.4	Confident	79.1	Confident	131 Å²	131	39.8 Å²	39.8	61%	0.612	22%	0.215	S	C	*	.			trans	-105.1	108.3	167.8	-66.6	179.8	-9.4	0	0	107.6	P457 W463	P457-Q459 PolarHBondContact O-N 3.14Å; Q459-W463 PolarHBondContact O-NE1 2.97Å
460	T	72.8	Confident	79.3	Confident	8 Å²	8	41.1 Å²	41.1	5%	0.049	22%	0.223	C	C	.	.			trans	-93.1	6.9	-173.8	57.7	0	0	0	0	113.5	C410 V458 G462 W463 C478	C410-T460 WeakPolarHBondContact O-CB 3.4Å; C410-T460 PolarHBondContact O-OG1 3.47Å; V458-T460 HydrophobicContact CG1-CG2 3.52Å; T460-G462 PolarHBondContact O-N 3.4Å; T460-W463 HydrophobicContact CG2-CD2 4.23Å; T460-W463 HydrophobicContact CG2-CE3 3.85Å; T460-W463 HydrophobicContact CG2-CH2 4.41Å; T460-W463 HydrophobicContact CG2-CZ3 3.95Å; T460-W463 WeakPolarHBondContact O-CB 3.48Å; T460-W463 PolarHBondContact O-N 3Å; T460-C478 HydrophobicContact CG2-CB 3.62Å
461	Y	70.9	Confident	79.3	Confident	178 Å²	178	42.6 Å²	42.6	70%	0.698	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	125.7	-177.6	178.9	-102	0	0	0	111.1	R312 W463	R312-Y461 PolarHBondContact NH2-O 3.23Å; Y461-W463 PolarHBondContact O-N 2.74Å
462	G	72.6	Confident	79.2	Confident	50 Å²	50	46.2 Å²	46.2	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	12.8	179.2	0	0	0	0	0	115.5	R312 T460	R312-G462 VanDerWaalsContact CZ-O 3.24Å; R312-G462 PolarHBondContact NE-O 2.78Å; R312-G462 PolarHBondContact NH2-O 3.1Å; T460-G462 PolarHBondContact O-N 3.4Å
463	W	85	Confident	79.5	Confident	30 Å²	30	47.4 Å²	47.4	11%	0.114	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.8	132.1	171	-70.1	16.3	0	0	0	109.4	F309 D310 W454 V458 Q459 T460 Y461 N476 T477 C478	F309-W463 HydrophobicContact CD1-CH2 4.18Å; F309-W463 HydrophobicContact CD1-CZ2 4.21Å; F309-W463 AromaticContact CE1-CH2 3.67Å; F309-W463 HydrophobicContact CE1-CH2 3.67Å; F309-W463 AromaticContact CE1-CZ2 3.6Å; F309-W463 HydrophobicContact CE1-CZ2 3.6Å; F309-W463 HydrophobicContact CE2-CH2 4.37Å; F309-W463 AromaticContact CZ-CH2 3.77Å; F309-W463 HydrophobicContact CZ-CH2 3.77Å; F309-W463 HydrophobicContact CZ-CZ2 4.08Å; D310-W463 HydrophobicContact CB-CD2 3.7Å; D310-W463 VanDerWaalsContact CB-CE2 3.41Å; D310-W463 HydrophobicContact CB-CE3 4.25Å; D310-W463 HydrophobicContact CB-CG 4.1Å; D310-W463 HydrophobicContact CB-CH2 4.22Å; D310-W463 HydrophobicContact CB-CZ2 3.72Å; D310-W463 HydrophobicContact CB-CZ3 4.48Å; W454-W463 HydrophobicContact CH2-CH2 4.25Å; W454-W463 AromaticContact CH2-CZ3 3.89Å; W454-W463 HydrophobicContact CH2-CZ3 3.89Å; W454-W463 HydrophobicContact CZ2-CZ3 4.37Å; V458-W463 HydrophobicContact CG1-CH2 3.44Å; V458-W463 VanDerWaalsContact CG1-CH2 3.44Å; V458-W463 HydrophobicContact CG1-CZ2 4.04Å; V458-W463 HydrophobicContact CG1-CZ3 3.93Å; Q459-W463 PolarHBondContact O-NE1 2.97Å; T460-W463 HydrophobicContact CG2-CD2 4.23Å; T460-W463 HydrophobicContact CG2-CE3 3.85Å; T460-W463 HydrophobicContact CG2-CH2 4.41Å; T460-W463 HydrophobicContact CG2-CZ3 3.95Å; T460-W463 WeakPolarHBondContact O-CB 3.48Å; T460-W463 PolarHBondContact O-N 3Å; Y461-W463 PolarHBondContact O-N 2.74Å; W463-N476 HydrophobicContact CB-CB 3.83Å; W463-N476 HydrophobicContact CE3-CB 4.47Å; W463-T477 VanDerWaalsContact CZ3-OG1 3.23Å; W463-T477 WeakPolarHBondContact CZ3-OG1 3.25Å; W463-C478 HydrophobicContact CE3-CB 4.38Å; W463-C478 HydrophobicContact CZ3-CB 4.05Å
464	P	85.7	Confident	79.9	Confident	11 Å²	11	47 Å²	47	7%	0.071	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.3	160.3	-176.5	26.3	-34.3	0	0	0	112.4	D310 G311 R312 N476	D310-P464 WeakPolarHBondContact O-CD 3.42Å; G311-P464 VanDerWaalsContact O-CG 3.26Å; G311-P464 WeakPolarHBondContact O-CG 3.4Å; R312-P464 HydrophobicContact CG-CG 4.23Å; P464-N476 VanDerWaalsContact O-CA 3.28Å; P464-N476 WeakPolarHBondContact O-CA 3.06Å
465	V	86	Confident	80.4	Confident	32 Å²	32	52.9 Å²	52.9	19%	0.194	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.7	143	159.5	-64.5	0	0	0	0	110.4	L158 P185 T473 Y474 R475	L158-V465 HydrophobicContact CD1-CG1 4.44Å; P185-V465 HydrophobicContact CB-CG1 3.89Å; P185-V465 HydrophobicContact CG-CB 4.47Å; P185-V465 HydrophobicContact CG-CG1 3.57Å; P185-V465 HydrophobicContact CG-CG2 4.14Å; V465-T473 HydrophobicContact CB-CG2 4.15Å; V465-Y474 WeakPolarHBondContact CA-O 3.27Å; V465-R475 WeakPolarHBondContact CA-O 3.37Å
466	V	88.8	Confident	81.3	Confident	9 Å²	9	50 Å²	50	6%	0.055	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.9	-176	-65.2	0	0	0	0	112	T473 Y474 T477 L480 L493	V466-T473 CarbonylContact O-C 3.56Å; V466-T473 WeakPolarHBondContact O-CA 3.32Å; V466-Y474 PolarHBondContact N-O 3.31Å; V466-Y474 PolarHBondContact O-N 3.26Å; V466-T477 HydrophobicContact CG1-CG2 3.83Å; V466-T477 HydrophobicContact CG2-CG2 4.27Å; V466-L480 HydrophobicContact CG2-CD2 4.44Å; V466-L493 HydrophobicContact CB-CD1 3.49Å; V466-L493 VanDerWaalsContact CB-CD1 3.49Å; V466-L493 HydrophobicContact CG1-CD1 3.89Å; V466-L493 HydrophobicContact CG2-CD1 4.04Å
467	C	89.5	Confident	82.5	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.3	178.7	177.4	0	0	0	0	111.2	K494 C499	C467-K494 PolarHBondContact O-N 2.72Å; C467-C499 WeakPolarHBondContact CA-SG 3.43Å; C467-C499 HydrophobicContact CB-CB 3.69Å; C467-C499 WeakPolarHBondContact CB-SG 3.22Å; C467-C499 VanDerWaalsContact SG-CA 3.57Å; C467-C499 WeakPolarHBondContact SG-CB 3.33Å; C467-C499 PolarHBondContact SG-N 3.35Å; C467-C499 CovalentContact SG-SG 2.02Å; C467-C499 PolarHBondContact SG-SG 2.98Å
468	G	92.5	Very high	83.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	155.3	170.9	0	0	0	0	0	112.7	N470 G471 K472 G492	G468-N470 PolarHBondContact O-N 2.88Å; G468-N470 VanDerWaalsContact O-N 3.07Å; G468-G471 PolarHBondContact O-N 3.22Å; G468-K472 PolarHBondContact N-O 3.05Å; G468-G492 CarbonylContact C-O 3.54Å; G468-G492 WeakPolarHBondContact CA-O 3.49Å
469	S	92.3	Very high	84.7	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.028	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.2	174.8	58.9	0	0	0	0	113.9	H393 G471 G492	H393-S469 PolarHBondContact CD2-OG 3.09Å; H393-S469 VanDerWaalsContact CD2-OG 3.22Å; H393-S469 VanDerWaalsContact CE1-C 3.47Å; H393-S469 PolarHBondContact CE1-O 3.02Å; H393-S469 VanDerWaalsContact CE1-O 3.25Å; H393-S469 WeakPolarHBondContact NE2-CB 3.39Å; H393-S469 PolarHBondContact NE2-O 3.28Å; H393-S469 PolarHBondContact NE2-OG 3.01Å; S469-G471 VanDerWaalsContact C-N 3.26Å; S469-G492 PolarHBondContact N-O 2.85Å; S469-G492 PolarHBondContact OG-N 2.9Å; S469-G492 PolarHBondContact OG-O 3.26Å
470	N	87.3	Confident	85.7	Confident	52 Å²	52	37.6 Å²	37.6	28%	0.278	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	7.4	170.9	66.9	-7.5	0	0	0	113.5	H393 G468 K472 Y474 V491	H393-N470 WeakPolarHBondContact CE1-CA 3.4Å; H393-N470 PolarHBondContact CE1-N 2.82Å; H393-N470 PolarHBondContact NE2-N 3.38Å; G468-N470 PolarHBondContact O-N 2.88Å; G468-N470 VanDerWaalsContact O-N 3.07Å; N470-K472 PolarHBondContact O-N 2.75Å; N470-K472 WeakPolarHBondContact OD1-CB 3.28Å; N470-K472 PolarHBondContact OD1-N 2.87Å; N470-Y474 PolarHBondContact ND2-OH 3.46Å; N470-V491 HydrophobicContact CB-CG1 4.09Å; N470-V491 HydrophobicContact CB-CG2 4.21Å
471	G	85.7	Confident	86.6	Confident	32 Å²	32	37.6 Å²	37.6	33%	0.33	19%	0.189	S	C	.	.	S	Bend	trans	71.8	13.8	-179	0	0	0	0	0	113.8	G468 S469 C499	G468-G471 PolarHBondContact O-N 3.22Å; S469-G471 VanDerWaalsContact C-N 3.26Å; G471-C499 VanDerWaalsContact C-SG 3.54Å
472	K	84.1	Confident	87.5	Confident	114 Å²	114	30.6 Å²	30.6	50%	0.496	17%	0.165	S	C	.	.			trans	-100	138.8	175.4	-63.4	-172.9	177.5	-177.5	0	110.8	G468 N470 Y474 C499	G468-K472 PolarHBondContact N-O 3.05Å; N470-K472 PolarHBondContact O-N 2.75Å; N470-K472 WeakPolarHBondContact OD1-CB 3.28Å; N470-K472 PolarHBondContact OD1-N 2.87Å; K472-Y474 HydrophobicContact CB-CE2 3.99Å; K472-Y474 VanDerWaalsContact O-CD2 3.26Å; K472-Y474 WeakPolarHBondContact O-CD2 3.28Å; K472-Y474 WeakPolarHBondContact O-CE2 3.4Å; K472-C499 VanDerWaalsContact C-SG 3.54Å; K472-C499 PolarHBondContact O-SG 3.14Å; K472-C499 VanDerWaalsContact O-SG 3.39Å
473	T	86	Confident	88.5	Confident	26 Å²	26	30.9 Å²	30.9	16%	0.16	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.3	169.1	-49.4	0	0	0	0	109.8	L158 V465 V466	L158-T473 HydrophobicContact CB-CG2 3.8Å; L158-T473 WeakPolarHBondContact O-CB 3.45Å; L158-T473 WeakPolarHBondContact O-CG2 3.16Å; L158-T473 PolarHBondContact O-OG1 3.14Å; V465-T473 HydrophobicContact CB-CG2 4.15Å; V466-T473 CarbonylContact O-C 3.56Å; V466-T473 WeakPolarHBondContact O-CA 3.32Å
474	Y	87.4	Confident	88.9	Confident	25 Å²	25	29.7 Å²	29.7	10%	0.098	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145	173.6	-64.7	-99.8	0	0	0	108.8	V465 V466 N470 K472 N476 L480 V483 V491	V465-Y474 WeakPolarHBondContact CA-O 3.27Å; V466-Y474 PolarHBondContact N-O 3.31Å; V466-Y474 PolarHBondContact O-N 3.26Å; N470-Y474 PolarHBondContact ND2-OH 3.46Å; K472-Y474 HydrophobicContact CB-CE2 3.99Å; K472-Y474 VanDerWaalsContact O-CD2 3.26Å; K472-Y474 WeakPolarHBondContact O-CD2 3.28Å; K472-Y474 WeakPolarHBondContact O-CE2 3.4Å; Y474-N476 PolarHBondContact O-N 2.82Å; Y474-L480 HydrophobicContact CD1-CB 4.15Å; Y474-L480 HydrophobicContact CD1-CD1 4.22Å; Y474-L480 HydrophobicContact CD2-CB 4.46Å; Y474-L480 HydrophobicContact CD2-CD1 3.9Å; Y474-L480 HydrophobicContact CE1-CD1 3.99Å; Y474-L480 HydrophobicContact CE2-CD1 3.7Å; Y474-L480 HydrophobicContact CG-CB 4.03Å; Y474-L480 HydrophobicContact CG-CD1 4.17Å; Y474-V483 HydrophobicContact CE1-CB 4.04Å; Y474-V483 HydrophobicContact CE1-CG1 4.07Å; Y474-V483 HydrophobicContact CE1-CG2 3.99Å; Y474-V491 HydrophobicContact CE2-CG1 4.36Å
475	R	86.1	Confident	89.2	Confident	135 Å²	135	29.7 Å²	29.7	51%	0.509	15%	0.152	S	C	.	.	S	Bend	trans	-57.3	-34.4	-177.3	178.1	175.2	-76.5	-99.6	0.8	112.9	L158 N411 V465 F479	L158-R475 VanDerWaalsContact CD1-CA 3.49Å; L158-R475 HydrophobicContact CD1-CB 3.72Å; L158-R475 HydrophobicContact CD1-CG 4.47Å; N411-R475 WeakPolarHBondContact OD1-CD 2.96Å; V465-R475 WeakPolarHBondContact CA-O 3.37Å; R475-F479 HydrophobicContact CB-CD2 3.65Å; R475-F479 HydrophobicContact CB-CE2 3.97Å; R475-F479 HydrophobicContact CB-CG 4.34Å; R475-F479 HydrophobicContact CG-CD2 4.11Å; R475-F479 HydrophobicContact CG-CE2 4Å
476	N	86.5	Confident	89.5	Confident	6 Å²	6	34.3 Å²	34.3	3%	0.032	18%	0.175	C	C	.	.	S	Bend	trans	-165.7	178.5	169.4	56.8	39.3	0	0	0	109.7	C410 W463 P464 Y474 C478 F479 L480	C410-N476 PolarHBondContact O-ND2 2.03Å; C410-N476 VanDerWaalsContact O-ND2 3.14Å; W463-N476 HydrophobicContact CB-CB 3.83Å; W463-N476 HydrophobicContact CE3-CB 4.47Å; P464-N476 VanDerWaalsContact O-CA 3.28Å; P464-N476 WeakPolarHBondContact O-CA 3.06Å; Y474-N476 PolarHBondContact O-N 2.82Å; N476-C478 PolarHBondContact O-N 3.32Å; N476-C478 WeakPolarHBondContact OD1-CA 3.16Å; N476-C478 WeakPolarHBondContact OD1-CB 3.06Å; N476-C478 PolarHBondContact OD1-N 3.05Å; N476-F479 PolarHBondContact O-N 3.28Å; N476-F479 VanDerWaalsContact OD1-CD2 3.25Å; N476-F479 WeakPolarHBondContact OD1-CD2 3.4Å; N476-F479 PolarHBondContact OD1-N 3.02Å; N476-F479 VanDerWaalsContact OD1-N 3.1Å; N476-L480 PolarHBondContact O-N 3.38Å
477	T	89.6	Confident	89.7	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-25.7	177.9	50.7	0	0	0	0	114	F309 D310 G311 W463 V466 L480 H481 L493	F309-T477 VanDerWaalsContact O-CB 3.25Å; F309-T477 WeakPolarHBondContact O-CB 3.43Å; F309-T477 PolarHBondContact O-OG1 3.01Å; D310-T477 WeakPolarHBondContact CA-OG1 2.99Å; G311-T477 VanDerWaalsContact N-CG2 3.3Å; W463-T477 VanDerWaalsContact CZ3-OG1 3.23Å; W463-T477 WeakPolarHBondContact CZ3-OG1 3.25Å; V466-T477 HydrophobicContact CG1-CG2 3.83Å; V466-T477 HydrophobicContact CG2-CG2 4.27Å; T477-L480 PolarHBondContact O-N 2.8Å; T477-H481 WeakPolarHBondContact O-CB 3.44Å; T477-H481 PolarHBondContact O-N 2.03Å; T477-L493 HydrophobicContact CG2-CD2 4.5Å
478	C	89.2	Confident	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-48.5	174	-176.6	0	0	0	0	111.1	P407 C410 W454 T460 W463 N476 L480 H481 V482	P407-C478 WeakPolarHBondContact CG-SG 3.01Å; C410-C478 WeakPolarHBondContact CA-SG 2.99Å; C410-C478 HydrophobicContact CB-CB 3.73Å; C410-C478 WeakPolarHBondContact CB-SG 3.35Å; C410-C478 WeakPolarHBondContact SG-CB 2.98Å; C410-C478 CovalentContact SG-SG 2.05Å; C410-C478 PolarHBondContact SG-SG 3.06Å; W454-C478 HydrophobicContact CH2-CB 4.06Å; W454-C478 HydrophobicContact CZ2-CB 3.99Å; T460-C478 HydrophobicContact CG2-CB 3.62Å; W463-C478 HydrophobicContact CE3-CB 4.38Å; W463-C478 HydrophobicContact CZ3-CB 4.05Å; N476-C478 PolarHBondContact O-N 3.32Å; N476-C478 WeakPolarHBondContact OD1-CA 3.16Å; N476-C478 WeakPolarHBondContact OD1-CB 3.06Å; N476-C478 PolarHBondContact OD1-N 3.05Å; C478-L480 VanDerWaalsContact C-N 3.33Å; C478-L480 PolarHBondContact O-N 3.22Å; C478-H481 PolarHBondContact O-N 2.77Å; C478-V482 WeakPolarHBondContact O-CG2 3.46Å; C478-V482 PolarHBondContact O-N 2.77Å
479	F	90.6	Very high	90	Very high	63 Å²	63	47.5 Å²	47.5	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-39.5	175.4	-76.1	-78.8	0	0	0	112.5	C410 N411 R475 N476 V482 V483	C410-F479 HydrophobicContact CB-CD1 4.18Å; C410-F479 HydrophobicContact CB-CD2 3.66Å; C410-F479 HydrophobicContact CB-CE1 3.92Å; C410-F479 HydrophobicContact CB-CE2 3.35Å; C410-F479 HydrophobicContact CB-CG 4.06Å; C410-F479 HydrophobicContact CB-CZ 3.5Å; C410-F479 VanDerWaalsContact CB-CZ 3.5Å; N411-F479 VanDerWaalsContact OD1-CE2 3.32Å; N411-F479 WeakPolarHBondContact OD1-CE2 3.39Å; N411-F479 WeakPolarHBondContact OD1-CZ 3.42Å; R475-F479 HydrophobicContact CB-CD2 3.65Å; R475-F479 HydrophobicContact CB-CE2 3.97Å; R475-F479 HydrophobicContact CB-CG 4.34Å; R475-F479 HydrophobicContact CG-CD2 4.11Å; R475-F479 HydrophobicContact CG-CE2 4Å; N476-F479 PolarHBondContact O-N 3.28Å; N476-F479 VanDerWaalsContact OD1-CD2 3.25Å; N476-F479 WeakPolarHBondContact OD1-CD2 3.4Å; N476-F479 PolarHBondContact OD1-N 3.02Å; N476-F479 VanDerWaalsContact OD1-N 3.1Å; F479-V482 PolarHBondContact O-N 3.31Å; F479-V483 WeakPolarHBondContact O-CB 3.04Å; F479-V483 WeakPolarHBondContact O-CG2 3.43Å; F479-V483 PolarHBondContact O-N 3Å
480	L	91.7	Very high	90.1	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-45.2	175.1	177.3	58.5	0	0	0	111.3	V466 Y474 N476 T477 C478 V483 N484 V491 L493	V466-L480 HydrophobicContact CG2-CD2 4.44Å; Y474-L480 HydrophobicContact CD1-CB 4.15Å; Y474-L480 HydrophobicContact CD1-CD1 4.22Å; Y474-L480 HydrophobicContact CD2-CB 4.46Å; Y474-L480 HydrophobicContact CD2-CD1 3.9Å; Y474-L480 HydrophobicContact CE1-CD1 3.99Å; Y474-L480 HydrophobicContact CE2-CD1 3.7Å; Y474-L480 HydrophobicContact CG-CB 4.03Å; Y474-L480 HydrophobicContact CG-CD1 4.17Å; N476-L480 PolarHBondContact O-N 3.38Å; T477-L480 PolarHBondContact O-N 2.8Å; C478-L480 VanDerWaalsContact C-N 3.33Å; C478-L480 PolarHBondContact O-N 3.22Å; L480-V483 PolarHBondContact O-N 3.43Å; L480-N484 PolarHBondContact O-N 3.17Å; L480-N484 PolarHBondContact O-ND2 2.9Å; L480-V491 HydrophobicContact CD1-CB 4.02Å; L480-V491 HydrophobicContact CD1-CG1 3.94Å; L480-L493 HydrophobicContact CD2-CB 4.22Å; L480-L493 HydrophobicContact CD2-CD1 4.28Å
481	H	91.3	Very high	90.5	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-45.5	178.5	-172.8	66.9	0	0	0	112.4	D402 W454 T477 C478 V483 N484 C485	D402-H481 PolarHBondContact O-CE1 3.47Å; D402-H481 PolarHBondContact O-NE2 3.08Å; W454-H481 AromaticContact CD2-CD2 3.63Å; W454-H481 AromaticContact CD2-NE2 3.94Å; W454-H481 AromaticContact CE2-CD2 3.92Å; W454-H481 HydrophobicContact CE3-CB 4.21Å; W454-H481 AromaticContact CE3-CD2 3.75Å; W454-H481 AromaticContact CE3-CG 3.74Å; W454-H481 AromaticContact CG-NE2 3.97Å; W454-H481 HydrophobicContact CH2-CB 3.96Å; W454-H481 HydrophobicContact CZ2-CB 4.48Å; W454-H481 HydrophobicContact CZ3-CB 3.79Å; W454-H481 AromaticContact CZ3-CG 3.85Å; T477-H481 WeakPolarHBondContact O-CB 3.44Å; T477-H481 PolarHBondContact O-N 2.03Å; C478-H481 PolarHBondContact O-N 2.77Å; H481-V483 VanDerWaalsContact C-N 3.34Å; H481-V483 PolarHBondContact O-N 2.69Å; H481-N484 PolarHBondContact O-N 3Å; H481-C485 PolarHBondContact O-N 2.89Å
482	V	90.5	Very high	90.9	Very high	30 Å²	30	44.7 Å²	44.7	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-47.7	174.4	170.4	0	0	0	0	110.7	L406 P407 C478 F479 N484 C485 L486	L406-V482 HydrophobicContact CD2-CG2 4.08Å; P407-V482 HydrophobicContact CG-CG2 4.19Å; C478-V482 WeakPolarHBondContact O-CG2 3.46Å; C478-V482 PolarHBondContact O-N 2.77Å; F479-V482 PolarHBondContact O-N 3.31Å; V482-N484 VanDerWaalsContact C-N 3.32Å; V482-N484 PolarHBondContact O-N 3.41Å; V482-C485 PolarHBondContact O-N 3.36Å; V482-L486 HydrophobicContact CG1-CD1 3.76Å; V482-L486 HydrophobicContact CG1-CG 4.36Å; V482-L486 WeakPolarHBondContact O-CG 3.41Å; V482-L486 PolarHBondContact O-N 3.27Å
483	V	91.7	Very high	91.3	Very high	56 Å²	56	39.8 Å²	39.8	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-42.9	177.6	166.5	0	0	0	0	111.2	Y474 F479 L480 H481 C485 L486 S487	Y474-V483 HydrophobicContact CE1-CB 4.04Å; Y474-V483 HydrophobicContact CE1-CG1 4.07Å; Y474-V483 HydrophobicContact CE1-CG2 3.99Å; F479-V483 WeakPolarHBondContact O-CB 3.04Å; F479-V483 WeakPolarHBondContact O-CG2 3.43Å; F479-V483 PolarHBondContact O-N 3Å; L480-V483 PolarHBondContact O-N 3.43Å; H481-V483 VanDerWaalsContact C-N 3.34Å; H481-V483 PolarHBondContact O-N 2.69Å; V483-C485 VanDerWaalsContact C-N 3.34Å; V483-C485 PolarHBondContact O-N 3.48Å; V483-L486 PolarHBondContact O-N 3.37Å; V483-S487 WeakPolarHBondContact O-CB 3.47Å; V483-S487 PolarHBondContact O-N 2.91Å
484	N	94.5	Very high	91.6	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.032	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-41.2	176.9	-73.7	-25.4	0	0	0	112.1	R388 M401 L480 H481 V482 L486 F490 V491	R388-N484 PolarHBondContact NH1-O 3.04Å; M401-N484 HydrophobicContact CE-CB 4.12Å; M401-N484 WeakPolarHBondContact CE-O 3.49Å; M401-N484 HydrophobicContact SD-CB 3.48Å; M401-N484 WeakPolarHBondContact SD-CB 3.4Å; L480-N484 PolarHBondContact O-N 3.17Å; L480-N484 PolarHBondContact O-ND2 2.9Å; H481-N484 PolarHBondContact O-N 3Å; V482-N484 VanDerWaalsContact C-N 3.32Å; V482-N484 PolarHBondContact O-N 3.41Å; N484-L486 VanDerWaalsContact C-N 3.34Å; N484-L486 PolarHBondContact O-N 2.96Å; N484-F490 HydrophobicContact CB-CD2 4.16Å; N484-V491 PolarHBondContact ND2-O 3.39Å; N484-V491 WeakPolarHBondContact OD1-CB 3.37Å; N484-V491 PolarHBondContact OD1-N 3.44Å; N484-V491 PolarHBondContact OD1-O 3.05Å
485	C	92.8	Very high	91.6	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-29.2	177.9	-74.8	0	0	0	0	114.4	R388 C403 L406 H481 V482 V483	R388-C485 PolarHBondContact NH1-O 3.01Å; C403-C485 WeakPolarHBondContact CA-SG 3.24Å; C403-C485 HydrophobicContact CB-CB 3.74Å; C403-C485 WeakPolarHBondContact CB-SG 3.29Å; C403-C485 WeakPolarHBondContact SG-CA 3.39Å; C403-C485 WeakPolarHBondContact SG-CB 3.39Å; C403-C485 CovalentContact SG-SG 2.04Å; C403-C485 PolarHBondContact SG-SG 2.8Å; L406-C485 HydrophobicContact CD1-CB 3.92Å; L406-C485 HydrophobicContact CD2-CB 3.74Å; L406-C485 HydrophobicContact CG-CB 4.24Å; H481-C485 PolarHBondContact O-N 2.89Å; V482-C485 PolarHBondContact O-N 3.36Å; V483-C485 VanDerWaalsContact C-N 3.34Å; V483-C485 PolarHBondContact O-N 3.48Å
486	L	91.9	Very high	91.3	Very high	129 Å²	129	38.6 Å²	38.6	68%	0.675	20%	0.202	S	C	*	.	H	α-helix	trans	-92.1	-17.9	178.9	-62.5	178.5	0	0	0	113.5	L406 V482 V483 N484	L406-L486 HydrophobicContact CD1-CD2 4.3Å; V482-L486 HydrophobicContact CG1-CD1 3.76Å; V482-L486 HydrophobicContact CG1-CG 4.36Å; V482-L486 WeakPolarHBondContact O-CG 3.41Å; V482-L486 PolarHBondContact O-N 3.27Å; V483-L486 PolarHBondContact O-N 3.37Å; N484-L486 VanDerWaalsContact C-N 3.34Å; N484-L486 PolarHBondContact O-N 2.96Å
487	S	92.2	Very high	90.9	Very high	39 Å²	39	44.1 Å²	44.1	27%	0.273	23%	0.227	S	C	.	.	S	Bend	trans	-91	151	-179.3	171.6	0	0	0	0	111.6	R388 V483 K489	R388-S487 VanDerWaalsContact CZ-O 3.27Å; R388-S487 PolarHBondContact NH1-O 3.15Å; R388-S487 PolarHBondContact NH2-O 3.37Å; V483-S487 WeakPolarHBondContact O-CB 3.47Å; V483-S487 PolarHBondContact O-N 2.91Å; S487-K489 WeakPolarHBondContact CB-O 3.19Å; S487-K489 PolarHBondContact O-N 3.1Å; S487-K489 PolarHBondContact OG-N 3.39Å; S487-K489 PolarHBondContact OG-O 3.2Å
488	D	93.2	Very high	90.5	Very high	128 Å²	128	49.1 Å²	49.1	68%	0.684	25%	0.249	S	C	*	.	S	Bend	trans	-77.6	-6.2	170.3	-62.5	-32.1	0	0	0	113.2	R388 P391	R388-D488 IonicContact NH2-OD1 3.37Å; P391-D488 WeakPolarHBondContact CD-O 3.19Å
489	K	94.9	Very high	90	Very high	121 Å²	121	49.9 Å²	49.9	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	-126.4	138.8	178.5	-62.3	-174.8	178.9	-173.5	0	111	P391 H393 S487	P391-K489 WeakPolarHBondContact O-CA 3.38Å; H393-K489 HydrophobicContact CB-CB 3.94Å; H393-K489 HydrophobicContact CB-CD 4.16Å; S487-K489 WeakPolarHBondContact CB-O 3.19Å; S487-K489 PolarHBondContact O-N 3.1Å; S487-K489 PolarHBondContact OG-N 3.39Å; S487-K489 PolarHBondContact OG-O 3.2Å
490	F	95.6	Very high	89.2	Confident	11 Å²	11	47.9 Å²	47.9	5%	0.048	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-85.8	136.6	175.6	178.1	-86	0	0	0	111.7	P391 H392 H393 I399 M401 N484 G492	P391-F490 PolarHBondContact O-N 3.09Å; H392-F490 AromaticContact CD2-CD1 3.72Å; H393-F490 PolarHBondContact CD2-O 3.46Å; H393-F490 VanDerWaalsContact CD2-O 3.27Å; H393-F490 PolarHBondContact N-O 3.09Å; I399-F490 HydrophobicContact CB-CB 4.36Å; I399-F490 HydrophobicContact CB-CD1 4.32Å; I399-F490 HydrophobicContact CB-CD2 4.26Å; I399-F490 HydrophobicContact CB-CG 4.06Å; I399-F490 HydrophobicContact CD1-CB 4.32Å; I399-F490 HydrophobicContact CD1-CD1 3.23Å; I399-F490 HydrophobicContact CD1-CE1 3.53Å; I399-F490 HydrophobicContact CD1-CG 3.83Å; I399-F490 HydrophobicContact CD1-CZ 4.36Å; I399-F490 HydrophobicContact CG1-CD1 4.34Å; I399-F490 HydrophobicContact CG2-CD1 4.14Å; I399-F490 HydrophobicContact CG2-CD2 3.66Å; I399-F490 HydrophobicContact CG2-CE1 4.11Å; I399-F490 HydrophobicContact CG2-CE2 3.67Å; I399-F490 HydrophobicContact CG2-CG 3.9Å; I399-F490 HydrophobicContact CG2-CZ 3.89Å; M401-F490 HydrophobicContact CE-CD2 4.38Å; M401-F490 HydrophobicContact SD-CD2 3.83Å; M401-F490 HydrophobicContact SD-CE2 4.29Å; N484-F490 HydrophobicContact CB-CD2 4.16Å; F490-G492 VanDerWaalsContact CE1-CA 3.44Å
491	V	95.3	Very high	87.9	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.048	26%	0.261	C	S	.	.			trans	-115.3	117.1	173.1	-179.4	0	0	0	0	108.6	N470 Y474 L480 N484	N470-V491 HydrophobicContact CB-CG1 4.09Å; N470-V491 HydrophobicContact CB-CG2 4.21Å; Y474-V491 HydrophobicContact CE2-CG1 4.36Å; L480-V491 HydrophobicContact CD1-CB 4.02Å; L480-V491 HydrophobicContact CD1-CG1 3.94Å; N484-V491 PolarHBondContact ND2-O 3.39Å; N484-V491 WeakPolarHBondContact OD1-CB 3.37Å; N484-V491 PolarHBondContact OD1-N 3.44Å; N484-V491 PolarHBondContact OD1-O 3.05Å
492	G	93.6	Very high	86	Confident	11 Å²	11	54.8 Å²	54.8	11%	0.113	29%	0.287	C	S	.	.			trans	-78.8	152.3	178.7	0	0	0	0	0	112.6	G468 S469 F490	G468-G492 CarbonylContact C-O 3.54Å; G468-G492 WeakPolarHBondContact CA-O 3.49Å; S469-G492 PolarHBondContact N-O 2.85Å; S469-G492 PolarHBondContact OG-N 2.9Å; S469-G492 PolarHBondContact OG-O 3.26Å; F490-G492 VanDerWaalsContact CE1-CA 3.44Å
493	L	92.7	Very high	83.6	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.058	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.3	169.4	-178.9	64.8	0	0	0	109.8	Q308 L361 V466 T477 L480	Q308-L493 HydrophobicContact CB-CD2 4.34Å; Q308-L493 HydrophobicContact CG-CD2 4.24Å; L361-L493 HydrophobicContact CD1-CD2 3.76Å; L361-L493 HydrophobicContact CD1-CG 4.03Å; L361-L493 WeakPolarHBondContact CD2-O 3.45Å; V466-L493 HydrophobicContact CB-CD1 3.49Å; V466-L493 VanDerWaalsContact CB-CD1 3.49Å; V466-L493 HydrophobicContact CG1-CD1 3.89Å; V466-L493 HydrophobicContact CG2-CD1 4.04Å; T477-L493 HydrophobicContact CG2-CD2 4.5Å; L480-L493 HydrophobicContact CD2-CB 4.22Å; L480-L493 HydrophobicContact CD2-CD1 4.28Å
494	K	91.6	Very high	81	Confident	66 Å²	66	62 Å²	62	29%	0.287	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	162	171.7	-69.8	-61.4	-176.1	-169.1	0	110.3	C467 F498	C467-K494 PolarHBondContact O-N 2.72Å; K494-F498 HydrophobicContact CB-CB 3.81Å; K494-F498 HydrophobicContact CB-CD1 3.98Å; K494-F498 HydrophobicContact CB-CG 3.91Å; K494-F498 HydrophobicContact CG-CD1 4Å; K494-F498 HydrophobicContact CG-CE1 4.34Å; K494-F498 HydrophobicContact CG-CG 4.1Å
495	K	87.6	Confident	78.3	Confident	59 Å²	59	67 Å²	67	26%	0.257	36%	0.361	S	S	.	.			trans	-58	148.4	174	-64.5	-173.5	-175.1	-175.5	0	110.2	N359 E497 F498	N359-K495 WeakPolarHBondContact O-CE 3.4Å; N359-K495 PolarHBondContact O-NZ 2.92Å; K495-E497 PolarHBondContact O-N 2.88Å; K495-F498 VanDerWaalsContact O-CB 3.31Å; K495-F498 WeakPolarHBondContact O-CB 3.32Å; K495-F498 PolarHBondContact O-N 2.81Å
496	P	80.6	Confident	75.6	Confident	36 Å²	36	73 Å²	73	23%	0.234	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.8	-178.8	-26.7	34.5	0	0	0	114.5	F498 C499 S500	P496-F498 PolarHBondContact O-N 3.45Å; P496-C499 PolarHBondContact O-N 2.98Å; P496-S500 PolarHBondContact O-N 3.37Å; P496-S500 PolarHBondContact O-OG 3.36Å
497	E	77.5	Confident	73	Confident	121 Å²	121	73.1 Å²	73.1	57%	0.565	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-59.3	-30.9	175.4	-67.8	161.7	-141	0	0	112.8	K495 C499 S500	K495-E497 PolarHBondContact O-N 2.88Å; E497-C499 VanDerWaalsContact C-N 3.27Å; E497-C499 PolarHBondContact O-N 3.48Å; E497-S500 PolarHBondContact O-N 3.4Å
498	F	82.6	Confident	70.4	Confident	109 Å²	109	78.1 Å²	78.1	48%	0.478	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-67.4	-25.4	-177.3	-171.9	-92.9	0	0	0	113.5	K494 K495 P496	K494-F498 HydrophobicContact CB-CB 3.81Å; K494-F498 HydrophobicContact CB-CD1 3.98Å; K494-F498 HydrophobicContact CB-CG 3.91Å; K494-F498 HydrophobicContact CG-CD1 4Å; K494-F498 HydrophobicContact CG-CE1 4.34Å; K494-F498 HydrophobicContact CG-CG 4.1Å; K495-F498 VanDerWaalsContact O-CB 3.31Å; K495-F498 WeakPolarHBondContact O-CB 3.32Å; K495-F498 PolarHBondContact O-N 2.81Å; P496-F498 PolarHBondContact O-N 3.45Å
499	C	78.6	Confident	67.9	Low	16 Å²	16	74.3 Å²	74.3	11%	0.108	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-100.9	-8.2	177.3	-72	0	0	0	0	112.8	C467 G471 K472 P496 E497 E501	C467-C499 WeakPolarHBondContact CA-SG 3.43Å; C467-C499 HydrophobicContact CB-CB 3.69Å; C467-C499 WeakPolarHBondContact CB-SG 3.22Å; C467-C499 VanDerWaalsContact SG-CA 3.57Å; C467-C499 WeakPolarHBondContact SG-CB 3.33Å; C467-C499 PolarHBondContact SG-N 3.35Å; C467-C499 CovalentContact SG-SG 2.02Å; C467-C499 PolarHBondContact SG-SG 2.98Å; G471-C499 VanDerWaalsContact C-SG 3.54Å; K472-C499 VanDerWaalsContact C-SG 3.54Å; K472-C499 PolarHBondContact O-SG 3.14Å; K472-C499 VanDerWaalsContact O-SG 3.39Å; P496-C499 PolarHBondContact O-N 2.98Å; E497-C499 VanDerWaalsContact C-N 3.27Å; E497-C499 PolarHBondContact O-N 3.48Å; C499-E501 PolarHBondContact O-N 3.22Å
500	S	73.6	Confident	65	Low	22 Å²	22	76.1 Å²	76.1	15%	0.154	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-68.2	133.6	167.9	-62.4	0	0	0	0	106.5	P496 E497 T502	P496-S500 PolarHBondContact O-N 3.37Å; P496-S500 PolarHBondContact O-OG 3.36Å; E497-S500 PolarHBondContact O-N 3.4Å; S500-T502 PolarHBondContact O-N 3.18Å; S500-T502 PolarHBondContact O-OG1 2.8Å
501	E	63.4	Low	62.1	Low	66 Å²	66	85.6 Å²	85.6	31%	0.308	43%	0.425	S	S	.	.			trans	-69.2	59	173.6	-68.7	-164.9	165.8	0	0	110.8	F161 C499 I503	F161-E501 HydrophobicContact CD1-CG 4.4Å; F161-E501 VanDerWaalsContact CD1-OE2 3.3Å; F161-E501 WeakPolarHBondContact CD1-OE2 3.13Å; F161-E501 HydrophobicContact CE1-CG 4.39Å; F161-E501 VanDerWaalsContact CE1-OE1 3.3Å; F161-E501 WeakPolarHBondContact CE1-OE1 3.31Å; F161-E501 WeakPolarHBondContact CE1-OE2 3.4Å; C499-E501 PolarHBondContact O-N 3.22Å; E501-I503 VanDerWaalsContact C-N 3.26Å; E501-I503 PolarHBondContact O-N 2.8Å
502	T	51.1	Low	59.5	Low	95 Å²	95	95.4 Å²	95.4	58%	0.583	46%	0.461	S	S	*	.			trans	-93.3	60.5	165	53.1	0	0	0	0	107.3	S500 P504	S500-T502 PolarHBondContact O-N 3.18Å; S500-T502 PolarHBondContact O-OG1 2.8Å; T502-P504 WeakPolarHBondContact O-CD 3.43Å
503	I	40.1	Very low	56.9	Low	152 Å²	152	100.9 Å²	100.9	78%	0.779	48%	0.484	S	S	*	.			trans	-87.1	104.7	155.9	-56.2	174.8	0	0	0	103.9	E501 S505	E501-I503 VanDerWaalsContact C-N 3.26Å; E501-I503 PolarHBondContact O-N 2.8Å; I503-S505 VanDerWaalsContact C-N 3.29Å; I503-S505 PolarHBondContact O-N 3.41Å
504	P	37.9	Very low	54.5	Low	85 Å²	85	106.1 Å²	106.1	55%	0.552	51%	0.506	S	S	*	.			trans	-64.7	101.2	169.6	27.5	-30.8	0	0	0	106.8	T502 K506 H507	T502-P504 WeakPolarHBondContact O-CD 3.43Å; P504-K506 PolarHBondContact O-N 2.64Å; P504-H507 HydrophobicContact CB-CB 4.04Å; P504-H507 HydrophobicContact CG-CB 4.21Å
505	S	38.7	Very low	52.1	Low	113 Å²	113	105 Å²	105	79%	0.79	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	112.9	155.2	58.3	0	0	0	0	106	I503	I503-S505 VanDerWaalsContact C-N 3.29Å; I503-S505 PolarHBondContact O-N 3.41Å
506	K	36	Very low	50.1	Low	134 Å²	134	110.8 Å²	110.8	58%	0.583	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	14.4	170.3	-65.9	-171.1	160.4	-162.3	0	120.8	P504 D508 D509 W510	P504-K506 PolarHBondContact O-N 2.64Å; K506-D508 PolarHBondContact O-N 3.17Å; K506-D509 HydrophobicContact CB-CB 3.81Å; K506-D509 HydrophobicContact CD-CB 4.25Å; K506-D509 WeakPolarHBondContact CE-OD2 3.31Å; K506-D509 HydrophobicContact CG-CB 3.75Å; K506-D509 IonicContact NZ-OD2 2.71Å; K506-D509 PolarHBondContact O-N 3.32Å; K506-D509 VanDerWaalsContact O-N 3.15Å; K506-W510 PolarHBondContact O-N 3.07Å; K506-W510 VanDerWaalsContact O-N 3.1Å
507	H	35.8	Very low	48.4	Very low	132 Å²	132	116 Å²	116	61%	0.611	56%	0.555	S	S	*	*	H	α-helix	trans	-71	-22.8	165.1	-124.6	-60.4	0	0	0	113.4	P504	P504-H507 HydrophobicContact CB-CB 4.04Å; P504-H507 HydrophobicContact CG-CB 4.21Å
508	D	38.8	Very low	46.8	Very low	144 Å²	144	114 Å²	114	77%	0.77	56%	0.555	S	S	*	*	H	α-helix	trans	-80.6	-13.4	168.1	-73.7	-31.2	0	0	0	113.8	K506	K506-D508 PolarHBondContact O-N 3.17Å
509	D	39.6	Very low	45	Very low	48 Å²	48	115.8 Å²	115.8	26%	0.257	57%	0.569	S	S	.	*	H	α-helix	trans	-90.5	-28.6	176.2	-149.5	10.8	0	0	0	111.6	K506 R511 R512 H513	K506-D509 HydrophobicContact CB-CB 3.81Å; K506-D509 HydrophobicContact CD-CB 4.25Å; K506-D509 WeakPolarHBondContact CE-OD2 3.31Å; K506-D509 HydrophobicContact CG-CB 3.75Å; K506-D509 IonicContact NZ-OD2 2.71Å; K506-D509 PolarHBondContact O-N 3.32Å; K506-D509 VanDerWaalsContact O-N 3.15Å; D509-R511 PolarHBondContact O-N 3.42Å; D509-R512 PolarHBondContact O-N 3.42Å; D509-R512 VanDerWaalsContact O-N 3.16Å; D509-H513 WeakPolarHBondContact O-CB 3.43Å; D509-H513 PolarHBondContact O-N 3.35Å; D509-H513 IonicContact OD1-CE1 3.01Å; D509-H513 PolarHBondContact OD1-CE1 3.49Å; D509-H513 IonicContact OD1-ND1 2.94Å; D509-H513 PolarHBondContact OD1-ND1 3.24Å
510	W	33.5	Very low	43.3	Very low	159 Å²	159	121.6 Å²	121.6	60%	0.602	60%	0.599	S	S	*	*	H	α-helix	trans	-60.9	-41.6	172.9	-87.8	102.5	0	0	0	112.6	K506 R512 F514	K506-W510 PolarHBondContact O-N 3.07Å; K506-W510 VanDerWaalsContact O-N 3.1Å; W510-R512 VanDerWaalsContact C-N 3.35Å; W510-F514 AromaticContact CE3-CD2 3.57Å; W510-F514 HydrophobicContact CE3-CD2 3.57Å; W510-F514 AromaticContact CE3-CE2 3.94Å; W510-F514 HydrophobicContact CE3-CE2 3.94Å; W510-F514 HydrophobicContact CH2-CE2 4.2Å; W510-F514 AromaticContact CZ3-CD2 3.51Å; W510-F514 HydrophobicContact CZ3-CD2 3.51Å; W510-F514 AromaticContact CZ3-CE2 3.43Å; W510-F514 HydrophobicContact CZ3-CE2 3.43Å; W510-F514 VanDerWaalsContact CZ3-CE2 3.43Å; W510-F514 HydrophobicContact CZ3-CZ 4.43Å; W510-F514 PolarHBondContact O-N 2.91Å; W510-F514 VanDerWaalsContact O-N 3.09Å
511	R	36	Very low	41.6	Very low	211 Å²	211	132.5 Å²	132.5	80%	0.796	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-33.8	173.1	-90.6	-172.5	-169.5	155.3	3.5	112.7	D509 G515	D509-R511 PolarHBondContact O-N 3.42Å; R511-G515 WeakPolarHBondContact O-CA 3.43Å; R511-G515 PolarHBondContact O-N 3.33Å
512	R	40.8	Very low	40.5	Very low	213 Å²	213	135.8 Å²	135.8	80%	0.804	66%	0.66	S	S	*	*	H	α-helix	trans	-73.7	-35.3	177.2	-100.5	-178.5	-178.4	152.8	2.1	113.3	D509 W510	D509-R512 PolarHBondContact O-N 3.42Å; D509-R512 VanDerWaalsContact O-N 3.16Å; W510-R512 VanDerWaalsContact C-N 3.35Å
513	H	38.4	Very low	39.9	Very low	126 Å²	126	137.9 Å²	137.9	58%	0.583	66%	0.664	S	S	*	*	H	α-helix	trans	-84.4	-36	-176.7	-87.2	77.5	0	0	0	113.6	D509	D509-H513 WeakPolarHBondContact O-CB 3.43Å; D509-H513 PolarHBondContact O-N 3.35Å; D509-H513 IonicContact OD1-CE1 3.01Å; D509-H513 PolarHBondContact OD1-CE1 3.49Å; D509-H513 IonicContact OD1-ND1 2.94Å; D509-H513 PolarHBondContact OD1-ND1 3.24Å
514	F	42.5	Very low	39.9	Very low	121 Å²	121	137.2 Å²	137.2	53%	0.531	66%	0.658	S	S	.	*	H	α-helix	trans	-105.4	-10.1	-179.9	-76.6	-80.5	0	0	0	115	W510 K516 Y517	W510-F514 AromaticContact CE3-CD2 3.57Å; W510-F514 HydrophobicContact CE3-CD2 3.57Å; W510-F514 AromaticContact CE3-CE2 3.94Å; W510-F514 HydrophobicContact CE3-CE2 3.94Å; W510-F514 HydrophobicContact CH2-CE2 4.2Å; W510-F514 AromaticContact CZ3-CD2 3.51Å; W510-F514 HydrophobicContact CZ3-CD2 3.51Å; W510-F514 AromaticContact CZ3-CE2 3.43Å; W510-F514 HydrophobicContact CZ3-CE2 3.43Å; W510-F514 VanDerWaalsContact CZ3-CE2 3.43Å; W510-F514 HydrophobicContact CZ3-CZ 4.43Å; W510-F514 PolarHBondContact O-N 2.91Å; W510-F514 VanDerWaalsContact O-N 3.09Å; F514-K516 PolarHBondContact O-N 2.94Å; F514-Y517 HydrophobicContact CD1-CD2 4.05Å; F514-Y517 HydrophobicContact CE1-CD2 4.49Å; F514-Y517 PolarHBondContact O-N 3.44Å
515	G	42	Very low	40	Very low	44 Å²	44	140.2 Å²	140.2	45%	0.454	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	-8.9	169.1	0	0	0	0	0	114.1	R511 S518	R511-G515 WeakPolarHBondContact O-CA 3.43Å; R511-G515 PolarHBondContact O-N 3.33Å; G515-S518 PolarHBondContact O-OG 3.13Å
516	K	44.7	Very low	40.1	Very low	179 Å²	179	141.9 Å²	141.9	78%	0.778	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-8.4	171	-103.2	-176.7	176.2	-177.6	0	114.8	F514	F514-K516 PolarHBondContact O-N 2.94Å
517	Y	44.8	Very low	40.4	Very low	145 Å²	145	142.5 Å²	142.5	57%	0.569	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-4.3	177.9	-70	-76.5	0	0	0	114	F514 N519 L520	F514-Y517 HydrophobicContact CD1-CD2 4.05Å; F514-Y517 HydrophobicContact CE1-CD2 4.49Å; F514-Y517 PolarHBondContact O-N 3.44Å; Y517-N519 PolarHBondContact O-N 3.4Å; Y517-L520 HydrophobicContact CD1-CD1 4.49Å; Y517-L520 PolarHBondContact O-N 3.34Å
518	S	44.2	Very low	40.7	Very low	80 Å²	80	143.2 Å²	143.2	56%	0.559	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-2.6	173.3	66.6	0	0	0	0	114.2	G515	G515-S518 PolarHBondContact O-OG 3.13Å
519	N	45.1	Very low	40.9	Very low	147 Å²	147	143.2 Å²	143.2	79%	0.786	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	13.5	172.6	-74.5	-9.1	0	0	0	112.8	Y517	Y517-N519 PolarHBondContact O-N 3.4Å
520	L	42.9	Very low	41	Very low	138 Å²	138	151.1 Å²	151.1	72%	0.723	69%	0.69	S	S	*	*			trans	-119.4	6.1	175	-90.6	159.5	0	0	0	113.7	Y517	Y517-L520 HydrophobicContact CD1-CD1 4.49Å; Y517-L520 PolarHBondContact O-N 3.34Å
521	F	37.1	Very low	41.7	Very low	250 Å²	250	150.4 Å²	150.4	100%	1.096	70%	0.698	S	S	*	*			trans	-119	0	158.9	-71.3	-81.1	0	0	0	107.4

Retrieved 521 of 521 residues in 867.5 ms (Link to these results)

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