A0A3Q0KCX4_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KCX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 699 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	34.5	Very low	31.2	Very low	232 Å²	232	167.4 Å²	167.4	100%	1.143	84%	0.835	S	S	*	*				0	139.5	0	-92.9	-174.7	170.4	0	0	108.4
2	L	29	Very low	31.2	Very low	157 Å²	157	162.8 Å²	162.8	82%	0.822	83%	0.83	S	S	*	*			trans	38	111.3	165.7	-65.1	99.2	0	0	0	118.4
3	S	28.2	Very low	30.8	Very low	96 Å²	96	167 Å²	167	67%	0.671	84%	0.84	S	S	*	*				87.8	146.6	69.6	-170.7	0	0	0	0	114.2
4	T	33	Very low	30.8	Very low	112 Å²	112	159.4 Å²	159.4	69%	0.687	83%	0.825	S	S	*	*			trans	71.8	148.8	175.6	68.7	0	0	0	0	116.4
5	R	33.5	Very low	30.4	Very low	230 Å²	230	162 Å²	162	87%	0.868	83%	0.832	S	S	*	*			cis	-154.7	158.4	4.1	-134.6	168.8	-121.7	-173.5	-0.5	112.5
6	Y	28.4	Very low	30.2	Very low	204 Å²	204	164.4 Å²	164.4	80%	0.8	84%	0.835	S	S	*	*			trans	-59.6	154.8	171.5	-98	-117.8	0	0	0	114.7	E8	Y6-E8 HydrophobicContact CD1-CG 4.24Å
7	K	36.3	Very low	30	Very low	210 Å²	210	160.1 Å²	160.1	91%	0.913	82%	0.823	S	S	*	*				-156.2	135.9	129.4	-118.2	178.8	-177.8	-176.6	0	112.4
8	E	29.2	Very low	29.8	Very low	163 Å²	163	158.9 Å²	158.9	76%	0.762	82%	0.824	S	S	*	*			trans	-89.7	156.7	-179	-60.1	154.6	115.1	0	0	112	Y6	Y6-E8 HydrophobicContact CD1-CG 4.24Å
9	S	32.4	Very low	29.6	Very low	124 Å²	124	157.3 Å²	157.3	87%	0.867	82%	0.817	S	S	*	*			trans	-151.8	111.2	141.7	65.3	0	0	0	0	110.3
10	S	27.3	Very low	29.5	Very low	109 Å²	109	154.1 Å²	154.1	76%	0.762	81%	0.808	S	S	*	*			trans	-88.1	149.4	177.5	36.6	0	0	0	0	112
11	K	31.9	Very low	29.5	Very low	204 Å²	204	153.5 Å²	153.5	89%	0.887	80%	0.801	S	S	*	*			trans	-168.8	148.5	146	-109.4	160.5	-171	-178.9	0	115.2
12	S	30.5	Very low	29.3	Very low	112 Å²	112	150.8 Å²	150.8	78%	0.783	78%	0.778	S	S	*	*			trans	57.4	106.3	166.1	54	0	0	0	0	119.9
13	F	26.7	Very low	29.4	Very low	218 Å²	218	147.8 Å²	147.8	96%	0.956	77%	0.768	S	S	*	*			trans	-45.2	132.2	147.3	-104.3	-117.3	0	0	0	111.4
14	G	30.3	Very low	29.5	Very low	61 Å²	61	151.5 Å²	151.5	63%	0.629	77%	0.772	S	S	*	*			trans	-121.9	120.6	168.7	0	0	0	0	0	109.7	F16	G14-F16 PolarHBondContact O-N 3.22Å
15	Q	25.2	Very low	29.6	Very low	198 Å²	198	149 Å²	149	93%	0.925	75%	0.754	S	S	*	*			trans	-79.5	103.8	-172.5	-175	171.3	-6.7	0	0	110.2
16	F	26.8	Very low	29.9	Very low	200 Å²	200	140 Å²	140	88%	0.877	73%	0.725	S	S	*	*			trans	-83.4	117.5	177.9	-99.4	-86.8	0	0	0	111.7	G14	G14-F16 PolarHBondContact O-N 3.22Å
17	S	26.5	Very low	30.3	Very low	91 Å²	91	138.6 Å²	138.6	64%	0.636	72%	0.723	S	S	*	*			trans	-65.4	143.9	170.8	-168	0	0	0	0	110.6	D19	S17-D19 PolarHBondContact O-N 3.38Å
18	V	26.5	Very low	30.6	Very low	140 Å²	140	129.9 Å²	129.9	85%	0.848	69%	0.688	S	S	*	*			trans	-88.2	89.4	172.8	-179.5	0	0	0	0	107.7	S20	V18-S20 PolarHBondContact O-N 2.84Å
19	D	26.5	Very low	31.5	Very low	127 Å²	127	123 Å²	123	68%	0.679	66%	0.655	S	S	*	*			trans	-79.1	117.7	170.1	-80.6	-29.8	0	0	0	110	S17 H21	S17-D19 PolarHBondContact O-N 3.38Å; D19-H21 PolarHBondContact O-N 3.3Å
20	S	26.6	Very low	32.1	Very low	93 Å²	93	119.3 Å²	119.3	65%	0.65	63%	0.63	S	S	*	*			trans	-65.6	113.1	171.1	45.9	0	0	0	0	109.6	V18	V18-S20 PolarHBondContact O-N 2.84Å
21	H	30.9	Very low	32.5	Very low	142 Å²	142	119.3 Å²	119.3	66%	0.657	62%	0.62	S	S	*	*			trans	-126.1	109.3	175.8	-91.8	27.4	0	0	0	110.3	D19	D19-H21 PolarHBondContact O-N 3.3Å
22	R	29.4	Very low	33.3	Very low	175 Å²	175	113 Å²	113	66%	0.66	59%	0.591	S	S	*	*			trans	-43.2	140.3	164.8	-141.1	178	-176.3	-160.4	-5.9	109.7	K24 E231	R22-K24 PolarHBondContact O-N 2.77Å; R22-E231 IonicContact NH2-OE1 3.55Å; R22-E231 PolarHBondContact NH2-OE1 2.93Å
23	P	31.1	Very low	33.8	Very low	94 Å²	94	110.5 Å²	110.5	61%	0.61	57%	0.569	S	S	*	*			trans	-51.1	127.7	172.6	-25.5	34.3	0	0	0	109.8	I25	P23-I25 PolarHBondContact O-N 2.99Å
24	K	30.3	Very low	34.2	Very low	175 Å²	175	103.8 Å²	103.8	76%	0.761	55%	0.549	S	S	*	.			trans	-71.7	98.9	179.9	-73.2	-179.3	179.3	175.4	0	108.5	R22 T26	R22-K24 PolarHBondContact O-N 2.77Å; K24-T26 PolarHBondContact O-N 3.04Å; K24-T26 VanDerWaalsContact O-N 3.12Å
25	I	34.6	Very low	34.4	Very low	60 Å²	60	106.6 Å²	106.6	31%	0.308	55%	0.549	S	S	.	.			trans	-38.4	118.3	164.4	-63.6	175.9	0	0	0	107.9	P23 W29	P23-I25 PolarHBondContact O-N 2.99Å; I25-W29 HydrophobicContact CG2-CB 3.37Å
26	T	39.6	Very low	34.9	Very low	41 Å²	41	100 Å²	100	25%	0.252	52%	0.517	S	S	.	.			trans	-68.4	155.6	-173.3	60.6	0	0	0	0	110.1	K24 S28 W29 S30	K24-T26 PolarHBondContact O-N 3.04Å; K24-T26 VanDerWaalsContact O-N 3.12Å; T26-S28 PolarHBondContact O-N 3.2Å; T26-W29 PolarHBondContact O-N 3.09Å; T26-W29 VanDerWaalsContact OG1-CD1 3.29Å; T26-S30 PolarHBondContact O-N 3.29Å; T26-S30 VanDerWaalsContact O-N 3.08Å
27	K	37.2	Very low	35.4	Very low	174 Å²	174	94.8 Å²	94.8	76%	0.757	51%	0.506	S	S	*	.	H	α-helix	trans	-55.9	-27.8	-163	-73.6	-173.4	177.8	-178	0	115	S30 L31	K27-S30 WeakPolarHBondContact CA-OG 3.4Å; K27-S30 PolarHBondContact O-OG 3.25Å; K27-L31 WeakPolarHBondContact O-CB 3.27Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.3Å; K27-L31 PolarHBondContact O-N 3.1Å
28	S	43	Very low	35.7	Very low	26 Å²	26	95.6 Å²	95.6	18%	0.182	51%	0.511	C	S	.	.	H	α-helix	trans	-69.1	-46.3	176.5	39.2	0	0	0	0	112.7	T26 L31 R32 N356	T26-S28 PolarHBondContact O-N 3.2Å; S28-L31 PolarHBondContact O-N 2.95Å; S28-R32 PolarHBondContact O-N 2.82Å; S28-N356 VanDerWaalsContact CB-CG 3.47Å; S28-N356 WeakPolarHBondContact CB-OD1 3.35Å; S28-N356 PolarHBondContact OG-OD1 3.11Å
29	W	48.7	Very low	36.2	Very low	19 Å²	19	96 Å²	96	7%	0.072	50%	0.498	C	S	.	.	H	α-helix	trans	-65.3	-43.6	174.5	-64.3	83.3	0	0	0	110.6	I25 T26 L31 R32 D33 F230 F233 P357 L359 L362	I25-W29 HydrophobicContact CG2-CB 3.37Å; T26-W29 PolarHBondContact O-N 3.09Å; T26-W29 VanDerWaalsContact OG1-CD1 3.29Å; W29-L31 PolarHBondContact O-N 3.39Å; W29-R32 PolarHBondContact O-N 3.11Å; W29-D33 PolarHBondContact O-N 3.37Å; W29-D33 VanDerWaalsContact O-N 3.15Å; W29-F230 HydrophobicContact CZ3-CD1 4.41Å; W29-F233 HydrophobicContact CH2-CB 3.74Å; W29-F233 HydrophobicContact CZ2-CB 4.35Å; W29-P357 HydrophobicContact CZ2-CG 4.4Å; W29-L359 HydrophobicContact CD2-CD1 4.14Å; W29-L359 HydrophobicContact CE3-CD1 4.19Å; W29-L359 HydrophobicContact CH2-CD1 3.91Å; W29-L359 HydrophobicContact CH2-CD2 4.12Å; W29-L359 HydrophobicContact CZ2-CD1 3.88Å; W29-L359 HydrophobicContact CZ2-CD2 4.2Å; W29-L359 HydrophobicContact CZ3-CD1 4.08Å; W29-L362 HydrophobicContact CH2-CD2 4.2Å; W29-L362 HydrophobicContact CZ3-CD2 3.79Å
30	S	43.7	Very low	36.5	Very low	47 Å²	47	99.7 Å²	99.7	33%	0.329	50%	0.502	S	S	.	.	H	α-helix	trans	-66.9	-22.5	176.6	72.8	0	0	0	0	113.8	T26 K27 S34	T26-S30 PolarHBondContact O-N 3.29Å; T26-S30 VanDerWaalsContact O-N 3.08Å; K27-S30 WeakPolarHBondContact CA-OG 3.4Å; K27-S30 PolarHBondContact O-OG 3.25Å; S30-S34 WeakPolarHBondContact O-CB 3.05Å; S30-S34 PolarHBondContact O-N 3.46Å
31	L	37	Very low	36.7	Very low	108 Å²	108	98.1 Å²	98.1	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-70.7	-39.4	175.9	-92.1	165.5	0	0	0	111.3	K27 S28 W29 L35	K27-L31 WeakPolarHBondContact O-CB 3.27Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.3Å; K27-L31 PolarHBondContact O-N 3.1Å; S28-L31 PolarHBondContact O-N 2.95Å; W29-L31 PolarHBondContact O-N 3.39Å; L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 WeakPolarHBondContact O-CD1 3.32Å; L31-L35 VanDerWaalsContact O-CG 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.25Å
32	R	48.1	Very low	36.6	Very low	72 Å²	72	103.6 Å²	103.6	27%	0.272	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-51.6	169	-104.2	-172.4	172	169.6	1.7	110.6	S28 W29 S34 L35 F36 L359	S28-R32 PolarHBondContact O-N 2.82Å; W29-R32 PolarHBondContact O-N 3.11Å; R32-S34 VanDerWaalsContact C-N 3.25Å; R32-S34 PolarHBondContact O-N 3.19Å; R32-L35 PolarHBondContact O-N 3.48Å; R32-L35 VanDerWaalsContact O-N 3.14Å; R32-F36 HydrophobicContact CB-CE2 4.48Å; R32-F36 HydrophobicContact CG-CE2 4.16Å; R32-F36 WeakPolarHBondContact O-CD2 3.46Å; R32-F36 PolarHBondContact O-N 3.1Å; R32-L359 VanDerWaalsContact CZ-O 3.29Å; R32-L359 PolarHBondContact NH1-O 2.68Å; R32-L359 PolarHBondContact NH2-O 3.37Å
33	D	40.5	Very low	36.7	Very low	59 Å²	59	98.8 Å²	98.8	32%	0.316	52%	0.52	S	S	.	.	H	α-helix	trans	-57.7	-36.7	179.8	-67.7	-21.1	0	0	0	113.1	W29 S37	W29-D33 PolarHBondContact O-N 3.37Å; W29-D33 VanDerWaalsContact O-N 3.15Å; D33-S37 WeakPolarHBondContact O-CB 3.25Å; D33-S37 PolarHBondContact O-N 3.03Å; D33-S37 PolarHBondContact O-OG 2.96Å
34	S	34.6	Very low	36.5	Very low	77 Å²	77	100 Å²	100	54%	0.538	53%	0.531	S	S	.	.	H	α-helix	trans	-74.1	-38	178.4	-167.8	0	0	0	0	112.7	S30 R32 F36 S37 S38	S30-S34 WeakPolarHBondContact O-CB 3.05Å; S30-S34 PolarHBondContact O-N 3.46Å; R32-S34 VanDerWaalsContact C-N 3.25Å; R32-S34 PolarHBondContact O-N 3.19Å; S34-F36 VanDerWaalsContact C-N 3.32Å; S34-F36 PolarHBondContact O-N 2.82Å; S34-S37 PolarHBondContact O-N 3.37Å; S34-S38 PolarHBondContact O-N 3.22Å
35	L	35.7	Very low	36.5	Very low	120 Å²	120	99.6 Å²	99.6	63%	0.628	54%	0.535	S	S	*	.	H	α-helix	trans	-62.2	-38.7	173.4	-78.7	164.8	0	0	0	111.8	L31 R32	L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 WeakPolarHBondContact O-CD1 3.32Å; L31-L35 VanDerWaalsContact O-CG 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.25Å; R32-L35 PolarHBondContact O-N 3.48Å; R32-L35 VanDerWaalsContact O-N 3.14Å
36	F	35	Very low	36.3	Very low	60 Å²	60	100.9 Å²	100.9	26%	0.263	55%	0.55	S	S	.	.	H	α-helix	trans	-81.7	-34.7	177.3	-67.6	-65.8	0	0	0	113.6	R32 S34 S38 R39 E82	R32-F36 HydrophobicContact CB-CE2 4.48Å; R32-F36 HydrophobicContact CG-CE2 4.16Å; R32-F36 WeakPolarHBondContact O-CD2 3.46Å; R32-F36 PolarHBondContact O-N 3.1Å; S34-F36 VanDerWaalsContact C-N 3.32Å; S34-F36 PolarHBondContact O-N 2.82Å; F36-S38 PolarHBondContact O-N 3.14Å; F36-R39 PolarHBondContact O-N 3.37Å; F36-R39 VanDerWaalsContact O-N 3.11Å; F36-E82 WeakPolarHBondContact CD1-OE1 3.5Å; F36-E82 VanDerWaalsContact CE1-OE1 3.25Å; F36-E82 WeakPolarHBondContact CE1-OE1 3.42Å
37	S	36.9	Very low	35.9	Very low	91 Å²	91	106.2 Å²	106.2	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-63.5	-27.7	177.4	-65.6	0	0	0	0	113.1	D33 S34 R39	D33-S37 WeakPolarHBondContact O-CB 3.25Å; D33-S37 PolarHBondContact O-N 3.03Å; D33-S37 PolarHBondContact O-OG 2.96Å; S34-S37 PolarHBondContact O-N 3.37Å; S37-R39 VanDerWaalsContact C-N 3.25Å; S37-R39 PolarHBondContact O-N 3.33Å
38	S	33.6	Very low	35.5	Very low	108 Å²	108	103.9 Å²	103.9	76%	0.755	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-14.7	176.5	-137.6	0	0	0	0	114	S34 F36	S34-S38 PolarHBondContact O-N 3.22Å; F36-S38 PolarHBondContact O-N 3.14Å
39	R	38.1	Very low	34.9	Very low	149 Å²	149	111.4 Å²	111.4	56%	0.562	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-0.7	-174.7	-69.6	-175.3	169.5	-168.2	-5.2	115.1	F36 S37 G41	F36-R39 PolarHBondContact O-N 3.37Å; F36-R39 VanDerWaalsContact O-N 3.11Å; S37-R39 VanDerWaalsContact C-N 3.25Å; S37-R39 PolarHBondContact O-N 3.33Å; R39-G41 PolarHBondContact O-N 3.23Å
40	R	32.5	Very low	33.9	Very low	203 Å²	203	117.4 Å²	117.4	77%	0.766	64%	0.638	S	S	*	*			trans	-90.7	75.8	177.6	-66.7	-170.5	-174.9	-158.5	-1.1	112.1
41	G	29.5	Very low	33.2	Very low	60 Å²	60	127.2 Å²	127.2	62%	0.619	67%	0.668	S	S	*	*			trans	-150.1	87.2	-179.9	0	0	0	0	0	115.4	R39	R39-G41 PolarHBondContact O-N 3.23Å
42	R	30.6	Very low	32.6	Very low	257 Å²	257	129.8 Å²	129.8	97%	0.97	68%	0.677	S	S	*	*			trans	67.5	149.4	178.7	-52.6	175.6	171.9	-156.9	-2.9	113.9
43	G	30.2	Very low	31.6	Very low	74 Å²	74	137.5 Å²	137.5	76%	0.763	71%	0.708	S	S	*	*			cis	-165.1	166.1	-4	0	0	0	0	0	111.5
44	S	26.8	Very low	31	Very low	119 Å²	119	142 Å²	142	83%	0.832	73%	0.73	S	S	*	*			trans	-66.7	138.1	175.6	172	0	0	0	0	112
45	I	31.5	Very low	30.7	Very low	167 Å²	167	142.5 Å²	142.5	86%	0.856	74%	0.739	S	S	*	*			trans	-159.6	138.7	148.7	-100.9	147	0	0	0	108.3
46	S	28.8	Very low	30.5	Very low	87 Å²	87	142.4 Å²	142.4	61%	0.608	75%	0.745	S	S	*	*			trans	-92.4	150.9	169.2	57.6	0	0	0	0	110
47	D	31.7	Very low	30.2	Very low	154 Å²	154	148 Å²	148	82%	0.824	77%	0.77	S	S	*	*				166.7	156.1	119.8	-81.4	-4.7	0	0	0	111.8
48	T	29.3	Very low	30	Very low	125 Å²	125	150 Å²	150	77%	0.767	77%	0.773	S	S	*	*			trans	-75.7	141.9	-178.5	48.9	0	0	0	0	112.5
49	H	30.4	Very low	29.9	Very low	183 Å²	183	152.9 Å²	152.9	85%	0.847	77%	0.768	S	S	*	*			trans	-158.9	145	131.2	-115.9	-75.4	0	0	0	113.6
50	E	27.7	Very low	29.5	Very low	146 Å²	146	152.1 Å²	152.1	68%	0.682	77%	0.771	S	S	*	*			trans	-94.5	140.2	-173.7	175.4	-178.1	-155.4	0	0	111.5
51	W	28.2	Very low	29.4	Very low	253 Å²	253	148.3 Å²	148.3	96%	0.958	77%	0.765	S	S	*	*			trans	-145.3	125.1	160	-81.6	104.9	0	0	0	110.9
52	Q	25.3	Very low	29.8	Very low	161 Å²	161	149.9 Å²	149.9	75%	0.752	76%	0.756	S	S	*	*			trans	-83.2	139	177.8	-65.4	171.6	-34.9	0	0	111.2
53	Y	26.5	Very low	30	Very low	235 Å²	235	142.7 Å²	142.7	92%	0.922	74%	0.737	S	S	*	*			trans	-146.4	153.7	142	-138.9	-99.6	0	0	0	110.5
54	I	27.7	Very low	30	Very low	153 Å²	153	146.5 Å²	146.5	79%	0.785	74%	0.735	S	S	*	*			trans	-104.6	114.9	-156.5	-61.9	168.2	0	0	0	110.8
55	A	28.9	Very low	30.2	Very low	87 Å²	87	150.1 Å²	150.1	72%	0.719	74%	0.736	S	S	*	*			trans	-104.2	140.1	160.3	0	0	0	0	0	109.7	K57	A55-K57 PolarHBondContact O-N 3.18Å
56	P	31	Very low	30.2	Very low	118 Å²	118	148.3 Å²	148.3	77%	0.766	72%	0.724	S	S	*	*			trans	-74.2	102.4	-164.8	26.6	-34.3	0	0	0	115.2	L58	P56-L58 VanDerWaalsContact C-N 3.35Å; P56-L58 PolarHBondContact O-N 3.27Å
57	K	30.4	Very low	30.3	Very low	178 Å²	178	149.2 Å²	149.2	77%	0.774	72%	0.718	S	S	*	*	S	Bend	trans	57.9	-0.6	131.1	-83.4	-175.9	174.2	177.7	0	122.8	A55	A55-K57 PolarHBondContact O-N 3.18Å
58	L	31.1	Very low	30.1	Very low	133 Å²	133	148.1 Å²	148.1	70%	0.696	72%	0.72	S	S	*	*	S	Bend	trans	-86.5	-26.1	170.6	-99.8	161.9	0	0	0	114	P56 Q60	P56-L58 VanDerWaalsContact C-N 3.35Å; P56-L58 PolarHBondContact O-N 3.27Å; L58-Q60 VanDerWaalsContact C-N 3.34Å; L58-Q60 PolarHBondContact O-N 2.82Å
59	Y	32	Very low	30.3	Very low	168 Å²	168	144.7 Å²	144.7	66%	0.659	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-15.8	-179.3	-86.6	-80.6	0	0	0	115.6	Y545	Y59-Y545 HydrophobicContact CE1-CE1 4.5Å
60	Q	30.4	Very low	30.9	Very low	133 Å²	133	137.5 Å²	137.5	62%	0.621	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-3.4	-171.4	-78.2	-178	-24.1	0	0	115.3	L58	L58-Q60 VanDerWaalsContact C-N 3.34Å; L58-Q60 PolarHBondContact O-N 2.82Å
61	L	30.2	Very low	32	Very low	123 Å²	123	136.5 Å²	136.5	64%	0.644	67%	0.667	S	S	*	*	S	Bend	trans	-80	-23.3	179.2	-124	85.3	0	0	0	113.4	D63 Q64	L61-D63 VanDerWaalsContact C-N 3.31Å; L61-D63 PolarHBondContact O-N 3.06Å; L61-Q64 PolarHBondContact O-N 3.06Å
62	E	37.9	Very low	33.3	Very low	93 Å²	93	126.4 Å²	126.4	44%	0.435	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-73.9	-20.7	178.6	-94.1	162	148.2	0	0	113.5	Q64 K549	E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 2.82Å; E62-K549 WeakPolarHBondContact OE1-CE 3.36Å; E62-K549 IonicContact OE1-NZ 2.9Å; E62-K549 PolarHBondContact OE1-NZ 3.12Å; E62-K549 IonicContact OE2-NZ 2.76Å; E62-K549 PolarHBondContact OE2-NZ 3.34Å
63	D	34.8	Very low	35.8	Very low	107 Å²	107	121.9 Å²	121.9	57%	0.572	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-71.9	-19.7	174.7	-75.7	-23.8	0	0	0	113.4	L61 F65 H66	L61-D63 VanDerWaalsContact C-N 3.31Å; L61-D63 PolarHBondContact O-N 3.06Å; D63-F65 VanDerWaalsContact C-N 3.32Å; D63-F65 PolarHBondContact O-N 3.15Å; D63-H66 WeakPolarHBondContact CA-ND1 3.33Å; D63-H66 PolarHBondContact O-N 2.98Å; D63-H66 PolarHBondContact O-ND1 3.44Å; D63-H66 VanDerWaalsContact O-ND1 3.07Å; D63-H66 IonicContact OD1-CE1 3.69Å; D63-H66 PolarHBondContact OD1-CE1 3.35Å; D63-H66 VanDerWaalsContact OD1-CE1 3.29Å; D63-H66 IonicContact OD1-ND1 3.79Å
64	Q	30.7	Very low	38.9	Very low	153 Å²	153	111.9 Å²	111.9	72%	0.715	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-80.6	-4.6	-172.6	-63.2	-168.5	-3.2	0	0	115.3	L61 E62	L61-Q64 PolarHBondContact O-N 3.06Å; E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 2.82Å
65	F	30.3	Very low	42	Very low	195 Å²	195	106 Å²	106	86%	0.855	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-112.1	21.2	172.7	-77.6	-81.2	0	0	0	113.6	D63 H67	D63-F65 VanDerWaalsContact C-N 3.32Å; D63-F65 PolarHBondContact O-N 3.15Å; F65-H67 PolarHBondContact O-N 3.34Å
66	H	31.2	Very low	45.1	Very low	130 Å²	130	105.9 Å²	105.9	60%	0.602	53%	0.528	S	S	*	.			trans	-65.9	101.1	170.4	-84	78.2	0	0	0	111.5	D63 P68	D63-H66 WeakPolarHBondContact CA-ND1 3.33Å; D63-H66 PolarHBondContact O-N 2.98Å; D63-H66 PolarHBondContact O-ND1 3.44Å; D63-H66 VanDerWaalsContact O-ND1 3.07Å; D63-H66 IonicContact OD1-CE1 3.69Å; D63-H66 PolarHBondContact OD1-CE1 3.35Å; D63-H66 VanDerWaalsContact OD1-CE1 3.29Å; D63-H66 IonicContact OD1-ND1 3.79Å; H66-P68 WeakPolarHBondContact O-CD 3.44Å
67	H	30.4	Very low	48	Very low	106 Å²	106	100.5 Å²	100.5	49%	0.491	49%	0.493	S	S	.	.			trans	-78.2	114	163.3	-153.2	-58.4	0	0	0	108.2	F65 A69 S70	F65-H67 PolarHBondContact O-N 3.34Å; H67-A69 PolarHBondContact O-N 3.24Å; H67-S70 PolarHBondContact O-N 3.19Å
68	P	28.9	Very low	50.9	Low	131 Å²	131	93.3 Å²	93.3	85%	0.851	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	8.8	-167.9	28.5	-37	0	0	0	115.2	H66	H66-P68 WeakPolarHBondContact O-CD 3.44Å
69	A	32.4	Very low	53.9	Low	52 Å²	52	87.5 Å²	87.5	43%	0.43	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-0.6	-174	0	0	0	0	0	113.9	H67 F679	H67-A69 PolarHBondContact O-N 3.24Å; A69-F679 HydrophobicContact CB-CD1 3.92Å; A69-F679 HydrophobicContact CB-CE1 3.77Å
70	S	43	Very low	56.8	Low	32 Å²	32	79.5 Å²	79.5	22%	0.224	40%	0.402	C	S	.	.			trans	-138.1	112.4	177	-174.1	0	0	0	0	109.8	H67 C72 H301	H67-S70 PolarHBondContact O-N 3.19Å; S70-C72 PolarHBondContact O-N 2.85Å; S70-C72 PolarHBondContact O-SG 2.86Å; S70-C72 PolarHBondContact OG-SG 3.41Å; S70-C72 VanDerWaalsContact OG-SG 3.39Å; S70-H301 WeakPolarHBondContact CB-NE2 3.06Å; S70-H301 PolarHBondContact OG-CE1 3.49Å; S70-H301 PolarHBondContact OG-NE2 3.49Å
71	K	50	Low	59.8	Low	125 Å²	125	76.9 Å²	76.9	54%	0.543	39%	0.39	S	S	.	.			trans	-68.9	87.9	166.8	-79.1	-172.2	172.2	-173.9	0	108.1	D73 W75	K71-D73 PolarHBondContact O-N 3.06Å; K71-W75 HydrophobicContact CB-CH2 4.49Å
72	C	57	Low	62.8	Low	41 Å²	41	75 Å²	75	28%	0.277	38%	0.378	S	S	.	.			trans	-76.4	17.8	-179.7	-61.6	0	0	0	0	112.8	S70 H301 R304	S70-C72 PolarHBondContact O-N 2.85Å; S70-C72 PolarHBondContact O-SG 2.86Å; S70-C72 PolarHBondContact OG-SG 3.41Å; S70-C72 VanDerWaalsContact OG-SG 3.39Å; C72-H301 PolarHBondContact SG-CD2 3.26Å; C72-R304 WeakPolarHBondContact O-CD 3.46Å; C72-R304 PolarHBondContact O-NE 2.78Å
73	D	77.3	Confident	65.3	Low	67 Å²	67	70.7 Å²	70.7	36%	0.358	36%	0.358	S	S	.	.			trans	-73.3	144	-167.3	-53.4	-37.4	0	0	0	110.8	K71 W75 T367	K71-D73 PolarHBondContact O-N 3.06Å; D73-W75 HydrophobicContact CB-CD2 4.1Å; D73-W75 HydrophobicContact CB-CE3 4.39Å; D73-W75 HydrophobicContact CB-CH2 3.66Å; D73-W75 HydrophobicContact CB-CZ2 3.35Å; D73-W75 HydrophobicContact CB-CZ3 4.18Å; D73-W75 VanDerWaalsContact OD2-CZ2 3.3Å; D73-W75 WeakPolarHBondContact OD2-CZ2 3.38Å; D73-T367 PolarHBondContact O-OG1 3.47Å
74	V	90.5	Very high	68	Low	24 Å²	24	68.4 Å²	68.4	15%	0.145	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	102.1	166.5	-177.7	0	0	0	0	107.1	R76 R304 I306	V74-R76 HydrophobicContact CG1-CG 4.01Å; V74-R76 PolarHBondContact O-NH1 2.95Å; V74-R304 HydrophobicContact CG2-CB 4.4Å; V74-I306 HydrophobicContact CG1-CG2 4.03Å
75	W	93.6	Very high	70.8	Confident	31 Å²	31	67 Å²	67	12%	0.117	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.5	174.2	-56	-81.4	0	0	0	109	K71 D73 P84 A86 A87 Y89 A365 V366	K71-W75 HydrophobicContact CB-CH2 4.49Å; D73-W75 HydrophobicContact CB-CD2 4.1Å; D73-W75 HydrophobicContact CB-CE3 4.39Å; D73-W75 HydrophobicContact CB-CH2 3.66Å; D73-W75 HydrophobicContact CB-CZ2 3.35Å; D73-W75 HydrophobicContact CB-CZ3 4.18Å; D73-W75 VanDerWaalsContact OD2-CZ2 3.3Å; D73-W75 WeakPolarHBondContact OD2-CZ2 3.38Å; W75-P84 HydrophobicContact CB-CG 4.25Å; W75-P84 HydrophobicContact CG-CG 4.19Å; W75-A86 HydrophobicContact CZ2-CB 4.41Å; W75-A86 WeakPolarHBondContact CZ2-O 3.15Å; W75-A87 HydrophobicContact CB-CB 3.52Å; W75-A87 HydrophobicContact CD2-CB 3.7Å; W75-A87 HydrophobicContact CE3-CB 3.95Å; W75-A87 HydrophobicContact CG-CB 3.52Å; W75-Y89 HydrophobicContact CE3-CE2 4.31Å; W75-Y89 AromaticContact CH2-CE2 3.79Å; W75-Y89 HydrophobicContact CH2-CE2 3.79Å; W75-Y89 AromaticContact CH2-CZ 3.85Å; W75-Y89 WeakPolarHBondContact CH2-OH 3.25Å; W75-Y89 AromaticContact CZ3-CE2 3.59Å; W75-Y89 HydrophobicContact CZ3-CE2 3.59Å; W75-A365 CarbonylContact O-C 3.53Å; W75-A365 WeakPolarHBondContact O-CA 3.24Å; W75-V366 HydrophobicContact CE3-CB 4.42Å; W75-V366 HydrophobicContact CE3-CG1 4.47Å; W75-V366 PolarHBondContact N-O 3.29Å; W75-V366 PolarHBondContact O-N 3.5Å
76	R	93.3	Very high	73.6	Confident	83 Å²	83	60 Å²	60	31%	0.313	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.7	179.2	-53.9	-178.7	-170	78.8	-2	109.7	V74 E305 I306 V310 C364 A365	V74-R76 HydrophobicContact CG1-CG 4.01Å; V74-R76 PolarHBondContact O-NH1 2.95Å; R76-E305 PolarHBondContact NH2-O 2.7Å; R76-I306 PolarHBondContact NE-O 2.86Å; R76-V310 HydrophobicContact CB-CG2 3.59Å; R76-C364 WeakPolarHBondContact CA-O 3.33Å; R76-A365 HydrophobicContact CG-CB 3.96Å
77	S	92.8	Very high	76.5	Confident	5 Å²	5	53.8 Å²	53.8	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	158.8	-174.7	178.6	0	0	0	0	110.6	C79 E82 L83 I363 C364	S77-C79 WeakPolarHBondContact CB-O 3.34Å; S77-C79 PolarHBondContact OG-N 3.5Å; S77-C79 PolarHBondContact OG-O 3.05Å; S77-E82 WeakPolarHBondContact OG-CB 3.19Å; S77-L83 PolarHBondContact OG-N 3.38Å; S77-I363 CarbonylContact O-C 3.49Å; S77-I363 VanDerWaalsContact O-CA 3.3Å; S77-I363 WeakPolarHBondContact O-CA 3.45Å; S77-C364 PolarHBondContact N-O 2.87Å; S77-C364 PolarHBondContact O-N 3.06Å
78	L	92.2	Very high	79.4	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.141	28%	0.281	C	S	.	.	S	Bend	trans	-79.2	-24.6	173.7	-56.8	178.2	0	0	0	112	V310 T312	L78-V310 HydrophobicContact CD2-CB 3.88Å; L78-V310 HydrophobicContact CD2-CG1 3.78Å; L78-V310 HydrophobicContact CG-CG1 3.9Å; L78-T312 HydrophobicContact CD1-CG2 4.42Å
79	C	92.8	Very high	82.5	Confident	11 Å²	11	45.7 Å²	45.7	7%	0.074	25%	0.247	C	C	.	.	S	Bend	trans	-146.3	159.2	175.4	70	0	0	0	0	112.8	S77 Q81 E82 F230 C364	S77-C79 WeakPolarHBondContact CB-O 3.34Å; S77-C79 PolarHBondContact OG-N 3.5Å; S77-C79 PolarHBondContact OG-O 3.05Å; C79-Q81 PolarHBondContact O-N 3.33Å; C79-E82 PolarHBondContact O-N 3.38Å; C79-E82 VanDerWaalsContact SG-CD 3.52Å; C79-E82 VanDerWaalsContact SG-CG 3.54Å; C79-E82 PolarHBondContact SG-OE2 3.41Å; C79-E82 VanDerWaalsContact SG-OE2 3.39Å; C79-F230 HydrophobicContact CB-CE1 4.38Å; C79-C364 PolarHBondContact O-SG 3.42Å
80	P	94.2	Very high	85.4	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-54.5	-34.7	176.3	-26.4	34.6	0	0	0	114	E82 L83 R223 A226 Q227 F230	P80-E82 VanDerWaalsContact C-N 3.25Å; P80-E82 PolarHBondContact O-N 3.49Å; P80-L83 WeakPolarHBondContact O-CB 3.19Å; P80-L83 PolarHBondContact O-N 3.29Å; P80-R223 HydrophobicContact CB-CG 4.36Å; P80-R223 WeakPolarHBondContact O-CG 3.18Å; P80-R223 PolarHBondContact O-NE 3.24Å; P80-A226 HydrophobicContact CB-CB 4.01Å; P80-A226 HydrophobicContact CG-CB 3.97Å; P80-Q227 HydrophobicContact CB-CB 4.39Å; P80-Q227 HydrophobicContact CG-CB 4.36Å; P80-F230 HydrophobicContact CG-CD1 4.28Å; P80-F230 HydrophobicContact CG-CD2 4.31Å; P80-F230 HydrophobicContact CG-CG 4.16Å
81	Q	93.4	Very high	87.6	Confident	79 Å²	79	44.6 Å²	44.6	37%	0.369	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-71.8	-18.6	-175.7	-66.7	70.5	20.2	0	0	113.4	C79	C79-Q81 PolarHBondContact O-N 3.33Å
82	E	92.1	Very high	89.3	Confident	83 Å²	83	41.3 Å²	41.3	39%	0.388	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-98.1	-3.9	176.8	-78.1	169.2	169	0	0	112.9	F36 S77 C79 P80	F36-E82 WeakPolarHBondContact CD1-OE1 3.5Å; F36-E82 VanDerWaalsContact CE1-OE1 3.25Å; F36-E82 WeakPolarHBondContact CE1-OE1 3.42Å; S77-E82 WeakPolarHBondContact OG-CB 3.19Å; C79-E82 PolarHBondContact O-N 3.38Å; C79-E82 VanDerWaalsContact SG-CD 3.52Å; C79-E82 VanDerWaalsContact SG-CG 3.54Å; C79-E82 PolarHBondContact SG-OE2 3.41Å; C79-E82 VanDerWaalsContact SG-OE2 3.39Å; P80-E82 VanDerWaalsContact C-N 3.25Å; P80-E82 PolarHBondContact O-N 3.49Å
83	L	90.3	Very high	90.5	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	22%	0.219	C	C	.	.	S	Bend	trans	-58.7	125.4	171.3	-75.5	169.7	0	0	0	109.5	S77 P80 A87 R223 A226 V366	S77-L83 PolarHBondContact OG-N 3.38Å; P80-L83 WeakPolarHBondContact O-CB 3.19Å; P80-L83 PolarHBondContact O-N 3.29Å; L83-A87 HydrophobicContact CD2-CB 4.44Å; L83-R223 PolarHBondContact O-NH2 3.07Å; L83-A226 HydrophobicContact CD1-CB 3.95Å; L83-V366 HydrophobicContact CD1-CG2 4.01Å; L83-V366 HydrophobicContact CD2-CG2 4.16Å
84	P	90.8	Very high	90.7	Very high	58 Å²	58	38 Å²	38	38%	0.377	20%	0.204	S	C	.	.			trans	-65.9	152	-179.1	28.8	-35.3	0	0	0	110	W75 A86 A87	W75-P84 HydrophobicContact CB-CG 4.25Å; W75-P84 HydrophobicContact CG-CG 4.19Å; P84-A86 PolarHBondContact O-N 3.44Å; P84-A87 HydrophobicContact CG-CB 4.16Å; P84-A87 WeakPolarHBondContact O-CA 3.38Å; P84-A87 VanDerWaalsContact O-CB 3.25Å; P84-A87 WeakPolarHBondContact O-CB 3.49Å; P84-A87 PolarHBondContact O-N 3Å
85	D	90.3	Very high	90.2	Very high	124 Å²	124	45 Å²	45	66%	0.663	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-62.7	-21.3	-176.2	-63.8	-37.6	0	0	0	113.3	A87 V88 R223	D85-A87 PolarHBondContact O-N 2.9Å; D85-V88 PolarHBondContact O-N 2.98Å; D85-V88 VanDerWaalsContact O-N 3.15Å; D85-R223 IonicContact OD1-CZ 2.96Å; D85-R223 IonicContact OD1-NH1 2.75Å; D85-R223 IonicContact OD1-NH2 3.21Å; D85-R223 PolarHBondContact OD1-NH2 3.43Å
86	A	89	Confident	89.8	Confident	47 Å²	47	48.1 Å²	48.1	39%	0.388	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62.1	-22.6	169.5	0	0	0	0	0	114.1	W75 P84 Y89	W75-A86 HydrophobicContact CZ2-CB 4.41Å; W75-A86 WeakPolarHBondContact CZ2-O 3.15Å; P84-A86 PolarHBondContact O-N 3.44Å; A86-Y89 WeakPolarHBondContact O-CE2 3.46Å; A86-Y89 PolarHBondContact O-OH 2.89Å
87	A	91.4	Very high	89.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-91.1	-5.3	177.3	0	0	0	0	0	113.4	W75 L83 P84 D85 Y89 T222 V366	W75-A87 HydrophobicContact CB-CB 3.52Å; W75-A87 HydrophobicContact CD2-CB 3.7Å; W75-A87 HydrophobicContact CE3-CB 3.95Å; W75-A87 HydrophobicContact CG-CB 3.52Å; L83-A87 HydrophobicContact CD2-CB 4.44Å; P84-A87 HydrophobicContact CG-CB 4.16Å; P84-A87 WeakPolarHBondContact O-CA 3.38Å; P84-A87 VanDerWaalsContact O-CB 3.25Å; P84-A87 WeakPolarHBondContact O-CB 3.49Å; P84-A87 PolarHBondContact O-N 3Å; D85-A87 PolarHBondContact O-N 2.9Å; A87-Y89 WeakPolarHBondContact O-CD2 3.25Å; A87-Y89 PolarHBondContact O-N 3.49Å; A87-T222 PolarHBondContact O-OG1 3.09Å; A87-V366 HydrophobicContact CB-CB 4.31Å
88	V	93.2	Very high	89.3	Confident	33 Å²	33	45.4 Å²	45.4	20%	0.2	24%	0.241	C	C	.	.			trans	-95.4	95.2	-171.1	-174.6	0	0	0	0	109.5	D85 D221 T222 R223	D85-V88 PolarHBondContact O-N 2.98Å; D85-V88 VanDerWaalsContact O-N 3.15Å; V88-D221 HydrophobicContact CG1-CB 3.89Å; V88-T222 WeakPolarHBondContact CA-OG1 3.45Å; V88-R223 HydrophobicContact CG2-CB 4.44Å; V88-R223 VanDerWaalsContact CG2-CZ 3.4Å
89	Y	92.5	Very high	89.1	Confident	34 Å²	34	48.5 Å²	48.5	13%	0.133	26%	0.258	C	S	.	.			trans	-105.4	131	-178	-67.7	-79.5	0	0	0	110.4	W75 A86 A87 T91 D221 T222 V258 V366 L368	W75-Y89 HydrophobicContact CE3-CE2 4.31Å; W75-Y89 AromaticContact CH2-CE2 3.79Å; W75-Y89 HydrophobicContact CH2-CE2 3.79Å; W75-Y89 AromaticContact CH2-CZ 3.85Å; W75-Y89 WeakPolarHBondContact CH2-OH 3.25Å; W75-Y89 AromaticContact CZ3-CE2 3.59Å; W75-Y89 HydrophobicContact CZ3-CE2 3.59Å; A86-Y89 WeakPolarHBondContact O-CE2 3.46Å; A86-Y89 PolarHBondContact O-OH 2.89Å; A87-Y89 WeakPolarHBondContact O-CD2 3.25Å; A87-Y89 PolarHBondContact O-N 3.49Å; Y89-T91 PolarHBondContact O-N 3.2Å; Y89-D221 CarbonylContact O-C 3.55Å; Y89-D221 WeakPolarHBondContact O-CA 3.41Å; Y89-D221 VanDerWaalsContact O-CB 3.25Å; Y89-D221 WeakPolarHBondContact O-CB 3.11Å; Y89-T222 HydrophobicContact CD2-CG2 4.49Å; Y89-T222 PolarHBondContact N-OG1 3.31Å; Y89-T222 PolarHBondContact O-N 3.39Å; Y89-V258 HydrophobicContact CD1-CG1 4.33Å; Y89-V366 HydrophobicContact CD2-CG1 4.43Å; Y89-L368 HydrophobicContact CD1-CD1 4.46Å; Y89-L368 HydrophobicContact CD1-CD2 4.15Å; Y89-L368 HydrophobicContact CD2-CD2 3.91Å; Y89-L368 HydrophobicContact CD2-CG 4.37Å; Y89-L368 HydrophobicContact CE1-CD1 3.76Å; Y89-L368 HydrophobicContact CE1-CD2 4.22Å; Y89-L368 HydrophobicContact CE1-CG 4.35Å; Y89-L368 HydrophobicContact CE2-CD1 4.08Å; Y89-L368 HydrophobicContact CE2-CD2 3.98Å; Y89-L368 HydrophobicContact CE2-CG 3.93Å; Y89-L368 HydrophobicContact CG-CD2 3.99Å; Y89-L368 WeakPolarHBondContact OH-CD1 3.34Å
90	P	93.3	Very high	89	Confident	59 Å²	59	54.9 Å²	54.9	38%	0.383	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-64.7	123.8	175.1	27.9	-34	0	0	0	109.5	K220 L259	P90-K220 CarbonylContact C-O 3.34Å; P90-K220 WeakPolarHBondContact CA-O 3.32Å; P90-L259 HydrophobicContact CB-CB 4.26Å; P90-L259 HydrophobicContact CB-CD1 4.49Å; P90-L259 HydrophobicContact CG-CB 4.24Å; P90-L259 PolarHBondContact O-N 2.79Å
91	T	90.5	Very high	88.9	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-96.5	154.6	-179.3	53.9	0	0	0	0	110.7	Y89 K220 D221 T222 L256 L259	Y89-T91 PolarHBondContact O-N 3.2Å; T91-K220 PolarHBondContact N-O 2.92Å; T91-K220 PolarHBondContact OG1-O 2.83Å; T91-D221 PolarHBondContact OG1-N 3.1Å; T91-T222 HydrophobicContact CG2-CG2 4.14Å; T91-L256 HydrophobicContact CG2-CB 4.03Å; T91-L256 HydrophobicContact CG2-CD1 3.96Å; T91-L259 WeakPolarHBondContact O-CD1 3.37Å
92	M	85.8	Confident	89	Confident	57 Å²	57	53.4 Å²	53.4	28%	0.281	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-58.7	131.1	170.8	-170.7	175.7	-63.8	0	0	110.3	V94 N96 L97 P257 L259	M92-V94 PolarHBondContact O-N 3.36Å; M92-N96 HydrophobicContact CG-CB 3.84Å; M92-N96 HydrophobicContact SD-CB 3.93Å; M92-L97 HydrophobicContact CB-CD2 4.15Å; M92-L97 HydrophobicContact CG-CD2 4.32Å; M92-L97 HydrophobicContact SD-CD2 4.23Å; M92-P257 HydrophobicContact CB-CG 3.78Å; M92-P257 HydrophobicContact CE-CB 4.44Å; M92-P257 HydrophobicContact CE-CG 4.12Å; M92-P257 PolarHBondContact N-O 3.29Å; M92-P257 HydrophobicContact SD-CG 4.26Å; M92-L259 HydrophobicContact CB-CD2 4.37Å
93	P	82.1	Confident	89.1	Confident	30 Å²	30	49.4 Å²	49.4	20%	0.195	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-60.4	140.7	-177.9	-25.3	34.6	0	0	0	112	Y95 N96	P93-Y95 HydrophobicContact CB-CD1 3.82Å; P93-Y95 HydrophobicContact CB-CE1 3.32Å; P93-Y95 HydrophobicContact CB-CE2 4.12Å; P93-Y95 HydrophobicContact CB-CG 4.4Å; P93-Y95 VanDerWaalsContact CB-CZ 3.49Å; P93-Y95 HydrophobicContact CG-CE1 4.2Å; P93-Y95 PolarHBondContact O-N 2.65Å; P93-N96 WeakPolarHBondContact O-CB 3.46Å; P93-N96 PolarHBondContact O-N 2.7Å
94	V	80.5	Confident	89.3	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.042	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.4	-175.1	179.5	0	0	0	0	114	M92 N96 L97 L209 K216 I219	M92-V94 PolarHBondContact O-N 3.36Å; V94-N96 VanDerWaalsContact C-N 3.33Å; V94-L97 PolarHBondContact O-N 2.84Å; V94-L209 HydrophobicContact CG1-CB 4.24Å; V94-L209 HydrophobicContact CG1-CD2 4.18Å; V94-L209 WeakPolarHBondContact CG1-O 3.33Å; V94-L209 HydrophobicContact CG2-CD2 4.01Å; V94-K216 HydrophobicContact CG1-CD 4.29Å; V94-I219 HydrophobicContact CG2-CB 3.86Å; V94-I219 HydrophobicContact CG2-CD1 3.88Å; V94-I219 HydrophobicContact CG2-CG1 3.82Å
95	Y	79.9	Confident	89.4	Confident	173 Å²	173	47.6 Å²	47.6	68%	0.678	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.5	177.8	59.6	-100	0	0	0	114.4	P93	P93-Y95 HydrophobicContact CB-CD1 3.82Å; P93-Y95 HydrophobicContact CB-CE1 3.32Å; P93-Y95 HydrophobicContact CB-CE2 4.12Å; P93-Y95 HydrophobicContact CB-CG 4.4Å; P93-Y95 VanDerWaalsContact CB-CZ 3.49Å; P93-Y95 HydrophobicContact CG-CE1 4.2Å; P93-Y95 PolarHBondContact O-N 2.65Å
96	N	84.5	Confident	89.5	Confident	96 Å²	96	42.4 Å²	42.4	51%	0.513	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-17.1	172.3	-75.3	-2.7	0	0	0	112.6	M92 P93 V94	M92-N96 HydrophobicContact CG-CB 3.84Å; M92-N96 HydrophobicContact SD-CB 3.93Å; P93-N96 WeakPolarHBondContact O-CB 3.46Å; P93-N96 PolarHBondContact O-N 2.7Å; V94-N96 VanDerWaalsContact C-N 3.33Å
97	L	86.6	Confident	89.6	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-68.2	147	179.3	-60.4	178.2	0	0	0	112.2	M92 V94 N99 D174 F210 L256 P257	M92-L97 HydrophobicContact CB-CD2 4.15Å; M92-L97 HydrophobicContact CG-CD2 4.32Å; M92-L97 HydrophobicContact SD-CD2 4.23Å; V94-L97 PolarHBondContact O-N 2.84Å; L97-N99 PolarHBondContact O-N 3.06Å; L97-D174 WeakPolarHBondContact CA-OD2 3.44Å; L97-F210 HydrophobicContact CB-CE1 4.27Å; L97-F210 HydrophobicContact CD1-CE1 4.41Å; L97-L256 HydrophobicContact CD1-CD2 3.82Å; L97-P257 HydrophobicContact CD2-CG 3.91Å
98	S	89.2	Confident	89.5	Confident	26 Å²	26	40.6 Å²	40.6	18%	0.182	21%	0.207	C	C	.	.			trans	-74.8	116.2	-176	-174.4	0	0	0	0	112.2	K100 R172 D174	S98-K100 PolarHBondContact O-N 3.42Å; S98-K100 VanDerWaalsContact O-N 3.15Å; S98-K100 PolarHBondContact OG-N 3.38Å; S98-R172 WeakPolarHBondContact O-CB 3.45Å; S98-R172 WeakPolarHBondContact O-CD 3.13Å; S98-D174 VanDerWaalsContact CB-OD2 3.29Å; S98-D174 WeakPolarHBondContact CB-OD2 3.06Å; S98-D174 VanDerWaalsContact N-CG 3.33Å; S98-D174 PolarHBondContact N-OD1 3.06Å; S98-D174 VanDerWaalsContact N-OD1 3.15Å; S98-D174 PolarHBondContact N-OD2 2.89Å
99	N	88.4	Confident	88.9	Confident	93 Å²	93	48.6 Å²	48.6	50%	0.497	24%	0.239	S	C	.	.			trans	-70.6	-4	172.1	-65.2	-61.2	0	0	0	113.5	L97 R172	L97-N99 PolarHBondContact O-N 3.06Å; N99-R172 VanDerWaalsContact C-NH1 3.26Å; N99-R172 PolarHBondContact O-NH1 2.86Å
100	K	91.1	Very high	87.7	Confident	144 Å²	144	55.2 Å²	55.2	63%	0.626	27%	0.269	S	S	*	.			trans	-79.6	122.1	177	-66.3	178.8	-178.5	175.8	0	110.2	S98 R172 H173	S98-K100 PolarHBondContact O-N 3.42Å; S98-K100 VanDerWaalsContact O-N 3.15Å; S98-K100 PolarHBondContact OG-N 3.38Å; K100-R172 WeakPolarHBondContact O-CA 3.27Å; K100-R172 WeakPolarHBondContact O-CB 3.06Å; K100-H173 WeakPolarHBondContact CB-CD2 3.49Å; K100-H173 PolarHBondContact O-CD2 2.89Å; K100-H173 PolarHBondContact O-N 3.21Å
101	V	92.9	Very high	86.5	Confident	35 Å²	35	52.5 Å²	52.5	21%	0.212	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.2	173.4	-179.5	0	0	0	0	108.4	A103 I136 A171 R172	V101-A103 WeakPolarHBondContact CG1-O 3.27Å; V101-I136 HydrophobicContact CG1-CD1 4.09Å; V101-A171 WeakPolarHBondContact CA-O 3.27Å; V101-A171 WeakPolarHBondContact CG1-O 3.48Å; V101-R172 HydrophobicContact CG2-CG 4.05Å
102	F	94.2	Very high	85.9	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.057	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-20.5	177.7	82.1	-100.8	0	0	0	113	I136 N138 K140 A171 R172 Y659 Y664	F102-I136 WeakPolarHBondContact O-CG2 3.48Å; F102-N138 HydrophobicContact CD2-CB 3.97Å; F102-N138 HydrophobicContact CE2-CB 4.07Å; F102-N138 WeakPolarHBondContact CE2-OD1 3.4Å; F102-K140 HydrophobicContact CE2-CB 3.91Å; F102-K140 HydrophobicContact CE2-CG 4.35Å; F102-K140 HydrophobicContact CZ-CB 4.05Å; F102-A171 HydrophobicContact CD1-CB 4.21Å; F102-A171 HydrophobicContact CE1-CB 3.58Å; F102-A171 HydrophobicContact CE2-CB 4.25Å; F102-A171 HydrophobicContact CZ-CB 3.61Å; F102-A171 PolarHBondContact N-O 3.17Å; F102-R172 WeakPolarHBondContact CD1-O 3.41Å; F102-R172 WeakPolarHBondContact CE1-O 3.48Å; F102-Y659 HydrophobicContact CZ-CE2 4.19Å; F102-Y664 HydrophobicContact CB-CD1 3.55Å; F102-Y664 HydrophobicContact CB-CE1 3.47Å; F102-Y664 VanDerWaalsContact CB-CE1 3.47Å; F102-Y664 HydrophobicContact CB-CG 4.43Å; F102-Y664 AromaticContact CD1-CD1 3.62Å; F102-Y664 HydrophobicContact CD1-CD1 3.62Å; F102-Y664 HydrophobicContact CD1-CE1 4.33Å; F102-Y664 AromaticContact CD1-CG 3.74Å; F102-Y664 HydrophobicContact CD1-CG 3.74Å; F102-Y664 AromaticContact CD2-CD1 3.91Å; F102-Y664 HydrophobicContact CD2-CD1 3.91Å; F102-Y664 HydrophobicContact CD2-CD2 4.13Å; F102-Y664 AromaticContact CD2-CE1 3.87Å; F102-Y664 HydrophobicContact CD2-CE1 3.87Å; F102-Y664 HydrophobicContact CD2-CE2 4.09Å; F102-Y664 HydrophobicContact CD2-CG 4.03Å; F102-Y664 AromaticContact CD2-CZ 3.97Å; F102-Y664 HydrophobicContact CE1-CD1 4.27Å; F102-Y664 HydrophobicContact CE1-CD2 4.47Å; F102-Y664 AromaticContact CE1-CG 3.9Å; F102-Y664 HydrophobicContact CE1-CG 3.9Å; F102-Y664 HydrophobicContact CE2-CD2 4.08Å; F102-Y664 HydrophobicContact CE2-CE2 4.28Å; F102-Y664 HydrophobicContact CE2-CG 4.2Å; F102-Y664 AromaticContact CG-CD1 3.42Å; F102-Y664 HydrophobicContact CG-CD1 3.42Å; F102-Y664 VanDerWaalsContact CG-CD1 3.42Å; F102-Y664 HydrophobicContact CG-CD2 4.38Å; F102-Y664 AromaticContact CG-CE1 3.65Å; F102-Y664 HydrophobicContact CG-CE1 3.65Å; F102-Y664 AromaticContact CG-CG 3.81Å; F102-Y664 HydrophobicContact CG-CG 3.81Å; F102-Y664 HydrophobicContact CZ-CD2 4.24Å; F102-Y664 HydrophobicContact CZ-CG 4.13Å
103	A	94.6	Very high	85.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.6	173.8	0	0	0	0	0	111.3	V101 I136 N138 A141 A171	V101-A103 WeakPolarHBondContact CG1-O 3.27Å; A103-I136 WeakPolarHBondContact CA-O 3.44Å; A103-N138 HydrophobicContact CB-CB 3.64Å; A103-A141 HydrophobicContact CB-CB 3.66Å; A103-A171 HydrophobicContact CB-CB 3.99Å; A103-A171 PolarHBondContact N-O 2.78Å; A103-A171 PolarHBondContact O-N 2.96Å
104	S	93.9	Very high	85.2	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.028	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	137.3	172	-162.2	0	0	0	0	111.7	T135 I136 V169 R170	S104-T135 CarbonylContact O-C 3.58Å; S104-T135 VanDerWaalsContact O-CA 3.28Å; S104-T135 WeakPolarHBondContact O-CA 3.41Å; S104-T135 WeakPolarHBondContact O-CG2 3.13Å; S104-I136 PolarHBondContact N-O 3.35Å; S104-I136 PolarHBondContact O-N 2.89Å; S104-V169 VanDerWaalsContact CA-O 3.25Å; S104-V169 WeakPolarHBondContact CA-O 3.39Å; S104-V169 PolarHBondContact OG-O 2.92Å; S104-R170 VanDerWaalsContact CB-NH1 3.3Å; S104-R170 WeakPolarHBondContact OG-CD 3.08Å; S104-R170 PolarHBondContact OG-NH1 3.05Å
105	S	92.7	Very high	85.3	Confident	19 Å²	19	53.4 Å²	53.4	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.4	169.7	-173.5	0	0	0	0	109.7	V168 V169	S105-V168 WeakPolarHBondContact O-CA 3.46Å; S105-V169 PolarHBondContact N-O 3.38Å; S105-V169 PolarHBondContact O-N 3.14Å
106	T	93.6	Very high	85.1	Confident	14 Å²	14	49.3 Å²	49.3	9%	0.086	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.4	170.1	58.5	0	0	0	0	108.3	G111 L112 F167 V168	T106-G111 WeakPolarHBondContact OG1-CA 3.08Å; T106-L112 HydrophobicContact CG2-CD1 3.82Å; T106-L112 HydrophobicContact CG2-CG 4.13Å; T106-F167 WeakPolarHBondContact CA-O 3.24Å; T106-V168 HydrophobicContact CG2-CB 3.93Å; T106-V168 HydrophobicContact CG2-CG2 3.58Å
107	G	90.3	Very high	85	Confident	2 Å²	2	53.4 Å²	53.4	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	177.5	179.8	0	0	0	0	0	113.3	A166 F167	G107-A166 WeakPolarHBondContact O-CA 3.36Å; G107-F167 PolarHBondContact N-O 3.39Å; G107-F167 VanDerWaalsContact N-O 3.14Å; G107-F167 PolarHBondContact O-N 2.8Å; G107-F167 VanDerWaalsContact O-N 3.1Å
108	P	89.9	Confident	84.9	Confident	8 Å²	8	57 Å²	57	5%	0.052	27%	0.271	C	S	.	.	S	Bend	cis	-72	156.5	0.8	26.8	-36.5	0	0	0	115.2	K110 G111 I163 D165	P108-K110 PolarHBondContact O-N 2.97Å; P108-K110 VanDerWaalsContact O-N 3.15Å; P108-G111 PolarHBondContact O-N 2.99Å; P108-G111 VanDerWaalsContact O-N 3.11Å; P108-I163 HydrophobicContact CB-CB 4.43Å; P108-I163 HydrophobicContact CB-CD1 4.26Å; P108-I163 HydrophobicContact CB-CG2 4.33Å; P108-I163 HydrophobicContact CG-CB 4.03Å; P108-I163 HydrophobicContact CG-CG2 3.93Å; P108-D165 WeakPolarHBondContact CD-O 2.89Å
109	K	80.9	Confident	83.9	Confident	201 Å²	201	58 Å²	58	87%	0.874	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-107	170.4	-61.2	177.3	-179	174.8	0	114.7	G111	K109-G111 PolarHBondContact O-N 3.46Å
110	K	67.1	Low	82.5	Confident	172 Å²	172	56.7 Å²	56.7	75%	0.748	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	11.2	-179	-72.5	-172.3	178.6	-176.7	0	112.3	P108 L113	P108-K110 PolarHBondContact O-N 2.97Å; P108-K110 VanDerWaalsContact O-N 3.15Å; K110-L113 HydrophobicContact CB-CD1 4.11Å; K110-L113 VanDerWaalsContact O-CB 3.32Å; K110-L113 WeakPolarHBondContact O-CB 3.17Å; K110-L113 WeakPolarHBondContact O-CD1 3.44Å; K110-L113 VanDerWaalsContact O-CG 3.26Å; K110-L113 WeakPolarHBondContact O-CG 3.44Å; K110-L113 PolarHBondContact O-N 3.4Å
111	G	68	Low	80.7	Confident	2 Å²	2	54.1 Å²	54.1	2%	0.021	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	52.8	-138.1	-179.4	0	0	0	0	0	112.3	T106 P108 K109 L113	T106-G111 WeakPolarHBondContact OG1-CA 3.08Å; P108-G111 PolarHBondContact O-N 2.99Å; P108-G111 VanDerWaalsContact O-N 3.11Å; K109-G111 PolarHBondContact O-N 3.46Å; G111-L113 PolarHBondContact O-N 2.84Å
112	L	77	Confident	78.5	Confident	11 Å²	11	62 Å²	62	6%	0.058	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-78.7	0.3	-171.1	-48.1	171.4	0	0	0	113.6	T106 A114 V115 I198 Y202	T106-L112 HydrophobicContact CG2-CD1 3.82Å; T106-L112 HydrophobicContact CG2-CG 4.13Å; L112-A114 PolarHBondContact O-N 3.28Å; L112-V115 PolarHBondContact O-N 2.96Å; L112-I198 HydrophobicContact CD1-CG2 3.86Å; L112-I198 HydrophobicContact CD2-CB 3.86Å; L112-I198 HydrophobicContact CD2-CG2 3.62Å; L112-I198 HydrophobicContact CG-CG2 4.29Å; L112-Y202 HydrophobicContact CD1-CG 4.44Å
113	L	75.8	Confident	76.2	Confident	75 Å²	75	67.7 Å²	67.7	39%	0.393	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-55.5	-24.8	179	-72.5	173.8	0	0	0	113.8	K110 G111 W133	K110-L113 HydrophobicContact CB-CD1 4.11Å; K110-L113 VanDerWaalsContact O-CB 3.32Å; K110-L113 WeakPolarHBondContact O-CB 3.17Å; K110-L113 WeakPolarHBondContact O-CD1 3.44Å; K110-L113 VanDerWaalsContact O-CG 3.26Å; K110-L113 WeakPolarHBondContact O-CG 3.44Å; K110-L113 PolarHBondContact O-N 3.4Å; G111-L113 PolarHBondContact O-N 2.84Å; L113-W133 HydrophobicContact CD2-CD2 3.58Å; L113-W133 VanDerWaalsContact CD2-CE2 3.47Å; L113-W133 HydrophobicContact CD2-CE3 3.62Å; L113-W133 HydrophobicContact CD2-CG 4.33Å; L113-W133 HydrophobicContact CD2-CH2 3.41Å; L113-W133 VanDerWaalsContact CD2-CH2 3.41Å; L113-W133 HydrophobicContact CD2-CZ2 3.43Å; L113-W133 VanDerWaalsContact CD2-CZ2 3.43Å; L113-W133 HydrophobicContact CD2-CZ3 3.51Å; L113-W133 HydrophobicContact CG-CD2 4.48Å; L113-W133 HydrophobicContact CG-CE3 4.42Å
114	A	77.2	Confident	73.6	Confident	28 Å²	28	72.8 Å²	72.8	23%	0.231	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-74.1	-34.7	178.9	0	0	0	0	0	113.1	L112 K116 K117 W118	L112-A114 PolarHBondContact O-N 3.28Å; A114-K116 PolarHBondContact O-N 2.97Å; A114-K117 WeakPolarHBondContact O-CB 3.17Å; A114-K117 PolarHBondContact O-N 3.06Å; A114-W118 HydrophobicContact CB-CH2 3.89Å; A114-W118 HydrophobicContact CB-CZ2 3.71Å
115	V	83	Confident	71.1	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.006	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-62.6	-42	-169.2	-174.2	0	0	0	0	111.7	L112 K117 W118 C119 R195	L112-V115 PolarHBondContact O-N 2.96Å; V115-K117 PolarHBondContact O-N 2.9Å; V115-W118 HydrophobicContact CB-CE3 4.26Å; V115-W118 HydrophobicContact CB-CZ3 4.49Å; V115-W118 HydrophobicContact CG1-CE3 4.37Å; V115-W118 HydrophobicContact CG2-CE3 4.17Å; V115-W118 HydrophobicContact CG2-CZ3 3.91Å; V115-W118 WeakPolarHBondContact O-CB 3.19Å; V115-W118 PolarHBondContact O-N 2.66Å; V115-C119 PolarHBondContact O-N 3.27Å; V115-C119 PolarHBondContact O-SG 2.8Å; V115-C119 VanDerWaalsContact O-SG 3.34Å; V115-R195 HydrophobicContact CG2-CB 3.72Å
116	K	76.8	Confident	68.7	Low	88 Å²	88	84.2 Å²	84.2	38%	0.383	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-56.2	-22	175.5	-70	-169.8	-179.9	164.9	0	115.1	A114 H129 W133	A114-K116 PolarHBondContact O-N 2.97Å; K116-H129 VanDerWaalsContact NZ-CB 3.31Å; K116-H129 PolarHBondContact NZ-O 3.43Å; K116-W133 HydrophobicContact CD-CH2 3.73Å; K116-W133 HydrophobicContact CD-CZ3 3.55Å; K116-W133 HydrophobicContact CG-CZ3 4.36Å
117	K	82.3	Confident	66.3	Low	182 Å²	182	89.7 Å²	89.7	79%	0.791	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-82.9	-18.7	176.1	-60.3	-171.5	177.2	-170.3	0	112.7	A114 V115	A114-K117 WeakPolarHBondContact O-CB 3.17Å; A114-K117 PolarHBondContact O-N 3.06Å; V115-K117 PolarHBondContact O-N 2.9Å
118	W	83.5	Confident	64.3	Low	80 Å²	80	92.6 Å²	92.6	30%	0.303	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-38.3	-178.1	-52.7	-33.9	0	0	0	112	A114 V115 G120 M191 K192 R195 V243	A114-W118 HydrophobicContact CB-CH2 3.89Å; A114-W118 HydrophobicContact CB-CZ2 3.71Å; V115-W118 HydrophobicContact CB-CE3 4.26Å; V115-W118 HydrophobicContact CB-CZ3 4.49Å; V115-W118 HydrophobicContact CG1-CE3 4.37Å; V115-W118 HydrophobicContact CG2-CE3 4.17Å; V115-W118 HydrophobicContact CG2-CZ3 3.91Å; V115-W118 WeakPolarHBondContact O-CB 3.19Å; V115-W118 PolarHBondContact O-N 2.66Å; W118-G120 PolarHBondContact O-N 3.04Å; W118-M191 HydrophobicContact CH2-CE 3.98Å; W118-M191 HydrophobicContact CZ2-CE 4Å; W118-K192 HydrophobicContact CD2-CG 4.16Å; W118-K192 HydrophobicContact CE3-CB 4.28Å; W118-K192 HydrophobicContact CE3-CG 3.91Å; W118-K192 HydrophobicContact CH2-CB 4.4Å; W118-K192 HydrophobicContact CH2-CG 3.86Å; W118-K192 HydrophobicContact CZ2-CG 4.09Å; W118-K192 HydrophobicContact CZ3-CB 4Å; W118-K192 HydrophobicContact CZ3-CG 3.78Å; W118-R195 HydrophobicContact CZ3-CB 4.18Å; W118-V243 HydrophobicContact CB-CG1 3.79Å; W118-V243 HydrophobicContact CD2-CG1 4.46Å; W118-V243 HydrophobicContact CE3-CG1 3.99Å; W118-V243 HydrophobicContact CG-CG1 4.44Å
119	C	68.2	Low	62.5	Low	47 Å²	47	94.9 Å²	94.9	32%	0.318	49%	0.492	S	S	.	.	S	Bend	trans	-66.7	-5.2	-174.9	-51.2	0	0	0	0	115.4	V115 S121	V115-C119 PolarHBondContact O-N 3.27Å; V115-C119 PolarHBondContact O-SG 2.8Å; V115-C119 VanDerWaalsContact O-SG 3.34Å; C119-S121 PolarHBondContact O-N 2.89Å; C119-S121 PolarHBondContact O-OG 3.3Å
120	G	59.2	Low	61	Low	65 Å²	65	89.4 Å²	89.4	67%	0.67	48%	0.479	S	S	*	.			trans	68.2	-20	170.7	0	0	0	0	0	117.3	W118 K122	W118-G120 PolarHBondContact O-N 3.04Å; G120-K122 PolarHBondContact O-N 2.87Å
121	S	53.8	Low	60.3	Low	90 Å²	90	87.3 Å²	87.3	63%	0.629	48%	0.476	S	S	*	.			trans	-63.9	122.9	-173.8	-58.7	0	0	0	0	112.7	C119 D123	C119-S121 PolarHBondContact O-N 2.89Å; C119-S121 PolarHBondContact O-OG 3.3Å; S121-D123 PolarHBondContact O-N 3.39Å
122	K	46.1	Very low	59.8	Low	200 Å²	200	90.9 Å²	90.9	87%	0.87	49%	0.489	S	S	*	.			trans	-81	7.6	170.3	-70.5	-175.6	177.6	177.1	0	113.2	G120 S124	G120-K122 PolarHBondContact O-N 2.87Å; K122-S124 VanDerWaalsContact C-N 3.31Å; K122-S124 PolarHBondContact O-N 2.66Å
123	D	46.8	Very low	59.4	Low	133 Å²	133	94.2 Å²	94.2	71%	0.711	50%	0.501	S	S	*	.			trans	-73.5	83.1	-175.6	-64.9	-42.4	0	0	0	111.9	S121 H125	S121-D123 PolarHBondContact O-N 3.39Å; D123-H125 PolarHBondContact O-N 3.19Å
124	S	39.2	Very low	59.5	Low	106 Å²	106	97.8 Å²	97.8	74%	0.741	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	20.1	178.5	57.3	0	0	0	0	114.7	K122	K122-S124 VanDerWaalsContact C-N 3.31Å; K122-S124 PolarHBondContact O-N 2.66Å
125	H	40.5	Very low	60	Low	154 Å²	154	100 Å²	100	71%	0.713	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-7	-167.1	-83.9	-67.1	0	0	0	116.3	D123 V127	D123-H125 PolarHBondContact O-N 3.19Å; H125-V127 PolarHBondContact O-N 3.3Å
126	N	43.4	Very low	60.4	Low	109 Å²	109	102.8 Å²	102.8	58%	0.583	54%	0.539	S	S	*	.			trans	-77	90.4	166.9	-86.1	-5.4	0	0	0	110.6	Y128 H129	N126-Y128 PolarHBondContact O-N 3.49Å; N126-H129 VanDerWaalsContact CB-CD2 3.42Å; N126-H129 WeakPolarHBondContact CB-CD2 3.47Å; N126-H129 WeakPolarHBondContact O-CB 3.41Å; N126-H129 PolarHBondContact O-N 3.35Å
127	V	42.4	Very low	61.1	Low	129 Å²	129	106.9 Å²	106.9	78%	0.782	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-54.5	-21.9	-178.4	179.3	0	0	0	0	113.5	H125 H129	H125-V127 PolarHBondContact O-N 3.3Å; V127-H129 PolarHBondContact O-N 2.97Å
128	Y	48.7	Very low	61.7	Low	63 Å²	63	99.1 Å²	99.1	25%	0.247	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-71	8.7	179.6	-64.5	-82.7	0	0	0	116	N126 Y132 H212	N126-Y128 PolarHBondContact O-N 3.49Å; Y128-Y132 VanDerWaalsContact C-CD2 3.49Å; Y128-Y132 HydrophobicContact CD1-CE1 4.37Å; Y128-Y132 HydrophobicContact CD1-CE2 4.35Å; Y128-Y132 AromaticContact CD1-CZ 3.82Å; Y128-Y132 WeakPolarHBondContact CD1-OH 3.46Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.17Å; Y128-Y132 WeakPolarHBondContact O-CE2 3.44Å; Y128-H212 WeakPolarHBondContact OH-CA 3.48Å; Y128-H212 VanDerWaalsContact OH-CB 3.23Å; Y128-H212 WeakPolarHBondContact OH-CB 3.04Å; Y128-H212 PolarHBondContact OH-CD2 3.16Å; Y128-H212 PolarHBondContact OH-N 3.5Å
129	H	53	Low	62.2	Low	56 Å²	56	97.4 Å²	97.4	26%	0.259	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-114.4	-7.6	-162.7	-83.8	-31.7	0	0	0	117	K116 N126 V127	K116-H129 VanDerWaalsContact NZ-CB 3.31Å; K116-H129 PolarHBondContact NZ-O 3.43Å; N126-H129 VanDerWaalsContact CB-CD2 3.42Å; N126-H129 WeakPolarHBondContact CB-CD2 3.47Å; N126-H129 WeakPolarHBondContact O-CB 3.41Å; N126-H129 PolarHBondContact O-N 3.35Å; V127-H129 PolarHBondContact O-N 2.97Å
130	S	49.4	Very low	63.4	Low	87 Å²	87	95.2 Å²	95.2	61%	0.608	51%	0.505	S	S	*	.	S	Bend	trans	-80.9	-46	-177.3	-173.4	0	0	0	0	114.1	W133	S130-W133 PolarHBondContact O-NE1 2.99Å; S130-W133 VanDerWaalsContact O-NE1 3.13Å
131	N	52	Low	65.2	Low	127 Å²	127	92.4 Å²	92.4	68%	0.679	48%	0.475	S	S	*	.	S	Bend	trans	-109	-6.1	-164.3	-64.5	-8.6	0	0	0	114.5
132	Y	58.3	Low	67.2	Low	77 Å²	77	90 Å²	90	30%	0.302	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-37.1	-158.6	-85.8	-102.4	0	0	0	113.9	Y128 K134 R170 Y202 E206	Y128-Y132 VanDerWaalsContact C-CD2 3.49Å; Y128-Y132 HydrophobicContact CD1-CE1 4.37Å; Y128-Y132 HydrophobicContact CD1-CE2 4.35Å; Y128-Y132 AromaticContact CD1-CZ 3.82Å; Y128-Y132 WeakPolarHBondContact CD1-OH 3.46Å; Y128-Y132 WeakPolarHBondContact O-CD2 3.17Å; Y128-Y132 WeakPolarHBondContact O-CE2 3.44Å; Y132-K134 PolarHBondContact O-N 3.29Å; Y132-R170 PolarHBondContact O-NH1 3.17Å; Y132-R170 PolarHBondContact O-NH2 2.71Å; Y132-Y202 VanDerWaalsContact C-OH 3.29Å; Y132-Y202 WeakPolarHBondContact CB-OH 3.23Å; Y132-Y202 PolarHBondContact O-OH 2.65Å; Y132-E206 WeakPolarHBondContact CD1-OE2 3.49Å
133	W	67.7	Low	69.6	Low	81 Å²	81	80.7 Å²	80.7	31%	0.307	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	10.6	178.8	51.1	33.3	0	0	0	115.8	L113 K116 S130 T135	L113-W133 HydrophobicContact CD2-CD2 3.58Å; L113-W133 VanDerWaalsContact CD2-CE2 3.47Å; L113-W133 HydrophobicContact CD2-CE3 3.62Å; L113-W133 HydrophobicContact CD2-CG 4.33Å; L113-W133 HydrophobicContact CD2-CH2 3.41Å; L113-W133 VanDerWaalsContact CD2-CH2 3.41Å; L113-W133 HydrophobicContact CD2-CZ2 3.43Å; L113-W133 VanDerWaalsContact CD2-CZ2 3.43Å; L113-W133 HydrophobicContact CD2-CZ3 3.51Å; L113-W133 HydrophobicContact CG-CD2 4.48Å; L113-W133 HydrophobicContact CG-CE3 4.42Å; K116-W133 HydrophobicContact CD-CH2 3.73Å; K116-W133 HydrophobicContact CD-CZ3 3.55Å; K116-W133 HydrophobicContact CG-CZ3 4.36Å; S130-W133 PolarHBondContact O-NE1 2.99Å; S130-W133 VanDerWaalsContact O-NE1 3.13Å; W133-T135 PolarHBondContact O-N 3.06Å
134	K	77.9	Confident	72	Confident	150 Å²	150	76.3 Å²	76.3	65%	0.652	39%	0.391	S	S	*	.			trans	-64.8	123.2	-178.7	-173.6	-177	176.8	-173.7	0	108.7	Y132 I136	Y132-K134 PolarHBondContact O-N 3.29Å; K134-I136 PolarHBondContact O-N 3.46Å
135	T	87.4	Confident	74.7	Confident	74 Å²	74	72 Å²	72	45%	0.454	36%	0.361	S	S	.	.			trans	-60.1	125.5	169.3	-49.9	0	0	0	0	108.9	S104 W133 E137	S104-T135 CarbonylContact O-C 3.58Å; S104-T135 VanDerWaalsContact O-CA 3.28Å; S104-T135 WeakPolarHBondContact O-CA 3.41Å; S104-T135 WeakPolarHBondContact O-CG2 3.13Å; W133-T135 PolarHBondContact O-N 3.06Å; T135-E137 HydrophobicContact CG2-CG 4.24Å
136	I	91.9	Very high	77.4	Confident	61 Å²	61	65.6 Å²	65.6	31%	0.313	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-122.7	105.2	173	-54.1	172.4	0	0	0	105	V101 F102 A103 S104 K134	V101-I136 HydrophobicContact CG1-CD1 4.09Å; F102-I136 WeakPolarHBondContact O-CG2 3.48Å; A103-I136 WeakPolarHBondContact CA-O 3.44Å; S104-I136 PolarHBondContact N-O 3.35Å; S104-I136 PolarHBondContact O-N 2.89Å; K134-I136 PolarHBondContact O-N 3.46Å
137	E	92	Very high	79.9	Confident	174 Å²	174	61 Å²	61	81%	0.813	31%	0.31	S	S	*	.			trans	-74.7	135.1	178.7	-63.4	-177.9	176.5	0	0	109.7	T135	T135-E137 HydrophobicContact CG2-CG 4.24Å
138	N	93.4	Very high	82.5	Confident	18 Å²	18	54.9 Å²	54.9	10%	0.096	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-153.7	147.2	171.8	-168.7	-77.3	0	0	0	108.4	F102 A103 K140 A141 Y664	F102-N138 HydrophobicContact CD2-CB 3.97Å; F102-N138 HydrophobicContact CE2-CB 4.07Å; F102-N138 WeakPolarHBondContact CE2-OD1 3.4Å; A103-N138 HydrophobicContact CB-CB 3.64Å; N138-K140 PolarHBondContact O-N 2.99Å; N138-K140 WeakPolarHBondContact OD1-CG 3.4Å; N138-K140 PolarHBondContact OD1-N 2.99Å; N138-A141 PolarHBondContact O-N 3.13Å; N138-A141 VanDerWaalsContact O-O 3.07Å; N138-Y664 PolarHBondContact ND2-OH 3.49Å
139	R	93.9	Very high	84.8	Confident	44 Å²	44	54 Å²	54	17%	0.166	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.6	-178	115.5	171	43.6	169.2	-0.6	114	A141 S578 E668 N669	R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 3.49Å; R139-S578 WeakPolarHBondContact O-CB 3.26Å; R139-S578 PolarHBondContact O-N 3.02Å; R139-S578 PolarHBondContact O-OG 2.87Å; R139-S578 VanDerWaalsContact O-OG 3.12Å; R139-E668 WeakPolarHBondContact CD-O 3.3Å; R139-E668 IonicContact CZ-OE1 3.51Å; R139-E668 PolarHBondContact NE-O 3.42Å; R139-E668 IonicContact NH2-OE1 3.62Å; R139-E668 PolarHBondContact NH2-OE1 3.06Å; R139-N669 PolarHBondContact NH1-OD1 2.84Å; R139-N669 PolarHBondContact NH2-ND2 2.84Å; R139-N669 PolarHBondContact NH2-OD1 3.48Å
140	K	94.4	Very high	86.7	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.5	-177.4	-55.5	-66.5	-176.9	178.5	0	114.3	F102 N138 S578 Y659 E660 E670 Y672	F102-K140 HydrophobicContact CE2-CB 3.91Å; F102-K140 HydrophobicContact CE2-CG 4.35Å; F102-K140 HydrophobicContact CZ-CB 4.05Å; N138-K140 PolarHBondContact O-N 2.99Å; N138-K140 WeakPolarHBondContact OD1-CG 3.4Å; N138-K140 PolarHBondContact OD1-N 2.99Å; K140-S578 PolarHBondContact O-OG 3.1Å; K140-Y659 CarbonylContact O-C 3.53Å; K140-Y659 WeakPolarHBondContact O-CA 3.47Å; K140-Y659 WeakPolarHBondContact O-CD2 3.43Å; K140-E660 HydrophobicContact CB-CB 4.38Å; K140-E660 HydrophobicContact CD-CB 4.02Å; K140-E660 HydrophobicContact CD-CG 4.3Å; K140-E660 WeakPolarHBondContact CD-OE2 3.49Å; K140-E660 WeakPolarHBondContact CE-OE2 3.4Å; K140-E660 IonicContact NZ-OE1 3.52Å; K140-E660 PolarHBondContact NZ-OE1 3.02Å; K140-E660 IonicContact NZ-OE2 2.7Å; K140-E660 PolarHBondContact NZ-OE2 2.93Å; K140-E660 PolarHBondContact O-N 3.47Å; K140-E670 WeakPolarHBondContact CE-O 3.15Å; K140-E670 PolarHBondContact NZ-O 3.4Å; K140-Y672 HydrophobicContact CD-CE2 4.23Å
141	A	96.2	Very high	88.8	Confident	6 Å²	6	53.1 Å²	53.1	5%	0.05	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	124.5	-177.6	0	0	0	0	0	112.1	A103 N138 R139 V169 A171 A658 Y659	A103-A141 HydrophobicContact CB-CB 3.66Å; N138-A141 PolarHBondContact O-N 3.13Å; N138-A141 VanDerWaalsContact O-O 3.07Å; R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 3.49Å; A141-V169 HydrophobicContact CB-CG2 3.86Å; A141-A171 HydrophobicContact CB-CB 4.19Å; A141-A658 WeakPolarHBondContact CA-O 3.44Å; A141-Y659 HydrophobicContact CB-CD2 4.04Å
142	H	96.6	Very high	90.4	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.181	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	159.7	178.3	-163	70.3	0	0	0	112.1	K579 V657 A658	H142-K579 HydrophobicContact CB-CB 3.99Å; H142-V657 CarbonylContact O-C 3.53Å; H142-V657 WeakPolarHBondContact O-CA 3.45Å; H142-V657 WeakPolarHBondContact O-CG1 3.41Å; H142-A658 PolarHBondContact N-O 3.23Å; H142-A658 PolarHBondContact O-N 3.29Å
143	G	96.9	Very high	91.7	Very high	5 Å²	5	49.6 Å²	49.6	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	146.8	169.3	0	0	0	0	0	111	F167 I656	G143-F167 VanDerWaalsContact C-CE2 3.47Å; G143-F167 WeakPolarHBondContact O-CZ 3.45Å; G143-I656 CarbonylContact C-O 3.58Å; G143-I656 WeakPolarHBondContact CA-O 3.32Å
144	I	96.7	Very high	92.5	Very high	41 Å²	41	53.4 Å²	53.4	21%	0.21	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.9	-175.8	-170.8	173	0	0	0	109.8	V146 C582 I586 T655 I656	I144-V146 HydrophobicContact CD1-CG1 3.98Å; I144-V146 HydrophobicContact CG1-CG1 3.98Å; I144-C582 HydrophobicContact CG2-CB 3.99Å; I144-I586 HydrophobicContact CG2-CD1 4.48Å; I144-I586 HydrophobicContact CG2-CG1 3.85Å; I144-T655 VanDerWaalsContact O-CA 3.29Å; I144-T655 WeakPolarHBondContact O-CA 3.39Å; I144-I656 HydrophobicContact CG2-CG2 3.62Å; I144-I656 PolarHBondContact N-O 3.43Å; I144-I656 PolarHBondContact O-N 2.89Å
145	S	97	Very high	93	Very high	16 Å²	16	50.3 Å²	50.3	11%	0.112	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130	169.2	-60.7	0	0	0	0	109.2	F167 A654 T655	S145-F167 WeakPolarHBondContact OG-CD1 3.28Å; S145-A654 CarbonylContact C-O 3.59Å; S145-A654 WeakPolarHBondContact CA-O 3.45Å; S145-T655 WeakPolarHBondContact CB-OG1 3.38Å; S145-T655 WeakPolarHBondContact OG-CG2 3.31Å; S145-T655 PolarHBondContact OG-OG1 3.41Å
146	V	96.6	Very high	93.1	Very high	19 Å²	19	49.2 Å²	49.2	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	176.2	178.2	-54	0	0	0	0	111.2	I144 L148 I586 Y590 A654	I144-V146 HydrophobicContact CD1-CG1 3.98Å; I144-V146 HydrophobicContact CG1-CG1 3.98Å; V146-L148 HydrophobicContact CG2-CD2 4.09Å; V146-I586 HydrophobicContact CG1-CG2 4.22Å; V146-I586 HydrophobicContact CG2-CD1 4.01Å; V146-I586 HydrophobicContact CG2-CG2 3.88Å; V146-Y590 WeakPolarHBondContact CB-OH 3.41Å; V146-Y590 HydrophobicContact CG2-CE2 4.18Å; V146-A654 HydrophobicContact CG2-CB 4.06Å; V146-A654 PolarHBondContact N-O 2.86Å; V146-A654 PolarHBondContact O-N 3.47Å
147	S	96.6	Very high	92.9	Very high	14 Å²	14	53.2 Å²	53.2	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.1	169.2	-174.7	0	0	0	0	108	Y149 Y590	S147-Y149 VanDerWaalsContact C-N 3.34Å; S147-Y590 WeakPolarHBondContact O-CE1 3.43Å; S147-Y590 PolarHBondContact O-OH 3.12Å
148	L	96.8	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.			trans	-88.1	-6.5	169	-50.9	-178.6	0	0	0	111.5	V146 G381 N385 A589 Y590 T593 R597 L651 D652 A654	V146-L148 HydrophobicContact CG2-CD2 4.09Å; L148-G381 WeakPolarHBondContact CD1-O 3.24Å; L148-N385 WeakPolarHBondContact CD1-ND2 3.29Å; L148-A589 HydrophobicContact CD1-CB 3.96Å; L148-A589 HydrophobicContact CD2-CB 4.39Å; L148-Y590 HydrophobicContact CD2-CD1 3.44Å; L148-Y590 VanDerWaalsContact CD2-CD1 3.44Å; L148-Y590 HydrophobicContact CD2-CE1 3.44Å; L148-Y590 VanDerWaalsContact CD2-CE1 3.44Å; L148-Y590 HydrophobicContact CD2-CG 4.05Å; L148-T593 HydrophobicContact CD1-CG2 4.37Å; L148-R597 VanDerWaalsContact O-CD 3.26Å; L148-R597 WeakPolarHBondContact O-CD 3.01Å; L148-L651 WeakPolarHBondContact O-CD2 3.35Å; L148-D652 WeakPolarHBondContact CA-O 3.37Å; L148-D652 WeakPolarHBondContact CB-O 3.39Å; L148-D652 PolarHBondContact N-O 2.7Å; L148-A654 HydrophobicContact CD1-CB 3.84Å; L148-A654 HydrophobicContact CD2-CB 4.17Å; L148-A654 HydrophobicContact CG-CB 3.77Å
149	Y	95.4	Very high	92.6	Very high	43 Å²	43	49 Å²	49	17%	0.169	26%	0.262	C	S	.	.	S	Bend	trans	-58.8	150.7	170.8	-69.6	-78.2	0	0	0	111.4	S147 N159 L651 D652 H653	S147-Y149 VanDerWaalsContact C-N 3.34Å; Y149-N159 VanDerWaalsContact CB-O 3.3Å; Y149-N159 WeakPolarHBondContact CB-O 3.46Å; Y149-L651 HydrophobicContact CD1-CB 4.28Å; Y149-L651 WeakPolarHBondContact CE1-O 3.3Å; Y149-D652 VanDerWaalsContact CE2-C 3.47Å; Y149-D652 VanDerWaalsContact CE2-CA 3.46Å; Y149-D652 WeakPolarHBondContact CE2-OD1 3.29Å; Y149-D652 PolarHBondContact OH-OD1 3.14Å; Y149-H653 AromaticContact CD2-NE2 3.92Å; Y149-H653 AromaticContact CE2-CE1 3.97Å
150	E	93.4	Very high	92.3	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.037	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-71.2	160.3	177.1	87.7	-75.8	-179.7	0	0	111.8	P158 N159 R597 L600 E601 R609	E150-P158 WeakPolarHBondContact O-CA 3.47Å; E150-N159 PolarHBondContact O-N 3.02Å; E150-N159 PolarHBondContact OE1-ND2 3.21Å; E150-R597 HydrophobicContact CB-CB 4.13Å; E150-R597 HydrophobicContact CB-CG 4.06Å; E150-L600 HydrophobicContact CB-CB 4.03Å; E150-L600 HydrophobicContact CB-CD1 4.38Å; E150-L600 HydrophobicContact CG-CB 3.61Å; E150-L600 HydrophobicContact CG-CD1 4.2Å; E150-E601 WeakPolarHBondContact CA-OE1 2.81Å; E150-E601 HydrophobicContact CB-CG 3.92Å; E150-E601 HydrophobicContact CG-CG 4.24Å; E150-R609 IonicContact OE1-CZ 3.89Å; E150-R609 IonicContact OE1-NH1 3.83Å; E150-R609 PolarHBondContact OE1-NH1 3.03Å; E150-R609 IonicContact OE1-NH2 2.66Å; E150-R609 PolarHBondContact OE1-NH2 2.87Å
151	K	92.8	Very high	91.9	Very high	117 Å²	117	49 Å²	49	51%	0.509	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-80.2	135	174.5	-66.6	170.3	-171.7	162.1	0	111.3	I153 K157 E601	K151-I153 PolarHBondContact O-N 3.47Å; K151-K157 WeakPolarHBondContact CA-O 3.41Å; K151-E601 HydrophobicContact CB-CG 4.5Å; K151-E601 PolarHBondContact N-OE1 3.34Å
152	N	86.7	Confident	91.8	Very high	48 Å²	48	50.6 Å²	50.6	26%	0.257	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-64.7	117.4	165.7	-175.2	-76.2	0	0	0	109.9	I154 T155 G156 K157 N159	N152-I154 PolarHBondContact O-N 3.23Å; N152-I154 VanDerWaalsContact O-N 3.16Å; N152-I154 PolarHBondContact OD1-N 3.35Å; N152-I154 VanDerWaalsContact OD1-N 3.15Å; N152-T155 WeakPolarHBondContact CB-OG1 3.32Å; N152-T155 PolarHBondContact O-N 3.15Å; N152-T155 PolarHBondContact OD1-N 3.32Å; N152-T155 PolarHBondContact OD1-OG1 3.23Å; N152-G156 WeakPolarHBondContact O-CA 3.41Å; N152-G156 PolarHBondContact O-N 2.86Å; N152-K157 WeakPolarHBondContact CB-O 3.29Å; N152-K157 PolarHBondContact N-O 3.31Å; N152-N159 WeakPolarHBondContact CB-OD1 3.01Å
153	I	86.2	Confident	91.7	Very high	83 Å²	83	50.1 Å²	50.1	43%	0.426	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.7	-174.5	-60.7	153.7	0	0	0	112.6	K151 E601 T606	K151-I153 PolarHBondContact O-N 3.47Å; I153-E601 VanDerWaalsContact CD1-O 3.26Å; I153-E601 WeakPolarHBondContact CD1-O 3.47Å; I153-E601 WeakPolarHBondContact CG1-O 3.27Å; I153-T606 HydrophobicContact CD1-CG2 3.42Å; I153-T606 VanDerWaalsContact CD1-CG2 3.42Å
154	I	84.5	Confident	91.7	Very high	160 Å²	160	49.9 Å²	49.9	82%	0.821	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-40.9	-177.6	-56.5	173.6	0	0	0	111.4	N152	N152-I154 PolarHBondContact O-N 3.23Å; N152-I154 VanDerWaalsContact O-N 3.16Å; N152-I154 PolarHBondContact OD1-N 3.35Å; N152-I154 VanDerWaalsContact OD1-N 3.15Å
155	T	88.6	Confident	91.7	Very high	85 Å²	85	47.9 Å²	47.9	52%	0.521	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-10.5	-171.9	68.4	0	0	0	0	114.6	N152 K157	N152-T155 WeakPolarHBondContact CB-OG1 3.32Å; N152-T155 PolarHBondContact O-N 3.15Å; N152-T155 PolarHBondContact OD1-N 3.32Å; N152-T155 PolarHBondContact OD1-OG1 3.23Å; T155-K157 PolarHBondContact O-N 3.49Å; T155-K157 VanDerWaalsContact O-N 3.09Å
156	G	88	Confident	91.7	Very high	51 Å²	51	47.1 Å²	47.1	53%	0.526	27%	0.267	S	S	.	.			trans	66.6	-0.8	-175.2	0	0	0	0	0	115.3	N152	N152-G156 WeakPolarHBondContact O-CA 3.41Å; N152-G156 PolarHBondContact O-N 2.86Å
157	K	88.6	Confident	91.8	Very high	146 Å²	146	46.5 Å²	46.5	64%	0.635	26%	0.262	S	S	*	.	S	Bend	trans	-88.5	146.8	-179	-67.7	173.1	-176.9	172.4	0	110.5	K151 N152 T155 N159	K151-K157 WeakPolarHBondContact CA-O 3.41Å; N152-K157 WeakPolarHBondContact CB-O 3.29Å; N152-K157 PolarHBondContact N-O 3.31Å; T155-K157 PolarHBondContact O-N 3.49Å; T155-K157 VanDerWaalsContact O-N 3.09Å; K157-N159 PolarHBondContact O-N 2.84Å
158	P	88.9	Confident	91.7	Very high	60 Å²	60	45.8 Å²	45.8	39%	0.39	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-54.2	138.5	166.7	-23	33.7	0	0	0	111	E150	E150-P158 WeakPolarHBondContact O-CA 3.47Å
159	N	89.7	Confident	91.7	Very high	42 Å²	42	45.8 Å²	45.8	23%	0.225	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	172	161.4	-71.4	-38.5	0	0	0	109.6	Y149 E150 N152 K157 G161	Y149-N159 VanDerWaalsContact CB-O 3.3Å; Y149-N159 WeakPolarHBondContact CB-O 3.46Å; E150-N159 PolarHBondContact O-N 3.02Å; E150-N159 PolarHBondContact OE1-ND2 3.21Å; N152-N159 WeakPolarHBondContact CB-OD1 3.01Å; K157-N159 PolarHBondContact O-N 2.84Å; N159-G161 PolarHBondContact O-N 2.94Å
160	G	86.9	Confident	91.7	Very high	5 Å²	5	44.3 Å²	44.3	5%	0.052	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-10.1	-173	0	0	0	0	0	115.2	W186 H653	G160-W186 WeakPolarHBondContact O-CB 3.37Å; G160-H653 PolarHBondContact O-CE1 2.88Å; G160-H653 VanDerWaalsContact O-CE1 3.24Å
161	G	87.2	Confident	91.8	Very high	41 Å²	41	44 Å²	44	42%	0.423	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-63.4	147.8	-175.5	0	0	0	0	0	114.8	N159	N159-G161 PolarHBondContact O-N 2.94Å
162	P	93.2	Very high	91.9	Very high	40 Å²	40	38.8 Å²	38.8	26%	0.26	23%	0.227	S	C	.	.	S	Bend	cis	-74.6	158.4	-1.4	32.5	-37.5	0	0	0	113.4	A164 M191	P162-A164 PolarHBondContact O-N 2.69Å; P162-A164 VanDerWaalsContact O-N 3.11Å; P162-M191 HydrophobicContact CB-CG 4.37Å; P162-M191 HydrophobicContact CB-SD 3.53Å; P162-M191 VanDerWaalsContact CB-SD 3.53Å; P162-M191 HydrophobicContact CG-CB 4Å; P162-M191 HydrophobicContact CG-CE 4.14Å; P162-M191 HydrophobicContact CG-CG 4.12Å; P162-M191 HydrophobicContact CG-SD 3.38Å; P162-M191 WeakPolarHBondContact CG-SD 3.37Å
163	I	95.3	Very high	92.2	Very high	28 Å²	28	38.6 Å²	38.6	14%	0.144	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-51.3	119.2	171.3	-62.4	174.2	0	0	0	109	P108 D165 M191 R195 H653	P108-I163 HydrophobicContact CB-CB 4.43Å; P108-I163 HydrophobicContact CB-CD1 4.26Å; P108-I163 HydrophobicContact CB-CG2 4.33Å; P108-I163 HydrophobicContact CG-CB 4.03Å; P108-I163 HydrophobicContact CG-CG2 3.93Å; I163-D165 HydrophobicContact CG2-CB 4.19Å; I163-M191 WeakPolarHBondContact O-CG 3.37Å; I163-R195 PolarHBondContact O-NH2 3Å; I163-H653 WeakPolarHBondContact CA-NE2 3.38Å; I163-H653 HydrophobicContact CG2-CB 4.3Å
164	A	95.8	Very high	92.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.21	C	C	.	.			trans	-78.9	-31.1	-174.4	0	0	0	0	0	111.8	P162 G183 A194 H653	P162-A164 PolarHBondContact O-N 2.69Å; P162-A164 VanDerWaalsContact O-N 3.11Å; A164-G183 WeakPolarHBondContact CB-O 3.41Å; A164-A194 WeakPolarHBondContact O-CB 3.23Å; A164-H653 PolarHBondContact N-ND1 2.78Å
165	D	97.5	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.			trans	-64.5	160.2	177.8	-44.7	19.5	0	0	0	112.7	P108 I163 A181 S379 H653 T655	P108-D165 WeakPolarHBondContact CD-O 2.89Å; I163-D165 HydrophobicContact CG2-CB 4.19Å; D165-A181 CarbonylContact C-O 3.57Å; D165-A181 VanDerWaalsContact CA-O 3.26Å; D165-A181 WeakPolarHBondContact CA-O 3.31Å; D165-S379 PolarHBondContact OD2-OG 3.36Å; D165-S379 VanDerWaalsContact OD2-OG 3.11Å; D165-H653 WeakPolarHBondContact OD1-CB 3.28Å; D165-H653 IonicContact OD1-CG 2.93Å; D165-T655 WeakPolarHBondContact CB-OG1 3.42Å; D165-T655 VanDerWaalsContact CG-OG1 3.24Å; D165-T655 WeakPolarHBondContact OD2-CB 3.46Å; D165-T655 PolarHBondContact OD2-N 3.33Å; D165-T655 PolarHBondContact OD2-OG1 3Å
166	A	97.1	Very high	93.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.7	163.3	0	0	0	0	0	111.3	G107 A181 A194 R195 I198	G107-A166 WeakPolarHBondContact O-CA 3.36Å; A166-A181 PolarHBondContact N-O 3.08Å; A166-A181 PolarHBondContact O-N 2.85Å; A166-A194 HydrophobicContact CB-CB 3.98Å; A166-R195 HydrophobicContact CB-CB 4.44Å; A166-R195 HydrophobicContact CB-CG 3.71Å; A166-I198 HydrophobicContact CB-CB 4.27Å; A166-I198 HydrophobicContact CB-CG1 3.69Å
167	F	97.6	Very high	93.8	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.022	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.9	171.9	72.5	-89.7	0	0	0	113.5	T106 G107 G143 S145 A179 V180 T655 V657	T106-F167 WeakPolarHBondContact CA-O 3.24Å; G107-F167 PolarHBondContact N-O 3.39Å; G107-F167 VanDerWaalsContact N-O 3.14Å; G107-F167 PolarHBondContact O-N 2.8Å; G107-F167 VanDerWaalsContact O-N 3.1Å; G143-F167 VanDerWaalsContact C-CE2 3.47Å; G143-F167 WeakPolarHBondContact O-CZ 3.45Å; S145-F167 WeakPolarHBondContact OG-CD1 3.28Å; F167-A179 CarbonylContact C-O 3.58Å; F167-A179 WeakPolarHBondContact CA-O 3.45Å; F167-A179 VanDerWaalsContact CB-O 3.32Å; F167-A179 WeakPolarHBondContact CB-O 3.4Å; F167-V180 HydrophobicContact CB-CG2 4.31Å; F167-T655 HydrophobicContact CB-CG2 3.86Å; F167-T655 HydrophobicContact CD1-CG2 3.87Å; F167-T655 HydrophobicContact CG-CG2 4.21Å; F167-V657 HydrophobicContact CB-CG2 3.53Å; F167-V657 HydrophobicContact CD2-CG2 3.81Å; F167-V657 HydrophobicContact CG-CG2 3.82Å
168	V	96.1	Very high	94.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.9	161.3	62.6	0	0	0	0	111.4	S105 T106 Y177 L178 A179 I198 Y202	S105-V168 WeakPolarHBondContact O-CA 3.46Å; T106-V168 HydrophobicContact CG2-CB 3.93Å; T106-V168 HydrophobicContact CG2-CG2 3.58Å; V168-Y177 HydrophobicContact CG1-CD2 4.36Å; V168-Y177 HydrophobicContact CG1-CE2 4.08Å; V168-Y177 HydrophobicContact CG2-CE2 4.25Å; V168-L178 CarbonylContact O-C 3.54Å; V168-L178 WeakPolarHBondContact O-CA 3.23Å; V168-A179 HydrophobicContact CG1-CB 3.95Å; V168-A179 PolarHBondContact N-O 2.8Å; V168-A179 PolarHBondContact O-N 3.5Å; V168-I198 HydrophobicContact CB-CG2 3.71Å; V168-I198 HydrophobicContact CG1-CG2 3.71Å; V168-Y202 HydrophobicContact CG2-CD2 3.88Å; V168-Y202 HydrophobicContact CG2-CE2 4.36Å
169	V	96.1	Very high	94.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.8	158.2	58.6	0	0	0	0	109.9	S104 S105 A141 L178 V657	S104-V169 VanDerWaalsContact CA-O 3.25Å; S104-V169 WeakPolarHBondContact CA-O 3.39Å; S104-V169 PolarHBondContact OG-O 2.92Å; S105-V169 PolarHBondContact N-O 3.38Å; S105-V169 PolarHBondContact O-N 3.14Å; A141-V169 HydrophobicContact CB-CG2 3.86Å; V169-L178 HydrophobicContact CG2-CG 4.15Å; V169-V657 HydrophobicContact CB-CG1 3.58Å; V169-V657 HydrophobicContact CG1-CG1 4.25Å; V169-V657 HydrophobicContact CG2-CG1 4.15Å
170	R	95	Very high	95.1	Very high	12 Å²	12	9.9 Å²	9.9	5%	0.045	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	107.9	177	-167.5	69.4	158.8	-174.1	-3.2	109	S104 Y132 A176 Y177 Y202 E206	S104-R170 VanDerWaalsContact CB-NH1 3.3Å; S104-R170 WeakPolarHBondContact OG-CD 3.08Å; S104-R170 PolarHBondContact OG-NH1 3.05Å; Y132-R170 PolarHBondContact O-NH1 3.17Å; Y132-R170 PolarHBondContact O-NH2 2.71Å; R170-A176 CarbonylContact O-C 3.57Å; R170-A176 WeakPolarHBondContact O-CA 3.41Å; R170-A176 WeakPolarHBondContact O-CB 3.17Å; R170-Y177 HydrophobicContact CB-CD1 4.04Å; R170-Y177 HydrophobicContact CB-CD2 4.15Å; R170-Y177 HydrophobicContact CB-CE1 3.58Å; R170-Y177 HydrophobicContact CB-CE2 3.68Å; R170-Y177 HydrophobicContact CB-CG 4.3Å; R170-Y177 HydrophobicContact CG-CD1 4.47Å; R170-Y177 HydrophobicContact CG-CE1 3.69Å; R170-Y177 HydrophobicContact CG-CE2 4.47Å; R170-Y177 PolarHBondContact N-O 3.2Å; R170-Y177 PolarHBondContact O-N 2.98Å; R170-Y202 PolarHBondContact NH2-OH 3.45Å; R170-E206 IonicContact CZ-OE2 2.71Å; R170-E206 IonicContact NE-OE1 2.71Å; R170-E206 IonicContact NE-OE2 3.67Å; R170-E206 IonicContact NH2-OE2 3.94Å; R170-E206 PolarHBondContact NH2-OE2 3.02Å
171	A	95.8	Very high	95.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.6	178.2	0	0	0	0	0	111.2	V101 F102 A103 A141 A176 Y659	V101-A171 WeakPolarHBondContact CA-O 3.27Å; V101-A171 WeakPolarHBondContact CG1-O 3.48Å; F102-A171 HydrophobicContact CD1-CB 4.21Å; F102-A171 HydrophobicContact CE1-CB 3.58Å; F102-A171 HydrophobicContact CE2-CB 4.25Å; F102-A171 HydrophobicContact CZ-CB 3.61Å; F102-A171 PolarHBondContact N-O 3.17Å; A103-A171 HydrophobicContact CB-CB 3.99Å; A103-A171 PolarHBondContact N-O 2.78Å; A103-A171 PolarHBondContact O-N 2.96Å; A141-A171 HydrophobicContact CB-CB 4.19Å; A171-A176 HydrophobicContact CB-CB 4.23Å; A171-Y659 HydrophobicContact CB-CD2 4.01Å; A171-Y659 HydrophobicContact CB-CE2 3.71Å
172	R	94.6	Very high	96.2	Very high	8 Å²	8	8.2 Å²	8.2	3%	0.03	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	170.8	175.7	-62.1	167	177.5	-75	-2.5	108.6	S98 N99 K100 V101 F102 D174 S175 E206 F210	S98-R172 WeakPolarHBondContact O-CB 3.45Å; S98-R172 WeakPolarHBondContact O-CD 3.13Å; N99-R172 VanDerWaalsContact C-NH1 3.26Å; N99-R172 PolarHBondContact O-NH1 2.86Å; K100-R172 WeakPolarHBondContact O-CA 3.27Å; K100-R172 WeakPolarHBondContact O-CB 3.06Å; V101-R172 HydrophobicContact CG2-CG 4.05Å; F102-R172 WeakPolarHBondContact CD1-O 3.41Å; F102-R172 WeakPolarHBondContact CE1-O 3.48Å; R172-D174 PolarHBondContact O-N 2.73Å; R172-S175 CarbonylContact C-O 3.59Å; R172-S175 WeakPolarHBondContact CA-O 3.2Å; R172-S175 VanDerWaalsContact CB-O 3.31Å; R172-S175 WeakPolarHBondContact CB-O 3.4Å; R172-S175 PolarHBondContact N-O 2.9Å; R172-E206 IonicContact CZ-OE1 3.17Å; R172-E206 IonicContact NE-OE1 2.71Å; R172-E206 IonicContact NH2-OE1 3.31Å; R172-E206 PolarHBondContact NH2-OE1 3.29Å; R172-E206 IonicContact NH2-OE2 3.53Å; R172-E206 PolarHBondContact NH2-OE2 2.85Å; R172-F210 VanDerWaalsContact CZ-CD2 3.49Å; R172-F210 VanDerWaalsContact NE-CZ 3.33Å
173	H	92.8	Very high	96.4	Very high	44 Å²	44	6.3 Å²	6.3	20%	0.204	3%	0.031	C	C	.	.	S	Bend	trans	-60.6	-20.1	-171.1	-75.7	-118.9	0	0	0	114.8	K100 V663 Y664	K100-H173 WeakPolarHBondContact CB-CD2 3.49Å; K100-H173 PolarHBondContact O-CD2 2.89Å; K100-H173 PolarHBondContact O-N 3.21Å; H173-V663 CarbonylContact O-C 3.47Å; H173-V663 VanDerWaalsContact O-CA 3.24Å; H173-V663 WeakPolarHBondContact O-CA 3.26Å; H173-Y664 AromaticContact CE1-CD1 3.92Å; H173-Y664 PolarHBondContact ND1-O 3.32Å; H173-Y664 PolarHBondContact O-N 3.37Å
174	D	91.9	Very high	96.3	Very high	21 Å²	21	6.6 Å²	6.6	11%	0.112	3%	0.034	C	C	.	.	S	Bend	trans	-140.9	4.7	-173.3	53.7	16.3	0	0	0	113.5	L97 S98 R172 P257 F282	L97-D174 WeakPolarHBondContact CA-OD2 3.44Å; S98-D174 VanDerWaalsContact CB-OD2 3.29Å; S98-D174 WeakPolarHBondContact CB-OD2 3.06Å; S98-D174 VanDerWaalsContact N-CG 3.33Å; S98-D174 PolarHBondContact N-OD1 3.06Å; S98-D174 VanDerWaalsContact N-OD1 3.15Å; S98-D174 PolarHBondContact N-OD2 2.89Å; R172-D174 PolarHBondContact O-N 2.73Å; D174-P257 VanDerWaalsContact O-CD 3.32Å; D174-P257 WeakPolarHBondContact O-CD 3.27Å; D174-F282 WeakPolarHBondContact O-CE1 3.14Å
175	S	95	Very high	96.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.007	7%	0.066	C	C	.	.			trans	-160.5	151.2	-169.2	48.2	0	0	0	0	110.3	R172 I255	R172-S175 CarbonylContact C-O 3.59Å; R172-S175 WeakPolarHBondContact CA-O 3.2Å; R172-S175 VanDerWaalsContact CB-O 3.31Å; R172-S175 WeakPolarHBondContact CB-O 3.4Å; R172-S175 PolarHBondContact N-O 2.9Å; S175-I255 WeakPolarHBondContact CA-O 3.4Å
176	A	97	Very high	95.8	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.017	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	159.3	177	0	0	0	0	0	111.5	R170 A171 I255 Y659	R170-A176 CarbonylContact O-C 3.57Å; R170-A176 WeakPolarHBondContact O-CA 3.41Å; R170-A176 WeakPolarHBondContact O-CB 3.17Å; A171-A176 HydrophobicContact CB-CB 4.23Å; A176-I255 HydrophobicContact CB-CB 4.4Å; A176-I255 HydrophobicContact CB-CD1 4.36Å; A176-I255 PolarHBondContact N-O 2.97Å; A176-I255 PolarHBondContact O-N 3.07Å; A176-Y659 HydrophobicContact CB-CD1 3.74Å; A176-Y659 HydrophobicContact CB-CD2 4.31Å; A176-Y659 HydrophobicContact CB-CE1 3.44Å; A176-Y659 VanDerWaalsContact CB-CE1 3.44Å; A176-Y659 HydrophobicContact CB-CE2 4.08Å; A176-Y659 HydrophobicContact CB-CG 4.17Å
177	Y	97.6	Very high	95.6	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.9	160	63.9	-95.1	0	0	0	111.7	V168 R170 Y202 L205 E206 A253	V168-Y177 HydrophobicContact CG1-CD2 4.36Å; V168-Y177 HydrophobicContact CG1-CE2 4.08Å; V168-Y177 HydrophobicContact CG2-CE2 4.25Å; R170-Y177 HydrophobicContact CB-CD1 4.04Å; R170-Y177 HydrophobicContact CB-CD2 4.15Å; R170-Y177 HydrophobicContact CB-CE1 3.58Å; R170-Y177 HydrophobicContact CB-CE2 3.68Å; R170-Y177 HydrophobicContact CB-CG 4.3Å; R170-Y177 HydrophobicContact CG-CD1 4.47Å; R170-Y177 HydrophobicContact CG-CE1 3.69Å; R170-Y177 HydrophobicContact CG-CE2 4.47Å; R170-Y177 PolarHBondContact N-O 3.2Å; R170-Y177 PolarHBondContact O-N 2.98Å; Y177-Y202 HydrophobicContact CE2-CD2 4.23Å; Y177-Y202 WeakPolarHBondContact OH-CD2 3.33Å; Y177-Y202 WeakPolarHBondContact OH-CE2 3.35Å; Y177-L205 HydrophobicContact CD1-CB 4.44Å; Y177-L205 HydrophobicContact CD1-CD1 4.16Å; Y177-L205 HydrophobicContact CD2-CD1 3.9Å; Y177-L205 HydrophobicContact CE1-CB 4.28Å; Y177-L205 HydrophobicContact CE2-CD1 4.42Å; Y177-L205 HydrophobicContact CG-CD1 3.77Å; Y177-E206 WeakPolarHBondContact CE1-OE1 3.36Å; Y177-E206 WeakPolarHBondContact OH-CG 3.44Å; Y177-E206 PolarHBondContact OH-OE1 3.35Å; Y177-A253 CarbonylContact C-O 3.59Å; Y177-A253 WeakPolarHBondContact CA-O 3.47Å; Y177-A253 WeakPolarHBondContact CB-O 3.36Å
178	L	98.2	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.3	178.2	-64.1	79.1	0	0	0	107.1	V168 V169 V252 A253 I255 V375 I377 V657 Y659	V168-L178 CarbonylContact O-C 3.54Å; V168-L178 WeakPolarHBondContact O-CA 3.23Å; V169-L178 HydrophobicContact CG2-CG 4.15Å; L178-V252 CarbonylContact O-C 3.59Å; L178-V252 WeakPolarHBondContact O-CA 3.17Å; L178-A253 PolarHBondContact N-O 3.17Å; L178-A253 PolarHBondContact O-N 3.49Å; L178-I255 HydrophobicContact CD1-CD1 3.47Å; L178-I255 VanDerWaalsContact CD1-CD1 3.47Å; L178-V375 HydrophobicContact CD2-CG1 4.44Å; L178-I377 HydrophobicContact CB-CD1 3.73Å; L178-I377 HydrophobicContact CB-CG1 4.41Å; L178-V657 HydrophobicContact CB-CG1 4.14Å; L178-V657 HydrophobicContact CD2-CB 4.12Å; L178-V657 HydrophobicContact CD2-CG1 3.62Å; L178-V657 HydrophobicContact CG-CG1 3.92Å; L178-Y659 HydrophobicContact CD1-CD1 4.25Å; L178-Y659 HydrophobicContact CD1-CG 4.28Å
179	A	98.4	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.1	168.2	0	0	0	0	0	111.7	F167 V168 I198 I201 C251 V252	F167-A179 CarbonylContact C-O 3.58Å; F167-A179 WeakPolarHBondContact CA-O 3.45Å; F167-A179 VanDerWaalsContact CB-O 3.32Å; F167-A179 WeakPolarHBondContact CB-O 3.4Å; V168-A179 HydrophobicContact CG1-CB 3.95Å; V168-A179 PolarHBondContact N-O 2.8Å; V168-A179 PolarHBondContact O-N 3.5Å; A179-I198 HydrophobicContact CB-CD1 3.57Å; A179-I201 HydrophobicContact CB-CG2 4.34Å; A179-C251 CarbonylContact C-O 3.58Å; A179-C251 VanDerWaalsContact CA-O 3.23Å; A179-C251 WeakPolarHBondContact CA-O 3.31Å; A179-V252 HydrophobicContact CB-CB 4.32Å; A179-V252 HydrophobicContact CB-CG1 4.28Å; A179-V252 HydrophobicContact CB-CG2 3.77Å
180	V	98.5	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.4	169.8	178.9	0	0	0	0	107.8	F167 C251 I377 T655 V657	F167-V180 HydrophobicContact CB-CG2 4.31Å; V180-C251 PolarHBondContact N-O 3.28Å; V180-C251 PolarHBondContact O-N 3.48Å; V180-I377 HydrophobicContact CB-CG2 3.81Å; V180-I377 HydrophobicContact CG2-CB 3.88Å; V180-I377 HydrophobicContact CG2-CG2 3.64Å; V180-T655 HydrophobicContact CG1-CG2 3.8Å; V180-T655 HydrophobicContact CG2-CG2 4.06Å; V180-V657 HydrophobicContact CG2-CB 4.4Å; V180-V657 HydrophobicContact CG2-CG2 3.56Å
181	A	98.3	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126	173	0	0	0	0	0	107.9	D165 A166 A194 A197 I198 T249 L250	D165-A181 CarbonylContact C-O 3.57Å; D165-A181 VanDerWaalsContact CA-O 3.26Å; D165-A181 WeakPolarHBondContact CA-O 3.31Å; A166-A181 PolarHBondContact N-O 3.08Å; A166-A181 PolarHBondContact O-N 2.85Å; A181-A194 HydrophobicContact CB-CB 3.91Å; A181-A197 HydrophobicContact CB-CB 4.15Å; A181-I198 HydrophobicContact CB-CD1 3.9Å; A181-I198 HydrophobicContact CB-CG1 3.82Å; A181-T249 VanDerWaalsContact CA-O 3.31Å; A181-T249 WeakPolarHBondContact CA-O 3.32Å; A181-T249 WeakPolarHBondContact CB-O 3.42Å; A181-L250 HydrophobicContact CB-CD1 3.98Å
182	D	97.8	Very high	95.4	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.059	15%	0.152	C	C	.	.			trans	-103.5	124	175.9	-160	-43.2	0	0	0	110.1	V184 T248 T249 S379	D182-V184 PolarHBondContact O-N 2.84Å; D182-T248 VanDerWaalsContact C-OG1 3.32Å; D182-T248 CarbonylContact O-C 3.58Å; D182-T248 WeakPolarHBondContact O-CA 3.23Å; D182-T248 WeakPolarHBondContact O-CB 3.24Å; D182-T248 PolarHBondContact O-OG1 2.87Å; D182-T249 HydrophobicContact CB-CG2 4.4Å; D182-T249 WeakPolarHBondContact CB-OG1 3.46Å; D182-T249 PolarHBondContact N-OG1 3.3Å; D182-T249 PolarHBondContact O-N 3.19Å; D182-T249 PolarHBondContact O-OG1 3.05Å; D182-S379 WeakPolarHBondContact OD2-CB 3.26Å
183	G	97.3	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.			trans	-83.4	108.1	-177.9	0	0	0	0	0	111	A164 N185 S190 L247	A164-G183 WeakPolarHBondContact CB-O 3.41Å; G183-N185 CarbonylContact O-C 3.5Å; G183-N185 PolarHBondContact O-N 2.81Å; G183-S190 WeakPolarHBondContact O-CB 3.18Å; G183-L247 CarbonylContact C-O 3.56Å; G183-L247 WeakPolarHBondContact CA-O 3.44Å
184	V	94.9	Very high	95.7	Very high	34 Å²	34	28.4 Å²	28.4	21%	0.206	14%	0.141	C	C	.	.	S	Bend	trans	-48	126.6	-175.4	-171	0	0	0	0	112	D182 S190 L247 T344 A347	D182-V184 PolarHBondContact O-N 2.84Å; V184-S190 WeakPolarHBondContact O-CB 3.38Å; V184-S190 PolarHBondContact O-OG 2.89Å; V184-L247 HydrophobicContact CB-CB 4.08Å; V184-L247 HydrophobicContact CG2-CB 3.85Å; V184-L247 PolarHBondContact N-O 2.86Å; V184-T344 HydrophobicContact CG2-CG2 4.4Å; V184-A347 HydrophobicContact CG2-CB 4.1Å
185	N	91.4	Very high	95.9	Very high	128 Å²	128	28.8 Å²	28.8	68%	0.684	14%	0.141	S	C	*	.	S	Bend	trans	66.1	-132.1	-165.2	-52.1	-84.7	0	0	0	112.7	G183	G183-N185 CarbonylContact O-C 3.5Å; G183-N185 PolarHBondContact O-N 2.81Å
186	W	90.6	Very high	95.8	Very high	149 Å²	149	28.8 Å²	28.8	56%	0.564	14%	0.141	S	C	*	.	S	Bend	trans	-157.1	167.6	179.7	59.6	-89.7	0	0	0	110.9	G160	G160-W186 WeakPolarHBondContact O-CB 3.37Å
187	G	93.3	Very high	95.8	Very high	12 Å²	12	28.7 Å²	28.7	12%	0.124	14%	0.14	C	C	.	.	S	Bend	trans	109.4	-169.7	-179.2	0	0	0	0	0	113.6	M191	G187-M191 VanDerWaalsContact O-CB 3.22Å; G187-M191 WeakPolarHBondContact O-CB 3.31Å; G187-M191 PolarHBondContact O-N 3.3Å; G187-M191 VanDerWaalsContact O-N 3.12Å
188	N	94.2	Very high	95.7	Very high	101 Å²	101	28.6 Å²	28.6	54%	0.54	14%	0.14	S	C	.	.	H	α-helix	trans	-69.1	-38.6	-169.3	-72.5	-51.6	0	0	0	113.9	K192	N188-K192 VanDerWaalsContact O-CG 3.28Å; N188-K192 WeakPolarHBondContact O-CG 3.49Å; N188-K192 PolarHBondContact O-N 3.01Å
189	E	95.6	Very high	95.5	Very high	64 Å²	64	29.4 Å²	29.4	30%	0.299	15%	0.146	S	C	.	.	H	α-helix	trans	-73.9	-42.6	-175.9	-60.1	-47.4	104	0	0	111.7	K192 A193 T244	E189-K192 WeakPolarHBondContact O-CB 3.32Å; E189-K192 PolarHBondContact O-N 3.38Å; E189-K192 VanDerWaalsContact OE1-CE 3.29Å; E189-K192 WeakPolarHBondContact OE1-CE 3.37Å; E189-K192 IonicContact OE1-NZ 2.91Å; E189-K192 PolarHBondContact OE1-NZ 2.89Å; E189-K192 IonicContact OE2-NZ 3.21Å; E189-K192 PolarHBondContact OE2-NZ 3.22Å; E189-A193 PolarHBondContact O-N 3.08Å; E189-T244 WeakPolarHBondContact CA-OG1 3.49Å; E189-T244 WeakPolarHBondContact CB-OG1 3.45Å; E189-T244 PolarHBondContact O-OG1 3.13Å; E189-T244 PolarHBondContact OE2-OG1 2.92Å; E189-T244 VanDerWaalsContact OE2-OG1 3.06Å
190	S	95.8	Very high	95.3	Very high	11 Å²	11	29.4 Å²	29.4	8%	0.077	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-46.1	173	-45.3	0	0	0	0	111.7	G183 V184 K192 A193 A194	G183-S190 WeakPolarHBondContact O-CB 3.18Å; V184-S190 WeakPolarHBondContact O-CB 3.38Å; V184-S190 PolarHBondContact O-OG 2.89Å; S190-K192 VanDerWaalsContact C-N 3.32Å; S190-K192 PolarHBondContact O-N 3.07Å; S190-A193 WeakPolarHBondContact O-CB 3.34Å; S190-A193 PolarHBondContact O-N 2.73Å; S190-A193 VanDerWaalsContact O-N 3.09Å; S190-A194 PolarHBondContact O-N 3.16Å; S190-A194 VanDerWaalsContact O-N 3.09Å
191	M	95.2	Very high	95.2	Very high	15 Å²	15	29.4 Å²	29.4	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-40	172.3	176.3	-156.5	62.4	0	0	113	W118 P162 I163 G187 R195	W118-M191 HydrophobicContact CH2-CE 3.98Å; W118-M191 HydrophobicContact CZ2-CE 4Å; P162-M191 HydrophobicContact CB-CG 4.37Å; P162-M191 HydrophobicContact CB-SD 3.53Å; P162-M191 VanDerWaalsContact CB-SD 3.53Å; P162-M191 HydrophobicContact CG-CB 4Å; P162-M191 HydrophobicContact CG-CE 4.14Å; P162-M191 HydrophobicContact CG-CG 4.12Å; P162-M191 HydrophobicContact CG-SD 3.38Å; P162-M191 WeakPolarHBondContact CG-SD 3.37Å; I163-M191 WeakPolarHBondContact O-CG 3.37Å; G187-M191 VanDerWaalsContact O-CB 3.22Å; G187-M191 WeakPolarHBondContact O-CB 3.31Å; G187-M191 PolarHBondContact O-N 3.3Å; G187-M191 VanDerWaalsContact O-N 3.12Å; M191-R195 WeakPolarHBondContact O-CB 3.3Å; M191-R195 WeakPolarHBondContact O-CG 3.48Å; M191-R195 PolarHBondContact O-N 3.27Å; M191-R195 PolarHBondContact SD-NH1 3.42Å; M191-R195 PolarHBondContact SD-NH2 3.33Å
192	K	95	Very high	94.9	Very high	46 Å²	46	30.2 Å²	30.2	20%	0.2	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-44.4	175.1	-75.3	169.9	-174.1	171.7	0	110.3	W118 N188 E189 S190 R195 S196 V243 T244	W118-K192 HydrophobicContact CD2-CG 4.16Å; W118-K192 HydrophobicContact CE3-CB 4.28Å; W118-K192 HydrophobicContact CE3-CG 3.91Å; W118-K192 HydrophobicContact CH2-CB 4.4Å; W118-K192 HydrophobicContact CH2-CG 3.86Å; W118-K192 HydrophobicContact CZ2-CG 4.09Å; W118-K192 HydrophobicContact CZ3-CB 4Å; W118-K192 HydrophobicContact CZ3-CG 3.78Å; N188-K192 VanDerWaalsContact O-CG 3.28Å; N188-K192 WeakPolarHBondContact O-CG 3.49Å; N188-K192 PolarHBondContact O-N 3.01Å; E189-K192 WeakPolarHBondContact O-CB 3.32Å; E189-K192 PolarHBondContact O-N 3.38Å; E189-K192 VanDerWaalsContact OE1-CE 3.29Å; E189-K192 WeakPolarHBondContact OE1-CE 3.37Å; E189-K192 IonicContact OE1-NZ 2.91Å; E189-K192 PolarHBondContact OE1-NZ 2.89Å; E189-K192 IonicContact OE2-NZ 3.21Å; E189-K192 PolarHBondContact OE2-NZ 3.22Å; S190-K192 VanDerWaalsContact C-N 3.32Å; S190-K192 PolarHBondContact O-N 3.07Å; K192-R195 PolarHBondContact O-N 3.29Å; K192-S196 WeakPolarHBondContact O-CB 3.48Å; K192-S196 PolarHBondContact O-N 3.21Å; K192-S196 PolarHBondContact O-OG 3.24Å; K192-V243 HydrophobicContact CB-CG1 4.39Å; K192-T244 HydrophobicContact CB-CG2 3.97Å
193	A	96.5	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-54.7	-175.8	0	0	0	0	0	111.2	E189 S190 R195 S196 A197 I240 T244 G246 T248	E189-A193 PolarHBondContact O-N 3.08Å; S190-A193 WeakPolarHBondContact O-CB 3.34Å; S190-A193 PolarHBondContact O-N 2.73Å; S190-A193 VanDerWaalsContact O-N 3.09Å; A193-R195 VanDerWaalsContact C-N 3.31Å; A193-R195 PolarHBondContact O-N 3.01Å; A193-S196 PolarHBondContact O-N 3.39Å; A193-A197 PolarHBondContact O-N 2.99Å; A193-I240 HydrophobicContact CB-CG2 3.95Å; A193-T244 HydrophobicContact CB-CG2 3.86Å; A193-G246 WeakPolarHBondContact CB-O 3.34Å; A193-T248 HydrophobicContact CB-CG2 3.97Å
194	A	97	Very high	94.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.5	-41.8	178.4	0	0	0	0	0	112.6	A164 A166 A181 S190 A197 I198 T248	A164-A194 WeakPolarHBondContact O-CB 3.23Å; A166-A194 HydrophobicContact CB-CB 3.98Å; A181-A194 HydrophobicContact CB-CB 3.91Å; S190-A194 PolarHBondContact O-N 3.16Å; S190-A194 VanDerWaalsContact O-N 3.09Å; A194-A197 WeakPolarHBondContact O-CB 3.38Å; A194-A197 PolarHBondContact O-N 3.38Å; A194-I198 WeakPolarHBondContact O-CG1 3.37Å; A194-I198 PolarHBondContact O-N 3.18Å; A194-T248 VanDerWaalsContact CA-OG1 3.3Å; A194-T248 WeakPolarHBondContact CA-OG1 3.23Å; A194-T248 WeakPolarHBondContact CB-OG1 3.44Å
195	R	95.3	Very high	94.3	Very high	30 Å²	30	30.1 Å²	30.1	11%	0.113	15%	0.147	C	C	.	.	H	α-helix	trans	-70.7	-36.5	178.7	-70	-174.5	-167.7	152.7	17.8	113.2	V115 W118 I163 A166 M191 K192 A193 S199	V115-R195 HydrophobicContact CG2-CB 3.72Å; W118-R195 HydrophobicContact CZ3-CB 4.18Å; I163-R195 PolarHBondContact O-NH2 3Å; A166-R195 HydrophobicContact CB-CB 4.44Å; A166-R195 HydrophobicContact CB-CG 3.71Å; M191-R195 WeakPolarHBondContact O-CB 3.3Å; M191-R195 WeakPolarHBondContact O-CG 3.48Å; M191-R195 PolarHBondContact O-N 3.27Å; M191-R195 PolarHBondContact SD-NH1 3.42Å; M191-R195 PolarHBondContact SD-NH2 3.33Å; K192-R195 PolarHBondContact O-N 3.29Å; A193-R195 VanDerWaalsContact C-N 3.31Å; A193-R195 PolarHBondContact O-N 3.01Å; R195-S199 WeakPolarHBondContact O-CB 3.38Å; R195-S199 PolarHBondContact O-N 3.03Å
196	S	94.6	Very high	94.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-42.3	170.7	-74.1	0	0	0	0	110.9	K192 A193 I198 S199 A200 V243	K192-S196 WeakPolarHBondContact O-CB 3.48Å; K192-S196 PolarHBondContact O-N 3.21Å; K192-S196 PolarHBondContact O-OG 3.24Å; A193-S196 PolarHBondContact O-N 3.39Å; S196-I198 PolarHBondContact O-N 2.95Å; S196-S199 WeakPolarHBondContact O-CB 3.47Å; S196-S199 PolarHBondContact O-N 3.08Å; S196-A200 VanDerWaalsContact O-CB 3.29Å; S196-A200 WeakPolarHBondContact O-CB 3.23Å; S196-A200 PolarHBondContact O-N 2.95Å; S196-V243 WeakPolarHBondContact OG-CG1 3.14Å
197	A	96.6	Very high	94.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.8	-51.1	175.6	0	0	0	0	0	111.8	A181 A193 A194 S199 A200 I201 I240 T248 L250	A181-A197 HydrophobicContact CB-CB 4.15Å; A193-A197 PolarHBondContact O-N 2.99Å; A194-A197 WeakPolarHBondContact O-CB 3.38Å; A194-A197 PolarHBondContact O-N 3.38Å; A197-S199 PolarHBondContact O-N 3.12Å; A197-A200 PolarHBondContact O-N 3.29Å; A197-I201 WeakPolarHBondContact O-CG1 3.32Å; A197-I201 PolarHBondContact O-N 3.19Å; A197-I240 HydrophobicContact CB-CD1 3.91Å; A197-I240 HydrophobicContact CB-CG1 4.32Å; A197-T248 HydrophobicContact CB-CG2 3.92Å; A197-L250 HydrophobicContact CB-CD1 4.26Å
198	I	96.2	Very high	93.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.3	-35.1	179.1	-61.7	-64.8	0	0	0	112	L112 A166 V168 A179 A181 A194 S196 Y202 L250	L112-I198 HydrophobicContact CD1-CG2 3.86Å; L112-I198 HydrophobicContact CD2-CB 3.86Å; L112-I198 HydrophobicContact CD2-CG2 3.62Å; L112-I198 HydrophobicContact CG-CG2 4.29Å; A166-I198 HydrophobicContact CB-CB 4.27Å; A166-I198 HydrophobicContact CB-CG1 3.69Å; V168-I198 HydrophobicContact CB-CG2 3.71Å; V168-I198 HydrophobicContact CG1-CG2 3.71Å; A179-I198 HydrophobicContact CB-CD1 3.57Å; A181-I198 HydrophobicContact CB-CD1 3.9Å; A181-I198 HydrophobicContact CB-CG1 3.82Å; A194-I198 WeakPolarHBondContact O-CG1 3.37Å; A194-I198 PolarHBondContact O-N 3.18Å; S196-I198 PolarHBondContact O-N 2.95Å; I198-Y202 WeakPolarHBondContact O-CB 3.43Å; I198-Y202 PolarHBondContact O-N 3.12Å; I198-L250 HydrophobicContact CD1-CD1 4.12Å
199	S	93.7	Very high	93.5	Very high	17 Å²	17	14.9 Å²	14.9	12%	0.119	8%	0.075	C	C	.	.	H	α-helix	trans	-61.3	-45	172.8	169.3	0	0	0	0	112.3	R195 S196 A197 T203 E239	R195-S199 WeakPolarHBondContact O-CB 3.38Å; R195-S199 PolarHBondContact O-N 3.03Å; S196-S199 WeakPolarHBondContact O-CB 3.47Å; S196-S199 PolarHBondContact O-N 3.08Å; A197-S199 PolarHBondContact O-N 3.12Å; S199-T203 WeakPolarHBondContact O-CB 3.44Å; S199-T203 PolarHBondContact O-N 2.88Å; S199-T203 PolarHBondContact O-OG1 2.7Å; S199-E239 WeakPolarHBondContact CB-OE1 3.2Å; S199-E239 PolarHBondContact OG-OE1 3.4Å
200	A	94.2	Very high	92.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.8	-51.5	177.5	0	0	0	0	0	111.5	S196 A197 Y202 T203 Y204 F235 A236 E239	S196-A200 VanDerWaalsContact O-CB 3.29Å; S196-A200 WeakPolarHBondContact O-CB 3.23Å; S196-A200 PolarHBondContact O-N 2.95Å; A197-A200 PolarHBondContact O-N 3.29Å; A200-Y202 VanDerWaalsContact C-N 3.34Å; A200-Y202 PolarHBondContact O-N 2.94Å; A200-T203 PolarHBondContact O-N 3.21Å; A200-Y204 VanDerWaalsContact O-CB 3.25Å; A200-Y204 WeakPolarHBondContact O-CB 3.48Å; A200-Y204 PolarHBondContact O-N 3.45Å; A200-F235 HydrophobicContact CB-CD1 3.76Å; A200-F235 HydrophobicContact CB-CE1 4Å; A200-A236 VanDerWaalsContact CB-CA 3.44Å; A200-A236 HydrophobicContact CB-CB 3.82Å; A200-E239 WeakPolarHBondContact CA-OE2 3.46Å; A200-E239 HydrophobicContact CB-CB 3.91Å; A200-E239 HydrophobicContact CB-CG 4.36Å; A200-E239 WeakPolarHBondContact CB-OE2 3.48Å
201	I	95.6	Very high	91.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.8	-45.4	176.8	-67.7	-57.9	0	0	0	111.4	A179 A197 T203 Y204 L205 A232 F233 A236 L250 V252	A179-I201 HydrophobicContact CB-CG2 4.34Å; A197-I201 WeakPolarHBondContact O-CG1 3.32Å; A197-I201 PolarHBondContact O-N 3.19Å; I201-T203 PolarHBondContact O-N 3.32Å; I201-Y204 PolarHBondContact O-N 3.37Å; I201-L205 HydrophobicContact CG2-CD1 3.78Å; I201-L205 HydrophobicContact CG2-CG 4.28Å; I201-L205 WeakPolarHBondContact O-CB 3.43Å; I201-L205 WeakPolarHBondContact O-CG 2.99Å; I201-L205 PolarHBondContact O-N 2.97Å; I201-A232 HydrophobicContact CD1-CB 3.51Å; I201-A232 WeakPolarHBondContact CD1-O 3.15Å; I201-F233 HydrophobicContact CD1-CD2 4.07Å; I201-F233 HydrophobicContact CD1-CE2 4.45Å; I201-A236 HydrophobicContact CD1-CB 4.41Å; I201-L250 HydrophobicContact CD1-CD2 3.96Å; I201-L250 HydrophobicContact CG1-CD1 4.25Å; I201-L250 HydrophobicContact CG1-CD2 3.81Å; I201-V252 HydrophobicContact CD1-CG2 4.16Å; I201-V252 HydrophobicContact CG1-CG2 4.06Å; I201-V252 HydrophobicContact CG2-CG1 4.11Å; I201-V252 HydrophobicContact CG2-CG2 4.06Å
202	Y	93	Very high	90.3	Very high	17 Å²	17	19.6 Å²	19.6	7%	0.067	10%	0.096	C	C	.	.	H	α-helix	trans	-57.9	-49.1	176.1	-175.4	-90.4	0	0	0	112	L112 Y132 V168 R170 Y177 I198 A200 E206	L112-Y202 HydrophobicContact CD1-CG 4.44Å; Y132-Y202 VanDerWaalsContact C-OH 3.29Å; Y132-Y202 WeakPolarHBondContact CB-OH 3.23Å; Y132-Y202 PolarHBondContact O-OH 2.65Å; V168-Y202 HydrophobicContact CG2-CD2 3.88Å; V168-Y202 HydrophobicContact CG2-CE2 4.36Å; R170-Y202 PolarHBondContact NH2-OH 3.45Å; Y177-Y202 HydrophobicContact CE2-CD2 4.23Å; Y177-Y202 WeakPolarHBondContact OH-CD2 3.33Å; Y177-Y202 WeakPolarHBondContact OH-CE2 3.35Å; I198-Y202 WeakPolarHBondContact O-CB 3.43Å; I198-Y202 PolarHBondContact O-N 3.12Å; A200-Y202 VanDerWaalsContact C-N 3.34Å; A200-Y202 PolarHBondContact O-N 2.94Å; Y202-E206 HydrophobicContact CD1-CG 4.27Å; Y202-E206 HydrophobicContact CD2-CG 4.48Å; Y202-E206 HydrophobicContact CE1-CG 3.85Å; Y202-E206 HydrophobicContact CE2-CG 4.12Å; Y202-E206 WeakPolarHBondContact O-CB 3.29Å; Y202-E206 VanDerWaalsContact O-CG 3.27Å; Y202-E206 WeakPolarHBondContact O-CG 3.46Å; Y202-E206 PolarHBondContact O-N 3.19Å
203	T	90.8	Very high	88.6	Confident	32 Å²	32	22.8 Å²	22.8	20%	0.196	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-41.5	-177.6	-59.8	0	0	0	0	111.5	S199 A200 I201 S207	S199-T203 WeakPolarHBondContact O-CB 3.44Å; S199-T203 PolarHBondContact O-N 2.88Å; S199-T203 PolarHBondContact O-OG1 2.7Å; A200-T203 PolarHBondContact O-N 3.21Å; I201-T203 PolarHBondContact O-N 3.32Å; T203-S207 VanDerWaalsContact O-CB 3.31Å; T203-S207 WeakPolarHBondContact O-CB 3.3Å; T203-S207 PolarHBondContact O-N 3.19Å; T203-S207 PolarHBondContact O-OG 2.59Å
204	Y	93	Very high	86.6	Confident	10 Å²	10	33 Å²	33	4%	0.039	16%	0.157	C	C	.	.	H	α-helix	trans	-68.5	-49.7	-179.3	-168.3	-87.7	0	0	0	111.6	A200 I201 S207 H208 L228 E231 A232 F235	A200-Y204 VanDerWaalsContact O-CB 3.25Å; A200-Y204 WeakPolarHBondContact O-CB 3.48Å; A200-Y204 PolarHBondContact O-N 3.45Å; I201-Y204 PolarHBondContact O-N 3.37Å; Y204-S207 PolarHBondContact O-N 3.24Å; Y204-S207 PolarHBondContact O-OG 3.46Å; Y204-H208 AromaticContact CD1-ND1 3.84Å; Y204-H208 AromaticContact CD2-CE1 3.46Å; Y204-H208 VanDerWaalsContact CD2-CE1 3.46Å; Y204-H208 WeakPolarHBondContact CD2-CE1 3.47Å; Y204-H208 AromaticContact CD2-ND1 3.7Å; Y204-H208 AromaticContact CE1-ND1 3.87Å; Y204-H208 AromaticContact CE2-CE1 3.29Å; Y204-H208 WeakPolarHBondContact CE2-CE1 3.48Å; Y204-H208 AromaticContact CE2-ND1 3.7Å; Y204-H208 AromaticContact CE2-NE2 3.85Å; Y204-H208 AromaticContact CG-ND1 3.75Å; Y204-H208 AromaticContact CZ-CE1 3.72Å; Y204-H208 AromaticContact CZ-ND1 3.76Å; Y204-H208 PolarHBondContact O-N 3.32Å; Y204-H208 PolarHBondContact O-ND1 2.85Å; Y204-L228 HydrophobicContact CD1-CD1 4.49Å; Y204-L228 HydrophobicContact CE1-CD1 3.61Å; Y204-L228 HydrophobicContact CE1-CG 4.15Å; Y204-E231 HydrophobicContact CE1-CB 4.35Å; Y204-E231 VanDerWaalsContact OH-CB 3.23Å; Y204-E231 WeakPolarHBondContact OH-CB 3.35Å; Y204-E231 PolarHBondContact OH-OE2 2.93Å; Y204-A232 HydrophobicContact CD1-CB 3.34Å; Y204-A232 HydrophobicContact CE1-CB 3.8Å; Y204-A232 HydrophobicContact CG-CB 3.94Å; Y204-F235 HydrophobicContact CD2-CB 3.71Å; Y204-F235 AromaticContact CD2-CD1 3.97Å; Y204-F235 HydrophobicContact CD2-CD1 3.97Å; Y204-F235 HydrophobicContact CD2-CD2 4.23Å; Y204-F235 AromaticContact CD2-CG 3.7Å; Y204-F235 HydrophobicContact CD2-CG 3.7Å; Y204-F235 HydrophobicContact CE2-CB 4.23Å; Y204-F235 HydrophobicContact CE2-CG 4.5Å; Y204-F235 HydrophobicContact CG-CB 4.37Å; Y204-F235 HydrophobicContact CG-CD1 4.33Å; Y204-F235 HydrophobicContact CG-CG 4.43Å
205	L	93.2	Very high	84.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-43.7	179.9	-65	-178.5	0	0	0	112.5	Y177 I201 S207 L209 L228 L229 V252	Y177-L205 HydrophobicContact CD1-CB 4.44Å; Y177-L205 HydrophobicContact CD1-CD1 4.16Å; Y177-L205 HydrophobicContact CD2-CD1 3.9Å; Y177-L205 HydrophobicContact CE1-CB 4.28Å; Y177-L205 HydrophobicContact CE2-CD1 4.42Å; Y177-L205 HydrophobicContact CG-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CD1 3.78Å; I201-L205 HydrophobicContact CG2-CG 4.28Å; I201-L205 WeakPolarHBondContact O-CB 3.43Å; I201-L205 WeakPolarHBondContact O-CG 2.99Å; I201-L205 PolarHBondContact O-N 2.97Å; L205-S207 VanDerWaalsContact C-N 3.29Å; L205-S207 PolarHBondContact O-N 3.26Å; L205-L209 HydrophobicContact CB-CD1 4.27Å; L205-L209 HydrophobicContact CD2-CD1 4.29Å; L205-L209 VanDerWaalsContact O-CB 3.23Å; L205-L209 WeakPolarHBondContact O-CB 3.21Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.15Å; L205-L228 HydrophobicContact CD2-CD2 3.75Å; L205-L228 HydrophobicContact CD2-CG 4.22Å; L205-L229 HydrophobicContact CD1-CD2 4.46Å; L205-L229 HydrophobicContact CD2-CD2 4.21Å; L205-V252 HydrophobicContact CD1-CG1 4.34Å
206	E	90.2	Very high	83.6	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.047	20%	0.196	C	C	.	.	I	π-helix	trans	-62.6	-35.5	177.4	-68	-75.8	103.9	0	0	112	Y132 R170 R172 Y177 Y202 F210 G211	Y132-E206 WeakPolarHBondContact CD1-OE2 3.49Å; R170-E206 IonicContact CZ-OE2 2.71Å; R170-E206 IonicContact NE-OE1 2.71Å; R170-E206 IonicContact NE-OE2 3.67Å; R170-E206 IonicContact NH2-OE2 3.94Å; R170-E206 PolarHBondContact NH2-OE2 3.02Å; R172-E206 IonicContact CZ-OE1 3.17Å; R172-E206 IonicContact NE-OE1 2.71Å; R172-E206 IonicContact NH2-OE1 3.31Å; R172-E206 PolarHBondContact NH2-OE1 3.29Å; R172-E206 IonicContact NH2-OE2 3.53Å; R172-E206 PolarHBondContact NH2-OE2 2.85Å; Y177-E206 WeakPolarHBondContact CE1-OE1 3.36Å; Y177-E206 WeakPolarHBondContact OH-CG 3.44Å; Y177-E206 PolarHBondContact OH-OE1 3.35Å; Y202-E206 HydrophobicContact CD1-CG 4.27Å; Y202-E206 HydrophobicContact CD2-CG 4.48Å; Y202-E206 HydrophobicContact CE1-CG 3.85Å; Y202-E206 HydrophobicContact CE2-CG 4.12Å; Y202-E206 WeakPolarHBondContact O-CB 3.29Å; Y202-E206 VanDerWaalsContact O-CG 3.27Å; Y202-E206 WeakPolarHBondContact O-CG 3.46Å; Y202-E206 PolarHBondContact O-N 3.19Å; E206-F210 CarbonylContact O-C 3.54Å; E206-F210 WeakPolarHBondContact O-CA 3.36Å; E206-F210 PolarHBondContact O-N 3.28Å; E206-F210 VanDerWaalsContact O-N 3.13Å; E206-G211 PolarHBondContact O-N 2.93Å
207	S	86.7	Confident	82.6	Confident	25 Å²	25	43.8 Å²	43.8	18%	0.175	21%	0.208	C	C	.	.	I	π-helix	trans	-76.5	-44.2	-178.7	53.8	0	0	0	0	113.8	T203 Y204 L205 G211	T203-S207 VanDerWaalsContact O-CB 3.31Å; T203-S207 WeakPolarHBondContact O-CB 3.3Å; T203-S207 PolarHBondContact O-N 3.19Å; T203-S207 PolarHBondContact O-OG 2.59Å; Y204-S207 PolarHBondContact O-N 3.24Å; Y204-S207 PolarHBondContact O-OG 3.46Å; L205-S207 VanDerWaalsContact C-N 3.29Å; L205-S207 PolarHBondContact O-N 3.26Å; S207-G211 PolarHBondContact O-N 3Å
208	H	87.9	Confident	81.9	Confident	36 Å²	36	50.3 Å²	50.3	17%	0.167	24%	0.241	C	C	.	.	I	π-helix	trans	-84.6	-25.5	-175.1	-62	84.6	0	0	0	113.8	Y204 H217 L228	Y204-H208 AromaticContact CD1-ND1 3.84Å; Y204-H208 AromaticContact CD2-CE1 3.46Å; Y204-H208 VanDerWaalsContact CD2-CE1 3.46Å; Y204-H208 WeakPolarHBondContact CD2-CE1 3.47Å; Y204-H208 AromaticContact CD2-ND1 3.7Å; Y204-H208 AromaticContact CE1-ND1 3.87Å; Y204-H208 AromaticContact CE2-CE1 3.29Å; Y204-H208 WeakPolarHBondContact CE2-CE1 3.48Å; Y204-H208 AromaticContact CE2-ND1 3.7Å; Y204-H208 AromaticContact CE2-NE2 3.85Å; Y204-H208 AromaticContact CG-ND1 3.75Å; Y204-H208 AromaticContact CZ-CE1 3.72Å; Y204-H208 AromaticContact CZ-ND1 3.76Å; Y204-H208 PolarHBondContact O-N 3.32Å; Y204-H208 PolarHBondContact O-ND1 2.85Å; H208-H217 AromaticContact CD2-CD2 3.57Å; H208-H217 AromaticContact CD2-NE2 3.62Å; H208-H217 PolarHBondContact O-N 2.78Å; H208-L228 HydrophobicContact CB-CD1 4.06Å
209	L	87.5	Confident	81.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-91.8	-55.8	173.8	-61	172.4	0	0	0	112	V94 L205 K216 I219 L228 L254	V94-L209 HydrophobicContact CG1-CB 4.24Å; V94-L209 HydrophobicContact CG1-CD2 4.18Å; V94-L209 WeakPolarHBondContact CG1-O 3.33Å; V94-L209 HydrophobicContact CG2-CD2 4.01Å; L205-L209 HydrophobicContact CB-CD1 4.27Å; L205-L209 HydrophobicContact CD2-CD1 4.29Å; L205-L209 VanDerWaalsContact O-CB 3.23Å; L205-L209 WeakPolarHBondContact O-CB 3.21Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.15Å; L209-K216 VanDerWaalsContact O-CE 3.32Å; L209-K216 WeakPolarHBondContact O-CE 3.38Å; L209-K216 PolarHBondContact O-NZ 3.09Å; L209-I219 HydrophobicContact CD2-CD1 3.42Å; L209-I219 VanDerWaalsContact CD2-CD1 3.42Å; L209-L228 HydrophobicContact CD1-CD2 4.27Å; L209-L228 HydrophobicContact CD2-CD2 3.66Å; L209-L228 HydrophobicContact CG-CD2 3.91Å; L209-L254 HydrophobicContact CD1-CD1 4.07Å
210	F	82.8	Confident	81.4	Confident	22 Å²	22	56.1 Å²	56.1	10%	0.096	26%	0.264	C	S	.	.	I	π-helix	trans	-108.6	-13.6	-162.2	-55.1	-68	0	0	0	114.3	L97 R172 E206	L97-F210 HydrophobicContact CB-CE1 4.27Å; L97-F210 HydrophobicContact CD1-CE1 4.41Å; R172-F210 VanDerWaalsContact CZ-CD2 3.49Å; R172-F210 VanDerWaalsContact NE-CZ 3.33Å; E206-F210 CarbonylContact O-C 3.54Å; E206-F210 WeakPolarHBondContact O-CA 3.36Å; E206-F210 PolarHBondContact O-N 3.28Å; E206-F210 VanDerWaalsContact O-N 3.13Å
211	G	73.6	Confident	81.4	Confident	3 Å²	3	57.7 Å²	57.7	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-70.7	168.9	-178.2	0	0	0	0	0	115.2	E206 S207 M213 K216	E206-G211 PolarHBondContact O-N 2.93Å; S207-G211 PolarHBondContact O-N 3Å; G211-M213 PolarHBondContact O-N 3.2Å; G211-K216 WeakPolarHBondContact O-CE 3.13Å
212	H	62.9	Low	81.4	Confident	164 Å²	164	57.7 Å²	57.7	76%	0.759	27%	0.273	S	S	*	.			trans	-86.3	17.7	170.8	-52.7	-73.7	0	0	0	113.3	Y128 K214	Y128-H212 WeakPolarHBondContact OH-CA 3.48Å; Y128-H212 VanDerWaalsContact OH-CB 3.23Å; Y128-H212 WeakPolarHBondContact OH-CB 3.04Å; Y128-H212 PolarHBondContact OH-CD2 3.16Å; Y128-H212 PolarHBondContact OH-N 3.5Å; H212-K214 PolarHBondContact O-N 2.65Å
213	M	59.2	Low	81.5	Confident	113 Å²	113	60.1 Å²	60.1	56%	0.557	28%	0.282	S	S	*	.			trans	-58.1	137	171.7	-74.5	-63.7	-130	0	0	109.3	G211 E215	G211-M213 PolarHBondContact O-N 3.2Å; M213-E215 PolarHBondContact O-N 3.1Å
214	K	54.1	Low	81.7	Confident	214 Å²	214	61 Å²	61	93%	0.93	29%	0.286	S	S	*	.	S	Bend	trans	-63.9	-21.5	178	-72.6	-175.7	175.8	-179.3	0	112.7	H212	H212-K214 PolarHBondContact O-N 2.65Å
215	E	59.8	Low	81.9	Confident	141 Å²	141	60.6 Å²	60.6	66%	0.659	28%	0.284	S	S	*	.			trans	-110.2	68.6	180	-64.1	175.8	-168.7	0	0	109.4	M213	M213-E215 PolarHBondContact O-N 3.1Å
216	K	69.1	Low	82	Confident	63 Å²	63	60.6 Å²	60.6	27%	0.274	28%	0.284	S	S	.	.			trans	-64.7	143.2	163	-74.1	-163.4	170.8	-153.2	0	109.2	V94 L209 G211 I218	V94-K216 HydrophobicContact CG1-CD 4.29Å; L209-K216 VanDerWaalsContact O-CE 3.32Å; L209-K216 WeakPolarHBondContact O-CE 3.38Å; L209-K216 PolarHBondContact O-NZ 3.09Å; G211-K216 WeakPolarHBondContact O-CE 3.13Å; K216-I218 PolarHBondContact O-N 2.84Å
217	H	73.4	Confident	82.3	Confident	53 Å²	53	61.7 Å²	61.7	25%	0.245	29%	0.289	C	S	.	.			trans	-65.8	128.4	171.1	-85.9	-121.9	0	0	0	110	H208 I219 L228 E231	H208-H217 AromaticContact CD2-CD2 3.57Å; H208-H217 AromaticContact CD2-NE2 3.62Å; H208-H217 PolarHBondContact O-N 2.78Å; H217-I219 HydrophobicContact CB-CG1 4.33Å; H217-I219 PolarHBondContact O-N 2.81Å; H217-I219 VanDerWaalsContact O-N 3.13Å; H217-L228 HydrophobicContact CB-CD1 4.09Å; H217-E231 IonicContact CE1-OE2 3.32Å; H217-E231 PolarHBondContact CE1-OE2 2.99Å; H217-E231 VanDerWaalsContact CE1-OE2 3.29Å
218	I	82.2	Confident	82.7	Confident	136 Å²	136	60.5 Å²	60.5	70%	0.697	28%	0.281	S	S	*	.			trans	-82.7	88.1	172.2	-54.7	177	0	0	0	106.8	K216 K220	K216-I218 PolarHBondContact O-N 2.84Å; I218-K220 HydrophobicContact CG2-CG 4.04Å
219	I	89.4	Confident	83.2	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	27%	0.273	C	S	.	.			trans	-82.8	113.6	171.1	-53.5	-179.6	0	0	0	107.9	V94 L209 H217 D221 D224 A225 L228 L256	V94-I219 HydrophobicContact CG2-CB 3.86Å; V94-I219 HydrophobicContact CG2-CD1 3.88Å; V94-I219 HydrophobicContact CG2-CG1 3.82Å; L209-I219 HydrophobicContact CD2-CD1 3.42Å; L209-I219 VanDerWaalsContact CD2-CD1 3.42Å; H217-I219 HydrophobicContact CB-CG1 4.33Å; H217-I219 PolarHBondContact O-N 2.81Å; H217-I219 VanDerWaalsContact O-N 3.13Å; I219-D221 WeakPolarHBondContact CG2-O 3.09Å; I219-D224 HydrophobicContact CB-CB 4.41Å; I219-D224 HydrophobicContact CG2-CB 3.97Å; I219-A225 HydrophobicContact CG2-CB 3.91Å; I219-L228 HydrophobicContact CD1-CD2 3.93Å; I219-L256 HydrophobicContact CG2-CD1 4.27Å
220	K	91	Very high	83.7	Confident	135 Å²	135	59.8 Å²	59.8	59%	0.587	28%	0.277	S	S	*	.			trans	-96.9	-33.1	176.8	-56.3	165.5	-167.5	158.2	0	111.3	P90 T91 I218 D224	P90-K220 CarbonylContact C-O 3.34Å; P90-K220 WeakPolarHBondContact CA-O 3.32Å; T91-K220 PolarHBondContact N-O 2.92Å; T91-K220 PolarHBondContact OG1-O 2.83Å; I218-K220 HydrophobicContact CG2-CG 4.04Å; K220-D224 WeakPolarHBondContact CB-OD2 3.45Å; K220-D224 WeakPolarHBondContact CG-OD2 3.41Å; K220-D224 PolarHBondContact N-OD2 2.8Å
221	D	93.9	Very high	84.3	Confident	33 Å²	33	59.8 Å²	59.8	18%	0.176	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-148.5	177.6	-174.1	60.9	41.9	0	0	0	112.8	V88 Y89 T91 I219 R223 D224 A225	V88-D221 HydrophobicContact CG1-CB 3.89Å; Y89-D221 CarbonylContact O-C 3.55Å; Y89-D221 WeakPolarHBondContact O-CA 3.41Å; Y89-D221 VanDerWaalsContact O-CB 3.25Å; Y89-D221 WeakPolarHBondContact O-CB 3.11Å; T91-D221 PolarHBondContact OG1-N 3.1Å; I219-D221 WeakPolarHBondContact CG2-O 3.09Å; D221-R223 PolarHBondContact O-N 2.68Å; D221-R223 WeakPolarHBondContact OD1-CA 3.45Å; D221-R223 VanDerWaalsContact OD1-CB 3.24Å; D221-R223 WeakPolarHBondContact OD1-CB 3.44Å; D221-R223 PolarHBondContact OD1-N 3.37Å; D221-D224 PolarHBondContact O-N 3.15Å; D221-D224 PolarHBondContact OD1-N 2.71Å; D221-A225 PolarHBondContact O-N 3.04Å
222	T	95.2	Very high	85.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-21.5	176.6	47.9	0	0	0	0	114.2	A87 V88 Y89 T91 A226 V285 V366	A87-T222 PolarHBondContact O-OG1 3.09Å; V88-T222 WeakPolarHBondContact CA-OG1 3.45Å; Y89-T222 HydrophobicContact CD2-CG2 4.49Å; Y89-T222 PolarHBondContact N-OG1 3.31Å; Y89-T222 PolarHBondContact O-N 3.39Å; T91-T222 HydrophobicContact CG2-CG2 4.14Å; T222-A226 WeakPolarHBondContact O-CB 3.22Å; T222-A226 PolarHBondContact O-N 3.2Å; T222-V285 HydrophobicContact CG2-CG2 3.75Å; T222-V366 HydrophobicContact CG2-CG1 3.91Å
223	R	96	Very high	87.1	Confident	67 Å²	67	51.8 Å²	51.8	25%	0.253	24%	0.24	S	C	.	.	H	α-helix	trans	-77.7	-43.4	176.4	-176.7	-176.5	-75.8	141.9	-10.4	110.5	P80 L83 D85 V88 D221 A225 A226 Q227	P80-R223 HydrophobicContact CB-CG 4.36Å; P80-R223 WeakPolarHBondContact O-CG 3.18Å; P80-R223 PolarHBondContact O-NE 3.24Å; L83-R223 PolarHBondContact O-NH2 3.07Å; D85-R223 IonicContact OD1-CZ 2.96Å; D85-R223 IonicContact OD1-NH1 2.75Å; D85-R223 IonicContact OD1-NH2 3.21Å; D85-R223 PolarHBondContact OD1-NH2 3.43Å; V88-R223 HydrophobicContact CG2-CB 4.44Å; V88-R223 VanDerWaalsContact CG2-CZ 3.4Å; D221-R223 PolarHBondContact O-N 2.68Å; D221-R223 WeakPolarHBondContact OD1-CA 3.45Å; D221-R223 VanDerWaalsContact OD1-CB 3.24Å; D221-R223 WeakPolarHBondContact OD1-CB 3.44Å; D221-R223 PolarHBondContact OD1-N 3.37Å; R223-A225 VanDerWaalsContact C-N 3.27Å; R223-A225 PolarHBondContact O-N 3.43Å; R223-A226 PolarHBondContact O-N 3.4Å; R223-Q227 PolarHBondContact O-N 2.76Å
224	D	95	Very high	88.9	Confident	52 Å²	52	47.2 Å²	47.2	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-59.4	-38.7	169	-76.5	-23.5	0	0	0	111.2	I219 K220 D221 Q227 L228	I219-D224 HydrophobicContact CB-CB 4.41Å; I219-D224 HydrophobicContact CG2-CB 3.97Å; K220-D224 WeakPolarHBondContact CB-OD2 3.45Å; K220-D224 WeakPolarHBondContact CG-OD2 3.41Å; K220-D224 PolarHBondContact N-OD2 2.8Å; D221-D224 PolarHBondContact O-N 3.15Å; D221-D224 PolarHBondContact OD1-N 2.71Å; D224-Q227 PolarHBondContact O-N 2.83Å; D224-L228 PolarHBondContact O-N 3.45Å
225	A	96	Very high	90.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-41.9	176.5	0	0	0	0	0	112.4	I219 D221 R223 Q227 L228 L229 L254 L256 V285	I219-A225 HydrophobicContact CG2-CB 3.91Å; D221-A225 PolarHBondContact O-N 3.04Å; R223-A225 VanDerWaalsContact C-N 3.27Å; R223-A225 PolarHBondContact O-N 3.43Å; A225-Q227 VanDerWaalsContact C-N 3.33Å; A225-L228 PolarHBondContact O-N 2.81Å; A225-L229 PolarHBondContact O-N 2.93Å; A225-L229 VanDerWaalsContact O-N 3.16Å; A225-L254 HydrophobicContact CB-CD2 4.28Å; A225-L256 HydrophobicContact CB-CD1 3.86Å; A225-V285 HydrophobicContact CB-CB 4.35Å; A225-V285 HydrophobicContact CB-CG1 4.16Å; A225-V285 HydrophobicContact CB-CG2 4.08Å
226	A	97.1	Very high	92.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.2	-37.7	175.1	0	0	0	0	0	111.7	P80 L83 T222 R223 L229 F230 V285 C364	P80-A226 HydrophobicContact CB-CB 4.01Å; P80-A226 HydrophobicContact CG-CB 3.97Å; L83-A226 HydrophobicContact CD1-CB 3.95Å; T222-A226 WeakPolarHBondContact O-CB 3.22Å; T222-A226 PolarHBondContact O-N 3.2Å; R223-A226 PolarHBondContact O-N 3.4Å; A226-L229 PolarHBondContact O-N 3.15Å; A226-F230 PolarHBondContact O-N 3.06Å; A226-F230 VanDerWaalsContact O-N 3.08Å; A226-V285 HydrophobicContact CB-CG1 3.82Å; A226-C364 HydrophobicContact CB-CB 4.21Å
227	Q	96.1	Very high	94	Very high	34 Å²	34	31.3 Å²	31.3	16%	0.159	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-43.3	173	-179.3	63.4	37.7	0	0	112	P80 R223 D224 A225 L229 F230 E231	P80-Q227 HydrophobicContact CB-CB 4.39Å; P80-Q227 HydrophobicContact CG-CB 4.36Å; R223-Q227 PolarHBondContact O-N 2.76Å; D224-Q227 PolarHBondContact O-N 2.83Å; A225-Q227 VanDerWaalsContact C-N 3.33Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; Q227-L229 PolarHBondContact O-N 3.01Å; Q227-F230 PolarHBondContact O-N 3.33Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 3.18Å; Q227-E231 WeakPolarHBondContact O-CG 3.32Å; Q227-E231 PolarHBondContact O-N 2.81Å
228	L	95.5	Very high	95	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-41.9	174.2	-177	76.9	0	0	0	111.7	Y204 L205 H208 L209 H217 I219 D224 A225 E231 A232	Y204-L228 HydrophobicContact CD1-CD1 4.49Å; Y204-L228 HydrophobicContact CE1-CD1 3.61Å; Y204-L228 HydrophobicContact CE1-CG 4.15Å; L205-L228 HydrophobicContact CD2-CD2 3.75Å; L205-L228 HydrophobicContact CD2-CG 4.22Å; H208-L228 HydrophobicContact CB-CD1 4.06Å; L209-L228 HydrophobicContact CD1-CD2 4.27Å; L209-L228 HydrophobicContact CD2-CD2 3.66Å; L209-L228 HydrophobicContact CG-CD2 3.91Å; H217-L228 HydrophobicContact CB-CD1 4.09Å; I219-L228 HydrophobicContact CD1-CD2 3.93Å; D224-L228 PolarHBondContact O-N 3.45Å; A225-L228 PolarHBondContact O-N 2.81Å; L228-E231 PolarHBondContact O-N 3.26Å; L228-A232 WeakPolarHBondContact O-CB 3.37Å; L228-A232 PolarHBondContact O-N 2.78Å
229	L	97.7	Very high	95.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-39.3	177.8	-66.5	-177.6	0	0	0	112.1	L205 A225 A226 Q227 A232 F233 V252 L254 V285 A287	L205-L229 HydrophobicContact CD1-CD2 4.46Å; L205-L229 HydrophobicContact CD2-CD2 4.21Å; A225-L229 PolarHBondContact O-N 2.93Å; A225-L229 VanDerWaalsContact O-N 3.16Å; A226-L229 PolarHBondContact O-N 3.15Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; Q227-L229 PolarHBondContact O-N 3.01Å; L229-A232 WeakPolarHBondContact O-CB 3.24Å; L229-A232 PolarHBondContact O-N 2.87Å; L229-F233 WeakPolarHBondContact O-CD2 3.35Å; L229-F233 PolarHBondContact O-N 2.89Å; L229-V252 HydrophobicContact CD2-CB 4.37Å; L229-V252 HydrophobicContact CD2-CG1 3.73Å; L229-L254 HydrophobicContact CD1-CB 4.24Å; L229-L254 HydrophobicContact CD2-CB 4.21Å; L229-L254 HydrophobicContact CD2-CD2 4.47Å; L229-V285 HydrophobicContact CD1-CG1 4.22Å; L229-A287 HydrophobicContact CB-CB 3.67Å; L229-A287 HydrophobicContact CD1-CB 4.1Å
230	F	97.1	Very high	95.9	Very high	20 Å²	20	27.3 Å²	27.3	9%	0.088	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-40.5	175.9	-87.8	-135.3	0	0	0	111.9	W29 C79 P80 A226 Q227 A232 F233 S234 A287 L362 C364	W29-F230 HydrophobicContact CZ3-CD1 4.41Å; C79-F230 HydrophobicContact CB-CE1 4.38Å; P80-F230 HydrophobicContact CG-CD1 4.28Å; P80-F230 HydrophobicContact CG-CD2 4.31Å; P80-F230 HydrophobicContact CG-CG 4.16Å; A226-F230 PolarHBondContact O-N 3.06Å; A226-F230 VanDerWaalsContact O-N 3.08Å; Q227-F230 PolarHBondContact O-N 3.33Å; F230-A232 VanDerWaalsContact C-N 3.31Å; F230-A232 PolarHBondContact O-N 3.4Å; F230-F233 PolarHBondContact O-N 3.15Å; F230-S234 PolarHBondContact O-N 2.96Å; F230-A287 HydrophobicContact CD2-CB 3.94Å; F230-A287 HydrophobicContact CE2-CB 3.87Å; F230-L362 HydrophobicContact CD1-CD2 4.31Å; F230-L362 HydrophobicContact CE1-CD2 3.68Å; F230-L362 HydrophobicContact CE1-CG 4.11Å; F230-L362 HydrophobicContact CE2-CD1 4.26Å; F230-L362 HydrophobicContact CE2-CG 4.5Å; F230-L362 HydrophobicContact CZ-CD1 4.06Å; F230-L362 HydrophobicContact CZ-CD2 3.92Å; F230-L362 HydrophobicContact CZ-CG 3.81Å; F230-C364 HydrophobicContact CE2-CB 3.74Å; F230-C364 HydrophobicContact CZ-CB 4.19Å
231	E	96	Very high	96.1	Very high	22 Å²	22	23.9 Å²	23.9	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-35.2	173.8	-65.8	177.4	-158.1	0	0	111.5	R22 Y204 H217 Q227 L228 S234 F235	R22-E231 IonicContact NH2-OE1 3.55Å; R22-E231 PolarHBondContact NH2-OE1 2.93Å; Y204-E231 HydrophobicContact CE1-CB 4.35Å; Y204-E231 VanDerWaalsContact OH-CB 3.23Å; Y204-E231 WeakPolarHBondContact OH-CB 3.35Å; Y204-E231 PolarHBondContact OH-OE2 2.93Å; H217-E231 IonicContact CE1-OE2 3.32Å; H217-E231 PolarHBondContact CE1-OE2 2.99Å; H217-E231 VanDerWaalsContact CE1-OE2 3.29Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.36Å; Q227-E231 PolarHBondContact NE2-OE1 3.18Å; Q227-E231 WeakPolarHBondContact O-CG 3.32Å; Q227-E231 PolarHBondContact O-N 2.81Å; L228-E231 PolarHBondContact O-N 3.26Å; E231-S234 PolarHBondContact O-N 3.37Å; E231-F235 PolarHBondContact O-N 2.94Å
232	A	96.9	Very high	96.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-35.8	172.3	0	0	0	0	0	112.9	I201 Y204 L228 L229 F230 F235 A236	I201-A232 HydrophobicContact CD1-CB 3.51Å; I201-A232 WeakPolarHBondContact CD1-O 3.15Å; Y204-A232 HydrophobicContact CD1-CB 3.34Å; Y204-A232 HydrophobicContact CE1-CB 3.8Å; Y204-A232 HydrophobicContact CG-CB 3.94Å; L228-A232 WeakPolarHBondContact O-CB 3.37Å; L228-A232 PolarHBondContact O-N 2.78Å; L229-A232 WeakPolarHBondContact O-CB 3.24Å; L229-A232 PolarHBondContact O-N 2.87Å; F230-A232 VanDerWaalsContact C-N 3.31Å; F230-A232 PolarHBondContact O-N 3.4Å; A232-F235 PolarHBondContact O-N 3.06Å; A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.13Å
233	F	98.1	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-39.3	174.3	-84.3	-136.6	0	0	0	111.6	W29 I201 L229 F230 F235 A236 Q237 L250 V252 A287 V289 L362	W29-F233 HydrophobicContact CH2-CB 3.74Å; W29-F233 HydrophobicContact CZ2-CB 4.35Å; I201-F233 HydrophobicContact CD1-CD2 4.07Å; I201-F233 HydrophobicContact CD1-CE2 4.45Å; L229-F233 WeakPolarHBondContact O-CD2 3.35Å; L229-F233 PolarHBondContact O-N 2.89Å; F230-F233 PolarHBondContact O-N 3.15Å; F233-F235 VanDerWaalsContact C-N 3.31Å; F233-F235 PolarHBondContact O-N 3.46Å; F233-A236 PolarHBondContact O-N 3.06Å; F233-Q237 PolarHBondContact O-N 3.48Å; F233-L250 HydrophobicContact CD1-CD2 4.16Å; F233-L250 HydrophobicContact CD2-CD2 3.77Å; F233-L250 HydrophobicContact CE1-CB 4.16Å; F233-L250 HydrophobicContact CE1-CD2 4.08Å; F233-L250 HydrophobicContact CE1-CG 4.14Å; F233-L250 WeakPolarHBondContact CE1-O 3.37Å; F233-L250 HydrophobicContact CE2-CD2 3.7Å; F233-L250 HydrophobicContact CE2-CG 3.99Å; F233-L250 HydrophobicContact CG-CD2 4.01Å; F233-L250 HydrophobicContact CZ-CB 4.2Å; F233-L250 HydrophobicContact CZ-CD2 3.84Å; F233-L250 HydrophobicContact CZ-CG 3.75Å; F233-L250 VanDerWaalsContact CZ-O 3.3Å; F233-L250 WeakPolarHBondContact CZ-O 3.4Å; F233-V252 HydrophobicContact CD2-CG2 4.49Å; F233-V252 HydrophobicContact CE2-CB 4.01Å; F233-V252 HydrophobicContact CE2-CG2 3.5Å; F233-V252 HydrophobicContact CZ-CG2 4.07Å; F233-A287 HydrophobicContact CD2-CB 4.35Å; F233-A287 HydrophobicContact CE1-CB 4.35Å; F233-A287 HydrophobicContact CE2-CB 3.71Å; F233-A287 HydrophobicContact CZ-CB 3.74Å; F233-A287 WeakPolarHBondContact CZ-O 3.49Å; F233-V289 HydrophobicContact CD1-CG1 4.08Å; F233-V289 HydrophobicContact CE1-CB 4.22Å; F233-V289 HydrophobicContact CE1-CG1 3.78Å; F233-L362 HydrophobicContact CD1-CD1 4.03Å; F233-L362 HydrophobicContact CE1-CD1 4.13Å
234	S	96.8	Very high	95.9	Very high	16 Å²	16	24.9 Å²	24.9	11%	0.112	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-39.7	172.3	-173.2	0	0	0	0	111.5	F230 E231 Q237 D238	F230-S234 PolarHBondContact O-N 2.96Å; E231-S234 PolarHBondContact O-N 3.37Å; S234-Q237 WeakPolarHBondContact O-CB 3.21Å; S234-Q237 PolarHBondContact O-N 3.34Å; S234-D238 PolarHBondContact O-N 3.22Å
235	F	96.1	Very high	95.9	Very high	80 Å²	80	27.9 Å²	27.9	35%	0.351	16%	0.157	S	C	.	.	H	α-helix	trans	-65.4	-38.9	174.6	-174.5	-103.1	0	0	0	112.1	A200 Y204 E231 A232 F233 D238 E239	A200-F235 HydrophobicContact CB-CD1 3.76Å; A200-F235 HydrophobicContact CB-CE1 4Å; Y204-F235 HydrophobicContact CD2-CB 3.71Å; Y204-F235 AromaticContact CD2-CD1 3.97Å; Y204-F235 HydrophobicContact CD2-CD1 3.97Å; Y204-F235 HydrophobicContact CD2-CD2 4.23Å; Y204-F235 AromaticContact CD2-CG 3.7Å; Y204-F235 HydrophobicContact CD2-CG 3.7Å; Y204-F235 HydrophobicContact CE2-CB 4.23Å; Y204-F235 HydrophobicContact CE2-CG 4.5Å; Y204-F235 HydrophobicContact CG-CB 4.37Å; Y204-F235 HydrophobicContact CG-CD1 4.33Å; Y204-F235 HydrophobicContact CG-CG 4.43Å; E231-F235 PolarHBondContact O-N 2.94Å; A232-F235 PolarHBondContact O-N 3.06Å; F233-F235 VanDerWaalsContact C-N 3.31Å; F233-F235 PolarHBondContact O-N 3.46Å; F235-D238 PolarHBondContact O-N 3.23Å; F235-E239 PolarHBondContact O-N 2.92Å; F235-E239 VanDerWaalsContact O-N 3.11Å
236	A	97.2	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-41.8	173.9	0	0	0	0	0	112.9	A200 I201 A232 F233 D238 E239 I240 L250 L348	A200-A236 VanDerWaalsContact CB-CA 3.44Å; A200-A236 HydrophobicContact CB-CB 3.82Å; I201-A236 HydrophobicContact CD1-CB 4.41Å; A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.13Å; F233-A236 PolarHBondContact O-N 3.06Å; A236-D238 VanDerWaalsContact C-N 3.34Å; A236-D238 PolarHBondContact O-N 3.35Å; A236-E239 PolarHBondContact O-N 2.77Å; A236-I240 VanDerWaalsContact O-CD1 3.24Å; A236-I240 WeakPolarHBondContact O-CD1 3.46Å; A236-I240 WeakPolarHBondContact O-CG1 3.36Å; A236-I240 PolarHBondContact O-N 3.06Å; A236-L250 HydrophobicContact CB-CD2 4.21Å; A236-L348 HydrophobicContact CB-CD1 4.18Å
237	Q	97.5	Very high	95.9	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-54.7	-50	174.9	176.3	62.5	13.5	0	0	111.7	F233 S234 I240 V241 G349 G355 P357	F233-Q237 PolarHBondContact O-N 3.48Å; S234-Q237 WeakPolarHBondContact O-CB 3.21Å; S234-Q237 PolarHBondContact O-N 3.34Å; Q237-I240 PolarHBondContact O-N 3.04Å; Q237-V241 WeakPolarHBondContact O-CG2 3.21Å; Q237-V241 PolarHBondContact O-N 3.36Å; Q237-G349 PolarHBondContact NE2-O 2.81Å; Q237-G355 PolarHBondContact NE2-O 3Å; Q237-P357 HydrophobicContact CG-CG 4.21Å
238	D	95.3	Very high	96	Very high	83 Å²	83	28.7 Å²	28.7	44%	0.444	16%	0.164	S	C	.	.	H	α-helix	trans	-65.5	-40.5	-178.6	-67.7	-18.2	0	0	0	111.5	S234 F235 A236 S242	S234-D238 PolarHBondContact O-N 3.22Å; F235-D238 PolarHBondContact O-N 3.23Å; A236-D238 VanDerWaalsContact C-N 3.34Å; A236-D238 PolarHBondContact O-N 3.35Å; D238-S242 WeakPolarHBondContact O-CB 3.13Å; D238-S242 PolarHBondContact O-N 3.14Å; D238-S242 VanDerWaalsContact O-N 3.08Å; D238-S242 PolarHBondContact O-OG 3.08Å
239	E	93.8	Very high	96.1	Very high	28 Å²	28	28.7 Å²	28.7	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-42.8	175.7	-170.8	169.1	144.1	0	0	111.9	S199 A200 F235 A236 S242 V243	S199-E239 WeakPolarHBondContact CB-OE1 3.2Å; S199-E239 PolarHBondContact OG-OE1 3.4Å; A200-E239 WeakPolarHBondContact CA-OE2 3.46Å; A200-E239 HydrophobicContact CB-CB 3.91Å; A200-E239 HydrophobicContact CB-CG 4.36Å; A200-E239 WeakPolarHBondContact CB-OE2 3.48Å; F235-E239 PolarHBondContact O-N 2.92Å; F235-E239 VanDerWaalsContact O-N 3.11Å; A236-E239 PolarHBondContact O-N 2.77Å; E239-S242 PolarHBondContact O-N 2.69Å; E239-S242 PolarHBondContact O-OG 3.33Å; E239-V243 WeakPolarHBondContact O-CG2 3.44Å; E239-V243 PolarHBondContact O-N 2.67Å
240	I	95.6	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-54.4	177.3	-65	155.8	0	0	0	110.5	A193 A197 A236 Q237 S242 V243 T244 T248 L348	A193-I240 HydrophobicContact CB-CG2 3.95Å; A197-I240 HydrophobicContact CB-CD1 3.91Å; A197-I240 HydrophobicContact CB-CG1 4.32Å; A236-I240 VanDerWaalsContact O-CD1 3.24Å; A236-I240 WeakPolarHBondContact O-CD1 3.46Å; A236-I240 WeakPolarHBondContact O-CG1 3.36Å; A236-I240 PolarHBondContact O-N 3.06Å; Q237-I240 PolarHBondContact O-N 3.04Å; I240-S242 PolarHBondContact O-N 3.49Å; I240-V243 PolarHBondContact O-N 2.84Å; I240-T244 HydrophobicContact CG2-CG2 3.83Å; I240-T244 WeakPolarHBondContact O-CG2 3.31Å; I240-T244 PolarHBondContact O-N 2.86Å; I240-T248 HydrophobicContact CD1-CG2 3.72Å; I240-T248 HydrophobicContact CG1-CG2 4.47Å; I240-L348 HydrophobicContact CD1-CB 3.55Å; I240-L348 HydrophobicContact CD1-CD1 4.11Å
241	V	95.3	Very high	96.2	Very high	62 Å²	62	27.8 Å²	27.8	38%	0.376	16%	0.16	S	C	.	.	H	α-helix	trans	-61.8	-29.3	-177.4	173.4	0	0	0	0	111.8	Q237 V243 A350	Q237-V241 WeakPolarHBondContact O-CG2 3.21Å; Q237-V241 PolarHBondContact O-N 3.36Å; V241-V243 VanDerWaalsContact C-N 3.33Å; V241-V243 PolarHBondContact O-N 3.44Å; V241-A350 HydrophobicContact CG2-CB 4.28Å
242	S	93.3	Very high	96.4	Very high	89 Å²	89	26.7 Å²	26.7	62%	0.622	16%	0.155	S	C	*	.	H	α-helix	trans	-73.4	-18.7	174.9	78.2	0	0	0	0	114.8	D238 E239 I240	D238-S242 WeakPolarHBondContact O-CB 3.13Å; D238-S242 PolarHBondContact O-N 3.14Å; D238-S242 VanDerWaalsContact O-N 3.08Å; D238-S242 PolarHBondContact O-OG 3.08Å; E239-S242 PolarHBondContact O-N 2.69Å; E239-S242 PolarHBondContact O-OG 3.33Å; I240-S242 PolarHBondContact O-N 3.49Å
243	V	92.2	Very high	96.4	Very high	20 Å²	20	26.7 Å²	26.7	12%	0.121	16%	0.155	C	C	.	.	H	α-helix	trans	-113.6	-31.1	-169.6	168.1	0	0	0	0	113.8	W118 K192 S196 E239 I240 V241	W118-V243 HydrophobicContact CB-CG1 3.79Å; W118-V243 HydrophobicContact CD2-CG1 4.46Å; W118-V243 HydrophobicContact CE3-CG1 3.99Å; W118-V243 HydrophobicContact CG-CG1 4.44Å; K192-V243 HydrophobicContact CB-CG1 4.39Å; S196-V243 WeakPolarHBondContact OG-CG1 3.14Å; E239-V243 WeakPolarHBondContact O-CG2 3.44Å; E239-V243 PolarHBondContact O-N 2.67Å; I240-V243 PolarHBondContact O-N 2.84Å; V241-V243 VanDerWaalsContact C-N 3.33Å; V241-V243 PolarHBondContact O-N 3.44Å
244	T	94.6	Very high	96.4	Very high	12 Å²	12	26.8 Å²	26.8	7%	0.074	16%	0.155	C	C	.	.			trans	-154.7	156.8	-167.1	-176.1	0	0	0	0	112.3	E189 K192 A193 I240 G246	E189-T244 WeakPolarHBondContact CA-OG1 3.49Å; E189-T244 WeakPolarHBondContact CB-OG1 3.45Å; E189-T244 PolarHBondContact O-OG1 3.13Å; E189-T244 PolarHBondContact OE2-OG1 2.92Å; E189-T244 VanDerWaalsContact OE2-OG1 3.06Å; K192-T244 HydrophobicContact CB-CG2 3.97Å; A193-T244 HydrophobicContact CB-CG2 3.86Å; I240-T244 HydrophobicContact CG2-CG2 3.83Å; I240-T244 WeakPolarHBondContact O-CG2 3.31Å; I240-T244 PolarHBondContact O-N 2.86Å; T244-G246 VanDerWaalsContact C-N 3.35Å; T244-G246 PolarHBondContact OG1-N 2.78Å
245	T	95.4	Very high	96.5	Very high	115 Å²	115	26 Å²	26	71%	0.706	15%	0.15	S	C	*	.	S	Bend	trans	-90.8	-1.8	166	55.4	0	0	0	0	112.8
246	G	96.4	Very high	96.4	Very high	6 Å²	6	22.3 Å²	22.3	6%	0.062	13%	0.134	C	C	.	.			trans	-69.4	158	176.2	0	0	0	0	0	112.8	A193 T244	A193-G246 WeakPolarHBondContact CB-O 3.34Å; T244-G246 VanDerWaalsContact C-N 3.35Å; T244-G246 PolarHBondContact OG1-N 2.78Å
247	L	97.7	Very high	96.3	Very high	45 Å²	45	22.9 Å²	22.9	24%	0.236	14%	0.138	C	C	.	.			trans	-114.1	156.8	179.6	-52.7	177.2	0	0	0	109.8	G183 V184 A347 L348 V351	G183-L247 CarbonylContact C-O 3.56Å; G183-L247 WeakPolarHBondContact CA-O 3.44Å; V184-L247 HydrophobicContact CB-CB 4.08Å; V184-L247 HydrophobicContact CG2-CB 3.85Å; V184-L247 PolarHBondContact N-O 2.86Å; L247-A347 HydrophobicContact CB-CB 4.26Å; L247-L348 CarbonylContact C-O 3.42Å; L247-L348 VanDerWaalsContact CA-O 3.24Å; L247-L348 WeakPolarHBondContact CA-O 3.33Å; L247-V351 HydrophobicContact CD1-CG2 4.08Å; L247-V351 HydrophobicContact CD2-CG2 3.82Å; L247-V351 HydrophobicContact CG-CG2 4.5Å
248	T	98	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-153	144.9	178.6	-172.1	0	0	0	0	112.2	D182 A193 A194 A197 I240 L348	D182-T248 VanDerWaalsContact C-OG1 3.32Å; D182-T248 CarbonylContact O-C 3.58Å; D182-T248 WeakPolarHBondContact O-CA 3.23Å; D182-T248 WeakPolarHBondContact O-CB 3.24Å; D182-T248 PolarHBondContact O-OG1 2.87Å; A193-T248 HydrophobicContact CB-CG2 3.97Å; A194-T248 VanDerWaalsContact CA-OG1 3.3Å; A194-T248 WeakPolarHBondContact CA-OG1 3.23Å; A194-T248 WeakPolarHBondContact CB-OG1 3.44Å; A197-T248 HydrophobicContact CB-CG2 3.92Å; I240-T248 HydrophobicContact CD1-CG2 3.72Å; I240-T248 HydrophobicContact CG1-CG2 4.47Å; T248-L348 HydrophobicContact CG2-CB 4.22Å; T248-L348 PolarHBondContact N-O 3.25Å; T248-L348 PolarHBondContact O-N 2.9Å
249	T	98	Very high	95.6	Very high	1 Å²	1	23 Å²	23	1%	0.006	14%	0.139	C	C	.	.			trans	-72.6	167.4	161.7	70.8	0	0	0	0	109.7	A181 D182 V289 C292 T344	A181-T249 VanDerWaalsContact CA-O 3.31Å; A181-T249 WeakPolarHBondContact CA-O 3.32Å; A181-T249 WeakPolarHBondContact CB-O 3.42Å; D182-T249 HydrophobicContact CB-CG2 4.4Å; D182-T249 WeakPolarHBondContact CB-OG1 3.46Å; D182-T249 PolarHBondContact N-OG1 3.3Å; D182-T249 PolarHBondContact O-N 3.19Å; D182-T249 PolarHBondContact O-OG1 3.05Å; T249-V289 WeakPolarHBondContact CB-O 3.31Å; T249-C292 PolarHBondContact OG1-SG 3.49Å; T249-T344 HydrophobicContact CG2-CG2 3.74Å
250	L	98.5	Very high	94.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	120.4	173.2	-178.3	64.4	0	0	0	111	A181 A197 I198 I201 F233 A236 V252 S288 V289 L348	A181-L250 HydrophobicContact CB-CD1 3.98Å; A197-L250 HydrophobicContact CB-CD1 4.26Å; I198-L250 HydrophobicContact CD1-CD1 4.12Å; I201-L250 HydrophobicContact CD1-CD2 3.96Å; I201-L250 HydrophobicContact CG1-CD1 4.25Å; I201-L250 HydrophobicContact CG1-CD2 3.81Å; F233-L250 HydrophobicContact CD1-CD2 4.16Å; F233-L250 HydrophobicContact CD2-CD2 3.77Å; F233-L250 HydrophobicContact CE1-CB 4.16Å; F233-L250 HydrophobicContact CE1-CD2 4.08Å; F233-L250 HydrophobicContact CE1-CG 4.14Å; F233-L250 WeakPolarHBondContact CE1-O 3.37Å; F233-L250 HydrophobicContact CE2-CD2 3.7Å; F233-L250 HydrophobicContact CE2-CG 3.99Å; F233-L250 HydrophobicContact CG-CD2 4.01Å; F233-L250 HydrophobicContact CZ-CB 4.2Å; F233-L250 HydrophobicContact CZ-CD2 3.84Å; F233-L250 HydrophobicContact CZ-CG 3.75Å; F233-L250 VanDerWaalsContact CZ-O 3.3Å; F233-L250 WeakPolarHBondContact CZ-O 3.4Å; A236-L250 HydrophobicContact CB-CD2 4.21Å; L250-V252 HydrophobicContact CD1-CG2 3.96Å; L250-V252 HydrophobicContact CD2-CG2 4.3Å; L250-V252 HydrophobicContact CG-CG2 3.94Å; L250-S288 CarbonylContact O-C 3.57Å; L250-S288 WeakPolarHBondContact O-CA 3.49Å; L250-V289 HydrophobicContact CB-CG1 4.25Å; L250-V289 PolarHBondContact N-O 3.03Å; L250-V289 PolarHBondContact O-N 3.01Å; L250-L348 HydrophobicContact CB-CD1 3.9Å; L250-L348 HydrophobicContact CD2-CD1 3.62Å; L250-L348 HydrophobicContact CG-CD1 4.43Å
251	C	98.6	Very high	92.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126	169.6	-179.8	0	0	0	0	109.8	A179 V180 S288 C292 I377	A179-C251 CarbonylContact C-O 3.58Å; A179-C251 VanDerWaalsContact CA-O 3.23Å; A179-C251 WeakPolarHBondContact CA-O 3.31Å; V180-C251 PolarHBondContact N-O 3.28Å; V180-C251 PolarHBondContact O-N 3.48Å; C251-S288 WeakPolarHBondContact CB-OG 3.25Å; C251-C292 HydrophobicContact CB-CB 3.59Å; C251-I377 HydrophobicContact CB-CG2 3.95Å
252	V	98.7	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.3	-179	-174.6	0	0	0	0	109.8	L178 A179 I201 L205 L229 F233 L250 I286 A287	L178-V252 CarbonylContact O-C 3.59Å; L178-V252 WeakPolarHBondContact O-CA 3.17Å; A179-V252 HydrophobicContact CB-CB 4.32Å; A179-V252 HydrophobicContact CB-CG1 4.28Å; A179-V252 HydrophobicContact CB-CG2 3.77Å; I201-V252 HydrophobicContact CD1-CG2 4.16Å; I201-V252 HydrophobicContact CG1-CG2 4.06Å; I201-V252 HydrophobicContact CG2-CG1 4.11Å; I201-V252 HydrophobicContact CG2-CG2 4.06Å; L205-V252 HydrophobicContact CD1-CG1 4.34Å; L229-V252 HydrophobicContact CD2-CB 4.37Å; L229-V252 HydrophobicContact CD2-CG1 3.73Å; F233-V252 HydrophobicContact CD2-CG2 4.49Å; F233-V252 HydrophobicContact CE2-CB 4.01Å; F233-V252 HydrophobicContact CE2-CG2 3.5Å; F233-V252 HydrophobicContact CZ-CG2 4.07Å; L250-V252 HydrophobicContact CD1-CG2 3.96Å; L250-V252 HydrophobicContact CD2-CG2 4.3Å; L250-V252 HydrophobicContact CG-CG2 3.94Å; V252-I286 VanDerWaalsContact O-CA 3.26Å; V252-I286 WeakPolarHBondContact O-CA 3.27Å; V252-A287 PolarHBondContact N-O 2.71Å; V252-A287 PolarHBondContact O-N 2.86Å
253	A	98.5	Very high	87.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.9	169.3	0	0	0	0	0	110.7	Y177 L178 I255 V284 V285 I286 V375 I377	Y177-A253 CarbonylContact C-O 3.59Å; Y177-A253 WeakPolarHBondContact CA-O 3.47Å; Y177-A253 WeakPolarHBondContact CB-O 3.36Å; L178-A253 PolarHBondContact N-O 3.17Å; L178-A253 PolarHBondContact O-N 3.49Å; A253-I255 HydrophobicContact CB-CD1 4.27Å; A253-V284 HydrophobicContact CB-CG1 4.04Å; A253-V285 CarbonylContact C-O 3.59Å; A253-V285 WeakPolarHBondContact CA-O 3.22Å; A253-I286 HydrophobicContact CB-CD1 3.92Å; A253-I286 HydrophobicContact CB-CG1 3.85Å; A253-V375 HydrophobicContact CB-CG1 4.31Å; A253-I377 HydrophobicContact CB-CD1 3.86Å
254	L	97.9	Very high	84.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120	174	176.6	60.2	0	0	0	108.5	L209 A225 L229 L256 V285	L209-L254 HydrophobicContact CD1-CD1 4.07Å; A225-L254 HydrophobicContact CB-CD2 4.28Å; L229-L254 HydrophobicContact CD1-CB 4.24Å; L229-L254 HydrophobicContact CD2-CB 4.21Å; L229-L254 HydrophobicContact CD2-CD2 4.47Å; L254-L256 HydrophobicContact CD1-CD2 4.23Å; L254-L256 HydrophobicContact CD1-CG 4.43Å; L254-L256 HydrophobicContact CD2-CD1 4.15Å; L254-L256 HydrophobicContact CD2-CG 4.49Å; L254-L256 HydrophobicContact CG-CD1 4.23Å; L254-L256 HydrophobicContact CG-CD2 4.37Å; L254-L256 HydrophobicContact CG-CG 4.05Å; L254-V285 PolarHBondContact N-O 2.64Å; L254-V285 PolarHBondContact O-N 2.77Å
255	I	97.3	Very high	81.7	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.9	-177.9	-61.5	80.6	0	0	0	108.3	S175 A176 L178 A253 F282 S283 V284 V375 Y659 V661	S175-I255 WeakPolarHBondContact CA-O 3.4Å; A176-I255 HydrophobicContact CB-CB 4.4Å; A176-I255 HydrophobicContact CB-CD1 4.36Å; A176-I255 PolarHBondContact N-O 2.97Å; A176-I255 PolarHBondContact O-N 3.07Å; L178-I255 HydrophobicContact CD1-CD1 3.47Å; L178-I255 VanDerWaalsContact CD1-CD1 3.47Å; A253-I255 HydrophobicContact CB-CD1 4.27Å; I255-F282 HydrophobicContact CG2-CB 4.16Å; I255-F282 HydrophobicContact CG2-CD1 3.91Å; I255-F282 HydrophobicContact CG2-CG 4.38Å; I255-S283 WeakPolarHBondContact CA-O 3.36Å; I255-V284 HydrophobicContact CG1-CG1 4.3Å; I255-V284 HydrophobicContact CG1-CG2 4.28Å; I255-V375 HydrophobicContact CG1-CG2 4.26Å; I255-Y659 HydrophobicContact CB-CE1 4.36Å; I255-Y659 HydrophobicContact CD1-CD1 4.25Å; I255-Y659 HydrophobicContact CG1-CD1 4.28Å; I255-Y659 HydrophobicContact CG1-CE1 4.33Å; I255-Y659 HydrophobicContact CG2-CE1 4.26Å; I255-V661 HydrophobicContact CG2-CG1 4.16Å; I255-V661 HydrophobicContact CG2-CG2 4.43Å
256	L	95.4	Very high	78.9	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.9	-178.1	-63.2	174.2	0	0	0	110.5	T91 L97 I219 A225 L254 F282 S283	T91-L256 HydrophobicContact CG2-CB 4.03Å; T91-L256 HydrophobicContact CG2-CD1 3.96Å; L97-L256 HydrophobicContact CD1-CD2 3.82Å; I219-L256 HydrophobicContact CG2-CD1 4.27Å; A225-L256 HydrophobicContact CB-CD1 3.86Å; L254-L256 HydrophobicContact CD1-CD2 4.23Å; L254-L256 HydrophobicContact CD1-CG 4.43Å; L254-L256 HydrophobicContact CD2-CD1 4.15Å; L254-L256 HydrophobicContact CD2-CG 4.49Å; L254-L256 HydrophobicContact CG-CD1 4.23Å; L254-L256 HydrophobicContact CG-CD2 4.37Å; L254-L256 HydrophobicContact CG-CG 4.05Å; L256-F282 CarbonylContact O-C 3.6Å; L256-F282 WeakPolarHBondContact O-CA 3.16Å; L256-S283 PolarHBondContact N-O 2.85Å; L256-S283 PolarHBondContact O-N 3.09Å; L256-S283 PolarHBondContact O-OG 2.87Å
257	P	93.7	Very high	76	Confident	13 Å²	13	57 Å²	57	8%	0.084	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.3	174.8	26.2	-22.3	0	0	0	110.3	M92 L97 D174 F282	M92-P257 HydrophobicContact CB-CG 3.78Å; M92-P257 HydrophobicContact CE-CB 4.44Å; M92-P257 HydrophobicContact CE-CG 4.12Å; M92-P257 PolarHBondContact N-O 3.29Å; M92-P257 HydrophobicContact SD-CG 4.26Å; L97-P257 HydrophobicContact CD2-CG 3.91Å; D174-P257 VanDerWaalsContact O-CD 3.32Å; D174-P257 WeakPolarHBondContact O-CD 3.27Å; P257-F282 HydrophobicContact CB-CD1 4.07Å; P257-F282 HydrophobicContact CB-CE1 3.91Å
258	V	91.7	Very high	72.8	Confident	16 Å²	16	66.1 Å²	66.1	10%	0.097	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-90.5	136.6	-178.2	175.2	0	0	0	0	110.2	Y89 T260 Q281 L368	Y89-V258 HydrophobicContact CD1-CG1 4.33Å; V258-T260 PolarHBondContact O-N 3.08Å; V258-T260 VanDerWaalsContact O-N 3.12Å; V258-Q281 PolarHBondContact N-O 3.22Å; V258-L368 HydrophobicContact CG2-CD2 3.99Å
259	L	86.8	Confident	70.2	Confident	73 Å²	73	73 Å²	73	38%	0.382	38%	0.378	S	S	.	.			trans	-78.4	91.1	173.6	-66	177.1	0	0	0	110.1	P90 T91 M92 T261	P90-L259 HydrophobicContact CB-CB 4.26Å; P90-L259 HydrophobicContact CB-CD1 4.49Å; P90-L259 HydrophobicContact CG-CB 4.24Å; P90-L259 PolarHBondContact O-N 2.79Å; T91-L259 WeakPolarHBondContact O-CD1 3.37Å; M92-L259 HydrophobicContact CB-CD2 4.37Å; L259-T261 PolarHBondContact O-N 3.39Å
260	T	68.7	Low	67.3	Low	67 Å²	67	78.2 Å²	78.2	41%	0.411	41%	0.41	S	S	.	.			trans	-69.7	101.5	169.6	55.1	0	0	0	0	109.7	V258 T262	V258-T260 PolarHBondContact O-N 3.08Å; V258-T260 VanDerWaalsContact O-N 3.12Å; T260-T262 PolarHBondContact O-N 3.02Å
261	T	53.5	Low	64.3	Low	112 Å²	112	85.8 Å²	85.8	69%	0.687	45%	0.451	S	S	*	.			trans	-76.8	114.5	167.4	50.8	0	0	0	0	108.7	L259 T263	L259-T261 PolarHBondContact O-N 3.39Å; T261-T263 VanDerWaalsContact C-N 3.25Å; T261-T263 PolarHBondContact O-N 3.44Å
262	T	41.6	Very low	61.5	Low	105 Å²	105	94.2 Å²	94.2	64%	0.644	49%	0.49	S	S	*	.			trans	-72.3	87	166.2	49.8	0	0	0	0	108.1	T260 H264	T260-T262 PolarHBondContact O-N 3.02Å; T262-H264 PolarHBondContact O-N 3.23Å
263	T	36.7	Very low	58.5	Low	115 Å²	115	100.4 Å²	100.4	71%	0.706	52%	0.519	S	S	*	.			trans	-61.3	109.1	169.8	44.3	0	0	0	0	108.5	T261 E265	T261-T263 VanDerWaalsContact C-N 3.25Å; T261-T263 PolarHBondContact O-N 3.44Å; T263-E265 PolarHBondContact O-N 2.94Å
264	H	34.7	Very low	55.3	Low	190 Å²	190	107 Å²	107	88%	0.88	56%	0.56	S	S	*	*			trans	-61.7	100.8	174.9	-89.8	-98.3	0	0	0	110.3	T262	T262-H264 PolarHBondContact O-N 3.23Å
265	E	37.7	Very low	52.2	Low	169 Å²	169	111.5 Å²	111.5	79%	0.79	59%	0.591	S	S	*	*			trans	-118.9	132.9	160.5	-68.1	-163.5	149	0	0	110.4	T263	T263-E265 PolarHBondContact O-N 2.94Å
266	S	36.2	Very low	49	Very low	110 Å²	110	115.3 Å²	115.3	77%	0.769	62%	0.623	S	S	*	*	S	Bend	trans	66.5	92.8	171.1	60.7	0	0	0	0	120.3
267	H	36.8	Very low	46.1	Very low	179 Å²	179	125.5 Å²	125.5	83%	0.829	66%	0.663	S	S	*	*			trans	55.8	119.8	131.3	-74.7	-84.6	0	0	0	123.1
268	R	30.5	Very low	43.8	Very low	236 Å²	236	126.7 Å²	126.7	89%	0.891	68%	0.677	S	S	*	*			trans	56.9	77.7	145.2	-72.7	-176.6	156.9	-169.7	-4.8	117.7
269	L	42.3	Very low	42.3	Very low	144 Å²	144	128.6 Å²	128.6	75%	0.754	68%	0.684	S	S	*	*			trans	-128.3	151.2	146.7	-73.8	173.5	0	0	0	110.7
270	T	38.1	Very low	41.7	Very low	110 Å²	110	127.5 Å²	127.5	68%	0.675	69%	0.685	S	S	*	*			trans	-81.9	165.1	-166.3	45.2	0	0	0	0	113.5	E272	T270-E272 PolarHBondContact O-N 3.34Å
271	N	34.5	Very low	42.7	Very low	159 Å²	159	126 Å²	126	85%	0.85	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	29	-170.7	-70.4	-15.6	0	0	0	116.4
272	E	40.3	Very low	44.6	Very low	177 Å²	177	120.8 Å²	120.8	83%	0.827	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	11.9	-176.3	-64.7	-175.4	149.8	0	0	113.5	T270	T270-E272 PolarHBondContact O-N 3.34Å
273	Q	34.8	Very low	47.2	Very low	131 Å²	131	115.8 Å²	115.8	61%	0.612	61%	0.611	S	S	*	*			trans	-121.8	34.5	176.9	-65.3	-171.3	4.4	0	0	114	S275	Q273-S275 PolarHBondContact O-N 2.81Å; Q273-S275 VanDerWaalsContact O-N 3.1Å
274	T	33	Very low	50.1	Low	139 Å²	139	110.3 Å²	110.3	85%	0.853	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	14.6	179.6	44.4	0	0	0	0	115.1
275	S	32.1	Very low	53.1	Low	95 Å²	95	101.2 Å²	101.2	66%	0.664	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	10	176.6	62.4	0	0	0	0	114.3	Q273 Y277	Q273-S275 PolarHBondContact O-N 2.81Å; Q273-S275 VanDerWaalsContact O-N 3.1Å; S275-Y277 PolarHBondContact O-N 3.27Å
276	A	30.3	Very low	55.9	Low	80 Å²	80	93.2 Å²	93.2	66%	0.661	50%	0.498	S	S	*	.			trans	-71.8	69.9	168.6	0	0	0	0	0	111.2	G278	A276-G278 PolarHBondContact O-N 3.34Å; A276-G278 VanDerWaalsContact O-N 3.14Å
277	Y	34.6	Very low	58.9	Low	216 Å²	216	88 Å²	88	85%	0.847	46%	0.461	S	S	*	.			trans	-51.8	120.2	160.7	-91.9	-92.8	0	0	0	107.9	S275 K279	S275-Y277 PolarHBondContact O-N 3.27Å; Y277-K279 PolarHBondContact O-N 3.11Å
278	G	45.4	Very low	61.8	Low	38 Å²	38	79.6 Å²	79.6	39%	0.392	42%	0.423	S	S	.	.			trans	-54.9	138	172.3	0	0	0	0	0	109.4	A276 A280	A276-G278 PolarHBondContact O-N 3.34Å; A276-G278 VanDerWaalsContact O-N 3.14Å; G278-A280 PolarHBondContact O-N 2.96Å
279	K	59	Low	64.9	Low	56 Å²	56	68.4 Å²	68.4	24%	0.243	38%	0.38	C	S	.	.			trans	-51.3	112.7	-179.5	-175.1	-173.9	-170.4	-157.5	0	108.5	Y277 Q281 D370 T675	Y277-K279 PolarHBondContact O-N 3.11Å; K279-Q281 PolarHBondContact O-N 3.44Å; K279-D370 WeakPolarHBondContact CE-OD1 3.49Å; K279-D370 WeakPolarHBondContact CE-OD2 3.37Å; K279-D370 IonicContact NZ-OD1 3.67Å; K279-D370 PolarHBondContact NZ-OD1 3.06Å; K279-D370 IonicContact NZ-OD2 2.82Å; K279-D370 PolarHBondContact NZ-OD2 3.05Å; K279-T675 HydrophobicContact CG-CG2 4.01Å
280	A	75.8	Confident	67.4	Low	49 Å²	49	62 Å²	62	41%	0.405	35%	0.349	S	S	.	.			trans	-63.8	108.6	176.2	0	0	0	0	0	107.6	G278 P371	G278-A280 PolarHBondContact O-N 2.96Å; A280-P371 HydrophobicContact CB-CG 4.48Å; A280-P371 WeakPolarHBondContact O-CD 3.31Å; A280-P371 WeakPolarHBondContact O-CG 3.34Å
281	Q	89.6	Confident	70.1	Confident	37 Å²	37	57.4 Å²	57.4	17%	0.173	32%	0.321	C	S	.	.			trans	-115.1	147.6	-178.6	-173	167.3	57.7	0	0	109.4	V258 K279 L368	V258-Q281 PolarHBondContact N-O 3.22Å; K279-Q281 PolarHBondContact O-N 3.44Å; Q281-L368 HydrophobicContact CG-CD2 4.29Å
282	F	93.8	Very high	73	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.3	-179.8	-68.2	-96	0	0	0	110.3	D174 I255 L256 P257 L368 C369 P371 V661 V663	D174-F282 WeakPolarHBondContact O-CE1 3.14Å; I255-F282 HydrophobicContact CG2-CB 4.16Å; I255-F282 HydrophobicContact CG2-CD1 3.91Å; I255-F282 HydrophobicContact CG2-CG 4.38Å; L256-F282 CarbonylContact O-C 3.6Å; L256-F282 WeakPolarHBondContact O-CA 3.16Å; P257-F282 HydrophobicContact CB-CD1 4.07Å; P257-F282 HydrophobicContact CB-CE1 3.91Å; F282-L368 WeakPolarHBondContact O-CA 3.49Å; F282-C369 VanDerWaalsContact CB-SG 3.52Å; F282-C369 PolarHBondContact N-O 3.38Å; F282-C369 PolarHBondContact O-N 3.44Å; F282-P371 HydrophobicContact CD2-CG 4.49Å; F282-P371 HydrophobicContact CE2-CG 4.19Å; F282-V661 HydrophobicContact CB-CG1 3.66Å; F282-V661 HydrophobicContact CD1-CG1 4.01Å; F282-V661 HydrophobicContact CD2-CG1 3.53Å; F282-V661 HydrophobicContact CE2-CG1 4.13Å; F282-V661 HydrophobicContact CG-CG1 3.46Å; F282-V661 VanDerWaalsContact CG-CG1 3.46Å; F282-V663 HydrophobicContact CE2-CG2 4.43Å; F282-V663 HydrophobicContact CZ-CG2 3.78Å
283	S	94.9	Very high	75.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.7	168.3	57.7	0	0	0	0	108.8	I255 L256 T367	I255-S283 WeakPolarHBondContact CA-O 3.36Å; L256-S283 PolarHBondContact N-O 2.85Å; L256-S283 PolarHBondContact O-N 3.09Å; L256-S283 PolarHBondContact O-OG 2.87Å; S283-T367 WeakPolarHBondContact CA-O 3.49Å
284	V	97	Very high	78.6	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.4	166.1	-167.4	0	0	0	0	107.2	A253 I255 I286 I306 V366 T367 C369 V375	A253-V284 HydrophobicContact CB-CG1 4.04Å; I255-V284 HydrophobicContact CG1-CG1 4.3Å; I255-V284 HydrophobicContact CG1-CG2 4.28Å; V284-I286 HydrophobicContact CG1-CD1 4.26Å; V284-I286 HydrophobicContact CG1-CG1 4.03Å; V284-I306 HydrophobicContact CG1-CD1 4.09Å; V284-V366 WeakPolarHBondContact O-CA 3.47Å; V284-T367 HydrophobicContact CB-CG2 3.98Å; V284-T367 HydrophobicContact CG2-CG2 4.27Å; V284-T367 PolarHBondContact N-O 3.14Å; V284-T367 PolarHBondContact O-N 2.76Å; V284-T367 VanDerWaalsContact O-N 3.08Å; V284-C369 HydrophobicContact CG2-CB 4.28Å; V284-C369 WeakPolarHBondContact CG2-SG 3.21Å; V284-V375 HydrophobicContact CG1-CG1 4.22Å; V284-V375 HydrophobicContact CG1-CG2 4.16Å; V284-V375 HydrophobicContact CG2-CG2 3.66Å
285	V	97.7	Very high	81.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.8	175.8	-175.3	0	0	0	0	108	T222 A225 A226 L229 A253 L254 A365 V366	T222-V285 HydrophobicContact CG2-CG2 3.75Å; A225-V285 HydrophobicContact CB-CB 4.35Å; A225-V285 HydrophobicContact CB-CG1 4.16Å; A225-V285 HydrophobicContact CB-CG2 4.08Å; A226-V285 HydrophobicContact CB-CG1 3.82Å; L229-V285 HydrophobicContact CD1-CG1 4.22Å; A253-V285 CarbonylContact C-O 3.59Å; A253-V285 WeakPolarHBondContact CA-O 3.22Å; L254-V285 PolarHBondContact N-O 2.64Å; L254-V285 PolarHBondContact O-N 2.77Å; V285-A365 CarbonylContact C-O 3.6Å; V285-A365 WeakPolarHBondContact CA-O 3.44Å; V285-V366 HydrophobicContact CG1-CG2 4.44Å; V285-V366 HydrophobicContact CG2-CG2 4.43Å
286	I	98	Very high	84.7	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.1	-176.9	-61.5	-157.2	0	0	0	110.5	V252 A253 V284 A294 I306 T307 C364 A365	V252-I286 VanDerWaalsContact O-CA 3.26Å; V252-I286 WeakPolarHBondContact O-CA 3.27Å; A253-I286 HydrophobicContact CB-CD1 3.92Å; A253-I286 HydrophobicContact CB-CG1 3.85Å; V284-I286 HydrophobicContact CG1-CD1 4.26Å; V284-I286 HydrophobicContact CG1-CG1 4.03Å; I286-A294 HydrophobicContact CD1-CB 3.41Å; I286-A294 VanDerWaalsContact CD1-CB 3.41Å; I286-I306 HydrophobicContact CB-CG2 4.47Å; I286-I306 HydrophobicContact CD1-CB 3.82Å; I286-I306 HydrophobicContact CD1-CD1 3.71Å; I286-I306 HydrophobicContact CD1-CG1 4.4Å; I286-I306 HydrophobicContact CD1-CG2 3.59Å; I286-I306 HydrophobicContact CG1-CG2 3.98Å; I286-T307 HydrophobicContact CG2-CG2 4.46Å; I286-C364 CarbonylContact O-C 3.51Å; I286-C364 WeakPolarHBondContact O-CA 3.41Å; I286-C364 WeakPolarHBondContact O-CB 3.35Å; I286-A365 HydrophobicContact CB-CB 4.35Å; I286-A365 PolarHBondContact N-O 3.41Å; I286-A365 PolarHBondContact O-N 2.9Å
287	A	98.1	Very high	87.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.4	154.1	0	0	0	0	0	108.2	L229 F230 F233 V252 I363	L229-A287 HydrophobicContact CB-CB 3.67Å; L229-A287 HydrophobicContact CD1-CB 4.1Å; F230-A287 HydrophobicContact CD2-CB 3.94Å; F230-A287 HydrophobicContact CE2-CB 3.87Å; F233-A287 HydrophobicContact CD2-CB 4.35Å; F233-A287 HydrophobicContact CE1-CB 4.35Å; F233-A287 HydrophobicContact CE2-CB 3.71Å; F233-A287 HydrophobicContact CZ-CB 3.74Å; F233-A287 WeakPolarHBondContact CZ-O 3.49Å; V252-A287 PolarHBondContact N-O 2.71Å; V252-A287 PolarHBondContact O-N 2.86Å; A287-I363 WeakPolarHBondContact CA-O 3.34Å
288	S	97.8	Very high	90.5	Very high	4 Å²	4	11 Å²	11	3%	0.028	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.9	177.5	-165.3	0	0	0	0	111.8	L250 C251 L362 I363	L250-S288 CarbonylContact O-C 3.57Å; L250-S288 WeakPolarHBondContact O-CA 3.49Å; C251-S288 WeakPolarHBondContact CB-OG 3.25Å; S288-L362 WeakPolarHBondContact O-CA 3.31Å; S288-I363 PolarHBondContact N-O 3.44Å; S288-I363 PolarHBondContact O-N 2.8Å
289	V	96.3	Very high	92.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.6	167.4	68.1	0	0	0	0	108.7	F233 T249 L250 L348 E358 L359 L362	F233-V289 HydrophobicContact CD1-CG1 4.08Å; F233-V289 HydrophobicContact CE1-CB 4.22Å; F233-V289 HydrophobicContact CE1-CG1 3.78Å; T249-V289 WeakPolarHBondContact CB-O 3.31Å; L250-V289 HydrophobicContact CB-CG1 4.25Å; L250-V289 PolarHBondContact N-O 3.03Å; L250-V289 PolarHBondContact O-N 3.01Å; V289-L348 HydrophobicContact CG1-CD1 4.44Å; V289-L348 HydrophobicContact CG1-CD2 4.04Å; V289-L348 HydrophobicContact CG1-CG 3.86Å; V289-E358 WeakPolarHBondContact CG2-O 3.33Å; V289-L359 HydrophobicContact CG2-CD2 4.05Å; V289-L362 HydrophobicContact CB-CB 4.49Å; V289-L362 HydrophobicContact CB-CD1 4.07Å; V289-L362 HydrophobicContact CG2-CB 4.36Å
290	G	94.9	Very high	93.5	Very high	10 Å²	10	15.8 Å²	15.8	10%	0.103	8%	0.083	C	C	.	.	S	Bend	trans	84.9	-157.7	-166.4	0	0	0	0	0	112.3	T344 G346 N361	G290-T344 CarbonylContact C-O 3.58Å; G290-T344 VanDerWaalsContact CA-O 3.24Å; G290-T344 WeakPolarHBondContact CA-O 3.35Å; G290-G346 WeakPolarHBondContact CA-O 3.43Å; G290-G346 PolarHBondContact N-O 3.38Å; G290-N361 PolarHBondContact N-OD1 3.2Å; G290-N361 PolarHBondContact O-ND2 3.24Å
291	D	93.5	Very high	93.9	Very high	14 Å²	14	15.7 Å²	15.7	8%	0.075	7%	0.074	C	C	.	.	S	Bend	trans	-119	15.3	-166.2	61.8	-19.1	0	0	0	114.7	Q293 R339 T344	D291-Q293 PolarHBondContact O-N 3.24Å; D291-R339 IonicContact OD2-CZ 3.45Å; D291-R339 IonicContact OD2-NE 3.1Å; D291-R339 IonicContact OD2-NH2 3.72Å; D291-R339 PolarHBondContact OD2-NH2 3.47Å; D291-T344 WeakPolarHBondContact OD1-CG2 3.43Å
292	C	96.1	Very high	93.9	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.007	7%	0.074	C	C	.	.			trans	-60.7	129.2	160.2	-71.2	0	0	0	0	110	T249 C251 G378	T249-C292 PolarHBondContact OG1-SG 3.49Å; C251-C292 HydrophobicContact CB-CB 3.59Å; C292-G378 CarbonylContact C-O 3.56Å; C292-G378 WeakPolarHBondContact CA-O 3.21Å
293	Q	95.5	Very high	93.9	Very high	16 Å²	16	15.5 Å²	15.5	8%	0.075	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.2	-174.6	-67	171.5	-87.9	0	0	111.8	D291 F295 E305 T307 I377 G378 I383	D291-Q293 PolarHBondContact O-N 3.24Å; Q293-F295 HydrophobicContact CB-CE2 3.66Å; Q293-F295 HydrophobicContact CB-CZ 4.12Å; Q293-E305 WeakPolarHBondContact CG-OE1 3.35Å; Q293-E305 PolarHBondContact NE2-OE1 3.19Å; Q293-T307 WeakPolarHBondContact CA-OG1 3.48Å; Q293-I377 CarbonylContact O-C 3.55Å; Q293-I377 WeakPolarHBondContact O-CA 3.49Å; Q293-G378 PolarHBondContact N-O 3.48Å; Q293-G378 PolarHBondContact O-N 2.71Å; Q293-I383 HydrophobicContact CB-CG1 4.35Å
294	A	97.7	Very high	93.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.9	176.8	0	0	0	0	0	111.5	I286 E305 I306 T307 L376 I377	I286-A294 HydrophobicContact CD1-CB 3.41Å; I286-A294 VanDerWaalsContact CD1-CB 3.41Å; A294-E305 WeakPolarHBondContact O-CG 3.16Å; A294-I306 HydrophobicContact CB-CB 4.34Å; A294-I306 HydrophobicContact CB-CD1 4.43Å; A294-I306 PolarHBondContact O-N 2.93Å; A294-T307 HydrophobicContact CB-CG2 3.94Å; A294-T307 PolarHBondContact N-OG1 2.91Å; A294-T307 PolarHBondContact O-N 2.96Å; A294-T307 PolarHBondContact O-OG1 3.4Å; A294-L376 CarbonylContact C-O 3.56Å; A294-L376 WeakPolarHBondContact CA-O 3.47Å; A294-I377 HydrophobicContact CB-CG1 4Å
295	F	97.2	Very high	93.5	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.018	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.3	-177.8	-59.4	-98.5	0	0	0	110.8	Q293 L297 I303 R304 E305 L376 I383 A552 L555	Q293-F295 HydrophobicContact CB-CE2 3.66Å; Q293-F295 HydrophobicContact CB-CZ 4.12Å; F295-L297 HydrophobicContact CB-CD1 3.86Å; F295-I303 HydrophobicContact CB-CD1 4.25Å; F295-I303 HydrophobicContact CB-CG1 4.29Å; F295-I303 HydrophobicContact CD1-CD1 3.68Å; F295-I303 HydrophobicContact CD1-CG1 3.99Å; F295-I303 HydrophobicContact CE1-CD1 4.38Å; F295-I303 HydrophobicContact CG-CD1 4.2Å; F295-R304 CarbonylContact C-O 3.5Å; F295-R304 WeakPolarHBondContact CA-O 3.47Å; F295-E305 HydrophobicContact CD1-CB 3.73Å; F295-E305 HydrophobicContact CD1-CG 3.71Å; F295-E305 HydrophobicContact CE1-CB 3.69Å; F295-E305 HydrophobicContact CE1-CG 3.46Å; F295-E305 VanDerWaalsContact CE1-CG 3.46Å; F295-E305 HydrophobicContact CE2-CG 4.46Å; F295-E305 HydrophobicContact CG-CG 4.32Å; F295-E305 HydrophobicContact CZ-CG 3.87Å; F295-L376 HydrophobicContact CB-CB 4.37Å; F295-L376 PolarHBondContact N-O 2.96Å; F295-L376 PolarHBondContact O-N 3.28Å; F295-I383 HydrophobicContact CE2-CD1 3.82Å; F295-I383 HydrophobicContact CE2-CG1 4.24Å; F295-I383 HydrophobicContact CE2-CG2 4.2Å; F295-I383 HydrophobicContact CZ-CG2 4.05Å; F295-A552 HydrophobicContact CE1-CB 4.21Å; F295-L555 HydrophobicContact CD2-CD1 4.36Å; F295-L555 HydrophobicContact CE2-CD1 4.4Å
296	L	96	Very high	93.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117	170.3	-178.5	55.5	0	0	0	108.3	I303 R304 I306 T367 C369 D373 V375	L296-I303 CarbonylContact O-C 3.6Å; L296-I303 WeakPolarHBondContact O-CA 3.49Å; L296-R304 PolarHBondContact N-O 2.73Å; L296-R304 PolarHBondContact O-N 2.86Å; L296-I306 HydrophobicContact CB-CD1 4.02Å; L296-I306 HydrophobicContact CB-CG1 4.07Å; L296-T367 HydrophobicContact CD2-CG2 3.69Å; L296-C369 HydrophobicContact CD1-CB 3.84Å; L296-C369 HydrophobicContact CD2-CB 3.75Å; L296-C369 HydrophobicContact CG-CB 4.42Å; L296-D373 HydrophobicContact CD1-CB 3.81Å; L296-V375 HydrophobicContact CD1-CG2 4.09Å
297	L	94.6	Very high	92.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.4	178.8	-80.9	61.2	0	0	0	107.5	F295 I303 D373 I374 L376 L555 W559 L581	F295-L297 HydrophobicContact CB-CD1 3.86Å; L297-I303 HydrophobicContact CD1-CD1 3.93Å; L297-I303 HydrophobicContact CD1-CG1 3.88Å; L297-I303 HydrophobicContact CG-CD1 4.49Å; L297-I303 HydrophobicContact CG-CG1 4.38Å; L297-D373 CarbonylContact O-C 3.56Å; L297-D373 WeakPolarHBondContact O-CA 3.5Å; L297-I374 HydrophobicContact CB-CB 4.2Å; L297-I374 PolarHBondContact N-O 3.46Å; L297-I374 PolarHBondContact O-N 2.84Å; L297-L376 HydrophobicContact CD1-CD1 3.62Å; L297-L376 HydrophobicContact CD1-CG 3.94Å; L297-L376 HydrophobicContact CD2-CD1 3.74Å; L297-L376 HydrophobicContact CD2-CG 4.35Å; L297-L376 HydrophobicContact CG-CD1 4.37Å; L297-L555 HydrophobicContact CD1-CD2 4.21Å; L297-L555 HydrophobicContact CD2-CD2 4.04Å; L297-W559 HydrophobicContact CB-CD2 4.31Å; L297-W559 HydrophobicContact CB-CE3 3.9Å; L297-W559 HydrophobicContact CB-CH2 3.92Å; L297-W559 HydrophobicContact CB-CZ2 4.33Å; L297-W559 HydrophobicContact CB-CZ3 3.69Å; L297-W559 HydrophobicContact CD2-CB 4.13Å; L297-W559 HydrophobicContact CD2-CD2 3.72Å; L297-W559 HydrophobicContact CD2-CE3 3.77Å; L297-W559 HydrophobicContact CD2-CG 3.89Å; L297-W559 HydrophobicContact CD2-CZ3 4.44Å; L297-W559 HydrophobicContact CG-CD2 4.27Å; L297-W559 HydrophobicContact CG-CE3 3.82Å; L297-W559 HydrophobicContact CG-CZ3 4.08Å; L297-L581 HydrophobicContact CD2-CD2 4.25Å
298	S	91.3	Very high	92.1	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.3	-179.1	-176.3	0	0	0	0	110.6	F300 H301 G302 D373	S298-F300 PolarHBondContact O-N 2.95Å; S298-H301 PolarHBondContact O-N 3.39Å; S298-H301 PolarHBondContact OG-ND1 2.94Å; S298-G302 PolarHBondContact N-O 2.95Å; S298-G302 CarbonylContact O-C 3.59Å; S298-G302 VanDerWaalsContact O-CA 3.27Å; S298-G302 WeakPolarHBondContact O-CA 3.26Å; S298-G302 PolarHBondContact O-N 2.87Å; S298-D373 WeakPolarHBondContact CA-OD1 3.41Å; S298-D373 WeakPolarHBondContact CB-OD1 3.19Å; S298-D373 PolarHBondContact OG-OD1 3.45Å; S298-D373 PolarHBondContact OG-OD2 2.85Å
299	K	84.2	Confident	90.9	Very high	97 Å²	97	23.7 Å²	23.7	42%	0.422	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.4	-179.4	-67.7	-169.9	-178.6	-171.6	0	112.8	W559 E674	K299-W559 HydrophobicContact CG-CH2 4.35Å; K299-W559 HydrophobicContact CG-CZ2 4.26Å; K299-E674 VanDerWaalsContact CD-OE1 3.27Å; K299-E674 WeakPolarHBondContact CD-OE1 3.43Å; K299-E674 WeakPolarHBondContact CE-OE1 3.38Å; K299-E674 IonicContact NZ-OE1 2.96Å; K299-E674 PolarHBondContact NZ-OE1 3.09Å
300	F	82.7	Confident	89.9	Confident	97 Å²	97	24.7 Å²	24.7	43%	0.425	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-24.7	-175.3	-56	-69.1	0	0	0	113.4	S298 E674 A676	S298-F300 PolarHBondContact O-N 2.95Å; F300-E674 HydrophobicContact CE2-CG 4.35Å; F300-E674 HydrophobicContact CZ-CB 4.1Å; F300-E674 HydrophobicContact CZ-CG 4.06Å; F300-A676 HydrophobicContact CD1-CB 3.74Å; F300-A676 HydrophobicContact CD2-CB 3.95Å; F300-A676 HydrophobicContact CE1-CB 3.31Å; F300-A676 HydrophobicContact CE2-CB 3.54Å; F300-A676 HydrophobicContact CG-CB 4.05Å; F300-A676 HydrophobicContact CZ-CB 3.21Å
301	H	85.2	Confident	88.5	Confident	48 Å²	48	32.2 Å²	32.2	22%	0.222	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	8.3	-170.9	-44.7	107.1	0	0	0	112.9	S70 C72 S298 D370	S70-H301 WeakPolarHBondContact CB-NE2 3.06Å; S70-H301 PolarHBondContact OG-CE1 3.49Å; S70-H301 PolarHBondContact OG-NE2 3.49Å; C72-H301 PolarHBondContact SG-CD2 3.26Å; S298-H301 PolarHBondContact O-N 3.39Å; S298-H301 PolarHBondContact OG-ND1 2.94Å; H301-D370 IonicContact CE1-OD2 3.29Å
302	G	89.9	Confident	86.8	Confident	16 Å²	16	35.2 Å²	35.2	17%	0.165	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.1	-164.4	-175.4	0	0	0	0	0	113.9	S298 E556	S298-G302 PolarHBondContact N-O 2.95Å; S298-G302 CarbonylContact O-C 3.59Å; S298-G302 VanDerWaalsContact O-CA 3.27Å; S298-G302 WeakPolarHBondContact O-CA 3.26Å; S298-G302 PolarHBondContact O-N 2.87Å; G302-E556 WeakPolarHBondContact CA-OE1 3.46Å
303	I	92.7	Very high	84.4	Confident	17 Å²	17	39.8 Å²	39.8	9%	0.087	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.8	168.5	-167.8	167.4	0	0	0	111.6	F295 L296 L297 A552 K553 L555 E556	F295-I303 HydrophobicContact CB-CD1 4.25Å; F295-I303 HydrophobicContact CB-CG1 4.29Å; F295-I303 HydrophobicContact CD1-CD1 3.68Å; F295-I303 HydrophobicContact CD1-CG1 3.99Å; F295-I303 HydrophobicContact CE1-CD1 4.38Å; F295-I303 HydrophobicContact CG-CD1 4.2Å; L296-I303 CarbonylContact O-C 3.6Å; L296-I303 WeakPolarHBondContact O-CA 3.49Å; L297-I303 HydrophobicContact CD1-CD1 3.93Å; L297-I303 HydrophobicContact CD1-CG1 3.88Å; L297-I303 HydrophobicContact CG-CD1 4.49Å; L297-I303 HydrophobicContact CG-CG1 4.38Å; I303-A552 HydrophobicContact CD1-CB 4.21Å; I303-A552 WeakPolarHBondContact CD1-O 3.12Å; I303-A552 HydrophobicContact CG2-CB 4.09Å; I303-K553 HydrophobicContact CG2-CD 4.41Å; I303-L555 HydrophobicContact CD1-CB 4Å; I303-L555 HydrophobicContact CD1-CD1 4.43Å; I303-L555 HydrophobicContact CD1-CD2 3.83Å; I303-L555 HydrophobicContact CD1-CG 4.28Å; I303-E556 HydrophobicContact CB-CB 4.14Å; I303-E556 HydrophobicContact CB-CG 4.45Å; I303-E556 HydrophobicContact CG2-CB 3.81Å; I303-E556 HydrophobicContact CG2-CG 4.27Å; I303-E556 PolarHBondContact N-OE1 2.81Å
304	R	90.7	Very high	81.8	Confident	34 Å²	34	41.6 Å²	41.6	13%	0.128	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.6	165.2	-65.8	-174.8	-54	-61	10.3	109.2	C72 V74 F295 L296	C72-R304 WeakPolarHBondContact O-CD 3.46Å; C72-R304 PolarHBondContact O-NE 2.78Å; V74-R304 HydrophobicContact CG2-CB 4.4Å; F295-R304 CarbonylContact C-O 3.5Å; F295-R304 WeakPolarHBondContact CA-O 3.47Å; L296-R304 PolarHBondContact N-O 2.73Å; L296-R304 PolarHBondContact O-N 2.86Å
305	E	92.9	Very high	79	Confident	23 Å²	23	49.1 Å²	49.1	11%	0.107	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.4	170.9	-164.8	-173.5	-176.8	0	0	110.3	R76 Q293 A294 F295 T307 R548	R76-E305 PolarHBondContact NH2-O 2.7Å; Q293-E305 WeakPolarHBondContact CG-OE1 3.35Å; Q293-E305 PolarHBondContact NE2-OE1 3.19Å; A294-E305 WeakPolarHBondContact O-CG 3.16Å; F295-E305 HydrophobicContact CD1-CB 3.73Å; F295-E305 HydrophobicContact CD1-CG 3.71Å; F295-E305 HydrophobicContact CE1-CB 3.69Å; F295-E305 HydrophobicContact CE1-CG 3.46Å; F295-E305 VanDerWaalsContact CE1-CG 3.46Å; F295-E305 HydrophobicContact CE2-CG 4.46Å; F295-E305 HydrophobicContact CG-CG 4.32Å; F295-E305 HydrophobicContact CZ-CG 3.87Å; E305-T307 WeakPolarHBondContact CG-O 3.12Å; E305-T307 PolarHBondContact OE1-OG1 3.23Å; E305-R548 IonicContact OE1-CZ 2.8Å; E305-R548 IonicContact OE1-NE 3.35Å; E305-R548 IonicContact OE1-NH2 2.69Å; E305-R548 PolarHBondContact OE1-NH2 3.13Å; E305-R548 IonicContact OE2-CZ 3.81Å; E305-R548 IonicContact OE2-NE 2.7Å; E305-R548 PolarHBondContact OE2-NE 2.71Å; E305-R548 IonicContact OE2-NH2 3.81Å; E305-R548 PolarHBondContact OE2-NH2 2.85Å; E305-R548 VanDerWaalsContact OE2-NH2 3.1Å
306	I	94.4	Very high	75.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-86.2	-47.5	-178.4	-45.5	170	0	0	0	109.8	V74 R76 V284 I286 A294 L296 G308 A365 T367	V74-I306 HydrophobicContact CG1-CG2 4.03Å; R76-I306 PolarHBondContact NE-O 2.86Å; V284-I306 HydrophobicContact CG1-CD1 4.09Å; I286-I306 HydrophobicContact CB-CG2 4.47Å; I286-I306 HydrophobicContact CD1-CB 3.82Å; I286-I306 HydrophobicContact CD1-CD1 3.71Å; I286-I306 HydrophobicContact CD1-CG1 4.4Å; I286-I306 HydrophobicContact CD1-CG2 3.59Å; I286-I306 HydrophobicContact CG1-CG2 3.98Å; A294-I306 HydrophobicContact CB-CB 4.34Å; A294-I306 HydrophobicContact CB-CD1 4.43Å; A294-I306 PolarHBondContact O-N 2.93Å; L296-I306 HydrophobicContact CB-CD1 4.02Å; L296-I306 HydrophobicContact CB-CG1 4.07Å; I306-G308 PolarHBondContact O-N 3.27Å; I306-A365 HydrophobicContact CG2-CB 3.93Å; I306-T367 HydrophobicContact CD1-CG2 4.2Å; I306-T367 HydrophobicContact CG1-CG2 4.17Å; I306-T367 HydrophobicContact CG2-CG2 4.24Å
307	T	90.2	Very high	72.6	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.037	29%	0.292	C	S	.	.	S	Bend	trans	-71.5	121.1	171.3	46.5	0	0	0	0	110.1	I286 Q293 A294 E305 R548	I286-T307 HydrophobicContact CG2-CG2 4.46Å; Q293-T307 WeakPolarHBondContact CA-OG1 3.48Å; A294-T307 HydrophobicContact CB-CG2 3.94Å; A294-T307 PolarHBondContact N-OG1 2.91Å; A294-T307 PolarHBondContact O-N 2.96Å; A294-T307 PolarHBondContact O-OG1 3.4Å; E305-T307 WeakPolarHBondContact CG-O 3.12Å; E305-T307 PolarHBondContact OE1-OG1 3.23Å; T307-R548 PolarHBondContact O-NH2 3.28Å; T307-R548 VanDerWaalsContact O-NH2 3.09Å
308	G	80.6	Confident	69.9	Low	12 Å²	12	62 Å²	62	12%	0.124	33%	0.327	C	S	.	.			trans	-156.6	166.6	179.9	0	0	0	0	0	110.6	I306 V310	I306-G308 PolarHBondContact O-N 3.27Å; G308-V310 PolarHBondContact O-N 2.93Å
309	W	72.5	Confident	67.2	Low	101 Å²	101	69.9 Å²	69.9	38%	0.383	37%	0.369	S	S	.	.			trans	-61	139.1	176.1	177.8	66.1	0	0	0	111.3	R311 P336 P337	W309-R311 HydrophobicContact CE3-CG 3.97Å; W309-R311 HydrophobicContact CH2-CB 4.26Å; W309-R311 HydrophobicContact CH2-CG 3.44Å; W309-R311 VanDerWaalsContact CH2-CG 3.44Å; W309-R311 HydrophobicContact CZ2-CG 4.24Å; W309-R311 HydrophobicContact CZ3-CB 4.35Å; W309-R311 HydrophobicContact CZ3-CG 3.25Å; W309-P336 HydrophobicContact CB-CB 3.82Å; W309-P336 HydrophobicContact CD2-CB 3.83Å; W309-P336 HydrophobicContact CE3-CB 3.7Å; W309-P336 HydrophobicContact CG-CB 3.9Å; W309-P336 HydrophobicContact CZ3-CB 4.37Å; W309-P337 VanDerWaalsContact NE1-CD 3.26Å
310	V	74.6	Confident	64.9	Low	21 Å²	21	72.2 Å²	72.2	13%	0.127	39%	0.386	C	S	.	.			trans	-104.2	125.9	172.3	175.3	0	0	0	0	107.6	R76 L78 G308 T312 I363	R76-V310 HydrophobicContact CB-CG2 3.59Å; L78-V310 HydrophobicContact CD2-CB 3.88Å; L78-V310 HydrophobicContact CD2-CG1 3.78Å; L78-V310 HydrophobicContact CG-CG1 3.9Å; G308-V310 PolarHBondContact O-N 2.93Å; V310-T312 PolarHBondContact O-N 3.44Å; V310-I363 HydrophobicContact CB-CG2 4.35Å; V310-I363 HydrophobicContact CG2-CB 4.3Å; V310-I363 HydrophobicContact CG2-CG2 3.57Å
311	R	65	Low	62.5	Low	168 Å²	168	72.6 Å²	72.6	63%	0.634	40%	0.4	S	S	*	.			trans	-63.4	107.3	170.5	-79.5	179	-176.3	-117.2	0.1	108.7	W309 S313	W309-R311 HydrophobicContact CE3-CG 3.97Å; W309-R311 HydrophobicContact CH2-CB 4.26Å; W309-R311 HydrophobicContact CH2-CG 3.44Å; W309-R311 VanDerWaalsContact CH2-CG 3.44Å; W309-R311 HydrophobicContact CZ2-CG 4.24Å; W309-R311 HydrophobicContact CZ3-CB 4.35Å; W309-R311 HydrophobicContact CZ3-CG 3.25Å; R311-S313 VanDerWaalsContact C-N 3.27Å; R311-S313 PolarHBondContact O-N 3.27Å
312	T	59	Low	60.1	Low	78 Å²	78	76.2 Å²	76.2	48%	0.479	43%	0.426	S	S	.	.			trans	-71.8	87.3	164.5	-51.9	0	0	0	0	108.2	L78 V310	L78-T312 HydrophobicContact CD1-CG2 4.42Å; V310-T312 PolarHBondContact O-N 3.44Å
313	S	46.5	Very low	57.5	Low	97 Å²	97	83.4 Å²	83.4	68%	0.678	46%	0.455	S	S	*	.			trans	-64.7	145.3	159.9	53.3	0	0	0	0	108.9	R311	R311-S313 VanDerWaalsContact C-N 3.27Å; R311-S313 PolarHBondContact O-N 3.27Å
314	V	40.9	Very low	54.8	Low	54 Å²	54	85.5 Å²	85.5	33%	0.327	47%	0.471	S	S	.	.			trans	77.5	69.7	177.6	-159.6	0	0	0	0	115.1
315	L	37.5	Very low	52.4	Low	157 Å²	157	91.2 Å²	91.2	82%	0.822	50%	0.504	S	S	*	.	S	Bend	trans	-106.6	4.4	141.5	-98.8	171.7	0	0	0	113.4
316	S	28.1	Very low	50.1	Low	67 Å²	67	97.2 Å²	97.2	47%	0.469	53%	0.532	S	S	.	.	S	Bend	trans	-139	57.8	-177.6	71.4	0	0	0	0	114.9	E331	S316-E331 WeakPolarHBondContact CB-OE1 3.47Å; S316-E331 PolarHBondContact OG-OE1 2.96Å; S316-E331 PolarHBondContact OG-OE2 2.92Å
317	S	32.1	Very low	47.4	Very low	69 Å²	69	103.1 Å²	103.1	48%	0.483	56%	0.56	S	S	.	*	S	Bend	trans	-151.7	146.2	153.8	64.5	0	0	0	0	109.7
318	D	36.5	Very low	45	Very low	140 Å²	140	106.5 Å²	106.5	75%	0.749	58%	0.584	S	S	*	*	S	Bend	trans	76.5	76.6	-179.2	-45.5	-22.5	0	0	0	115.5
319	N	34.7	Very low	43.1	Very low	165 Å²	165	113.3 Å²	113.3	88%	0.882	61%	0.61	S	S	*	*	S	Bend	trans	147.1	18.6	145.7	-73.1	-32.7	0	0	0	116.4
320	L	35.8	Very low	41.4	Very low	147 Å²	147	113.9 Å²	113.9	77%	0.77	62%	0.62	S	S	*	*			trans	-135.3	88.9	157.8	-150.3	69.1	0	0	0	111.6
321	S	32.3	Very low	39.7	Very low	104 Å²	104	116.8 Å²	116.8	73%	0.727	63%	0.632	S	S	*	*			trans	-64.9	143.1	153.3	50.3	0	0	0	0	108.6
322	T	35.3	Very low	38.7	Very low	125 Å²	125	117.1 Å²	117.1	77%	0.767	64%	0.638	S	S	*	*	S	Bend	trans	63.3	76.9	178.9	65.3	0	0	0	0	116.4
323	Q	36.2	Very low	38.2	Very low	167 Å²	167	120.8 Å²	120.8	78%	0.78	65%	0.65	S	S	*	*	S	Bend		-177.4	142.3	123.2	-98.8	167.7	24.9	0	0	112.9
324	S	34.9	Very low	38.5	Very low	61 Å²	61	121.7 Å²	121.7	43%	0.427	65%	0.647	S	S	.	*			trans	62.6	128.6	172.3	83.7	0	0	0	0	118.5
325	N	41.3	Very low	39.3	Very low	153 Å²	153	120.8 Å²	120.8	82%	0.818	65%	0.648	S	S	*	*	S	Bend	trans	-80.1	-2.4	164.1	-77.8	-36.8	0	0	0	112.2	S328	N325-S328 PolarHBondContact O-OG 3.15Å
326	E	44.8	Very low	40.6	Very low	149 Å²	149	115 Å²	115	70%	0.696	62%	0.62	S	S	*	*	S	Bend	trans	-82.2	-37.3	-165.1	-66.3	168.8	143.6	0	0	112.9	S328 K329 L330	E326-S328 PolarHBondContact O-N 2.91Å; E326-K329 VanDerWaalsContact O-CB 3.27Å; E326-K329 WeakPolarHBondContact O-CB 3.47Å; E326-K329 PolarHBondContact O-N 2.89Å; E326-L330 PolarHBondContact O-N 3.35Å
327	Q	37.1	Very low	42.5	Very low	124 Å²	124	115.8 Å²	115.8	58%	0.579	62%	0.624	S	S	*	*	H	α-helix	trans	-63	-28.5	179.8	-80	165.1	-22.6	0	0	113.3	K329 L330 E331	Q327-K329 VanDerWaalsContact C-N 3.25Å; Q327-K329 PolarHBondContact O-N 2.97Å; Q327-L330 PolarHBondContact O-N 2.85Å; Q327-E331 PolarHBondContact O-N 2.91Å
328	S	38.6	Very low	44.3	Very low	78 Å²	78	118.1 Å²	118.1	55%	0.545	64%	0.635	S	S	.	*	H	α-helix	trans	-71.1	-18.6	174.1	77.8	0	0	0	0	114.2	N325 E326	N325-S328 PolarHBondContact O-OG 3.15Å; E326-S328 PolarHBondContact O-N 2.91Å
329	K	40.9	Very low	46	Very low	154 Å²	154	113.1 Å²	113.1	67%	0.67	61%	0.605	S	S	*	*	H	α-helix	trans	-81.4	-44.9	172.7	-122.2	-175.9	176.5	-166.6	0	110.2	E326 Q327 E331 K332 E333	E326-K329 VanDerWaalsContact O-CB 3.27Å; E326-K329 WeakPolarHBondContact O-CB 3.47Å; E326-K329 PolarHBondContact O-N 2.89Å; Q327-K329 VanDerWaalsContact C-N 3.25Å; Q327-K329 PolarHBondContact O-N 2.97Å; K329-E331 PolarHBondContact O-N 2.91Å; K329-K332 PolarHBondContact O-N 2.9Å; K329-E333 PolarHBondContact O-N 2.93Å
330	L	38.5	Very low	48.1	Very low	113 Å²	113	108.3 Å²	108.3	59%	0.592	58%	0.58	S	S	*	*	H	α-helix	trans	-60	-43.1	-177.1	-143.3	76.8	0	0	0	113	E326 Q327 K332 E333 L334	E326-L330 PolarHBondContact O-N 3.35Å; Q327-L330 PolarHBondContact O-N 2.85Å; L330-K332 PolarHBondContact O-N 2.77Å; L330-E333 PolarHBondContact O-N 2.95Å; L330-L334 PolarHBondContact O-N 3.05Å
331	E	39	Very low	50.2	Low	83 Å²	83	102.9 Å²	102.9	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-67	-20	176.6	-74.1	-164.1	-175.9	0	0	113.9	S316 Q327 K329	S316-E331 WeakPolarHBondContact CB-OE1 3.47Å; S316-E331 PolarHBondContact OG-OE1 2.96Å; S316-E331 PolarHBondContact OG-OE2 2.92Å; Q327-E331 PolarHBondContact O-N 2.91Å; K329-E331 PolarHBondContact O-N 2.91Å
332	K	43.8	Very low	52.5	Low	174 Å²	174	108.1 Å²	108.1	76%	0.757	55%	0.554	S	S	*	*	H	α-helix	trans	-84.5	-25.2	177.7	-89.1	179.1	174.9	175.9	0	113.5	K329 L330	K329-K332 PolarHBondContact O-N 2.9Å; L330-K332 PolarHBondContact O-N 2.77Å
333	E	46.9	Very low	54.9	Low	156 Å²	156	106.3 Å²	106.3	73%	0.729	54%	0.54	S	S	*	.	H	α-helix	trans	-94.4	-19.8	179.3	-69.3	-172	157.1	0	0	113.7	K329 L330 G335	K329-E333 PolarHBondContact O-N 2.93Å; L330-E333 PolarHBondContact O-N 2.95Å; E333-G335 PolarHBondContact O-N 2.94Å
334	L	54.5	Low	57.3	Low	115 Å²	115	99.5 Å²	99.5	60%	0.602	51%	0.509	S	S	*	.			trans	-65	101.1	173.5	-106	70.4	0	0	0	111.5	L330	L330-L334 PolarHBondContact O-N 3.05Å
335	G	57.6	Low	59.7	Low	35 Å²	35	97.6 Å²	97.6	36%	0.361	50%	0.499	S	S	.	.			trans	-62.3	-177.8	163.7	0	0	0	0	0	112.5	E333	E333-G335 PolarHBondContact O-N 2.94Å
336	P	63.6	Low	62.2	Low	36 Å²	36	90.3 Å²	90.3	23%	0.234	46%	0.46	C	S	.	.	S	Bend	trans	-54.4	134.8	174.9	24.3	-33.8	0	0	0	110.3	W309 V338	W309-P336 HydrophobicContact CB-CB 3.82Å; W309-P336 HydrophobicContact CD2-CB 3.83Å; W309-P336 HydrophobicContact CE3-CB 3.7Å; W309-P336 HydrophobicContact CG-CB 3.9Å; W309-P336 HydrophobicContact CZ3-CB 4.37Å; P336-V338 PolarHBondContact O-N 2.94Å
337	P	68.5	Low	64.6	Low	83 Å²	83	83.4 Å²	83.4	54%	0.539	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-59.4	141.9	-175.8	25.8	-34.7	0	0	0	110.2	W309 R339 W544	W309-P337 VanDerWaalsContact NE1-CD 3.26Å; P337-R339 PolarHBondContact O-N 3.39Å; P337-W544 VanDerWaalsContact O-CD1 3.26Å; P337-W544 PolarHBondContact O-NE1 3.32Å; P337-W544 VanDerWaalsContact O-NE1 3.16Å
338	V	70.6	Confident	67.5	Low	119 Å²	119	77.5 Å²	77.5	72%	0.721	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-60.4	120	176.5	-177.5	0	0	0	0	108.6	P336 D340	P336-V338 PolarHBondContact O-N 2.94Å; V338-D340 PolarHBondContact O-N 3.45Å
339	R	72	Confident	70.3	Confident	34 Å²	34	73.8 Å²	73.8	13%	0.128	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-74.8	125	175.2	178.1	168.9	168.5	-102.5	4.1	110.3	D291 P337 D380 D384 W544	D291-R339 IonicContact OD2-CZ 3.45Å; D291-R339 IonicContact OD2-NE 3.1Å; D291-R339 IonicContact OD2-NH2 3.72Å; D291-R339 PolarHBondContact OD2-NH2 3.47Å; P337-R339 PolarHBondContact O-N 3.39Å; R339-D380 IonicContact NH2-OD2 2.65Å; R339-D384 IonicContact CZ-OD1 2.67Å; R339-D384 IonicContact NH1-OD1 3.13Å; R339-D384 PolarHBondContact NH1-OD1 2.89Å; R339-D384 IonicContact NH1-OD2 3.14Å; R339-D384 IonicContact NH2-OD1 2.71Å; R339-D384 PolarHBondContact NH2-OD1 3.03Å; R339-D384 IonicContact NH2-OD2 2.7Å; R339-W544 HydrophobicContact CB-CD2 4.43Å; R339-W544 HydrophobicContact CB-CE3 4.44Å; R339-W544 HydrophobicContact CB-CH2 3.48Å; R339-W544 VanDerWaalsContact CB-CH2 3.48Å; R339-W544 HydrophobicContact CB-CZ2 3.36Å; R339-W544 HydrophobicContact CB-CZ3 4.02Å; R339-W544 HydrophobicContact CG-CH2 4.19Å; R339-W544 HydrophobicContact CG-CZ2 4.33Å
340	D	77.1	Confident	72.9	Confident	65 Å²	65	68.4 Å²	68.4	35%	0.348	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-78.8	126.1	160	-171.2	-20.1	0	0	0	108.8	V338 R342 D343	V338-D340 PolarHBondContact O-N 3.45Å; D340-R342 PolarHBondContact O-N 3.21Å; D340-R342 WeakPolarHBondContact OD1-CB 3.34Å; D340-R342 WeakPolarHBondContact OD1-CG 3.27Å; D340-R342 IonicContact OD1-CZ 2.69Å; D340-R342 PolarHBondContact OD1-N 3.02Å; D340-R342 IonicContact OD1-NE 3.77Å; D340-R342 PolarHBondContact OD1-NE 2.75Å; D340-R342 IonicContact OD1-NH2 3.28Å; D340-R342 IonicContact OD2-CZ 3.28Å; D340-R342 VanDerWaalsContact OD2-CZ 3.31Å; D340-R342 IonicContact OD2-NE 2.75Å; D340-R342 PolarHBondContact OD2-NE 3.18Å; D340-R342 IonicContact OD2-NH2 3.79Å; D340-R342 PolarHBondContact OD2-NH2 3.2Å; D340-D343 HydrophobicContact CB-CB 4.17Å; D340-D343 PolarHBondContact O-N 2.96Å; D340-D343 VanDerWaalsContact O-N 3.12Å; D340-D343 VanDerWaalsContact O-O 3.13Å
341	F	80	Confident	75.4	Confident	32 Å²	32	65.3 Å²	65.3	14%	0.14	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	1.9	-179.9	-70.2	-99.2	0	0	0	113.8	D384 D387 I390 W544 K650	F341-D384 HydrophobicContact CD1-CB 4.15Å; F341-D384 VanDerWaalsContact CD1-CG 3.47Å; F341-D384 WeakPolarHBondContact CD1-OD1 3.34Å; F341-D384 HydrophobicContact CE1-CB 4.29Å; F341-D384 WeakPolarHBondContact CE1-OD1 3.27Å; F341-D387 HydrophobicContact CE1-CB 4.3Å; F341-D387 HydrophobicContact CZ-CB 4.42Å; F341-I390 HydrophobicContact CD1-CD1 3.86Å; F341-I390 HydrophobicContact CD1-CG1 4.01Å; F341-I390 HydrophobicContact CE1-CD1 4.12Å; F341-I390 HydrophobicContact CE1-CG1 3.8Å; F341-I390 HydrophobicContact CG-CD1 4.15Å; F341-I390 HydrophobicContact CZ-CG1 4.36Å; F341-W544 HydrophobicContact CE2-CZ3 4.21Å; F341-W544 AromaticContact CZ-CZ3 3.86Å; F341-W544 HydrophobicContact CZ-CZ3 3.86Å; F341-K650 PolarHBondContact O-NZ 2.91Å
342	R	81.8	Confident	77.9	Confident	214 Å²	214	66.2 Å²	66.2	81%	0.808	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-9.6	177	-52.6	170.6	-63.8	165.2	5.7	112.5	D340	D340-R342 PolarHBondContact O-N 3.21Å; D340-R342 WeakPolarHBondContact OD1-CB 3.34Å; D340-R342 WeakPolarHBondContact OD1-CG 3.27Å; D340-R342 IonicContact OD1-CZ 2.69Å; D340-R342 PolarHBondContact OD1-N 3.02Å; D340-R342 IonicContact OD1-NE 3.77Å; D340-R342 PolarHBondContact OD1-NE 2.75Å; D340-R342 IonicContact OD1-NH2 3.28Å; D340-R342 IonicContact OD2-CZ 3.28Å; D340-R342 VanDerWaalsContact OD2-CZ 3.31Å; D340-R342 IonicContact OD2-NE 2.75Å; D340-R342 PolarHBondContact OD2-NE 3.18Å; D340-R342 IonicContact OD2-NH2 3.79Å; D340-R342 PolarHBondContact OD2-NH2 3.2Å
343	D	85.6	Confident	80	Confident	88 Å²	88	69 Å²	69	47%	0.471	36%	0.358	S	S	.	.			trans	-115.5	118.2	179	-177.4	14.7	0	0	0	110	D340 G345	D340-D343 HydrophobicContact CB-CB 4.17Å; D340-D343 PolarHBondContact O-N 2.96Å; D340-D343 VanDerWaalsContact O-N 3.12Å; D340-D343 VanDerWaalsContact O-O 3.13Å; D343-G345 PolarHBondContact O-N 2.84Å; D343-G345 PolarHBondContact OD1-N 3.03Å
344	T	87	Confident	82	Confident	24 Å²	24	67 Å²	67	15%	0.147	35%	0.352	C	S	.	.			trans	-68.8	-19.6	175.1	62.4	0	0	0	0	112.5	V184 T249 G290 D291 G346 N361	V184-T344 HydrophobicContact CG2-CG2 4.4Å; T249-T344 HydrophobicContact CG2-CG2 3.74Å; G290-T344 CarbonylContact C-O 3.58Å; G290-T344 VanDerWaalsContact CA-O 3.24Å; G290-T344 WeakPolarHBondContact CA-O 3.35Å; D291-T344 WeakPolarHBondContact OD1-CG2 3.43Å; T344-G346 PolarHBondContact O-N 2.92Å; T344-G346 PolarHBondContact OG1-O 3.41Å; T344-N361 PolarHBondContact O-ND2 3.47Å
345	G	85.5	Confident	83.7	Confident	20 Å²	20	62.5 Å²	62.5	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	71.8	0.2	-176.9	0	0	0	0	0	115.2	D343 N361	D343-G345 PolarHBondContact O-N 2.84Å; D343-G345 PolarHBondContact OD1-N 3.03Å; G345-N361 VanDerWaalsContact C-CG 3.44Å; G345-N361 VanDerWaalsContact C-ND2 3.34Å; G345-N361 PolarHBondContact O-N 3.43Å; G345-N361 PolarHBondContact O-OD1 2.98Å
346	G	92.1	Very high	85.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.			trans	173.1	146.5	178.3	0	0	0	0	0	112.2	G290 T344 E358 N361	G290-G346 WeakPolarHBondContact CA-O 3.43Å; G290-G346 PolarHBondContact N-O 3.38Å; T344-G346 PolarHBondContact O-N 2.92Å; T344-G346 PolarHBondContact OG1-O 3.41Å; G346-E358 CarbonylContact C-O 3.47Å; G346-E358 VanDerWaalsContact CA-O 3.31Å; G346-E358 WeakPolarHBondContact CA-O 3.39Å; G346-N361 WeakPolarHBondContact CA-OD1 3.23Å
347	A	96.8	Very high	86.9	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.033	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-153.8	145.5	-177.8	0	0	0	0	0	112.4	V184 L247 V351 P357 E358	V184-A347 HydrophobicContact CG2-CB 4.1Å; L247-A347 HydrophobicContact CB-CB 4.26Å; A347-V351 HydrophobicContact CB-CG2 4.12Å; A347-V351 WeakPolarHBondContact O-CG2 3.43Å; A347-P357 WeakPolarHBondContact O-CA 3.4Å; A347-P357 VanDerWaalsContact O-CB 3.31Å; A347-P357 WeakPolarHBondContact O-CB 3.42Å; A347-E358 PolarHBondContact N-O 2.86Å; A347-E358 PolarHBondContact O-N 2.89Å
348	L	97.8	Very high	88.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-82.2	158.8	163.6	-57.3	-176.3	0	0	0	110.9	A236 I240 L247 T248 L250 V289 P357 L359	A236-L348 HydrophobicContact CB-CD1 4.18Å; I240-L348 HydrophobicContact CD1-CB 3.55Å; I240-L348 HydrophobicContact CD1-CD1 4.11Å; L247-L348 CarbonylContact C-O 3.42Å; L247-L348 VanDerWaalsContact CA-O 3.24Å; L247-L348 WeakPolarHBondContact CA-O 3.33Å; T248-L348 HydrophobicContact CG2-CB 4.22Å; T248-L348 PolarHBondContact N-O 3.25Å; T248-L348 PolarHBondContact O-N 2.9Å; L250-L348 HydrophobicContact CB-CD1 3.9Å; L250-L348 HydrophobicContact CD2-CD1 3.62Å; L250-L348 HydrophobicContact CG-CD1 4.43Å; V289-L348 HydrophobicContact CG1-CD1 4.44Å; V289-L348 HydrophobicContact CG1-CD2 4.04Å; V289-L348 HydrophobicContact CG1-CG 3.86Å; L348-P357 HydrophobicContact CD2-CB 3.92Å; L348-P357 HydrophobicContact CD2-CG 4.48Å; L348-L359 HydrophobicContact CD2-CD2 4.15Å
349	G	96.9	Very high	89.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	104.1	-176.9	-168.6	0	0	0	0	0	112.2	Q237 V351 N356	Q237-G349 PolarHBondContact NE2-O 2.81Å; G349-V351 VanDerWaalsContact C-N 3.26Å; G349-V351 PolarHBondContact O-N 2.91Å; G349-N356 CarbonylContact O-C 3.6Å
350	A	94.8	Very high	89.9	Confident	42 Å²	42	58 Å²	58	35%	0.347	29%	0.292	S	S	.	.	S	Bend	trans	-82.2	62.7	-175.8	0	0	0	0	0	112.3	V241	V241-A350 HydrophobicContact CG2-CB 4.28Å
351	V	91.9	Very high	90.5	Very high	48 Å²	48	57.3 Å²	57.3	29%	0.291	29%	0.288	S	S	.	.			trans	-60.8	-46.7	-178.8	-172.9	0	0	0	0	110.7	L247 A347 G349 N356 E358	L247-V351 HydrophobicContact CD1-CG2 4.08Å; L247-V351 HydrophobicContact CD2-CG2 3.82Å; L247-V351 HydrophobicContact CG-CG2 4.5Å; A347-V351 HydrophobicContact CB-CG2 4.12Å; A347-V351 WeakPolarHBondContact O-CG2 3.43Å; G349-V351 VanDerWaalsContact C-N 3.26Å; G349-V351 PolarHBondContact O-N 2.91Å; V351-N356 PolarHBondContact N-O 3.17Å; V351-E358 HydrophobicContact CB-CB 4.22Å; V351-E358 HydrophobicContact CG1-CB 3.98Å; V351-E358 HydrophobicContact CG2-CB 4.06Å
352	Y	91.9	Very high	91.2	Very high	102 Å²	102	55.9 Å²	55.9	40%	0.4	28%	0.283	S	S	.	.	S	Bend	trans	-93.4	152.9	176.3	-60.1	-67.4	0	0	0	111.8	N354 G355 N356 P357 E358	Y352-N354 VanDerWaalsContact CB-OD1 3.22Å; Y352-N354 WeakPolarHBondContact CB-OD1 3.35Å; Y352-N354 PolarHBondContact O-N 3.29Å; Y352-G355 PolarHBondContact O-N 3.44Å; Y352-N356 HydrophobicContact CD2-CB 4.18Å; Y352-N356 PolarHBondContact N-O 3.11Å; Y352-P357 WeakPolarHBondContact CE2-O 3.39Å; Y352-E358 HydrophobicContact CE2-CB 4.25Å
353	K	87.8	Confident	91.8	Very high	232 Å²	232	46.4 Å²	46.4	100%	1.009	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-16.4	179.6	-66.2	-177.3	-179.9	176.9	0	115.3
354	N	88.9	Confident	92.3	Very high	113 Å²	113	42.2 Å²	42.2	60%	0.604	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	3.7	177.5	57.9	15.6	0	0	0	113.6	Y352 N356	Y352-N354 VanDerWaalsContact CB-OD1 3.22Å; Y352-N354 WeakPolarHBondContact CB-OD1 3.35Å; Y352-N354 PolarHBondContact O-N 3.29Å; N354-N356 PolarHBondContact ND2-ND2 2.81Å; N354-N356 VanDerWaalsContact ND2-ND2 3.14Å; N354-N356 VanDerWaalsContact OD1-CB 3.27Å; N354-N356 WeakPolarHBondContact OD1-CB 3.35Å; N354-N356 PolarHBondContact OD1-N 3.19Å; N354-N356 VanDerWaalsContact OD1-N 3.11Å; N354-N356 PolarHBondContact OD1-ND2 2.97Å; N354-N356 VanDerWaalsContact OD1-ND2 3.08Å
355	G	88.8	Confident	92.8	Very high	22 Å²	22	41.1 Å²	41.1	23%	0.227	22%	0.218	C	C	.	.	S	Bend	trans	84.6	5	-178.9	0	0	0	0	0	115	Q237 Y352	Q237-G355 PolarHBondContact NE2-O 3Å; Y352-G355 PolarHBondContact O-N 3.44Å
356	N	92.4	Very high	93.3	Very high	41 Å²	41	40.1 Å²	40.1	22%	0.219	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-81.6	150	-179	-71	-45.9	0	0	0	112.9	S28 G349 V351 Y352 N354	S28-N356 VanDerWaalsContact CB-CG 3.47Å; S28-N356 WeakPolarHBondContact CB-OD1 3.35Å; S28-N356 PolarHBondContact OG-OD1 3.11Å; G349-N356 CarbonylContact O-C 3.6Å; V351-N356 PolarHBondContact N-O 3.17Å; Y352-N356 HydrophobicContact CD2-CB 4.18Å; Y352-N356 PolarHBondContact N-O 3.11Å; N354-N356 PolarHBondContact ND2-ND2 2.81Å; N354-N356 VanDerWaalsContact ND2-ND2 3.14Å; N354-N356 VanDerWaalsContact OD1-CB 3.27Å; N354-N356 WeakPolarHBondContact OD1-CB 3.35Å; N354-N356 PolarHBondContact OD1-N 3.19Å; N354-N356 VanDerWaalsContact OD1-N 3.11Å; N354-N356 PolarHBondContact OD1-ND2 2.97Å; N354-N356 VanDerWaalsContact OD1-ND2 3.08Å
357	P	96	Very high	93.4	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.045	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-74.5	166	172	31.8	-32.3	0	0	0	111.6	W29 Q237 A347 L348 Y352 L359	W29-P357 HydrophobicContact CZ2-CG 4.4Å; Q237-P357 HydrophobicContact CG-CG 4.21Å; A347-P357 WeakPolarHBondContact O-CA 3.4Å; A347-P357 VanDerWaalsContact O-CB 3.31Å; A347-P357 WeakPolarHBondContact O-CB 3.42Å; L348-P357 HydrophobicContact CD2-CB 3.92Å; L348-P357 HydrophobicContact CD2-CG 4.48Å; Y352-P357 WeakPolarHBondContact CE2-O 3.39Å; P357-L359 HydrophobicContact CB-CD2 3.87Å; P357-L359 HydrophobicContact CB-CG 4.21Å; P357-L359 HydrophobicContact CG-CD1 4.01Å; P357-L359 HydrophobicContact CG-CD2 3.82Å; P357-L359 HydrophobicContact CG-CG 3.85Å
358	E	94	Very high	93.3	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-97.9	117.4	165.8	-177.8	168.9	-139.5	0	0	109.5	V289 G346 A347 V351 Y352 N360	V289-E358 WeakPolarHBondContact CG2-O 3.33Å; G346-E358 CarbonylContact C-O 3.47Å; G346-E358 VanDerWaalsContact CA-O 3.31Å; G346-E358 WeakPolarHBondContact CA-O 3.39Å; A347-E358 PolarHBondContact N-O 2.86Å; A347-E358 PolarHBondContact O-N 2.89Å; V351-E358 HydrophobicContact CB-CB 4.22Å; V351-E358 HydrophobicContact CG1-CB 3.98Å; V351-E358 HydrophobicContact CG2-CB 4.06Å; Y352-E358 HydrophobicContact CE2-CB 4.25Å; E358-N360 HydrophobicContact CG-CB 4.44Å; E358-N360 WeakPolarHBondContact CG-ND2 3.39Å; E358-N360 PolarHBondContact OE1-ND2 3.12Å
359	L	93.2	Very high	93	Very high	18 Å²	18	40.7 Å²	40.7	9%	0.094	21%	0.211	C	C	.	.			trans	-117.2	22.2	-171.9	-56.4	178.9	0	0	0	112	W29 R32 V289 L348 P357 N361 L362	W29-L359 HydrophobicContact CD2-CD1 4.14Å; W29-L359 HydrophobicContact CE3-CD1 4.19Å; W29-L359 HydrophobicContact CH2-CD1 3.91Å; W29-L359 HydrophobicContact CH2-CD2 4.12Å; W29-L359 HydrophobicContact CZ2-CD1 3.88Å; W29-L359 HydrophobicContact CZ2-CD2 4.2Å; W29-L359 HydrophobicContact CZ3-CD1 4.08Å; R32-L359 VanDerWaalsContact CZ-O 3.29Å; R32-L359 PolarHBondContact NH1-O 2.68Å; R32-L359 PolarHBondContact NH2-O 3.37Å; V289-L359 HydrophobicContact CG2-CD2 4.05Å; L348-L359 HydrophobicContact CD2-CD2 4.15Å; P357-L359 HydrophobicContact CB-CD2 3.87Å; P357-L359 HydrophobicContact CB-CG 4.21Å; P357-L359 HydrophobicContact CG-CD1 4.01Å; P357-L359 HydrophobicContact CG-CD2 3.82Å; P357-L359 HydrophobicContact CG-CG 3.85Å; L359-N361 VanDerWaalsContact C-N 3.31Å; L359-N361 PolarHBondContact O-N 2.77Å; L359-L362 HydrophobicContact CB-CB 3.94Å; L359-L362 HydrophobicContact CB-CD2 4.25Å; L359-L362 HydrophobicContact CD1-CD2 4.18Å; L359-L362 HydrophobicContact CD2-CD2 4.31Å; L359-L362 HydrophobicContact CG-CD2 4.48Å; L359-L362 VanDerWaalsContact O-CB 3.32Å; L359-L362 WeakPolarHBondContact O-CB 3.39Å; L359-L362 PolarHBondContact O-N 3.34Å
360	N	87.2	Confident	92.6	Very high	99 Å²	99	41.5 Å²	41.5	53%	0.529	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-44.5	-172.4	-67.4	-21.9	0	0	0	111.5	E358	E358-N360 HydrophobicContact CG-CB 4.44Å; E358-N360 WeakPolarHBondContact CG-ND2 3.39Å; E358-N360 PolarHBondContact OE1-ND2 3.12Å
361	N	90.6	Very high	92.4	Very high	50 Å²	50	40.6 Å²	40.6	27%	0.267	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	18.1	174.3	71.9	-2.6	0	0	0	115.2	G290 T344 G345 G346 L359 I363	G290-N361 PolarHBondContact N-OD1 3.2Å; G290-N361 PolarHBondContact O-ND2 3.24Å; T344-N361 PolarHBondContact O-ND2 3.47Å; G345-N361 VanDerWaalsContact C-CG 3.44Å; G345-N361 VanDerWaalsContact C-ND2 3.34Å; G345-N361 PolarHBondContact O-N 3.43Å; G345-N361 PolarHBondContact O-OD1 2.98Å; G346-N361 WeakPolarHBondContact CA-OD1 3.23Å; L359-N361 VanDerWaalsContact C-N 3.31Å; L359-N361 PolarHBondContact O-N 2.77Å; N361-I363 PolarHBondContact O-N 2.86Å
362	L	94.3	Very high	92.4	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.203	C	C	.	.			trans	-61	124.6	173.6	174.5	69.4	0	0	0	109.8	W29 F230 F233 S288 V289 L359	W29-L362 HydrophobicContact CH2-CD2 4.2Å; W29-L362 HydrophobicContact CZ3-CD2 3.79Å; F230-L362 HydrophobicContact CD1-CD2 4.31Å; F230-L362 HydrophobicContact CE1-CD2 3.68Å; F230-L362 HydrophobicContact CE1-CG 4.11Å; F230-L362 HydrophobicContact CE2-CD1 4.26Å; F230-L362 HydrophobicContact CE2-CG 4.5Å; F230-L362 HydrophobicContact CZ-CD1 4.06Å; F230-L362 HydrophobicContact CZ-CD2 3.92Å; F230-L362 HydrophobicContact CZ-CG 3.81Å; F233-L362 HydrophobicContact CD1-CD1 4.03Å; F233-L362 HydrophobicContact CE1-CD1 4.13Å; S288-L362 WeakPolarHBondContact O-CA 3.31Å; V289-L362 HydrophobicContact CB-CB 4.49Å; V289-L362 HydrophobicContact CB-CD1 4.07Å; V289-L362 HydrophobicContact CG2-CB 4.36Å; L359-L362 HydrophobicContact CB-CB 3.94Å; L359-L362 HydrophobicContact CB-CD2 4.25Å; L359-L362 HydrophobicContact CD1-CD2 4.18Å; L359-L362 HydrophobicContact CD2-CD2 4.31Å; L359-L362 HydrophobicContact CG-CD2 4.48Å; L359-L362 VanDerWaalsContact O-CB 3.32Å; L359-L362 WeakPolarHBondContact O-CB 3.39Å; L359-L362 PolarHBondContact O-N 3.34Å
363	I	95.1	Very high	92.4	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.077	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156.5	177.1	62	170.1	0	0	0	111.6	S77 A287 S288 V310 N361	S77-I363 CarbonylContact O-C 3.49Å; S77-I363 VanDerWaalsContact O-CA 3.3Å; S77-I363 WeakPolarHBondContact O-CA 3.45Å; A287-I363 WeakPolarHBondContact CA-O 3.34Å; S288-I363 PolarHBondContact N-O 3.44Å; S288-I363 PolarHBondContact O-N 2.8Å; V310-I363 HydrophobicContact CB-CG2 4.35Å; V310-I363 HydrophobicContact CG2-CB 4.3Å; V310-I363 HydrophobicContact CG2-CG2 3.57Å; N361-I363 PolarHBondContact O-N 2.86Å
364	C	96.4	Very high	92.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154.5	150.9	65.2	0	0	0	0	110.9	R76 S77 C79 A226 F230 I286	R76-C364 WeakPolarHBondContact CA-O 3.33Å; S77-C364 PolarHBondContact N-O 2.87Å; S77-C364 PolarHBondContact O-N 3.06Å; C79-C364 PolarHBondContact O-SG 3.42Å; A226-C364 HydrophobicContact CB-CB 4.21Å; F230-C364 HydrophobicContact CE2-CB 3.74Å; F230-C364 HydrophobicContact CZ-CB 4.19Å; I286-C364 CarbonylContact O-C 3.51Å; I286-C364 WeakPolarHBondContact O-CA 3.41Å; I286-C364 WeakPolarHBondContact O-CB 3.35Å
365	A	96.4	Very high	93.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.4	175.4	0	0	0	0	0	111.6	W75 R76 V285 I286 I306	W75-A365 CarbonylContact O-C 3.53Å; W75-A365 WeakPolarHBondContact O-CA 3.24Å; R76-A365 HydrophobicContact CG-CB 3.96Å; V285-A365 CarbonylContact C-O 3.6Å; V285-A365 WeakPolarHBondContact CA-O 3.44Å; I286-A365 HydrophobicContact CB-CB 4.35Å; I286-A365 PolarHBondContact N-O 3.41Å; I286-A365 PolarHBondContact O-N 2.9Å; I306-A365 HydrophobicContact CG2-CB 3.93Å
366	V	96	Very high	93.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.1	172.7	-176.4	0	0	0	0	108.3	W75 L83 A87 Y89 T222 V284 V285	W75-V366 HydrophobicContact CE3-CB 4.42Å; W75-V366 HydrophobicContact CE3-CG1 4.47Å; W75-V366 PolarHBondContact N-O 3.29Å; W75-V366 PolarHBondContact O-N 3.5Å; L83-V366 HydrophobicContact CD1-CG2 4.01Å; L83-V366 HydrophobicContact CD2-CG2 4.16Å; A87-V366 HydrophobicContact CB-CB 4.31Å; Y89-V366 HydrophobicContact CD2-CG1 4.43Å; T222-V366 HydrophobicContact CG2-CG1 3.91Å; V284-V366 WeakPolarHBondContact O-CA 3.47Å; V285-V366 HydrophobicContact CG1-CG2 4.44Å; V285-V366 HydrophobicContact CG2-CG2 4.43Å
367	T	94.8	Very high	94	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.5	164.9	-170.2	0	0	0	0	109.7	D73 S283 V284 L296 I306	D73-T367 PolarHBondContact O-OG1 3.47Å; S283-T367 WeakPolarHBondContact CA-O 3.49Å; V284-T367 HydrophobicContact CB-CG2 3.98Å; V284-T367 HydrophobicContact CG2-CG2 4.27Å; V284-T367 PolarHBondContact N-O 3.14Å; V284-T367 PolarHBondContact O-N 2.76Å; V284-T367 VanDerWaalsContact O-N 3.08Å; L296-T367 HydrophobicContact CD2-CG2 3.69Å; I306-T367 HydrophobicContact CD1-CG2 4.2Å; I306-T367 HydrophobicContact CG1-CG2 4.17Å; I306-T367 HydrophobicContact CG2-CG2 4.24Å
368	L	93.4	Very high	94.1	Very high	14 Å²	14	15.4 Å²	15.4	7%	0.073	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	147.7	169.7	-66.1	175.4	0	0	0	110.1	Y89 V258 Q281 F282	Y89-L368 HydrophobicContact CD1-CD1 4.46Å; Y89-L368 HydrophobicContact CD1-CD2 4.15Å; Y89-L368 HydrophobicContact CD2-CD2 3.91Å; Y89-L368 HydrophobicContact CD2-CG 4.37Å; Y89-L368 HydrophobicContact CE1-CD1 3.76Å; Y89-L368 HydrophobicContact CE1-CD2 4.22Å; Y89-L368 HydrophobicContact CE1-CG 4.35Å; Y89-L368 HydrophobicContact CE2-CD1 4.08Å; Y89-L368 HydrophobicContact CE2-CD2 3.98Å; Y89-L368 HydrophobicContact CE2-CG 3.93Å; Y89-L368 HydrophobicContact CG-CD2 3.99Å; Y89-L368 WeakPolarHBondContact OH-CD1 3.34Å; V258-L368 HydrophobicContact CG2-CD2 3.99Å; Q281-L368 HydrophobicContact CG-CD2 4.29Å; F282-L368 WeakPolarHBondContact O-CA 3.49Å
369	C	91.8	Very high	94.3	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.014	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.1	172.8	56.6	0	0	0	0	111.5	F282 V284 L296 D373	F282-C369 VanDerWaalsContact CB-SG 3.52Å; F282-C369 PolarHBondContact N-O 3.38Å; F282-C369 PolarHBondContact O-N 3.44Å; V284-C369 HydrophobicContact CG2-CB 4.28Å; V284-C369 WeakPolarHBondContact CG2-SG 3.21Å; L296-C369 HydrophobicContact CD1-CB 3.84Å; L296-C369 HydrophobicContact CD2-CB 3.75Å; L296-C369 HydrophobicContact CG-CB 4.42Å; C369-D373 WeakPolarHBondContact CA-OD2 3.37Å; C369-D373 HydrophobicContact CB-CB 4.09Å; C369-D373 WeakPolarHBondContact CB-OD2 3.17Å
370	D	90	Very high	94.4	Very high	17 Å²	17	12.9 Å²	12.9	9%	0.091	8%	0.075	C	C	.	.			trans	-99.1	159.4	177.3	-72.4	-27.5	0	0	0	111	K279 H301 G372 D373	K279-D370 WeakPolarHBondContact CE-OD1 3.49Å; K279-D370 WeakPolarHBondContact CE-OD2 3.37Å; K279-D370 IonicContact NZ-OD1 3.67Å; K279-D370 PolarHBondContact NZ-OD1 3.06Å; K279-D370 IonicContact NZ-OD2 2.82Å; K279-D370 PolarHBondContact NZ-OD2 3.05Å; H301-D370 IonicContact CE1-OD2 3.29Å; D370-G372 PolarHBondContact O-N 3.45Å; D370-D373 PolarHBondContact N-OD2 2.84Å; D370-D373 WeakPolarHBondContact O-CB 3.37Å; D370-D373 PolarHBondContact O-N 2.94Å; D370-D373 VanDerWaalsContact O-N 3.1Å
371	P	90.2	Very high	94.8	Very high	23 Å²	23	8.1 Å²	8.1	15%	0.149	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	131.2	172.2	-20.3	32.5	0	0	0	110.8	A280 F282 V661 Y672	A280-P371 HydrophobicContact CB-CG 4.48Å; A280-P371 WeakPolarHBondContact O-CD 3.31Å; A280-P371 WeakPolarHBondContact O-CG 3.34Å; F282-P371 HydrophobicContact CD2-CG 4.49Å; F282-P371 HydrophobicContact CE2-CG 4.19Å; P371-V661 CarbonylContact C-O 3.6Å; P371-V661 WeakPolarHBondContact CA-O 3.46Å; P371-Y672 HydrophobicContact CB-CG 4.29Å
372	G	90.8	Very high	95.1	Very high	22 Å²	22	5.8 Å²	5.8	23%	0.227	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	-12.7	-173.8	0	0	0	0	0	114.8	D370 V661	D370-G372 PolarHBondContact O-N 3.45Å; G372-V661 PolarHBondContact N-O 3.04Å
373	D	93.4	Very high	95.1	Very high	4 Å²	4	6 Å²	6	2%	0.021	4%	0.038	C	C	.	.			trans	-68.2	150.3	169.2	-69.8	-16	0	0	0	110.7	L296 L297 S298 C369 D370 V661	L296-D373 HydrophobicContact CD1-CB 3.81Å; L297-D373 CarbonylContact O-C 3.56Å; L297-D373 WeakPolarHBondContact O-CA 3.5Å; S298-D373 WeakPolarHBondContact CA-OD1 3.41Å; S298-D373 WeakPolarHBondContact CB-OD1 3.19Å; S298-D373 PolarHBondContact OG-OD1 3.45Å; S298-D373 PolarHBondContact OG-OD2 2.85Å; C369-D373 WeakPolarHBondContact CA-OD2 3.37Å; C369-D373 HydrophobicContact CB-CB 4.09Å; C369-D373 WeakPolarHBondContact CB-OD2 3.17Å; D370-D373 PolarHBondContact N-OD2 2.84Å; D370-D373 WeakPolarHBondContact O-CB 3.37Å; D370-D373 PolarHBondContact O-N 2.94Å; D370-D373 VanDerWaalsContact O-N 3.1Å; D373-V661 WeakPolarHBondContact O-CB 3.18Å; D373-V661 PolarHBondContact O-N 3.49Å
374	I	95.9	Very high	95.2	Very high	6 Å²	6	5.4 Å²	5.4	3%	0.031	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.3	-179	-60.8	169.8	0	0	0	110.5	L297 L376 F576 L581 A658 Y659 E660	L297-I374 HydrophobicContact CB-CB 4.2Å; L297-I374 PolarHBondContact N-O 3.46Å; L297-I374 PolarHBondContact O-N 2.84Å; I374-L376 HydrophobicContact CG2-CD2 3.76Å; I374-L376 HydrophobicContact CG2-CG 4.25Å; I374-F576 HydrophobicContact CD1-CE2 3.84Å; I374-F576 HydrophobicContact CD1-CZ 3.6Å; I374-L581 HydrophobicContact CD1-CD2 4.07Å; I374-L581 HydrophobicContact CG2-CD2 4.07Å; I374-A658 HydrophobicContact CG2-CB 4.49Å; I374-Y659 CarbonylContact C-O 3.57Å; I374-Y659 WeakPolarHBondContact CA-O 3.25Å; I374-E660 HydrophobicContact CG1-CB 4.24Å; I374-E660 HydrophobicContact CG1-CG 4.16Å
375	V	97.8	Very high	95.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126	169.1	-179.5	0	0	0	0	109	L178 A253 I255 V284 L296 A658 Y659 V661	L178-V375 HydrophobicContact CD2-CG1 4.44Å; A253-V375 HydrophobicContact CB-CG1 4.31Å; I255-V375 HydrophobicContact CG1-CG2 4.26Å; V284-V375 HydrophobicContact CG1-CG1 4.22Å; V284-V375 HydrophobicContact CG1-CG2 4.16Å; V284-V375 HydrophobicContact CG2-CG2 3.66Å; L296-V375 HydrophobicContact CD1-CG2 4.09Å; V375-A658 CarbonylContact O-C 3.44Å; V375-A658 WeakPolarHBondContact O-CA 3.24Å; V375-Y659 PolarHBondContact N-O 3.33Å; V375-Y659 PolarHBondContact O-N 3.09Å; V375-V661 HydrophobicContact CG2-CG2 3.8Å
376	L	97.9	Very high	95.1	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.01	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.1	172	-59.9	-175.3	0	0	0	110.7	A294 F295 L297 I374 L555 L581 L585 I656 V657 A658	A294-L376 CarbonylContact C-O 3.56Å; A294-L376 WeakPolarHBondContact CA-O 3.47Å; F295-L376 HydrophobicContact CB-CB 4.37Å; F295-L376 PolarHBondContact N-O 2.96Å; F295-L376 PolarHBondContact O-N 3.28Å; L297-L376 HydrophobicContact CD1-CD1 3.62Å; L297-L376 HydrophobicContact CD1-CG 3.94Å; L297-L376 HydrophobicContact CD2-CD1 3.74Å; L297-L376 HydrophobicContact CD2-CG 4.35Å; L297-L376 HydrophobicContact CG-CD1 4.37Å; I374-L376 HydrophobicContact CG2-CD2 3.76Å; I374-L376 HydrophobicContact CG2-CG 4.25Å; L376-L555 HydrophobicContact CD1-CD2 3.7Å; L376-L581 HydrophobicContact CD2-CD2 4Å; L376-L585 HydrophobicContact CD1-CD1 3.92Å; L376-I656 HydrophobicContact CD1-CD1 4.41Å; L376-I656 HydrophobicContact CD2-CD1 4.38Å; L376-V657 CarbonylContact C-O 3.5Å; L376-V657 WeakPolarHBondContact CA-O 3.45Å; L376-A658 HydrophobicContact CD2-CB 3.35Å
377	I	98.5	Very high	95	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131	161.4	-49.4	179.4	0	0	0	107.9	L178 V180 C251 A253 Q293 A294 I656 V657	L178-I377 HydrophobicContact CB-CD1 3.73Å; L178-I377 HydrophobicContact CB-CG1 4.41Å; V180-I377 HydrophobicContact CB-CG2 3.81Å; V180-I377 HydrophobicContact CG2-CB 3.88Å; V180-I377 HydrophobicContact CG2-CG2 3.64Å; C251-I377 HydrophobicContact CB-CG2 3.95Å; A253-I377 HydrophobicContact CB-CD1 3.86Å; Q293-I377 CarbonylContact O-C 3.55Å; Q293-I377 WeakPolarHBondContact O-CA 3.49Å; A294-I377 HydrophobicContact CB-CG1 4Å; I377-I656 CarbonylContact O-C 3.57Å; I377-I656 VanDerWaalsContact O-CA 3.31Å; I377-I656 WeakPolarHBondContact O-CA 3.3Å; I377-V657 PolarHBondContact N-O 3.43Å; I377-V657 PolarHBondContact O-N 3.43Å
378	G	98.1	Very high	95	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.01	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.9	176.6	0	0	0	0	0	113.3	C292 Q293 T655	C292-G378 CarbonylContact C-O 3.56Å; C292-G378 WeakPolarHBondContact CA-O 3.21Å; Q293-G378 PolarHBondContact N-O 3.48Å; Q293-G378 PolarHBondContact O-N 2.71Å; G378-T655 CarbonylContact C-O 3.41Å; G378-T655 VanDerWaalsContact CA-O 3.23Å; G378-T655 WeakPolarHBondContact CA-O 3.45Å
379	S	97.7	Very high	94.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.04	C	C	.	.			trans	-79.5	165.6	166.2	60.8	0	0	0	0	112.1	D165 D182 G381 L382 I383 T655	D165-S379 PolarHBondContact OD2-OG 3.36Å; D165-S379 VanDerWaalsContact OD2-OG 3.11Å; D182-S379 WeakPolarHBondContact OD2-CB 3.26Å; S379-G381 VanDerWaalsContact C-N 3.32Å; S379-G381 PolarHBondContact O-N 3.02Å; S379-L382 PolarHBondContact O-N 3.22Å; S379-I383 PolarHBondContact O-N 3.23Å; S379-I383 VanDerWaalsContact O-N 3.09Å; S379-T655 PolarHBondContact N-O 3.34Å; S379-T655 PolarHBondContact OG-N 3.12Å
380	D	95.3	Very high	94.9	Very high	12 Å²	12	7.6 Å²	7.6	6%	0.064	5%	0.047	C	C	.	.	H	α-helix	trans	-62.6	-37.5	-175.5	72.2	-22	0	0	0	112.1	R339 L382 I383 D384 K650	R339-D380 IonicContact NH2-OD2 2.65Å; D380-L382 CarbonylContact O-C 3.59Å; D380-L382 PolarHBondContact O-N 3.04Å; D380-L382 VanDerWaalsContact O-N 3.07Å; D380-I383 PolarHBondContact O-N 3.06Å; D380-I383 VanDerWaalsContact O-N 3.1Å; D380-D384 WeakPolarHBondContact O-CB 3.39Å; D380-D384 PolarHBondContact O-N 2.82Å; D380-K650 IonicContact OD2-NZ 3.73Å; D380-K650 PolarHBondContact OD2-NZ 2.85Å
381	G	95.8	Very high	95	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60	-20.7	174.8	0	0	0	0	0	113.9	L148 S379 N385 H653	L148-G381 WeakPolarHBondContact CD1-O 3.24Å; S379-G381 VanDerWaalsContact C-N 3.32Å; S379-G381 PolarHBondContact O-N 3.02Å; G381-N385 PolarHBondContact O-ND2 2.96Å; G381-H653 WeakPolarHBondContact CA-O 3.38Å
382	L	97.4	Very high	95.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-84.8	-58.4	163.5	179.1	58.6	0	0	0	112	S379 D380 D384 N385 F386 L585 I586 A589 A654 I656	S379-L382 PolarHBondContact O-N 3.22Å; D380-L382 CarbonylContact O-C 3.59Å; D380-L382 PolarHBondContact O-N 3.04Å; D380-L382 VanDerWaalsContact O-N 3.07Å; L382-D384 PolarHBondContact O-N 3.25Å; L382-N385 WeakPolarHBondContact O-CB 3.16Å; L382-N385 PolarHBondContact O-N 3.06Å; L382-N385 VanDerWaalsContact O-N 3.15Å; L382-F386 HydrophobicContact CD1-CE2 3.85Å; L382-F386 HydrophobicContact CG-CE2 4.3Å; L382-F386 WeakPolarHBondContact O-CD2 3.15Å; L382-L585 WeakPolarHBondContact CD1-O 3.35Å; L382-L585 HydrophobicContact CD2-CB 4.41Å; L382-I586 HydrophobicContact CD1-CD1 4.29Å; L382-A589 HydrophobicContact CD1-CB 3.83Å; L382-A654 HydrophobicContact CB-CB 4.27Å; L382-I656 HydrophobicContact CD2-CB 3.57Å; L382-I656 HydrophobicContact CD2-CD1 3.62Å; L382-I656 HydrophobicContact CD2-CG1 4.09Å; L382-I656 HydrophobicContact CD2-CG2 4.03Å
383	I	95.5	Very high	95	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.036	7%	0.067	C	C	.	.	H	α-helix	trans	-72	-32.2	-164.5	-52.3	-62.1	0	0	0	112.3	Q293 F295 S379 D380 N385 F386 L555	Q293-I383 HydrophobicContact CB-CG1 4.35Å; F295-I383 HydrophobicContact CE2-CD1 3.82Å; F295-I383 HydrophobicContact CE2-CG1 4.24Å; F295-I383 HydrophobicContact CE2-CG2 4.2Å; F295-I383 HydrophobicContact CZ-CG2 4.05Å; S379-I383 PolarHBondContact O-N 3.23Å; S379-I383 VanDerWaalsContact O-N 3.09Å; D380-I383 PolarHBondContact O-N 3.06Å; D380-I383 VanDerWaalsContact O-N 3.1Å; I383-N385 PolarHBondContact O-N 2.77Å; I383-F386 WeakPolarHBondContact O-CB 3.46Å; I383-F386 PolarHBondContact O-N 2.9Å; I383-L555 HydrophobicContact CD1-CD1 4.13Å
384	D	95.3	Very high	94.9	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30.3	173.6	-69.1	-14.6	0	0	0	111.6	R339 F341 D380 L382 F386 D387 I390 K650	R339-D384 IonicContact CZ-OD1 2.67Å; R339-D384 IonicContact NH1-OD1 3.13Å; R339-D384 PolarHBondContact NH1-OD1 2.89Å; R339-D384 IonicContact NH1-OD2 3.14Å; R339-D384 IonicContact NH2-OD1 2.71Å; R339-D384 PolarHBondContact NH2-OD1 3.03Å; R339-D384 IonicContact NH2-OD2 2.7Å; F341-D384 HydrophobicContact CD1-CB 4.15Å; F341-D384 VanDerWaalsContact CD1-CG 3.47Å; F341-D384 WeakPolarHBondContact CD1-OD1 3.34Å; F341-D384 HydrophobicContact CE1-CB 4.29Å; F341-D384 WeakPolarHBondContact CE1-OD1 3.27Å; D380-D384 WeakPolarHBondContact O-CB 3.39Å; D380-D384 PolarHBondContact O-N 2.82Å; L382-D384 PolarHBondContact O-N 3.25Å; D384-F386 PolarHBondContact O-N 3.03Å; D384-F386 VanDerWaalsContact O-N 3.17Å; D384-D387 WeakPolarHBondContact O-CB 3.47Å; D384-D387 PolarHBondContact O-N 3.2Å; D384-I390 HydrophobicContact CB-CG1 4.44Å; D384-I390 WeakPolarHBondContact O-CB 3.42Å; D384-I390 WeakPolarHBondContact O-CG1 3.42Å; D384-I390 VanDerWaalsContact O-CG2 3.23Å; D384-I390 WeakPolarHBondContact O-CG2 3.46Å; D384-K650 HydrophobicContact CB-CB 4.31Å; D384-K650 HydrophobicContact CB-CD 3.91Å; D384-K650 WeakPolarHBondContact OD2-CD 3.44Å; D384-K650 WeakPolarHBondContact OD2-CE 3.49Å; D384-K650 IonicContact OD2-NZ 3.87Å; D384-K650 PolarHBondContact OD2-NZ 2.66Å
385	N	96.7	Very high	94.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-73.2	0.3	176.7	-78	-69.6	0	0	0	114	L148 G381 L382 I383 T391 A589 T593 G649 K650	L148-N385 WeakPolarHBondContact CD1-ND2 3.29Å; G381-N385 PolarHBondContact O-ND2 2.96Å; L382-N385 WeakPolarHBondContact O-CB 3.16Å; L382-N385 PolarHBondContact O-N 3.06Å; L382-N385 VanDerWaalsContact O-N 3.15Å; I383-N385 PolarHBondContact O-N 2.77Å; N385-T391 VanDerWaalsContact O-CG2 3.23Å; N385-T391 WeakPolarHBondContact O-CG2 3.42Å; N385-A589 HydrophobicContact CB-CB 3.8Å; N385-T593 WeakPolarHBondContact OD1-CG2 3.42Å; N385-G649 WeakPolarHBondContact OD1-CA 3.41Å; N385-K650 PolarHBondContact ND2-O 2.96Å; N385-K650 PolarHBondContact OD1-N 2.81Å
386	F	96	Very high	93.8	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-102.3	-9.6	167.7	-68.9	-101	0	0	0	113.1	L382 I383 D384 A551 E554 L555 V558 L585 H588	L382-F386 HydrophobicContact CD1-CE2 3.85Å; L382-F386 HydrophobicContact CG-CE2 4.3Å; L382-F386 WeakPolarHBondContact O-CD2 3.15Å; I383-F386 WeakPolarHBondContact O-CB 3.46Å; I383-F386 PolarHBondContact O-N 2.9Å; D384-F386 PolarHBondContact O-N 3.03Å; D384-F386 VanDerWaalsContact O-N 3.17Å; F386-A551 HydrophobicContact CB-CB 3.92Å; F386-A551 WeakPolarHBondContact O-CA 3.07Å; F386-E554 HydrophobicContact CD1-CB 4.02Å; F386-E554 HydrophobicContact CD1-CG 3.81Å; F386-E554 HydrophobicContact CE1-CG 4.42Å; F386-L555 HydrophobicContact CD1-CB 4.15Å; F386-L555 HydrophobicContact CE1-CB 4.17Å; F386-L555 HydrophobicContact CE1-CG 4.45Å; F386-V558 HydrophobicContact CE1-CG2 4.03Å; F386-L585 HydrophobicContact CE1-CD2 4.08Å; F386-L585 HydrophobicContact CE2-CD2 4.48Å; F386-L585 HydrophobicContact CZ-CD2 3.57Å; F386-H588 HydrophobicContact CE1-CB 4.48Å; F386-H588 AromaticContact CE1-CG 3.94Å; F386-H588 AromaticContact CE1-ND1 3.96Å; F386-H588 HydrophobicContact CZ-CB 3.93Å; F386-H588 AromaticContact CZ-CD2 3.98Å; F386-H588 AromaticContact CZ-CG 3.81Å
387	D	93.9	Very high	93	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.032	12%	0.118	C	C	.	.	S	Bend	trans	-70.3	134.4	178.5	175.3	-79.8	0	0	0	111.1	F341 D384 V389 I390 T391 R547	F341-D387 HydrophobicContact CE1-CB 4.3Å; F341-D387 HydrophobicContact CZ-CB 4.42Å; D384-D387 WeakPolarHBondContact O-CB 3.47Å; D384-D387 PolarHBondContact O-N 3.2Å; D387-V389 VanDerWaalsContact C-N 3.26Å; D387-V389 PolarHBondContact O-N 2.82Å; D387-V389 WeakPolarHBondContact OD1-CA 2.89Å; D387-V389 VanDerWaalsContact OD1-CB 3.27Å; D387-V389 WeakPolarHBondContact OD1-CB 3.4Å; D387-V389 PolarHBondContact OD1-N 3.43Å; D387-I390 HydrophobicContact CB-CB 4.12Å; D387-I390 HydrophobicContact CB-CG1 3.88Å; D387-I390 PolarHBondContact O-N 2.99Å; D387-I390 PolarHBondContact OD1-N 3.12Å; D387-T391 WeakPolarHBondContact O-CG2 3.49Å; D387-T391 PolarHBondContact O-N 2.94Å; D387-T391 PolarHBondContact O-OG1 3.12Å; D387-R547 IonicContact OD1-CZ 3.8Å; D387-R547 IonicContact OD1-NE 3.93Å; D387-R547 IonicContact OD1-NH2 3.92Å; D387-R547 PolarHBondContact OD1-NH2 3.17Å; D387-R547 IonicContact OD2-CZ 3.29Å; D387-R547 IonicContact OD2-NE 3.97Å; D387-R547 PolarHBondContact OD2-NE 2.93Å; D387-R547 IonicContact OD2-NH2 2.65Å; D387-R547 PolarHBondContact OD2-NH2 3.35Å
388	P	93.2	Very high	91.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.6	-173.6	28.4	-35.5	0	0	0	113.3	T391 Q392 L393 A394 L542 R547 Y550	P388-T391 VanDerWaalsContact CA-OG1 3.27Å; P388-T391 WeakPolarHBondContact CA-OG1 3.37Å; P388-T391 PolarHBondContact O-OG1 3.05Å; P388-Q392 PolarHBondContact O-N 3.29Å; P388-L393 HydrophobicContact CB-CB 4.43Å; P388-L393 WeakPolarHBondContact O-CA 3.24Å; P388-L393 PolarHBondContact O-N 2.71Å; P388-A394 HydrophobicContact CB-CB 3.82Å; P388-A394 HydrophobicContact CG-CB 4.26Å; P388-A394 PolarHBondContact O-N 3.39Å; P388-L542 HydrophobicContact CB-CD1 4.05Å; P388-L542 HydrophobicContact CG-CD1 3.63Å; P388-R547 HydrophobicContact CG-CB 4.14Å; P388-R547 HydrophobicContact CG-CG 3.93Å; P388-Y550 HydrophobicContact CB-CD1 3.74Å; P388-Y550 HydrophobicContact CB-CD2 4.46Å; P388-Y550 HydrophobicContact CB-CE1 3.97Å; P388-Y550 HydrophobicContact CB-CG 4.02Å; P388-Y550 HydrophobicContact CG-CD1 3.91Å; P388-Y550 HydrophobicContact CG-CG 3.95Å
389	V	91.4	Very high	90	Very high	19 Å²	19	28.5 Å²	28.5	12%	0.115	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-43.3	173.6	-178.6	0	0	0	0	110.8	D387 T391 Q392 A394 P396 R547	D387-V389 VanDerWaalsContact C-N 3.26Å; D387-V389 PolarHBondContact O-N 2.82Å; D387-V389 WeakPolarHBondContact OD1-CA 2.89Å; D387-V389 VanDerWaalsContact OD1-CB 3.27Å; D387-V389 WeakPolarHBondContact OD1-CB 3.4Å; D387-V389 PolarHBondContact OD1-N 3.43Å; V389-T391 PolarHBondContact O-N 3.46Å; V389-Q392 WeakPolarHBondContact O-CA 3.47Å; V389-Q392 PolarHBondContact O-N 2.94Å; V389-Q392 PolarHBondContact O-NE2 3.17Å; V389-A394 WeakPolarHBondContact CA-O 3.43Å; V389-A394 HydrophobicContact CG2-CB 4.27Å; V389-P396 HydrophobicContact CG1-CG 3.91Å; V389-P396 HydrophobicContact CG2-CG 4.2Å; V389-R547 HydrophobicContact CG2-CG 4.38Å
390	I	92	Very high	88.1	Confident	34 Å²	34	33.2 Å²	33.2	17%	0.174	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.5	175.2	-60	-63.2	0	0	0	110.9	F341 D384 D387 Q392 P648 G649 K650	F341-I390 HydrophobicContact CD1-CD1 3.86Å; F341-I390 HydrophobicContact CD1-CG1 4.01Å; F341-I390 HydrophobicContact CE1-CD1 4.12Å; F341-I390 HydrophobicContact CE1-CG1 3.8Å; F341-I390 HydrophobicContact CG-CD1 4.15Å; F341-I390 HydrophobicContact CZ-CG1 4.36Å; D384-I390 HydrophobicContact CB-CG1 4.44Å; D384-I390 WeakPolarHBondContact O-CB 3.42Å; D384-I390 WeakPolarHBondContact O-CG1 3.42Å; D384-I390 VanDerWaalsContact O-CG2 3.23Å; D384-I390 WeakPolarHBondContact O-CG2 3.46Å; D387-I390 HydrophobicContact CB-CB 4.12Å; D387-I390 HydrophobicContact CB-CG1 3.88Å; D387-I390 PolarHBondContact O-N 2.99Å; D387-I390 PolarHBondContact OD1-N 3.12Å; I390-Q392 VanDerWaalsContact C-N 3.28Å; I390-Q392 PolarHBondContact O-N 2.7Å; I390-P648 WeakPolarHBondContact O-CA 3.5Å; I390-G649 PolarHBondContact O-N 3.24Å; I390-K650 HydrophobicContact CG2-CB 4.08Å
391	T	92.6	Very high	86.2	Confident	15 Å²	15	37.7 Å²	37.7	9%	0.092	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.7	173.4	57.6	0	0	0	0	114.7	N385 D387 P388 V389 L393 I592 P648	N385-T391 VanDerWaalsContact O-CG2 3.23Å; N385-T391 WeakPolarHBondContact O-CG2 3.42Å; D387-T391 WeakPolarHBondContact O-CG2 3.49Å; D387-T391 PolarHBondContact O-N 2.94Å; D387-T391 PolarHBondContact O-OG1 3.12Å; P388-T391 VanDerWaalsContact CA-OG1 3.27Å; P388-T391 WeakPolarHBondContact CA-OG1 3.37Å; P388-T391 PolarHBondContact O-OG1 3.05Å; V389-T391 PolarHBondContact O-N 3.46Å; T391-L393 VanDerWaalsContact C-N 3.25Å; T391-L393 PolarHBondContact O-N 3.06Å; T391-I592 HydrophobicContact CG2-CD1 4.07Å; T391-I592 HydrophobicContact CG2-CG1 4.23Å; T391-I592 HydrophobicContact CG2-CG2 3.96Å; T391-P648 WeakPolarHBondContact O-CB 3.31Å
392	Q	91.6	Very high	84	Confident	72 Å²	72	43.6 Å²	43.6	34%	0.336	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	27.5	179.1	-54.9	-75.2	-78.1	0	0	114.4	P388 V389 I390 P648	P388-Q392 PolarHBondContact O-N 3.29Å; V389-Q392 WeakPolarHBondContact O-CA 3.47Å; V389-Q392 PolarHBondContact O-N 2.94Å; V389-Q392 PolarHBondContact O-NE2 3.17Å; I390-Q392 VanDerWaalsContact C-N 3.28Å; I390-Q392 PolarHBondContact O-N 2.7Å; Q392-P648 HydrophobicContact CB-CB 4.38Å; Q392-P648 HydrophobicContact CG-CB 4.07Å
393	L	90	Very high	81.5	Confident	85 Å²	85	51.4 Å²	51.4	45%	0.445	27%	0.271	S	S	.	.	S	Bend	trans	-87.9	-25.3	171.8	-62	176.9	0	0	0	112.5	P388 T391 Y550	P388-L393 HydrophobicContact CB-CB 4.43Å; P388-L393 WeakPolarHBondContact O-CA 3.24Å; P388-L393 PolarHBondContact O-N 2.71Å; T391-L393 VanDerWaalsContact C-N 3.25Å; T391-L393 PolarHBondContact O-N 3.06Å; L393-Y550 HydrophobicContact CD1-CE1 4.44Å; L393-Y550 WeakPolarHBondContact CD1-OH 3.26Å
394	A	89.6	Confident	79.4	Confident	2 Å²	2	57.5 Å²	57.5	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	168.4	179.4	0	0	0	0	0	111	P388 V389 L540 L542	P388-A394 HydrophobicContact CB-CB 3.82Å; P388-A394 HydrophobicContact CG-CB 4.26Å; P388-A394 PolarHBondContact O-N 3.39Å; V389-A394 WeakPolarHBondContact CA-O 3.43Å; V389-A394 HydrophobicContact CG2-CB 4.27Å; A394-L540 CarbonylContact C-O 3.57Å; A394-L540 WeakPolarHBondContact CA-O 3.47Å; A394-L540 HydrophobicContact CB-CB 4.37Å; A394-L540 WeakPolarHBondContact CB-O 3.15Å; A394-L542 HydrophobicContact CB-CB 4.42Å; A394-L542 HydrophobicContact CB-CD1 3.62Å; A394-L542 HydrophobicContact CB-CG 3.95Å
395	V	86.6	Confident	77.1	Confident	28 Å²	28	63.5 Å²	63.5	17%	0.17	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	156.3	164.2	-62.9	0	0	0	0	109.5	Q539 L540 E541 L542	V395-Q539 HydrophobicContact CG1-CB 4.14Å; V395-Q539 VanDerWaalsContact CG1-OE1 3.23Å; V395-L540 PolarHBondContact N-O 2.91Å; V395-E541 HydrophobicContact CG2-CB 4.13Å; V395-E541 HydrophobicContact CG2-CG 3.64Å; V395-E541 WeakPolarHBondContact O-CA 3.13Å; V395-L542 PolarHBondContact O-N 2.69Å
396	P	84.4	Confident	74.9	Confident	65 Å²	65	73 Å²	73	42%	0.422	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	142.1	169.4	-15.4	30.4	0	0	0	109.5	V389 S398	V389-P396 HydrophobicContact CG1-CG 3.91Å; V389-P396 HydrophobicContact CG2-CG 4.2Å; P396-S398 PolarHBondContact O-N 2.88Å
397	E	80.9	Confident	72.5	Confident	113 Å²	113	80.5 Å²	80.5	53%	0.528	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-50.6	132.3	163.6	-178.1	176.8	-139	0	0	110.5	L542 N543	E397-L542 PolarHBondContact N-O 2.95Å; E397-L542 VanDerWaalsContact N-O 3.08Å; E397-N543 HydrophobicContact CB-CB 4.36Å; E397-N543 WeakPolarHBondContact OE2-CB 3.36Å
398	S	70.4	Confident	70.1	Confident	36 Å²	36	86 Å²	86	25%	0.252	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-68	136.8	178	-62.5	0	0	0	0	110.6	P396	P396-S398 PolarHBondContact O-N 2.88Å
399	P	64.4	Low	67.6	Low	99 Å²	99	95.5 Å²	95.5	64%	0.643	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-60.7	144.7	-180	26.2	-34.5	0	0	0	111.3	L401	P399-L401 PolarHBondContact O-N 2.94Å
400	H	57.5	Low	65.4	Low	98 Å²	98	102.2 Å²	102.2	45%	0.454	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-62.4	125.3	171.5	-154	-88.7	0	0	0	108.9	D402 Y530	H400-D402 IonicContact CE1-OD1 3.51Å; H400-D402 PolarHBondContact CE1-OD1 3.36Å; H400-D402 IonicContact CG-OD1 2.89Å; H400-D402 IonicContact ND1-OD1 3.65Å; H400-D402 PolarHBondContact ND1-OD1 2.84Å; H400-Y530 AromaticContact CD2-CD1 3.75Å; H400-Y530 AromaticContact CD2-CE1 3.69Å; H400-Y530 AromaticContact NE2-CD1 3.76Å; H400-Y530 AromaticContact NE2-CE1 3.45Å; H400-Y530 WeakPolarHBondContact NE2-CE1 3.26Å
401	L	55	Low	62.8	Low	106 Å²	106	110.2 Å²	110.2	56%	0.555	56%	0.56	S	S	*	*			trans	-102.7	97.8	174.2	-66.8	178.5	0	0	0	107.5	P399 F403	P399-L401 PolarHBondContact O-N 2.94Å; L401-F403 HydrophobicContact CB-CE2 4.4Å; L401-F403 PolarHBondContact O-N 3.02Å
402	D	49.2	Very low	60.3	Low	124 Å²	124	113.1 Å²	113.1	66%	0.663	59%	0.593	S	S	*	*			trans	-73.9	107.3	167.3	-62.3	-27.4	0	0	0	107.7	H400 V404	H400-D402 IonicContact CE1-OD1 3.51Å; H400-D402 PolarHBondContact CE1-OD1 3.36Å; H400-D402 IonicContact CG-OD1 2.89Å; H400-D402 IonicContact ND1-OD1 3.65Å; H400-D402 PolarHBondContact ND1-OD1 2.84Å; D402-V404 PolarHBondContact O-N 3.22Å
403	F	45.5	Very low	57.7	Low	165 Å²	165	118.6 Å²	118.6	72%	0.724	62%	0.618	S	S	*	*			trans	-71.7	108.8	167.6	-67.9	-85.1	0	0	0	107.8	L401 D405	L401-F403 HydrophobicContact CB-CE2 4.4Å; L401-F403 PolarHBondContact O-N 3.02Å; F403-D405 PolarHBondContact O-N 3.26Å
404	V	50.5	Low	55.3	Low	134 Å²	134	124.1 Å²	124.1	81%	0.812	64%	0.642	S	S	*	*			trans	-75.4	108.9	161.2	-99.7	0	0	0	0	107.4	D402 E406	D402-V404 PolarHBondContact O-N 3.22Å; V404-E406 PolarHBondContact O-N 3.25Å
405	D	47.7	Very low	52.8	Low	130 Å²	130	127.3 Å²	127.3	70%	0.695	68%	0.675	S	S	*	*			trans	-63.8	118.6	167.7	-66	-44.4	0	0	0	108.4	F403 E407	F403-D405 PolarHBondContact O-N 3.26Å; D405-E407 PolarHBondContact O-N 2.66Å
406	E	50.5	Low	50.5	Low	200 Å²	200	133.4 Å²	133.4	94%	0.935	71%	0.706	S	S	*	*			trans	-74.6	67	175.6	-70.5	-175.6	157.8	0	0	110.5	V404	V404-E406 PolarHBondContact O-N 3.25Å
407	E	46.4	Very low	48.4	Very low	159 Å²	159	138.7 Å²	138.7	74%	0.743	73%	0.726	S	S	*	*			trans	-103.3	128.5	171.5	-66.3	-162.5	168.2	0	0	111.4	D405	D405-E407 PolarHBondContact O-N 2.66Å
408	N	42.1	Very low	46.4	Very low	121 Å²	121	141.6 Å²	141.6	65%	0.647	74%	0.739	S	S	*	*			trans	102.6	54.4	175.4	-51.5	-66.2	0	0	0	117.9	H410	N408-H410 PolarHBondContact O-N 3.18Å
409	E	40.8	Very low	44.9	Very low	200 Å²	200	147.9 Å²	147.9	94%	0.935	77%	0.765	S	S	*	*			trans	-69.4	99.4	142.7	-71.7	-165.5	154.4	0	0	108.9
410	H	45.5	Very low	43.7	Very low	161 Å²	161	148.3 Å²	148.3	75%	0.745	77%	0.77	S	S	*	*			trans	-89.6	116.7	171.8	-83.6	-48.5	0	0	0	111.1	N408	N408-H410 PolarHBondContact O-N 3.18Å
411	E	38.1	Very low	42.7	Very low	201 Å²	201	148.8 Å²	148.8	94%	0.939	78%	0.784	S	S	*	*			trans	-59.5	131.3	171.2	-60.8	-179.1	140.2	0	0	111.5
412	G	39.4	Very low	41.9	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	80%	0.8	S	S	*	*			trans	-144.4	120.2	171.6	0	0	0	0	0	109.9
413	Q	38.4	Very low	41.4	Very low	187 Å²	187	149.7 Å²	149.7	87%	0.874	80%	0.804	S	S	*	*			trans	-85.8	176.9	-174.9	-61.7	176.5	-84.2	0	0	112.6
414	E	37.9	Very low	41.1	Very low	201 Å²	201	149 Å²	149	94%	0.939	81%	0.808	S	S	*	*			trans	81.2	129.5	173.6	-50.4	176.5	-176.9	0	0	114.9
415	G	37.2	Very low	40.7	Very low	69 Å²	69	149 Å²	149	71%	0.711	80%	0.803	S	S	*	*			cis	-175	156.7	-5.6	0	0	0	0	0	112.5
416	D	38.1	Very low	40.4	Very low	156 Å²	156	150 Å²	150	83%	0.834	81%	0.808	S	S	*	*			trans	33.3	129.9	155.7	-50	-27.2	0	0	0	123.4
417	E	40.4	Very low	39.4	Very low	177 Å²	177	143.6 Å²	143.6	83%	0.827	80%	0.795	S	S	*	*				147.6	117.9	125.4	-77.7	-176.4	-173.7	0	0	114.5
418	E	40.1	Very low	39	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.813	80%	0.804	S	S	*	*			trans	43.2	145.9	137.1	-62.5	-172.2	-176.3	0	0	122.4
419	E	37.6	Very low	38.7	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	81%	0.809	S	S	*	*			cis	-166.2	177.5	-15.5	-133.4	-164.9	-178.3	0	0	108.9
420	S	39.1	Very low	38.2	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	80%	0.799	S	S	*	*			trans	72.4	153.4	166.9	81	0	0	0	0	119.4
421	S	36.4	Very low	37.7	Very low	107 Å²	107	143.4 Å²	143.4	75%	0.748	80%	0.804	S	S	*	*				168	117.8	-52.9	54.5	0	0	0	0	109.9
422	S	39.8	Very low	37.4	Very low	126 Å²	126	140.3 Å²	140.3	88%	0.881	79%	0.794	S	S	*	*			trans	-178.5	146.3	141.1	51.7	0	0	0	0	112.8
423	T	37.6	Very low	37.2	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	80%	0.797	S	S	*	*			trans	-86	158.2	-178.4	50.4	0	0	0	0	112.2
424	D	39.9	Very low	36.8	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	79%	0.792	S	S	*	*				168.8	162.2	96.8	-78.1	-7.5	0	0	0	107.1
425	D	41.2	Very low	36.8	Very low	134 Å²	134	140.2 Å²	140.2	72%	0.717	79%	0.788	S	S	*	*			cis	-169	169.9	-25.4	-177.8	27.2	0	0	0	108
426	L	41	Very low	36.5	Very low	151 Å²	151	144 Å²	144	79%	0.791	79%	0.792	S	S	*	*			trans	68.5	129.4	170	-46.6	176.5	0	0	0	117.9
427	G	30.3	Very low	36.5	Very low	65 Å²	65	146 Å²	146	67%	0.67	79%	0.793	S	S	*	*			cis	106.7	102.5	-3.9	0	0	0	0	0	115.2
428	I	37.7	Very low	36.2	Very low	181 Å²	181	142.4 Å²	142.4	93%	0.928	79%	0.788	S	S	*	*			trans	-171.8	148.4	149.4	-99.7	152.4	0	0	0	111.3
429	Q	35.8	Very low	35.9	Very low	162 Å²	162	139.1 Å²	139.1	76%	0.757	78%	0.784	S	S	*	*			trans	-97	159.3	-165.3	-71.5	171.3	-81	0	0	116.9
430	E	30	Very low	36	Very low	152 Å²	152	137 Å²	137	71%	0.71	78%	0.782	S	S	*	*			trans	10.9	136	136.8	-49.2	173.1	112.8	0	0	120.4
431	V	36.4	Very low	35.8	Very low	142 Å²	142	140.3 Å²	140.3	86%	0.861	78%	0.783	S	S	*	*				-147.8	126.9	127.4	179.9	0	0	0	0	110.4
432	N	30.6	Very low	35.6	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	78%	0.776	S	S	*	*			trans	-78.2	149.7	169.5	-85.3	-54.9	0	0	0	112.6
433	N	34.7	Very low	35.4	Very low	157 Å²	157	140.2 Å²	140.2	84%	0.84	77%	0.771	S	S	*	*			trans	-161.5	121.4	138.6	-113.4	-31.7	0	0	0	114.8
434	N	31.3	Very low	35.1	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	77%	0.767	S	S	*	*			trans	-84.8	152.6	165.6	-72.2	-43.9	0	0	0	110.3
435	N	36.9	Very low	34.9	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	77%	0.765	S	S	*	*			trans	-164.6	147.5	138.6	-107.1	-45.8	0	0	0	115.3
436	N	32.1	Very low	34.4	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	77%	0.772	S	S	*	*			trans	-92.7	154.7	-169.6	-67.3	-59.1	0	0	0	114.7
437	K	36.6	Very low	34.1	Very low	198 Å²	198	137.2 Å²	137.2	86%	0.861	78%	0.776	S	S	*	*			trans	177	113.3	140.6	-98.7	157.4	-178.1	177.8	0	108.6
438	S	34.3	Very low	34.3	Very low	101 Å²	101	139 Å²	139	71%	0.706	78%	0.779	S	S	*	*			cis	88.8	132.6	45.1	78.7	0	0	0	0	115.5
439	S	35.4	Very low	34.1	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	77%	0.774	S	S	*	*			trans	100.9	115.5	159.9	89.3	0	0	0	0	116.3
440	V	38	Very low	33.9	Very low	123 Å²	123	134.2 Å²	134.2	75%	0.745	77%	0.767	S	S	*	*				96.8	133.3	77	153.1	0	0	0	0	110.1
441	K	35.4	Very low	34.1	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	77%	0.772	S	S	*	*			cis	-169.4	158.7	14.6	-129.6	175.5	-152.2	171.4	0	111.9
442	S	33.3	Very low	33.9	Very low	85 Å²	85	136.9 Å²	136.9	59%	0.594	77%	0.771	S	S	*	*			trans	27.3	151.8	136.7	63.2	0	0	0	0	122.6
443	N	34	Very low	33.9	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	78%	0.78	S	S	*	*			cis	-173.2	144.5	10.1	-113.5	9.8	0	0	0	113.2
444	S	31.8	Very low	33.7	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	77%	0.774	S	S	*	*				55.7	157.1	129.4	77	0	0	0	0	126.4
445	S	35.3	Very low	33.9	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	78%	0.781	S	S	*	*			trans	82.5	145.3	166	74.4	0	0	0	0	117.1
446	L	32.4	Very low	33.7	Very low	165 Å²	165	136.6 Å²	136.6	86%	0.864	77%	0.769	S	S	*	*			cis	152.3	134.5	-20.4	-104.4	164.1	0	0	0	106.6
447	S	34.2	Very low	33.9	Very low	127 Å²	127	138.7 Å²	138.7	89%	0.888	77%	0.771	S	S	*	*			trans	127.3	160.8	147.2	74	0	0	0	0	116.1
448	S	33	Very low	33.8	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	77%	0.767	S	S	*	*			trans	-121.1	152.3	-150.6	52.2	0	0	0	0	113.3
449	D	34.7	Very low	34.1	Very low	155 Å²	155	135.3 Å²	135.3	83%	0.829	77%	0.77	S	S	*	*			trans	-175.4	161.9	146	-99.6	-38.5	0	0	0	108.7
450	S	32.2	Very low	34.2	Very low	87 Å²	87	136.6 Å²	136.6	61%	0.608	77%	0.773	S	S	*	*			cis	172.7	175.1	-42.9	61.1	0	0	0	0	105.6
451	L	34	Very low	34	Very low	155 Å²	155	135.7 Å²	135.7	81%	0.812	77%	0.772	S	S	*	*			trans	79.9	109.1	-177.1	-46.6	172.6	0	0	0	115.3
452	K	30.9	Very low	34.3	Very low	194 Å²	194	132.3 Å²	132.3	84%	0.843	77%	0.768	S	S	*	*				85.4	116.2	54.8	-80.8	-174.2	173.6	174.1	0	115.4
453	C	31.3	Very low	34.3	Very low	135 Å²	135	135.8 Å²	135.8	91%	0.912	78%	0.779	S	S	*	*			trans	-156.6	131.1	144.3	-96.3	0	0	0	0	109.7
454	N	30	Very low	34.2	Very low	135 Å²	135	134.6 Å²	134.6	72%	0.722	78%	0.781	S	S	*	*			trans	-133	144.4	-173.6	-95.9	-14.4	0	0	0	111
455	F	34.9	Very low	34.2	Very low	207 Å²	207	140.9 Å²	140.9	91%	0.908	79%	0.79	S	S	*	*			trans	-159.4	101.4	150.9	-87.2	-75.2	0	0	0	108.4
456	N	34.8	Very low	34.3	Very low	115 Å²	115	140.6 Å²	140.6	62%	0.615	79%	0.786	S	S	*	*				61.2	106.8	73.8	-77.1	-30.9	0	0	0	115.1
457	K	34.9	Very low	34.3	Very low	193 Å²	193	137.9 Å²	137.9	84%	0.839	78%	0.78	S	S	*	*				82.2	148.5	98.8	-80.6	-177.6	176.4	-178.8	0	114.1
458	S	35.7	Very low	34.3	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	78%	0.78	S	S	*	*			cis	-168.6	173.2	6.8	32.9	0	0	0	0	112.2
459	P	39.7	Very low	34.3	Very low	118 Å²	118	141.1 Å²	141.1	77%	0.766	78%	0.778	S	S	*	*			trans	-115.2	166.4	-172.6	41.7	-33.3	0	0	0	117.1
460	T	37.7	Very low	34.2	Very low	133 Å²	133	141.4 Å²	141.4	82%	0.816	78%	0.778	S	S	*	*			trans	172	118.2	156.5	39.3	0	0	0	0	111
461	S	34.3	Very low	34.3	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	79%	0.792	S	S	*	*				68.4	156.5	82.4	76	0	0	0	0	117.7
462	P	40.6	Very low	34.2	Very low	106 Å²	106	145.6 Å²	145.6	69%	0.688	79%	0.789	S	S	*	*			cis	-140.6	-161.2	-40	38.8	-18	0	0	0	114.3
463	L	34.6	Very low	34.4	Very low	158 Å²	158	143.8 Å²	143.8	83%	0.827	79%	0.788	S	S	*	*			trans	79.3	148.7	170.5	-56	136.9	0	0	0	116.8
464	C	31.1	Very low	34.5	Very low	121 Å²	121	141.8 Å²	141.8	82%	0.818	78%	0.776	S	S	*	*			cis	-150.9	174.4	1	-141	0	0	0	0	114.7
465	R	32.7	Very low	34.9	Very low	229 Å²	229	140.9 Å²	140.9	86%	0.864	78%	0.777	S	S	*	*			trans	-89.3	-170.1	-169.1	-107.5	-176.9	-174.1	-171.3	3.2	114.3
466	P	37.5	Very low	34.7	Very low	102 Å²	102	137.7 Å²	137.7	66%	0.662	77%	0.769	S	S	*	*			cis	-148.8	-178.7	-25.9	38.7	-18.3	0	0	0	118.7
467	S	30.7	Very low	34.8	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	78%	0.778	S	S	*	*				95.3	132.7	129.4	-83.6	0	0	0	0	125.1
468	K	35.8	Very low	35	Very low	203 Å²	203	134.3 Å²	134.3	88%	0.883	77%	0.77	S	S	*	*			trans	101.8	132.4	160.7	-60.2	175.5	-175.7	179.1	0	115.7
469	S	31.6	Very low	35	Very low	95 Å²	95	133.8 Å²	133.8	66%	0.664	76%	0.764	S	S	*	*			cis	-174.7	158.5	-14	49.7	0	0	0	0	111.2
470	L	32.5	Very low	34.8	Very low	161 Å²	161	133.4 Å²	133.4	84%	0.843	76%	0.762	S	S	*	*			trans	89.5	140.7	158.8	-64	155.5	0	0	0	120.3
471	L	34.6	Very low	35	Very low	172 Å²	172	139.5 Å²	139.5	90%	0.901	77%	0.77	S	S	*	*			trans	70.4	97.6	173.2	-59.1	174.9	0	0	0	117
472	H	33	Very low	35.1	Very low	159 Å²	159	139.4 Å²	139.4	74%	0.736	77%	0.765	S	S	*	*			trans	-96.4	100.1	-177.4	-176.1	2.5	0	0	0	110
473	N	35.4	Very low	34.9	Very low	155 Å²	155	138.3 Å²	138.3	83%	0.829	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-78.6	125.8	153.8	-74.4	-2.7	0	0	0	106.8
474	S	32.3	Very low	35.3	Very low	94 Å²	94	137.1 Å²	137.1	66%	0.657	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-76.8	124.4	171.3	-66	0	0	0	0	108.7
475	P	38.2	Very low	35.6	Very low	116 Å²	116	136.3 Å²	136.3	75%	0.753	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-62.8	139.4	168.4	-12	26.2	0	0	0	108.6	T477	P475-T477 PolarHBondContact O-N 3.36Å
476	L	31.5	Very low	35.6	Very low	140 Å²	140	129.8 Å²	129.8	73%	0.733	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-55.8	134.1	167.1	-71.2	165.9	0	0	0	108.5
477	T	35.7	Very low	35.6	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-56.8	129.7	173.1	28.3	0	0	0	0	109.1	P475	P475-T477 PolarHBondContact O-N 3.36Å
478	P	39.1	Very low	35.7	Very low	106 Å²	106	131.1 Å²	131.1	69%	0.688	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-58.4	147.8	176.6	25.6	-34.2	0	0	0	109.7
479	P	36.6	Very low	35.9	Very low	99 Å²	99	125 Å²	125	64%	0.643	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-55.2	143.9	178.5	23	-33.2	0	0	0	110.1	R481	P479-R481 PolarHBondContact O-N 3.23Å
480	P	36.1	Very low	36.7	Very low	111 Å²	111	125.7 Å²	125.7	72%	0.721	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-53.6	126.4	-176.8	-26.6	34.5	0	0	0	111.4	V482	P480-V482 HydrophobicContact CB-CG2 3.83Å; P480-V482 PolarHBondContact O-N 2.88Å
481	R	40.5	Very low	37.1	Very low	261 Å²	261	123.4 Å²	123.4	99%	0.985	69%	0.69	S	S	*	*			trans	-72.3	61.7	167.4	-75.4	-173	176.1	174.5	-0.8	110.4	P479	P479-R481 PolarHBondContact O-N 3.23Å
482	V	37.2	Very low	37.6	Very low	101 Å²	101	119.1 Å²	119.1	61%	0.612	67%	0.672	S	S	*	*			trans	-97.8	115.1	168.2	-174.8	0	0	0	0	106	P480 I484	P480-V482 HydrophobicContact CB-CG2 3.83Å; P480-V482 PolarHBondContact O-N 2.88Å; V482-I484 VanDerWaalsContact C-N 3.27Å; V482-I484 PolarHBondContact O-N 3.44Å
483	S	35.8	Very low	38.5	Very low	83 Å²	83	117.9 Å²	117.9	58%	0.58	68%	0.681	S	S	*	*			trans	-66.6	96.7	163.3	-166.2	0	0	0	0	106.2	W485	S483-W485 WeakPolarHBondContact CB-O 3.39Å; S483-W485 PolarHBondContact O-N 2.98Å; S483-W485 VanDerWaalsContact O-N 3.13Å; S483-W485 PolarHBondContact OG-O 2.79Å
484	I	43.7	Very low	39	Very low	134 Å²	134	113.4 Å²	113.4	69%	0.687	66%	0.658	S	S	*	*	S	Bend	trans	-58.2	-26.1	-178.6	-65.9	166.3	0	0	0	110.5	V482	V482-I484 VanDerWaalsContact C-N 3.27Å; V482-I484 PolarHBondContact O-N 3.44Å
485	W	36.5	Very low	39.6	Very low	103 Å²	103	113.9 Å²	113.9	39%	0.39	66%	0.659	S	S	.	*	S	Bend	trans	-107.9	139.2	174.3	-55.9	105.5	0	0	0	110.9	S483	S483-W485 WeakPolarHBondContact CB-O 3.39Å; S483-W485 PolarHBondContact O-N 2.98Å; S483-W485 VanDerWaalsContact O-N 3.13Å; S483-W485 PolarHBondContact OG-O 2.79Å
486	P	34.4	Very low	39.9	Very low	92 Å²	92	114 Å²	114	60%	0.597	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-61.3	139.2	166.9	27.6	-33	0	0	0	109.4
487	Q	35.9	Very low	40.3	Very low	165 Å²	165	115 Å²	115	77%	0.771	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-60.4	134.8	169.5	-67.5	-100.1	-38.8	0	0	108.4
488	P	33.9	Very low	40.4	Very low	73 Å²	73	114.7 Å²	114.7	47%	0.474	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-58.7	144.8	175.8	24.9	-33.4	0	0	0	109.8
489	P	39.2	Very low	39.9	Very low	75 Å²	75	115.3 Å²	115.3	49%	0.487	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-59.4	145	-179.9	26	-34.3	0	0	0	110.1	N538	P489-N538 HydrophobicContact CG-CB 4.15Å
490	P	49.1	Very low	39.8	Very low	110 Å²	110	119.7 Å²	119.7	71%	0.714	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-57.7	145.2	177.2	25.1	-33.9	0	0	0	110.2
491	P	40.1	Very low	39.5	Very low	113 Å²	113	119.1 Å²	119.1	73%	0.734	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-57.8	146.4	179.4	24.9	-34.3	0	0	0	110.5	S493	P491-S493 PolarHBondContact O-N 2.93Å
492	P	44.6	Very low	39	Very low	81 Å²	81	112.5 Å²	112.5	53%	0.526	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-55.6	140.3	177.3	23.8	-33.4	0	0	0	110.1	D494	P492-D494 PolarHBondContact O-N 2.95Å
493	S	52.3	Low	38.7	Very low	133 Å²	133	116.1 Å²	116.1	93%	0.93	65%	0.646	S	S	*	*	S	Bend	trans	-65.9	-0.9	-170.9	48.7	0	0	0	0	115.4	P491	P491-S493 PolarHBondContact O-N 2.93Å
494	D	46.7	Very low	38.6	Very low	62 Å²	62	117.5 Å²	117.5	33%	0.332	65%	0.651	S	S	.	*			trans	-142.6	103.4	176.8	-175.3	-5	0	0	0	110.1	P492 T496 K497	P492-D494 PolarHBondContact O-N 2.95Å; D494-T496 VanDerWaalsContact CG-OG1 3.29Å; D494-T496 PolarHBondContact O-N 3.18Å; D494-T496 VanDerWaalsContact O-N 3.15Å; D494-T496 WeakPolarHBondContact OD1-CB 3.41Å; D494-T496 PolarHBondContact OD1-N 3.05Å; D494-T496 PolarHBondContact OD1-OG1 2.93Å; D494-T496 PolarHBondContact OD2-OG1 2.89Å; D494-K497 PolarHBondContact O-N 2.79Å
495	P	44	Very low	38	Very low	104 Å²	104	118.4 Å²	118.4	68%	0.675	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-70.1	-3.7	179.2	29.3	-34.7	0	0	0	113.6
496	T	45.6	Very low	38	Very low	117 Å²	117	120 Å²	120	72%	0.718	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-86.5	-7.2	179.8	71.4	0	0	0	0	114.2	D494	D494-T496 VanDerWaalsContact CG-OG1 3.29Å; D494-T496 PolarHBondContact O-N 3.18Å; D494-T496 VanDerWaalsContact O-N 3.15Å; D494-T496 WeakPolarHBondContact OD1-CB 3.41Å; D494-T496 PolarHBondContact OD1-N 3.05Å; D494-T496 PolarHBondContact OD1-OG1 2.93Å; D494-T496 PolarHBondContact OD2-OG1 2.89Å
497	K	39.9	Very low	37.9	Very low	162 Å²	162	122.6 Å²	122.6	70%	0.704	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-93	9.3	-179.4	-75.8	-169.8	176.6	-177	0	116	D494 T499	D494-K497 PolarHBondContact O-N 2.79Å; K497-T499 PolarHBondContact O-N 2.95Å; K497-T499 PolarHBondContact O-OG1 3.34Å
498	L	36.5	Very low	37.8	Very low	124 Å²	124	120.2 Å²	120.2	65%	0.649	68%	0.679	S	S	*	*			trans	-71.2	78.7	171.4	-82.8	159.6	0	0	0	110.7	Y500	L498-Y500 PolarHBondContact O-N 2.86Å
499	T	29.9	Very low	38	Very low	118 Å²	118	124.1 Å²	124.1	72%	0.724	70%	0.695	S	S	*	*			trans	-82.3	94.8	176.7	-27.7	0	0	0	0	108.2	K497 T501	K497-T499 PolarHBondContact O-N 2.95Å; K497-T499 PolarHBondContact O-OG1 3.34Å; T499-T501 PolarHBondContact O-N 3.46Å
500	Y	34.6	Very low	37.5	Very low	191 Å²	191	128.4 Å²	128.4	75%	0.749	71%	0.714	S	S	*	*			trans	-68.8	98.6	166.2	-77.4	-91.1	0	0	0	108.2	L498 T502	L498-Y500 PolarHBondContact O-N 2.86Å; Y500-T502 PolarHBondContact O-N 2.89Å
501	T	29.3	Very low	37	Very low	99 Å²	99	128 Å²	128	61%	0.607	71%	0.714	S	S	*	*			trans	-68.6	101.2	168.7	44.4	0	0	0	0	108.6	T499 F503	T499-T501 PolarHBondContact O-N 3.46Å; T501-F503 PolarHBondContact O-N 3.28Å; T501-F503 VanDerWaalsContact O-N 3.1Å
502	T	30.7	Very low	36.7	Very low	122 Å²	122	129.4 Å²	129.4	75%	0.748	72%	0.715	S	S	*	*			trans	-59.4	112.7	165.1	-44.1	0	0	0	0	107.8	Y500 T504	Y500-T502 PolarHBondContact O-N 2.89Å; T502-T504 VanDerWaalsContact C-N 3.32Å; T502-T504 PolarHBondContact O-N 3.47Å
503	F	30	Very low	36.3	Very low	177 Å²	177	137 Å²	137	78%	0.776	74%	0.735	S	S	*	*			trans	-69.4	91.3	174	-75.7	-81.7	0	0	0	109.5	T501	T501-F503 PolarHBondContact O-N 3.28Å; T501-F503 VanDerWaalsContact O-N 3.1Å
504	T	34.1	Very low	35.5	Very low	112 Å²	112	137.3 Å²	137.3	69%	0.687	73%	0.726	S	S	*	*			trans	-81.6	130.7	163.9	49.4	0	0	0	0	109.3	T502 I506	T502-T504 VanDerWaalsContact C-N 3.32Å; T502-T504 PolarHBondContact O-N 3.47Å; T504-I506 PolarHBondContact O-N 3.01Å
505	N	31.8	Very low	35	Very low	154 Å²	154	142.2 Å²	142.2	82%	0.824	75%	0.753	S	S	*	*			trans	-28	113.4	178.1	-73.2	-8.3	0	0	0	114.7	N507	N505-N507 PolarHBondContact O-N 3.32Å
506	I	34.8	Very low	34.7	Very low	135 Å²	135	143.5 Å²	143.5	69%	0.692	75%	0.754	S	S	*	*			trans	-88.4	90.8	165.8	-62	179.6	0	0	0	107.7	T504 T508	T504-I506 PolarHBondContact O-N 3.01Å; I506-T508 VanDerWaalsContact C-N 3.33Å; I506-T508 HydrophobicContact CG2-CG2 3.69Å; I506-T508 PolarHBondContact O-N 3Å; I506-T508 VanDerWaalsContact O-N 3.12Å
507	N	33.8	Very low	34.3	Very low	147 Å²	147	144.5 Å²	144.5	79%	0.786	76%	0.755	S	S	*	*			trans	-75.4	88.1	160.8	-86.4	1.7	0	0	0	108.7	N505 N509	N505-N507 PolarHBondContact O-N 3.32Å; N507-N509 PolarHBondContact O-N 3.02Å
508	T	33.9	Very low	34.3	Very low	116 Å²	116	144 Å²	144	71%	0.712	76%	0.76	S	S	*	*			trans	-82.5	99.6	166.8	29.2	0	0	0	0	110.4	I506 N510	I506-T508 VanDerWaalsContact C-N 3.33Å; I506-T508 HydrophobicContact CG2-CG2 3.69Å; I506-T508 PolarHBondContact O-N 3Å; I506-T508 VanDerWaalsContact O-N 3.12Å; T508-N510 PolarHBondContact O-N 3.18Å
509	N	37.1	Very low	34.3	Very low	154 Å²	154	146.3 Å²	146.3	82%	0.824	77%	0.773	S	S	*	*			trans	-63.7	121.3	166.2	-80.5	-23	0	0	0	110.2	N507	N507-N509 PolarHBondContact O-N 3.02Å
510	N	29.5	Very low	34.6	Very low	166 Å²	166	145 Å²	145	89%	0.888	77%	0.774	S	S	*	*			trans	-55.8	136	168.6	-88.6	-35	0	0	0	111.6	T508	T508-N510 PolarHBondContact O-N 3.18Å
511	S	37.2	Very low	34.7	Very low	100 Å²	100	143.6 Å²	143.6	70%	0.699	78%	0.779	S	S	*	*			trans	-158.4	123.1	144.5	45.3	0	0	0	0	112.5
512	N	35.3	Very low	35.2	Very low	143 Å²	143	146 Å²	146	77%	0.765	79%	0.789	S	S	*	*			trans	56.9	101.7	153.3	-57.2	-22.8	0	0	0	119
513	Y	34.6	Very low	35.7	Very low	240 Å²	240	147.2 Å²	147.2	94%	0.941	79%	0.79	S	S	*	*				-146	117	118.8	-108.5	-75	0	0	0	111.1
514	N	36.3	Very low	36	Very low	140 Å²	140	146.5 Å²	146.5	75%	0.749	79%	0.794	S	S	*	*			trans	-72.2	137.4	171.6	-71.5	-28.9	0	0	0	110.3
515	N	36	Very low	36.3	Very low	166 Å²	166	149.5 Å²	149.5	89%	0.888	80%	0.801	S	S	*	*				-157.2	146.3	128.9	-114.6	-26.4	0	0	0	112.9
516	N	38.3	Very low	36.7	Very low	130 Å²	130	148 Å²	148	70%	0.695	80%	0.797	S	S	*	*			trans	-90	168.9	-168.5	-64.4	-38	0	0	0	113.8
517	N	37.4	Very low	37.1	Very low	138 Å²	138	150.3 Å²	150.3	74%	0.738	81%	0.805	S	S	*	*			trans	72.9	116.7	154.9	-55.7	-24.3	0	0	0	115.5
518	N	38.8	Very low	37.5	Very low	153 Å²	153	147 Å²	147	82%	0.818	79%	0.79	S	S	*	*			cis	-165.3	162.6	48	-81.3	-62	0	0	0	112.3
519	N	36.6	Very low	37.8	Very low	171 Å²	171	146.7 Å²	146.7	91%	0.914	78%	0.783	S	S	*	*			trans	-63.2	131.3	173.4	-60.5	-25	0	0	0	113.3
520	A	37.3	Very low	38.3	Very low	90 Å²	90	144.2 Å²	144.2	74%	0.744	76%	0.763	S	S	*	*			trans	-153.9	147.4	145.7	0	0	0	0	0	108.4	D522	A520-D522 PolarHBondContact O-N 3.18Å
521	N	36.2	Very low	39.3	Very low	162 Å²	162	137.3 Å²	137.3	87%	0.866	73%	0.729	S	S	*	*			trans	-69.5	127.8	178.2	-56.4	-29.2	0	0	0	109.7
522	D	39.9	Very low	39.8	Very low	151 Å²	151	137.1 Å²	137.1	81%	0.807	72%	0.717	S	S	*	*			trans	-129	141	155	-91.9	-43.3	0	0	0	108.7	A520 N524	A520-D522 PolarHBondContact O-N 3.18Å; D522-N524 PolarHBondContact O-N 2.94Å
523	N	40.5	Very low	40.5	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	70%	0.704	S	S	*	*			trans	-79	120.5	179.4	-55.8	-52.3	0	0	0	108.1	E525	N523-E525 PolarHBondContact O-N 2.97Å
524	N	37.2	Very low	41.5	Very low	162 Å²	162	128.9 Å²	128.9	87%	0.866	69%	0.685	S	S	*	*			trans	-72.4	81.7	167.9	-76.7	-5	0	0	0	109.2	D522 T526	D522-N524 PolarHBondContact O-N 2.94Å; N524-T526 PolarHBondContact O-N 3.31Å
525	E	39.6	Very low	42.1	Very low	175 Å²	175	125.6 Å²	125.6	82%	0.818	67%	0.667	S	S	*	*			trans	-66.7	117.9	152.9	-68	-176.3	169.8	0	0	106.7	N523 E527	N523-E525 PolarHBondContact O-N 2.97Å; E525-E527 PolarHBondContact O-N 3.43Å
526	T	40.9	Very low	42.8	Very low	122 Å²	122	127.1 Å²	127.1	75%	0.748	67%	0.666	S	S	*	*			trans	-64.8	105.9	172.8	28.1	0	0	0	0	108.7	N524 T528	N524-T526 PolarHBondContact O-N 3.31Å; T526-T528 PolarHBondContact O-N 2.85Å
527	E	42.1	Very low	43.6	Very low	185 Å²	185	123.2 Å²	123.2	86%	0.864	65%	0.647	S	S	*	*			trans	-60.1	105.4	174	-79.7	-168.2	136.7	0	0	109.5	E525 I529	E525-E527 PolarHBondContact O-N 3.43Å; E527-I529 PolarHBondContact O-N 2.68Å
528	T	42.1	Very low	44.9	Very low	76 Å²	76	121.6 Å²	121.6	47%	0.466	64%	0.639	S	S	.	*			trans	-66.4	100.5	174.7	15.4	0	0	0	0	109.8	T526 Y530	T526-T528 PolarHBondContact O-N 2.85Å; T528-Y530 WeakPolarHBondContact O-CD2 3.35Å; T528-Y530 PolarHBondContact O-N 2.83Å; T528-Y530 VanDerWaalsContact O-N 3.12Å
529	I	42	Very low	46.3	Very low	111 Å²	111	118.7 Å²	118.7	57%	0.569	62%	0.62	S	S	*	*			trans	-72.5	104.3	174.3	-59.1	177.3	0	0	0	108.6	E527 I534	E527-I529 PolarHBondContact O-N 2.68Å; I529-I534 HydrophobicContact CG2-CD1 4.37Å; I529-I534 HydrophobicContact CG2-CG1 4.23Å
530	Y	46.6	Very low	48.5	Very low	102 Å²	102	113.5 Å²	113.5	40%	0.4	59%	0.592	S	S	.	*			trans	-70.7	142.3	176.2	-60.3	-82.8	0	0	0	111.2	H400 T528 H532 Q533	H400-Y530 AromaticContact CD2-CD1 3.75Å; H400-Y530 AromaticContact CD2-CE1 3.69Å; H400-Y530 AromaticContact NE2-CD1 3.76Å; H400-Y530 AromaticContact NE2-CE1 3.45Å; H400-Y530 WeakPolarHBondContact NE2-CE1 3.26Å; T528-Y530 WeakPolarHBondContact O-CD2 3.35Å; T528-Y530 PolarHBondContact O-N 2.83Å; T528-Y530 VanDerWaalsContact O-N 3.12Å; Y530-H532 WeakPolarHBondContact CB-CE1 3.28Å; Y530-H532 VanDerWaalsContact CB-ND1 3.28Å; Y530-H532 WeakPolarHBondContact CB-ND1 3.23Å; Y530-H532 AromaticContact CD2-CE1 3.64Å; Y530-H532 AromaticContact CG-CE1 3.41Å; Y530-H532 VanDerWaalsContact CG-CE1 3.41Å; Y530-H532 AromaticContact CG-ND1 3.84Å; Y530-H532 PolarHBondContact O-N 3.5Å; Y530-Q533 VanDerWaalsContact O-CB 3.3Å; Y530-Q533 WeakPolarHBondContact O-CB 3.48Å; Y530-Q533 PolarHBondContact O-N 3.22Å
531	A	50.7	Low	50.8	Low	21 Å²	21	111.5 Å²	111.5	17%	0.174	57%	0.567	C	S	.	*	H	α-helix	trans	-55.3	-30	176.5	0	0	0	0	0	113.5	Q533 I534 N535	A531-Q533 PolarHBondContact O-N 2.78Å; A531-I534 PolarHBondContact O-N 3.45Å; A531-N535 WeakPolarHBondContact O-CB 3.24Å; A531-N535 PolarHBondContact O-N 2.99Å; A531-N535 VanDerWaalsContact O-N 3.17Å
532	H	48.2	Very low	53.2	Low	96 Å²	96	104.4 Å²	104.4	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-25.5	174.2	72.6	-115.4	0	0	0	113.5	Y530 I534 N535	Y530-H532 WeakPolarHBondContact CB-CE1 3.28Å; Y530-H532 VanDerWaalsContact CB-ND1 3.28Å; Y530-H532 WeakPolarHBondContact CB-ND1 3.23Å; Y530-H532 AromaticContact CD2-CE1 3.64Å; Y530-H532 AromaticContact CG-CE1 3.41Å; Y530-H532 VanDerWaalsContact CG-CE1 3.41Å; Y530-H532 AromaticContact CG-ND1 3.84Å; Y530-H532 PolarHBondContact O-N 3.5Å; H532-I534 VanDerWaalsContact C-N 3.26Å; H532-I534 PolarHBondContact O-N 3.42Å; H532-N535 PolarHBondContact O-N 2.97Å
533	Q	50.2	Low	55.3	Low	105 Å²	105	99.3 Å²	99.3	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-74.2	-19.8	175.8	-61.3	175.8	-25.4	0	0	112.3	Y530 A531	Y530-Q533 VanDerWaalsContact O-CB 3.3Å; Y530-Q533 WeakPolarHBondContact O-CB 3.48Å; Y530-Q533 PolarHBondContact O-N 3.22Å; A531-Q533 PolarHBondContact O-N 2.78Å
534	I	53.9	Low	57.2	Low	105 Å²	105	93.9 Å²	93.9	54%	0.538	47%	0.47	S	S	.	.	H	α-helix	trans	-94.5	-20.8	178.7	-31.4	176.9	0	0	0	110.9	I529 A531 H532 F536	I529-I534 HydrophobicContact CG2-CD1 4.37Å; I529-I534 HydrophobicContact CG2-CG1 4.23Å; A531-I534 PolarHBondContact O-N 3.45Å; H532-I534 VanDerWaalsContact C-N 3.26Å; H532-I534 PolarHBondContact O-N 3.42Å; I534-F536 PolarHBondContact O-N 3.08Å
535	N	49.5	Very low	59.3	Low	70 Å²	70	90.2 Å²	90.2	37%	0.374	45%	0.445	S	S	.	.			trans	-97.8	87	-169.4	-156.4	26.1	0	0	0	111.9	A531 H532 T537 E541	A531-N535 WeakPolarHBondContact O-CB 3.24Å; A531-N535 PolarHBondContact O-N 2.99Å; A531-N535 VanDerWaalsContact O-N 3.17Å; H532-N535 PolarHBondContact O-N 2.97Å; N535-T537 PolarHBondContact O-N 3.39Å; N535-T537 WeakPolarHBondContact OD1-CG2 3.23Å; N535-E541 PolarHBondContact ND2-OE1 3.38Å
536	F	51.6	Low	61.5	Low	198 Å²	198	84.2 Å²	84.2	87%	0.868	42%	0.417	S	S	*	.			trans	-71.3	57.3	176.9	-66.2	-82.6	0	0	0	113.5	I534	I534-F536 PolarHBondContact O-N 3.08Å
537	T	54.4	Low	63.8	Low	49 Å²	49	79 Å²	79	30%	0.301	38%	0.384	S	S	.	.			trans	-91.6	135.7	169.9	91.6	0	0	0	0	110.1	N535 Q539	N535-T537 PolarHBondContact O-N 3.39Å; N535-T537 WeakPolarHBondContact OD1-CG2 3.23Å; T537-Q539 PolarHBondContact O-N 3.37Å; T537-Q539 PolarHBondContact OG1-N 3.01Å; T537-Q539 PolarHBondContact OG1-O 3.06Å
538	N	63.7	Low	66	Low	104 Å²	104	72.8 Å²	72.8	56%	0.556	35%	0.352	S	S	*	.	S	Bend	trans	-79.1	16.9	170.4	-76.2	2.1	0	0	0	112.2	P489	P489-N538 HydrophobicContact CG-CB 4.15Å
539	Q	69.1	Low	68.2	Low	91 Å²	91	72.7 Å²	72.7	43%	0.425	35%	0.346	S	S	.	.	S	Bend	trans	-103.9	148.7	-177.4	-65.6	-176.3	-44.6	0	0	109.3	V395 T537 E541	V395-Q539 HydrophobicContact CG1-CB 4.14Å; V395-Q539 VanDerWaalsContact CG1-OE1 3.23Å; T537-Q539 PolarHBondContact O-N 3.37Å; T537-Q539 PolarHBondContact OG1-N 3.01Å; T537-Q539 PolarHBondContact OG1-O 3.06Å; Q539-E541 PolarHBondContact O-N 3Å
540	L	83.2	Confident	70.6	Confident	62 Å²	62	69.9 Å²	69.9	33%	0.325	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	117.1	176.5	-67	165	0	0	0	108.2	A394 V395 L542	A394-L540 CarbonylContact C-O 3.57Å; A394-L540 WeakPolarHBondContact CA-O 3.47Å; A394-L540 HydrophobicContact CB-CB 4.37Å; A394-L540 WeakPolarHBondContact CB-O 3.15Å; V395-L540 PolarHBondContact N-O 2.91Å; L540-L542 HydrophobicContact CB-CG 4.46Å
541	E	85.6	Confident	72.8	Confident	48 Å²	48	65.6 Å²	65.6	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.6	164.1	-49.7	-145.5	157.3	0	0	107.8	V395 N535 Q539	V395-E541 HydrophobicContact CG2-CB 4.13Å; V395-E541 HydrophobicContact CG2-CG 3.64Å; V395-E541 WeakPolarHBondContact O-CA 3.13Å; N535-E541 PolarHBondContact ND2-OE1 3.38Å; Q539-E541 PolarHBondContact O-N 3Å
542	L	85.8	Confident	74.7	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.7	179.5	-66.3	177.9	0	0	0	111	P388 A394 V395 E397 L540 E546 R547	P388-L542 HydrophobicContact CB-CD1 4.05Å; P388-L542 HydrophobicContact CG-CD1 3.63Å; A394-L542 HydrophobicContact CB-CB 4.42Å; A394-L542 HydrophobicContact CB-CD1 3.62Å; A394-L542 HydrophobicContact CB-CG 3.95Å; V395-L542 PolarHBondContact O-N 2.69Å; E397-L542 PolarHBondContact N-O 2.95Å; E397-L542 VanDerWaalsContact N-O 3.08Å; L540-L542 HydrophobicContact CB-CG 4.46Å; L542-E546 HydrophobicContact CB-CB 4.33Å; L542-E546 HydrophobicContact CD2-CB 4.19Å; L542-R547 HydrophobicContact CB-CG 3.72Å; L542-R547 WeakPolarHBondContact O-CD 3.28Å
543	N	83.9	Confident	76.9	Confident	44 Å²	44	65.3 Å²	65.3	24%	0.235	31%	0.309	C	S	.	.			trans	-74.8	167.9	175.5	75.6	47.1	0	0	0	111.6	E397 Y545 E546 R547	E397-N543 HydrophobicContact CB-CB 4.36Å; E397-N543 WeakPolarHBondContact OE2-CB 3.36Å; N543-Y545 VanDerWaalsContact C-N 3.29Å; N543-Y545 PolarHBondContact O-N 2.77Å; N543-Y545 WeakPolarHBondContact OD1-CA 3.45Å; N543-Y545 WeakPolarHBondContact OD1-CB 3.48Å; N543-Y545 PolarHBondContact OD1-N 3.16Å; N543-E546 PolarHBondContact N-OE2 2.88Å; N543-E546 VanDerWaalsContact ND2-CD 3.29Å; N543-E546 PolarHBondContact ND2-OE2 3.21Å; N543-E546 PolarHBondContact O-N 3.13Å; N543-E546 WeakPolarHBondContact OD1-CG 3.3Å; N543-E546 PolarHBondContact OD1-N 2.9Å; N543-R547 WeakPolarHBondContact O-CG 3.46Å; N543-R547 PolarHBondContact O-N 3.27Å
544	W	80.4	Confident	79	Confident	31 Å²	31	61.9 Å²	61.9	12%	0.117	29%	0.293	C	S	.	.	H	α-helix	trans	-58.4	-37.8	-176	174.5	-127.5	0	0	0	113.9	P337 R339 F341 R548	P337-W544 VanDerWaalsContact O-CD1 3.26Å; P337-W544 PolarHBondContact O-NE1 3.32Å; P337-W544 VanDerWaalsContact O-NE1 3.16Å; R339-W544 HydrophobicContact CB-CD2 4.43Å; R339-W544 HydrophobicContact CB-CE3 4.44Å; R339-W544 HydrophobicContact CB-CH2 3.48Å; R339-W544 VanDerWaalsContact CB-CH2 3.48Å; R339-W544 HydrophobicContact CB-CZ2 3.36Å; R339-W544 HydrophobicContact CB-CZ3 4.02Å; R339-W544 HydrophobicContact CG-CH2 4.19Å; R339-W544 HydrophobicContact CG-CZ2 4.33Å; F341-W544 HydrophobicContact CE2-CZ3 4.21Å; F341-W544 AromaticContact CZ-CZ3 3.86Å; F341-W544 HydrophobicContact CZ-CZ3 3.86Å; W544-R548 VanDerWaalsContact CZ2-NH1 3.34Å; W544-R548 PolarHBondContact O-N 2.81Å
545	Y	80.9	Confident	81	Confident	86 Å²	86	57 Å²	57	34%	0.337	27%	0.268	S	S	.	.	H	α-helix	trans	-70.4	-43.3	179.8	174.3	-99.2	0	0	0	111.8	Y59 N543 R548 K549	Y59-Y545 HydrophobicContact CE1-CE1 4.5Å; N543-Y545 VanDerWaalsContact C-N 3.29Å; N543-Y545 PolarHBondContact O-N 2.77Å; N543-Y545 WeakPolarHBondContact OD1-CA 3.45Å; N543-Y545 WeakPolarHBondContact OD1-CB 3.48Å; N543-Y545 PolarHBondContact OD1-N 3.16Å; Y545-R548 PolarHBondContact O-N 3.42Å; Y545-K549 HydrophobicContact CE1-CD 4.44Å; Y545-K549 WeakPolarHBondContact O-CB 3.43Å; Y545-K549 PolarHBondContact O-N 2.96Å
546	E	87.2	Confident	83.1	Confident	49 Å²	49	54.7 Å²	54.7	23%	0.229	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-42.8	176.7	-69	172.2	143.5	0	0	112.3	L542 N543 R548 K549 Y550	L542-E546 HydrophobicContact CB-CB 4.33Å; L542-E546 HydrophobicContact CD2-CB 4.19Å; N543-E546 PolarHBondContact N-OE2 2.88Å; N543-E546 VanDerWaalsContact ND2-CD 3.29Å; N543-E546 PolarHBondContact ND2-OE2 3.21Å; N543-E546 PolarHBondContact O-N 3.13Å; N543-E546 WeakPolarHBondContact OD1-CG 3.3Å; N543-E546 PolarHBondContact OD1-N 2.9Å; E546-R548 VanDerWaalsContact C-N 3.34Å; E546-R548 PolarHBondContact O-N 2.67Å; E546-K549 PolarHBondContact O-N 3.39Å; E546-Y550 WeakPolarHBondContact O-CB 3.5Å; E546-Y550 PolarHBondContact O-N 3.23Å
547	R	89.2	Confident	85.2	Confident	13 Å²	13	49.2 Å²	49.2	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-44.1	176.1	-69.9	169.8	59.6	177.6	10.1	112.3	D387 P388 V389 L542 N543 Y550 A551	D387-R547 IonicContact OD1-CZ 3.8Å; D387-R547 IonicContact OD1-NE 3.93Å; D387-R547 IonicContact OD1-NH2 3.92Å; D387-R547 PolarHBondContact OD1-NH2 3.17Å; D387-R547 IonicContact OD2-CZ 3.29Å; D387-R547 IonicContact OD2-NE 3.97Å; D387-R547 PolarHBondContact OD2-NE 2.93Å; D387-R547 IonicContact OD2-NH2 2.65Å; D387-R547 PolarHBondContact OD2-NH2 3.35Å; P388-R547 HydrophobicContact CG-CB 4.14Å; P388-R547 HydrophobicContact CG-CG 3.93Å; V389-R547 HydrophobicContact CG2-CG 4.38Å; L542-R547 HydrophobicContact CB-CG 3.72Å; L542-R547 WeakPolarHBondContact O-CD 3.28Å; N543-R547 WeakPolarHBondContact O-CG 3.46Å; N543-R547 PolarHBondContact O-N 3.27Å; R547-Y550 WeakPolarHBondContact O-CB 3.47Å; R547-Y550 PolarHBondContact O-N 2.89Å; R547-A551 PolarHBondContact O-N 3.1Å
548	R	88	Confident	87.2	Confident	54 Å²	54	47.4 Å²	47.4	20%	0.204	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-42.4	177.4	-166.3	176	-170.2	89.9	-1.4	111.8	E305 T307 W544 Y545 E546 A551 A552	E305-R548 IonicContact OE1-CZ 2.8Å; E305-R548 IonicContact OE1-NE 3.35Å; E305-R548 IonicContact OE1-NH2 2.69Å; E305-R548 PolarHBondContact OE1-NH2 3.13Å; E305-R548 IonicContact OE2-CZ 3.81Å; E305-R548 IonicContact OE2-NE 2.7Å; E305-R548 PolarHBondContact OE2-NE 2.71Å; E305-R548 IonicContact OE2-NH2 3.81Å; E305-R548 PolarHBondContact OE2-NH2 2.85Å; E305-R548 VanDerWaalsContact OE2-NH2 3.1Å; T307-R548 PolarHBondContact O-NH2 3.28Å; T307-R548 VanDerWaalsContact O-NH2 3.09Å; W544-R548 VanDerWaalsContact CZ2-NH1 3.34Å; W544-R548 PolarHBondContact O-N 2.81Å; Y545-R548 PolarHBondContact O-N 3.42Å; E546-R548 VanDerWaalsContact C-N 3.34Å; E546-R548 PolarHBondContact O-N 2.67Å; R548-A551 PolarHBondContact O-N 3.31Å; R548-A552 PolarHBondContact O-N 2.96Å; R548-A552 VanDerWaalsContact O-N 3.11Å
549	K	87.7	Confident	88.6	Confident	74 Å²	74	42.8 Å²	42.8	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-40.4	174.6	-175	170.3	176.3	173.2	0	112.1	E62 Y545 E546 K553	E62-K549 WeakPolarHBondContact OE1-CE 3.36Å; E62-K549 IonicContact OE1-NZ 2.9Å; E62-K549 PolarHBondContact OE1-NZ 3.12Å; E62-K549 IonicContact OE2-NZ 2.76Å; E62-K549 PolarHBondContact OE2-NZ 3.34Å; Y545-K549 HydrophobicContact CE1-CD 4.44Å; Y545-K549 WeakPolarHBondContact O-CB 3.43Å; Y545-K549 PolarHBondContact O-N 2.96Å; E546-K549 PolarHBondContact O-N 3.39Å; K549-K553 WeakPolarHBondContact O-CG 3.18Å; K549-K553 PolarHBondContact O-N 3.08Å
550	Y	92	Very high	89.7	Confident	52 Å²	52	41.9 Å²	41.9	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-50.8	173.2	-174.8	-78.5	0	0	0	111.2	P388 L393 E546 R547 A552 K553 E554	P388-Y550 HydrophobicContact CB-CD1 3.74Å; P388-Y550 HydrophobicContact CB-CD2 4.46Å; P388-Y550 HydrophobicContact CB-CE1 3.97Å; P388-Y550 HydrophobicContact CB-CG 4.02Å; P388-Y550 HydrophobicContact CG-CD1 3.91Å; P388-Y550 HydrophobicContact CG-CG 3.95Å; L393-Y550 HydrophobicContact CD1-CE1 4.44Å; L393-Y550 WeakPolarHBondContact CD1-OH 3.26Å; E546-Y550 WeakPolarHBondContact O-CB 3.5Å; E546-Y550 PolarHBondContact O-N 3.23Å; R547-Y550 WeakPolarHBondContact O-CB 3.47Å; R547-Y550 PolarHBondContact O-N 2.89Å; Y550-A552 VanDerWaalsContact C-N 3.31Å; Y550-A552 PolarHBondContact O-N 3.45Å; Y550-K553 CarbonylContact O-C 3.59Å; Y550-K553 PolarHBondContact O-N 2.78Å; Y550-E554 HydrophobicContact CD1-CB 4.45Å; Y550-E554 HydrophobicContact CE1-CB 4.18Å; Y550-E554 PolarHBondContact O-N 3.27Å
551	A	92.8	Very high	90.2	Very high	11 Å²	11	43.9 Å²	43.9	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-42.4	-179.5	0	0	0	0	0	112.2	F386 R547 R548 E554 L555	F386-A551 HydrophobicContact CB-CB 3.92Å; F386-A551 WeakPolarHBondContact O-CA 3.07Å; R547-A551 PolarHBondContact O-N 3.1Å; R548-A551 PolarHBondContact O-N 3.31Å; A551-E554 PolarHBondContact O-N 2.87Å; A551-L555 PolarHBondContact O-N 2.76Å
552	A	92.4	Very high	90.5	Very high	12 Å²	12	42.7 Å²	42.7	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-46	173.4	0	0	0	0	0	112.1	F295 I303 R548 Y550 E554 L555 E556	F295-A552 HydrophobicContact CE1-CB 4.21Å; I303-A552 HydrophobicContact CD1-CB 4.21Å; I303-A552 WeakPolarHBondContact CD1-O 3.12Å; I303-A552 HydrophobicContact CG2-CB 4.09Å; R548-A552 PolarHBondContact O-N 2.96Å; R548-A552 VanDerWaalsContact O-N 3.11Å; Y550-A552 VanDerWaalsContact C-N 3.31Å; Y550-A552 PolarHBondContact O-N 3.45Å; A552-E554 VanDerWaalsContact C-N 3.33Å; A552-E554 PolarHBondContact O-N 2.93Å; A552-L555 WeakPolarHBondContact O-CB 3.35Å; A552-L555 PolarHBondContact O-N 2.83Å; A552-E556 PolarHBondContact O-N 2.96Å
553	K	93	Very high	90.5	Very high	99 Å²	99	43.5 Å²	43.5	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-66.5	-30.9	177.6	-71.1	-53.8	-169.6	-171.8	0	113.7	I303 K549 Y550 E556 R557	I303-K553 HydrophobicContact CG2-CD 4.41Å; K549-K553 WeakPolarHBondContact O-CG 3.18Å; K549-K553 PolarHBondContact O-N 3.08Å; Y550-K553 CarbonylContact O-C 3.59Å; Y550-K553 PolarHBondContact O-N 2.78Å; K553-E556 WeakPolarHBondContact CD-OE2 3.2Å; K553-E556 WeakPolarHBondContact CE-OE2 3.21Å; K553-E556 IonicContact NZ-OE1 2.65Å; K553-E556 PolarHBondContact NZ-OE1 3.3Å; K553-E556 IonicContact NZ-OE2 3.82Å; K553-E556 PolarHBondContact NZ-OE2 3.45Å; K553-E556 PolarHBondContact O-N 3.35Å; K553-R557 PolarHBondContact O-N 2.57Å
554	E	95.1	Very high	90.7	Very high	33 Å²	33	45.9 Å²	45.9	15%	0.154	21%	0.207	C	C	.	.	H	α-helix	trans	-72.6	-32.1	173.9	-173.9	63.6	-177.4	0	0	112	F386 Y550 A551 A552 R557 V558 H588	F386-E554 HydrophobicContact CD1-CB 4.02Å; F386-E554 HydrophobicContact CD1-CG 3.81Å; F386-E554 HydrophobicContact CE1-CG 4.42Å; Y550-E554 HydrophobicContact CD1-CB 4.45Å; Y550-E554 HydrophobicContact CE1-CB 4.18Å; Y550-E554 PolarHBondContact O-N 3.27Å; A551-E554 PolarHBondContact O-N 2.87Å; A552-E554 VanDerWaalsContact C-N 3.33Å; A552-E554 PolarHBondContact O-N 2.93Å; E554-R557 VanDerWaalsContact CD-NE 3.27Å; E554-R557 PolarHBondContact O-N 3Å; E554-R557 IonicContact OE1-CZ 3.65Å; E554-R557 VanDerWaalsContact OE1-CZ 3.28Å; E554-R557 IonicContact OE1-NE 2.64Å; E554-R557 PolarHBondContact OE1-NE 3.17Å; E554-R557 VanDerWaalsContact OE1-NE 3.13Å; E554-R557 IonicContact OE1-NH2 3.34Å; E554-R557 PolarHBondContact OE1-NH2 3.45Å; E554-R557 WeakPolarHBondContact OE2-CD 3.22Å; E554-R557 IonicContact OE2-CZ 2.66Å; E554-R557 IonicContact OE2-NE 3.6Å; E554-R557 PolarHBondContact OE2-NE 3.47Å; E554-R557 IonicContact OE2-NH2 3.18Å; E554-V558 WeakPolarHBondContact O-CG2 3.08Å; E554-V558 PolarHBondContact O-N 3.27Å; E554-V558 VanDerWaalsContact O-N 3.14Å; E554-H588 IonicContact OE1-CE1 3.74Å; E554-H588 PolarHBondContact OE1-CE1 2.84Å; E554-H588 VanDerWaalsContact OE1-CE1 3.28Å
555	L	95.2	Very high	91	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-46.3	169.9	-161.3	159.8	0	0	0	111	F295 L297 I303 L376 I383 F386 A551 A552 R557 V558 W559 L585	F295-L555 HydrophobicContact CD2-CD1 4.36Å; F295-L555 HydrophobicContact CE2-CD1 4.4Å; L297-L555 HydrophobicContact CD1-CD2 4.21Å; L297-L555 HydrophobicContact CD2-CD2 4.04Å; I303-L555 HydrophobicContact CD1-CB 4Å; I303-L555 HydrophobicContact CD1-CD1 4.43Å; I303-L555 HydrophobicContact CD1-CD2 3.83Å; I303-L555 HydrophobicContact CD1-CG 4.28Å; L376-L555 HydrophobicContact CD1-CD2 3.7Å; I383-L555 HydrophobicContact CD1-CD1 4.13Å; F386-L555 HydrophobicContact CD1-CB 4.15Å; F386-L555 HydrophobicContact CE1-CB 4.17Å; F386-L555 HydrophobicContact CE1-CG 4.45Å; A551-L555 PolarHBondContact O-N 2.76Å; A552-L555 WeakPolarHBondContact O-CB 3.35Å; A552-L555 PolarHBondContact O-N 2.83Å; L555-R557 VanDerWaalsContact C-N 3.3Å; L555-R557 PolarHBondContact O-N 2.71Å; L555-V558 PolarHBondContact O-N 2.79Å; L555-W559 PolarHBondContact O-N 3.09Å; L555-L585 HydrophobicContact CD2-CD1 4.25Å; L555-L585 HydrophobicContact CD2-CD2 4.11Å; L555-L585 HydrophobicContact CG-CD2 3.79Å
556	E	94.3	Very high	91.1	Very high	22 Å²	22	44.1 Å²	44.1	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-37.2	173.9	-172.8	177.8	-116.5	0	0	112.2	G302 I303 A552 K553 W559 H560	G302-E556 WeakPolarHBondContact CA-OE1 3.46Å; I303-E556 HydrophobicContact CB-CB 4.14Å; I303-E556 HydrophobicContact CB-CG 4.45Å; I303-E556 HydrophobicContact CG2-CB 3.81Å; I303-E556 HydrophobicContact CG2-CG 4.27Å; I303-E556 PolarHBondContact N-OE1 2.81Å; A552-E556 PolarHBondContact O-N 2.96Å; K553-E556 WeakPolarHBondContact CD-OE2 3.2Å; K553-E556 WeakPolarHBondContact CE-OE2 3.21Å; K553-E556 IonicContact NZ-OE1 2.65Å; K553-E556 PolarHBondContact NZ-OE1 3.3Å; K553-E556 IonicContact NZ-OE2 3.82Å; K553-E556 PolarHBondContact NZ-OE2 3.45Å; K553-E556 PolarHBondContact O-N 3.35Å; E556-W559 HydrophobicContact CG-CE3 4.32Å; E556-W559 PolarHBondContact O-N 3.22Å; E556-H560 PolarHBondContact O-CD2 3.49Å; E556-H560 VanDerWaalsContact O-CD2 3.29Å; E556-H560 PolarHBondContact O-N 3.46Å
557	R	95.6	Very high	90.6	Very high	84 Å²	84	48.5 Å²	48.5	32%	0.317	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-47.7	173.1	-170.5	-171.3	65.6	69.3	13.9	111.9	K553 E554 L555 W559 H560 E561	K553-R557 PolarHBondContact O-N 2.57Å; E554-R557 VanDerWaalsContact CD-NE 3.27Å; E554-R557 PolarHBondContact O-N 3Å; E554-R557 IonicContact OE1-CZ 3.65Å; E554-R557 VanDerWaalsContact OE1-CZ 3.28Å; E554-R557 IonicContact OE1-NE 2.64Å; E554-R557 PolarHBondContact OE1-NE 3.17Å; E554-R557 VanDerWaalsContact OE1-NE 3.13Å; E554-R557 IonicContact OE1-NH2 3.34Å; E554-R557 PolarHBondContact OE1-NH2 3.45Å; E554-R557 WeakPolarHBondContact OE2-CD 3.22Å; E554-R557 IonicContact OE2-CZ 2.66Å; E554-R557 IonicContact OE2-NE 3.6Å; E554-R557 PolarHBondContact OE2-NE 3.47Å; E554-R557 IonicContact OE2-NH2 3.18Å; L555-R557 VanDerWaalsContact C-N 3.3Å; L555-R557 PolarHBondContact O-N 2.71Å; R557-W559 VanDerWaalsContact C-N 3.29Å; R557-W559 PolarHBondContact O-N 3.5Å; R557-H560 PolarHBondContact O-N 3.02Å; R557-E561 IonicContact CZ-OE1 2.76Å; R557-E561 IonicContact CZ-OE2 2.68Å; R557-E561 IonicContact NH1-OE1 2.59Å; R557-E561 PolarHBondContact NH1-OE1 3.1Å; R557-E561 IonicContact NH1-OE2 2.77Å; R557-E561 PolarHBondContact NH1-OE2 3.15Å; R557-E561 WeakPolarHBondContact O-CG 2.86Å; R557-E561 PolarHBondContact O-N 3.44Å
558	V	96.1	Very high	89.9	Confident	10 Å²	10	54.2 Å²	54.2	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-38.2	177.8	174.8	0	0	0	0	111.3	F386 E554 L555 E561 L562 A584 L585 H588	F386-V558 HydrophobicContact CE1-CG2 4.03Å; E554-V558 WeakPolarHBondContact O-CG2 3.08Å; E554-V558 PolarHBondContact O-N 3.27Å; E554-V558 VanDerWaalsContact O-N 3.14Å; L555-V558 PolarHBondContact O-N 2.79Å; V558-E561 PolarHBondContact O-N 2.87Å; V558-L562 PolarHBondContact O-N 3.1Å; V558-L562 VanDerWaalsContact O-N 3.08Å; V558-A584 HydrophobicContact CG1-CB 4.05Å; V558-L585 HydrophobicContact CB-CD2 3.99Å; V558-L585 HydrophobicContact CG1-CD2 3.78Å; V558-L585 HydrophobicContact CG1-CG 4.39Å; V558-H588 HydrophobicContact CG2-CB 4.36Å; V558-H588 VanDerWaalsContact CG2-ND1 3.28Å; V558-H588 WeakPolarHBondContact CG2-ND1 3.41Å
559	W	94.1	Very high	89.2	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-49.9	174.5	172.3	33.5	0	0	0	112.2	L297 K299 L555 E556 R557 E561 L562 D563 F576 L581	L297-W559 HydrophobicContact CB-CD2 4.31Å; L297-W559 HydrophobicContact CB-CE3 3.9Å; L297-W559 HydrophobicContact CB-CH2 3.92Å; L297-W559 HydrophobicContact CB-CZ2 4.33Å; L297-W559 HydrophobicContact CB-CZ3 3.69Å; L297-W559 HydrophobicContact CD2-CB 4.13Å; L297-W559 HydrophobicContact CD2-CD2 3.72Å; L297-W559 HydrophobicContact CD2-CE3 3.77Å; L297-W559 HydrophobicContact CD2-CG 3.89Å; L297-W559 HydrophobicContact CD2-CZ3 4.44Å; L297-W559 HydrophobicContact CG-CD2 4.27Å; L297-W559 HydrophobicContact CG-CE3 3.82Å; L297-W559 HydrophobicContact CG-CZ3 4.08Å; K299-W559 HydrophobicContact CG-CH2 4.35Å; K299-W559 HydrophobicContact CG-CZ2 4.26Å; L555-W559 PolarHBondContact O-N 3.09Å; E556-W559 HydrophobicContact CG-CE3 4.32Å; E556-W559 PolarHBondContact O-N 3.22Å; R557-W559 VanDerWaalsContact C-N 3.29Å; R557-W559 PolarHBondContact O-N 3.5Å; W559-E561 PolarHBondContact O-N 3.2Å; W559-L562 WeakPolarHBondContact O-CB 3.29Å; W559-L562 PolarHBondContact O-N 3.03Å; W559-D563 PolarHBondContact O-N 3.27Å; W559-F576 AromaticContact CD1-CE1 3.85Å; W559-F576 AromaticContact CD1-CZ 3.52Å; W559-F576 AromaticContact NE1-CE1 3.4Å; W559-F576 AromaticContact NE1-CZ 3.11Å; W559-L581 HydrophobicContact CB-CD1 4.14Å; W559-L581 HydrophobicContact CG-CD1 4.43Å
560	H	92.1	Very high	87.5	Confident	73 Å²	73	55.6 Å²	55.6	34%	0.338	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-35	177.6	-74.9	-53	0	0	0	113.5	E556 R557 L562 D563 I564	E556-H560 PolarHBondContact O-CD2 3.49Å; E556-H560 VanDerWaalsContact O-CD2 3.29Å; E556-H560 PolarHBondContact O-N 3.46Å; R557-H560 PolarHBondContact O-N 3.02Å; H560-L562 VanDerWaalsContact C-N 3.33Å; H560-D563 PolarHBondContact O-N 3.21Å; H560-I564 WeakPolarHBondContact O-CB 3.06Å; H560-I564 WeakPolarHBondContact O-CD1 3.28Å; H560-I564 VanDerWaalsContact O-CG1 3.26Å; H560-I564 WeakPolarHBondContact O-CG1 3.47Å; H560-I564 PolarHBondContact O-N 3.36Å
561	E	92.4	Very high	85.4	Confident	104 Å²	104	61.3 Å²	61.3	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-39.2	173.8	-78.1	-176.3	168.4	0	0	112.2	R557 V558 W559 S565	R557-E561 IonicContact CZ-OE1 2.76Å; R557-E561 IonicContact CZ-OE2 2.68Å; R557-E561 IonicContact NH1-OE1 2.59Å; R557-E561 PolarHBondContact NH1-OE1 3.1Å; R557-E561 IonicContact NH1-OE2 2.77Å; R557-E561 PolarHBondContact NH1-OE2 3.15Å; R557-E561 WeakPolarHBondContact O-CG 2.86Å; R557-E561 PolarHBondContact O-N 3.44Å; V558-E561 PolarHBondContact O-N 2.87Å; W559-E561 PolarHBondContact O-N 3.2Å; E561-S565 VanDerWaalsContact O-CB 3.24Å; E561-S565 WeakPolarHBondContact O-CB 3.45Å; E561-S565 PolarHBondContact O-N 2.75Å; E561-S565 PolarHBondContact O-OG 3.07Å
562	L	91.9	Very high	83.5	Confident	23 Å²	23	69 Å²	69	12%	0.12	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-45.8	174	178.8	63.3	0	0	0	111.4	V558 W559 H560 S565 T566 F576 D580 L581 A584	V558-L562 PolarHBondContact O-N 3.1Å; V558-L562 VanDerWaalsContact O-N 3.08Å; W559-L562 WeakPolarHBondContact O-CB 3.29Å; W559-L562 PolarHBondContact O-N 3.03Å; H560-L562 VanDerWaalsContact C-N 3.33Å; L562-S565 PolarHBondContact O-N 2.76Å; L562-S565 PolarHBondContact O-OG 2.88Å; L562-T566 WeakPolarHBondContact O-CB 3.4Å; L562-T566 PolarHBondContact O-N 3.33Å; L562-T566 PolarHBondContact O-OG1 3.05Å; L562-F576 HydrophobicContact CD1-CB 4.4Å; L562-F576 HydrophobicContact CD2-CB 3.96Å; L562-F576 HydrophobicContact CD2-CD2 3.55Å; L562-F576 HydrophobicContact CD2-CE2 4.31Å; L562-F576 HydrophobicContact CD2-CG 3.77Å; L562-F576 HydrophobicContact CG-CB 3.86Å; L562-F576 HydrophobicContact CG-CD2 4.25Å; L562-F576 HydrophobicContact CG-CG 3.94Å; L562-D580 HydrophobicContact CD1-CB 4.17Å; L562-D580 HydrophobicContact CD2-CB 4.06Å; L562-L581 VanDerWaalsContact CD2-CA 3.46Å; L562-L581 HydrophobicContact CD2-CB 3.94Å; L562-L581 HydrophobicContact CD2-CD1 4.2Å; L562-A584 HydrophobicContact CD2-CB 4.26Å
563	D	87.1	Confident	81.6	Confident	31 Å²	31	76.6 Å²	76.6	17%	0.166	39%	0.393	C	S	.	.	H	α-helix	trans	-58.8	-54.1	179.5	-150.6	25	0	0	0	110.5	W559 H560 S565 T566 E567 F576	W559-D563 PolarHBondContact O-N 3.27Å; H560-D563 PolarHBondContact O-N 3.21Å; D563-S565 VanDerWaalsContact C-N 3.33Å; D563-S565 PolarHBondContact O-N 2.91Å; D563-T566 PolarHBondContact O-N 2.98Å; D563-E567 WeakPolarHBondContact O-CG 3.12Å; D563-E567 PolarHBondContact O-N 3.36Å; D563-F576 HydrophobicContact CB-CD1 4.23Å; D563-F576 HydrophobicContact CB-CE1 4.27Å; D563-F576 WeakPolarHBondContact OD1-CD1 3.21Å; D563-F576 WeakPolarHBondContact OD1-CE1 3.32Å
564	I	87	Confident	80	Confident	94 Å²	94	72.9 Å²	72.9	48%	0.482	38%	0.383	S	S	.	.	H	α-helix	trans	-58.1	-42.3	176	-66.2	165.8	0	0	0	111.5	H560 T566 N568	H560-I564 WeakPolarHBondContact O-CB 3.06Å; H560-I564 WeakPolarHBondContact O-CD1 3.28Å; H560-I564 VanDerWaalsContact O-CG1 3.26Å; H560-I564 WeakPolarHBondContact O-CG1 3.47Å; H560-I564 PolarHBondContact O-N 3.36Å; I564-T566 VanDerWaalsContact C-N 3.26Å; I564-T566 PolarHBondContact O-N 3.08Å; I564-N568 PolarHBondContact O-N 2.91Å; I564-N568 VanDerWaalsContact O-N 3.16Å; I564-N568 PolarHBondContact O-ND2 2.55Å
565	S	86.1	Confident	79.2	Confident	62 Å²	62	73.7 Å²	73.7	43%	0.434	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-33.6	179.2	75.7	0	0	0	0	112.3	E561 L562 D563 A569	E561-S565 VanDerWaalsContact O-CB 3.24Å; E561-S565 WeakPolarHBondContact O-CB 3.45Å; E561-S565 PolarHBondContact O-N 2.75Å; E561-S565 PolarHBondContact O-OG 3.07Å; L562-S565 PolarHBondContact O-N 2.76Å; L562-S565 PolarHBondContact O-OG 2.88Å; D563-S565 VanDerWaalsContact C-N 3.33Å; D563-S565 PolarHBondContact O-N 2.91Å; S565-A569 VanDerWaalsContact O-CB 3.31Å; S565-A569 WeakPolarHBondContact O-CB 3.4Å; S565-A569 PolarHBondContact O-N 2.59Å; S565-A569 VanDerWaalsContact O-N 3.13Å
566	T	83	Confident	78.8	Confident	18 Å²	18	74.3 Å²	74.3	11%	0.11	39%	0.393	C	S	.	.	H	α-helix	trans	-77.3	-41.2	-178.6	-53.3	0	0	0	0	111.4	L562 D563 I564 N568 A569 N570 G574 F576	L562-T566 WeakPolarHBondContact O-CB 3.4Å; L562-T566 PolarHBondContact O-N 3.33Å; L562-T566 PolarHBondContact O-OG1 3.05Å; D563-T566 PolarHBondContact O-N 2.98Å; I564-T566 VanDerWaalsContact C-N 3.26Å; I564-T566 PolarHBondContact O-N 3.08Å; T566-N568 VanDerWaalsContact C-N 3.31Å; T566-N568 PolarHBondContact O-N 2.96Å; T566-A569 PolarHBondContact O-N 2.67Å; T566-N570 WeakPolarHBondContact CG2-ND2 3.49Å; T566-N570 PolarHBondContact O-N 3.11Å; T566-G574 WeakPolarHBondContact CG2-O 3.47Å; T566-F576 HydrophobicContact CG2-CB 4.28Å
567	E	77.3	Confident	78.7	Confident	140 Å²	140	73.9 Å²	73.9	65%	0.654	39%	0.392	S	S	*	.	H	α-helix	trans	-56.4	-44	171.5	-71.5	-173.9	151.7	0	0	111.9	D563	D563-E567 WeakPolarHBondContact O-CG 3.12Å; D563-E567 PolarHBondContact O-N 3.36Å
568	N	75.3	Confident	78.7	Confident	133 Å²	133	70 Å²	70	71%	0.711	38%	0.378	S	S	*	.	H	α-helix	trans	-74.1	-25.7	-179.7	-76.1	-72.5	0	0	0	113.7	I564 T566	I564-N568 PolarHBondContact O-N 2.91Å; I564-N568 VanDerWaalsContact O-N 3.16Å; I564-N568 PolarHBondContact O-ND2 2.55Å; T566-N568 VanDerWaalsContact C-N 3.31Å; T566-N568 PolarHBondContact O-N 2.96Å
569	A	71.7	Confident	78.6	Confident	75 Å²	75	73.8 Å²	73.8	62%	0.62	39%	0.393	S	S	*	.	H	α-helix	trans	-84.3	-29.1	-177	0	0	0	0	0	113.9	S565 T566	S565-A569 VanDerWaalsContact O-CB 3.31Å; S565-A569 WeakPolarHBondContact O-CB 3.4Å; S565-A569 PolarHBondContact O-N 2.59Å; S565-A569 VanDerWaalsContact O-N 3.13Å; T566-A569 PolarHBondContact O-N 2.67Å
570	N	52.1	Low	78.7	Confident	82 Å²	82	76.5 Å²	76.5	44%	0.439	41%	0.408	S	S	.	.			trans	-102	101.5	-163.1	-81.6	-31.8	0	0	0	115	T566 K572 G574	T566-N570 WeakPolarHBondContact CG2-ND2 3.49Å; T566-N570 PolarHBondContact O-N 3.11Å; N570-K572 PolarHBondContact O-N 2.85Å; N570-G574 PolarHBondContact ND2-O 3.37Å
571	N	49.5	Very low	78.9	Confident	172 Å²	172	73 Å²	73	92%	0.92	39%	0.392	S	S	*	.	S	Bend	trans	-64.1	18.3	157.8	-96	-46.5	0	0	0	114
572	K	52.5	Low	79.2	Confident	174 Å²	174	68.1 Å²	68.1	76%	0.757	37%	0.369	S	S	*	.	S	Bend	trans	-156.1	93.3	-176.8	-65.7	-174.2	-177.1	175.4	0	112.2	N570 G574	N570-K572 PolarHBondContact O-N 2.85Å; K572-G574 VanDerWaalsContact C-N 3.29Å; K572-G574 PolarHBondContact O-N 3.3Å
573	N	51.3	Low	79.4	Confident	171 Å²	171	70.4 Å²	70.4	91%	0.914	38%	0.38	S	S	*	.			trans	25.1	43.9	154.1	-59.3	10.5	0	0	0	119.4
574	G	60.2	Low	79.9	Confident	21 Å²	21	70 Å²	70	22%	0.216	38%	0.381	C	S	.	.			trans	-128.6	112.5	-169.9	0	0	0	0	0	112.7	T566 N570 K572	T566-G574 WeakPolarHBondContact CG2-O 3.47Å; N570-G574 PolarHBondContact ND2-O 3.37Å; K572-G574 VanDerWaalsContact C-N 3.29Å; K572-G574 PolarHBondContact O-N 3.3Å
575	T	78.1	Confident	80.5	Confident	50 Å²	50	65.6 Å²	65.6	31%	0.307	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-66	157.3	158.8	60	0	0	0	0	109.8	V671	T575-V671 HydrophobicContact CG2-CG2 4.08Å
576	F	87.2	Confident	81	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.066	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-62	158.4	171.8	72.3	-87.6	0	0	0	110.6	I374 W559 L562 D563 T566 D580 L581	I374-F576 HydrophobicContact CD1-CE2 3.84Å; I374-F576 HydrophobicContact CD1-CZ 3.6Å; W559-F576 AromaticContact CD1-CE1 3.85Å; W559-F576 AromaticContact CD1-CZ 3.52Å; W559-F576 AromaticContact NE1-CE1 3.4Å; W559-F576 AromaticContact NE1-CZ 3.11Å; L562-F576 HydrophobicContact CD1-CB 4.4Å; L562-F576 HydrophobicContact CD2-CB 3.96Å; L562-F576 HydrophobicContact CD2-CD2 3.55Å; L562-F576 HydrophobicContact CD2-CE2 4.31Å; L562-F576 HydrophobicContact CD2-CG 3.77Å; L562-F576 HydrophobicContact CG-CB 3.86Å; L562-F576 HydrophobicContact CG-CD2 4.25Å; L562-F576 HydrophobicContact CG-CG 3.94Å; D563-F576 HydrophobicContact CB-CD1 4.23Å; D563-F576 HydrophobicContact CB-CE1 4.27Å; D563-F576 WeakPolarHBondContact OD1-CD1 3.21Å; D563-F576 WeakPolarHBondContact OD1-CE1 3.32Å; T566-F576 HydrophobicContact CG2-CB 4.28Å; F576-D580 HydrophobicContact CB-CB 4.44Å; F576-L581 HydrophobicContact CD2-CB 4.09Å; F576-L581 HydrophobicContact CE2-CB 3.9Å; F576-L581 HydrophobicContact CE2-CD2 4.06Å; F576-L581 HydrophobicContact CE2-CG 4.44Å
577	S	92.4	Very high	81.7	Confident	13 Å²	13	66.7 Å²	66.7	9%	0.091	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-98.7	159.7	176	73.5	0	0	0	0	112.7	K579 D580 L581	S577-K579 PolarHBondContact O-N 3.14Å; S577-K579 VanDerWaalsContact O-N 3.08Å; S577-K579 PolarHBondContact OG-N 3.29Å; S577-D580 WeakPolarHBondContact CA-OD2 3.07Å; S577-D580 VanDerWaalsContact CB-OD2 3.24Å; S577-D580 WeakPolarHBondContact CB-OD2 3.34Å; S577-D580 PolarHBondContact N-OD2 3.09Å; S577-D580 PolarHBondContact O-N 3.2Å; S577-D580 PolarHBondContact OG-N 2.7Å; S577-D580 PolarHBondContact OG-OD2 3.31Å; S577-L581 PolarHBondContact O-N 3.3Å
578	S	94.9	Very high	82.7	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.014	33%	0.329	C	S	.	.	H	α-helix	trans	-55.7	-26.1	170.7	-52.5	0	0	0	0	112.6	R139 K140 C582	R139-S578 WeakPolarHBondContact O-CB 3.26Å; R139-S578 PolarHBondContact O-N 3.02Å; R139-S578 PolarHBondContact O-OG 2.87Å; R139-S578 VanDerWaalsContact O-OG 3.12Å; K140-S578 PolarHBondContact O-OG 3.1Å; S578-C582 WeakPolarHBondContact O-CB 3.32Å; S578-C582 PolarHBondContact O-N 2.96Å; S578-C582 VanDerWaalsContact O-N 3.1Å; S578-C582 PolarHBondContact O-SG 2.91Å
579	K	95.3	Very high	83.7	Confident	90 Å²	90	54.1 Å²	54.1	39%	0.391	30%	0.295	S	S	.	.	H	α-helix	trans	-68.7	-49.3	172.4	178	-177.7	171.3	-170.2	0	111.4	H142 S577 L581 C582 E583	H142-K579 HydrophobicContact CB-CB 3.99Å; S577-K579 PolarHBondContact O-N 3.14Å; S577-K579 VanDerWaalsContact O-N 3.08Å; S577-K579 PolarHBondContact OG-N 3.29Å; K579-L581 PolarHBondContact O-N 3.34Å; K579-C582 PolarHBondContact O-N 2.99Å; K579-E583 WeakPolarHBondContact CE-OE1 3.47Å; K579-E583 HydrophobicContact CG-CG 4.45Å; K579-E583 IonicContact NZ-OE1 2.68Å; K579-E583 PolarHBondContact O-N 2.99Å
580	D	95.8	Very high	85	Confident	64 Å²	64	53.3 Å²	53.3	34%	0.342	28%	0.276	S	S	.	.	H	α-helix	trans	-61.1	-36.8	-179.8	-50.4	-50.4	0	0	0	110.8	L562 F576 S577 E583 A584	L562-D580 HydrophobicContact CD1-CB 4.17Å; L562-D580 HydrophobicContact CD2-CB 4.06Å; F576-D580 HydrophobicContact CB-CB 4.44Å; S577-D580 WeakPolarHBondContact CA-OD2 3.07Å; S577-D580 VanDerWaalsContact CB-OD2 3.24Å; S577-D580 WeakPolarHBondContact CB-OD2 3.34Å; S577-D580 PolarHBondContact N-OD2 3.09Å; S577-D580 PolarHBondContact O-N 3.2Å; S577-D580 PolarHBondContact OG-N 2.7Å; S577-D580 PolarHBondContact OG-OD2 3.31Å; D580-E583 PolarHBondContact O-N 3.36Å; D580-A584 VanDerWaalsContact O-CB 3.26Å; D580-A584 WeakPolarHBondContact O-CB 3.48Å; D580-A584 PolarHBondContact O-N 3.09Å
581	L	96.5	Very high	87.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-47.7	174.1	-177.6	60	0	0	0	112.5	L297 I374 L376 W559 L562 F576 S577 K579 E583 A584 L585	L297-L581 HydrophobicContact CD2-CD2 4.25Å; I374-L581 HydrophobicContact CD1-CD2 4.07Å; I374-L581 HydrophobicContact CG2-CD2 4.07Å; L376-L581 HydrophobicContact CD2-CD2 4Å; W559-L581 HydrophobicContact CB-CD1 4.14Å; W559-L581 HydrophobicContact CG-CD1 4.43Å; L562-L581 VanDerWaalsContact CD2-CA 3.46Å; L562-L581 HydrophobicContact CD2-CB 3.94Å; L562-L581 HydrophobicContact CD2-CD1 4.2Å; F576-L581 HydrophobicContact CD2-CB 4.09Å; F576-L581 HydrophobicContact CE2-CB 3.9Å; F576-L581 HydrophobicContact CE2-CD2 4.06Å; F576-L581 HydrophobicContact CE2-CG 4.44Å; S577-L581 PolarHBondContact O-N 3.3Å; K579-L581 PolarHBondContact O-N 3.34Å; L581-E583 VanDerWaalsContact C-N 3.33Å; L581-E583 PolarHBondContact O-N 3.21Å; L581-A584 PolarHBondContact O-N 3.06Å; L581-L585 HydrophobicContact CD1-CD1 3.93Å; L581-L585 HydrophobicContact CD1-CG 4.2Å; L581-L585 HydrophobicContact CG-CD1 4.01Å; L581-L585 VanDerWaalsContact O-CG 3.3Å; L581-L585 WeakPolarHBondContact O-CG 3.14Å; L581-L585 PolarHBondContact O-N 2.82Å
582	C	97.8	Very high	89.3	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-44	174.2	-74.7	0	0	0	0	111.9	I144 S578 K579 I586 I656 A658	I144-C582 HydrophobicContact CG2-CB 3.99Å; S578-C582 WeakPolarHBondContact O-CB 3.32Å; S578-C582 PolarHBondContact O-N 2.96Å; S578-C582 VanDerWaalsContact O-N 3.1Å; S578-C582 PolarHBondContact O-SG 2.91Å; K579-C582 PolarHBondContact O-N 2.99Å; C582-I586 WeakPolarHBondContact O-CB 3.49Å; C582-I586 VanDerWaalsContact O-CG1 3.28Å; C582-I586 WeakPolarHBondContact O-CG1 3.4Å; C582-I586 PolarHBondContact O-N 2.73Å; C582-I656 HydrophobicContact CB-CG2 3.88Å; C582-A658 VanDerWaalsContact SG-CB 3.55Å
583	E	97.2	Very high	91.4	Very high	72 Å²	72	40.7 Å²	40.7	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-66.8	-41	177.9	-71.8	-175.2	178.8	0	0	111.8	K579 D580 L581 L585 I586 N587	K579-E583 WeakPolarHBondContact CE-OE1 3.47Å; K579-E583 HydrophobicContact CG-CG 4.45Å; K579-E583 IonicContact NZ-OE1 2.68Å; K579-E583 PolarHBondContact O-N 2.99Å; D580-E583 PolarHBondContact O-N 3.36Å; L581-E583 VanDerWaalsContact C-N 3.33Å; L581-E583 PolarHBondContact O-N 3.21Å; E583-L585 PolarHBondContact O-N 3.03Å; E583-I586 PolarHBondContact O-N 3.34Å; E583-N587 WeakPolarHBondContact O-CB 3.45Å; E583-N587 PolarHBondContact O-N 3.24Å; E583-N587 PolarHBondContact O-ND2 2.99Å
584	A	97.4	Very high	93.5	Very high	23 Å²	23	34.9 Å²	34.9	19%	0.19	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-43.6	175.9	0	0	0	0	0	112.6	V558 L562 D580 L581 N587 H588	V558-A584 HydrophobicContact CG1-CB 4.05Å; L562-A584 HydrophobicContact CD2-CB 4.26Å; D580-A584 VanDerWaalsContact O-CB 3.26Å; D580-A584 WeakPolarHBondContact O-CB 3.48Å; D580-A584 PolarHBondContact O-N 3.09Å; L581-A584 PolarHBondContact O-N 3.06Å; A584-N587 PolarHBondContact O-N 3.24Å; A584-H588 PolarHBondContact O-N 3.37Å
585	L	98.1	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.9	-42.2	178.9	-67.2	170.5	0	0	0	111.9	L376 L382 F386 L555 V558 L581 E583 N587 H588 A589 I656	L376-L585 HydrophobicContact CD1-CD1 3.92Å; L382-L585 WeakPolarHBondContact CD1-O 3.35Å; L382-L585 HydrophobicContact CD2-CB 4.41Å; F386-L585 HydrophobicContact CE1-CD2 4.08Å; F386-L585 HydrophobicContact CE2-CD2 4.48Å; F386-L585 HydrophobicContact CZ-CD2 3.57Å; L555-L585 HydrophobicContact CD2-CD1 4.25Å; L555-L585 HydrophobicContact CD2-CD2 4.11Å; L555-L585 HydrophobicContact CG-CD2 3.79Å; V558-L585 HydrophobicContact CB-CD2 3.99Å; V558-L585 HydrophobicContact CG1-CD2 3.78Å; V558-L585 HydrophobicContact CG1-CG 4.39Å; L581-L585 HydrophobicContact CD1-CD1 3.93Å; L581-L585 HydrophobicContact CD1-CG 4.2Å; L581-L585 HydrophobicContact CG-CD1 4.01Å; L581-L585 VanDerWaalsContact O-CG 3.3Å; L581-L585 WeakPolarHBondContact O-CG 3.14Å; L581-L585 PolarHBondContact O-N 2.82Å; E583-L585 PolarHBondContact O-N 3.03Å; L585-N587 PolarHBondContact O-N 3.06Å; L585-H588 WeakPolarHBondContact O-CB 3.47Å; L585-H588 PolarHBondContact O-N 2.78Å; L585-A589 PolarHBondContact O-N 3.13Å; L585-I656 HydrophobicContact CB-CD1 4.18Å; L585-I656 HydrophobicContact CD1-CD1 3.36Å; L585-I656 HydrophobicContact CG-CD1 4.4Å
586	I	97.9	Very high	95.9	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-40.7	172.4	-69.4	-66.2	0	0	0	111.6	I144 V146 L382 C582 E583 H588 A589 Y590 A654 I656	I144-I586 HydrophobicContact CG2-CD1 4.48Å; I144-I586 HydrophobicContact CG2-CG1 3.85Å; V146-I586 HydrophobicContact CG1-CG2 4.22Å; V146-I586 HydrophobicContact CG2-CD1 4.01Å; V146-I586 HydrophobicContact CG2-CG2 3.88Å; L382-I586 HydrophobicContact CD1-CD1 4.29Å; C582-I586 WeakPolarHBondContact O-CB 3.49Å; C582-I586 VanDerWaalsContact O-CG1 3.28Å; C582-I586 WeakPolarHBondContact O-CG1 3.4Å; C582-I586 PolarHBondContact O-N 2.73Å; E583-I586 PolarHBondContact O-N 3.34Å; I586-H588 VanDerWaalsContact C-N 3.28Å; I586-H588 PolarHBondContact O-N 3.34Å; I586-A589 PolarHBondContact O-N 3.02Å; I586-Y590 HydrophobicContact CG2-CD2 3.72Å; I586-Y590 HydrophobicContact CG2-CE2 3.63Å; I586-Y590 PolarHBondContact O-N 3.27Å; I586-A654 HydrophobicContact CD1-CB 4.05Å; I586-I656 HydrophobicContact CD1-CG2 4.1Å; I586-I656 HydrophobicContact CG1-CG2 3.91Å
587	N	97.6	Very high	96.2	Very high	98 Å²	98	42.2 Å²	42.2	52%	0.524	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-32.2	176.1	-75.1	-32.7	0	0	0	112.2	E583 A584 L585 R591	E583-N587 WeakPolarHBondContact O-CB 3.45Å; E583-N587 PolarHBondContact O-N 3.24Å; E583-N587 PolarHBondContact O-ND2 2.99Å; A584-N587 PolarHBondContact O-N 3.24Å; L585-N587 PolarHBondContact O-N 3.06Å; N587-R591 WeakPolarHBondContact O-CB 3.47Å; N587-R591 PolarHBondContact O-N 2.84Å
588	H	97.5	Very high	96.3	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-55.2	170.2	-173.1	115.9	0	0	0	110.9	F386 E554 V558 A584 L585 I586 Y590 R591 I592	F386-H588 HydrophobicContact CE1-CB 4.48Å; F386-H588 AromaticContact CE1-CG 3.94Å; F386-H588 AromaticContact CE1-ND1 3.96Å; F386-H588 HydrophobicContact CZ-CB 3.93Å; F386-H588 AromaticContact CZ-CD2 3.98Å; F386-H588 AromaticContact CZ-CG 3.81Å; E554-H588 IonicContact OE1-CE1 3.74Å; E554-H588 PolarHBondContact OE1-CE1 2.84Å; E554-H588 VanDerWaalsContact OE1-CE1 3.28Å; V558-H588 HydrophobicContact CG2-CB 4.36Å; V558-H588 VanDerWaalsContact CG2-ND1 3.28Å; V558-H588 WeakPolarHBondContact CG2-ND1 3.41Å; A584-H588 PolarHBondContact O-N 3.37Å; L585-H588 WeakPolarHBondContact O-CB 3.47Å; L585-H588 PolarHBondContact O-N 2.78Å; I586-H588 VanDerWaalsContact C-N 3.28Å; I586-H588 PolarHBondContact O-N 3.34Å; H588-Y590 VanDerWaalsContact C-N 3.29Å; H588-Y590 PolarHBondContact O-N 3.39Å; H588-R591 PolarHBondContact CE1-NH2 3.49Å; H588-R591 PolarHBondContact ND1-NH2 3.47Å; H588-R591 PolarHBondContact NE2-NH2 2.84Å; H588-R591 WeakPolarHBondContact O-CB 3.37Å; H588-R591 PolarHBondContact O-N 2.85Å; H588-I592 WeakPolarHBondContact O-CG1 3.46Å; H588-I592 PolarHBondContact O-N 3.43Å
589	A	97.6	Very high	96.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-38.1	179.8	0	0	0	0	0	112.4	L148 L382 N385 L585 I586 I592 T593	L148-A589 HydrophobicContact CD1-CB 3.96Å; L148-A589 HydrophobicContact CD2-CB 4.39Å; L382-A589 HydrophobicContact CD1-CB 3.83Å; N385-A589 HydrophobicContact CB-CB 3.8Å; L585-A589 PolarHBondContact O-N 3.13Å; I586-A589 PolarHBondContact O-N 3.02Å; A589-I592 PolarHBondContact O-N 3.48Å; A589-T593 WeakPolarHBondContact O-CB 3.42Å; A589-T593 WeakPolarHBondContact O-CG2 3.45Å; A589-T593 PolarHBondContact O-N 3.07Å; A589-T593 PolarHBondContact O-OG1 3.23Å
590	Y	97.2	Very high	95.9	Very high	58 Å²	58	45.6 Å²	45.6	23%	0.227	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-46.4	171.6	-85.2	-44.5	0	0	0	112.6	V146 S147 L148 I586 H588 I592 T593 T594 R597	V146-Y590 WeakPolarHBondContact CB-OH 3.41Å; V146-Y590 HydrophobicContact CG2-CE2 4.18Å; S147-Y590 WeakPolarHBondContact O-CE1 3.43Å; S147-Y590 PolarHBondContact O-OH 3.12Å; L148-Y590 HydrophobicContact CD2-CD1 3.44Å; L148-Y590 VanDerWaalsContact CD2-CD1 3.44Å; L148-Y590 HydrophobicContact CD2-CE1 3.44Å; L148-Y590 VanDerWaalsContact CD2-CE1 3.44Å; L148-Y590 HydrophobicContact CD2-CG 4.05Å; I586-Y590 HydrophobicContact CG2-CD2 3.72Å; I586-Y590 HydrophobicContact CG2-CE2 3.63Å; I586-Y590 PolarHBondContact O-N 3.27Å; H588-Y590 VanDerWaalsContact C-N 3.29Å; H588-Y590 PolarHBondContact O-N 3.39Å; Y590-I592 VanDerWaalsContact C-N 3.34Å; Y590-I592 PolarHBondContact O-N 3.05Å; Y590-T593 WeakPolarHBondContact CA-OG1 3.43Å; Y590-T593 PolarHBondContact O-N 3.34Å; Y590-T593 PolarHBondContact O-OG1 3.07Å; Y590-T593 VanDerWaalsContact O-OG1 3.07Å; Y590-T594 PolarHBondContact O-N 3.24Å; Y590-T594 PolarHBondContact O-OG1 3.38Å; Y590-R597 VanDerWaalsContact CD1-CZ 3.45Å; Y590-R597 PolarHBondContact O-NH2 3.29Å
591	R	96.9	Very high	95.7	Very high	142 Å²	142	45.6 Å²	45.6	54%	0.536	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-41.3	179.4	179.4	-172.2	62.5	86	6.7	112.3	N587 H588	N587-R591 WeakPolarHBondContact O-CB 3.47Å; N587-R591 PolarHBondContact O-N 2.84Å; H588-R591 PolarHBondContact CE1-NH2 3.49Å; H588-R591 PolarHBondContact ND1-NH2 3.47Å; H588-R591 PolarHBondContact NE2-NH2 2.84Å; H588-R591 WeakPolarHBondContact O-CB 3.37Å; H588-R591 PolarHBondContact O-N 2.85Å
592	I	96.4	Very high	95.4	Very high	22 Å²	22	47.6 Å²	47.6	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-47.9	175.8	-62.9	-58.3	0	0	0	110.3	T391 H588 A589 Y590 T594 P648 G649	T391-I592 HydrophobicContact CG2-CD1 4.07Å; T391-I592 HydrophobicContact CG2-CG1 4.23Å; T391-I592 HydrophobicContact CG2-CG2 3.96Å; H588-I592 WeakPolarHBondContact O-CG1 3.46Å; H588-I592 PolarHBondContact O-N 3.43Å; A589-I592 PolarHBondContact O-N 3.48Å; Y590-I592 VanDerWaalsContact C-N 3.34Å; Y590-I592 PolarHBondContact O-N 3.05Å; I592-T594 PolarHBondContact O-N 2.95Å; I592-P648 HydrophobicContact CG2-CB 4.14Å; I592-G649 VanDerWaalsContact CG2-CA 3.49Å
593	T	96.5	Very high	95	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-78.6	-9	-175.3	55.1	0	0	0	0	115.4	L148 N385 A589 Y590 K595 R596 R597 K650 L651	L148-T593 HydrophobicContact CD1-CG2 4.37Å; N385-T593 WeakPolarHBondContact OD1-CG2 3.42Å; A589-T593 WeakPolarHBondContact O-CB 3.42Å; A589-T593 WeakPolarHBondContact O-CG2 3.45Å; A589-T593 PolarHBondContact O-N 3.07Å; A589-T593 PolarHBondContact O-OG1 3.23Å; Y590-T593 WeakPolarHBondContact CA-OG1 3.43Å; Y590-T593 PolarHBondContact O-N 3.34Å; Y590-T593 PolarHBondContact O-OG1 3.07Å; Y590-T593 VanDerWaalsContact O-OG1 3.07Å; T593-K595 PolarHBondContact O-N 2.74Å; T593-R596 PolarHBondContact O-N 2.93Å; T593-R597 PolarHBondContact O-N 3.41Å; T593-R597 PolarHBondContact OG1-NE 3.26Å; T593-K650 VanDerWaalsContact CG2-O 3.27Å; T593-K650 WeakPolarHBondContact CG2-O 3.47Å; T593-L651 HydrophobicContact CG2-CD2 3.78Å
594	T	95.7	Very high	94.5	Very high	48 Å²	48	53.2 Å²	53.2	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-51.1	-55.2	-174.6	-68.6	0	0	0	0	112.9	Y590 I592 R596 R597 E598	Y590-T594 PolarHBondContact O-N 3.24Å; Y590-T594 PolarHBondContact O-OG1 3.38Å; I592-T594 PolarHBondContact O-N 2.95Å; T594-R596 VanDerWaalsContact C-N 3.26Å; T594-R596 PolarHBondContact O-N 2.8Å; T594-R597 PolarHBondContact O-N 2.94Å; T594-R597 VanDerWaalsContact O-N 3.14Å; T594-R597 PolarHBondContact OG1-NH2 3.33Å; T594-E598 HydrophobicContact CG2-CG 4.2Å; T594-E598 VanDerWaalsContact CG2-OE1 3.29Å; T594-E598 WeakPolarHBondContact CG2-OE1 3.4Å; T594-E598 WeakPolarHBondContact O-CG 3.35Å; T594-E598 PolarHBondContact O-N 3Å
595	K	93.6	Very high	93.9	Very high	141 Å²	141	54.4 Å²	54.4	61%	0.613	26%	0.255	S	S	*	.	H	α-helix	trans	-59.4	-37.4	-177.4	-67.6	-176.7	178.8	179.5	0	112.6	T593 W599	T593-K595 PolarHBondContact O-N 2.74Å; K595-W599 WeakPolarHBondContact O-CB 3.36Å; K595-W599 PolarHBondContact O-N 2.71Å
596	R	94.7	Very high	93	Very high	55 Å²	55	57 Å²	57	21%	0.208	27%	0.272	C	S	.	.	H	α-helix	trans	-69.6	-38.1	-179.4	-154.4	172.5	-148.5	-174.5	7.4	111.5	T593 T594 L600 L644 M647 G649 L651	T593-R596 PolarHBondContact O-N 2.93Å; T594-R596 VanDerWaalsContact C-N 3.26Å; T594-R596 PolarHBondContact O-N 2.8Å; R596-L600 VanDerWaalsContact O-CG 3.32Å; R596-L600 WeakPolarHBondContact O-CG 3.21Å; R596-L600 PolarHBondContact O-N 2.79Å; R596-L644 HydrophobicContact CG-CD2 3.96Å; R596-L644 VanDerWaalsContact CZ-O 3.27Å; R596-L644 PolarHBondContact NE-O 3.37Å; R596-L644 PolarHBondContact NH2-O 2.81Å; R596-M647 HydrophobicContact CB-CB 4.14Å; R596-M647 HydrophobicContact CB-SD 4.46Å; R596-M647 HydrophobicContact CG-CB 3.98Å; R596-M647 PolarHBondContact NE-O 3.25Å; R596-G649 VanDerWaalsContact CD-O 3.3Å; R596-G649 WeakPolarHBondContact CD-O 3.26Å; R596-G649 PolarHBondContact NH1-O 2.93Å; R596-L651 HydrophobicContact CB-CD2 4.39Å; R596-L651 HydrophobicContact CG-CD1 4.25Å; R596-L651 HydrophobicContact CG-CG 4.49Å
597	R	94.2	Very high	92.2	Very high	45 Å²	45	61.4 Å²	61.4	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-49.2	171.4	-70.7	-179.6	-77.1	161.6	3	112.1	L148 E150 Y590 T593 T594 W599 L600 E601 L651	L148-R597 VanDerWaalsContact O-CD 3.26Å; L148-R597 WeakPolarHBondContact O-CD 3.01Å; E150-R597 HydrophobicContact CB-CB 4.13Å; E150-R597 HydrophobicContact CB-CG 4.06Å; Y590-R597 VanDerWaalsContact CD1-CZ 3.45Å; Y590-R597 PolarHBondContact O-NH2 3.29Å; T593-R597 PolarHBondContact O-N 3.41Å; T593-R597 PolarHBondContact OG1-NE 3.26Å; T594-R597 PolarHBondContact O-N 2.94Å; T594-R597 VanDerWaalsContact O-N 3.14Å; T594-R597 PolarHBondContact OG1-NH2 3.33Å; R597-W599 PolarHBondContact O-N 2.84Å; R597-L600 CarbonylContact O-C 3.59Å; R597-L600 PolarHBondContact O-N 2.84Å; R597-E601 WeakPolarHBondContact O-CB 3.33Å; R597-E601 WeakPolarHBondContact O-CG 3.3Å; R597-E601 PolarHBondContact O-N 2.92Å; R597-L651 HydrophobicContact CG-CD2 3.79Å
598	E	93.3	Very high	91.4	Very high	120 Å²	120	57.4 Å²	57.4	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-54.8	-39.5	177.3	-71.4	170.1	162.4	0	0	111.9	T594 E601 N602	T594-E598 HydrophobicContact CG2-CG 4.2Å; T594-E598 VanDerWaalsContact CG2-OE1 3.29Å; T594-E598 WeakPolarHBondContact CG2-OE1 3.4Å; T594-E598 WeakPolarHBondContact O-CG 3.35Å; T594-E598 PolarHBondContact O-N 3Å; E598-E601 PolarHBondContact O-N 2.72Å; E598-N602 PolarHBondContact O-N 3.03Å; E598-N602 VanDerWaalsContact O-N 3.09Å
599	W	92	Very high	90.3	Very high	39 Å²	39	61.3 Å²	61.3	15%	0.148	29%	0.285	C	S	.	.	H	α-helix	trans	-66	-38.8	175.3	-169.3	-97	0	0	0	113.5	K595 R597 Y605 W639 F640 M643 L644 M647	K595-W599 WeakPolarHBondContact O-CB 3.36Å; K595-W599 PolarHBondContact O-N 2.71Å; R597-W599 PolarHBondContact O-N 2.84Å; W599-Y605 HydrophobicContact CD2-CD2 4.23Å; W599-Y605 AromaticContact CD2-CE2 3.83Å; W599-Y605 HydrophobicContact CD2-CE2 3.83Å; W599-Y605 AromaticContact CE2-CE2 3.76Å; W599-Y605 AromaticContact CE3-CE2 3.76Å; W599-Y605 HydrophobicContact CE3-CE2 3.76Å; W599-Y605 AromaticContact CH2-CE2 3.62Å; W599-Y605 HydrophobicContact CH2-CE2 3.62Å; W599-Y605 AromaticContact CH2-CZ 3.68Å; W599-Y605 WeakPolarHBondContact CH2-OH 3.39Å; W599-Y605 HydrophobicContact CZ2-CD2 4.27Å; W599-Y605 AromaticContact CZ2-CE2 3.67Å; W599-Y605 HydrophobicContact CZ2-CE2 3.67Å; W599-Y605 AromaticContact CZ2-CZ 3.95Å; W599-Y605 AromaticContact CZ3-CE2 3.67Å; W599-Y605 HydrophobicContact CZ3-CE2 3.67Å; W599-W639 AromaticContact CH2-CH2 3.58Å; W599-W639 HydrophobicContact CH2-CH2 3.58Å; W599-W639 AromaticContact CH2-CZ2 4Å; W599-W639 HydrophobicContact CH2-CZ2 4Å; W599-W639 HydrophobicContact CH2-CZ3 4.33Å; W599-W639 AromaticContact CZ2-CH2 3.72Å; W599-W639 HydrophobicContact CZ2-CH2 3.72Å; W599-W639 HydrophobicContact CZ2-CZ2 4.25Å; W599-W639 HydrophobicContact CZ2-CZ3 4.02Å; W599-F640 AromaticContact CD1-CE2 3.51Å; W599-F640 AromaticContact CE2-CD2 3.95Å; W599-F640 HydrophobicContact CZ2-CD2 4.26Å; W599-F640 AromaticContact NE1-CD2 3.22Å; W599-F640 AromaticContact NE1-CE2 3.17Å; W599-M643 HydrophobicContact CD2-CG 4.47Å; W599-M643 HydrophobicContact CH2-CG 3.95Å; W599-M643 HydrophobicContact CZ2-CB 3.97Å; W599-M643 HydrophobicContact CZ2-CG 3.64Å; W599-M643 HydrophobicContact CZ3-CG 4.48Å; W599-L644 HydrophobicContact CG-CD2 4.38Å; W599-M647 HydrophobicContact CB-CE 3.78Å; W599-M647 HydrophobicContact CB-SD 3.67Å; W599-M647 HydrophobicContact CD2-CE 3.57Å; W599-M647 HydrophobicContact CD2-SD 4.43Å; W599-M647 HydrophobicContact CE3-CE 3.55Å; W599-M647 HydrophobicContact CG-CE 3.69Å; W599-M647 HydrophobicContact CG-SD 3.92Å; W599-M647 HydrophobicContact CZ3-CE 4.34Å
600	L	91.2	Very high	88.7	Confident	17 Å²	17	66.6 Å²	66.6	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-78.8	-24.5	177.4	-67.7	169.3	0	0	0	113.5	E150 R596 R597 R609 F640 L644 L651	E150-L600 HydrophobicContact CB-CB 4.03Å; E150-L600 HydrophobicContact CB-CD1 4.38Å; E150-L600 HydrophobicContact CG-CB 3.61Å; E150-L600 HydrophobicContact CG-CD1 4.2Å; R596-L600 VanDerWaalsContact O-CG 3.32Å; R596-L600 WeakPolarHBondContact O-CG 3.21Å; R596-L600 PolarHBondContact O-N 2.79Å; R597-L600 CarbonylContact O-C 3.59Å; R597-L600 PolarHBondContact O-N 2.84Å; L600-R609 PolarHBondContact O-NH1 3.36Å; L600-F640 HydrophobicContact CD2-CE1 4.48Å; L600-F640 HydrophobicContact CD2-CZ 4.06Å; L600-L644 HydrophobicContact CD1-CD2 4.42Å; L600-L644 HydrophobicContact CD2-CD1 3.76Å; L600-L644 HydrophobicContact CD2-CD2 3.86Å; L600-L644 HydrophobicContact CD2-CG 4.44Å; L600-L644 HydrophobicContact CG-CD2 3.91Å; L600-L651 HydrophobicContact CD1-CD1 3.32Å
601	E	91.2	Very high	86.7	Confident	64 Å²	64	69.7 Å²	69.7	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-85.6	-9.7	175.9	-73.6	177	-158.1	0	0	113	E150 K151 I153 R597 E598 P603	E150-E601 WeakPolarHBondContact CA-OE1 2.81Å; E150-E601 HydrophobicContact CB-CG 3.92Å; E150-E601 HydrophobicContact CG-CG 4.24Å; K151-E601 HydrophobicContact CB-CG 4.5Å; K151-E601 PolarHBondContact N-OE1 3.34Å; I153-E601 VanDerWaalsContact CD1-O 3.26Å; I153-E601 WeakPolarHBondContact CD1-O 3.47Å; I153-E601 WeakPolarHBondContact CG1-O 3.27Å; R597-E601 WeakPolarHBondContact O-CB 3.33Å; R597-E601 WeakPolarHBondContact O-CG 3.3Å; R597-E601 PolarHBondContact O-N 2.92Å; E598-E601 PolarHBondContact O-N 2.72Å; E601-P603 WeakPolarHBondContact O-CD 3.44Å
602	N	90.2	Very high	84.3	Confident	42 Å²	42	66.3 Å²	66.3	23%	0.225	32%	0.32	C	S	.	.			trans	-65.8	120.4	177.3	-174.8	-14.5	0	0	0	110.8	E598 D604 Y605	E598-N602 PolarHBondContact O-N 3.03Å; E598-N602 VanDerWaalsContact O-N 3.09Å; N602-D604 PolarHBondContact O-N 3.24Å; N602-D604 WeakPolarHBondContact OD1-CB 3.21Å; N602-D604 PolarHBondContact OD1-N 3.49Å; N602-D604 PolarHBondContact OD1-OD2 3.25Å; N602-Y605 HydrophobicContact CB-CD2 3.83Å; N602-Y605 HydrophobicContact CB-CE2 4.15Å; N602-Y605 WeakPolarHBondContact ND2-CE2 3.46Å; N602-Y605 PolarHBondContact O-N 3.11Å
603	P	88	Confident	81.6	Confident	78 Å²	78	69.9 Å²	69.9	51%	0.506	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-57.9	-31.5	178.1	24.1	-35.1	0	0	0	113.6	E601 Y605 T606	E601-P603 WeakPolarHBondContact O-CD 3.44Å; P603-Y605 PolarHBondContact O-N 3.12Å; P603-T606 WeakPolarHBondContact O-CB 3.41Å; P603-T606 VanDerWaalsContact O-CG2 3.26Å; P603-T606 WeakPolarHBondContact O-CG2 3.46Å; P603-T606 PolarHBondContact O-N 3.19Å; P603-T606 PolarHBondContact O-OG1 3.26Å
604	D	86.9	Confident	79	Confident	111 Å²	111	74.4 Å²	74.4	59%	0.594	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-60.6	-32.8	-177.1	-63.3	-23.4	0	0	0	112.1	N602 H607	N602-D604 PolarHBondContact O-N 3.24Å; N602-D604 WeakPolarHBondContact OD1-CB 3.21Å; N602-D604 PolarHBondContact OD1-N 3.49Å; N602-D604 PolarHBondContact OD1-OD2 3.25Å; D604-H607 PolarHBondContact O-CE1 3.11Å; D604-H607 PolarHBondContact O-ND1 3.15Å
605	Y	84.9	Confident	76.5	Confident	48 Å²	48	75.7 Å²	75.7	19%	0.188	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-95.5	2.6	-176.8	-51.1	-42.7	0	0	0	114.2	W599 N602 P603 H607 L608 R609 W639 F640	W599-Y605 HydrophobicContact CD2-CD2 4.23Å; W599-Y605 AromaticContact CD2-CE2 3.83Å; W599-Y605 HydrophobicContact CD2-CE2 3.83Å; W599-Y605 AromaticContact CE2-CE2 3.76Å; W599-Y605 AromaticContact CE3-CE2 3.76Å; W599-Y605 HydrophobicContact CE3-CE2 3.76Å; W599-Y605 AromaticContact CH2-CE2 3.62Å; W599-Y605 HydrophobicContact CH2-CE2 3.62Å; W599-Y605 AromaticContact CH2-CZ 3.68Å; W599-Y605 WeakPolarHBondContact CH2-OH 3.39Å; W599-Y605 HydrophobicContact CZ2-CD2 4.27Å; W599-Y605 AromaticContact CZ2-CE2 3.67Å; W599-Y605 HydrophobicContact CZ2-CE2 3.67Å; W599-Y605 AromaticContact CZ2-CZ 3.95Å; W599-Y605 AromaticContact CZ3-CE2 3.67Å; W599-Y605 HydrophobicContact CZ3-CE2 3.67Å; N602-Y605 HydrophobicContact CB-CD2 3.83Å; N602-Y605 HydrophobicContact CB-CE2 4.15Å; N602-Y605 WeakPolarHBondContact ND2-CE2 3.46Å; N602-Y605 PolarHBondContact O-N 3.11Å; P603-Y605 PolarHBondContact O-N 3.12Å; Y605-H607 PolarHBondContact O-N 2.97Å; Y605-L608 HydrophobicContact CD1-CD1 4.1Å; Y605-L608 WeakPolarHBondContact O-CB 3.43Å; Y605-L608 PolarHBondContact O-N 3.25Å; Y605-R609 PolarHBondContact O-N 2.93Å; Y605-W639 HydrophobicContact CE1-CH2 4.25Å; Y605-W639 HydrophobicContact CE1-CZ3 4.1Å; Y605-F640 VanDerWaalsContact CB-CE2 3.41Å; Y605-F640 HydrophobicContact CD1-CD2 4.48Å; Y605-F640 HydrophobicContact CD2-CD2 4.16Å; Y605-F640 AromaticContact CD2-CE2 3.8Å; Y605-F640 HydrophobicContact CD2-CE2 3.8Å; Y605-F640 AromaticContact CG-CD2 3.92Å; Y605-F640 HydrophobicContact CG-CD2 3.92Å; Y605-F640 AromaticContact CG-CE2 3.76Å; Y605-F640 HydrophobicContact CG-CE2 3.76Å
606	T	80.8	Confident	73.9	Confident	56 Å²	56	75.4 Å²	75.4	34%	0.344	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.5	179.3	49.1	0	0	0	0	113.4	I153 P603 R609	I153-T606 HydrophobicContact CD1-CG2 3.42Å; I153-T606 VanDerWaalsContact CD1-CG2 3.42Å; P603-T606 WeakPolarHBondContact O-CB 3.41Å; P603-T606 VanDerWaalsContact O-CG2 3.26Å; P603-T606 WeakPolarHBondContact O-CG2 3.46Å; P603-T606 PolarHBondContact O-N 3.19Å; P603-T606 PolarHBondContact O-OG1 3.26Å; T606-R609 PolarHBondContact O-N 2.68Å
607	H	80.9	Confident	71.3	Confident	97 Å²	97	79.3 Å²	79.3	45%	0.449	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-30.9	178.9	70.2	-81.4	0	0	0	113.2	D604 Y605 R609 Q610	D604-H607 PolarHBondContact O-CE1 3.11Å; D604-H607 PolarHBondContact O-ND1 3.15Å; Y605-H607 PolarHBondContact O-N 2.97Å; H607-R609 VanDerWaalsContact C-N 3.34Å; H607-Q610 PolarHBondContact O-N 2.99Å
608	L	80.3	Confident	68.8	Low	13 Å²	13	83.8 Å²	83.8	7%	0.068	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.4	177.1	-58.3	179.6	0	0	0	111.8	Y605 Q610 Q636 R637 F640	Y605-L608 HydrophobicContact CD1-CD1 4.1Å; Y605-L608 WeakPolarHBondContact O-CB 3.43Å; Y605-L608 PolarHBondContact O-N 3.25Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 3.22Å; L608-Q636 HydrophobicContact CD1-CB 4.32Å; L608-Q636 HydrophobicContact CD2-CB 3.62Å; L608-R637 HydrophobicContact CB-CG 4.29Å; L608-R637 HydrophobicContact CD2-CG 4.23Å; L608-R637 PolarHBondContact O-NE 3.4Å; L608-F640 HydrophobicContact CB-CG 4.35Å; L608-F640 HydrophobicContact CD1-CB 3.96Å; L608-F640 HydrophobicContact CD1-CD2 4.19Å; L608-F640 HydrophobicContact CD1-CG 4.21Å
609	R	74.6	Confident	66.5	Low	92 Å²	92	83 Å²	83	35%	0.347	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.1	177.4	-64.3	-175.4	59.2	170.4	3.6	114.4	E150 L600 Y605 T606 H607 F640	E150-R609 IonicContact OE1-CZ 3.89Å; E150-R609 IonicContact OE1-NH1 3.83Å; E150-R609 PolarHBondContact OE1-NH1 3.03Å; E150-R609 IonicContact OE1-NH2 2.66Å; E150-R609 PolarHBondContact OE1-NH2 2.87Å; L600-R609 PolarHBondContact O-NH1 3.36Å; Y605-R609 PolarHBondContact O-N 2.93Å; T606-R609 PolarHBondContact O-N 2.68Å; H607-R609 VanDerWaalsContact C-N 3.34Å; R609-F640 HydrophobicContact CG-CE1 3.93Å; R609-F640 HydrophobicContact CG-CZ 3.79Å
610	Q	63.6	Low	64	Low	111 Å²	111	89.2 Å²	89.2	52%	0.519	47%	0.467	S	S	.	.	S	Bend	trans	-81.8	121.3	-177.9	-69.4	-177.6	7	0	0	111	H607 L608 R637	H607-Q610 PolarHBondContact O-N 2.99Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 3.22Å; Q610-R637 PolarHBondContact O-NH2 2.82Å
611	N	54.1	Low	61.7	Low	122 Å²	122	91.4 Å²	91.4	65%	0.652	49%	0.494	S	S	*	.			trans	-60.9	136.1	173.8	-74.5	-16	0	0	0	110.8	T613 V614	N611-T613 PolarHBondContact O-N 2.82Å; N611-V614 PolarHBondContact O-N 3.5Å
612	Q	46.4	Very low	59.3	Low	71 Å²	71	96.1 Å²	96.1	33%	0.332	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.8	-177.8	-111.6	162.8	14.7	0	0	114.1	V614 V615 Q616 D634 R637	Q612-V614 PolarHBondContact O-N 2.91Å; Q612-V615 PolarHBondContact O-N 3.44Å; Q612-Q616 PolarHBondContact O-N 3.2Å; Q612-D634 PolarHBondContact NE2-OD1 2.88Å; Q612-D634 PolarHBondContact NE2-OD2 3.42Å; Q612-R637 VanDerWaalsContact CD-NH1 3.32Å
613	T	41.1	Very low	56.7	Low	98 Å²	98	101.1 Å²	101.1	60%	0.601	55%	0.548	S	S	*	.	H	α-helix	trans	-59.3	-23.7	178.4	46.6	0	0	0	0	114.4	N611	N611-T613 PolarHBondContact O-N 2.82Å
614	V	41.3	Very low	54.4	Low	95 Å²	95	104.6 Å²	104.6	58%	0.576	56%	0.562	S	S	*	*	H	α-helix	trans	-81.7	-25.8	175.1	-177.2	0	0	0	0	112.2	N611 Q612	N611-V614 PolarHBondContact O-N 3.5Å; Q612-V614 PolarHBondContact O-N 2.91Å
615	V	42.7	Very low	52.2	Low	75 Å²	75	109 Å²	109	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-82.1	-33.8	-176.6	-176.1	0	0	0	0	111.7	Q612 N617	Q612-V615 PolarHBondContact O-N 3.44Å; V615-N617 PolarHBondContact O-N 3.15Å
616	Q	39.3	Very low	50.3	Low	135 Å²	135	113 Å²	113	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-68	-35.4	-177.9	-71.6	-179.8	-16.1	0	0	113.2	Q612 N618 N619	Q612-Q616 PolarHBondContact O-N 3.2Å; Q616-N618 VanDerWaalsContact C-N 3.27Å; Q616-N618 PolarHBondContact O-N 3.26Å; Q616-N619 PolarHBondContact O-N 2.96Å
617	N	39.9	Very low	48.6	Very low	137 Å²	137	114.4 Å²	114.4	73%	0.733	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-11.6	-177.5	-77.8	-8.6	0	0	0	115.1	V615	V615-N617 PolarHBondContact O-N 3.15Å
618	N	42.1	Very low	46.9	Very low	138 Å²	138	115.9 Å²	115.9	74%	0.738	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-6.3	178.3	-79.6	-10.7	0	0	0	114.3	Q616	Q616-N618 VanDerWaalsContact C-N 3.27Å; Q616-N618 PolarHBondContact O-N 3.26Å
619	N	44.2	Very low	45.5	Very low	105 Å²	105	120.3 Å²	120.3	56%	0.561	64%	0.643	S	S	*	*			trans	-106.9	21.7	-173.5	-82.3	-7.9	0	0	0	114.6	Q616 G621	Q616-N619 PolarHBondContact O-N 2.96Å; N619-G621 PolarHBondContact O-N 3.43Å
620	N	40.4	Very low	44.5	Very low	169 Å²	169	119.1 Å²	119.1	90%	0.904	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	48.9	177	-112.5	2.6	0	0	0	112.9
621	G	42.1	Very low	43.9	Very low	63 Å²	63	117.9 Å²	117.9	65%	0.649	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.9	-3.2	-170.3	0	0	0	0	0	119.6	N619	N619-G621 PolarHBondContact O-N 3.43Å
622	N	41.2	Very low	44.2	Very low	162 Å²	162	115.1 Å²	115.1	87%	0.866	64%	0.639	S	S	*	*			trans	-148.6	119.4	173.2	-94.4	-44.7	0	0	0	113.3
623	N	36.5	Very low	45.5	Very low	147 Å²	147	113.9 Å²	113.9	79%	0.786	64%	0.637	S	S	*	*			trans	-77.7	156.2	175.1	-65.7	-35.9	0	0	0	111.6
624	N	39.4	Very low	47.2	Very low	152 Å²	152	112.4 Å²	112.4	81%	0.813	63%	0.625	S	S	*	*	S	Bend	trans	72.5	88.9	166.2	-50.6	-24	0	0	0	117.6
625	K	40.7	Very low	49.2	Very low	203 Å²	203	111.3 Å²	111.3	88%	0.883	62%	0.622	S	S	*	*			trans	170.6	12	138.8	-98.1	170.7	-179.1	-179	0	118.2
626	H	44.6	Very low	51.2	Low	131 Å²	131	111.7 Å²	111.7	61%	0.606	62%	0.619	S	S	*	*			trans	-104.8	10.9	-158.1	-100.4	-62	0	0	0	120.3
627	S	45.2	Very low	53.3	Low	87 Å²	87	107.2 Å²	107.2	61%	0.608	60%	0.596	S	S	*	*	H	α-helix	trans	-66.6	-38.3	-178.1	51.9	0	0	0	0	115.1	T630	S627-T630 PolarHBondContact O-OG1 3.15Å
628	D	44.9	Very low	55.6	Low	128 Å²	128	107.3 Å²	107.3	68%	0.684	59%	0.59	S	S	*	*	H	α-helix	trans	-85.4	-24.1	-163.3	-61	2.6	0	0	0	112.9
629	N	50.3	Low	57.8	Low	106 Å²	106	106.4 Å²	106.4	57%	0.567	58%	0.576	S	S	*	*	H	α-helix	trans	-80.5	-18.8	-179	-76	-4.7	0	0	0	113.6	T633	N629-T633 PolarHBondContact O-N 3.24Å; N629-T633 PolarHBondContact O-OG1 3.18Å
630	T	55.4	Low	60	Low	67 Å²	67	101.6 Å²	101.6	41%	0.411	55%	0.55	S	S	.	*	H	α-helix	trans	-72.1	-48.9	179.4	52.4	0	0	0	0	111	S627 S632 T633 D634	S627-T630 PolarHBondContact O-OG1 3.15Å; T630-S632 PolarHBondContact O-N 2.89Å; T630-T633 PolarHBondContact O-N 3.38Å; T630-T633 PolarHBondContact O-OG1 3.27Å; T630-D634 PolarHBondContact O-N 3.38Å
631	C	49.6	Very low	62.2	Low	85 Å²	85	97.4 Å²	97.4	57%	0.574	53%	0.528	S	S	*	.	H	α-helix	trans	-56.8	-36.1	178.3	-173.3	0	0	0	0	113	S635	C631-S635 WeakPolarHBondContact O-CB 3.02Å; C631-S635 PolarHBondContact O-N 2.97Å; C631-S635 VanDerWaalsContact O-N 3.12Å; C631-S635 PolarHBondContact O-OG 3.06Å
632	S	60.1	Low	64.4	Low	63 Å²	63	97.4 Å²	97.4	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-49.4	174.1	-173	0	0	0	0	112.1	T630 D634 S635 Q636	T630-S632 PolarHBondContact O-N 2.89Å; S632-D634 VanDerWaalsContact C-N 3.35Å; S632-D634 PolarHBondContact O-N 3.24Å; S632-S635 PolarHBondContact O-N 3.25Å; S632-Q636 WeakPolarHBondContact O-CG 3.45Å; S632-Q636 PolarHBondContact O-N 3.35Å
633	T	73.5	Confident	66.8	Low	46 Å²	46	92.5 Å²	92.5	28%	0.282	49%	0.486	S	S	.	.	H	α-helix	trans	-67.1	-34.1	-178.8	54.4	0	0	0	0	112.7	N629 T630 Q636 R637	N629-T633 PolarHBondContact O-N 3.24Å; N629-T633 PolarHBondContact O-OG1 3.18Å; T630-T633 PolarHBondContact O-N 3.38Å; T630-T633 PolarHBondContact O-OG1 3.27Å; T633-Q636 PolarHBondContact O-N 3.07Å; T633-R637 WeakPolarHBondContact O-CB 3.42Å; T633-R637 VanDerWaalsContact O-CG 3.31Å; T633-R637 WeakPolarHBondContact O-CG 3.38Å; T633-R637 PolarHBondContact O-N 2.8Å
634	D	78.6	Confident	69.2	Low	66 Å²	66	86.6 Å²	86.6	35%	0.353	45%	0.454	S	S	.	.	H	α-helix	trans	-73.1	-34.6	177.6	-65.2	-34	0	0	0	112.5	Q612 T630 S632 R637 K638	Q612-D634 PolarHBondContact NE2-OD1 2.88Å; Q612-D634 PolarHBondContact NE2-OD2 3.42Å; T630-D634 PolarHBondContact O-N 3.38Å; S632-D634 VanDerWaalsContact C-N 3.35Å; S632-D634 PolarHBondContact O-N 3.24Å; D634-R637 PolarHBondContact O-N 2.92Å; D634-R637 IonicContact OD1-NH1 2.85Å; D634-R637 PolarHBondContact OD1-NH1 3.32Å; D634-K638 WeakPolarHBondContact O-CB 3.32Å; D634-K638 PolarHBondContact O-N 2.99Å
635	S	82.6	Confident	71.5	Confident	73 Å²	73	88.2 Å²	88.2	51%	0.51	45%	0.449	S	S	.	.	H	α-helix	trans	-64.1	-43.5	170.4	-59	0	0	0	0	111.9	C631 S632 K638 W639	C631-S635 WeakPolarHBondContact O-CB 3.02Å; C631-S635 PolarHBondContact O-N 2.97Å; C631-S635 VanDerWaalsContact O-N 3.12Å; C631-S635 PolarHBondContact O-OG 3.06Å; S632-S635 PolarHBondContact O-N 3.25Å; S635-K638 PolarHBondContact O-N 3.48Å; S635-W639 PolarHBondContact O-N 3.06Å
636	Q	83.7	Confident	73.7	Confident	83 Å²	83	86.9 Å²	86.9	39%	0.388	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-40.4	175.5	-70.4	174.3	-41.2	0	0	112.3	L608 S632 T633 W639 F640	L608-Q636 HydrophobicContact CD1-CB 4.32Å; L608-Q636 HydrophobicContact CD2-CB 3.62Å; S632-Q636 WeakPolarHBondContact O-CG 3.45Å; S632-Q636 PolarHBondContact O-N 3.35Å; T633-Q636 PolarHBondContact O-N 3.07Å; Q636-W639 PolarHBondContact O-N 3.33Å; Q636-F640 VanDerWaalsContact O-CB 3.31Å; Q636-F640 WeakPolarHBondContact O-CB 3.37Å; Q636-F640 PolarHBondContact O-N 2.62Å
637	R	85	Confident	76	Confident	40 Å²	40	82 Å²	82	15%	0.151	42%	0.415	C	S	.	.	H	α-helix	trans	-64.5	-41.9	173.7	-78.3	179.4	-179.5	138.6	-5.9	112.7	L608 Q610 Q612 T633 D634 F640 N641	L608-R637 HydrophobicContact CB-CG 4.29Å; L608-R637 HydrophobicContact CD2-CG 4.23Å; L608-R637 PolarHBondContact O-NE 3.4Å; Q610-R637 PolarHBondContact O-NH2 2.82Å; Q612-R637 VanDerWaalsContact CD-NH1 3.32Å; T633-R637 WeakPolarHBondContact O-CB 3.42Å; T633-R637 VanDerWaalsContact O-CG 3.31Å; T633-R637 WeakPolarHBondContact O-CG 3.38Å; T633-R637 PolarHBondContact O-N 2.8Å; D634-R637 PolarHBondContact O-N 2.92Å; D634-R637 IonicContact OD1-NH1 2.85Å; D634-R637 PolarHBondContact OD1-NH1 3.32Å; R637-F640 PolarHBondContact O-N 3.34Å; R637-N641 WeakPolarHBondContact O-CB 3.22Å; R637-N641 VanDerWaalsContact O-CG 3.31Å; R637-N641 PolarHBondContact O-N 2.97Å; R637-N641 PolarHBondContact O-ND2 3.4Å
638	K	86.7	Confident	78.3	Confident	139 Å²	139	79.3 Å²	79.3	60%	0.604	40%	0.396	S	S	*	.	H	α-helix	trans	-59.7	-51.1	175.5	-174.3	179.8	177	-177.5	0	110.1	D634 S635 F640 N641 D642	D634-K638 WeakPolarHBondContact O-CB 3.32Å; D634-K638 PolarHBondContact O-N 2.99Å; S635-K638 PolarHBondContact O-N 3.48Å; K638-F640 VanDerWaalsContact C-N 3.34Å; K638-F640 PolarHBondContact O-N 3.06Å; K638-N641 PolarHBondContact O-N 2.98Å; K638-D642 WeakPolarHBondContact O-CB 3.28Å; K638-D642 VanDerWaalsContact O-CG 3.23Å; K638-D642 PolarHBondContact O-N 3.01Å
639	W	89.5	Confident	80.7	Confident	119 Å²	119	73.2 Å²	73.2	45%	0.451	36%	0.364	S	S	.	.	H	α-helix	trans	-56.2	-43.9	174.8	169.7	81.2	0	0	0	113.1	W599 Y605 S635 Q636 D642 M643	W599-W639 AromaticContact CH2-CH2 3.58Å; W599-W639 HydrophobicContact CH2-CH2 3.58Å; W599-W639 AromaticContact CH2-CZ2 4Å; W599-W639 HydrophobicContact CH2-CZ2 4Å; W599-W639 HydrophobicContact CH2-CZ3 4.33Å; W599-W639 AromaticContact CZ2-CH2 3.72Å; W599-W639 HydrophobicContact CZ2-CH2 3.72Å; W599-W639 HydrophobicContact CZ2-CZ2 4.25Å; W599-W639 HydrophobicContact CZ2-CZ3 4.02Å; Y605-W639 HydrophobicContact CE1-CH2 4.25Å; Y605-W639 HydrophobicContact CE1-CZ3 4.1Å; S635-W639 PolarHBondContact O-N 3.06Å; Q636-W639 PolarHBondContact O-N 3.33Å; W639-D642 PolarHBondContact O-N 2.91Å; W639-M643 HydrophobicContact CZ2-CE 4.37Å; W639-M643 WeakPolarHBondContact O-CB 3.41Å; W639-M643 PolarHBondContact O-N 3Å
640	F	89.3	Confident	82.7	Confident	5 Å²	5	69.6 Å²	69.6	2%	0.022	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-43.3	177.4	175.4	-96.1	0	0	0	112.3	W599 L600 Y605 L608 R609 Q636 R637 K638 L644	W599-F640 AromaticContact CD1-CE2 3.51Å; W599-F640 AromaticContact CE2-CD2 3.95Å; W599-F640 HydrophobicContact CZ2-CD2 4.26Å; W599-F640 AromaticContact NE1-CD2 3.22Å; W599-F640 AromaticContact NE1-CE2 3.17Å; L600-F640 HydrophobicContact CD2-CE1 4.48Å; L600-F640 HydrophobicContact CD2-CZ 4.06Å; Y605-F640 VanDerWaalsContact CB-CE2 3.41Å; Y605-F640 HydrophobicContact CD1-CD2 4.48Å; Y605-F640 HydrophobicContact CD2-CD2 4.16Å; Y605-F640 AromaticContact CD2-CE2 3.8Å; Y605-F640 HydrophobicContact CD2-CE2 3.8Å; Y605-F640 AromaticContact CG-CD2 3.92Å; Y605-F640 HydrophobicContact CG-CD2 3.92Å; Y605-F640 AromaticContact CG-CE2 3.76Å; Y605-F640 HydrophobicContact CG-CE2 3.76Å; L608-F640 HydrophobicContact CB-CG 4.35Å; L608-F640 HydrophobicContact CD1-CB 3.96Å; L608-F640 HydrophobicContact CD1-CD2 4.19Å; L608-F640 HydrophobicContact CD1-CG 4.21Å; R609-F640 HydrophobicContact CG-CE1 3.93Å; R609-F640 HydrophobicContact CG-CZ 3.79Å; Q636-F640 VanDerWaalsContact O-CB 3.31Å; Q636-F640 WeakPolarHBondContact O-CB 3.37Å; Q636-F640 PolarHBondContact O-N 2.62Å; R637-F640 PolarHBondContact O-N 3.34Å; K638-F640 VanDerWaalsContact C-N 3.34Å; K638-F640 PolarHBondContact O-N 3.06Å; F640-L644 HydrophobicContact CD1-CD1 3.9Å; F640-L644 HydrophobicContact CE1-CD1 3.41Å; F640-L644 VanDerWaalsContact CE1-CD1 3.41Å; F640-L644 HydrophobicContact CE1-CG 4.37Å; F640-L644 HydrophobicContact CZ-CD1 3.85Å; F640-L644 WeakPolarHBondContact O-CB 3.41Å; F640-L644 WeakPolarHBondContact O-CG 3.26Å; F640-L644 PolarHBondContact O-N 3.2Å
641	N	87.1	Confident	84.6	Confident	80 Å²	80	67.6 Å²	67.6	43%	0.428	33%	0.33	S	S	.	.	H	α-helix	trans	-70.6	-38.2	177	-72.3	-33.7	0	0	0	112.5	R637 K638 L644 R645	R637-N641 WeakPolarHBondContact O-CB 3.22Å; R637-N641 VanDerWaalsContact O-CG 3.31Å; R637-N641 PolarHBondContact O-N 2.97Å; R637-N641 PolarHBondContact O-ND2 3.4Å; K638-N641 PolarHBondContact O-N 2.98Å; N641-L644 WeakPolarHBondContact O-CB 3.29Å; N641-L644 PolarHBondContact O-N 3.36Å; N641-R645 WeakPolarHBondContact O-CG 3.5Å; N641-R645 PolarHBondContact O-N 2.91Å
642	D	89.2	Confident	86.8	Confident	64 Å²	64	64.7 Å²	64.7	34%	0.342	31%	0.308	S	S	.	.	H	α-helix	trans	-65.9	-39.3	175.5	-70.5	-18.1	0	0	0	111	K638 W639 R645 R646	K638-D642 WeakPolarHBondContact O-CB 3.28Å; K638-D642 VanDerWaalsContact O-CG 3.23Å; K638-D642 PolarHBondContact O-N 3.01Å; W639-D642 PolarHBondContact O-N 2.91Å; D642-R645 PolarHBondContact O-N 3.14Å; D642-R646 WeakPolarHBondContact O-CG 3.4Å; D642-R646 PolarHBondContact O-N 3.18Å
643	M	90.1	Very high	88.5	Confident	59 Å²	59	61.7 Å²	61.7	29%	0.291	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-45.7	172.4	-169.3	63.9	71	0	0	111.2	W599 W639 R645 R646 M647	W599-M643 HydrophobicContact CD2-CG 4.47Å; W599-M643 HydrophobicContact CH2-CG 3.95Å; W599-M643 HydrophobicContact CZ2-CB 3.97Å; W599-M643 HydrophobicContact CZ2-CG 3.64Å; W599-M643 HydrophobicContact CZ3-CG 4.48Å; W639-M643 HydrophobicContact CZ2-CE 4.37Å; W639-M643 WeakPolarHBondContact O-CB 3.41Å; W639-M643 PolarHBondContact O-N 3Å; M643-R645 VanDerWaalsContact C-N 3.29Å; M643-R645 PolarHBondContact O-N 3.48Å; M643-R646 PolarHBondContact O-N 2.91Å; M643-R646 VanDerWaalsContact O-N 3.15Å; M643-M647 HydrophobicContact CG-CE 4.08Å; M643-M647 WeakPolarHBondContact O-CG 3.48Å; M643-M647 PolarHBondContact O-N 2.89Å
644	L	88.7	Confident	89.7	Confident	23 Å²	23	59.5 Å²	59.5	12%	0.12	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-41	174.3	-85.1	172.8	0	0	0	112.5	R596 W599 L600 F640 N641 R646 M647	R596-L644 HydrophobicContact CG-CD2 3.96Å; R596-L644 VanDerWaalsContact CZ-O 3.27Å; R596-L644 PolarHBondContact NE-O 3.37Å; R596-L644 PolarHBondContact NH2-O 2.81Å; W599-L644 HydrophobicContact CG-CD2 4.38Å; L600-L644 HydrophobicContact CD1-CD2 4.42Å; L600-L644 HydrophobicContact CD2-CD1 3.76Å; L600-L644 HydrophobicContact CD2-CD2 3.86Å; L600-L644 HydrophobicContact CD2-CG 4.44Å; L600-L644 HydrophobicContact CG-CD2 3.91Å; F640-L644 HydrophobicContact CD1-CD1 3.9Å; F640-L644 HydrophobicContact CE1-CD1 3.41Å; F640-L644 VanDerWaalsContact CE1-CD1 3.41Å; F640-L644 HydrophobicContact CE1-CG 4.37Å; F640-L644 HydrophobicContact CZ-CD1 3.85Å; F640-L644 WeakPolarHBondContact O-CB 3.41Å; F640-L644 WeakPolarHBondContact O-CG 3.26Å; F640-L644 PolarHBondContact O-N 3.2Å; N641-L644 WeakPolarHBondContact O-CB 3.29Å; N641-L644 PolarHBondContact O-N 3.36Å; L644-R646 VanDerWaalsContact C-N 3.3Å; L644-R646 PolarHBondContact O-N 3.33Å; L644-M647 PolarHBondContact O-N 3.01Å
645	R	86.8	Confident	90.6	Very high	186 Å²	186	56.4 Å²	56.4	70%	0.702	26%	0.257	S	S	*	.	H	α-helix	trans	-62.9	-33.2	177.8	-76.6	173.9	-179.1	-142.1	1.2	113.1	N641 D642 M643	N641-R645 WeakPolarHBondContact O-CG 3.5Å; N641-R645 PolarHBondContact O-N 2.91Å; D642-R645 PolarHBondContact O-N 3.14Å; M643-R645 VanDerWaalsContact C-N 3.29Å; M643-R645 PolarHBondContact O-N 3.48Å
646	R	88	Confident	91.4	Very high	175 Å²	175	53 Å²	53	66%	0.66	23%	0.233	S	C	*	.	H	α-helix	trans	-82	-8.4	177.5	-66.7	171.8	178.8	-170	-1.5	114.2	D642 M643 L644	D642-R646 WeakPolarHBondContact O-CG 3.4Å; D642-R646 PolarHBondContact O-N 3.18Å; M643-R646 PolarHBondContact O-N 2.91Å; M643-R646 VanDerWaalsContact O-N 3.15Å; L644-R646 VanDerWaalsContact C-N 3.3Å; L644-R646 PolarHBondContact O-N 3.33Å
647	M	92.1	Very high	92.1	Very high	27 Å²	27	49 Å²	49	13%	0.133	22%	0.215	C	C	.	.	S	Bend	trans	-85.1	136.8	176	-71.9	-172.7	175.4	0	0	111.1	R596 W599 M643 L644	R596-M647 HydrophobicContact CB-CB 4.14Å; R596-M647 HydrophobicContact CB-SD 4.46Å; R596-M647 HydrophobicContact CG-CB 3.98Å; R596-M647 PolarHBondContact NE-O 3.25Å; W599-M647 HydrophobicContact CB-CE 3.78Å; W599-M647 HydrophobicContact CB-SD 3.67Å; W599-M647 HydrophobicContact CD2-CE 3.57Å; W599-M647 HydrophobicContact CD2-SD 4.43Å; W599-M647 HydrophobicContact CE3-CE 3.55Å; W599-M647 HydrophobicContact CG-CE 3.69Å; W599-M647 HydrophobicContact CG-SD 3.92Å; W599-M647 HydrophobicContact CZ3-CE 4.34Å; M643-M647 HydrophobicContact CG-CE 4.08Å; M643-M647 WeakPolarHBondContact O-CG 3.48Å; M643-M647 PolarHBondContact O-N 2.89Å; L644-M647 PolarHBondContact O-N 3.01Å
648	P	94.1	Very high	92.7	Very high	32 Å²	32	47.1 Å²	47.1	21%	0.208	21%	0.208	C	C	.	.			trans	-71.9	155.9	-177.8	31.9	-37.3	0	0	0	112.7	I390 T391 Q392 I592	I390-P648 WeakPolarHBondContact O-CA 3.5Å; T391-P648 WeakPolarHBondContact O-CB 3.31Å; Q392-P648 HydrophobicContact CB-CB 4.38Å; Q392-P648 HydrophobicContact CG-CB 4.07Å; I592-P648 HydrophobicContact CG2-CB 4.14Å
649	G	93.6	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	92.3	137.9	169.5	0	0	0	0	0	115.2	N385 I390 I592 R596	N385-G649 WeakPolarHBondContact OD1-CA 3.41Å; I390-G649 PolarHBondContact O-N 3.24Å; I592-G649 VanDerWaalsContact CG2-CA 3.49Å; R596-G649 VanDerWaalsContact CD-O 3.3Å; R596-G649 WeakPolarHBondContact CD-O 3.26Å; R596-G649 PolarHBondContact NH1-O 2.93Å
650	K	93.5	Very high	93.5	Very high	29 Å²	29	35.7 Å²	35.7	13%	0.126	16%	0.161	C	C	.	.			trans	-83.3	130	171.4	-176.2	176.7	172.7	174.5	0	109	F341 D380 D384 N385 I390 T593 D652	F341-K650 PolarHBondContact O-NZ 2.91Å; D380-K650 IonicContact OD2-NZ 3.73Å; D380-K650 PolarHBondContact OD2-NZ 2.85Å; D384-K650 HydrophobicContact CB-CB 4.31Å; D384-K650 HydrophobicContact CB-CD 3.91Å; D384-K650 WeakPolarHBondContact OD2-CD 3.44Å; D384-K650 WeakPolarHBondContact OD2-CE 3.49Å; D384-K650 IonicContact OD2-NZ 3.87Å; D384-K650 PolarHBondContact OD2-NZ 2.66Å; N385-K650 PolarHBondContact ND2-O 2.96Å; N385-K650 PolarHBondContact OD1-N 2.81Å; I390-K650 HydrophobicContact CG2-CB 4.08Å; T593-K650 VanDerWaalsContact CG2-O 3.27Å; T593-K650 WeakPolarHBondContact CG2-O 3.47Å; K650-D652 VanDerWaalsContact CE-OD2 3.26Å; K650-D652 WeakPolarHBondContact CE-OD2 3.48Å
651	L	94.9	Very high	93.8	Very high	26 Å²	26	35.5 Å²	35.5	14%	0.136	16%	0.16	C	C	.	.			trans	-91.4	109.4	172.5	-56	-178.7	0	0	0	107.5	L148 Y149 T593 R596 R597 L600	L148-L651 WeakPolarHBondContact O-CD2 3.35Å; Y149-L651 HydrophobicContact CD1-CB 4.28Å; Y149-L651 WeakPolarHBondContact CE1-O 3.3Å; T593-L651 HydrophobicContact CG2-CD2 3.78Å; R596-L651 HydrophobicContact CB-CD2 4.39Å; R596-L651 HydrophobicContact CG-CD1 4.25Å; R596-L651 HydrophobicContact CG-CG 4.49Å; R597-L651 HydrophobicContact CG-CD2 3.79Å; L600-L651 HydrophobicContact CD1-CD1 3.32Å
652	D	95.7	Very high	94	Very high	24 Å²	24	31.7 Å²	31.7	13%	0.128	14%	0.14	C	C	.	.	S	Bend	trans	-146.5	-173.3	173.5	-130.1	-38.1	0	0	0	112.9	L148 Y149 K650	L148-D652 WeakPolarHBondContact CA-O 3.37Å; L148-D652 WeakPolarHBondContact CB-O 3.39Å; L148-D652 PolarHBondContact N-O 2.7Å; Y149-D652 VanDerWaalsContact CE2-C 3.47Å; Y149-D652 VanDerWaalsContact CE2-CA 3.46Å; Y149-D652 WeakPolarHBondContact CE2-OD1 3.29Å; Y149-D652 PolarHBondContact OH-OD1 3.14Å; K650-D652 VanDerWaalsContact CE-OD2 3.26Å; K650-D652 WeakPolarHBondContact CE-OD2 3.48Å
653	H	97	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.5	158.1	-63.4	123.4	0	0	0	110.3	Y149 G160 I163 A164 D165 G381	Y149-H653 AromaticContact CD2-NE2 3.92Å; Y149-H653 AromaticContact CE2-CE1 3.97Å; G160-H653 PolarHBondContact O-CE1 2.88Å; G160-H653 VanDerWaalsContact O-CE1 3.24Å; I163-H653 WeakPolarHBondContact CA-NE2 3.38Å; I163-H653 HydrophobicContact CG2-CB 4.3Å; A164-H653 PolarHBondContact N-ND1 2.78Å; D165-H653 WeakPolarHBondContact OD1-CB 3.28Å; D165-H653 IonicContact OD1-CG 2.93Å; G381-H653 WeakPolarHBondContact CA-O 3.38Å
654	A	97.7	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.2	-175	0	0	0	0	0	110	S145 V146 L148 L382 I586	S145-A654 CarbonylContact C-O 3.59Å; S145-A654 WeakPolarHBondContact CA-O 3.45Å; V146-A654 HydrophobicContact CG2-CB 4.06Å; V146-A654 PolarHBondContact N-O 2.86Å; V146-A654 PolarHBondContact O-N 3.47Å; L148-A654 HydrophobicContact CD1-CB 3.84Å; L148-A654 HydrophobicContact CD2-CB 4.17Å; L148-A654 HydrophobicContact CG-CB 3.77Å; L382-A654 HydrophobicContact CB-CB 4.27Å; I586-A654 HydrophobicContact CD1-CB 4.05Å
655	T	98.2	Very high	93.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.6	-178.8	-67.2	0	0	0	0	110.5	I144 S145 D165 F167 V180 G378 S379	I144-T655 VanDerWaalsContact O-CA 3.29Å; I144-T655 WeakPolarHBondContact O-CA 3.39Å; S145-T655 WeakPolarHBondContact CB-OG1 3.38Å; S145-T655 WeakPolarHBondContact OG-CG2 3.31Å; S145-T655 PolarHBondContact OG-OG1 3.41Å; D165-T655 WeakPolarHBondContact CB-OG1 3.42Å; D165-T655 VanDerWaalsContact CG-OG1 3.24Å; D165-T655 WeakPolarHBondContact OD2-CB 3.46Å; D165-T655 PolarHBondContact OD2-N 3.33Å; D165-T655 PolarHBondContact OD2-OG1 3Å; F167-T655 HydrophobicContact CB-CG2 3.86Å; F167-T655 HydrophobicContact CD1-CG2 3.87Å; F167-T655 HydrophobicContact CG-CG2 4.21Å; V180-T655 HydrophobicContact CG1-CG2 3.8Å; V180-T655 HydrophobicContact CG2-CG2 4.06Å; G378-T655 CarbonylContact C-O 3.41Å; G378-T655 VanDerWaalsContact CA-O 3.23Å; G378-T655 WeakPolarHBondContact CA-O 3.45Å; S379-T655 PolarHBondContact N-O 3.34Å; S379-T655 PolarHBondContact OG-N 3.12Å
656	I	98.3	Very high	93.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.9	170.1	-177.4	162.2	0	0	0	111.2	G143 I144 L376 I377 L382 C582 L585 I586	G143-I656 CarbonylContact C-O 3.58Å; G143-I656 WeakPolarHBondContact CA-O 3.32Å; I144-I656 HydrophobicContact CG2-CG2 3.62Å; I144-I656 PolarHBondContact N-O 3.43Å; I144-I656 PolarHBondContact O-N 2.89Å; L376-I656 HydrophobicContact CD1-CD1 4.41Å; L376-I656 HydrophobicContact CD2-CD1 4.38Å; I377-I656 CarbonylContact O-C 3.57Å; I377-I656 VanDerWaalsContact O-CA 3.31Å; I377-I656 WeakPolarHBondContact O-CA 3.3Å; L382-I656 HydrophobicContact CD2-CB 3.57Å; L382-I656 HydrophobicContact CD2-CD1 3.62Å; L382-I656 HydrophobicContact CD2-CG1 4.09Å; L382-I656 HydrophobicContact CD2-CG2 4.03Å; C582-I656 HydrophobicContact CB-CG2 3.88Å; L585-I656 HydrophobicContact CB-CD1 4.18Å; L585-I656 HydrophobicContact CD1-CD1 3.36Å; L585-I656 HydrophobicContact CG-CD1 4.4Å; I586-I656 HydrophobicContact CD1-CG2 4.1Å; I586-I656 HydrophobicContact CG1-CG2 3.91Å
657	V	98.2	Very high	93.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.9	172.3	-166.7	0	0	0	0	108.7	H142 F167 V169 L178 V180 L376 I377	H142-V657 CarbonylContact O-C 3.53Å; H142-V657 WeakPolarHBondContact O-CA 3.45Å; H142-V657 WeakPolarHBondContact O-CG1 3.41Å; F167-V657 HydrophobicContact CB-CG2 3.53Å; F167-V657 HydrophobicContact CD2-CG2 3.81Å; F167-V657 HydrophobicContact CG-CG2 3.82Å; V169-V657 HydrophobicContact CB-CG1 3.58Å; V169-V657 HydrophobicContact CG1-CG1 4.25Å; V169-V657 HydrophobicContact CG2-CG1 4.15Å; L178-V657 HydrophobicContact CB-CG1 4.14Å; L178-V657 HydrophobicContact CD2-CB 4.12Å; L178-V657 HydrophobicContact CD2-CG1 3.62Å; L178-V657 HydrophobicContact CG-CG1 3.92Å; V180-V657 HydrophobicContact CG2-CB 4.4Å; V180-V657 HydrophobicContact CG2-CG2 3.56Å; L376-V657 CarbonylContact C-O 3.5Å; L376-V657 WeakPolarHBondContact CA-O 3.45Å; I377-V657 PolarHBondContact N-O 3.43Å; I377-V657 PolarHBondContact O-N 3.43Å
658	A	98.1	Very high	93	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141	-179.2	0	0	0	0	0	111.2	A141 H142 I374 V375 L376 C582	A141-A658 WeakPolarHBondContact CA-O 3.44Å; H142-A658 PolarHBondContact N-O 3.23Å; H142-A658 PolarHBondContact O-N 3.29Å; I374-A658 HydrophobicContact CG2-CB 4.49Å; V375-A658 CarbonylContact O-C 3.44Å; V375-A658 WeakPolarHBondContact O-CA 3.24Å; L376-A658 HydrophobicContact CD2-CB 3.35Å; C582-A658 VanDerWaalsContact SG-CB 3.55Å
659	Y	97.6	Very high	92.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	126.9	173.5	170.4	-117.9	0	0	0	110.9	F102 K140 A141 A171 A176 L178 I255 I374 V375 V661	F102-Y659 HydrophobicContact CZ-CE2 4.19Å; K140-Y659 CarbonylContact O-C 3.53Å; K140-Y659 WeakPolarHBondContact O-CA 3.47Å; K140-Y659 WeakPolarHBondContact O-CD2 3.43Å; A141-Y659 HydrophobicContact CB-CD2 4.04Å; A171-Y659 HydrophobicContact CB-CD2 4.01Å; A171-Y659 HydrophobicContact CB-CE2 3.71Å; A176-Y659 HydrophobicContact CB-CD1 3.74Å; A176-Y659 HydrophobicContact CB-CD2 4.31Å; A176-Y659 HydrophobicContact CB-CE1 3.44Å; A176-Y659 VanDerWaalsContact CB-CE1 3.44Å; A176-Y659 HydrophobicContact CB-CE2 4.08Å; A176-Y659 HydrophobicContact CB-CG 4.17Å; L178-Y659 HydrophobicContact CD1-CD1 4.25Å; L178-Y659 HydrophobicContact CD1-CG 4.28Å; I255-Y659 HydrophobicContact CB-CE1 4.36Å; I255-Y659 HydrophobicContact CD1-CD1 4.25Å; I255-Y659 HydrophobicContact CG1-CD1 4.28Å; I255-Y659 HydrophobicContact CG1-CE1 4.33Å; I255-Y659 HydrophobicContact CG2-CE1 4.26Å; I374-Y659 CarbonylContact C-O 3.57Å; I374-Y659 WeakPolarHBondContact CA-O 3.25Å; V375-Y659 PolarHBondContact N-O 3.33Å; V375-Y659 PolarHBondContact O-N 3.09Å; Y659-V661 HydrophobicContact CD1-CG2 4.03Å; Y659-V661 HydrophobicContact CE1-CB 4.31Å; Y659-V661 HydrophobicContact CE1-CG2 3.94Å
660	E	95.9	Very high	91.5	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.084	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.7	171.1	-167.6	-164.1	138.8	0	0	109.8	K140 I374 Y672	K140-E660 HydrophobicContact CB-CB 4.38Å; K140-E660 HydrophobicContact CD-CB 4.02Å; K140-E660 HydrophobicContact CD-CG 4.3Å; K140-E660 WeakPolarHBondContact CD-OE2 3.49Å; K140-E660 WeakPolarHBondContact CE-OE2 3.4Å; K140-E660 IonicContact NZ-OE1 3.52Å; K140-E660 PolarHBondContact NZ-OE1 3.02Å; K140-E660 IonicContact NZ-OE2 2.7Å; K140-E660 PolarHBondContact NZ-OE2 2.93Å; K140-E660 PolarHBondContact O-N 3.47Å; I374-E660 HydrophobicContact CG1-CB 4.24Å; I374-E660 HydrophobicContact CG1-CG 4.16Å; E660-Y672 HydrophobicContact CG-CD2 4.35Å; E660-Y672 HydrophobicContact CG-CE2 4.23Å; E660-Y672 VanDerWaalsContact OE1-CD2 3.23Å; E660-Y672 WeakPolarHBondContact OE1-CD2 3.39Å
661	V	94.5	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.			trans	-72	134.2	-172.4	178.3	0	0	0	0	111.1	I255 F282 P371 G372 D373 V375 Y659 Y672	I255-V661 HydrophobicContact CG2-CG1 4.16Å; I255-V661 HydrophobicContact CG2-CG2 4.43Å; F282-V661 HydrophobicContact CB-CG1 3.66Å; F282-V661 HydrophobicContact CD1-CG1 4.01Å; F282-V661 HydrophobicContact CD2-CG1 3.53Å; F282-V661 HydrophobicContact CE2-CG1 4.13Å; F282-V661 HydrophobicContact CG-CG1 3.46Å; F282-V661 VanDerWaalsContact CG-CG1 3.46Å; P371-V661 CarbonylContact C-O 3.6Å; P371-V661 WeakPolarHBondContact CA-O 3.46Å; G372-V661 PolarHBondContact N-O 3.04Å; D373-V661 WeakPolarHBondContact O-CB 3.18Å; D373-V661 PolarHBondContact O-N 3.49Å; V375-V661 HydrophobicContact CG2-CG2 3.8Å; Y659-V661 HydrophobicContact CD1-CG2 4.03Å; Y659-V661 HydrophobicContact CE1-CB 4.31Å; Y659-V661 HydrophobicContact CE1-CG2 3.94Å; V661-Y672 WeakPolarHBondContact O-CD2 3.34Å; V661-Y672 VanDerWaalsContact O-CE2 3.23Å; V661-Y672 WeakPolarHBondContact O-CE2 3.41Å
662	G	91.3	Very high	89.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	164.1	178	170.7	0	0	0	0	0	113.4
663	V	89.9	Confident	87.4	Confident	53 Å²	53	39 Å²	39	32%	0.321	21%	0.207	S	C	.	.			trans	-89	108.4	175.9	-175.3	0	0	0	0	109.1	H173 F282 H665 Y672	H173-V663 CarbonylContact O-C 3.47Å; H173-V663 VanDerWaalsContact O-CA 3.24Å; H173-V663 WeakPolarHBondContact O-CA 3.26Å; F282-V663 HydrophobicContact CE2-CG2 4.43Å; F282-V663 HydrophobicContact CZ-CG2 3.78Å; V663-H665 PolarHBondContact O-CE1 3.18Å; V663-H665 VanDerWaalsContact O-CE1 3.24Å; V663-H665 PolarHBondContact O-N 3.19Å; V663-H665 PolarHBondContact O-ND1 2.99Å; V663-H665 VanDerWaalsContact O-ND1 3.15Å; V663-Y672 VanDerWaalsContact O-CE1 3.31Å; V663-Y672 WeakPolarHBondContact O-CE1 3.4Å
664	Y	90.3	Very high	85.1	Confident	22 Å²	22	41.8 Å²	41.8	9%	0.086	22%	0.22	C	C	.	.			trans	-79.6	115.4	-177	-178.4	-106.3	0	0	0	111.6	F102 N138 H173 G666 N667	F102-Y664 HydrophobicContact CB-CD1 3.55Å; F102-Y664 HydrophobicContact CB-CE1 3.47Å; F102-Y664 VanDerWaalsContact CB-CE1 3.47Å; F102-Y664 HydrophobicContact CB-CG 4.43Å; F102-Y664 AromaticContact CD1-CD1 3.62Å; F102-Y664 HydrophobicContact CD1-CD1 3.62Å; F102-Y664 HydrophobicContact CD1-CE1 4.33Å; F102-Y664 AromaticContact CD1-CG 3.74Å; F102-Y664 HydrophobicContact CD1-CG 3.74Å; F102-Y664 AromaticContact CD2-CD1 3.91Å; F102-Y664 HydrophobicContact CD2-CD1 3.91Å; F102-Y664 HydrophobicContact CD2-CD2 4.13Å; F102-Y664 AromaticContact CD2-CE1 3.87Å; F102-Y664 HydrophobicContact CD2-CE1 3.87Å; F102-Y664 HydrophobicContact CD2-CE2 4.09Å; F102-Y664 HydrophobicContact CD2-CG 4.03Å; F102-Y664 AromaticContact CD2-CZ 3.97Å; F102-Y664 HydrophobicContact CE1-CD1 4.27Å; F102-Y664 HydrophobicContact CE1-CD2 4.47Å; F102-Y664 AromaticContact CE1-CG 3.9Å; F102-Y664 HydrophobicContact CE1-CG 3.9Å; F102-Y664 HydrophobicContact CE2-CD2 4.08Å; F102-Y664 HydrophobicContact CE2-CE2 4.28Å; F102-Y664 HydrophobicContact CE2-CG 4.2Å; F102-Y664 AromaticContact CG-CD1 3.42Å; F102-Y664 HydrophobicContact CG-CD1 3.42Å; F102-Y664 VanDerWaalsContact CG-CD1 3.42Å; F102-Y664 HydrophobicContact CG-CD2 4.38Å; F102-Y664 AromaticContact CG-CE1 3.65Å; F102-Y664 HydrophobicContact CG-CE1 3.65Å; F102-Y664 AromaticContact CG-CG 3.81Å; F102-Y664 HydrophobicContact CG-CG 3.81Å; F102-Y664 HydrophobicContact CZ-CD2 4.24Å; F102-Y664 HydrophobicContact CZ-CG 4.13Å; N138-Y664 PolarHBondContact ND2-OH 3.49Å; H173-Y664 AromaticContact CE1-CD1 3.92Å; H173-Y664 PolarHBondContact ND1-O 3.32Å; H173-Y664 PolarHBondContact O-N 3.37Å; Y664-G666 VanDerWaalsContact CZ-C 3.5Å; Y664-G666 PolarHBondContact OH-O 3.44Å; Y664-N667 WeakPolarHBondContact CE2-O 3.36Å
665	H	86.1	Confident	82.5	Confident	135 Å²	135	44.4 Å²	44.4	63%	0.625	24%	0.237	S	C	*	.			trans	-91.6	3.1	-179.5	-60.7	100.3	0	0	0	114.2	V663 E670	V663-H665 PolarHBondContact O-CE1 3.18Å; V663-H665 VanDerWaalsContact O-CE1 3.24Å; V663-H665 PolarHBondContact O-N 3.19Å; V663-H665 PolarHBondContact O-ND1 2.99Å; V663-H665 VanDerWaalsContact O-ND1 3.15Å; H665-E670 WeakPolarHBondContact CB-OE2 3.38Å; H665-E670 IonicContact CE1-OE1 2.94Å; H665-E670 IonicContact CG-OE1 3.29Å; H665-E670 IonicContact CG-OE2 3.89Å; H665-E670 PolarHBondContact N-OE2 3.28Å; H665-E670 IonicContact ND1-OE1 3.46Å; H665-E670 PolarHBondContact ND1-OE1 3.15Å; H665-E670 IonicContact ND1-OE2 3.6Å
666	G	85.8	Confident	79.8	Confident	48 Å²	48	45.3 Å²	45.3	50%	0.495	24%	0.244	S	C	.	.	S	Bend	trans	112.6	-3.8	178	0	0	0	0	0	115.1	Y664	Y664-G666 VanDerWaalsContact CZ-C 3.5Å; Y664-G666 PolarHBondContact OH-O 3.44Å
667	N	83.5	Confident	77	Confident	82 Å²	82	51.7 Å²	51.7	44%	0.439	27%	0.273	S	S	.	.			trans	-109.3	114.9	178.8	176.2	18.8	0	0	0	110.8	Y664 N669 E670	Y664-N667 WeakPolarHBondContact CE2-O 3.36Å; N667-N669 PolarHBondContact O-N 3.25Å; N667-N669 WeakPolarHBondContact OD1-CB 3.31Å; N667-N669 PolarHBondContact OD1-N 2.85Å; N667-E670 HydrophobicContact CB-CB 4.17Å; N667-E670 PolarHBondContact ND2-N 3.03Å; N667-E670 WeakPolarHBondContact O-CB 3.48Å; N667-E670 PolarHBondContact O-N 2.8Å
668	E	79.8	Confident	74.3	Confident	78 Å²	78	60.3 Å²	60.3	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.3	175.5	52.5	147.9	-121.7	0	0	114.8	R139	R139-E668 WeakPolarHBondContact CD-O 3.3Å; R139-E668 IonicContact CZ-OE1 3.51Å; R139-E668 PolarHBondContact NE-O 3.42Å; R139-E668 IonicContact NH2-OE1 3.62Å; R139-E668 PolarHBondContact NH2-OE1 3.06Å
669	N	79.2	Confident	71.4	Confident	79 Å²	79	64.4 Å²	64.4	42%	0.422	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.3	173.2	-58.9	-93.7	0	0	0	112.3	R139 N667 V671	R139-N669 PolarHBondContact NH1-OD1 2.84Å; R139-N669 PolarHBondContact NH2-ND2 2.84Å; R139-N669 PolarHBondContact NH2-OD1 3.48Å; N667-N669 PolarHBondContact O-N 3.25Å; N667-N669 WeakPolarHBondContact OD1-CB 3.31Å; N667-N669 PolarHBondContact OD1-N 2.85Å; N669-V671 PolarHBondContact O-N 3.24Å; N669-V671 VanDerWaalsContact O-N 3.09Å
670	E	75.4	Confident	68.6	Low	42 Å²	42	70 Å²	70	20%	0.196	35%	0.353	C	S	.	.			trans	-63	111	174.4	-176.1	170.8	-167.8	0	0	109	K140 H665 N667 Y672	K140-E670 WeakPolarHBondContact CE-O 3.15Å; K140-E670 PolarHBondContact NZ-O 3.4Å; H665-E670 WeakPolarHBondContact CB-OE2 3.38Å; H665-E670 IonicContact CE1-OE1 2.94Å; H665-E670 IonicContact CG-OE1 3.29Å; H665-E670 IonicContact CG-OE2 3.89Å; H665-E670 PolarHBondContact N-OE2 3.28Å; H665-E670 IonicContact ND1-OE1 3.46Å; H665-E670 PolarHBondContact ND1-OE1 3.15Å; H665-E670 IonicContact ND1-OE2 3.6Å; N667-E670 HydrophobicContact CB-CB 4.17Å; N667-E670 PolarHBondContact ND2-N 3.03Å; N667-E670 WeakPolarHBondContact O-CB 3.48Å; N667-E670 PolarHBondContact O-N 2.8Å; E670-Y672 HydrophobicContact CG-CD1 4.36Å; E670-Y672 HydrophobicContact CG-CE1 4.5Å
671	V	71.7	Confident	65.7	Low	74 Å²	74	72.1 Å²	72.1	45%	0.448	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-78.5	119.6	162.6	-179.2	0	0	0	0	105.3	T575 N669 E673	T575-V671 HydrophobicContact CG2-CG2 4.08Å; N669-V671 PolarHBondContact O-N 3.24Å; N669-V671 VanDerWaalsContact O-N 3.09Å; V671-E673 PolarHBondContact O-N 3.16Å; V671-E673 VanDerWaalsContact O-N 3.09Å
672	Y	71.6	Confident	63.1	Low	12 Å²	12	75.1 Å²	75.1	5%	0.047	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-62.2	116	172.7	-59	-53.9	0	0	0	107.6	K140 P371 E660 V661 V663 E670 E674	K140-Y672 HydrophobicContact CD-CE2 4.23Å; P371-Y672 HydrophobicContact CB-CG 4.29Å; E660-Y672 HydrophobicContact CG-CD2 4.35Å; E660-Y672 HydrophobicContact CG-CE2 4.23Å; E660-Y672 VanDerWaalsContact OE1-CD2 3.23Å; E660-Y672 WeakPolarHBondContact OE1-CD2 3.39Å; V661-Y672 WeakPolarHBondContact O-CD2 3.34Å; V661-Y672 VanDerWaalsContact O-CE2 3.23Å; V661-Y672 WeakPolarHBondContact O-CE2 3.41Å; V663-Y672 VanDerWaalsContact O-CE1 3.31Å; V663-Y672 WeakPolarHBondContact O-CE1 3.4Å; E670-Y672 HydrophobicContact CG-CD1 4.36Å; E670-Y672 HydrophobicContact CG-CE1 4.5Å; Y672-E674 PolarHBondContact O-N 2.8Å; Y672-E674 VanDerWaalsContact O-N 3.15Å
673	E	55.4	Low	60.7	Low	175 Å²	175	81.4 Å²	81.4	82%	0.818	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-56.8	122.3	-171.5	-74.5	-169.7	163.1	0	0	110.6	V671 T675	V671-E673 PolarHBondContact O-N 3.16Å; V671-E673 VanDerWaalsContact O-N 3.09Å; E673-T675 PolarHBondContact O-N 2.99Å; E673-T675 PolarHBondContact O-OG1 3.02Å
674	E	50	Low	58.3	Low	57 Å²	57	85.7 Å²	85.7	27%	0.266	45%	0.453	S	S	.	.			trans	-60.4	95.8	-177.3	-73.4	180	-178	0	0	110.3	K299 F300 Y672 A676 H677	K299-E674 VanDerWaalsContact CD-OE1 3.27Å; K299-E674 WeakPolarHBondContact CD-OE1 3.43Å; K299-E674 WeakPolarHBondContact CE-OE1 3.38Å; K299-E674 IonicContact NZ-OE1 2.96Å; K299-E674 PolarHBondContact NZ-OE1 3.09Å; F300-E674 HydrophobicContact CE2-CG 4.35Å; F300-E674 HydrophobicContact CZ-CB 4.1Å; F300-E674 HydrophobicContact CZ-CG 4.06Å; Y672-E674 PolarHBondContact O-N 2.8Å; Y672-E674 VanDerWaalsContact O-N 3.15Å; E674-A676 PolarHBondContact O-N 3.19Å; E674-H677 PolarHBondContact O-N 3.22Å; E674-H677 VanDerWaalsContact O-N 3.14Å
675	T	42.4	Very low	55.7	Low	56 Å²	56	89.1 Å²	89.1	34%	0.344	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-3.4	-177.7	-40.9	0	0	0	0	111.7	K279 E673 H677	K279-T675 HydrophobicContact CG-CG2 4.01Å; E673-T675 PolarHBondContact O-N 2.99Å; E673-T675 PolarHBondContact O-OG1 3.02Å; T675-H677 VanDerWaalsContact C-N 3.32Å; T675-H677 PolarHBondContact O-N 3.35Å
676	A	41.5	Very low	53.5	Low	19 Å²	19	90.1 Å²	90.1	16%	0.157	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.9	170.1	0	0	0	0	0	114.4	F300 E674 R678 F679	F300-A676 HydrophobicContact CD1-CB 3.74Å; F300-A676 HydrophobicContact CD2-CB 3.95Å; F300-A676 HydrophobicContact CE1-CB 3.31Å; F300-A676 HydrophobicContact CE2-CB 3.54Å; F300-A676 HydrophobicContact CG-CB 4.05Å; F300-A676 HydrophobicContact CZ-CB 3.21Å; E674-A676 PolarHBondContact O-N 3.19Å; A676-R678 PolarHBondContact O-N 3.23Å; A676-F679 PolarHBondContact O-N 3.46Å
677	H	40.2	Very low	51	Low	136 Å²	136	92 Å²	92	63%	0.63	50%	0.497	S	S	*	.	H	α-helix	trans	-60.8	-17	-176.6	-93.3	-65.6	0	0	0	114.6	E674 T675 A681	E674-H677 PolarHBondContact O-N 3.22Å; E674-H677 VanDerWaalsContact O-N 3.14Å; T675-H677 VanDerWaalsContact C-N 3.32Å; T675-H677 PolarHBondContact O-N 3.35Å; H677-A681 WeakPolarHBondContact O-CB 3.26Å
678	R	40.4	Very low	48.8	Very low	181 Å²	181	94 Å²	94	68%	0.683	51%	0.514	S	S	*	.	H	α-helix	trans	-78.6	-27	171.9	-72.1	-175	178	166.6	2.2	114	A676 A681 A682	A676-R678 PolarHBondContact O-N 3.23Å; R678-A681 PolarHBondContact O-N 3.03Å; R678-A682 WeakPolarHBondContact O-CB 3.38Å; R678-A682 PolarHBondContact O-N 2.93Å; R678-A682 VanDerWaalsContact O-N 3.1Å
679	F	36.7	Very low	46.9	Very low	86 Å²	86	95.1 Å²	95.1	38%	0.377	53%	0.526	S	S	.	.	H	α-helix	trans	-75.5	-32.7	-177.6	-70.8	-81	0	0	0	113.1	A69 A676	A69-F679 HydrophobicContact CB-CD1 3.92Å; A69-F679 HydrophobicContact CB-CE1 3.77Å; A676-F679 PolarHBondContact O-N 3.46Å
680	L	38.7	Very low	44.8	Very low	117 Å²	117	99.4 Å²	99.4	61%	0.613	55%	0.549	S	S	*	.	H	α-helix	trans	-80.1	-25.3	173.1	-69.2	172	0	0	0	113.2
681	A	36.5	Very low	43.1	Very low	62 Å²	62	105.3 Å²	105.3	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-78.4	-37.7	178	0	0	0	0	0	112.9	H677 R678 N683 N684	H677-A681 WeakPolarHBondContact O-CB 3.26Å; R678-A681 PolarHBondContact O-N 3.03Å; A681-N683 VanDerWaalsContact C-N 3.26Å; A681-N683 PolarHBondContact O-N 2.87Å; A681-N684 PolarHBondContact O-N 2.99Å
682	A	39.1	Very low	41.5	Very low	64 Å²	64	106.5 Å²	106.5	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-63.4	-26.7	-175.5	0	0	0	0	0	114.3	R678 S685	R678-A682 WeakPolarHBondContact O-CB 3.38Å; R678-A682 PolarHBondContact O-N 2.93Å; R678-A682 VanDerWaalsContact O-N 3.1Å; A682-S685 PolarHBondContact O-OG 3.38Å
683	N	40.6	Very low	39.7	Very low	131 Å²	131	112.2 Å²	112.2	70%	0.701	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-2.3	179.7	-74.6	-7.5	0	0	0	114.4	A681	A681-N683 VanDerWaalsContact C-N 3.26Å; A681-N683 PolarHBondContact O-N 2.87Å
684	N	38.8	Very low	38.9	Very low	143 Å²	143	111 Å²	111	77%	0.765	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	1.9	177.9	-85.3	-39.4	0	0	0	114	A681 N686	A681-N684 PolarHBondContact O-N 2.99Å; N684-N686 PolarHBondContact O-N 3.34Å; N684-N686 VanDerWaalsContact O-N 3.09Å
685	S	36.8	Very low	38.1	Very low	95 Å²	95	113.3 Å²	113.3	66%	0.664	64%	0.639	S	S	*	*			trans	-85.1	57	173.2	60.2	0	0	0	0	112.7	A682 S687	A682-S685 PolarHBondContact O-OG 3.38Å; S685-S687 PolarHBondContact O-N 2.69Å
686	N	38.8	Very low	37.9	Very low	155 Å²	155	118.9 Å²	118.9	83%	0.829	66%	0.661	S	S	*	*			trans	-72.9	103.8	158.7	-91	-24.8	0	0	0	108	N684	N684-N686 PolarHBondContact O-N 3.34Å; N684-N686 VanDerWaalsContact O-N 3.09Å
687	S	33.5	Very low	37.8	Very low	89 Å²	89	123.2 Å²	123.2	62%	0.622	69%	0.69	S	S	*	*			trans	-58	129.5	173.5	56.1	0	0	0	0	110.2	S685 T689	S685-S687 PolarHBondContact O-N 2.69Å; S687-T689 PolarHBondContact O-N 3.19Å
688	P	37	Very low	37.2	Very low	123 Å²	123	125.3 Å²	125.3	80%	0.799	70%	0.7	S	S	*	*			trans	-68.4	98.8	167	28.5	-31.7	0	0	0	108	N690	P688-N690 PolarHBondContact O-N 3.5Å
689	T	39.7	Very low	37.4	Very low	102 Å²	102	125.8 Å²	125.8	63%	0.626	73%	0.727	S	S	*	*			trans	-66.5	121.2	170.3	40.3	0	0	0	0	108.6	S687 H691	S687-T689 PolarHBondContact O-N 3.19Å; T689-H691 VanDerWaalsContact C-N 3.33Å; T689-H691 PolarHBondContact O-N 3.26Å
690	N	36.1	Very low	37.4	Very low	168 Å²	168	127.8 Å²	127.8	90%	0.898	74%	0.744	S	S	*	*			trans	-64.2	90.9	175.1	-76.3	-44.1	0	0	0	110.1	P688	P688-N690 PolarHBondContact O-N 3.5Å
691	H	39.9	Very low	37.4	Very low	166 Å²	166	128.4 Å²	128.4	77%	0.769	75%	0.751	S	S	*	*			trans	-89.3	109.9	162.9	-87.6	-70.6	0	0	0	109.8	T689 V693	T689-H691 VanDerWaalsContact C-N 3.33Å; T689-H691 PolarHBondContact O-N 3.26Å; H691-V693 PolarHBondContact O-N 3.43Å
692	S	37.2	Very low	37.4	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	77%	0.765	S	S	*	*			trans	-55.4	126	173	50.1	0	0	0	0	111	I694	S692-I694 PolarHBondContact O-N 2.86Å
693	V	34.6	Very low	37.3	Very low	132 Å²	132	136.1 Å²	136.1	80%	0.8	78%	0.778	S	S	*	*			trans	-61	117.7	170.4	176.3	0	0	0	0	109.4	H691 T695	H691-V693 PolarHBondContact O-N 3.43Å; V693-T695 HydrophobicContact CG1-CG2 4.18Å
694	I	38.4	Very low	37.1	Very low	150 Å²	150	136.4 Å²	136.4	77%	0.769	78%	0.783	S	S	*	*			trans	-120.5	114.3	155.9	-62.1	-178.6	0	0	0	106.6	S692	S692-I694 PolarHBondContact O-N 2.86Å
695	T	34.1	Very low	37	Very low	105 Å²	105	135.9 Å²	135.9	64%	0.644	79%	0.785	S	S	*	*			trans	-68.9	142.2	179.2	49.1	0	0	0	0	111.8	V693	V693-T695 HydrophobicContact CG1-CG2 4.18Å
696	H	37.4	Very low	37	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.806	79%	0.793	S	S	*	*			trans	-163	109.4	139.4	-98.2	-61.2	0	0	0	112.7
697	S	40.4	Very low	36.9	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	79%	0.79	S	S	*	*			trans	35.3	125.4	144.6	50.2	0	0	0	0	122.7
698	E	27.3	Very low	37.1	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	80%	0.804	S	S	*	*			trans	-51.4	165.2	158.5	-71.4	171.8	142.2	0	0	114.6
699	P	43.5	Very low	37.2	Very low	192 Å²	192	143.4 Å²	143.4	100%	1.247	81%	0.805	S	S	*	*				-108.5	0	87.3	35.1	-39	0	0	0	115.4

Retrieved 699 of 699 residues in 568.9 ms (Link to these results)

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