A0A3Q0KJY2_SCHMA Loading...

Putative cys-loop ligand gated ion channel subunit

AlphaFold DB , UniProt , Accession A0A3Q0KJY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 512 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	39.3	Very low	53.1	Low	238 Å²	238	136.3 Å²	136.3	100%	1.172	69%	0.69	S	S	*	*				0	119.6	0	-70.2	-175.5	174	0	0	107.4
2	L	42.9	Very low	53.7	Low	157 Å²	157	132.8 Å²	132.8	82%	0.822	68%	0.675	S	S	*	*			cis	-143.7	133.4	-3.9	-131.1	99.8	0	0	0	105.2	N4	L2-N4 PolarHBondContact O-N 2.92Å
3	H	42.4	Very low	54.4	Low	192 Å²	192	131.4 Å²	131.4	89%	0.889	66%	0.664	S	S	*	*			trans	-49.9	117.8	166.2	-88.6	-70.2	0	0	0	110.2
4	N	50.2	Low	54.8	Low	98 Å²	98	128.7 Å²	128.7	52%	0.524	65%	0.651	S	S	.	*			trans	-114.1	100.5	162.4	-154.6	-18.7	0	0	0	108.7	L2 L6 I7	L2-N4 PolarHBondContact O-N 2.92Å; N4-L6 PolarHBondContact O-N 3.42Å; N4-L6 VanDerWaalsContact O-N 3.11Å; N4-I7 PolarHBondContact O-N 3.36Å
5	P	54.7	Low	54.9	Low	93 Å²	93	126.8 Å²	126.8	60%	0.604	64%	0.643	S	S	*	*	H	α-helix	trans	-66.2	-11.8	-173.2	25.2	-31.8	0	0	0	113.5	V9	P5-V9 WeakPolarHBondContact O-CG2 3.14Å
6	L	56	Low	54.9	Low	121 Å²	121	122.4 Å²	122.4	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-75.1	-28.5	-179.9	-78.7	158.5	0	0	0	114.1	N4 F10	N4-L6 PolarHBondContact O-N 3.42Å; N4-L6 VanDerWaalsContact O-N 3.11Å; L6-F10 PolarHBondContact O-N 3.31Å
7	I	56.5	Low	54.8	Low	111 Å²	111	120.1 Å²	120.1	57%	0.569	62%	0.62	S	S	*	*	H	α-helix	trans	-75.6	-32.2	-179.9	-64.7	172.3	0	0	0	110.9	N4 L11	N4-I7 PolarHBondContact O-N 3.36Å; I7-L11 HydrophobicContact CG2-CD1 4.14Å; I7-L11 PolarHBondContact O-N 2.79Å
8	F	56.4	Low	54.3	Low	154 Å²	154	121.6 Å²	121.6	68%	0.675	62%	0.622	S	S	*	*	H	α-helix	trans	-71.8	-33.9	177.6	-121	-87.2	0	0	0	112.6	N12	F8-N12 WeakPolarHBondContact O-CB 3.45Å; F8-N12 PolarHBondContact O-N 3.23Å
9	V	67.8	Low	54.1	Low	84 Å²	84	120.4 Å²	120.4	51%	0.509	62%	0.616	S	S	.	*	H	α-helix	trans	-68.9	-42.9	175.5	176.8	0	0	0	0	110.6	P5 N12 Q13	P5-V9 WeakPolarHBondContact O-CG2 3.14Å; V9-N12 PolarHBondContact O-N 3.13Å; V9-Q13 WeakPolarHBondContact O-CB 3.28Å; V9-Q13 PolarHBondContact O-N 3.05Å
10	F	58.5	Low	53.7	Low	138 Å²	138	118.9 Å²	118.9	61%	0.605	62%	0.616	S	S	*	*	H	α-helix	trans	-66.1	-40.4	177.1	-105.9	-85.1	0	0	0	113	L6 Q13 I14	L6-F10 PolarHBondContact O-N 3.31Å; F10-Q13 PolarHBondContact O-N 3.27Å; F10-I14 VanDerWaalsContact O-CG1 3.32Å; F10-I14 WeakPolarHBondContact O-CG1 2.99Å; F10-I14 PolarHBondContact O-N 3.32Å
11	L	59.3	Low	53.3	Low	113 Å²	113	117.1 Å²	117.1	59%	0.592	62%	0.619	S	S	*	*	H	α-helix	trans	-66.6	-38.9	175.2	-109.7	104.6	0	0	0	112.4	I7 I14 L15	I7-L11 HydrophobicContact CG2-CD1 4.14Å; I7-L11 PolarHBondContact O-N 2.79Å; L11-I14 PolarHBondContact O-N 3.33Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 2.94Å
12	N	60.9	Low	53.4	Low	94 Å²	94	113.5 Å²	113.5	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-71.6	-29	176.9	-84	-18	0	0	0	113.1	F8 V9 S16	F8-N12 WeakPolarHBondContact O-CB 3.45Å; F8-N12 PolarHBondContact O-N 3.23Å; V9-N12 PolarHBondContact O-N 3.13Å; N12-S16 VanDerWaalsContact O-CB 3.26Å; N12-S16 WeakPolarHBondContact O-CB 3.25Å; N12-S16 PolarHBondContact O-N 3.43Å; N12-S16 PolarHBondContact O-OG 3.16Å
13	Q	62.5	Low	53.1	Low	115 Å²	115	113.9 Å²	113.9	54%	0.537	60%	0.597	S	S	.	*	H	α-helix	trans	-72.5	-35	172.4	-114.4	162.3	-22.1	0	0	112.3	V9 F10 S16 T17	V9-Q13 WeakPolarHBondContact O-CB 3.28Å; V9-Q13 PolarHBondContact O-N 3.05Å; F10-Q13 PolarHBondContact O-N 3.27Å; Q13-S16 WeakPolarHBondContact CA-OG 3.4Å; Q13-S16 PolarHBondContact O-OG 3.48Å; Q13-T17 WeakPolarHBondContact O-CB 3.39Å; Q13-T17 VanDerWaalsContact O-CG2 3.29Å; Q13-T17 WeakPolarHBondContact O-CG2 3.35Å; Q13-T17 PolarHBondContact O-N 3.32Å; Q13-T17 VanDerWaalsContact O-N 3.08Å; Q13-T17 PolarHBondContact O-OG1 3.21Å
14	I	60.4	Low	52.8	Low	94 Å²	94	111.9 Å²	111.9	48%	0.482	59%	0.592	S	S	.	*	H	α-helix	trans	-72.2	-40.2	173.2	-64.4	167.8	0	0	0	110.3	F10 L11 T17 F18	F10-I14 VanDerWaalsContact O-CG1 3.32Å; F10-I14 WeakPolarHBondContact O-CG1 2.99Å; F10-I14 PolarHBondContact O-N 3.32Å; L11-I14 PolarHBondContact O-N 3.33Å; I14-T17 WeakPolarHBondContact CA-OG1 3.11Å; I14-T17 PolarHBondContact O-N 3.39Å; I14-T17 PolarHBondContact O-OG1 3.5Å; I14-F18 HydrophobicContact CG2-CD2 4Å; I14-F18 HydrophobicContact CG2-CE2 4.21Å; I14-F18 WeakPolarHBondContact O-CD2 3.36Å; I14-F18 PolarHBondContact O-N 3.14Å
15	L	56.6	Low	52	Low	100 Å²	100	112 Å²	112	52%	0.524	60%	0.598	S	S	.	*	H	α-helix	trans	-68.9	-38.7	177.6	-142	80.7	0	0	0	112.2	L11 F18 I19	L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 2.94Å; L15-F18 PolarHBondContact O-N 3.47Å; L15-I19 HydrophobicContact CD2-CD1 4.14Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 WeakPolarHBondContact O-CB 3.42Å; L15-I19 WeakPolarHBondContact O-CD1 3.4Å; L15-I19 WeakPolarHBondContact O-CG1 3.49Å; L15-I19 PolarHBondContact O-N 3.11Å
16	S	54.2	Low	50.9	Low	56 Å²	56	115.5 Å²	115.5	39%	0.392	61%	0.612	S	S	.	*	H	α-helix	trans	-72.5	-29.3	176.8	57.2	0	0	0	0	113.4	N12 Q13 S20	N12-S16 VanDerWaalsContact O-CB 3.26Å; N12-S16 WeakPolarHBondContact O-CB 3.25Å; N12-S16 PolarHBondContact O-N 3.43Å; N12-S16 PolarHBondContact O-OG 3.16Å; Q13-S16 WeakPolarHBondContact CA-OG 3.4Å; Q13-S16 PolarHBondContact O-OG 3.48Å; S16-S20 WeakPolarHBondContact O-CB 3.31Å; S16-S20 PolarHBondContact O-N 2.75Å; S16-S20 PolarHBondContact O-OG 3.5Å
17	T	53.8	Low	49.9	Very low	84 Å²	84	113.9 Å²	113.9	52%	0.515	61%	0.611	S	S	.	*	H	α-helix	trans	-73.9	-33	171.9	47.2	0	0	0	0	112.1	Q13 I14 A21	Q13-T17 WeakPolarHBondContact O-CB 3.39Å; Q13-T17 VanDerWaalsContact O-CG2 3.29Å; Q13-T17 WeakPolarHBondContact O-CG2 3.35Å; Q13-T17 PolarHBondContact O-N 3.32Å; Q13-T17 VanDerWaalsContact O-N 3.08Å; Q13-T17 PolarHBondContact O-OG1 3.21Å; I14-T17 WeakPolarHBondContact CA-OG1 3.11Å; I14-T17 PolarHBondContact O-N 3.39Å; I14-T17 PolarHBondContact O-OG1 3.5Å; T17-A21 WeakPolarHBondContact O-CB 3.09Å; T17-A21 PolarHBondContact O-N 3.13Å
18	F	45.4	Very low	48.8	Very low	146 Å²	146	116.5 Å²	116.5	64%	0.64	63%	0.625	S	S	*	*	H	α-helix	trans	-73.6	-33.3	171.5	-91.8	-82.4	0	0	0	113.6	I14 L15	I14-F18 HydrophobicContact CG2-CD2 4Å; I14-F18 HydrophobicContact CG2-CE2 4.21Å; I14-F18 WeakPolarHBondContact O-CD2 3.36Å; I14-F18 PolarHBondContact O-N 3.14Å; L15-F18 PolarHBondContact O-N 3.47Å
19	I	50.3	Low	47.7	Very low	99 Å²	99	116.3 Å²	116.3	51%	0.508	63%	0.629	S	S	.	*	H	α-helix	trans	-79.8	-31.9	177.8	-66.2	165.5	0	0	0	111.5	L15 Q22	L15-I19 HydrophobicContact CD2-CD1 4.14Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 WeakPolarHBondContact O-CB 3.42Å; L15-I19 WeakPolarHBondContact O-CD1 3.4Å; L15-I19 WeakPolarHBondContact O-CG1 3.49Å; L15-I19 PolarHBondContact O-N 3.11Å; I19-Q22 PolarHBondContact O-N 2.73Å
20	S	45.9	Very low	45.8	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	65%	0.648	S	S	*	*	H	α-helix	trans	-78.3	-19.7	176.2	-54	0	0	0	0	113.3	S16 Q22	S16-S20 WeakPolarHBondContact O-CB 3.31Å; S16-S20 PolarHBondContact O-N 2.75Å; S16-S20 PolarHBondContact O-OG 3.5Å; S20-Q22 VanDerWaalsContact C-N 3.3Å
21	A	44.7	Very low	44.6	Very low	82 Å²	82	123.8 Å²	123.8	68%	0.678	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-7.9	173.1	0	0	0	0	0	113.7	T17	T17-A21 WeakPolarHBondContact O-CB 3.09Å; T17-A21 PolarHBondContact O-N 3.13Å
22	Q	42.8	Very low	43.3	Very low	163 Å²	163	126.1 Å²	126.1	76%	0.762	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	2.8	178.7	-72.8	-170.9	-27.2	0	0	114.4	I19 S20	I19-Q22 PolarHBondContact O-N 2.73Å; S20-Q22 VanDerWaalsContact C-N 3.3Å
23	H	36.5	Very low	41.7	Very low	164 Å²	164	127 Å²	127	76%	0.759	68%	0.678	S	S	*	*			trans	-126.9	68.6	175.3	-85.1	-53	0	0	0	111.6
24	L	35.6	Very low	40.2	Very low	150 Å²	150	128 Å²	128	79%	0.785	69%	0.687	S	S	*	*			trans	-97.2	125.1	157.3	-156.7	78.9	0	0	0	108	N26	L24-N26 PolarHBondContact O-N 3.18Å; L24-N26 VanDerWaalsContact O-N 3.15Å
25	P	34.1	Very low	39	Very low	101 Å²	101	129.6 Å²	129.6	66%	0.656	70%	0.695	S	S	*	*			trans	-73.6	110	-179.4	29.2	-30.4	0	0	0	108.9	S27	P25-S27 PolarHBondContact O-N 3.49Å
26	N	31.9	Very low	37.8	Very low	167 Å²	167	130.5 Å²	130.5	89%	0.893	70%	0.701	S	S	*	*			trans	-70.7	74.4	165.2	-84.3	-12.5	0	0	0	109.4	L24	L24-N26 PolarHBondContact O-N 3.18Å; L24-N26 VanDerWaalsContact O-N 3.15Å
27	S	34.5	Very low	36.6	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	72%	0.721	S	S	*	*			trans	-104.8	125.3	157.3	57.9	0	0	0	0	107.3	P25	P25-S27 PolarHBondContact O-N 3.49Å
28	L	33.2	Very low	35.6	Very low	165 Å²	165	137.4 Å²	137.4	86%	0.864	73%	0.729	S	S	*	*	S	Bend	trans	88.4	66.1	-177.2	-56.7	153.5	0	0	0	115.3
29	I	33	Very low	35.1	Very low	151 Å²	151	136.4 Å²	136.4	77%	0.774	73%	0.734	S	S	*	*				-153	88.9	123.3	-80.2	136.9	0	0	0	104.5	E31	I29-E31 HydrophobicContact CG2-CB 3.9Å; I29-E31 HydrophobicContact CG2-CG 4.08Å; I29-E31 PolarHBondContact O-N 2.87Å
30	K	28.9	Very low	34.1	Very low	207 Å²	207	135.8 Å²	135.8	90%	0.9	74%	0.735	S	S	*	*			trans	-85.4	73.3	153.2	-95.7	-176.4	173.7	-178.2	0	105.4	E32	K30-E32 VanDerWaalsContact C-N 3.25Å; K30-E32 PolarHBondContact O-N 3.1Å
31	E	33	Very low	33.6	Very low	172 Å²	172	138 Å²	138	80%	0.804	74%	0.739	S	S	*	*			trans	-76.9	96.9	149.4	-89.2	-175.6	156.9	0	0	104.8	I29 C33	I29-E31 HydrophobicContact CG2-CB 3.9Å; I29-E31 HydrophobicContact CG2-CG 4.08Å; I29-E31 PolarHBondContact O-N 2.87Å; E31-C33 VanDerWaalsContact C-N 3.27Å; E31-C33 PolarHBondContact O-N 3.18Å
32	E	30.4	Very low	33.6	Very low	161 Å²	161	141.8 Å²	141.8	75%	0.752	74%	0.741	S	S	*	*			trans	-50.5	105	155.8	-83.3	176	153.9	0	0	106.5	K30 N34	K30-E32 VanDerWaalsContact C-N 3.25Å; K30-E32 PolarHBondContact O-N 3.1Å; E32-N34 PolarHBondContact O-N 3.44Å
33	C	27.4	Very low	33.9	Very low	114 Å²	114	138.1 Å²	138.1	77%	0.77	73%	0.733	S	S	*	*			trans	-64.1	83.1	157.8	-151.9	0	0	0	0	104.9	E31 L35	E31-C33 VanDerWaalsContact C-N 3.27Å; E31-C33 PolarHBondContact O-N 3.18Å; C33-L35 PolarHBondContact O-N 2.7Å
34	N	31.1	Very low	34.6	Very low	136 Å²	136	135.3 Å²	135.3	73%	0.727	72%	0.723	S	S	*	*			trans	-63	80.8	158.1	-107.3	-25.6	0	0	0	104.6	E32 N36	E32-N34 PolarHBondContact O-N 3.44Å; N34-N36 PolarHBondContact O-N 3.48Å
35	L	35.7	Very low	36.5	Very low	126 Å²	126	130.7 Å²	130.7	66%	0.66	70%	0.704	S	S	*	*			trans	-56.4	101.3	160.3	-152.9	94.6	0	0	0	103.4	C33 K37	C33-L35 PolarHBondContact O-N 2.7Å; L35-K37 PolarHBondContact O-N 3.49Å
36	N	30.8	Very low	38.7	Very low	120 Å²	120	128 Å²	128	64%	0.642	68%	0.683	S	S	*	*			trans	-45.4	110.8	170.6	-103.3	-14.7	0	0	0	105.9	N34 S38 V39	N34-N36 PolarHBondContact O-N 3.48Å; N36-S38 PolarHBondContact O-N 3.44Å; N36-V39 PolarHBondContact O-N 2.92Å; N36-V39 VanDerWaalsContact O-N 3.11Å
37	K	30.3	Very low	41	Very low	189 Å²	189	125.9 Å²	125.9	82%	0.822	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	30.4	176.8	-101.5	177.2	174.4	175.1	0	111.7	L35 T40	L35-K37 PolarHBondContact O-N 3.49Å; K37-T40 PolarHBondContact O-OG1 3.42Å
38	S	31.6	Very low	43.2	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	6.2	169.4	63.8	0	0	0	0	112.8	N36	N36-S38 PolarHBondContact O-N 3.44Å
39	V	34.8	Very low	45.7	Very low	124 Å²	124	119.4 Å²	119.4	75%	0.752	63%	0.629	S	S	*	*	S	Bend	trans	-111.7	56.9	160	-168.7	0	0	0	0	108.9	N36	N36-V39 PolarHBondContact O-N 2.92Å; N36-V39 VanDerWaalsContact O-N 3.11Å
40	T	30.2	Very low	48.1	Very low	87 Å²	87	112.8 Å²	112.8	53%	0.534	60%	0.595	S	S	.	*			trans	-112.6	122.6	173.8	35.5	0	0	0	0	107.3	K37	K37-T40 PolarHBondContact O-OG1 3.42Å
41	L	35.9	Very low	50.8	Low	135 Å²	135	106.9 Å²	106.9	71%	0.707	57%	0.571	S	S	*	*	S	Bend	trans	79.6	72.3	167	-64.3	132	0	0	0	119.3
42	K	44.1	Very low	53.4	Low	163 Å²	163	103.7 Å²	103.7	71%	0.709	56%	0.56	S	S	*	*	S	Bend	trans	-123.3	-0.1	137.6	-101.3	-173.5	-180	-175.1	0	113.4	N44 S45	K42-N44 VanDerWaalsContact C-N 3.31Å; K42-N44 PolarHBondContact O-N 3.08Å; K42-S45 VanDerWaalsContact O-CB 3.27Å; K42-S45 WeakPolarHBondContact O-CB 3.46Å; K42-S45 PolarHBondContact O-N 3.43Å
43	S	48.6	Very low	56	Low	85 Å²	85	97.7 Å²	97.7	59%	0.594	53%	0.533	S	S	*	.	H	α-helix	trans	-63.1	-33.4	-178.1	58	0	0	0	0	113.3	S45 L46	S43-S45 PolarHBondContact O-N 3.41Å; S43-L46 PolarHBondContact O-N 3.08Å
44	N	52.6	Low	58.9	Low	105 Å²	105	92.9 Å²	92.9	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-64.1	-23.7	175.5	-70.1	6.6	0	0	0	112.5	K42 T48	K42-N44 VanDerWaalsContact C-N 3.31Å; K42-N44 PolarHBondContact O-N 3.08Å; N44-T48 WeakPolarHBondContact O-CB 3.35Å; N44-T48 VanDerWaalsContact O-CG2 3.22Å; N44-T48 WeakPolarHBondContact O-CG2 3.39Å; N44-T48 PolarHBondContact O-N 3.38Å; N44-T48 PolarHBondContact O-OG1 3.14Å
45	S	75.3	Confident	61.4	Low	54 Å²	54	90.8 Å²	90.8	38%	0.378	50%	0.495	S	S	.	.	H	α-helix	trans	-74.6	-42.2	-179.3	-169	0	0	0	0	112.1	K42 S43 T48 E49	K42-S45 VanDerWaalsContact O-CB 3.27Å; K42-S45 WeakPolarHBondContact O-CB 3.46Å; K42-S45 PolarHBondContact O-N 3.43Å; S43-S45 PolarHBondContact O-N 3.41Å; S45-T48 PolarHBondContact O-OG1 3.26Å; S45-E49 WeakPolarHBondContact O-CB 3.17Å; S45-E49 PolarHBondContact O-N 2.89Å
46	L	79.4	Confident	63.8	Low	43 Å²	43	89.9 Å²	89.9	23%	0.225	50%	0.495	C	S	.	.	H	α-helix	trans	-72.1	-45.2	-175.4	-177.1	68.3	0	0	0	111.3	S43 T48 E49 I50 F126 H130 F132	S43-L46 PolarHBondContact O-N 3.08Å; L46-T48 VanDerWaalsContact C-N 3.33Å; L46-T48 PolarHBondContact O-N 3.25Å; L46-E49 PolarHBondContact O-N 2.98Å; L46-I50 HydrophobicContact CD1-CD1 4.5Å; L46-I50 HydrophobicContact CG-CD1 3.95Å; L46-I50 WeakPolarHBondContact O-CD1 3.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.19Å; L46-F126 HydrophobicContact CD1-CD1 4.05Å; L46-F126 HydrophobicContact CD1-CE1 4.05Å; L46-H130 HydrophobicContact CD1-CB 4.22Å; L46-F132 HydrophobicContact CD1-CD1 4.25Å; L46-F132 HydrophobicContact CD1-CE1 3.93Å
47	E	79.5	Confident	66.5	Low	123 Å²	123	85.2 Å²	85.2	58%	0.575	47%	0.468	S	S	*	.	H	α-helix	trans	-64.2	-39	179.4	-168.7	170	-173.5	0	0	111.8	I50 Q51	E47-I50 PolarHBondContact O-N 3.4Å; E47-Q51 WeakPolarHBondContact O-CG 3.32Å; E47-Q51 PolarHBondContact O-N 3.18Å
48	T	82.2	Confident	69.3	Low	79 Å²	79	79.3 Å²	79.3	49%	0.485	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-39.5	174.2	50.3	0	0	0	0	112.5	N44 S45 L46 I50 Q51 N52	N44-T48 WeakPolarHBondContact O-CB 3.35Å; N44-T48 VanDerWaalsContact O-CG2 3.22Å; N44-T48 WeakPolarHBondContact O-CG2 3.39Å; N44-T48 PolarHBondContact O-N 3.38Å; N44-T48 PolarHBondContact O-OG1 3.14Å; S45-T48 PolarHBondContact O-OG1 3.26Å; L46-T48 VanDerWaalsContact C-N 3.33Å; L46-T48 PolarHBondContact O-N 3.25Å; T48-I50 PolarHBondContact O-N 3.28Å; T48-Q51 PolarHBondContact O-N 3.23Å; T48-N52 WeakPolarHBondContact O-CB 3.29Å; T48-N52 PolarHBondContact O-N 3.04Å; T48-N52 PolarHBondContact O-ND2 2.94Å
49	E	84.5	Confident	72	Confident	37 Å²	37	81.5 Å²	81.5	17%	0.173	44%	0.442	C	S	.	.	H	α-helix	trans	-62.4	-42	173.8	-168.4	175.5	-175	0	0	111.4	S45 L46 N52 L53 F126 S127 H130	S45-E49 WeakPolarHBondContact O-CB 3.17Å; S45-E49 PolarHBondContact O-N 2.89Å; L46-E49 PolarHBondContact O-N 2.98Å; E49-N52 PolarHBondContact O-N 3.17Å; E49-L53 HydrophobicContact CG-CD1 4.41Å; E49-L53 WeakPolarHBondContact O-CG 3.27Å; E49-L53 PolarHBondContact O-N 3.48Å; E49-F126 HydrophobicContact CB-CE1 4.29Å; E49-F126 HydrophobicContact CG-CD1 4.01Å; E49-F126 HydrophobicContact CG-CE1 4.01Å; E49-S127 PolarHBondContact OE1-N 3.47Å; E49-S127 PolarHBondContact OE1-OG 2.94Å; E49-S127 VanDerWaalsContact OE1-OG 3.05Å; E49-H130 IonicContact OE2-CD2 3.8Å; E49-H130 PolarHBondContact OE2-CD2 3.24Å; E49-H130 IonicContact OE2-NE2 3.68Å
50	I	84.4	Confident	74.4	Confident	12 Å²	12	81 Å²	81	6%	0.062	44%	0.439	C	S	.	.	H	α-helix	trans	-60.6	-49.1	175.5	-66.5	155.3	0	0	0	110.9	L46 E47 T48 N52 L53 L54 F126 L135 Y139	L46-I50 HydrophobicContact CD1-CD1 4.5Å; L46-I50 HydrophobicContact CG-CD1 3.95Å; L46-I50 WeakPolarHBondContact O-CD1 3.24Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; L46-I50 PolarHBondContact O-N 3.19Å; E47-I50 PolarHBondContact O-N 3.4Å; T48-I50 PolarHBondContact O-N 3.28Å; I50-N52 VanDerWaalsContact C-N 3.3Å; I50-N52 PolarHBondContact O-N 2.88Å; I50-L53 PolarHBondContact O-N 2.81Å; I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.24Å; I50-L54 WeakPolarHBondContact O-CB 3.43Å; I50-L54 VanDerWaalsContact O-CG 3.31Å; I50-L54 WeakPolarHBondContact O-CG 3.35Å; I50-L54 PolarHBondContact O-N 2.94Å; I50-F126 HydrophobicContact CB-CZ 4.37Å; I50-F126 HydrophobicContact CG1-CE1 3.65Å; I50-F126 HydrophobicContact CG1-CZ 3.48Å; I50-F126 VanDerWaalsContact CG1-CZ 3.48Å; I50-L135 HydrophobicContact CD1-CD2 3.45Å; I50-L135 VanDerWaalsContact CD1-CD2 3.45Å; I50-L135 HydrophobicContact CG1-CD2 4.08Å; I50-Y139 WeakPolarHBondContact CG2-OH 3.22Å
51	Q	85	Confident	77	Confident	83 Å²	83	82.4 Å²	82.4	39%	0.388	44%	0.439	S	S	.	.	H	α-helix	trans	-63.4	-38.3	179.7	-68.4	-62.4	-20.4	0	0	111.7	E47 T48 L54 S55	E47-Q51 WeakPolarHBondContact O-CG 3.32Å; E47-Q51 PolarHBondContact O-N 3.18Å; T48-Q51 PolarHBondContact O-N 3.23Å; Q51-L54 PolarHBondContact O-N 3.3Å; Q51-S55 VanDerWaalsContact O-CB 3.3Å; Q51-S55 WeakPolarHBondContact O-CB 3.21Å; Q51-S55 PolarHBondContact O-N 2.97Å; Q51-S55 PolarHBondContact O-OG 3.35Å
52	N	86.9	Confident	79.5	Confident	106 Å²	106	78 Å²	78	57%	0.567	41%	0.413	S	S	*	.	H	α-helix	trans	-63.4	-46	174.7	-73.8	-15	0	0	0	111.8	T48 E49 I50 S55 T56	T48-N52 WeakPolarHBondContact O-CB 3.29Å; T48-N52 PolarHBondContact O-N 3.04Å; T48-N52 PolarHBondContact O-ND2 2.94Å; E49-N52 PolarHBondContact O-N 3.17Å; I50-N52 VanDerWaalsContact C-N 3.3Å; I50-N52 PolarHBondContact O-N 2.88Å; N52-S55 PolarHBondContact O-N 2.78Å; N52-S55 PolarHBondContact O-OG 3.18Å; N52-T56 PolarHBondContact O-N 3.26Å; N52-T56 PolarHBondContact O-OG1 3.42Å; N52-T56 VanDerWaalsContact O-OG1 3.1Å
53	L	86.2	Confident	81.4	Confident	35 Å²	35	70.3 Å²	70.3	18%	0.183	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-46	175.9	-73.1	173.5	0	0	0	111.2	E49 I50 S55 T56 Y57 L124 F126	E49-L53 HydrophobicContact CG-CD1 4.41Å; E49-L53 WeakPolarHBondContact O-CG 3.27Å; E49-L53 PolarHBondContact O-N 3.48Å; I50-L53 PolarHBondContact O-N 2.81Å; L53-S55 VanDerWaalsContact C-N 3.31Å; L53-S55 PolarHBondContact O-N 3.4Å; L53-T56 PolarHBondContact O-N 3.33Å; L53-T56 PolarHBondContact O-OG1 2.96Å; L53-T56 VanDerWaalsContact O-OG1 3.05Å; L53-Y57 VanDerWaalsContact O-CB 3.31Å; L53-Y57 WeakPolarHBondContact O-CB 3.02Å; L53-Y57 PolarHBondContact O-N 3.4Å; L53-Y57 VanDerWaalsContact O-N 3.12Å; L53-L124 HydrophobicContact CB-CD2 4.45Å; L53-F126 HydrophobicContact CD1-CD1 4.08Å; L53-F126 HydrophobicContact CD1-CD2 4.32Å; L53-F126 HydrophobicContact CD1-CE1 3.64Å; L53-F126 HydrophobicContact CD1-CE2 3.89Å; L53-F126 HydrophobicContact CD1-CG 4.4Å; L53-F126 HydrophobicContact CD1-CZ 3.52Å
54	L	86.9	Confident	82.8	Confident	12 Å²	12	74.6 Å²	74.6	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-65.3	-33.4	178.3	-70.2	171.9	0	0	0	112.7	I50 Q51 T56 Y57 L124 Y139 A140 Q143 I144	I50-L54 HydrophobicContact CG2-CD1 3.66Å; I50-L54 HydrophobicContact CG2-CG 4.24Å; I50-L54 WeakPolarHBondContact O-CB 3.43Å; I50-L54 VanDerWaalsContact O-CG 3.31Å; I50-L54 WeakPolarHBondContact O-CG 3.35Å; I50-L54 PolarHBondContact O-N 2.94Å; Q51-L54 PolarHBondContact O-N 3.3Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 2.91Å; L54-Y57 PolarHBondContact O-N 2.83Å; L54-L124 HydrophobicContact CD2-CD2 4.39Å; L54-Y139 HydrophobicContact CD1-CE2 4.25Å; L54-A140 HydrophobicContact CD1-CB 3.72Å; L54-A140 HydrophobicContact CD2-CB 3.96Å; L54-Q143 HydrophobicContact CD2-CB 4.41Å; L54-I144 HydrophobicContact CD2-CG2 3.91Å
55	S	85.2	Confident	83.2	Confident	92 Å²	92	69.9 Å²	69.9	64%	0.643	36%	0.358	S	S	*	.	H	α-helix	trans	-68.9	-30.8	178.2	74.6	0	0	0	0	113.3	Q51 N52 L53	Q51-S55 VanDerWaalsContact O-CB 3.3Å; Q51-S55 WeakPolarHBondContact O-CB 3.21Å; Q51-S55 PolarHBondContact O-N 2.97Å; Q51-S55 PolarHBondContact O-OG 3.35Å; N52-S55 PolarHBondContact O-N 2.78Å; N52-S55 PolarHBondContact O-OG 3.18Å; L53-S55 VanDerWaalsContact C-N 3.31Å; L53-S55 PolarHBondContact O-N 3.4Å
56	T	85.1	Confident	82.3	Confident	107 Å²	107	72.8 Å²	72.8	66%	0.656	37%	0.368	S	S	*	.	H	α-helix	trans	-91.9	-7.9	178.9	53.9	0	0	0	0	112.6	N52 L53 L54	N52-T56 PolarHBondContact O-N 3.26Å; N52-T56 PolarHBondContact O-OG1 3.42Å; N52-T56 VanDerWaalsContact O-OG1 3.1Å; L53-T56 PolarHBondContact O-N 3.33Å; L53-T56 PolarHBondContact O-OG1 2.96Å; L53-T56 VanDerWaalsContact O-OG1 3.05Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 2.91Å
57	Y	88.6	Confident	81.2	Confident	22 Å²	22	73 Å²	73	9%	0.086	37%	0.368	C	S	.	.			trans	-80	125.2	-173.3	-173.2	-84	0	0	0	112.6	L53 L54 R59 D121 R123 L124 Q143 I144 W145	L53-Y57 VanDerWaalsContact O-CB 3.31Å; L53-Y57 WeakPolarHBondContact O-CB 3.02Å; L53-Y57 PolarHBondContact O-N 3.4Å; L53-Y57 VanDerWaalsContact O-N 3.12Å; L54-Y57 PolarHBondContact O-N 2.83Å; Y57-R59 HydrophobicContact CE1-CB 4.24Å; Y57-D121 VanDerWaalsContact CE2-OD2 3.27Å; Y57-D121 WeakPolarHBondContact CE2-OD2 3.49Å; Y57-D121 PolarHBondContact OH-OD2 3.04Å; Y57-R123 HydrophobicContact CD2-CB 4.06Å; Y57-R123 HydrophobicContact CE2-CB 4.06Å; Y57-R123 PolarHBondContact OH-NH2 2.89Å; Y57-L124 HydrophobicContact CD2-CD1 4.08Å; Y57-L124 HydrophobicContact CD2-CD2 3.76Å; Y57-L124 HydrophobicContact CD2-CG 3.76Å; Y57-L124 HydrophobicContact CE2-CD1 3.61Å; Y57-L124 HydrophobicContact CE2-CD2 4.16Å; Y57-L124 HydrophobicContact CE2-CG 3.66Å; Y57-L124 HydrophobicContact CG-CD2 4.48Å; Y57-Q143 WeakPolarHBondContact CD1-O 3.34Å; Y57-Q143 WeakPolarHBondContact CE1-O 3.35Å; Y57-I144 HydrophobicContact CE1-CB 4.34Å; Y57-W145 HydrophobicContact CE1-CB 4.29Å; Y57-W145 WeakPolarHBondContact OH-CB 3.25Å; Y57-W145 PolarHBondContact OH-N 3.19Å
58	V	88.7	Confident	79.6	Confident	65 Å²	65	72.6 Å²	72.6	39%	0.394	37%	0.368	S	S	.	.			trans	-96.4	103.6	177.2	-178.1	0	0	0	0	110.3	T60 E61 R123	V58-T60 VanDerWaalsContact C-N 3.28Å; V58-T60 VanDerWaalsContact CG1-OG1 3.26Å; V58-T60 WeakPolarHBondContact CG1-OG1 3.42Å; V58-T60 PolarHBondContact O-N 2.94Å; V58-E61 HydrophobicContact CG1-CB 4.35Å; V58-E61 HydrophobicContact CG1-CG 3.87Å; V58-E61 PolarHBondContact O-N 3.38Å; V58-R123 PolarHBondContact O-NH1 3.2Å
59	R	87.7	Confident	78.2	Confident	143 Å²	143	71.4 Å²	71.4	54%	0.54	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.4	-178.4	65.5	171.6	-91.8	-174.8	-11	116.2	Y57 E61 N142 Q143 W145	Y57-R59 HydrophobicContact CE1-CB 4.24Å; R59-E61 VanDerWaalsContact C-N 3.3Å; R59-N142 WeakPolarHBondContact CD-O 3.48Å; R59-N142 PolarHBondContact NH1-O 3.46Å; R59-Q143 WeakPolarHBondContact CB-O 3.39Å; R59-W145 VanDerWaalsContact O-CD1 3.3Å
60	T	85	Confident	76.2	Confident	113 Å²	113	77.3 Å²	77.3	69%	0.693	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.3	-178.5	48.1	0	0	0	0	112.3	V58	V58-T60 VanDerWaalsContact C-N 3.28Å; V58-T60 VanDerWaalsContact CG1-OG1 3.26Å; V58-T60 WeakPolarHBondContact CG1-OG1 3.42Å; V58-T60 PolarHBondContact O-N 2.94Å
61	E	84.7	Confident	74.2	Confident	116 Å²	116	79.6 Å²	79.6	54%	0.542	40%	0.398	S	S	.	.	S	Bend	trans	-97.3	128.4	-178.9	-67.2	-174.2	177.7	0	0	111.3	V58 R59 R123	V58-E61 HydrophobicContact CG1-CB 4.35Å; V58-E61 HydrophobicContact CG1-CG 3.87Å; V58-E61 PolarHBondContact O-N 3.38Å; R59-E61 VanDerWaalsContact C-N 3.3Å; E61-R123 PolarHBondContact O-NH1 3.44Å; E61-R123 PolarHBondContact O-NH2 2.95Å
62	R	88.3	Confident	72.3	Confident	44 Å²	44	82.8 Å²	82.8	17%	0.166	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-61.3	136.1	170.5	-179.4	-178	62.2	89.1	-20.4	109.8	R64 L88 W145 Y212 D216	R62-R64 PolarHBondContact O-N 2.97Å; R62-L88 HydrophobicContact CG-CD2 4.09Å; R62-W145 HydrophobicContact CB-CZ2 4.24Å; R62-W145 HydrophobicContact CG-CH2 4.29Å; R62-W145 HydrophobicContact CG-CZ2 3.85Å; R62-Y212 HydrophobicContact CB-CE1 4.05Å; R62-Y212 HydrophobicContact CG-CE1 4.41Å; R62-D216 IonicContact CZ-OD1 3.86Å; R62-D216 PolarHBondContact NE-O 3.01Å; R62-D216 IonicContact NE-OD1 3.18Å; R62-D216 PolarHBondContact NH1-O 2.95Å; R62-D216 VanDerWaalsContact NH1-O 3.17Å; R62-D216 IonicContact NH2-OD1 3.37Å; R62-D216 PolarHBondContact NH2-OD1 3.12Å
63	P	85.4	Confident	70.3	Confident	1 Å²	1	83.3 Å²	83.3	1%	0.006	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-55.5	127.4	170.2	-14.2	20.7	0	0	0	110.6	L88 D121 W145	P63-L88 HydrophobicContact CB-CD1 4.31Å; P63-L88 HydrophobicContact CB-CD2 4.21Å; P63-L88 HydrophobicContact CG-CD2 3.88Å; P63-D121 HydrophobicContact CB-CB 4.15Å; P63-D121 HydrophobicContact CG-CB 4.08Å; P63-D121 WeakPolarHBondContact CG-OD2 3.49Å; P63-W145 VanDerWaalsContact CD-CD2 3.48Å; P63-W145 VanDerWaalsContact CD-CE3 3.42Å; P63-W145 HydrophobicContact CG-CD2 4.26Å; P63-W145 HydrophobicContact CG-CE3 3.74Å; P63-W145 HydrophobicContact CG-CZ3 4.05Å
64	R	76.5	Confident	68.4	Low	175 Å²	175	90 Å²	90	66%	0.66	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-100	127.1	169.4	-60.8	-172.9	-166.1	-169.4	4.8	107.5	R62 L66	R62-R64 PolarHBondContact O-N 2.97Å; R64-L66 HydrophobicContact CB-CG 4.25Å; R64-L66 PolarHBondContact O-N 3.41Å
65	N	62.5	Low	66.4	Low	5 Å²	5	92.8 Å²	92.8	3%	0.027	48%	0.476	C	S	.	.			trans	-71.1	70.4	175	-92.6	-29.6	0	0	0	110	Q67 Y84 Q229	N65-Q67 PolarHBondContact O-N 2.94Å; N65-Y84 HydrophobicContact CB-CD1 3.99Å; N65-Q229 PolarHBondContact ND2-O 3.42Å
66	L	56	Low	64.3	Low	115 Å²	115	98.1 Å²	98.1	60%	0.602	49%	0.488	S	S	*	.			trans	-78.6	68.7	170.5	-66.8	168.5	0	0	0	108.1	R64 T83	R64-L66 HydrophobicContact CB-CG 4.25Å; R64-L66 PolarHBondContact O-N 3.41Å; L66-T83 HydrophobicContact CD2-CG2 3.53Å
67	Q	55.1	Low	62	Low	47 Å²	47	102 Å²	102	22%	0.22	50%	0.499	C	S	.	.			trans	-117.3	136.4	170.6	-70.4	-156.6	5.8	0	0	111.1	N65 I69 T122 F230	N65-Q67 PolarHBondContact O-N 2.94Å; Q67-I69 PolarHBondContact O-N 3.17Å; Q67-T122 HydrophobicContact CG-CG2 3.86Å; Q67-T122 VanDerWaalsContact NE2-CG2 3.3Å; Q67-F230 HydrophobicContact CB-CE1 4.24Å; Q67-F230 HydrophobicContact CB-CZ 4.3Å
68	M	46.4	Very low	59.6	Low	115 Å²	115	104.5 Å²	104.5	57%	0.567	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	110.7	-178.1	-60.5	-155.1	-65.5	0	0	109.2	K70 Y81	M68-K70 PolarHBondContact O-N 3.33Å; M68-Y81 HydrophobicContact CB-CD1 3.51Å; M68-Y81 HydrophobicContact CB-CE1 4.32Å; M68-Y81 HydrophobicContact CB-CG 3.94Å; M68-Y81 HydrophobicContact CE-CD1 3.71Å; M68-Y81 HydrophobicContact CE-CD2 3.97Å; M68-Y81 HydrophobicContact CE-CE1 3.65Å; M68-Y81 HydrophobicContact CE-CE2 3.96Å; M68-Y81 HydrophobicContact CE-CG 3.84Å; M68-Y81 HydrophobicContact CG-CD1 4.15Å; M68-Y81 HydrophobicContact CG-CG 4.13Å; M68-Y81 WeakPolarHBondContact SD-CB 3.45Å; M68-Y81 HydrophobicContact SD-CD1 3.67Å; M68-Y81 HydrophobicContact SD-CD2 3.64Å; M68-Y81 HydrophobicContact SD-CE1 4.23Å; M68-Y81 HydrophobicContact SD-CE2 4.25Å; M68-Y81 HydrophobicContact SD-CG 3.29Å
69	I	52.5	Low	57.1	Low	55 Å²	55	105.6 Å²	105.6	28%	0.282	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.7	171.4	-61.4	172	0	0	0	107.4	Q67 T71 T82 Y84 F230	Q67-I69 PolarHBondContact O-N 3.17Å; I69-T71 PolarHBondContact O-N 3.36Å; I69-T82 PolarHBondContact N-O 3.26Å; I69-Y84 HydrophobicContact CD1-CD2 3.9Å; I69-Y84 HydrophobicContact CD1-CG 4.31Å; I69-F230 HydrophobicContact CD1-CD1 4.39Å; I69-F230 HydrophobicContact CG1-CD1 4.29Å; I69-F230 HydrophobicContact CG1-CE1 4.03Å
70	K	43.4	Very low	54.8	Low	160 Å²	160	103.7 Å²	103.7	70%	0.696	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	107.9	163.8	-96.7	-174.7	176.4	-179.3	0	107.7	M68 N72	M68-K70 PolarHBondContact O-N 3.33Å; K70-N72 PolarHBondContact O-N 3.1Å
71	T	42.8	Very low	53.1	Low	60 Å²	60	103.7 Å²	103.7	37%	0.368	52%	0.515	S	S	.	.			trans	-77.7	114.8	162.9	50.3	0	0	0	0	107.6	I69 N73 N80	I69-T71 PolarHBondContact O-N 3.36Å; T71-N73 PolarHBondContact O-N 3.22Å; T71-N80 PolarHBondContact OG1-O 2.78Å; T71-N80 VanDerWaalsContact OG1-O 3.07Å
72	N	44.5	Very low	51.6	Low	150 Å²	150	101.4 Å²	101.4	80%	0.802	51%	0.509	S	S	*	.			trans	-73.9	84.2	168.7	-102.7	1.9	0	0	0	107.7	K70	K70-N72 PolarHBondContact O-N 3.1Å
73	N	44.9	Very low	50.3	Low	118 Å²	118	103.1 Å²	103.1	63%	0.631	53%	0.525	S	S	*	.			trans	-91.9	125.2	159.4	-82.3	-8.4	0	0	0	108.1	T71 S75	T71-N73 PolarHBondContact O-N 3.22Å; N73-S75 PolarHBondContact O-N 2.62Å
74	N	47.1	Very low	49.5	Very low	176 Å²	176	105.3 Å²	105.3	94%	0.941	53%	0.533	S	S	*	.	S	Bend	trans	-68.1	54.1	178.4	-75.8	-26.4	0	0	0	112.6
75	S	44.3	Very low	49.4	Very low	69 Å²	69	103.8 Å²	103.8	48%	0.483	54%	0.538	S	S	.	.			trans	-138.4	115	171.2	51.8	0	0	0	0	107.8	N73 E77	N73-S75 PolarHBondContact O-N 2.62Å; S75-E77 PolarHBondContact O-N 2.74Å
76	K	40	Very low	50.4	Low	205 Å²	205	104.6 Å²	104.6	89%	0.891	55%	0.548	S	S	*	.	S	Bend	trans	-45.5	133.6	160.4	-71.6	172.2	175.1	175.8	0	107.3
77	E	38.5	Very low	52	Low	187 Å²	187	100.1 Å²	100.1	87%	0.874	53%	0.526	S	S	*	.	S	Bend	trans	81	61.5	174.8	-55.6	171.5	166	0	0	117	S75	S75-E77 PolarHBondContact O-N 2.74Å
78	S	37.1	Very low	53.8	Low	76 Å²	76	97.9 Å²	97.9	53%	0.531	52%	0.515	S	S	.	.			trans	174.3	107.3	135.4	38.9	0	0	0	0	110.1	N80	S78-N80 VanDerWaalsContact C-N 3.31Å; S78-N80 PolarHBondContact O-N 3.48Å
79	T	37.4	Very low	56	Low	88 Å²	88	92.4 Å²	92.4	54%	0.54	49%	0.488	S	S	.	.			trans	-72.6	88.9	165.4	35	0	0	0	0	108.8	Y81	T79-Y81 WeakPolarHBondContact O-CD2 3.49Å; T79-Y81 PolarHBondContact O-N 3.47Å
80	N	38.2	Very low	58	Low	102 Å²	102	89.8 Å²	89.8	55%	0.545	48%	0.475	S	S	.	.			trans	-77.6	103.9	169.7	-77.1	-15.7	0	0	0	109.1	T71 S78	T71-N80 PolarHBondContact OG1-O 2.78Å; T71-N80 VanDerWaalsContact OG1-O 3.07Å; S78-N80 VanDerWaalsContact C-N 3.31Å; S78-N80 PolarHBondContact O-N 3.48Å
81	Y	49.1	Very low	60.4	Low	114 Å²	114	82.2 Å²	82.2	45%	0.447	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.6	174.9	-61	-67.2	0	0	0	109.8	M68 T79	M68-Y81 HydrophobicContact CB-CD1 3.51Å; M68-Y81 HydrophobicContact CB-CE1 4.32Å; M68-Y81 HydrophobicContact CB-CG 3.94Å; M68-Y81 HydrophobicContact CE-CD1 3.71Å; M68-Y81 HydrophobicContact CE-CD2 3.97Å; M68-Y81 HydrophobicContact CE-CE1 3.65Å; M68-Y81 HydrophobicContact CE-CE2 3.96Å; M68-Y81 HydrophobicContact CE-CG 3.84Å; M68-Y81 HydrophobicContact CG-CD1 4.15Å; M68-Y81 HydrophobicContact CG-CG 4.13Å; M68-Y81 WeakPolarHBondContact SD-CB 3.45Å; M68-Y81 HydrophobicContact SD-CD1 3.67Å; M68-Y81 HydrophobicContact SD-CD2 3.64Å; M68-Y81 HydrophobicContact SD-CE1 4.23Å; M68-Y81 HydrophobicContact SD-CE2 4.25Å; M68-Y81 HydrophobicContact SD-CG 3.29Å; T79-Y81 WeakPolarHBondContact O-CD2 3.49Å; T79-Y81 PolarHBondContact O-N 3.47Å
82	T	52.6	Low	62.9	Low	68 Å²	68	79.4 Å²	79.4	42%	0.417	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.2	171.6	54.1	0	0	0	0	109.6	I69 Y84	I69-T82 PolarHBondContact N-O 3.26Å; T82-Y84 PolarHBondContact O-N 3.04Å
83	T	62.1	Low	65.3	Low	80 Å²	80	72.4 Å²	72.4	49%	0.491	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	118.2	172	-51.7	0	0	0	0	109.4	L66 N85	L66-T83 HydrophobicContact CD2-CG2 3.53Å; T83-N85 PolarHBondContact O-N 3.13Å
84	Y	69.1	Low	67.7	Low	47 Å²	47	66.9 Å²	66.9	18%	0.184	36%	0.357	C	S	.	.			trans	-71.5	110.7	173.5	-179.1	-102.8	0	0	0	110.2	N65 I69 T82 G86 F230	N65-Y84 HydrophobicContact CB-CD1 3.99Å; I69-Y84 HydrophobicContact CD1-CD2 3.9Å; I69-Y84 HydrophobicContact CD1-CG 4.31Å; T82-Y84 PolarHBondContact O-N 3.04Å; Y84-G86 VanDerWaalsContact CE1-CA 3.4Å; Y84-G86 VanDerWaalsContact CZ-CA 3.46Å; Y84-F230 HydrophobicContact CD1-CD1 4.28Å; Y84-F230 HydrophobicContact CD2-CD1 4.31Å; Y84-F230 HydrophobicContact CG-CD1 4.04Å; Y84-F230 PolarHBondContact OH-O 3.45Å
85	N	73.7	Confident	70	Confident	143 Å²	143	60.7 Å²	60.7	77%	0.765	32%	0.322	S	S	*	.			trans	-97.8	21.1	177.3	-76.7	-7.7	0	0	0	113	T83	T83-N85 PolarHBondContact O-N 3.13Å
86	G	83.7	Confident	72.4	Confident	22 Å²	22	57.4 Å²	57.4	23%	0.227	30%	0.299	C	S	.	.	S	Bend	trans	-78.5	176.4	179.1	0	0	0	0	0	113.8	Y84	Y84-G86 VanDerWaalsContact CE1-CA 3.4Å; Y84-G86 VanDerWaalsContact CZ-CA 3.46Å
87	P	90	Very high	75	Confident	21 Å²	21	49.7 Å²	49.7	14%	0.136	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.5	154.8	-179.9	26.6	-34.1	0	0	0	111.7	I89 K214 S215 E218	P87-I89 HydrophobicContact CG-CD1 4.2Å; P87-I89 PolarHBondContact O-N 3.48Å; P87-K214 WeakPolarHBondContact CB-O 3.3Å; P87-S215 WeakPolarHBondContact CA-O 3.46Å; P87-S215 WeakPolarHBondContact CB-O 3.47Å; P87-E218 HydrophobicContact CB-CB 4.15Å; P87-E218 HydrophobicContact CG-CB 4.09Å
88	L	92.1	Very high	77.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	120.2	166.2	177.8	65.9	0	0	0	108.7	R62 P63 V90 W145 D216 L217 E218	R62-L88 HydrophobicContact CG-CD2 4.09Å; P63-L88 HydrophobicContact CB-CD1 4.31Å; P63-L88 HydrophobicContact CB-CD2 4.21Å; P63-L88 HydrophobicContact CG-CD2 3.88Å; L88-V90 HydrophobicContact CD2-CG2 4.4Å; L88-V90 HydrophobicContact CG-CG2 4.31Å; L88-W145 HydrophobicContact CD2-CH2 3.48Å; L88-W145 VanDerWaalsContact CD2-CH2 3.48Å; L88-W145 HydrophobicContact CD2-CZ2 4.44Å; L88-W145 HydrophobicContact CD2-CZ3 3.54Å; L88-D216 PolarHBondContact N-O 2.89Å; L88-L217 WeakPolarHBondContact O-CA 3.43Å; L88-E218 PolarHBondContact O-N 3.37Å
89	I	92.3	Very high	80.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.3	177.3	-53.4	-53.7	0	0	0	109.2	P87 E91 E218 R220 Y227	P87-I89 HydrophobicContact CG-CD1 4.2Å; P87-I89 PolarHBondContact O-N 3.48Å; I89-E91 HydrophobicContact CG2-CG 4.47Å; I89-E218 WeakPolarHBondContact CA-O 3.33Å; I89-E218 HydrophobicContact CD1-CB 3.83Å; I89-R220 HydrophobicContact CG2-CB 4.44Å; I89-R220 HydrophobicContact CG2-CG 4.12Å; I89-Y227 PolarHBondContact O-OH 2.69Å
90	V	94.5	Very high	82.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.7	172.9	-175.4	0	0	0	0	108.4	L88 Q117 R118 W119 P147 L217 E218 F219 R220	L88-V90 HydrophobicContact CD2-CG2 4.4Å; L88-V90 HydrophobicContact CG-CG2 4.31Å; V90-Q117 HydrophobicContact CG1-CB 4.34Å; V90-R118 WeakPolarHBondContact CA-O 3.31Å; V90-W119 HydrophobicContact CG2-CB 4.09Å; V90-P147 HydrophobicContact CG1-CG 4.12Å; V90-P147 HydrophobicContact CG2-CB 4.23Å; V90-P147 HydrophobicContact CG2-CG 4.49Å; V90-L217 HydrophobicContact CG2-CD1 4.03Å; V90-L217 HydrophobicContact CG2-CD2 4.1Å; V90-L217 HydrophobicContact CG2-CG 3.96Å; V90-E218 PolarHBondContact N-O 3.31Å; V90-F219 HydrophobicContact CB-CD1 3.7Å; V90-F219 HydrophobicContact CB-CE1 3.75Å; V90-F219 HydrophobicContact CG1-CD1 3.88Å; V90-F219 HydrophobicContact CG1-CE1 3.65Å; V90-F219 HydrophobicContact CG2-CE1 4.37Å; V90-F219 CarbonylContact O-C 3.45Å; V90-F219 WeakPolarHBondContact O-CA 3.39Å; V90-R220 PolarHBondContact O-N 2.96Å
91	E	94.1	Very high	85.5	Confident	1 Å²	1	36 Å²	36	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.8	175.4	-71.8	179.8	173.9	0	0	110.5	I89 Q117 R118 R220 Y227 D228	I89-E91 HydrophobicContact CG2-CG 4.47Å; E91-Q117 CarbonylContact O-C 3.15Å; E91-Q117 VanDerWaalsContact O-CA 3.29Å; E91-Q117 WeakPolarHBondContact O-CA 3.26Å; E91-R118 HydrophobicContact CB-CB 4.34Å; E91-R118 PolarHBondContact N-O 3.43Å; E91-R118 PolarHBondContact O-N 3.01Å; E91-R118 IonicContact OE2-CZ 2.71Å; E91-R118 VanDerWaalsContact OE2-CZ 3.23Å; E91-R118 IonicContact OE2-NE 3.61Å; E91-R118 PolarHBondContact OE2-NE 3.14Å; E91-R118 IonicContact OE2-NH2 2.91Å; E91-R118 PolarHBondContact OE2-NH2 3.06Å; E91-R220 CarbonylContact C-O 3.53Å; E91-R220 VanDerWaalsContact CA-O 3.27Å; E91-R220 WeakPolarHBondContact CA-O 3.33Å; E91-Y227 HydrophobicContact CG-CD2 4.07Å; E91-Y227 HydrophobicContact CG-CE2 4.14Å; E91-Y227 WeakPolarHBondContact OE2-CD2 3.45Å; E91-D228 PolarHBondContact OE1-N 3.03Å
92	V	95.3	Very high	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.4	-176.2	-177.2	0	0	0	0	109.5	T94 L115 R116 L149 I207 F219 R220 W222 I278	V92-T94 HydrophobicContact CG1-CG2 4.5Å; V92-L115 HydrophobicContact CG1-CD1 3.66Å; V92-R116 CarbonylContact C-O 3.57Å; V92-R116 WeakPolarHBondContact CA-O 3.27Å; V92-L149 HydrophobicContact CG1-CD1 4.29Å; V92-L149 HydrophobicContact CG2-CD1 3.91Å; V92-I207 HydrophobicContact CG1-CD1 4.17Å; V92-F219 HydrophobicContact CG2-CD1 3.61Å; V92-F219 HydrophobicContact CG2-CE1 4.16Å; V92-F219 HydrophobicContact CG2-CG 4.44Å; V92-R220 PolarHBondContact N-O 3.43Å; V92-W222 PolarHBondContact O-N 3.33Å; V92-I278 HydrophobicContact CB-CD1 3.61Å; V92-I278 HydrophobicContact CG1-CD1 4.04Å; V92-I278 HydrophobicContact CG2-CD1 3.79Å
93	N	95	Very high	89.6	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.4	170.8	159.8	-98.5	0	0	0	108.9	R116 W222 M242	N93-R116 HydrophobicContact CB-CB 4.1Å; N93-R116 PolarHBondContact N-O 3.03Å; N93-R116 PolarHBondContact O-N 3.13Å; N93-R116 WeakPolarHBondContact OD1-CD 3.5Å; N93-R116 PolarHBondContact OD1-NH1 3.46Å; N93-W222 HydrophobicContact CB-CB 3.79Å; N93-W222 HydrophobicContact CB-CD2 4.05Å; N93-W222 HydrophobicContact CB-CE3 3.63Å; N93-W222 HydrophobicContact CB-CG 4.17Å; N93-W222 HydrophobicContact CB-CZ3 4.49Å; N93-M242 PolarHBondContact ND2-O 3Å
94	T	95.1	Very high	91.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.4	175.2	55.6	0	0	0	0	109.5	V92 F113 M114 L115 I207 W221 A243 V244 Q245	V92-T94 HydrophobicContact CG1-CG2 4.5Å; T94-F113 HydrophobicContact CG2-CD2 4.32Å; T94-F113 HydrophobicContact CG2-CE2 4.35Å; T94-M114 WeakPolarHBondContact CA-O 3.32Å; T94-L115 HydrophobicContact CG2-CD1 3.9Å; T94-I207 HydrophobicContact CG2-CD1 4.3Å; T94-W221 HydrophobicContact CG2-CZ3 4.48Å; T94-A243 PolarHBondContact N-O 3.28Å; T94-A243 PolarHBondContact OG1-O 3.37Å; T94-V244 CarbonylContact O-C 3.5Å; T94-V244 WeakPolarHBondContact O-CA 3.45Å; T94-V244 WeakPolarHBondContact OG1-CG2 3.22Å; T94-Q245 PolarHBondContact O-N 3.38Å
95	F	95.4	Very high	92.2	Very high	47 Å²	47	27.6 Å²	27.6	21%	0.206	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.8	173.1	-177.6	-86.3	0	0	0	109.3	H97 F113 M114 Q245 R247	F95-H97 AromaticContact CD1-CE1 3.6Å; F95-H97 AromaticContact CD1-ND1 3.9Å; F95-H97 AromaticContact CD1-NE2 3.76Å; F95-H97 AromaticContact CE1-CE1 3.51Å; F95-H97 AromaticContact CE1-ND1 3.56Å; F95-H97 PolarHBondContact O-N 3.43Å; F95-F113 CarbonylContact O-C 3.59Å; F95-F113 WeakPolarHBondContact O-CA 3.35Å; F95-F113 WeakPolarHBondContact O-CB 3.23Å; F95-M114 HydrophobicContact CB-CB 4.25Å; F95-M114 PolarHBondContact N-O 3.48Å; F95-M114 PolarHBondContact O-N 3.18Å; F95-Q245 CarbonylContact C-O 3.52Å; F95-Q245 VanDerWaalsContact CA-O 3.31Å; F95-Q245 WeakPolarHBondContact CA-O 3.39Å; F95-Q245 HydrophobicContact CD2-CB 3.5Å; F95-Q245 HydrophobicContact CE2-CB 4.1Å; F95-Q245 HydrophobicContact CG-CB 4.42Å; F95-R247 HydrophobicContact CZ-CB 4.41Å
96	I	95.5	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.4	-177.5	-50	-55.1	0	0	0	109.7	F99 V111 F113 I205 V244 Q245 I246 R247 F282	I96-F99 HydrophobicContact CG2-CD2 4.19Å; I96-F99 HydrophobicContact CG2-CE2 3.76Å; I96-F99 HydrophobicContact CG2-CZ 4.42Å; I96-V111 HydrophobicContact CD1-CG2 4.12Å; I96-V111 HydrophobicContact CG2-CG2 3.79Å; I96-F113 HydrophobicContact CD1-CB 3.66Å; I96-F113 HydrophobicContact CD1-CG 4.14Å; I96-I205 HydrophobicContact CD1-CD1 4.06Å; I96-V244 HydrophobicContact CG1-CG1 4.14Å; I96-Q245 PolarHBondContact N-O 3.36Å; I96-I246 HydrophobicContact CB-CG1 4.31Å; I96-I246 HydrophobicContact CG1-CG1 4.3Å; I96-R247 PolarHBondContact O-N 3.06Å; I96-F282 HydrophobicContact CD1-CZ 4.08Å; I96-F282 HydrophobicContact CG1-CE1 4.16Å; I96-F282 HydrophobicContact CG1-CZ 4.03Å
97	H	93.6	Very high	93.7	Very high	42 Å²	42	26 Å²	26	19%	0.194	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-47.8	176.3	-74.1	-73.1	0	0	0	112.4	F95 D112 M114	F95-H97 AromaticContact CD1-CE1 3.6Å; F95-H97 AromaticContact CD1-ND1 3.9Å; F95-H97 AromaticContact CD1-NE2 3.76Å; F95-H97 AromaticContact CE1-CE1 3.51Å; F95-H97 AromaticContact CE1-ND1 3.56Å; F95-H97 PolarHBondContact O-N 3.43Å; H97-D112 HydrophobicContact CB-CB 4.48Å; H97-D112 WeakPolarHBondContact CB-O 3.43Å; H97-D112 PolarHBondContact N-O 3.02Å; H97-M114 VanDerWaalsContact NE2-CE 3.31Å; H97-M114 WeakPolarHBondContact NE2-CE 3.17Å; H97-M114 VanDerWaalsContact NE2-CG 3.31Å; H97-M114 WeakPolarHBondContact NE2-CG 3.47Å; H97-M114 PolarHBondContact NE2-SD 2.86Å; H97-M114 VanDerWaalsContact NE2-SD 3.45Å
98	S	93.9	Very high	94	Very high	40 Å²	40	25.1 Å²	25.1	28%	0.28	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	151.6	-175.2	42.9	0	0	0	0	111.5	D112	S98-D112 PolarHBondContact N-O 3.28Å; S98-D112 PolarHBondContact O-N 3.42Å; S98-D112 PolarHBondContact OG-OD2 3.3Å; S98-D112 VanDerWaalsContact OG-OD2 3.04Å
99	F	93.6	Very high	94.2	Very high	13 Å²	13	25.1 Å²	25.1	6%	0.057	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	104.1	161.2	-72.7	-103.4	0	0	0	107.1	I96 F109 T110 L250 I252 F282	I96-F99 HydrophobicContact CG2-CD2 4.19Å; I96-F99 HydrophobicContact CG2-CE2 3.76Å; I96-F99 HydrophobicContact CG2-CZ 4.42Å; F99-F109 AromaticContact CD1-CD2 3.97Å; F99-F109 HydrophobicContact CD1-CD2 3.97Å; F99-F109 AromaticContact CE1-CD2 3.92Å; F99-F109 HydrophobicContact CE1-CD2 3.92Å; F99-F109 HydrophobicContact CE1-CE2 4.05Å; F99-T110 CarbonylContact C-O 3.59Å; F99-L250 HydrophobicContact CD2-CD1 4.34Å; F99-L250 HydrophobicContact CD2-CD2 3.59Å; F99-L250 HydrophobicContact CD2-CG 4.43Å; F99-L250 HydrophobicContact CE2-CD2 3.68Å; F99-I252 HydrophobicContact CB-CD1 4.12Å; F99-I252 HydrophobicContact CB-CG1 4.16Å; F99-I252 HydrophobicContact CB-CG2 4.44Å; F99-I252 HydrophobicContact CD2-CD1 3.75Å; F99-I252 HydrophobicContact CD2-CG1 4.34Å; F99-I252 HydrophobicContact CE2-CD1 4.29Å; F99-I252 HydrophobicContact CG-CD1 3.92Å; F99-I252 HydrophobicContact CG-CG1 4.45Å; F99-F282 HydrophobicContact CE1-CG 4.44Å; F99-F282 HydrophobicContact CZ-CB 4.44Å; F99-F282 AromaticContact CZ-CD1 3.78Å; F99-F282 HydrophobicContact CZ-CD1 3.78Å; F99-F282 HydrophobicContact CZ-CD2 4.31Å; F99-F282 HydrophobicContact CZ-CE1 4.08Å; F99-F282 AromaticContact CZ-CG 3.9Å; F99-F282 HydrophobicContact CZ-CG 3.9Å; F99-F282 HydrophobicContact CZ-CZ 4.49Å
100	S	91.8	Very high	94.4	Very high	58 Å²	58	26.2 Å²	26.2	41%	0.406	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-39	-172.3	-16.1	0	0	0	0	111.7	T110 D112	S100-T110 PolarHBondContact N-O 3.17Å; S100-D112 PolarHBondContact OG-OD1 3.31Å; S100-D112 PolarHBondContact OG-OD2 3.41Å
101	S	92.5	Very high	94.4	Very high	56 Å²	56	26.2 Å²	26.2	39%	0.392	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	146.3	175.7	60.5	0	0	0	0	111.5	F109 T110	S101-F109 CarbonylContact O-C 3.58Å; S101-F109 WeakPolarHBondContact O-CA 3.28Å; S101-T110 PolarHBondContact O-N 3.42Å; S101-T110 WeakPolarHBondContact OG-CB 3.4Å; S101-T110 PolarHBondContact OG-OG1 2.97Å
102	I	94.2	Very high	94.5	Very high	28 Å²	28	27.6 Å²	27.6	14%	0.144	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	108.9	169.8	-60.4	168.5	0	0	0	106.2	F109 M191 I252 F255 L284	I102-F109 HydrophobicContact CB-CB 4.48Å; I102-F109 HydrophobicContact CG1-CB 4.01Å; I102-F109 HydrophobicContact CG2-CB 4.48Å; I102-M191 HydrophobicContact CG2-CE 3.6Å; I102-I252 HydrophobicContact CD1-CG2 3.6Å; I102-F255 HydrophobicContact CB-CD2 4.21Å; I102-F255 HydrophobicContact CB-CE2 3.97Å; I102-F255 HydrophobicContact CD1-CB 4.26Å; I102-F255 HydrophobicContact CD1-CD2 3.63Å; I102-F255 HydrophobicContact CD1-CE2 4.16Å; I102-F255 HydrophobicContact CD1-CG 4.08Å; I102-F255 HydrophobicContact CG2-CD2 4.17Å; I102-F255 HydrophobicContact CG2-CE2 3.57Å; I102-F255 HydrophobicContact CG2-CZ 4.03Å; I102-L284 HydrophobicContact CD1-CD1 3.98Å
103	S	94.3	Very high	94.5	Very high	29 Å²	29	27.6 Å²	27.6	20%	0.203	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	104.2	-179.2	-171	0	0	0	0	109.8	V105 N106 M107 D108	S103-V105 VanDerWaalsContact C-N 3.29Å; S103-V105 PolarHBondContact O-N 3.44Å; S103-N106 PolarHBondContact OG-N 2.93Å; S103-N106 PolarHBondContact OG-ND2 3.32Å; S103-M107 PolarHBondContact O-N 3.41Å; S103-D108 WeakPolarHBondContact CB-OD1 3.42Å; S103-D108 PolarHBondContact N-O 3.25Å; S103-D108 PolarHBondContact O-N 2.97Å; S103-D108 VanDerWaalsContact O-N 3.16Å
104	V	93.1	Very high	94.6	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.042	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-40.3	173.1	-167.4	0	0	0	0	110.1	N106 M107 M191 L193 F255 P343	V104-N106 PolarHBondContact O-N 3.26Å; V104-M107 PolarHBondContact O-N 3.44Å; V104-M191 HydrophobicContact CB-SD 4.34Å; V104-M191 HydrophobicContact CG1-SD 4.1Å; V104-M191 HydrophobicContact CG2-SD 4.3Å; V104-L193 HydrophobicContact CG1-CD1 3.89Å; V104-L193 HydrophobicContact CG1-CD2 3.87Å; V104-F255 HydrophobicContact CG2-CZ 4.33Å; V104-P343 HydrophobicContact CG1-CG 4.38Å; V104-P343 WeakPolarHBondContact O-CD 3.34Å; V104-P343 VanDerWaalsContact O-CG 3.27Å; V104-P343 WeakPolarHBondContact O-CG 3.48Å
105	V	92.9	Very high	94.7	Very high	67 Å²	67	30.1 Å²	30.1	41%	0.406	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-42.8	-179.6	-178.3	0	0	0	0	112.3	S103 Q341	S103-V105 VanDerWaalsContact C-N 3.29Å; S103-V105 PolarHBondContact O-N 3.44Å; V105-Q341 VanDerWaalsContact CG2-O 3.31Å; V105-Q341 WeakPolarHBondContact CG2-O 3.42Å
106	N	94.3	Very high	94.8	Very high	89 Å²	89	30.7 Å²	30.7	48%	0.476	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.3	-178.9	-63.6	-51.9	0	0	0	113.5	S103 V104 D108 K155	S103-N106 PolarHBondContact OG-N 2.93Å; S103-N106 PolarHBondContact OG-ND2 3.32Å; V104-N106 PolarHBondContact O-N 3.26Å; N106-D108 VanDerWaalsContact C-N 3.33Å; N106-D108 VanDerWaalsContact CB-OD2 3.24Å; N106-D108 WeakPolarHBondContact CB-OD2 3.38Å; N106-D108 PolarHBondContact O-N 3.08Å; N106-K155 PolarHBondContact O-NZ 2.84Å
107	M	94.9	Very high	94.8	Very high	42 Å²	42	30.9 Å²	30.9	21%	0.207	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	49.3	-173.6	-61.1	-66.1	-161.2	0	0	111.8	S103 V104 C189 M191 L193 P343 V345	S103-M107 PolarHBondContact O-N 3.41Å; V104-M107 PolarHBondContact O-N 3.44Å; M107-C189 CarbonylContact C-O 3.46Å; M107-C189 WeakPolarHBondContact CB-O 3.49Å; M107-C189 PolarHBondContact O-N 3.3Å; M107-M191 HydrophobicContact CE-CB 4.49Å; M107-M191 HydrophobicContact SD-CB 3.71Å; M107-M191 HydrophobicContact SD-CG 4.14Å; M107-M191 HydrophobicContact SD-SD 4.45Å; M107-L193 HydrophobicContact CE-CD1 4.01Å; M107-P343 HydrophobicContact CE-CB 4.15Å; M107-P343 HydrophobicContact CE-CG 3.46Å; M107-P343 VanDerWaalsContact CE-CG 3.46Å; M107-P343 HydrophobicContact SD-CG 4.19Å; M107-V345 HydrophobicContact CE-CG1 4.2Å
108	D	96.4	Very high	94.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163.2	178.6	52.1	49.9	0	0	0	113.5	S103 N106 K155 K186 L187	S103-D108 WeakPolarHBondContact CB-OD1 3.42Å; S103-D108 PolarHBondContact N-O 3.25Å; S103-D108 PolarHBondContact O-N 2.97Å; S103-D108 VanDerWaalsContact O-N 3.16Å; N106-D108 VanDerWaalsContact C-N 3.33Å; N106-D108 VanDerWaalsContact CB-OD2 3.24Å; N106-D108 WeakPolarHBondContact CB-OD2 3.38Å; N106-D108 PolarHBondContact O-N 3.08Å; D108-K155 HydrophobicContact CB-CD 4.18Å; D108-K155 IonicContact OD2-NZ 3.01Å; D108-K155 PolarHBondContact OD2-NZ 3.08Å; D108-K186 HydrophobicContact CB-CG 4.35Å; D108-K186 WeakPolarHBondContact OD1-CE 3.1Å; D108-K186 IonicContact OD1-NZ 3.83Å; D108-K186 PolarHBondContact OD1-NZ 3.41Å; D108-K186 WeakPolarHBondContact OD2-CE 3.46Å; D108-K186 IonicContact OD2-NZ 3.23Å; D108-K186 PolarHBondContact OD2-NZ 3.03Å; D108-K186 VanDerWaalsContact OD2-NZ 3.14Å; D108-L187 CarbonylContact C-O 3.4Å; D108-L187 WeakPolarHBondContact CA-O 3.43Å; D108-L187 WeakPolarHBondContact CB-O 3.47Å
109	F	95.9	Very high	94.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.2	173.7	71	-76.1	0	0	0	110.6	F99 S101 I102 V111 K186 L187 C189 C203 T204 I205	F99-F109 AromaticContact CD1-CD2 3.97Å; F99-F109 HydrophobicContact CD1-CD2 3.97Å; F99-F109 AromaticContact CE1-CD2 3.92Å; F99-F109 HydrophobicContact CE1-CD2 3.92Å; F99-F109 HydrophobicContact CE1-CE2 4.05Å; S101-F109 CarbonylContact O-C 3.58Å; S101-F109 WeakPolarHBondContact O-CA 3.28Å; I102-F109 HydrophobicContact CB-CB 4.48Å; I102-F109 HydrophobicContact CG1-CB 4.01Å; I102-F109 HydrophobicContact CG2-CB 4.48Å; F109-V111 HydrophobicContact CD2-CB 4.2Å; F109-V111 HydrophobicContact CD2-CG1 4.37Å; F109-V111 HydrophobicContact CE2-CB 4.1Å; F109-V111 HydrophobicContact CE2-CG1 3.93Å; F109-K186 CarbonylContact O-C 3.49Å; F109-K186 WeakPolarHBondContact O-CA 3.24Å; F109-L187 HydrophobicContact CD1-CB 4.03Å; F109-L187 WeakPolarHBondContact CD1-O 3.19Å; F109-L187 HydrophobicContact CE1-CB 3.49Å; F109-L187 VanDerWaalsContact CE1-CB 3.49Å; F109-L187 HydrophobicContact CE1-CD1 4.19Å; F109-L187 HydrophobicContact CE2-CB 4.33Å; F109-L187 HydrophobicContact CE2-CD1 3.79Å; F109-L187 HydrophobicContact CZ-CB 3.68Å; F109-L187 HydrophobicContact CZ-CD1 3.47Å; F109-L187 VanDerWaalsContact CZ-CD1 3.47Å; F109-L187 HydrophobicContact CZ-CG 4.23Å; F109-L187 PolarHBondContact N-O 3.32Å; F109-L187 PolarHBondContact O-N 3.03Å; F109-C189 HydrophobicContact CD1-CB 3.72Å; F109-C189 HydrophobicContact CE1-CB 4.08Å; F109-C203 HydrophobicContact CD1-CB 3.86Å; F109-C203 HydrophobicContact CE1-CB 3.67Å; F109-C203 HydrophobicContact CG-CB 4.49Å; F109-C203 HydrophobicContact CZ-CB 4.17Å; F109-T204 WeakPolarHBondContact CZ-O 3.43Å; F109-I205 HydrophobicContact CE2-CG1 4.48Å; F109-I205 HydrophobicContact CZ-CG1 4.21Å
110	T	96.1	Very high	94.8	Very high	24 Å²	24	28.1 Å²	28.1	15%	0.147	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.8	175.7	-49.2	0	0	0	0	108.6	F99 S100 S101 M185	F99-T110 CarbonylContact C-O 3.59Å; S100-T110 PolarHBondContact N-O 3.17Å; S101-T110 PolarHBondContact O-N 3.42Å; S101-T110 WeakPolarHBondContact OG-CB 3.4Å; S101-T110 PolarHBondContact OG-OG1 2.97Å; T110-M185 WeakPolarHBondContact CA-O 3.43Å
111	V	95.6	Very high	94.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.5	-178.9	61.1	0	0	0	0	110.1	I96 F109 F113 M185 L187 I205	I96-V111 HydrophobicContact CD1-CG2 4.12Å; I96-V111 HydrophobicContact CG2-CG2 3.79Å; F109-V111 HydrophobicContact CD2-CB 4.2Å; F109-V111 HydrophobicContact CD2-CG1 4.37Å; F109-V111 HydrophobicContact CE2-CB 4.1Å; F109-V111 HydrophobicContact CE2-CG1 3.93Å; V111-F113 HydrophobicContact CB-CD1 4.45Å; V111-F113 HydrophobicContact CG1-CD1 3.81Å; V111-F113 HydrophobicContact CG1-CE1 3.85Å; V111-F113 HydrophobicContact CG2-CD1 4.11Å; V111-M185 PolarHBondContact N-O 3.26Å; V111-M185 PolarHBondContact O-N 3.08Å; V111-L187 HydrophobicContact CG1-CD1 3.76Å; V111-I205 HydrophobicContact CG1-CD1 4.34Å
112	D	95.4	Very high	94.6	Very high	29 Å²	29	24.6 Å²	24.6	16%	0.155	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.7	174.1	-55.4	-47.1	0	0	0	108.4	H97 S98 S100 S184	H97-D112 HydrophobicContact CB-CB 4.48Å; H97-D112 WeakPolarHBondContact CB-O 3.43Å; H97-D112 PolarHBondContact N-O 3.02Å; S98-D112 PolarHBondContact N-O 3.28Å; S98-D112 PolarHBondContact O-N 3.42Å; S98-D112 PolarHBondContact OG-OD2 3.3Å; S98-D112 VanDerWaalsContact OG-OD2 3.04Å; S100-D112 PolarHBondContact OG-OD1 3.31Å; S100-D112 PolarHBondContact OG-OD2 3.41Å; D112-S184 VanDerWaalsContact OD1-CB 3.24Å; D112-S184 WeakPolarHBondContact OD1-CB 3.45Å; D112-S184 PolarHBondContact OD1-OG 2.94Å
113	F	96.1	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	158.3	-175.7	65.1	-77.7	0	0	0	112.2	T94 F95 I96 V111 L115 F151 I183 M185	T94-F113 HydrophobicContact CG2-CD2 4.32Å; T94-F113 HydrophobicContact CG2-CE2 4.35Å; F95-F113 CarbonylContact O-C 3.59Å; F95-F113 WeakPolarHBondContact O-CA 3.35Å; F95-F113 WeakPolarHBondContact O-CB 3.23Å; I96-F113 HydrophobicContact CD1-CB 3.66Å; I96-F113 HydrophobicContact CD1-CG 4.14Å; V111-F113 HydrophobicContact CB-CD1 4.45Å; V111-F113 HydrophobicContact CG1-CD1 3.81Å; V111-F113 HydrophobicContact CG1-CE1 3.85Å; V111-F113 HydrophobicContact CG2-CD1 4.11Å; F113-L115 HydrophobicContact CD2-CB 4.33Å; F113-L115 HydrophobicContact CE2-CB 3.98Å; F113-L115 HydrophobicContact CE2-CD1 4.33Å; F113-F151 HydrophobicContact CE2-CE1 4.13Å; F113-F151 AromaticContact CE2-CZ 3.86Å; F113-F151 HydrophobicContact CE2-CZ 3.86Å; F113-F151 AromaticContact CZ-CE1 3.66Å; F113-F151 HydrophobicContact CZ-CE1 3.66Å; F113-F151 HydrophobicContact CZ-CE2 4.39Å; F113-F151 AromaticContact CZ-CZ 3.49Å; F113-F151 HydrophobicContact CZ-CZ 3.49Å; F113-F151 VanDerWaalsContact CZ-CZ 3.49Å; F113-I183 HydrophobicContact CE1-CB 4.37Å; F113-I183 HydrophobicContact CE2-CD1 4.33Å; F113-I183 HydrophobicContact CZ-CB 4.31Å; F113-I183 HydrophobicContact CZ-CD1 4.33Å; F113-I183 PolarHBondContact N-O 3.26Å; F113-I183 PolarHBondContact O-N 3.44Å; F113-I183 VanDerWaalsContact O-O 3.12Å; F113-M185 HydrophobicContact CE1-CB 3.87Å; F113-M185 HydrophobicContact CZ-CB 4.49Å
114	M	96.6	Very high	94.1	Very high	57 Å²	57	25.3 Å²	25.3	28%	0.281	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.2	164.7	-71.2	169.2	-179	0	0	108.8	T94 F95 H97 Q181	T94-M114 WeakPolarHBondContact CA-O 3.32Å; F95-M114 HydrophobicContact CB-CB 4.25Å; F95-M114 PolarHBondContact N-O 3.48Å; F95-M114 PolarHBondContact O-N 3.18Å; H97-M114 VanDerWaalsContact NE2-CE 3.31Å; H97-M114 WeakPolarHBondContact NE2-CE 3.17Å; H97-M114 VanDerWaalsContact NE2-CG 3.31Å; H97-M114 WeakPolarHBondContact NE2-CG 3.47Å; H97-M114 PolarHBondContact NE2-SD 2.86Å; H97-M114 VanDerWaalsContact NE2-SD 3.45Å; M114-Q181 CarbonylContact C-O 3.5Å; M114-Q181 WeakPolarHBondContact CA-O 3.44Å
115	L	97.1	Very high	93.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.6	170.5	-179.2	69.7	0	0	0	108.4	V92 T94 F113 Q117 L149 F151 S180 Q181 I183 I207	V92-L115 HydrophobicContact CG1-CD1 3.66Å; T94-L115 HydrophobicContact CG2-CD1 3.9Å; F113-L115 HydrophobicContact CD2-CB 4.33Å; F113-L115 HydrophobicContact CE2-CB 3.98Å; F113-L115 HydrophobicContact CE2-CD1 4.33Å; L115-Q117 HydrophobicContact CG-CG 4.33Å; L115-L149 HydrophobicContact CD1-CD1 4.33Å; L115-L149 HydrophobicContact CD2-CD1 4.08Å; L115-L149 HydrophobicContact CD2-CD2 3.79Å; L115-F151 HydrophobicContact CD1-CZ 4.49Å; L115-F151 HydrophobicContact CD2-CE2 4.39Å; L115-F151 HydrophobicContact CD2-CZ 4.05Å; L115-S180 CarbonylContact O-C 3.55Å; L115-S180 WeakPolarHBondContact O-CA 3.39Å; L115-Q181 HydrophobicContact CB-CG 4.16Å; L115-Q181 PolarHBondContact N-O 3.15Å; L115-Q181 PolarHBondContact O-N 3.42Å; L115-I183 HydrophobicContact CB-CD1 3.61Å; L115-I183 HydrophobicContact CB-CG1 4.33Å; L115-I183 HydrophobicContact CD2-CD1 3.66Å; L115-I183 HydrophobicContact CG-CD1 4.29Å; L115-I207 HydrophobicContact CD1-CD1 4.36Å
116	R	96.5	Very high	93.4	Very high	59 Å²	59	27.6 Å²	27.6	22%	0.223	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.3	174.3	-54.9	-173.3	-174.1	110.5	-2.6	109.7	V92 N93 F179 W222	V92-R116 CarbonylContact C-O 3.57Å; V92-R116 WeakPolarHBondContact CA-O 3.27Å; N93-R116 HydrophobicContact CB-CB 4.1Å; N93-R116 PolarHBondContact N-O 3.03Å; N93-R116 PolarHBondContact O-N 3.13Å; N93-R116 WeakPolarHBondContact OD1-CD 3.5Å; N93-R116 PolarHBondContact OD1-NH1 3.46Å; R116-F179 CarbonylContact C-O 3.5Å; R116-F179 VanDerWaalsContact CA-O 3.28Å; R116-F179 WeakPolarHBondContact CA-O 3.34Å; R116-W222 HydrophobicContact CB-CE3 4.49Å; R116-W222 HydrophobicContact CB-CZ3 4.05Å
117	Q	96.1	Very high	92.6	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.023	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.5	179.8	-59.2	-179.4	67.4	0	0	108.3	V90 E91 L115 W119 L149 T178 F179	V90-Q117 HydrophobicContact CG1-CB 4.34Å; E91-Q117 CarbonylContact O-C 3.15Å; E91-Q117 VanDerWaalsContact O-CA 3.29Å; E91-Q117 WeakPolarHBondContact O-CA 3.26Å; L115-Q117 HydrophobicContact CG-CG 4.33Å; Q117-W119 HydrophobicContact CB-CE3 4.33Å; Q117-W119 HydrophobicContact CB-CZ3 4.08Å; Q117-L149 HydrophobicContact CG-CD1 3.97Å; Q117-T178 CarbonylContact O-C 3.6Å; Q117-T178 WeakPolarHBondContact O-CA 3.32Å; Q117-F179 PolarHBondContact N-O 3.2Å; Q117-F179 PolarHBondContact O-N 3.13Å
118	R	94.2	Very high	91.5	Very high	29 Å²	29	28.5 Å²	28.5	11%	0.109	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126	179.9	-178.1	168.9	73.7	166.6	-1	110.6	V90 E91 L176 I177 W222 G226 Y227	V90-R118 WeakPolarHBondContact CA-O 3.31Å; E91-R118 HydrophobicContact CB-CB 4.34Å; E91-R118 PolarHBondContact N-O 3.43Å; E91-R118 PolarHBondContact O-N 3.01Å; E91-R118 IonicContact OE2-CZ 2.71Å; E91-R118 VanDerWaalsContact OE2-CZ 3.23Å; E91-R118 IonicContact OE2-NE 3.61Å; E91-R118 PolarHBondContact OE2-NE 3.14Å; E91-R118 IonicContact OE2-NH2 2.91Å; E91-R118 PolarHBondContact OE2-NH2 3.06Å; R118-L176 HydrophobicContact CG-CD1 3.63Å; R118-L176 HydrophobicContact CG-CD2 4.3Å; R118-L176 HydrophobicContact CG-CG 3.93Å; R118-I177 VanDerWaalsContact CA-O 3.25Å; R118-I177 WeakPolarHBondContact CA-O 3.44Å; R118-W222 HydrophobicContact CB-CE3 4.13Å; R118-W222 HydrophobicContact CB-CH2 3.89Å; R118-W222 HydrophobicContact CB-CZ3 3.65Å; R118-W222 HydrophobicContact CG-CH2 4.34Å; R118-W222 VanDerWaalsContact CZ-CE2 3.46Å; R118-W222 VanDerWaalsContact CZ-CZ2 3.49Å; R118-G226 PolarHBondContact NH2-O 2.57Å; R118-Y227 HydrophobicContact CG-CD2 3.95Å; R118-Y227 HydrophobicContact CG-CE2 4.3Å
119	W	94.4	Very high	90.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.7	176.4	70	94.9	0	0	0	110.5	V90 Q117 W145 P147 I177 F179	V90-W119 HydrophobicContact CG2-CB 4.09Å; Q117-W119 HydrophobicContact CB-CE3 4.33Å; Q117-W119 HydrophobicContact CB-CZ3 4.08Å; W119-W145 HydrophobicContact CG-CZ3 4.4Å; W119-W145 VanDerWaalsContact CZ2-O 3.27Å; W119-W145 WeakPolarHBondContact CZ2-O 3.33Å; W119-W145 AromaticContact NE1-CE3 3.83Å; W119-W145 AromaticContact NE1-CZ3 3.94Å; W119-P147 HydrophobicContact CE3-CG 4.08Å; W119-P147 HydrophobicContact CZ3-CG 4.11Å; W119-I177 HydrophobicContact CD2-CB 4.29Å; W119-I177 HydrophobicContact CH2-CB 4.38Å; W119-I177 HydrophobicContact CH2-CG2 3.62Å; W119-I177 HydrophobicContact CZ2-CB 3.96Å; W119-I177 HydrophobicContact CZ2-CD1 4.02Å; W119-I177 HydrophobicContact CZ2-CG2 3.53Å; W119-I177 HydrophobicContact CZ3-CG2 4.17Å; W119-I177 PolarHBondContact N-O 3.45Å; W119-I177 VanDerWaalsContact N-O 3.08Å; W119-I177 PolarHBondContact O-N 2.96Å; W119-F179 HydrophobicContact CH2-CB 3.78Å; W119-F179 HydrophobicContact CH2-CG 4.47Å; W119-F179 HydrophobicContact CZ3-CB 3.65Å
120	L	92.9	Very high	89	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.8	175.3	-176.2	72	0	0	0	110.2	T122 N174 L176 Y227 Q229	L120-T122 HydrophobicContact CD2-CG2 4.43Å; L120-N174 WeakPolarHBondContact CD1-O 3.49Å; L120-L176 HydrophobicContact CB-CD1 4.3Å; L120-L176 HydrophobicContact CD1-CB 4.22Å; L120-Y227 HydrophobicContact CB-CD1 4.44Å; L120-Y227 HydrophobicContact CB-CE1 3.52Å; L120-Y227 PolarHBondContact N-OH 2.86Å; L120-Q229 HydrophobicContact CD2-CG 3.55Å; L120-Q229 VanDerWaalsContact CD2-NE2 3.33Å
121	D	92.2	Very high	88.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.			trans	-121.2	106.9	168.4	-167.4	-19.7	0	0	0	110.2	Y57 P63 R123 L124 G175 I177	Y57-D121 VanDerWaalsContact CE2-OD2 3.27Å; Y57-D121 WeakPolarHBondContact CE2-OD2 3.49Å; Y57-D121 PolarHBondContact OH-OD2 3.04Å; P63-D121 HydrophobicContact CB-CB 4.15Å; P63-D121 HydrophobicContact CG-CB 4.08Å; P63-D121 WeakPolarHBondContact CG-OD2 3.49Å; D121-R123 PolarHBondContact O-N 3.38Å; D121-R123 VanDerWaalsContact OD1-CB 3.25Å; D121-R123 WeakPolarHBondContact OD1-CB 3.44Å; D121-R123 WeakPolarHBondContact OD1-CG 3.45Å; D121-R123 IonicContact OD1-CZ 3.85Å; D121-R123 PolarHBondContact OD1-N 3.03Å; D121-R123 IonicContact OD1-NE 3.63Å; D121-R123 PolarHBondContact OD1-NE 3.24Å; D121-R123 IonicContact OD1-NH2 3.04Å; D121-R123 IonicContact OD2-CZ 2.76Å; D121-R123 IonicContact OD2-NE 3.84Å; D121-R123 PolarHBondContact OD2-NE 2.93Å; D121-R123 IonicContact OD2-NH2 2.96Å; D121-R123 PolarHBondContact OD2-NH2 3.35Å; D121-L124 PolarHBondContact O-N 3.39Å; D121-L124 VanDerWaalsContact O-N 3.15Å; D121-G175 PolarHBondContact N-O 3.28Å; D121-G175 WeakPolarHBondContact O-CA 3.32Å; D121-I177 HydrophobicContact CB-CD1 3.89Å
122	T	87.8	Confident	87.4	Confident	39 Å²	39	46 Å²	46	24%	0.239	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-67	-17.1	-178.6	56	0	0	0	0	113.6	Q67 L120 L124 K125	Q67-T122 HydrophobicContact CG-CG2 3.86Å; Q67-T122 VanDerWaalsContact NE2-CG2 3.3Å; L120-T122 HydrophobicContact CD2-CG2 4.43Å; T122-L124 PolarHBondContact O-N 3.47Å; T122-K125 VanDerWaalsContact O-CB 3.31Å; T122-K125 WeakPolarHBondContact O-CB 3.11Å; T122-K125 PolarHBondContact O-N 3.19Å
123	R	88.8	Confident	86.5	Confident	69 Å²	69	50.5 Å²	50.5	26%	0.26	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-70.7	-20.7	175.9	-58.8	173.4	-68.2	-175.6	0	112.4	Y57 V58 E61 D121	Y57-R123 HydrophobicContact CD2-CB 4.06Å; Y57-R123 HydrophobicContact CE2-CB 4.06Å; Y57-R123 PolarHBondContact OH-NH2 2.89Å; V58-R123 PolarHBondContact O-NH1 3.2Å; E61-R123 PolarHBondContact O-NH1 3.44Å; E61-R123 PolarHBondContact O-NH2 2.95Å; D121-R123 PolarHBondContact O-N 3.38Å; D121-R123 VanDerWaalsContact OD1-CB 3.25Å; D121-R123 WeakPolarHBondContact OD1-CB 3.44Å; D121-R123 WeakPolarHBondContact OD1-CG 3.45Å; D121-R123 IonicContact OD1-CZ 3.85Å; D121-R123 PolarHBondContact OD1-N 3.03Å; D121-R123 IonicContact OD1-NE 3.63Å; D121-R123 PolarHBondContact OD1-NE 3.24Å; D121-R123 IonicContact OD1-NH2 3.04Å; D121-R123 IonicContact OD2-CZ 2.76Å; D121-R123 IonicContact OD2-NE 3.84Å; D121-R123 PolarHBondContact OD2-NE 2.93Å; D121-R123 IonicContact OD2-NH2 2.96Å; D121-R123 PolarHBondContact OD2-NH2 3.35Å
124	L	88.7	Confident	85.9	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-106.6	21.6	178.9	-67	169.9	0	0	0	111.9	L53 L54 Y57 D121 T122 F126 I144 L171 I177	L53-L124 HydrophobicContact CB-CD2 4.45Å; L54-L124 HydrophobicContact CD2-CD2 4.39Å; Y57-L124 HydrophobicContact CD2-CD1 4.08Å; Y57-L124 HydrophobicContact CD2-CD2 3.76Å; Y57-L124 HydrophobicContact CD2-CG 3.76Å; Y57-L124 HydrophobicContact CE2-CD1 3.61Å; Y57-L124 HydrophobicContact CE2-CD2 4.16Å; Y57-L124 HydrophobicContact CE2-CG 3.66Å; Y57-L124 HydrophobicContact CG-CD2 4.48Å; D121-L124 PolarHBondContact O-N 3.39Å; D121-L124 VanDerWaalsContact O-N 3.15Å; T122-L124 PolarHBondContact O-N 3.47Å; L124-F126 WeakPolarHBondContact O-CD2 3.31Å; L124-I144 HydrophobicContact CD1-CG2 4.08Å; L124-L171 HydrophobicContact CB-CD1 4.13Å; L124-L171 HydrophobicContact CB-CD2 4.3Å; L124-I177 HydrophobicContact CD1-CD1 3.64Å
125	K	87.4	Confident	85.6	Confident	112 Å²	112	56.4 Å²	56.4	49%	0.487	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-79.6	132.4	175.2	-177.6	179.3	177.1	-175.9	0	110.1	T122	T122-K125 VanDerWaalsContact O-CB 3.31Å; T122-K125 WeakPolarHBondContact O-CB 3.11Å; T122-K125 PolarHBondContact O-N 3.19Å
126	F	83.9	Confident	85.4	Confident	9 Å²	9	60.2 Å²	60.2	4%	0.039	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-89.6	157.3	177.8	-74.7	-97.2	0	0	0	111.9	L46 E49 I50 L53 L124 F132 L171 S173	L46-F126 HydrophobicContact CD1-CD1 4.05Å; L46-F126 HydrophobicContact CD1-CE1 4.05Å; E49-F126 HydrophobicContact CB-CE1 4.29Å; E49-F126 HydrophobicContact CG-CD1 4.01Å; E49-F126 HydrophobicContact CG-CE1 4.01Å; I50-F126 HydrophobicContact CB-CZ 4.37Å; I50-F126 HydrophobicContact CG1-CE1 3.65Å; I50-F126 HydrophobicContact CG1-CZ 3.48Å; I50-F126 VanDerWaalsContact CG1-CZ 3.48Å; L53-F126 HydrophobicContact CD1-CD1 4.08Å; L53-F126 HydrophobicContact CD1-CD2 4.32Å; L53-F126 HydrophobicContact CD1-CE1 3.64Å; L53-F126 HydrophobicContact CD1-CE2 3.89Å; L53-F126 HydrophobicContact CD1-CG 4.4Å; L53-F126 HydrophobicContact CD1-CZ 3.52Å; L124-F126 WeakPolarHBondContact O-CD2 3.31Å; F126-F132 HydrophobicContact CB-CE1 4.16Å; F126-F132 HydrophobicContact CD1-CE1 4.11Å; F126-F132 HydrophobicContact CD1-CZ 4.44Å; F126-F132 AromaticContact CD2-CE1 3.8Å; F126-F132 HydrophobicContact CD2-CE1 3.8Å; F126-F132 AromaticContact CD2-CZ 3.44Å; F126-F132 HydrophobicContact CD2-CZ 3.44Å; F126-F132 VanDerWaalsContact CD2-CZ 3.44Å; F126-F132 HydrophobicContact CE2-CE1 4.28Å; F126-F132 AromaticContact CE2-CZ 3.68Å; F126-F132 HydrophobicContact CE2-CZ 3.68Å; F126-F132 AromaticContact CG-CE1 3.71Å; F126-F132 HydrophobicContact CG-CE1 3.71Å; F126-F132 AromaticContact CG-CZ 3.88Å; F126-F132 HydrophobicContact CG-CZ 3.88Å; F126-F132 HydrophobicContact CZ-CZ 4.28Å; F126-L171 HydrophobicContact CE2-CD2 3.58Å; F126-L171 HydrophobicContact CE2-CG 4.34Å; F126-L171 HydrophobicContact CZ-CD2 4.34Å; F126-S173 PolarHBondContact N-O 3.3Å
127	S	77.7	Confident	85.2	Confident	66 Å²	66	57.5 Å²	57.5	46%	0.462	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-56.2	144.7	171.5	-57.6	0	0	0	0	110.6	E49 D129 H130	E49-S127 PolarHBondContact OE1-N 3.47Å; E49-S127 PolarHBondContact OE1-OG 2.94Å; E49-S127 VanDerWaalsContact OE1-OG 3.05Å; S127-D129 PolarHBondContact O-N 3.37Å; S127-H130 PolarHBondContact O-N 3.31Å
128	A	71.2	Confident	85	Confident	84 Å²	84	58.5 Å²	58.5	69%	0.694	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.9	-175.2	0	0	0	0	0	114	H130	A128-H130 PolarHBondContact O-N 2.88Å
129	D	71.5	Confident	84.8	Confident	141 Å²	141	63.5 Å²	63.5	75%	0.754	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-16	176	-63.2	-20.7	0	0	0	113.4	S127	S127-D129 PolarHBondContact O-N 3.37Å
130	H	69.7	Low	84.7	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.153	33%	0.33	C	S	.	.			trans	-116.6	89.7	179.3	-68.4	-7.3	0	0	0	110.1	L46 E49 S127 A128 F132 S173	L46-H130 HydrophobicContact CD1-CB 4.22Å; E49-H130 IonicContact OE2-CD2 3.8Å; E49-H130 PolarHBondContact OE2-CD2 3.24Å; E49-H130 IonicContact OE2-NE2 3.68Å; S127-H130 PolarHBondContact O-N 3.31Å; A128-H130 PolarHBondContact O-N 2.88Å; H130-F132 HydrophobicContact CB-CD1 4.47Å; H130-S173 VanDerWaalsContact O-CB 3.31Å; H130-S173 WeakPolarHBondContact O-CB 3.47Å
131	K	76.4	Confident	84.6	Confident	187 Å²	187	65.8 Å²	65.8	81%	0.813	34%	0.34	S	S	*	.			trans	-93.6	105.3	172.9	-66.9	-176.6	-178	177.7	0	109.5
132	F	81.1	Confident	84.6	Confident	33 Å²	33	71.1 Å²	71.1	15%	0.145	37%	0.368	C	S	.	.			trans	-130.3	149.1	170.2	59.3	-94	0	0	0	109.7	L46 F126 H130 L135 L171 S173	L46-F132 HydrophobicContact CD1-CD1 4.25Å; L46-F132 HydrophobicContact CD1-CE1 3.93Å; F126-F132 HydrophobicContact CB-CE1 4.16Å; F126-F132 HydrophobicContact CD1-CE1 4.11Å; F126-F132 HydrophobicContact CD1-CZ 4.44Å; F126-F132 AromaticContact CD2-CE1 3.8Å; F126-F132 HydrophobicContact CD2-CE1 3.8Å; F126-F132 AromaticContact CD2-CZ 3.44Å; F126-F132 HydrophobicContact CD2-CZ 3.44Å; F126-F132 VanDerWaalsContact CD2-CZ 3.44Å; F126-F132 HydrophobicContact CE2-CE1 4.28Å; F126-F132 AromaticContact CE2-CZ 3.68Å; F126-F132 HydrophobicContact CE2-CZ 3.68Å; F126-F132 AromaticContact CG-CE1 3.71Å; F126-F132 HydrophobicContact CG-CE1 3.71Å; F126-F132 AromaticContact CG-CZ 3.88Å; F126-F132 HydrophobicContact CG-CZ 3.88Å; F126-F132 HydrophobicContact CZ-CZ 4.28Å; H130-F132 HydrophobicContact CB-CD1 4.47Å; F132-L135 HydrophobicContact CD2-CB 3.52Å; F132-L135 HydrophobicContact CE2-CB 3.41Å; F132-L135 VanDerWaalsContact CE2-CB 3.41Å; F132-L135 HydrophobicContact CE2-CD2 4.11Å; F132-L135 HydrophobicContact CE2-CG 4.39Å; F132-L135 HydrophobicContact CG-CB 4.44Å; F132-L135 HydrophobicContact CZ-CB 4.26Å; F132-L135 HydrophobicContact CZ-CD2 4.15Å; F132-L171 VanDerWaalsContact CE2-O 3.26Å; F132-L171 WeakPolarHBondContact CE2-O 3.23Å; F132-S173 PolarHBondContact O-N 3.13Å
133	T	76.8	Confident	84.7	Confident	125 Å²	125	73.3 Å²	73.3	77%	0.767	38%	0.376	S	S	*	.	S	Bend	trans	-112.2	121.9	172.1	54.8	0	0	0	0	107.3
134	K	83.8	Confident	84.9	Confident	143 Å²	143	70.2 Å²	70.2	62%	0.622	37%	0.365	S	S	*	.			trans	63.2	63.2	174.8	-52	177.3	-179	176.8	0	115.9	P136 W170 D172	K134-P136 WeakPolarHBondContact O-CD 3.46Å; K134-W170 HydrophobicContact CB-CB 4.15Å; K134-W170 HydrophobicContact CB-CG 4.27Å; K134-D172 PolarHBondContact N-OD1 3.08Å
135	L	90.1	Very high	85.2	Confident	38 Å²	38	70.5 Å²	70.5	20%	0.199	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.2	165.7	179.3	76	0	0	0	110.2	I50 F132 I137 W170 L171	I50-L135 HydrophobicContact CD1-CD2 3.45Å; I50-L135 VanDerWaalsContact CD1-CD2 3.45Å; I50-L135 HydrophobicContact CG1-CD2 4.08Å; F132-L135 HydrophobicContact CD2-CB 3.52Å; F132-L135 HydrophobicContact CE2-CB 3.41Å; F132-L135 VanDerWaalsContact CE2-CB 3.41Å; F132-L135 HydrophobicContact CE2-CD2 4.11Å; F132-L135 HydrophobicContact CE2-CG 4.39Å; F132-L135 HydrophobicContact CG-CB 4.44Å; F132-L135 HydrophobicContact CZ-CB 4.26Å; F132-L135 HydrophobicContact CZ-CD2 4.15Å; L135-I137 HydrophobicContact CD2-CG2 3.82Å; L135-I137 HydrophobicContact CG-CG2 4.07Å; L135-I137 PolarHBondContact O-N 3.02Å; L135-W170 CarbonylContact O-C 3.59Å; L135-W170 WeakPolarHBondContact O-CA 3.47Å; L135-L171 PolarHBondContact N-O 3.41Å; L135-L171 PolarHBondContact O-N 2.62Å
136	P	92.5	Very high	85.6	Confident	80 Å²	80	67.4 Å²	67.4	52%	0.519	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	116.6	176.9	29.7	-33.1	0	0	0	111	K134 I169	K134-P136 WeakPolarHBondContact O-CD 3.46Å; P136-I169 WeakPolarHBondContact CA-O 3.38Å
137	I	91.7	Very high	86.1	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.015	35%	0.354	C	S	.	.			trans	-119	28	179.5	59.4	156.1	0	0	0	112	L135 Y139 A140 I144 I169 L171	L135-I137 HydrophobicContact CD2-CG2 3.82Å; L135-I137 HydrophobicContact CG-CG2 4.07Å; L135-I137 PolarHBondContact O-N 3.02Å; I137-Y139 HydrophobicContact CB-CE1 4.45Å; I137-Y139 PolarHBondContact O-N 3.41Å; I137-Y139 VanDerWaalsContact O-N 3.08Å; I137-A140 WeakPolarHBondContact O-CB 3.21Å; I137-A140 PolarHBondContact O-N 3.32Å; I137-I144 HydrophobicContact CD1-CD1 4.45Å; I137-I169 HydrophobicContact CD1-CG2 3.8Å; I137-I169 HydrophobicContact CG1-CB 4.08Å; I137-I169 HydrophobicContact CG1-CG2 3.56Å; I137-I169 PolarHBondContact N-O 2.61Å; I137-L171 HydrophobicContact CD1-CB 3.91Å; I137-L171 HydrophobicContact CD1-CD2 4.08Å; I137-L171 HydrophobicContact CG1-CB 4.07Å; I137-L171 HydrophobicContact CG2-CB 4.35Å
138	S	92.4	Very high	86.9	Confident	26 Å²	26	66.3 Å²	66.3	18%	0.182	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-55.1	-30.1	-177.3	-57	0	0	0	0	113.4	A140 K141 L168 I169	S138-A140 PolarHBondContact O-N 2.96Å; S138-K141 WeakPolarHBondContact O-CB 3.31Å; S138-K141 PolarHBondContact O-N 3.46Å; S138-L168 WeakPolarHBondContact OG-CA 3.33Å; S138-I169 PolarHBondContact OG-N 3.3Å; S138-I169 VanDerWaalsContact OG-N 3.09Å
139	Y	90.5	Very high	88	Confident	133 Å²	133	63.6 Å²	63.6	52%	0.522	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-63.3	-26.5	176.1	66.6	-92.5	0	0	0	113.2	I50 L54 I137 K141	I50-Y139 WeakPolarHBondContact CG2-OH 3.22Å; L54-Y139 HydrophobicContact CD1-CE2 4.25Å; I137-Y139 HydrophobicContact CB-CE1 4.45Å; I137-Y139 PolarHBondContact O-N 3.41Å; I137-Y139 VanDerWaalsContact O-N 3.08Å; Y139-K141 VanDerWaalsContact C-N 3.34Å
140	A	91.2	Very high	89.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-91.2	10.5	-178.6	0	0	0	0	0	113.3	L54 I137 S138 N142 Q143 I144	L54-A140 HydrophobicContact CD1-CB 3.72Å; L54-A140 HydrophobicContact CD2-CB 3.96Å; I137-A140 WeakPolarHBondContact O-CB 3.21Å; I137-A140 PolarHBondContact O-N 3.32Å; S138-A140 PolarHBondContact O-N 2.96Å; A140-N142 PolarHBondContact O-N 3.01Å; A140-Q143 WeakPolarHBondContact O-CB 3.44Å; A140-Q143 PolarHBondContact O-N 3.42Å; A140-I144 PolarHBondContact O-N 3.2Å
141	K	91.6	Very high	90.4	Very high	57 Å²	57	59.2 Å²	59.2	25%	0.248	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-40.7	-178	178.1	174.8	176	-69.7	0	113.4	S138 Y139 Q143 I146 Y167 I169	S138-K141 WeakPolarHBondContact O-CB 3.31Å; S138-K141 PolarHBondContact O-N 3.46Å; Y139-K141 VanDerWaalsContact C-N 3.34Å; K141-Q143 VanDerWaalsContact C-N 3.29Å; K141-Q143 PolarHBondContact O-N 3.04Å; K141-I146 HydrophobicContact CG-CD1 3.89Å; K141-Y167 HydrophobicContact CB-CE2 4.04Å; K141-Y167 HydrophobicContact CD-CD1 3.97Å; K141-Y167 HydrophobicContact CD-CD2 3.72Å; K141-Y167 HydrophobicContact CD-CE1 3.64Å; K141-Y167 HydrophobicContact CD-CE2 3.41Å; K141-Y167 VanDerWaalsContact CD-CE2 3.41Å; K141-Y167 HydrophobicContact CD-CG 4.01Å; K141-Y167 HydrophobicContact CG-CE2 4.3Å; K141-I169 HydrophobicContact CB-CD1 3.6Å; K141-I169 HydrophobicContact CG-CD1 3.93Å
142	N	91.2	Very high	91.2	Very high	111 Å²	111	52.8 Å²	52.8	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.1	-176.4	-65.6	-22.9	0	0	0	113.6	R59 A140	R59-N142 WeakPolarHBondContact CD-O 3.48Å; R59-N142 PolarHBondContact NH1-O 3.46Å; A140-N142 PolarHBondContact O-N 3.01Å
143	Q	91.6	Very high	91.9	Very high	85 Å²	85	52.5 Å²	52.5	40%	0.397	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-19.7	179.7	-65.6	172.6	-30.7	0	0	112.3	L54 Y57 R59 A140 K141	L54-Q143 HydrophobicContact CD2-CB 4.41Å; Y57-Q143 WeakPolarHBondContact CD1-O 3.34Å; Y57-Q143 WeakPolarHBondContact CE1-O 3.35Å; R59-Q143 WeakPolarHBondContact CB-O 3.39Å; A140-Q143 WeakPolarHBondContact O-CB 3.44Å; A140-Q143 PolarHBondContact O-N 3.42Å; K141-Q143 VanDerWaalsContact C-N 3.29Å; K141-Q143 PolarHBondContact O-N 3.04Å
144	I	92.9	Very high	92.9	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	24%	0.241	C	C	.	.	S	Bend	trans	-97.1	158.7	-179	67.3	169.7	0	0	0	112.5	L54 Y57 L124 I137 A140 I146 I169	L54-I144 HydrophobicContact CD2-CG2 3.91Å; Y57-I144 HydrophobicContact CE1-CB 4.34Å; L124-I144 HydrophobicContact CD1-CG2 4.08Å; I137-I144 HydrophobicContact CD1-CD1 4.45Å; A140-I144 PolarHBondContact O-N 3.2Å; I144-I146 HydrophobicContact CG1-CG1 4.23Å; I144-I169 HydrophobicContact CD1-CD1 3.89Å; I144-I169 HydrophobicContact CD1-CG2 3.95Å
145	W	94.7	Very high	93.5	Very high	9 Å²	9	46.7 Å²	46.7	3%	0.034	23%	0.233	C	C	.	.			trans	-79.3	135.4	172.5	177.7	96	0	0	0	108.4	Y57 R59 R62 P63 L88 W119 P147 Y212 L217	Y57-W145 HydrophobicContact CE1-CB 4.29Å; Y57-W145 WeakPolarHBondContact OH-CB 3.25Å; Y57-W145 PolarHBondContact OH-N 3.19Å; R59-W145 VanDerWaalsContact O-CD1 3.3Å; R62-W145 HydrophobicContact CB-CZ2 4.24Å; R62-W145 HydrophobicContact CG-CH2 4.29Å; R62-W145 HydrophobicContact CG-CZ2 3.85Å; P63-W145 VanDerWaalsContact CD-CD2 3.48Å; P63-W145 VanDerWaalsContact CD-CE3 3.42Å; P63-W145 HydrophobicContact CG-CD2 4.26Å; P63-W145 HydrophobicContact CG-CE3 3.74Å; P63-W145 HydrophobicContact CG-CZ3 4.05Å; L88-W145 HydrophobicContact CD2-CH2 3.48Å; L88-W145 VanDerWaalsContact CD2-CH2 3.48Å; L88-W145 HydrophobicContact CD2-CZ2 4.44Å; L88-W145 HydrophobicContact CD2-CZ3 3.54Å; W119-W145 HydrophobicContact CG-CZ3 4.4Å; W119-W145 VanDerWaalsContact CZ2-O 3.27Å; W119-W145 WeakPolarHBondContact CZ2-O 3.33Å; W119-W145 AromaticContact NE1-CE3 3.83Å; W119-W145 AromaticContact NE1-CZ3 3.94Å; W145-P147 HydrophobicContact CH2-CB 3.69Å; W145-P147 HydrophobicContact CH2-CG 4.48Å; W145-P147 HydrophobicContact CZ2-CB 4.43Å; W145-P147 HydrophobicContact CZ3-CB 4.01Å; W145-P147 HydrophobicContact CZ3-CG 4.31Å; W145-Y212 AromaticContact CZ2-CE2 3.86Å; W145-Y212 HydrophobicContact CZ2-CE2 3.86Å; W145-Y212 AromaticContact NE1-CZ 3.98Å; W145-Y212 PolarHBondContact NE1-OH 3.5Å; W145-Y212 VanDerWaalsContact NE1-OH 3.12Å; W145-L217 HydrophobicContact CH2-CD1 3.8Å; W145-L217 HydrophobicContact CZ2-CD1 4.21Å
146	I	94.5	Very high	93.7	Very high	47 Å²	47	50.6 Å²	50.6	24%	0.241	25%	0.25	C	S	.	.			trans	-126.4	133	177.3	-60.5	177.8	0	0	0	107.1	K141 I144 F179	K141-I146 HydrophobicContact CG-CD1 3.89Å; I144-I146 HydrophobicContact CG1-CG1 4.23Å; I146-F179 HydrophobicContact CD1-CE1 4.41Å; I146-F179 HydrophobicContact CD1-CZ 4.33Å; I146-F179 HydrophobicContact CG2-CD1 3.97Å; I146-F179 HydrophobicContact CG2-CE1 3.84Å
147	P	95.3	Very high	93.8	Very high	7 Å²	7	48.5 Å²	48.5	5%	0.045	24%	0.243	C	C	.	.			trans	-58.9	144.8	176.9	25.5	-36.1	0	0	0	112	V90 W119 W145 L149 L217 F219	V90-P147 HydrophobicContact CG1-CG 4.12Å; V90-P147 HydrophobicContact CG2-CB 4.23Å; V90-P147 HydrophobicContact CG2-CG 4.49Å; W119-P147 HydrophobicContact CE3-CG 4.08Å; W119-P147 HydrophobicContact CZ3-CG 4.11Å; W145-P147 HydrophobicContact CH2-CB 3.69Å; W145-P147 HydrophobicContact CH2-CG 4.48Å; W145-P147 HydrophobicContact CZ2-CB 4.43Å; W145-P147 HydrophobicContact CZ3-CB 4.01Å; W145-P147 HydrophobicContact CZ3-CG 4.31Å; P147-L149 PolarHBondContact O-N 3.45Å; P147-L217 HydrophobicContact CB-CD1 4.05Å; P147-F219 HydrophobicContact CB-CZ 4.48Å
148	D	93.8	Very high	93.9	Very high	46 Å²	46	53.2 Å²	53.2	25%	0.246	26%	0.263	C	S	.	.			trans	-83.6	49.5	-177.1	67.1	-14.2	0	0	0	112.5	F150 S209 Y210 G211 Y212	D148-F150 PolarHBondContact O-N 3.4Å; D148-S209 VanDerWaalsContact CG-OG 3.3Å; D148-S209 WeakPolarHBondContact OD1-CB 3.36Å; D148-S209 PolarHBondContact OD1-OG 3.38Å; D148-S209 PolarHBondContact OD2-OG 3.04Å; D148-Y210 PolarHBondContact O-N 3.05Å; D148-Y210 PolarHBondContact OD2-N 2.95Å; D148-G211 WeakPolarHBondContact OD2-CA 3.32Å; D148-G211 PolarHBondContact OD2-N 3.44Å; D148-Y212 VanDerWaalsContact OD1-CD2 3.3Å; D148-Y212 WeakPolarHBondContact OD1-CD2 3.22Å
149	L	95.5	Very high	94	Very high	27 Å²	27	56.9 Å²	56.9	14%	0.141	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	120.8	177.7	-171.9	158.8	0	0	0	109.7	V92 L115 Q117 P147 F151 I207 F219	V92-L149 HydrophobicContact CG1-CD1 4.29Å; V92-L149 HydrophobicContact CG2-CD1 3.91Å; L115-L149 HydrophobicContact CD1-CD1 4.33Å; L115-L149 HydrophobicContact CD2-CD1 4.08Å; L115-L149 HydrophobicContact CD2-CD2 3.79Å; Q117-L149 HydrophobicContact CG-CD1 3.97Å; P147-L149 PolarHBondContact O-N 3.45Å; L149-F151 HydrophobicContact CD2-CD2 4.45Å; L149-F151 HydrophobicContact CD2-CE2 3.95Å; L149-F151 HydrophobicContact CD2-CZ 4.02Å; L149-I207 HydrophobicContact CD1-CG2 3.62Å; L149-I207 HydrophobicContact CD2-CG2 3.64Å; L149-I207 HydrophobicContact CG-CG2 3.45Å; L149-I207 VanDerWaalsContact CG-CG2 3.45Å; L149-F219 HydrophobicContact CB-CE1 4.21Å; L149-F219 HydrophobicContact CB-CZ 3.77Å; L149-F219 HydrophobicContact CD1-CE1 3.93Å; L149-F219 HydrophobicContact CD1-CZ 4.22Å; L149-F219 HydrophobicContact CG-CE1 4.27Å; L149-F219 HydrophobicContact CG-CZ 4.04Å
150	F	94.6	Very high	94.2	Very high	59 Å²	59	52.5 Å²	52.5	26%	0.259	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.4	175	84.5	-70.1	0	0	0	111.5	D148 R152 G208 S209 Y210	D148-F150 PolarHBondContact O-N 3.4Å; F150-R152 HydrophobicContact CD2-CG 4.43Å; F150-R152 HydrophobicContact CE1-CG 4.26Å; F150-R152 HydrophobicContact CE2-CB 4.33Å; F150-R152 HydrophobicContact CE2-CG 3.65Å; F150-R152 HydrophobicContact CZ-CG 3.55Å; F150-G208 WeakPolarHBondContact CD1-O 3.37Å; F150-G208 PolarHBondContact N-O 3.07Å; F150-G208 PolarHBondContact O-N 3.15Å; F150-G208 VanDerWaalsContact O-N 3.07Å; F150-S209 VanDerWaalsContact CE1-O 3.25Å; F150-S209 WeakPolarHBondContact CE1-O 3.33Å; F150-Y210 HydrophobicContact CD1-CD2 4.48Å; F150-Y210 HydrophobicContact CD2-CD2 4.42Å; F150-Y210 HydrophobicContact CE1-CD2 4.48Å; F150-Y210 HydrophobicContact CE2-CD2 4.35Å; F150-Y210 HydrophobicContact CG-CD2 4.47Å; F150-Y210 HydrophobicContact CZ-CD2 4.38Å
151	F	96.2	Very high	94.3	Very high	22 Å²	22	58.2 Å²	58.2	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.8	178.8	-64.4	-87.9	0	0	0	109.3	F113 L115 L149 N153 A154 I183 M185 L187 I205 N206 I207	F113-F151 HydrophobicContact CE2-CE1 4.13Å; F113-F151 AromaticContact CE2-CZ 3.86Å; F113-F151 HydrophobicContact CE2-CZ 3.86Å; F113-F151 AromaticContact CZ-CE1 3.66Å; F113-F151 HydrophobicContact CZ-CE1 3.66Å; F113-F151 HydrophobicContact CZ-CE2 4.39Å; F113-F151 AromaticContact CZ-CZ 3.49Å; F113-F151 HydrophobicContact CZ-CZ 3.49Å; F113-F151 VanDerWaalsContact CZ-CZ 3.49Å; L115-F151 HydrophobicContact CD1-CZ 4.49Å; L115-F151 HydrophobicContact CD2-CE2 4.39Å; L115-F151 HydrophobicContact CD2-CZ 4.05Å; L149-F151 HydrophobicContact CD2-CD2 4.45Å; L149-F151 HydrophobicContact CD2-CE2 3.95Å; L149-F151 HydrophobicContact CD2-CZ 4.02Å; F151-N153 VanDerWaalsContact C-N 3.33Å; F151-N153 PolarHBondContact O-N 3.43Å; F151-A154 HydrophobicContact CB-CB 3.65Å; F151-A154 WeakPolarHBondContact O-CB 3.49Å; F151-A154 PolarHBondContact O-N 3.26Å; F151-I183 HydrophobicContact CE2-CD1 4.08Å; F151-I183 HydrophobicContact CZ-CD1 4.19Å; F151-M185 HydrophobicContact CD2-CE 3.37Å; F151-M185 HydrophobicContact CD2-SD 4.31Å; F151-M185 HydrophobicContact CE2-CE 3.62Å; F151-M185 HydrophobicContact CG-CE 4.09Å; F151-L187 HydrophobicContact CB-CD2 4.18Å; F151-L187 HydrophobicContact CD1-CD2 4.47Å; F151-I205 HydrophobicContact CD1-CG2 3.79Å; F151-I205 HydrophobicContact CE1-CG2 3.7Å; F151-N206 CarbonylContact C-O 3.51Å; F151-N206 VanDerWaalsContact CA-O 3.3Å; F151-N206 WeakPolarHBondContact CA-O 3.48Å; F151-I207 HydrophobicContact CD1-CG1 3.83Å; F151-I207 HydrophobicContact CE1-CD1 3.9Å; F151-I207 HydrophobicContact CE1-CG1 3.64Å
152	R	93.9	Very high	94.3	Very high	52 Å²	52	62.9 Å²	62.9	20%	0.196	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-33.9	-171.8	-63.8	-168.8	174.5	-154.6	-6.2	113.4	F150 N206 M267 Y269	F150-R152 HydrophobicContact CD2-CG 4.43Å; F150-R152 HydrophobicContact CE1-CG 4.26Å; F150-R152 HydrophobicContact CE2-CB 4.33Å; F150-R152 HydrophobicContact CE2-CG 3.65Å; F150-R152 HydrophobicContact CZ-CG 3.55Å; R152-N206 HydrophobicContact CB-CB 4.26Å; R152-N206 VanDerWaalsContact CD-OD1 3.28Å; R152-N206 WeakPolarHBondContact CD-OD1 3.34Å; R152-N206 PolarHBondContact N-O 3.19Å; R152-M267 VanDerWaalsContact NH1-CB 3.27Å; R152-M267 PolarHBondContact NH1-SD 3.49Å; R152-M267 VanDerWaalsContact NH1-SD 3.37Å; R152-Y269 PolarHBondContact NH1-OH 2.92Å
153	N	96	Very high	94.4	Very high	28 Å²	28	64.2 Å²	64.2	15%	0.15	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	14.4	-179.9	65.4	-38.1	0	0	0	112.9	F151 L187 S188 T204 N206	F151-N153 VanDerWaalsContact C-N 3.33Å; F151-N153 PolarHBondContact O-N 3.43Å; N153-L187 CarbonylContact O-C 3.47Å; N153-L187 WeakPolarHBondContact O-CA 3.37Å; N153-L187 WeakPolarHBondContact OD1-CD2 3.32Å; N153-S188 PolarHBondContact ND2-O 3.12Å; N153-S188 VanDerWaalsContact ND2-O 3.1Å; N153-S188 PolarHBondContact O-N 3.28Å; N153-T204 PolarHBondContact ND2-O 2.89Å; N153-N206 PolarHBondContact OD1-N 3.42Å
154	A	96.7	Very high	94.4	Very high	40 Å²	40	64.6 Å²	64.6	33%	0.331	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.1	175.4	0	0	0	0	0	111.9	F151 M185 L187	F151-A154 HydrophobicContact CB-CB 3.65Å; F151-A154 WeakPolarHBondContact O-CB 3.49Å; F151-A154 PolarHBondContact O-N 3.26Å; A154-M185 HydrophobicContact CB-CG 4.14Å; A154-M185 HydrophobicContact CB-SD 3.5Å; A154-M185 WeakPolarHBondContact CB-SD 3.42Å; A154-L187 HydrophobicContact CB-CD2 4.07Å
155	K	96	Very high	94.5	Very high	105 Å²	105	67.7 Å²	67.7	46%	0.457	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-40.6	167.7	-65.2	-173	-177.3	177.6	0	111.1	N106 D108 K186	N106-K155 PolarHBondContact O-NZ 2.84Å; D108-K155 HydrophobicContact CB-CD 4.18Å; D108-K155 IonicContact OD2-NZ 3.01Å; D108-K155 PolarHBondContact OD2-NZ 3.08Å; K155-K186 PolarHBondContact N-O 2.93Å
156	H	95.2	Very high	94.5	Very high	121 Å²	121	70 Å²	70	56%	0.56	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.2	148.7	179.6	-174	73.2	0	0	0	109.2	M185 K186	H156-M185 VanDerWaalsContact O-SD 3.4Å; H156-K186 HydrophobicContact CB-CB 4.4Å; H156-K186 PolarHBondContact N-O 3.14Å; H156-K186 WeakPolarHBondContact O-CA 3.27Å; H156-K186 WeakPolarHBondContact O-CB 3.3Å; H156-K186 PolarHBondContact O-N 3.02Å
157	G	94.4	Very high	94.5	Very high	35 Å²	35	71 Å²	71	36%	0.361	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	148.2	174.8	0	0	0	0	0	110.7	S184 M185	G157-S184 WeakPolarHBondContact CA-O 3.1Å; G157-M185 WeakPolarHBondContact CA-SD 3.15Å
158	F	94	Very high	94.5	Very high	102 Å²	102	74.7 Å²	74.7	45%	0.447	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.7	176.4	63.5	-89.6	0	0	0	111	H160 S184	F158-H160 AromaticContact CE2-CE1 3.76Å; F158-H160 AromaticContact CE2-NE2 3.73Å; F158-S184 WeakPolarHBondContact CZ-OG 3.44Å; F158-S184 PolarHBondContact N-O 3.36Å; F158-S184 PolarHBondContact O-N 2.86Å; F158-S184 VanDerWaalsContact O-N 3.11Å
159	L	94.6	Very high	94.6	Very high	103 Å²	103	72.5 Å²	72.5	54%	0.539	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	142	171.6	-63.8	173.1	0	0	0	108.2	I183	L159-I183 HydrophobicContact CD2-CG1 3.97Å
160	H	94.4	Very high	94.6	Very high	42 Å²	42	74.5 Å²	74.5	19%	0.194	39%	0.388	C	S	.	.			trans	-80.6	133.6	175.8	-63.8	-110.3	0	0	0	109.4	F158 N166 K182 S184	F158-H160 AromaticContact CE2-CE1 3.76Å; F158-H160 AromaticContact CE2-NE2 3.73Å; H160-N166 HydrophobicContact CB-CB 4.01Å; H160-N166 WeakPolarHBondContact CB-OD1 3.45Å; H160-N166 WeakPolarHBondContact O-CB 3.45Å; H160-N166 PolarHBondContact O-N 2.85Å; H160-N166 PolarHBondContact O-OD1 3.02Å; H160-K182 HydrophobicContact CB-CD 4.18Å; H160-K182 PolarHBondContact ND1-NZ 2.85Å; H160-S184 PolarHBondContact CE1-OG 3.36Å; H160-S184 VanDerWaalsContact CE1-OG 3.31Å; H160-S184 PolarHBondContact NE2-OG 3.32Å
161	D	93	Very high	94.5	Very high	119 Å²	119	71.9 Å²	71.9	64%	0.636	38%	0.377	S	S	*	.			trans	-125	4.9	-175.1	63.5	-9.4	0	0	0	115.3	T163 T164	D161-T163 CarbonylContact O-C 3.48Å; D161-T164 CarbonylContact C-O 3.58Å; D161-T164 CarbonylContact O-C 3.46Å; D161-T164 WeakPolarHBondContact O-CA 3.49Å; D161-T164 PolarHBondContact O-N 3.4Å
162	M	91.5	Very high	94.3	Very high	156 Å²	156	72.4 Å²	72.4	77%	0.768	38%	0.381	S	S	*	.	S	Bend	trans	-109.2	133.8	-174.7	-174.2	177	64.6	0	0	112.2	T164 N166	M162-T164 VanDerWaalsContact C-N 3.3Å; M162-N166 PolarHBondContact O-OD1 3.46Å
163	T	93.4	Very high	94.1	Very high	139 Å²	139	70.9 Å²	70.9	85%	0.853	38%	0.378	S	S	*	.	S	Bend	cis	-75	-16.4	-10.7	49	0	0	0	0	113.3	D161	D161-T163 CarbonylContact O-C 3.48Å
164	T	92.9	Very high	93.7	Very high	93 Å²	93	74.6 Å²	74.6	57%	0.571	40%	0.398	S	S	*	.	S	Bend	trans	-132.2	154.8	172.2	57.2	0	0	0	0	108.7	D161 M162 N166	D161-T164 CarbonylContact C-O 3.58Å; D161-T164 CarbonylContact O-C 3.46Å; D161-T164 WeakPolarHBondContact O-CA 3.49Å; D161-T164 PolarHBondContact O-N 3.4Å; M162-T164 VanDerWaalsContact C-N 3.3Å; T164-N166 PolarHBondContact O-N 3.4Å; T164-N166 VanDerWaalsContact O-N 3.14Å
165	P	93.4	Very high	93.4	Very high	70 Å²	70	72.7 Å²	72.7	46%	0.455	38%	0.382	S	S	.	.			trans	-43.4	119.5	172.5	-31	37.3	0	0	0	113.7	Y167	P165-Y167 HydrophobicContact CB-CD1 3.67Å; P165-Y167 HydrophobicContact CB-CE1 3.23Å; P165-Y167 HydrophobicContact CG-CE1 4.27Å; P165-Y167 PolarHBondContact O-N 2.91Å
166	N	94.6	Very high	93.2	Very high	57 Å²	57	68.7 Å²	68.7	31%	0.305	37%	0.365	S	S	.	.			trans	-82.3	66.4	-174	-62.7	98.8	0	0	0	111.7	H160 M162 T164 Q181 K182	H160-N166 HydrophobicContact CB-CB 4.01Å; H160-N166 WeakPolarHBondContact CB-OD1 3.45Å; H160-N166 WeakPolarHBondContact O-CB 3.45Å; H160-N166 PolarHBondContact O-N 2.85Å; H160-N166 PolarHBondContact O-OD1 3.02Å; M162-N166 PolarHBondContact O-OD1 3.46Å; T164-N166 PolarHBondContact O-N 3.4Å; T164-N166 VanDerWaalsContact O-N 3.14Å; N166-Q181 WeakPolarHBondContact O-CA 3.46Å; N166-K182 HydrophobicContact CB-CB 3.87Å; N166-K182 PolarHBondContact O-N 3.31Å
167	Y	95.4	Very high	93.2	Very high	67 Å²	67	62.9 Å²	62.9	26%	0.263	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.1	168.9	63	-103.1	0	0	0	111.5	K141 P165 F179 S180	K141-Y167 HydrophobicContact CB-CE2 4.04Å; K141-Y167 HydrophobicContact CD-CD1 3.97Å; K141-Y167 HydrophobicContact CD-CD2 3.72Å; K141-Y167 HydrophobicContact CD-CE1 3.64Å; K141-Y167 HydrophobicContact CD-CE2 3.41Å; K141-Y167 VanDerWaalsContact CD-CE2 3.41Å; K141-Y167 HydrophobicContact CD-CG 4.01Å; K141-Y167 HydrophobicContact CG-CE2 4.3Å; P165-Y167 HydrophobicContact CB-CD1 3.67Å; P165-Y167 HydrophobicContact CB-CE1 3.23Å; P165-Y167 HydrophobicContact CG-CE1 4.27Å; P165-Y167 PolarHBondContact O-N 2.91Å; Y167-F179 HydrophobicContact CD2-CE2 4.41Å; Y167-F179 HydrophobicContact CG-CE2 4.33Å; Y167-S180 CarbonylContact C-O 3.57Å; Y167-S180 WeakPolarHBondContact CA-O 3.11Å
168	L	95.1	Very high	93.2	Very high	86 Å²	86	62.2 Å²	62.2	45%	0.45	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.7	177.6	-65	172.6	0	0	0	108.9	S138 W170 S180	S138-L168 WeakPolarHBondContact OG-CA 3.33Å; L168-W170 HydrophobicContact CB-CH2 3.81Å; L168-W170 HydrophobicContact CB-CZ2 3.72Å; L168-W170 HydrophobicContact CB-CZ3 4.28Å; L168-W170 HydrophobicContact CD1-CH2 3.91Å; L168-W170 HydrophobicContact CD1-CZ2 3.57Å; L168-W170 HydrophobicContact CG-CZ2 4.26Å; L168-S180 PolarHBondContact N-O 3.38Å; L168-S180 PolarHBondContact O-N 3.36Å
169	I	96	Very high	93.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122	173.3	-58.1	159.9	0	0	0	107.7	P136 I137 S138 K141 I144 I177 T178 F179	P136-I169 WeakPolarHBondContact CA-O 3.38Å; I137-I169 HydrophobicContact CD1-CG2 3.8Å; I137-I169 HydrophobicContact CG1-CB 4.08Å; I137-I169 HydrophobicContact CG1-CG2 3.56Å; I137-I169 PolarHBondContact N-O 2.61Å; S138-I169 PolarHBondContact OG-N 3.3Å; S138-I169 VanDerWaalsContact OG-N 3.09Å; K141-I169 HydrophobicContact CB-CD1 3.6Å; K141-I169 HydrophobicContact CG-CD1 3.93Å; I144-I169 HydrophobicContact CD1-CD1 3.89Å; I144-I169 HydrophobicContact CD1-CG2 3.95Å; I169-I177 HydrophobicContact CG2-CG2 3.8Å; I169-T178 WeakPolarHBondContact CA-O 3.43Å; I169-F179 HydrophobicContact CD1-CD2 4.19Å; I169-F179 HydrophobicContact CD1-CE2 4.3Å; I169-F179 HydrophobicContact CG1-CD2 3.4Å; I169-F179 VanDerWaalsContact CG1-CD2 3.4Å; I169-F179 HydrophobicContact CG1-CE2 3.9Å; I169-F179 HydrophobicContact CG1-CG 4.36Å
170	W	94.7	Very high	93.5	Very high	69 Å²	69	53.1 Å²	53.1	26%	0.261	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.2	171.3	-56	-78.1	0	0	0	109.9	K134 L135 L168 I177 T178	K134-W170 HydrophobicContact CB-CB 4.15Å; K134-W170 HydrophobicContact CB-CG 4.27Å; L135-W170 CarbonylContact O-C 3.59Å; L135-W170 WeakPolarHBondContact O-CA 3.47Å; L168-W170 HydrophobicContact CB-CH2 3.81Å; L168-W170 HydrophobicContact CB-CZ2 3.72Å; L168-W170 HydrophobicContact CB-CZ3 4.28Å; L168-W170 HydrophobicContact CD1-CH2 3.91Å; L168-W170 HydrophobicContact CD1-CZ2 3.57Å; L168-W170 HydrophobicContact CG-CZ2 4.26Å; W170-I177 CarbonylContact O-C 3.59Å; W170-I177 WeakPolarHBondContact O-CA 3.35Å; W170-T178 HydrophobicContact CE3-CG2 3.69Å; W170-T178 HydrophobicContact CZ3-CG2 3.99Å; W170-T178 PolarHBondContact N-O 3.33Å; W170-T178 PolarHBondContact O-N 3.13Å
171	L	93.7	Very high	93.5	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.4	172.7	-178.8	58	0	0	0	108.7	L124 F126 F132 L135 I137 I177	L124-L171 HydrophobicContact CB-CD1 4.13Å; L124-L171 HydrophobicContact CB-CD2 4.3Å; F126-L171 HydrophobicContact CE2-CD2 3.58Å; F126-L171 HydrophobicContact CE2-CG 4.34Å; F126-L171 HydrophobicContact CZ-CD2 4.34Å; F132-L171 VanDerWaalsContact CE2-O 3.26Å; F132-L171 WeakPolarHBondContact CE2-O 3.23Å; L135-L171 PolarHBondContact N-O 3.41Å; L135-L171 PolarHBondContact O-N 2.62Å; I137-L171 HydrophobicContact CD1-CB 3.91Å; I137-L171 HydrophobicContact CD1-CD2 4.08Å; I137-L171 HydrophobicContact CG1-CB 4.07Å; I137-L171 HydrophobicContact CG2-CB 4.35Å; L171-I177 HydrophobicContact CD1-CG1 3.72Å
172	D	91.7	Very high	93.7	Very high	33 Å²	33	50.2 Å²	50.2	18%	0.176	27%	0.266	C	S	.	.			trans	-96.9	155.6	168.3	-66.7	-32.6	0	0	0	110.2	K134 N174 G175 L176	K134-D172 PolarHBondContact N-OD1 3.08Å; D172-N174 PolarHBondContact O-N 2.83Å; D172-G175 PolarHBondContact O-N 3.23Å; D172-L176 HydrophobicContact CB-CB 4.12Å; D172-L176 PolarHBondContact N-O 3.18Å
173	S	89	Confident	94	Very high	20 Å²	20	43 Å²	43	14%	0.14	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-26.4	-178.5	60.7	0	0	0	0	114.4	F126 H130 F132 G175	F126-S173 PolarHBondContact N-O 3.3Å; H130-S173 VanDerWaalsContact O-CB 3.31Å; H130-S173 WeakPolarHBondContact O-CB 3.47Å; F132-S173 PolarHBondContact O-N 3.13Å; S173-G175 VanDerWaalsContact C-N 3.27Å; S173-G175 PolarHBondContact O-N 3.04Å
174	N	88	Confident	94.1	Very high	106 Å²	106	36.4 Å²	36.4	57%	0.567	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.1	-179.5	-63.4	-11.4	0	0	0	113.9	L120 D172	L120-N174 WeakPolarHBondContact CD1-O 3.49Å; D172-N174 PolarHBondContact O-N 2.83Å
175	G	89.8	Confident	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	91.4	8.5	-172.8	0	0	0	0	0	114	D121 D172 S173 I177	D121-G175 PolarHBondContact N-O 3.28Å; D121-G175 WeakPolarHBondContact O-CA 3.32Å; D172-G175 PolarHBondContact O-N 3.23Å; S173-G175 VanDerWaalsContact C-N 3.27Å; S173-G175 PolarHBondContact O-N 3.04Å; G175-I177 PolarHBondContact O-N 3.34Å
176	L	92.6	Very high	94.5	Very high	20 Å²	20	32.6 Å²	32.6	11%	0.105	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.3	178.4	-172.2	65.5	0	0	0	108.9	R118 L120 D172 Y227	R118-L176 HydrophobicContact CG-CD1 3.63Å; R118-L176 HydrophobicContact CG-CD2 4.3Å; R118-L176 HydrophobicContact CG-CG 3.93Å; L120-L176 HydrophobicContact CB-CD1 4.3Å; L120-L176 HydrophobicContact CD1-CB 4.22Å; D172-L176 HydrophobicContact CB-CB 4.12Å; D172-L176 PolarHBondContact N-O 3.18Å; L176-Y227 HydrophobicContact CD1-CD1 3.66Å; L176-Y227 HydrophobicContact CD1-CD2 3.86Å; L176-Y227 HydrophobicContact CD1-CE1 3.9Å; L176-Y227 HydrophobicContact CD1-CE2 4.1Å; L176-Y227 HydrophobicContact CD1-CG 3.64Å
177	I	94.7	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.8	-179.6	-62.6	163.6	0	0	0	108.1	R118 W119 D121 L124 I169 W170 L171 G175	R118-I177 VanDerWaalsContact CA-O 3.25Å; R118-I177 WeakPolarHBondContact CA-O 3.44Å; W119-I177 HydrophobicContact CD2-CB 4.29Å; W119-I177 HydrophobicContact CH2-CB 4.38Å; W119-I177 HydrophobicContact CH2-CG2 3.62Å; W119-I177 HydrophobicContact CZ2-CB 3.96Å; W119-I177 HydrophobicContact CZ2-CD1 4.02Å; W119-I177 HydrophobicContact CZ2-CG2 3.53Å; W119-I177 HydrophobicContact CZ3-CG2 4.17Å; W119-I177 PolarHBondContact N-O 3.45Å; W119-I177 VanDerWaalsContact N-O 3.08Å; W119-I177 PolarHBondContact O-N 2.96Å; D121-I177 HydrophobicContact CB-CD1 3.89Å; L124-I177 HydrophobicContact CD1-CD1 3.64Å; I169-I177 HydrophobicContact CG2-CG2 3.8Å; W170-I177 CarbonylContact O-C 3.59Å; W170-I177 WeakPolarHBondContact O-CA 3.35Å; L171-I177 HydrophobicContact CD1-CG1 3.72Å; G175-I177 PolarHBondContact O-N 3.34Å
178	T	95.5	Very high	94.7	Very high	20 Å²	20	28 Å²	28	12%	0.123	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.6	168.5	-58.8	0	0	0	0	109	Q117 I169 W170 W222	Q117-T178 CarbonylContact O-C 3.6Å; Q117-T178 WeakPolarHBondContact O-CA 3.32Å; I169-T178 WeakPolarHBondContact CA-O 3.43Å; W170-T178 HydrophobicContact CE3-CG2 3.69Å; W170-T178 HydrophobicContact CZ3-CG2 3.99Å; W170-T178 PolarHBondContact N-O 3.33Å; W170-T178 PolarHBondContact O-N 3.13Å; T178-W222 HydrophobicContact CG2-CH2 3.77Å; T178-W222 HydrophobicContact CG2-CZ3 4.16Å
179	F	96.7	Very high	94.8	Very high	3 Å²	3	24 Å²	24	1%	0.013	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.5	177.6	178.7	-135.3	0	0	0	110	R116 Q117 W119 I146 Y167 I169 Q181	R116-F179 CarbonylContact C-O 3.5Å; R116-F179 VanDerWaalsContact CA-O 3.28Å; R116-F179 WeakPolarHBondContact CA-O 3.34Å; Q117-F179 PolarHBondContact N-O 3.2Å; Q117-F179 PolarHBondContact O-N 3.13Å; W119-F179 HydrophobicContact CH2-CB 3.78Å; W119-F179 HydrophobicContact CH2-CG 4.47Å; W119-F179 HydrophobicContact CZ3-CB 3.65Å; I146-F179 HydrophobicContact CD1-CE1 4.41Å; I146-F179 HydrophobicContact CD1-CZ 4.33Å; I146-F179 HydrophobicContact CG2-CD1 3.97Å; I146-F179 HydrophobicContact CG2-CE1 3.84Å; Y167-F179 HydrophobicContact CD2-CE2 4.41Å; Y167-F179 HydrophobicContact CG-CE2 4.33Å; I169-F179 HydrophobicContact CD1-CD2 4.19Å; I169-F179 HydrophobicContact CD1-CE2 4.3Å; I169-F179 HydrophobicContact CG1-CD2 3.4Å; I169-F179 VanDerWaalsContact CG1-CD2 3.4Å; I169-F179 HydrophobicContact CG1-CE2 3.9Å; I169-F179 HydrophobicContact CG1-CG 4.36Å; F179-Q181 HydrophobicContact CZ-CB 4.42Å
180	S	96.6	Very high	94.7	Very high	11 Å²	11	31.8 Å²	31.8	8%	0.077	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133	178.6	180	0	0	0	0	109.7	L115 Y167 L168	L115-S180 CarbonylContact O-C 3.55Å; L115-S180 WeakPolarHBondContact O-CA 3.39Å; Y167-S180 CarbonylContact C-O 3.57Å; Y167-S180 WeakPolarHBondContact CA-O 3.11Å; L168-S180 PolarHBondContact N-O 3.38Å; L168-S180 PolarHBondContact O-N 3.36Å
181	Q	96.2	Very high	94.7	Very high	31 Å²	31	29 Å²	29	15%	0.145	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.9	176	61.7	-178.3	51.3	0	0	111.3	M114 L115 N166 F179 I183	M114-Q181 CarbonylContact C-O 3.5Å; M114-Q181 WeakPolarHBondContact CA-O 3.44Å; L115-Q181 HydrophobicContact CB-CG 4.16Å; L115-Q181 PolarHBondContact N-O 3.15Å; L115-Q181 PolarHBondContact O-N 3.42Å; N166-Q181 WeakPolarHBondContact O-CA 3.46Å; F179-Q181 HydrophobicContact CZ-CB 4.42Å; Q181-I183 HydrophobicContact CG-CD1 3.94Å; Q181-I183 HydrophobicContact CG-CG1 3.87Å
182	K	96.5	Very high	94.7	Very high	69 Å²	69	32.9 Å²	32.9	30%	0.3	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.5	172.9	-171.4	-174.3	175.9	-164	0	109.7	H160 N166	H160-K182 HydrophobicContact CB-CD 4.18Å; H160-K182 PolarHBondContact ND1-NZ 2.85Å; N166-K182 HydrophobicContact CB-CB 3.87Å; N166-K182 PolarHBondContact O-N 3.31Å
183	I	96.6	Very high	94.8	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.2	-175.9	-45.3	178.8	0	0	0	109.1	F113 L115 F151 L159 Q181 M185	F113-I183 HydrophobicContact CE1-CB 4.37Å; F113-I183 HydrophobicContact CE2-CD1 4.33Å; F113-I183 HydrophobicContact CZ-CB 4.31Å; F113-I183 HydrophobicContact CZ-CD1 4.33Å; F113-I183 PolarHBondContact N-O 3.26Å; F113-I183 PolarHBondContact O-N 3.44Å; F113-I183 VanDerWaalsContact O-O 3.12Å; L115-I183 HydrophobicContact CB-CD1 3.61Å; L115-I183 HydrophobicContact CB-CG1 4.33Å; L115-I183 HydrophobicContact CD2-CD1 3.66Å; L115-I183 HydrophobicContact CG-CD1 4.29Å; F151-I183 HydrophobicContact CE2-CD1 4.08Å; F151-I183 HydrophobicContact CZ-CD1 4.19Å; L159-I183 HydrophobicContact CD2-CG1 3.97Å; Q181-I183 HydrophobicContact CG-CD1 3.94Å; Q181-I183 HydrophobicContact CG-CG1 3.87Å; I183-M185 HydrophobicContact CG2-CB 4.38Å; I183-M185 HydrophobicContact CG2-CE 3.58Å
184	S	96.9	Very high	95.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.8	159.9	-69.7	0	0	0	0	108.3	D112 G157 F158 H160	D112-S184 VanDerWaalsContact OD1-CB 3.24Å; D112-S184 WeakPolarHBondContact OD1-CB 3.45Å; D112-S184 PolarHBondContact OD1-OG 2.94Å; G157-S184 WeakPolarHBondContact CA-O 3.1Å; F158-S184 WeakPolarHBondContact CZ-OG 3.44Å; F158-S184 PolarHBondContact N-O 3.36Å; F158-S184 PolarHBondContact O-N 2.86Å; F158-S184 VanDerWaalsContact O-N 3.11Å; H160-S184 PolarHBondContact CE1-OG 3.36Å; H160-S184 VanDerWaalsContact CE1-OG 3.31Å; H160-S184 PolarHBondContact NE2-OG 3.32Å
185	M	96.1	Very high	95.3	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.084	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.1	-173.8	-166.4	69.9	59.5	0	0	110.3	T110 V111 F113 F151 A154 H156 G157 I183 L187	T110-M185 WeakPolarHBondContact CA-O 3.43Å; V111-M185 PolarHBondContact N-O 3.26Å; V111-M185 PolarHBondContact O-N 3.08Å; F113-M185 HydrophobicContact CE1-CB 3.87Å; F113-M185 HydrophobicContact CZ-CB 4.49Å; F151-M185 HydrophobicContact CD2-CE 3.37Å; F151-M185 HydrophobicContact CD2-SD 4.31Å; F151-M185 HydrophobicContact CE2-CE 3.62Å; F151-M185 HydrophobicContact CG-CE 4.09Å; A154-M185 HydrophobicContact CB-CG 4.14Å; A154-M185 HydrophobicContact CB-SD 3.5Å; A154-M185 WeakPolarHBondContact CB-SD 3.42Å; H156-M185 VanDerWaalsContact O-SD 3.4Å; G157-M185 WeakPolarHBondContact CA-SD 3.15Å; I183-M185 HydrophobicContact CG2-CB 4.38Å; I183-M185 HydrophobicContact CG2-CE 3.58Å; M185-L187 HydrophobicContact CB-CG 4.35Å; M185-L187 HydrophobicContact CG-CD1 4.33Å; M185-L187 HydrophobicContact CG-CD2 3.66Å; M185-L187 HydrophobicContact CG-CG 3.72Å
186	K	97.6	Very high	95.5	Very high	66 Å²	66	31.7 Å²	31.7	29%	0.287	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.6	170.1	-173.4	172.2	179.9	-179.5	0	109	D108 F109 K155 H156	D108-K186 HydrophobicContact CB-CG 4.35Å; D108-K186 WeakPolarHBondContact OD1-CE 3.1Å; D108-K186 IonicContact OD1-NZ 3.83Å; D108-K186 PolarHBondContact OD1-NZ 3.41Å; D108-K186 WeakPolarHBondContact OD2-CE 3.46Å; D108-K186 IonicContact OD2-NZ 3.23Å; D108-K186 PolarHBondContact OD2-NZ 3.03Å; D108-K186 VanDerWaalsContact OD2-NZ 3.14Å; F109-K186 CarbonylContact O-C 3.49Å; F109-K186 WeakPolarHBondContact O-CA 3.24Å; K155-K186 PolarHBondContact N-O 2.93Å; H156-K186 HydrophobicContact CB-CB 4.4Å; H156-K186 PolarHBondContact N-O 3.14Å; H156-K186 WeakPolarHBondContact O-CA 3.27Å; H156-K186 WeakPolarHBondContact O-CB 3.3Å; H156-K186 PolarHBondContact O-N 3.02Å
187	L	97.8	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.6	-172.1	-65.6	161.8	0	0	0	110.5	D108 F109 V111 F151 N153 A154 M185 I205	D108-L187 CarbonylContact C-O 3.4Å; D108-L187 WeakPolarHBondContact CA-O 3.43Å; D108-L187 WeakPolarHBondContact CB-O 3.47Å; F109-L187 HydrophobicContact CD1-CB 4.03Å; F109-L187 WeakPolarHBondContact CD1-O 3.19Å; F109-L187 HydrophobicContact CE1-CB 3.49Å; F109-L187 VanDerWaalsContact CE1-CB 3.49Å; F109-L187 HydrophobicContact CE1-CD1 4.19Å; F109-L187 HydrophobicContact CE2-CB 4.33Å; F109-L187 HydrophobicContact CE2-CD1 3.79Å; F109-L187 HydrophobicContact CZ-CB 3.68Å; F109-L187 HydrophobicContact CZ-CD1 3.47Å; F109-L187 VanDerWaalsContact CZ-CD1 3.47Å; F109-L187 HydrophobicContact CZ-CG 4.23Å; F109-L187 PolarHBondContact N-O 3.32Å; F109-L187 PolarHBondContact O-N 3.03Å; V111-L187 HydrophobicContact CG1-CD1 3.76Å; F151-L187 HydrophobicContact CB-CD2 4.18Å; F151-L187 HydrophobicContact CD1-CD2 4.47Å; N153-L187 CarbonylContact O-C 3.47Å; N153-L187 WeakPolarHBondContact O-CA 3.37Å; N153-L187 WeakPolarHBondContact OD1-CD2 3.32Å; A154-L187 HydrophobicContact CB-CD2 4.07Å; M185-L187 HydrophobicContact CB-CG 4.35Å; M185-L187 HydrophobicContact CG-CD1 4.33Å; M185-L187 HydrophobicContact CG-CD2 3.66Å; M185-L187 HydrophobicContact CG-CG 3.72Å; L187-I205 HydrophobicContact CD1-CB 4.31Å; L187-I205 HydrophobicContact CD1-CD1 4.4Å; L187-I205 HydrophobicContact CD1-CG1 3.56Å; L187-I205 HydrophobicContact CD1-CG2 4.4Å
188	S	97.4	Very high	95.4	Very high	26 Å²	26	30.9 Å²	30.9	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	133.2	172.8	-166.9	0	0	0	0	110.2	N153	N153-S188 PolarHBondContact ND2-O 3.12Å; N153-S188 VanDerWaalsContact ND2-O 3.1Å; N153-S188 PolarHBondContact O-N 3.28Å
189	C	96.8	Very high	95.3	Very high	3 Å²	3	30 Å²	30	2%	0.02	15%	0.15	C	C	.	.			trans	-132.8	113.7	174.1	177	0	0	0	0	109.3	M107 F109 M191 C203	M107-C189 CarbonylContact C-O 3.46Å; M107-C189 WeakPolarHBondContact CB-O 3.49Å; M107-C189 PolarHBondContact O-N 3.3Å; F109-C189 HydrophobicContact CD1-CB 3.72Å; F109-C189 HydrophobicContact CE1-CB 4.08Å; C189-M191 HydrophobicContact CB-CE 4.28Å; C189-M191 PolarHBondContact O-N 3.3Å; C189-M191 VanDerWaalsContact O-N 3.11Å; C189-C203 HydrophobicContact CB-CB 3.79Å; C189-C203 WeakPolarHBondContact CB-SG 3.45Å; C189-C203 WeakPolarHBondContact SG-CA 3.29Å; C189-C203 WeakPolarHBondContact SG-CB 3.35Å; C189-C203 CovalentContact SG-SG 2.05Å; C189-C203 PolarHBondContact SG-SG 3.12Å
190	H	94.4	Very high	95.2	Very high	164 Å²	164	32 Å²	32	76%	0.759	17%	0.165	S	C	*	.			trans	-78	95.5	178.4	-69.8	-78.4	0	0	0	109.9
191	M	94.5	Very high	95.2	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.044	16%	0.162	C	C	.	.			trans	-84.9	137.1	-177.7	-60.1	177	-168.2	0	0	112	I102 V104 M107 C189 L193 Q201	I102-M191 HydrophobicContact CG2-CE 3.6Å; V104-M191 HydrophobicContact CB-SD 4.34Å; V104-M191 HydrophobicContact CG1-SD 4.1Å; V104-M191 HydrophobicContact CG2-SD 4.3Å; M107-M191 HydrophobicContact CE-CB 4.49Å; M107-M191 HydrophobicContact SD-CB 3.71Å; M107-M191 HydrophobicContact SD-CG 4.14Å; M107-M191 HydrophobicContact SD-SD 4.45Å; C189-M191 HydrophobicContact CB-CE 4.28Å; C189-M191 PolarHBondContact O-N 3.3Å; C189-M191 VanDerWaalsContact O-N 3.11Å; M191-L193 HydrophobicContact CB-CD2 4.11Å; M191-L193 HydrophobicContact CB-CG 4.45Å; M191-Q201 HydrophobicContact CB-CG 4.33Å; M191-Q201 HydrophobicContact CG-CB 4.47Å; M191-Q201 HydrophobicContact CG-CG 4.13Å; M191-Q201 HydrophobicContact SD-CG 4.41Å
192	T	94	Very high	95.1	Very high	87 Å²	87	34.9 Å²	34.9	53%	0.534	18%	0.177	S	C	.	.			trans	-99.5	111.3	173.9	52.9	0	0	0	0	109.7	Q201	T192-Q201 PolarHBondContact O-NE2 3.47Å
193	L	94	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.			trans	-104.8	16.6	-168.5	-57.1	175.7	0	0	0	113.9	V104 M107 M191 T195 F196 P343 V345 Y347 K349	V104-L193 HydrophobicContact CG1-CD1 3.89Å; V104-L193 HydrophobicContact CG1-CD2 3.87Å; M107-L193 HydrophobicContact CE-CD1 4.01Å; M191-L193 HydrophobicContact CB-CD2 4.11Å; M191-L193 HydrophobicContact CB-CG 4.45Å; L193-T195 VanDerWaalsContact C-N 3.26Å; L193-T195 PolarHBondContact O-N 2.97Å; L193-F196 HydrophobicContact CB-CB 4.2Å; L193-F196 HydrophobicContact CD2-CD2 4.22Å; L193-F196 VanDerWaalsContact O-CB 3.25Å; L193-F196 WeakPolarHBondContact O-CB 3.48Å; L193-F196 PolarHBondContact O-N 3.01Å; L193-F196 VanDerWaalsContact O-N 3.14Å; L193-P343 HydrophobicContact CD1-CG 3.5Å; L193-V345 HydrophobicContact CD1-CG1 4.31Å; L193-Y347 HydrophobicContact CB-CE2 4.16Å; L193-Y347 PolarHBondContact N-OH 3.41Å; L193-K349 HydrophobicContact CB-CD 4.24Å; L193-K349 HydrophobicContact CB-CG 4.45Å
194	H	93.4	Very high	95.1	Very high	109 Å²	109	32.9 Å²	32.9	51%	0.505	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-41.5	-179.1	-73.4	-67.4	0	0	0	112.6	Y347 K349 G350	H194-Y347 AromaticContact CE1-CD2 3.53Å; H194-Y347 AromaticContact CE1-CG 3.63Å; H194-Y347 AromaticContact ND1-CD2 3.51Å; H194-Y347 AromaticContact ND1-CE2 3.93Å; H194-K349 CarbonylContact O-C 3.49Å; H194-G350 PolarHBondContact O-N 3.37Å
195	T	93.2	Very high	95.1	Very high	25 Å²	25	32.9 Å²	32.9	15%	0.153	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	12.8	-178.7	58.5	0	0	0	0	113.7	L193 F198 D199 Y511	L193-T195 VanDerWaalsContact C-N 3.26Å; L193-T195 PolarHBondContact O-N 2.97Å; T195-F198 CarbonylContact O-C 3.59Å; T195-F198 WeakPolarHBondContact O-CA 3.32Å; T195-F198 PolarHBondContact O-N 3.42Å; T195-F198 PolarHBondContact OG1-O 3.06Å; T195-D199 WeakPolarHBondContact OG1-CA 3.19Å; T195-Y511 HydrophobicContact CG2-CD1 3.99Å; T195-Y511 HydrophobicContact CG2-CD2 3.98Å; T195-Y511 HydrophobicContact CG2-CE1 3.89Å; T195-Y511 HydrophobicContact CG2-CE2 3.89Å; T195-Y511 HydrophobicContact CG2-CG 4.02Å
196	F	93.6	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.5	-179.8	179.1	-86.8	0	0	0	111.6	L193 Y291 V342 K349 I351	L193-F196 HydrophobicContact CB-CB 4.2Å; L193-F196 HydrophobicContact CD2-CD2 4.22Å; L193-F196 VanDerWaalsContact O-CB 3.25Å; L193-F196 WeakPolarHBondContact O-CB 3.48Å; L193-F196 PolarHBondContact O-N 3.01Å; L193-F196 VanDerWaalsContact O-N 3.14Å; F196-Y291 HydrophobicContact CE1-CD1 4.34Å; F196-Y291 AromaticContact CE1-CE1 3.95Å; F196-Y291 HydrophobicContact CE1-CE1 3.95Å; F196-Y291 HydrophobicContact CZ-CD1 4.28Å; F196-Y291 AromaticContact CZ-CE1 3.51Å; F196-Y291 HydrophobicContact CZ-CE1 3.51Å; F196-Y291 HydrophobicContact CZ-CE2 4.21Å; F196-Y291 AromaticContact CZ-CZ 3.47Å; F196-Y291 VanDerWaalsContact CZ-CZ 3.47Å; F196-Y291 WeakPolarHBondContact CZ-OH 3.35Å; F196-V342 HydrophobicContact CD1-CG1 4.29Å; F196-V342 HydrophobicContact CD2-CG1 4.42Å; F196-V342 HydrophobicContact CE1-CG1 3.62Å; F196-V342 HydrophobicContact CE2-CG1 3.76Å; F196-V342 HydrophobicContact CZ-CG1 3.3Å; F196-K349 HydrophobicContact CB-CB 4.5Å; F196-I351 HydrophobicContact CD1-CB 4.17Å; F196-I351 HydrophobicContact CD1-CG2 3.69Å; F196-I351 HydrophobicContact CE1-CD1 4.19Å; F196-I351 HydrophobicContact CE1-CG2 4.07Å; F196-I351 PolarHBondContact O-N 3.36Å
197	P	93.1	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.9	13	7.8	38.2	-36.5	0	0	0	115.7	D199 R286 F288 Y291 Y296	P197-D199 VanDerWaalsContact C-OD1 3.23Å; P197-D199 WeakPolarHBondContact CA-OD1 3.45Å; P197-D199 PolarHBondContact O-N 3.29Å; P197-R286 WeakPolarHBondContact O-CD 3.35Å; P197-F288 HydrophobicContact CG-CB 4.36Å; P197-Y291 HydrophobicContact CB-CD1 4.43Å; P197-Y291 HydrophobicContact CB-CD2 3.57Å; P197-Y291 HydrophobicContact CB-CE2 4.08Å; P197-Y291 HydrophobicContact CB-CG 3.78Å; P197-Y291 HydrophobicContact CG-CD2 4.2Å; P197-Y291 HydrophobicContact CG-CG 3.99Å; P197-Y296 WeakPolarHBondContact CD-OH 3.46Å; P197-Y296 HydrophobicContact CG-CE2 4.02Å
198	F	93.1	Very high	94.8	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.157	C	C	.	.	S	Bend	trans	-92.6	34.8	177.8	-51.8	-83.4	0	0	0	111.6	T195 F288 Y296 W505 F508 L509 Y511	T195-F198 CarbonylContact O-C 3.59Å; T195-F198 WeakPolarHBondContact O-CA 3.32Å; T195-F198 PolarHBondContact O-N 3.42Å; T195-F198 PolarHBondContact OG1-O 3.06Å; F198-F288 HydrophobicContact CD1-CB 4.06Å; F198-F288 HydrophobicContact CD1-CD1 4.09Å; F198-F288 HydrophobicContact CD1-CD2 4.26Å; F198-F288 AromaticContact CD1-CG 3.88Å; F198-F288 HydrophobicContact CD1-CG 3.88Å; F198-F288 HydrophobicContact CE1-CB 4Å; F198-F288 HydrophobicContact CE1-CD1 4.11Å; F198-F288 AromaticContact CE1-CD2 3.51Å; F198-F288 HydrophobicContact CE1-CD2 3.51Å; F198-F288 AromaticContact CE1-CE2 3.96Å; F198-F288 HydrophobicContact CE1-CE2 3.96Å; F198-F288 AromaticContact CE1-CG 3.6Å; F198-F288 HydrophobicContact CE1-CG 3.6Å; F198-F288 HydrophobicContact CE1-CZ 4.44Å; F198-F288 HydrophobicContact CZ-CD2 4.25Å; F198-Y296 WeakPolarHBondContact CE2-OH 3.48Å; F198-W505 HydrophobicContact CE1-CZ3 4.23Å; F198-W505 HydrophobicContact CZ-CE3 4.33Å; F198-W505 HydrophobicContact CZ-CH2 4.35Å; F198-W505 AromaticContact CZ-CZ3 3.67Å; F198-W505 HydrophobicContact CZ-CZ3 3.67Å; F198-F508 HydrophobicContact CD2-CB 3.64Å; F198-F508 HydrophobicContact CD2-CD1 4.01Å; F198-F508 HydrophobicContact CD2-CG 4.07Å; F198-F508 HydrophobicContact CE2-CB 3.82Å; F198-F508 HydrophobicContact CE2-CG 4.34Å; F198-F508 HydrophobicContact CG-CB 4.24Å; F198-L509 HydrophobicContact CE1-CD2 4.44Å; F198-Y511 WeakPolarHBondContact O-CB 3.38Å
199	D	93.7	Very high	94.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.149	C	C	.	.			trans	-94.9	149	-173.8	56.3	-47	0	0	0	112.5	T195 P197 Q201 R286	T195-D199 WeakPolarHBondContact OG1-CA 3.19Å; P197-D199 VanDerWaalsContact C-OD1 3.23Å; P197-D199 WeakPolarHBondContact CA-OD1 3.45Å; P197-D199 PolarHBondContact O-N 3.29Å; D199-Q201 PolarHBondContact OD2-NE2 3.1Å; D199-R286 PolarHBondContact O-N 3.04Å; D199-R286 VanDerWaalsContact O-N 3.16Å; D199-R286 WeakPolarHBondContact OD1-CD 3.16Å; D199-R286 IonicContact OD1-CZ 2.85Å; D199-R286 IonicContact OD1-NE 2.95Å; D199-R286 PolarHBondContact OD1-NE 3.22Å; D199-R286 IonicContact OD1-NH2 3.09Å; D199-R286 IonicContact OD2-CZ 3.31Å; D199-R286 IonicContact OD2-NE 2.89Å; D199-R286 PolarHBondContact OD2-NE 3.26Å; D199-R286 IonicContact OD2-NH2 3.24Å; D199-R286 PolarHBondContact OD2-NH2 3.27Å
200	S	94.4	Very high	94.4	Very high	46 Å²	46	36.9 Å²	36.9	32%	0.322	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.2	163.9	-64.4	0	0	0	0	108.7	L284	S200-L284 CarbonylContact C-O 3.55Å; S200-L284 WeakPolarHBondContact CA-O 3.48Å
201	Q	95.2	Very high	94.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.6	-175	-59.4	-55.5	-26.8	0	0	110.7	M191 T192 D199 F255 L284	M191-Q201 HydrophobicContact CB-CG 4.33Å; M191-Q201 HydrophobicContact CG-CB 4.47Å; M191-Q201 HydrophobicContact CG-CG 4.13Å; M191-Q201 HydrophobicContact SD-CG 4.41Å; T192-Q201 PolarHBondContact O-NE2 3.47Å; D199-Q201 PolarHBondContact OD2-NE2 3.1Å; Q201-F255 HydrophobicContact CG-CE1 4.16Å; Q201-L284 PolarHBondContact N-O 2.71Å; Q201-L284 PolarHBondContact O-N 3.15Å
202	H	95.6	Very high	94	Very high	101 Å²	101	34 Å²	34	47%	0.468	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	102.1	177.5	-55.4	-64.8	0	0	0	108.6	V281 F282 H283	H202-V281 HydrophobicContact CB-CG1 4.24Å; H202-F282 WeakPolarHBondContact CA-O 3.11Å; H202-H283 AromaticContact CE1-CE1 3.63Å; H202-H283 AromaticContact CE1-ND1 3.04Å; H202-H283 PolarHBondContact CE1-ND1 2.77Å; H202-H283 AromaticContact ND1-CE1 3.37Å; H202-H283 PolarHBondContact ND1-CE1 2.85Å; H202-H283 AromaticContact ND1-CG 3.84Å; H202-H283 AromaticContact ND1-ND1 2.81Å; H202-H283 PolarHBondContact ND1-ND1 2.82Å
203	C	96.4	Very high	94	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.7	179.6	-66.3	0	0	0	0	110.2	F109 C189 F282 L284	F109-C203 HydrophobicContact CD1-CB 3.86Å; F109-C203 HydrophobicContact CE1-CB 3.67Å; F109-C203 HydrophobicContact CG-CB 4.49Å; F109-C203 HydrophobicContact CZ-CB 4.17Å; C189-C203 HydrophobicContact CB-CB 3.79Å; C189-C203 WeakPolarHBondContact CB-SG 3.45Å; C189-C203 WeakPolarHBondContact SG-CA 3.29Å; C189-C203 WeakPolarHBondContact SG-CB 3.35Å; C189-C203 CovalentContact SG-SG 2.05Å; C189-C203 PolarHBondContact SG-SG 3.12Å; C203-F282 PolarHBondContact N-O 2.91Å; C203-F282 WeakPolarHBondContact O-CD2 3.11Å; C203-F282 PolarHBondContact O-N 2.91Å; C203-L284 HydrophobicContact CB-CD1 4.08Å
204	T	96	Very high	93.9	Very high	31 Å²	31	35.9 Å²	35.9	19%	0.19	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.6	-172.4	75.9	0	0	0	0	113.1	F109 N153 E279 A280 V281	F109-T204 WeakPolarHBondContact CZ-O 3.43Å; N153-T204 PolarHBondContact ND2-O 2.89Å; T204-E279 WeakPolarHBondContact CB-OE1 3.34Å; T204-E279 HydrophobicContact CG2-CG 4.2Å; T204-E279 WeakPolarHBondContact CG2-OE1 3.5Å; T204-E279 PolarHBondContact OG1-OE1 3.35Å; T204-A280 CarbonylContact C-O 3.56Å; T204-A280 WeakPolarHBondContact CA-O 3.49Å; T204-V281 HydrophobicContact CG2-CB 4.29Å; T204-V281 HydrophobicContact CG2-CG1 4.15Å; T204-V281 HydrophobicContact CG2-CG2 3.81Å
205	I	96.5	Very high	93.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109	162.7	-62.5	173.8	0	0	0	106	I96 F109 V111 F151 L187 I207 E279 A280 F282	I96-I205 HydrophobicContact CD1-CD1 4.06Å; F109-I205 HydrophobicContact CE2-CG1 4.48Å; F109-I205 HydrophobicContact CZ-CG1 4.21Å; V111-I205 HydrophobicContact CG1-CD1 4.34Å; F151-I205 HydrophobicContact CD1-CG2 3.79Å; F151-I205 HydrophobicContact CE1-CG2 3.7Å; L187-I205 HydrophobicContact CD1-CB 4.31Å; L187-I205 HydrophobicContact CD1-CD1 4.4Å; L187-I205 HydrophobicContact CD1-CG1 3.56Å; L187-I205 HydrophobicContact CD1-CG2 4.4Å; I205-I207 HydrophobicContact CG2-CD1 4.11Å; I205-I207 HydrophobicContact CG2-CG1 3.99Å; I205-E279 WeakPolarHBondContact O-CA 3.28Å; I205-A280 HydrophobicContact CB-CB 4.41Å; I205-A280 PolarHBondContact N-O 3.04Å; I205-A280 PolarHBondContact O-N 2.67Å; I205-F282 HydrophobicContact CB-CE2 4.5Å; I205-F282 HydrophobicContact CD1-CE2 3.45Å; I205-F282 VanDerWaalsContact CD1-CE2 3.45Å; I205-F282 HydrophobicContact CD1-CZ 3.84Å; I205-F282 HydrophobicContact CG1-CE2 3.69Å
206	N	95	Very high	93.6	Very high	17 Å²	17	36.4 Å²	36.4	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.9	-177.2	-168.9	-47.4	0	0	0	110.7	F151 R152 N153 C277	F151-N206 CarbonylContact C-O 3.51Å; F151-N206 VanDerWaalsContact CA-O 3.3Å; F151-N206 WeakPolarHBondContact CA-O 3.48Å; R152-N206 HydrophobicContact CB-CB 4.26Å; R152-N206 VanDerWaalsContact CD-OD1 3.28Å; R152-N206 WeakPolarHBondContact CD-OD1 3.34Å; R152-N206 PolarHBondContact N-O 3.19Å; N153-N206 PolarHBondContact OD1-N 3.42Å; N206-C277 PolarHBondContact OD1-SG 2.81Å; N206-C277 VanDerWaalsContact OD1-SG 3.37Å
207	I	95.8	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.7	-174.4	-62.7	172.8	0	0	0	109.5	V92 T94 L115 L149 F151 I205 C277 I278	V92-I207 HydrophobicContact CG1-CD1 4.17Å; T94-I207 HydrophobicContact CG2-CD1 4.3Å; L115-I207 HydrophobicContact CD1-CD1 4.36Å; L149-I207 HydrophobicContact CD1-CG2 3.62Å; L149-I207 HydrophobicContact CD2-CG2 3.64Å; L149-I207 HydrophobicContact CG-CG2 3.45Å; L149-I207 VanDerWaalsContact CG-CG2 3.45Å; F151-I207 HydrophobicContact CD1-CG1 3.83Å; F151-I207 HydrophobicContact CE1-CD1 3.9Å; F151-I207 HydrophobicContact CE1-CG1 3.64Å; I205-I207 HydrophobicContact CG2-CD1 4.11Å; I205-I207 HydrophobicContact CG2-CG1 3.99Å; I207-C277 WeakPolarHBondContact O-CA 3.39Å; I207-I278 HydrophobicContact CB-CD1 4.33Å; I207-I278 HydrophobicContact CB-CG1 3.74Å; I207-I278 HydrophobicContact CG2-CD1 4.26Å; I207-I278 HydrophobicContact CG2-CG1 4.05Å; I207-I278 PolarHBondContact N-O 2.82Å; I207-I278 PolarHBondContact O-N 2.67Å
208	G	94.7	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-178.1	173.5	0	0	0	0	0	113	F150 F219 S276	F150-G208 WeakPolarHBondContact CD1-O 3.37Å; F150-G208 PolarHBondContact N-O 3.07Å; F150-G208 PolarHBondContact O-N 3.15Å; F150-G208 VanDerWaalsContact O-N 3.07Å; G208-F219 WeakPolarHBondContact O-CE2 3.48Å; G208-S276 WeakPolarHBondContact CA-O 3.2Å
209	S	93.7	Very high	93.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.5	174	174	0	0	0	0	109.6	D148 F150 Y212 F275	D148-S209 VanDerWaalsContact CG-OG 3.3Å; D148-S209 WeakPolarHBondContact OD1-CB 3.36Å; D148-S209 PolarHBondContact OD1-OG 3.38Å; D148-S209 PolarHBondContact OD2-OG 3.04Å; F150-S209 VanDerWaalsContact CE1-O 3.25Å; F150-S209 WeakPolarHBondContact CE1-O 3.33Å; S209-Y212 WeakPolarHBondContact OG-CB 3.37Å; S209-Y212 PolarHBondContact OG-N 3.15Å; S209-Y212 VanDerWaalsContact OG-N 3.08Å; S209-Y212 PolarHBondContact OG-O 3.33Å; S209-F275 WeakPolarHBondContact O-CD1 3.4Å
210	Y	91	Very high	93.4	Very high	178 Å²	178	38.4 Å²	38.4	70%	0.698	21%	0.205	S	C	*	.	S	Bend	trans	-79.2	-50.7	-176.7	-174.7	-98.9	0	0	0	111.7	D148 F150	D148-Y210 PolarHBondContact O-N 3.05Å; D148-Y210 PolarHBondContact OD2-N 2.95Å; F150-Y210 HydrophobicContact CD1-CD2 4.48Å; F150-Y210 HydrophobicContact CD2-CD2 4.42Å; F150-Y210 HydrophobicContact CE1-CD2 4.48Å; F150-Y210 HydrophobicContact CE2-CD2 4.35Å; F150-Y210 HydrophobicContact CG-CD2 4.47Å; F150-Y210 HydrophobicContact CZ-CD2 4.38Å
211	G	90.4	Very high	93.3	Very high	54 Å²	54	36.3 Å²	36.3	56%	0.557	19%	0.19	S	C	*	.	S	Bend	trans	-105	-24.9	-173.9	0	0	0	0	0	114.8	D148	D148-G211 WeakPolarHBondContact OD2-CA 3.32Å; D148-G211 PolarHBondContact OD2-N 3.44Å
212	Y	92.1	Very high	93.1	Very high	58 Å²	58	38 Å²	38	23%	0.227	20%	0.196	C	C	.	.			trans	-92.4	127.1	-176.6	-59.8	-76.4	0	0	0	112.4	R62 W145 D148 S209 D216 L217 F275	R62-Y212 HydrophobicContact CB-CE1 4.05Å; R62-Y212 HydrophobicContact CG-CE1 4.41Å; W145-Y212 AromaticContact CZ2-CE2 3.86Å; W145-Y212 HydrophobicContact CZ2-CE2 3.86Å; W145-Y212 AromaticContact NE1-CZ 3.98Å; W145-Y212 PolarHBondContact NE1-OH 3.5Å; W145-Y212 VanDerWaalsContact NE1-OH 3.12Å; D148-Y212 VanDerWaalsContact OD1-CD2 3.3Å; D148-Y212 WeakPolarHBondContact OD1-CD2 3.22Å; S209-Y212 WeakPolarHBondContact OG-CB 3.37Å; S209-Y212 PolarHBondContact OG-N 3.15Å; S209-Y212 VanDerWaalsContact OG-N 3.08Å; S209-Y212 PolarHBondContact OG-O 3.33Å; Y212-D216 HydrophobicContact CD1-CB 4.04Å; Y212-D216 HydrophobicContact CG-CB 4.46Å; Y212-L217 HydrophobicContact CD2-CD1 4Å; Y212-L217 HydrophobicContact CG-CB 4.25Å; Y212-L217 HydrophobicContact CG-CD1 4.38Å; Y212-F275 WeakPolarHBondContact O-CD1 3.44Å; Y212-F275 WeakPolarHBondContact O-CE1 3.44Å
213	S	92.9	Very high	92.5	Very high	23 Å²	23	33.2 Å²	33.2	16%	0.161	17%	0.174	C	C	.	.			trans	-64.9	162.2	171.7	73.3	0	0	0	0	111.4	S215 D216 L217 R274	S213-S215 PolarHBondContact O-N 3.48Å; S213-S215 VanDerWaalsContact O-N 3.15Å; S213-S215 PolarHBondContact OG-OG 3.38Å; S213-D216 PolarHBondContact O-N 3.48Å; S213-D216 PolarHBondContact OG-N 3.47Å; S213-D216 PolarHBondContact OG-OD2 3.18Å; S213-L217 PolarHBondContact O-N 2.99Å; S213-R274 CarbonylContact C-O 3.47Å; S213-R274 WeakPolarHBondContact CA-O 3.11Å
214	K	91.2	Very high	91.7	Very high	105 Å²	105	36 Å²	36	46%	0.457	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.4	175.4	-173.5	176.4	178.8	-179.6	0	112.7	P87 D216 R274	P87-K214 WeakPolarHBondContact CB-O 3.3Å; K214-D216 VanDerWaalsContact C-N 3.31Å; K214-R274 HydrophobicContact CB-CB 4.4Å; K214-R274 PolarHBondContact N-O 3.26Å
215	S	89.3	Confident	90.8	Very high	87 Å²	87	40.2 Å²	40.2	61%	0.608	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.1	174.1	29.6	0	0	0	0	113.5	P87 S213	P87-S215 WeakPolarHBondContact CA-O 3.46Å; P87-S215 WeakPolarHBondContact CB-O 3.47Å; S213-S215 PolarHBondContact O-N 3.48Å; S213-S215 VanDerWaalsContact O-N 3.15Å; S213-S215 PolarHBondContact OG-OG 3.38Å
216	D	91	Very high	90.2	Very high	58 Å²	58	41.7 Å²	41.7	31%	0.31	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-43.5	179.6	-71.4	-59.5	0	0	0	112.6	R62 L88 Y212 S213 K214	R62-D216 IonicContact CZ-OD1 3.86Å; R62-D216 PolarHBondContact NE-O 3.01Å; R62-D216 IonicContact NE-OD1 3.18Å; R62-D216 PolarHBondContact NH1-O 2.95Å; R62-D216 VanDerWaalsContact NH1-O 3.17Å; R62-D216 IonicContact NH2-OD1 3.37Å; R62-D216 PolarHBondContact NH2-OD1 3.12Å; L88-D216 PolarHBondContact N-O 2.89Å; Y212-D216 HydrophobicContact CD1-CB 4.04Å; Y212-D216 HydrophobicContact CG-CB 4.46Å; S213-D216 PolarHBondContact O-N 3.48Å; S213-D216 PolarHBondContact OG-N 3.47Å; S213-D216 PolarHBondContact OG-OD2 3.18Å; K214-D216 VanDerWaalsContact C-N 3.31Å
217	L	92.1	Very high	89.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	128.8	-173.6	-170.1	154.7	0	0	0	110.2	L88 V90 W145 P147 Y212 S213 F219	L88-L217 WeakPolarHBondContact O-CA 3.43Å; V90-L217 HydrophobicContact CG2-CD1 4.03Å; V90-L217 HydrophobicContact CG2-CD2 4.1Å; V90-L217 HydrophobicContact CG2-CG 3.96Å; W145-L217 HydrophobicContact CH2-CD1 3.8Å; W145-L217 HydrophobicContact CZ2-CD1 4.21Å; P147-L217 HydrophobicContact CB-CD1 4.05Å; Y212-L217 HydrophobicContact CD2-CD1 4Å; Y212-L217 HydrophobicContact CG-CB 4.25Å; Y212-L217 HydrophobicContact CG-CD1 4.38Å; S213-L217 PolarHBondContact O-N 2.99Å; L217-F219 HydrophobicContact CD2-CD1 4.08Å; L217-F219 HydrophobicContact CD2-CD2 3.78Å; L217-F219 HydrophobicContact CD2-CE1 3.91Å; L217-F219 HydrophobicContact CD2-CE2 3.58Å; L217-F219 HydrophobicContact CD2-CG 4.01Å; L217-F219 HydrophobicContact CD2-CZ 3.65Å
218	E	92.3	Very high	89.1	Confident	25 Å²	25	43.4 Å²	43.4	12%	0.117	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.6	175.8	-167.4	-174.6	154.7	0	0	110.1	P87 L88 I89 V90 R220	P87-E218 HydrophobicContact CB-CB 4.15Å; P87-E218 HydrophobicContact CG-CB 4.09Å; L88-E218 PolarHBondContact O-N 3.37Å; I89-E218 WeakPolarHBondContact CA-O 3.33Å; I89-E218 HydrophobicContact CD1-CB 3.83Å; V90-E218 PolarHBondContact N-O 3.31Å; E218-R220 VanDerWaalsContact CD-NE 3.35Å; E218-R220 HydrophobicContact CG-CG 4.37Å; E218-R220 IonicContact OE1-CZ 2.82Å; E218-R220 IonicContact OE1-NE 3.97Å; E218-R220 PolarHBondContact OE1-NE 3.36Å; E218-R220 IonicContact OE1-NH2 3.17Å; E218-R220 PolarHBondContact OE1-NH2 3.46Å; E218-R220 IonicContact OE2-CZ 2.67Å; E218-R220 IonicContact OE2-NE 2.67Å; E218-R220 IonicContact OE2-NH2 3.04Å; E218-R220 PolarHBondContact OE2-NH2 2.89Å; E218-R220 VanDerWaalsContact OE2-NH2 3.15Å
219	F	93.5	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.1	171.2	-75	-61.2	0	0	0	110.5	V90 V92 P147 L149 G208 L217 S276 I278	V90-F219 HydrophobicContact CB-CD1 3.7Å; V90-F219 HydrophobicContact CB-CE1 3.75Å; V90-F219 HydrophobicContact CG1-CD1 3.88Å; V90-F219 HydrophobicContact CG1-CE1 3.65Å; V90-F219 HydrophobicContact CG2-CE1 4.37Å; V90-F219 CarbonylContact O-C 3.45Å; V90-F219 WeakPolarHBondContact O-CA 3.39Å; V92-F219 HydrophobicContact CG2-CD1 3.61Å; V92-F219 HydrophobicContact CG2-CE1 4.16Å; V92-F219 HydrophobicContact CG2-CG 4.44Å; P147-F219 HydrophobicContact CB-CZ 4.48Å; L149-F219 HydrophobicContact CB-CE1 4.21Å; L149-F219 HydrophobicContact CB-CZ 3.77Å; L149-F219 HydrophobicContact CD1-CE1 3.93Å; L149-F219 HydrophobicContact CD1-CZ 4.22Å; L149-F219 HydrophobicContact CG-CE1 4.27Å; L149-F219 HydrophobicContact CG-CZ 4.04Å; G208-F219 WeakPolarHBondContact O-CE2 3.48Å; L217-F219 HydrophobicContact CD2-CD1 4.08Å; L217-F219 HydrophobicContact CD2-CD2 3.78Å; L217-F219 HydrophobicContact CD2-CE1 3.91Å; L217-F219 HydrophobicContact CD2-CE2 3.58Å; L217-F219 HydrophobicContact CD2-CG 4.01Å; L217-F219 HydrophobicContact CD2-CZ 3.65Å; F219-S276 PolarHBondContact N-OG 2.86Å; F219-S276 PolarHBondContact O-OG 3.49Å; F219-I278 HydrophobicContact CB-CD1 4.19Å; F219-I278 HydrophobicContact CB-CG1 4.4Å; F219-I278 HydrophobicContact CB-CG2 4.08Å; F219-I278 WeakPolarHBondContact O-CG2 3.33Å
220	R	92.2	Very high	87.6	Confident	20 Å²	20	47.3 Å²	47.3	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.8	175	-63.4	-170.3	176.6	-172	4.4	111.1	I89 V90 E91 V92 E218 D228 G231 I233 Y264	I89-R220 HydrophobicContact CG2-CB 4.44Å; I89-R220 HydrophobicContact CG2-CG 4.12Å; V90-R220 PolarHBondContact O-N 2.96Å; E91-R220 CarbonylContact C-O 3.53Å; E91-R220 VanDerWaalsContact CA-O 3.27Å; E91-R220 WeakPolarHBondContact CA-O 3.33Å; V92-R220 PolarHBondContact N-O 3.43Å; E218-R220 VanDerWaalsContact CD-NE 3.35Å; E218-R220 HydrophobicContact CG-CG 4.37Å; E218-R220 IonicContact OE1-CZ 2.82Å; E218-R220 IonicContact OE1-NE 3.97Å; E218-R220 PolarHBondContact OE1-NE 3.36Å; E218-R220 IonicContact OE1-NH2 3.17Å; E218-R220 PolarHBondContact OE1-NH2 3.46Å; E218-R220 IonicContact OE2-CZ 2.67Å; E218-R220 IonicContact OE2-NE 2.67Å; E218-R220 IonicContact OE2-NH2 3.04Å; E218-R220 PolarHBondContact OE2-NH2 2.89Å; E218-R220 VanDerWaalsContact OE2-NH2 3.15Å; R220-D228 IonicContact NH1-OD2 3.01Å; R220-D228 PolarHBondContact NH1-OD2 3.34Å; R220-G231 PolarHBondContact NH1-O 3.03Å; R220-G231 PolarHBondContact NH2-O 2.98Å; R220-I233 PolarHBondContact NH1-O 3.02Å; R220-Y264 HydrophobicContact CB-CE1 4.49Å; R220-Y264 HydrophobicContact CG-CE1 4.45Å
221	W	92.5	Very high	86.9	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.4	169.8	-68.3	115	0	0	0	110.6	T94 N223 A243 V244 T262 S263 Y264 I278 E279 A280	T94-W221 HydrophobicContact CG2-CZ3 4.48Å; W221-N223 PolarHBondContact O-N 3.45Å; W221-A243 HydrophobicContact CB-CB 3.67Å; W221-A243 HydrophobicContact CD2-CB 3.61Å; W221-A243 HydrophobicContact CE3-CB 3.58Å; W221-A243 HydrophobicContact CG-CB 3.66Å; W221-A243 HydrophobicContact CZ3-CB 4.42Å; W221-V244 HydrophobicContact CH2-CG2 4.49Å; W221-V244 HydrophobicContact CZ3-CG2 4.42Å; W221-T262 HydrophobicContact CZ2-CG2 4.21Å; W221-S263 PolarHBondContact NE1-O 2.9Å; W221-Y264 AromaticContact CD1-CE2 3.85Å; W221-Y264 AromaticContact CD1-CZ 3.65Å; W221-I278 HydrophobicContact CD2-CD1 4.22Å; W221-I278 HydrophobicContact CE3-CD1 4.12Å; W221-I278 HydrophobicContact CH2-CD1 4.03Å; W221-I278 HydrophobicContact CH2-CG1 4.22Å; W221-I278 HydrophobicContact CZ2-CB 3.8Å; W221-I278 HydrophobicContact CZ2-CD1 4.11Å; W221-I278 HydrophobicContact CZ2-CG1 4Å; W221-I278 HydrophobicContact CZ3-CD1 4.04Å; W221-E279 WeakPolarHBondContact CZ2-O 3.47Å; W221-A280 HydrophobicContact CH2-CB 4.03Å; W221-A280 HydrophobicContact CZ2-CB 4.34Å
222	W	90.5	Very high	86.1	Confident	36 Å²	36	43.6 Å²	43.6	14%	0.136	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-64	123.5	179.7	-166.4	-51	0	0	0	111.2	V92 N93 R116 R118 T178 M242	V92-W222 PolarHBondContact O-N 3.33Å; N93-W222 HydrophobicContact CB-CB 3.79Å; N93-W222 HydrophobicContact CB-CD2 4.05Å; N93-W222 HydrophobicContact CB-CE3 3.63Å; N93-W222 HydrophobicContact CB-CG 4.17Å; N93-W222 HydrophobicContact CB-CZ3 4.49Å; R116-W222 HydrophobicContact CB-CE3 4.49Å; R116-W222 HydrophobicContact CB-CZ3 4.05Å; R118-W222 HydrophobicContact CB-CE3 4.13Å; R118-W222 HydrophobicContact CB-CH2 3.89Å; R118-W222 HydrophobicContact CB-CZ3 3.65Å; R118-W222 HydrophobicContact CG-CH2 4.34Å; R118-W222 VanDerWaalsContact CZ-CE2 3.46Å; R118-W222 VanDerWaalsContact CZ-CZ2 3.49Å; T178-W222 HydrophobicContact CG2-CH2 3.77Å; T178-W222 HydrophobicContact CG2-CZ3 4.16Å; W222-M242 VanDerWaalsContact CD1-CE 3.41Å
223	N	84	Confident	85.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-92	146	-179.6	-167.3	19.3	0	0	0	113.2	W221 D225 S239 M242	W221-N223 PolarHBondContact O-N 3.45Å; N223-D225 VanDerWaalsContact C-N 3.3Å; N223-D225 PolarHBondContact ND2-OD2 3.5Å; N223-D225 VanDerWaalsContact ND2-OD2 3.12Å; N223-D225 PolarHBondContact O-N 2.96Å; N223-D225 PolarHBondContact OD1-OD2 3.41Å; N223-S239 PolarHBondContact OD1-N 2.89Å; N223-S239 PolarHBondContact OD1-O 2.88Å; N223-M242 WeakPolarHBondContact O-CE 3.43Å
224	T	79.9	Confident	84	Confident	60 Å²	60	45.4 Å²	45.4	37%	0.368	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.6	173.2	44.9	0	0	0	0	113.7	G226 S239 S241 M242	T224-G226 PolarHBondContact O-N 2.93Å; T224-S239 VanDerWaalsContact OG1-CB 3.29Å; T224-S239 WeakPolarHBondContact OG1-CB 3.46Å; T224-S239 PolarHBondContact OG1-OG 3.47Å; T224-S239 VanDerWaalsContact OG1-OG 3.12Å; T224-S241 WeakPolarHBondContact CG2-OG 3.34Å; T224-M242 HydrophobicContact CG2-CB 4.49Å; T224-M242 HydrophobicContact CG2-CE 3.74Å; T224-M242 HydrophobicContact CG2-CG 3.6Å; T224-M242 HydrophobicContact CG2-SD 3.85Å
225	D	77.6	Confident	83	Confident	119 Å²	119	42.5 Å²	42.5	64%	0.636	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	3	-165.1	-42.5	-35.6	0	0	0	113.3	N223	N223-D225 VanDerWaalsContact C-N 3.3Å; N223-D225 PolarHBondContact ND2-OD2 3.5Å; N223-D225 VanDerWaalsContact ND2-OD2 3.12Å; N223-D225 PolarHBondContact O-N 2.96Å; N223-D225 PolarHBondContact OD1-OD2 3.41Å
226	G	82.4	Confident	81.9	Confident	32 Å²	32	43.3 Å²	43.3	33%	0.33	24%	0.242	S	C	.	.			trans	126.1	-177	-178	0	0	0	0	0	112.6	R118 T224	R118-G226 PolarHBondContact NH2-O 2.57Å; T224-G226 PolarHBondContact O-N 2.93Å
227	Y	85.4	Confident	80.4	Confident	41 Å²	41	46.2 Å²	46.2	16%	0.161	26%	0.257	C	S	.	.			trans	-86.9	120.1	175.7	176.5	-105.4	0	0	0	109.9	I89 E91 R118 L120 L176 Q229	I89-Y227 PolarHBondContact O-OH 2.69Å; E91-Y227 HydrophobicContact CG-CD2 4.07Å; E91-Y227 HydrophobicContact CG-CE2 4.14Å; E91-Y227 WeakPolarHBondContact OE2-CD2 3.45Å; R118-Y227 HydrophobicContact CG-CD2 3.95Å; R118-Y227 HydrophobicContact CG-CE2 4.3Å; L120-Y227 HydrophobicContact CB-CD1 4.44Å; L120-Y227 HydrophobicContact CB-CE1 3.52Å; L120-Y227 PolarHBondContact N-OH 2.86Å; L176-Y227 HydrophobicContact CD1-CD1 3.66Å; L176-Y227 HydrophobicContact CD1-CD2 3.86Å; L176-Y227 HydrophobicContact CD1-CE1 3.9Å; L176-Y227 HydrophobicContact CD1-CE2 4.1Å; L176-Y227 HydrophobicContact CD1-CG 3.64Å; Y227-Q229 HydrophobicContact CD1-CB 3.98Å; Y227-Q229 HydrophobicContact CE1-CB 3.85Å; Y227-Q229 HydrophobicContact CE1-CG 4.3Å; Y227-Q229 PolarHBondContact O-N 2.71Å
228	D	83	Confident	79	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.064	26%	0.26	C	S	.	.			trans	-83.4	78.6	179.7	-176.3	15.5	0	0	0	111.5	E91 R220 F230 G231 L232 I233	E91-D228 PolarHBondContact OE1-N 3.03Å; R220-D228 IonicContact NH1-OD2 3.01Å; R220-D228 PolarHBondContact NH1-OD2 3.34Å; D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 PolarHBondContact O-N 3.42Å; D228-G231 VanDerWaalsContact CG-CA 3.44Å; D228-G231 PolarHBondContact O-N 2.89Å; D228-G231 WeakPolarHBondContact OD1-CA 3.39Å; D228-G231 PolarHBondContact OD1-N 3.43Å; D228-G231 WeakPolarHBondContact OD2-CA 3.47Å; D228-L232 PolarHBondContact OD1-N 3.46Å; D228-L232 PolarHBondContact OD2-N 3.03Å; D228-L232 VanDerWaalsContact OD2-N 3.12Å; D228-I233 HydrophobicContact CB-CD1 3.94Å; D228-I233 HydrophobicContact CB-CG1 4.18Å; D228-I233 WeakPolarHBondContact OD2-CB 3.49Å; D228-I233 PolarHBondContact OD2-N 2.88Å
229	Q	79	Confident	77.6	Confident	34 Å²	34	47.7 Å²	47.7	16%	0.159	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-39.7	-175.5	179.5	-176.7	-17.3	0	0	114.1	N65 L120 Y227	N65-Q229 PolarHBondContact ND2-O 3.42Å; L120-Q229 HydrophobicContact CD2-CG 3.55Å; L120-Q229 VanDerWaalsContact CD2-NE2 3.33Å; Y227-Q229 HydrophobicContact CD1-CB 3.98Å; Y227-Q229 HydrophobicContact CE1-CB 3.85Å; Y227-Q229 HydrophobicContact CE1-CG 4.3Å; Y227-Q229 PolarHBondContact O-N 2.71Å
230	F	77.8	Confident	76.6	Confident	48 Å²	48	52.2 Å²	52.2	21%	0.211	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	3.4	-173.7	-60.6	-66.9	0	0	0	112.6	Q67 I69 Y84 D228 L232	Q67-F230 HydrophobicContact CB-CE1 4.24Å; Q67-F230 HydrophobicContact CB-CZ 4.3Å; I69-F230 HydrophobicContact CD1-CD1 4.39Å; I69-F230 HydrophobicContact CG1-CD1 4.29Å; I69-F230 HydrophobicContact CG1-CE1 4.03Å; Y84-F230 HydrophobicContact CD1-CD1 4.28Å; Y84-F230 HydrophobicContact CD2-CD1 4.31Å; Y84-F230 HydrophobicContact CG-CD1 4.04Å; Y84-F230 PolarHBondContact OH-O 3.45Å; D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 PolarHBondContact O-N 3.42Å; F230-L232 HydrophobicContact CB-CD1 3.85Å; F230-L232 HydrophobicContact CB-CG 3.72Å; F230-L232 HydrophobicContact CD2-CD1 4.42Å; F230-L232 PolarHBondContact O-N 2.79Å
231	G	76.3	Confident	75.4	Confident	15 Å²	15	54.5 Å²	54.5	16%	0.155	31%	0.305	C	S	.	.			trans	64.7	22.4	-179.3	0	0	0	0	0	114.3	R220 D228 I233	R220-G231 PolarHBondContact NH1-O 3.03Å; R220-G231 PolarHBondContact NH2-O 2.98Å; D228-G231 VanDerWaalsContact CG-CA 3.44Å; D228-G231 PolarHBondContact O-N 2.89Å; D228-G231 WeakPolarHBondContact OD1-CA 3.39Å; D228-G231 PolarHBondContact OD1-N 3.43Å; D228-G231 WeakPolarHBondContact OD2-CA 3.47Å; G231-I233 VanDerWaalsContact C-N 3.29Å; G231-I233 PolarHBondContact O-N 3.27Å
232	L	72.6	Confident	74.9	Confident	139 Å²	139	56.8 Å²	56.8	73%	0.728	32%	0.317	S	S	*	.			trans	-74.5	-19.5	-171.7	-68.1	169.8	0	0	0	112.9	D228 F230 P234	D228-L232 PolarHBondContact OD1-N 3.46Å; D228-L232 PolarHBondContact OD2-N 3.03Å; D228-L232 VanDerWaalsContact OD2-N 3.12Å; F230-L232 HydrophobicContact CB-CD1 3.85Å; F230-L232 HydrophobicContact CB-CG 3.72Å; F230-L232 HydrophobicContact CD2-CD1 4.42Å; F230-L232 PolarHBondContact O-N 2.79Å; L232-P234 WeakPolarHBondContact O-CD 3.25Å
233	I	72	Confident	74.7	Confident	51 Å²	51	55.1 Å²	55.1	26%	0.262	31%	0.31	S	S	.	.	S	Bend	trans	-82.5	116.8	-179.6	-51.2	177.8	0	0	0	108.2	R220 D228 G231 T235 Q238	R220-I233 PolarHBondContact NH1-O 3.02Å; D228-I233 HydrophobicContact CB-CD1 3.94Å; D228-I233 HydrophobicContact CB-CG1 4.18Å; D228-I233 WeakPolarHBondContact OD2-CB 3.49Å; D228-I233 PolarHBondContact OD2-N 2.88Å; G231-I233 VanDerWaalsContact C-N 3.29Å; G231-I233 PolarHBondContact O-N 3.27Å; I233-T235 PolarHBondContact O-N 2.74Å; I233-Q238 HydrophobicContact CB-CG 4.2Å; I233-Q238 HydrophobicContact CG2-CG 3.56Å; I233-Q238 PolarHBondContact O-NE2 3.23Å
234	P	69.2	Low	75.1	Confident	68 Å²	68	55.1 Å²	55.1	44%	0.442	31%	0.31	S	S	.	.			trans	-57.8	134.3	177.5	-22.1	32.9	0	0	0	110.6	L232 T236 N237 Q238	L232-P234 WeakPolarHBondContact O-CD 3.25Å; P234-T236 PolarHBondContact O-N 3.45Å; P234-N237 PolarHBondContact O-N 2.91Å; P234-Q238 PolarHBondContact O-N 3.01Å
235	T	70.3	Confident	75.6	Confident	45 Å²	45	55.2 Å²	55.2	28%	0.276	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.6	178.6	53.7	0	0	0	0	113.5	I233 R240 Y264	I233-T235 PolarHBondContact O-N 2.74Å; T235-R240 PolarHBondContact O-NH2 2.96Å; T235-Y264 HydrophobicContact CG2-CD1 4.25Å; T235-Y264 HydrophobicContact CG2-CE1 3.77Å; T235-Y264 HydrophobicContact CG2-CE2 4.2Å
236	T	67.1	Low	76.3	Confident	103 Å²	103	51.4 Å²	51.4	63%	0.632	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-30.3	173.1	56.3	0	0	0	0	112.9	P234	P234-T236 PolarHBondContact O-N 3.45Å
237	N	58.7	Low	76.7	Confident	120 Å²	120	57.2 Å²	57.2	64%	0.642	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-2.1	-173	-64.5	4.6	0	0	0	112.7	P234 S239	P234-N237 PolarHBondContact O-N 2.91Å; N237-S239 PolarHBondContact O-N 3.23Å
238	Q	62.6	Low	76.8	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.051	33%	0.327	C	S	.	.	S	Bend	trans	-68.3	128.8	177.8	-74.8	177.7	8.5	0	0	110.5	I233 P234 R240 Y264	I233-Q238 HydrophobicContact CB-CG 4.2Å; I233-Q238 HydrophobicContact CG2-CG 3.56Å; I233-Q238 PolarHBondContact O-NE2 3.23Å; P234-Q238 PolarHBondContact O-N 3.01Å; Q238-R240 WeakPolarHBondContact O-CG 3.32Å; Q238-R240 PolarHBondContact O-N 2.97Å; Q238-Y264 PolarHBondContact OE1-OH 3.27Å
239	S	63.9	Low	76.8	Confident	44 Å²	44	63.6 Å²	63.6	31%	0.308	36%	0.361	S	S	.	.			trans	-65	101.9	168.9	173.3	0	0	0	0	108.7	N223 T224 N237 S241	N223-S239 PolarHBondContact OD1-N 2.89Å; N223-S239 PolarHBondContact OD1-O 2.88Å; T224-S239 VanDerWaalsContact OG1-CB 3.29Å; T224-S239 WeakPolarHBondContact OG1-CB 3.46Å; T224-S239 PolarHBondContact OG1-OG 3.47Å; T224-S239 VanDerWaalsContact OG1-OG 3.12Å; N237-S239 PolarHBondContact O-N 3.23Å; S239-S241 PolarHBondContact O-N 3.2Å; S239-S241 PolarHBondContact OG-OG 3.44Å
240	R	71.1	Confident	77.2	Confident	95 Å²	95	63.9 Å²	63.9	36%	0.358	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-79.6	10.5	-178.6	-52.7	-171.9	-167	141.7	10.5	113.4	T235 Q238 M242 A243 T262	T235-R240 PolarHBondContact O-NH2 2.96Å; Q238-R240 WeakPolarHBondContact O-CG 3.32Å; Q238-R240 PolarHBondContact O-N 2.97Å; R240-M242 PolarHBondContact O-N 3.06Å; R240-A243 HydrophobicContact CB-CB 4.17Å; R240-A243 WeakPolarHBondContact O-CB 3.27Å; R240-A243 PolarHBondContact O-N 3.44Å; R240-T262 WeakPolarHBondContact CD-OG1 3.39Å; R240-T262 PolarHBondContact NH1-O 3.29Å
241	S	68.2	Low	77.5	Confident	68 Å²	68	69.8 Å²	69.8	48%	0.476	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-60.1	-26.9	-177.9	56.1	0	0	0	0	113.1	T224 S239	T224-S241 WeakPolarHBondContact CG2-OG 3.34Å; S239-S241 PolarHBondContact O-N 3.2Å; S239-S241 PolarHBondContact OG-OG 3.44Å
242	M	80.9	Confident	78.1	Confident	51 Å²	51	69.7 Å²	69.7	25%	0.251	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-103.6	10.6	175	-62.3	-163.1	-49.2	0	0	114	N93 W222 N223 T224 R240	N93-M242 PolarHBondContact ND2-O 3Å; W222-M242 VanDerWaalsContact CD1-CE 3.41Å; N223-M242 WeakPolarHBondContact O-CE 3.43Å; T224-M242 HydrophobicContact CG2-CB 4.49Å; T224-M242 HydrophobicContact CG2-CE 3.74Å; T224-M242 HydrophobicContact CG2-CG 3.6Å; T224-M242 HydrophobicContact CG2-SD 3.85Å; R240-M242 PolarHBondContact O-N 3.06Å
243	A	86.8	Confident	78.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-55.5	175.4	0	0	0	0	0	111.5	T94 W221 R240 T262	T94-A243 PolarHBondContact N-O 3.28Å; T94-A243 PolarHBondContact OG1-O 3.37Å; W221-A243 HydrophobicContact CB-CB 3.67Å; W221-A243 HydrophobicContact CD2-CB 3.61Å; W221-A243 HydrophobicContact CE3-CB 3.58Å; W221-A243 HydrophobicContact CG-CB 3.66Å; W221-A243 HydrophobicContact CZ3-CB 4.42Å; R240-A243 HydrophobicContact CB-CB 4.17Å; R240-A243 WeakPolarHBondContact O-CB 3.27Å; R240-A243 PolarHBondContact O-N 3.44Å; A243-T262 HydrophobicContact CB-CG2 3.8Å
244	V	91.8	Very high	79.5	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.3	-179.5	-179	0	0	0	0	107.8	T94 I96 W221 I246 Y260 T262 A280 F282	T94-V244 CarbonylContact O-C 3.5Å; T94-V244 WeakPolarHBondContact O-CA 3.45Å; T94-V244 WeakPolarHBondContact OG1-CG2 3.22Å; I96-V244 HydrophobicContact CG1-CG1 4.14Å; W221-V244 HydrophobicContact CH2-CG2 4.49Å; W221-V244 HydrophobicContact CZ3-CG2 4.42Å; V244-I246 HydrophobicContact CG1-CD1 4.42Å; V244-I246 HydrophobicContact CG1-CG1 4.07Å; V244-Y260 HydrophobicContact CB-CD2 3.89Å; V244-Y260 HydrophobicContact CB-CE2 3.89Å; V244-Y260 HydrophobicContact CG1-CD2 4.04Å; V244-Y260 HydrophobicContact CG1-CE2 4.24Å; V244-Y260 PolarHBondContact O-OH 3.45Å; V244-T262 HydrophobicContact CB-CG2 4.31Å; V244-T262 HydrophobicContact CG2-CG2 3.44Å; V244-T262 VanDerWaalsContact CG2-CG2 3.44Å; V244-A280 HydrophobicContact CG2-CB 3.71Å; V244-F282 HydrophobicContact CG1-CE1 4.15Å; V244-F282 HydrophobicContact CG1-CZ 4.23Å
245	Q	91.8	Very high	80.7	Confident	62 Å²	62	68.8 Å²	68.8	29%	0.29	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.8	173	-69.7	173.3	2.5	0	0	108	T94 F95 I96	T94-Q245 PolarHBondContact O-N 3.38Å; F95-Q245 CarbonylContact C-O 3.52Å; F95-Q245 VanDerWaalsContact CA-O 3.31Å; F95-Q245 WeakPolarHBondContact CA-O 3.39Å; F95-Q245 HydrophobicContact CD2-CB 3.5Å; F95-Q245 HydrophobicContact CE2-CB 4.1Å; F95-Q245 HydrophobicContact CG-CB 4.42Å; I96-Q245 PolarHBondContact N-O 3.36Å
246	I	92	Very high	81.7	Confident	40 Å²	40	69.5 Å²	69.5	21%	0.205	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.6	-176.5	-54	-175.1	0	0	0	108	I96 V244 S248 L250 L257 Y260 F282	I96-I246 HydrophobicContact CB-CG1 4.31Å; I96-I246 HydrophobicContact CG1-CG1 4.3Å; V244-I246 HydrophobicContact CG1-CD1 4.42Å; V244-I246 HydrophobicContact CG1-CG1 4.07Å; I246-S248 PolarHBondContact O-N 2.84Å; I246-L250 HydrophobicContact CG2-CB 4.31Å; I246-L250 HydrophobicContact CG2-CD2 3.68Å; I246-L257 HydrophobicContact CD1-CD2 3.48Å; I246-L257 VanDerWaalsContact CD1-CD2 3.48Å; I246-L257 HydrophobicContact CG2-CD2 4.39Å; I246-Y260 HydrophobicContact CD1-CD1 3.45Å; I246-Y260 VanDerWaalsContact CD1-CD1 3.45Å; I246-Y260 HydrophobicContact CD1-CE1 3.82Å; I246-Y260 HydrophobicContact CD1-CG 3.98Å; I246-Y260 HydrophobicContact CG1-CD1 4.4Å; I246-Y260 HydrophobicContact CG1-CE1 4.35Å; I246-F282 HydrophobicContact CD1-CD1 4.5Å; I246-F282 HydrophobicContact CD1-CE1 4.1Å
247	R	91.3	Very high	83	Confident	154 Å²	154	66.9 Å²	66.9	58%	0.581	36%	0.361	S	S	*	.			trans	-56.6	131	172.9	-176.4	-178.8	176.4	178.7	-0.8	110.2	F95 I96	F95-R247 HydrophobicContact CZ-CB 4.41Å; I96-R247 PolarHBondContact O-N 3.06Å
248	S	86.4	Confident	84.5	Confident	111 Å²	111	66.1 Å²	66.1	78%	0.776	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	138.7	174	55.1	0	0	0	0	111.4	I246	I246-S248 PolarHBondContact O-N 2.84Å
249	G	83.6	Confident	85.9	Confident	75 Å²	75	68.1 Å²	68.1	77%	0.773	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	33.5	-179.9	0	0	0	0	0	113.3	E251	G249-E251 PolarHBondContact O-N 3.06Å
250	L	86.1	Confident	87.2	Confident	41 Å²	41	70.5 Å²	70.5	22%	0.215	38%	0.375	C	S	.	.			trans	-66.7	110.6	174.1	177.5	68.8	0	0	0	109.7	F99 I246 I252 L257	F99-L250 HydrophobicContact CD2-CD1 4.34Å; F99-L250 HydrophobicContact CD2-CD2 3.59Å; F99-L250 HydrophobicContact CD2-CG 4.43Å; F99-L250 HydrophobicContact CE2-CD2 3.68Å; I246-L250 HydrophobicContact CG2-CB 4.31Å; I246-L250 HydrophobicContact CG2-CD2 3.68Å; L250-I252 HydrophobicContact CD2-CD1 4.23Å; L250-I252 HydrophobicContact CD2-CG1 4.4Å; L250-I252 HydrophobicContact CG-CG1 4.16Å; L250-L257 HydrophobicContact CD2-CD2 4.15Å
251	E	84	Confident	88.3	Confident	172 Å²	172	70.2 Å²	70.2	80%	0.804	38%	0.381	S	S	*	.			trans	-96.3	128.8	172.8	-66.4	-177.1	169.9	0	0	109.9	G249	G249-E251 PolarHBondContact O-N 3.06Å
252	I	90.2	Very high	89.4	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.062	36%	0.362	C	S	.	.			trans	-120.7	131.7	174	-48.4	175	0	0	0	106.3	F99 I102 L250 F255 L257 L284	F99-I252 HydrophobicContact CB-CD1 4.12Å; F99-I252 HydrophobicContact CB-CG1 4.16Å; F99-I252 HydrophobicContact CB-CG2 4.44Å; F99-I252 HydrophobicContact CD2-CD1 3.75Å; F99-I252 HydrophobicContact CD2-CG1 4.34Å; F99-I252 HydrophobicContact CE2-CD1 4.29Å; F99-I252 HydrophobicContact CG-CD1 3.92Å; F99-I252 HydrophobicContact CG-CG1 4.45Å; I102-I252 HydrophobicContact CD1-CG2 3.6Å; L250-I252 HydrophobicContact CD2-CD1 4.23Å; L250-I252 HydrophobicContact CD2-CG1 4.4Å; L250-I252 HydrophobicContact CG-CG1 4.16Å; I252-F255 WeakPolarHBondContact CB-O 3.48Å; I252-F255 HydrophobicContact CG2-CB 4.09Å; I252-L257 HydrophobicContact CD1-CB 4.26Å; I252-L284 HydrophobicContact CD1-CD2 4Å
253	N	84.5	Confident	89.9	Confident	149 Å²	149	67.2 Å²	67.2	80%	0.797	36%	0.364	S	S	*	.	S	Bend	trans	-57.2	-59.1	-166.8	-65.4	-16.2	0	0	0	113.6
254	E	89.4	Confident	90.1	Very high	88 Å²	88	70 Å²	70	41%	0.411	38%	0.375	S	S	.	.	S	Bend	trans	-99.8	-2.5	-173.2	-65.1	-175.2	-172.8	0	0	113.8	R286 R287	E254-R286 IonicContact OE2-NH1 2.63Å; E254-R287 PolarHBondContact O-N 2.75Å
255	F	93.6	Very high	89.9	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.009	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.3	-171.9	-67.6	-91.7	0	0	0	111.7	I102 V104 Q201 I252 L284 K285 R286	I102-F255 HydrophobicContact CB-CD2 4.21Å; I102-F255 HydrophobicContact CB-CE2 3.97Å; I102-F255 HydrophobicContact CD1-CB 4.26Å; I102-F255 HydrophobicContact CD1-CD2 3.63Å; I102-F255 HydrophobicContact CD1-CE2 4.16Å; I102-F255 HydrophobicContact CD1-CG 4.08Å; I102-F255 HydrophobicContact CG2-CD2 4.17Å; I102-F255 HydrophobicContact CG2-CE2 3.57Å; I102-F255 HydrophobicContact CG2-CZ 4.03Å; V104-F255 HydrophobicContact CG2-CZ 4.33Å; Q201-F255 HydrophobicContact CG-CE1 4.16Å; I252-F255 WeakPolarHBondContact CB-O 3.48Å; I252-F255 HydrophobicContact CG2-CB 4.09Å; F255-L284 HydrophobicContact CB-CB 4.45Å; F255-L284 HydrophobicContact CD1-CB 3.98Å; F255-L284 HydrophobicContact CG-CB 4.47Å; F255-K285 CarbonylContact C-O 3.54Å; F255-K285 WeakPolarHBondContact CA-O 3.29Å; F255-R286 HydrophobicContact CD1-CB 4.13Å; F255-R286 HydrophobicContact CE1-CB 3.99Å; F255-R286 HydrophobicContact CE1-CG 4.35Å
256	D	92.5	Very high	89.6	Confident	60 Å²	60	77.8 Å²	77.8	32%	0.321	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.9	166.5	-69	-52.6	0	0	0	109	L258 L284 K285 R287	D256-L258 PolarHBondContact O-N 3.49Å; D256-L284 CarbonylContact O-C 3.57Å; D256-L284 WeakPolarHBondContact O-CA 3.47Å; D256-K285 PolarHBondContact N-O 3.28Å; D256-K285 PolarHBondContact O-N 2.81Å; D256-R287 VanDerWaalsContact CG-NE 3.29Å; D256-R287 IonicContact OD1-CZ 2.82Å; D256-R287 IonicContact OD1-NE 3.15Å; D256-R287 PolarHBondContact OD1-NE 3.44Å; D256-R287 IonicContact OD1-NH2 3.18Å; D256-R287 PolarHBondContact OD1-NH2 2.85Å; D256-R287 VanDerWaalsContact OD2-CG 3.27Å; D256-R287 WeakPolarHBondContact OD2-CG 3.49Å; D256-R287 IonicContact OD2-CZ 3.35Å; D256-R287 IonicContact OD2-NE 3.76Å; D256-R287 PolarHBondContact OD2-NE 3.38Å
257	L	93.1	Very high	89.4	Confident	48 Å²	48	78.9 Å²	78.9	25%	0.251	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	109	170.5	179.9	68.8	0	0	0	108.7	I246 L250 I252 F282 L284	I246-L257 HydrophobicContact CD1-CD2 3.48Å; I246-L257 VanDerWaalsContact CD1-CD2 3.48Å; I246-L257 HydrophobicContact CG2-CD2 4.39Å; L250-L257 HydrophobicContact CD2-CD2 4.15Å; I252-L257 HydrophobicContact CD1-CB 4.26Å; L257-F282 HydrophobicContact CD1-CB 3.97Å; L257-F282 HydrophobicContact CD1-CD1 4.03Å; L257-F282 HydrophobicContact CD1-CG 4.49Å; L257-L284 HydrophobicContact CB-CD2 4.32Å; L257-L284 HydrophobicContact CD1-CD2 3.8Å
258	L	91	Very high	89.3	Confident	104 Å²	104	77.3 Å²	77.3	55%	0.545	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-49.7	-179.6	-62.4	-178.1	0	0	0	111.8	D256 H283 K285	D256-L258 PolarHBondContact O-N 3.49Å; L258-H283 HydrophobicContact CB-CB 4.42Å; L258-H283 PolarHBondContact N-O 3.48Å; L258-K285 HydrophobicContact CD1-CB 3.82Å; L258-K285 HydrophobicContact CD1-CD 4.08Å; L258-K285 HydrophobicContact CD2-CB 4.01Å; L258-K285 HydrophobicContact CD2-CD 4.04Å; L258-K285 HydrophobicContact CG-CB 3.79Å; L258-K285 HydrophobicContact CG-CD 4.45Å
259	S	91.8	Very high	89.4	Confident	54 Å²	54	76.9 Å²	76.9	38%	0.378	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	168.6	-175.7	61.2	0	0	0	0	110.2	H283	S259-H283 WeakPolarHBondContact O-CB 3.31Å; S259-H283 PolarHBondContact O-N 3.37Å; S259-H283 PolarHBondContact OG-CD2 2.9Å
260	Y	92.3	Very high	89.6	Confident	94 Å²	94	79.9 Å²	79.9	37%	0.369	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.1	171.1	61.8	-86.1	0	0	0	109.2	V244 I246 V281	V244-Y260 HydrophobicContact CB-CD2 3.89Å; V244-Y260 HydrophobicContact CB-CE2 3.89Å; V244-Y260 HydrophobicContact CG1-CD2 4.04Å; V244-Y260 HydrophobicContact CG1-CE2 4.24Å; V244-Y260 PolarHBondContact O-OH 3.45Å; I246-Y260 HydrophobicContact CD1-CD1 3.45Å; I246-Y260 VanDerWaalsContact CD1-CD1 3.45Å; I246-Y260 HydrophobicContact CD1-CE1 3.82Å; I246-Y260 HydrophobicContact CD1-CG 3.98Å; I246-Y260 HydrophobicContact CG1-CD1 4.4Å; I246-Y260 HydrophobicContact CG1-CE1 4.35Å; Y260-V281 CarbonylContact C-O 3.58Å; Y260-V281 WeakPolarHBondContact CA-O 3.5Å
261	D	92.3	Very high	89.8	Confident	89 Å²	89	84.2 Å²	84.2	48%	0.476	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153.9	176	-68.3	-43.9	0	0	0	110.2	A280 V281 H283	D261-A280 CarbonylContact O-C 3.58Å; D261-A280 WeakPolarHBondContact O-CA 3.33Å; D261-V281 HydrophobicContact CB-CB 4.42Å; D261-V281 PolarHBondContact N-O 2.69Å; D261-V281 PolarHBondContact O-N 2.88Å; D261-H283 IonicContact OD2-CD2 3.48Å; D261-H283 IonicContact OD2-CE1 3.07Å; D261-H283 IonicContact OD2-NE2 2.74Å; D261-H283 PolarHBondContact OD2-NE2 3.16Å
262	T	92.4	Very high	90	Very high	14 Å²	14	80.1 Å²	80.1	9%	0.086	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131	174.1	50.8	0	0	0	0	109.5	W221 R240 A243 V244 E279 A280	W221-T262 HydrophobicContact CZ2-CG2 4.21Å; R240-T262 WeakPolarHBondContact CD-OG1 3.39Å; R240-T262 PolarHBondContact NH1-O 3.29Å; A243-T262 HydrophobicContact CB-CG2 3.8Å; V244-T262 HydrophobicContact CB-CG2 4.31Å; V244-T262 HydrophobicContact CG2-CG2 3.44Å; V244-T262 VanDerWaalsContact CG2-CG2 3.44Å; T262-E279 WeakPolarHBondContact CA-O 3.27Å; T262-A280 HydrophobicContact CG2-CB 4.4Å
263	S	90.7	Very high	90	Very high	41 Å²	41	81 Å²	81	29%	0.287	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	169.1	-174.4	75.5	0	0	0	0	111.1	W221 E279	W221-S263 PolarHBondContact NE1-O 2.9Å; S263-E279 PolarHBondContact N-O 2.77Å; S263-E279 PolarHBondContact O-N 3.14Å
264	Y	90.9	Very high	90.5	Very high	58 Å²	58	81.1 Å²	81.1	23%	0.227	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.4	172.4	-62.4	-99.8	0	0	0	107.3	R220 W221 T235 Q238 I278	R220-Y264 HydrophobicContact CB-CE1 4.49Å; R220-Y264 HydrophobicContact CG-CE1 4.45Å; W221-Y264 AromaticContact CD1-CE2 3.85Å; W221-Y264 AromaticContact CD1-CZ 3.65Å; T235-Y264 HydrophobicContact CG2-CD1 4.25Å; T235-Y264 HydrophobicContact CG2-CE1 3.77Å; T235-Y264 HydrophobicContact CG2-CE2 4.2Å; Q238-Y264 PolarHBondContact OE1-OH 3.27Å; Y264-I278 HydrophobicContact CD1-CG2 3.79Å; Y264-I278 HydrophobicContact CE1-CG2 4Å
265	C	88.2	Confident	90.7	Very high	25 Å²	25	77.7 Å²	77.7	17%	0.169	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.2	-180	25.7	0	0	0	0	110.8	M267 C277	C265-M267 HydrophobicContact CB-CE 4.09Å; C265-C277 HydrophobicContact CB-CB 3.81Å; C265-C277 WeakPolarHBondContact CB-SG 3.22Å; C265-C277 PolarHBondContact N-O 3.48Å; C265-C277 WeakPolarHBondContact O-CB 3.08Å; C265-C277 WeakPolarHBondContact SG-CB 3.09Å; C265-C277 PolarHBondContact SG-O 2.88Å; C265-C277 CovalentContact SG-SG 2.02Å; C265-C277 PolarHBondContact SG-SG 3.02Å
266	K	85.7	Confident	90.6	Very high	203 Å²	203	77.9 Å²	77.9	88%	0.883	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.6	172.3	-67.4	-178.7	-177.2	176.9	0	108.2
267	M	86.9	Confident	90.6	Very high	62 Å²	62	75.2 Å²	75.2	31%	0.305	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	115.4	-177.9	-68.9	-70.2	163.3	0	0	109.9	R152 C265 R274 F275 C277	R152-M267 VanDerWaalsContact NH1-CB 3.27Å; R152-M267 PolarHBondContact NH1-SD 3.49Å; R152-M267 VanDerWaalsContact NH1-SD 3.37Å; C265-M267 HydrophobicContact CB-CE 4.09Å; M267-R274 WeakPolarHBondContact O-CA 3.49Å; M267-F275 PolarHBondContact O-N 3.36Å; M267-C277 HydrophobicContact CB-CB 4.19Å; M267-C277 HydrophobicContact CG-CB 3.66Å; M267-C277 VanDerWaalsContact CG-SG 3.55Å
268	E	89.2	Confident	90.6	Very high	121 Å²	121	72.9 Å²	72.9	57%	0.565	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.4	-178.7	-174.3	161.6	-169.3	0	0	108.4	R274	E268-R274 HydrophobicContact CB-CG 4.02Å; E268-R274 HydrophobicContact CG-CG 3.68Å; E268-R274 IonicContact OE1-CZ 2.88Å; E268-R274 VanDerWaalsContact OE1-CZ 3.31Å; E268-R274 IonicContact OE1-NE 2.77Å; E268-R274 PolarHBondContact OE1-NE 3.21Å; E268-R274 VanDerWaalsContact OE1-NE 3.09Å; E268-R274 IonicContact OE1-NH2 3.76Å; E268-R274 PolarHBondContact OE1-NH2 3Å; E268-R274 IonicContact OE2-CZ 3.54Å; E268-R274 IonicContact OE2-NE 3.84Å; E268-R274 PolarHBondContact OE2-NE 3.04Å; E268-R274 IonicContact OE2-NH2 3.29Å; E268-R274 PolarHBondContact OE2-NH2 3.04Å
269	Y	88.3	Confident	90.8	Very high	103 Å²	103	69.8 Å²	69.8	40%	0.404	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.3	175	-61.8	-77.1	0	0	0	108.4	R152 T271 T272 G273 F275	R152-Y269 PolarHBondContact NH1-OH 2.92Å; Y269-T271 PolarHBondContact O-N 3.45Å; Y269-T271 VanDerWaalsContact O-N 3.1Å; Y269-T272 WeakPolarHBondContact CB-OG1 3.31Å; Y269-T272 PolarHBondContact O-N 3.06Å; Y269-G273 PolarHBondContact N-O 2.92Å; Y269-G273 WeakPolarHBondContact O-CA 3.38Å; Y269-G273 PolarHBondContact O-N 3.33Å; Y269-F275 AromaticContact CD2-CD2 3.56Å; Y269-F275 HydrophobicContact CD2-CD2 3.56Å; Y269-F275 AromaticContact CD2-CE2 3.78Å; Y269-F275 HydrophobicContact CD2-CE2 3.78Å; Y269-F275 AromaticContact CE2-CD2 3.94Å; Y269-F275 HydrophobicContact CE2-CD2 3.94Å; Y269-F275 HydrophobicContact CE2-CE2 4.4Å; Y269-F275 HydrophobicContact CE2-CG 4.49Å
270	S	88	Confident	90.9	Very high	137 Å²	137	67.2 Å²	67.2	96%	0.958	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.5	-177.2	-48.9	0	0	0	0	113.6
271	T	91.1	Very high	91.1	Very high	133 Å²	133	63.9 Å²	63.9	82%	0.816	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-37.4	-176.2	50.4	0	0	0	0	113.8	Y269	Y269-T271 PolarHBondContact O-N 3.45Å; Y269-T271 VanDerWaalsContact O-N 3.1Å
272	T	88.7	Confident	91.2	Very high	86 Å²	86	59.6 Å²	59.6	53%	0.528	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-6.8	-171.3	53.6	0	0	0	0	114	Y269 F275	Y269-T272 WeakPolarHBondContact CB-OG1 3.31Å; Y269-T272 PolarHBondContact O-N 3.06Å; T272-F275 WeakPolarHBondContact OG1-CE2 3.17Å
273	G	90.6	Very high	91.3	Very high	29 Å²	29	60.8 Å²	60.8	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.2	-156.7	174.2	0	0	0	0	0	114.7	Y269 F275	Y269-G273 PolarHBondContact N-O 2.92Å; Y269-G273 WeakPolarHBondContact O-CA 3.38Å; Y269-G273 PolarHBondContact O-N 3.33Å; G273-F275 WeakPolarHBondContact O-CD2 3.41Å
274	R	93.9	Very high	91.5	Very high	152 Å²	152	58.8 Å²	58.8	57%	0.574	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.8	-174.7	-67.6	179.9	177.8	129.8	15.3	111.4	S213 K214 M267 E268	S213-R274 CarbonylContact C-O 3.47Å; S213-R274 WeakPolarHBondContact CA-O 3.11Å; K214-R274 HydrophobicContact CB-CB 4.4Å; K214-R274 PolarHBondContact N-O 3.26Å; M267-R274 WeakPolarHBondContact O-CA 3.49Å; E268-R274 HydrophobicContact CB-CG 4.02Å; E268-R274 HydrophobicContact CG-CG 3.68Å; E268-R274 IonicContact OE1-CZ 2.88Å; E268-R274 VanDerWaalsContact OE1-CZ 3.31Å; E268-R274 IonicContact OE1-NE 2.77Å; E268-R274 PolarHBondContact OE1-NE 3.21Å; E268-R274 VanDerWaalsContact OE1-NE 3.09Å; E268-R274 IonicContact OE1-NH2 3.76Å; E268-R274 PolarHBondContact OE1-NH2 3Å; E268-R274 IonicContact OE2-CZ 3.54Å; E268-R274 IonicContact OE2-NE 3.84Å; E268-R274 PolarHBondContact OE2-NE 3.04Å; E268-R274 IonicContact OE2-NH2 3.29Å; E268-R274 PolarHBondContact OE2-NH2 3.04Å
275	F	93.2	Very high	91.7	Very high	16 Å²	16	58 Å²	58	7%	0.07	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.3	179.1	-70.5	-98.4	0	0	0	111.2	S209 Y212 M267 Y269 T272 G273	S209-F275 WeakPolarHBondContact O-CD1 3.4Å; Y212-F275 WeakPolarHBondContact O-CD1 3.44Å; Y212-F275 WeakPolarHBondContact O-CE1 3.44Å; M267-F275 PolarHBondContact O-N 3.36Å; Y269-F275 AromaticContact CD2-CD2 3.56Å; Y269-F275 HydrophobicContact CD2-CD2 3.56Å; Y269-F275 AromaticContact CD2-CE2 3.78Å; Y269-F275 HydrophobicContact CD2-CE2 3.78Å; Y269-F275 AromaticContact CE2-CD2 3.94Å; Y269-F275 HydrophobicContact CE2-CD2 3.94Å; Y269-F275 HydrophobicContact CE2-CE2 4.4Å; Y269-F275 HydrophobicContact CE2-CG 4.49Å; T272-F275 WeakPolarHBondContact OG1-CE2 3.17Å; G273-F275 WeakPolarHBondContact O-CD2 3.41Å
276	S	91.9	Very high	91.9	Very high	7 Å²	7	56.8 Å²	56.8	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.5	171.4	-165.1	0	0	0	0	110.7	G208 F219	G208-S276 WeakPolarHBondContact CA-O 3.2Å; F219-S276 PolarHBondContact N-OG 2.86Å; F219-S276 PolarHBondContact O-OG 3.49Å
277	C	92.4	Very high	92.3	Very high	3 Å²	3	53 Å²	53	2%	0.02	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	125.5	-177.2	-176.1	0	0	0	0	109.5	N206 I207 C265 M267	N206-C277 PolarHBondContact OD1-SG 2.81Å; N206-C277 VanDerWaalsContact OD1-SG 3.37Å; I207-C277 WeakPolarHBondContact O-CA 3.39Å; C265-C277 HydrophobicContact CB-CB 3.81Å; C265-C277 WeakPolarHBondContact CB-SG 3.22Å; C265-C277 PolarHBondContact N-O 3.48Å; C265-C277 WeakPolarHBondContact O-CB 3.08Å; C265-C277 WeakPolarHBondContact SG-CB 3.09Å; C265-C277 PolarHBondContact SG-O 2.88Å; C265-C277 CovalentContact SG-SG 2.02Å; C265-C277 PolarHBondContact SG-SG 3.02Å; M267-C277 HydrophobicContact CB-CB 4.19Å; M267-C277 HydrophobicContact CG-CB 3.66Å; M267-C277 VanDerWaalsContact CG-SG 3.55Å
278	I	93.9	Very high	92.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.9	172.6	64.3	177.3	0	0	0	108.7	V92 I207 F219 W221 Y264	V92-I278 HydrophobicContact CB-CD1 3.61Å; V92-I278 HydrophobicContact CG1-CD1 4.04Å; V92-I278 HydrophobicContact CG2-CD1 3.79Å; I207-I278 HydrophobicContact CB-CD1 4.33Å; I207-I278 HydrophobicContact CB-CG1 3.74Å; I207-I278 HydrophobicContact CG2-CD1 4.26Å; I207-I278 HydrophobicContact CG2-CG1 4.05Å; I207-I278 PolarHBondContact N-O 2.82Å; I207-I278 PolarHBondContact O-N 2.67Å; F219-I278 HydrophobicContact CB-CD1 4.19Å; F219-I278 HydrophobicContact CB-CG1 4.4Å; F219-I278 HydrophobicContact CB-CG2 4.08Å; F219-I278 WeakPolarHBondContact O-CG2 3.33Å; W221-I278 HydrophobicContact CD2-CD1 4.22Å; W221-I278 HydrophobicContact CE3-CD1 4.12Å; W221-I278 HydrophobicContact CH2-CD1 4.03Å; W221-I278 HydrophobicContact CH2-CG1 4.22Å; W221-I278 HydrophobicContact CZ2-CB 3.8Å; W221-I278 HydrophobicContact CZ2-CD1 4.11Å; W221-I278 HydrophobicContact CZ2-CG1 4Å; W221-I278 HydrophobicContact CZ3-CD1 4.04Å; Y264-I278 HydrophobicContact CD1-CG2 3.79Å; Y264-I278 HydrophobicContact CE1-CG2 4Å
279	E	94.1	Very high	92.6	Very high	38 Å²	38	48.2 Å²	48.2	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133	-175.1	-176.2	171.7	-122.5	0	0	111.3	T204 I205 W221 T262 S263 V281	T204-E279 WeakPolarHBondContact CB-OE1 3.34Å; T204-E279 HydrophobicContact CG2-CG 4.2Å; T204-E279 WeakPolarHBondContact CG2-OE1 3.5Å; T204-E279 PolarHBondContact OG1-OE1 3.35Å; I205-E279 WeakPolarHBondContact O-CA 3.28Å; W221-E279 WeakPolarHBondContact CZ2-O 3.47Å; T262-E279 WeakPolarHBondContact CA-O 3.27Å; S263-E279 PolarHBondContact N-O 2.77Å; S263-E279 PolarHBondContact O-N 3.14Å; E279-V281 HydrophobicContact CG-CG2 4.08Å
280	A	95	Very high	92.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125	168.4	0	0	0	0	0	108.7	T204 I205 W221 V244 D261 T262 F282	T204-A280 CarbonylContact C-O 3.56Å; T204-A280 WeakPolarHBondContact CA-O 3.49Å; I205-A280 HydrophobicContact CB-CB 4.41Å; I205-A280 PolarHBondContact N-O 3.04Å; I205-A280 PolarHBondContact O-N 2.67Å; W221-A280 HydrophobicContact CH2-CB 4.03Å; W221-A280 HydrophobicContact CZ2-CB 4.34Å; V244-A280 HydrophobicContact CG2-CB 3.71Å; D261-A280 CarbonylContact O-C 3.58Å; D261-A280 WeakPolarHBondContact O-CA 3.33Å; T262-A280 HydrophobicContact CG2-CB 4.4Å; A280-F282 HydrophobicContact CB-CE2 4.16Å; A280-F282 HydrophobicContact CB-CZ 4.31Å
281	V	95.1	Very high	93	Very high	23 Å²	23	41.8 Å²	41.8	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.3	-177.8	-176.3	0	0	0	0	108.7	H202 T204 Y260 D261 E279	H202-V281 HydrophobicContact CB-CG1 4.24Å; T204-V281 HydrophobicContact CG2-CB 4.29Å; T204-V281 HydrophobicContact CG2-CG1 4.15Å; T204-V281 HydrophobicContact CG2-CG2 3.81Å; Y260-V281 CarbonylContact C-O 3.58Å; Y260-V281 WeakPolarHBondContact CA-O 3.5Å; D261-V281 HydrophobicContact CB-CB 4.42Å; D261-V281 PolarHBondContact N-O 2.69Å; D261-V281 PolarHBondContact O-N 2.88Å; E279-V281 HydrophobicContact CG-CG2 4.08Å
282	F	95	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.3	176.6	-59.7	-83.8	0	0	0	109.7	I96 F99 H202 C203 I205 V244 I246 L257 A280 L284	I96-F282 HydrophobicContact CD1-CZ 4.08Å; I96-F282 HydrophobicContact CG1-CE1 4.16Å; I96-F282 HydrophobicContact CG1-CZ 4.03Å; F99-F282 HydrophobicContact CE1-CG 4.44Å; F99-F282 HydrophobicContact CZ-CB 4.44Å; F99-F282 AromaticContact CZ-CD1 3.78Å; F99-F282 HydrophobicContact CZ-CD1 3.78Å; F99-F282 HydrophobicContact CZ-CD2 4.31Å; F99-F282 HydrophobicContact CZ-CE1 4.08Å; F99-F282 AromaticContact CZ-CG 3.9Å; F99-F282 HydrophobicContact CZ-CG 3.9Å; F99-F282 HydrophobicContact CZ-CZ 4.49Å; H202-F282 WeakPolarHBondContact CA-O 3.11Å; C203-F282 PolarHBondContact N-O 2.91Å; C203-F282 WeakPolarHBondContact O-CD2 3.11Å; C203-F282 PolarHBondContact O-N 2.91Å; I205-F282 HydrophobicContact CB-CE2 4.5Å; I205-F282 HydrophobicContact CD1-CE2 3.45Å; I205-F282 VanDerWaalsContact CD1-CE2 3.45Å; I205-F282 HydrophobicContact CD1-CZ 3.84Å; I205-F282 HydrophobicContact CG1-CE2 3.69Å; V244-F282 HydrophobicContact CG1-CE1 4.15Å; V244-F282 HydrophobicContact CG1-CZ 4.23Å; I246-F282 HydrophobicContact CD1-CD1 4.5Å; I246-F282 HydrophobicContact CD1-CE1 4.1Å; L257-F282 HydrophobicContact CD1-CB 3.97Å; L257-F282 HydrophobicContact CD1-CD1 4.03Å; L257-F282 HydrophobicContact CD1-CG 4.49Å; A280-F282 HydrophobicContact CB-CE2 4.16Å; A280-F282 HydrophobicContact CB-CZ 4.31Å; F282-L284 HydrophobicContact CB-CG 4.4Å
283	H	95	Very high	93.3	Very high	38 Å²	38	39.1 Å²	39.1	18%	0.176	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	103.5	176.7	-63.2	-87.7	0	0	0	109.3	H202 L258 S259 D261	H202-H283 AromaticContact CE1-CE1 3.63Å; H202-H283 AromaticContact CE1-ND1 3.04Å; H202-H283 PolarHBondContact CE1-ND1 2.77Å; H202-H283 AromaticContact ND1-CE1 3.37Å; H202-H283 PolarHBondContact ND1-CE1 2.85Å; H202-H283 AromaticContact ND1-CG 3.84Å; H202-H283 AromaticContact ND1-ND1 2.81Å; H202-H283 PolarHBondContact ND1-ND1 2.82Å; L258-H283 HydrophobicContact CB-CB 4.42Å; L258-H283 PolarHBondContact N-O 3.48Å; S259-H283 WeakPolarHBondContact O-CB 3.31Å; S259-H283 PolarHBondContact O-N 3.37Å; S259-H283 PolarHBondContact OG-CD2 2.9Å; D261-H283 IonicContact OD2-CD2 3.48Å; D261-H283 IonicContact OD2-CE1 3.07Å; D261-H283 IonicContact OD2-NE2 2.74Å; D261-H283 PolarHBondContact OD2-NE2 3.16Å
284	L	94.7	Very high	93.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.3	-174.4	-61.1	168.6	0	0	0	109.5	I102 S200 Q201 C203 I252 F255 D256 L257 F282	I102-L284 HydrophobicContact CD1-CD1 3.98Å; S200-L284 CarbonylContact C-O 3.55Å; S200-L284 WeakPolarHBondContact CA-O 3.48Å; Q201-L284 PolarHBondContact N-O 2.71Å; Q201-L284 PolarHBondContact O-N 3.15Å; C203-L284 HydrophobicContact CB-CD1 4.08Å; I252-L284 HydrophobicContact CD1-CD2 4Å; F255-L284 HydrophobicContact CB-CB 4.45Å; F255-L284 HydrophobicContact CD1-CB 3.98Å; F255-L284 HydrophobicContact CG-CB 4.47Å; D256-L284 CarbonylContact O-C 3.57Å; D256-L284 WeakPolarHBondContact O-CA 3.47Å; L257-L284 HydrophobicContact CB-CD2 4.32Å; L257-L284 HydrophobicContact CD1-CD2 3.8Å; F282-L284 HydrophobicContact CB-CG 4.4Å
285	K	94.1	Very high	93.4	Very high	40 Å²	40	38 Å²	38	17%	0.174	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.8	176.8	-175.8	173.7	-176.3	175.5	0	110.6	F255 D256 L258 Q512	F255-K285 CarbonylContact C-O 3.54Å; F255-K285 WeakPolarHBondContact CA-O 3.29Å; D256-K285 PolarHBondContact N-O 3.28Å; D256-K285 PolarHBondContact O-N 2.81Å; L258-K285 HydrophobicContact CD1-CB 3.82Å; L258-K285 HydrophobicContact CD1-CD 4.08Å; L258-K285 HydrophobicContact CD2-CB 4.01Å; L258-K285 HydrophobicContact CD2-CD 4.04Å; L258-K285 HydrophobicContact CG-CB 3.79Å; L258-K285 HydrophobicContact CG-CD 4.45Å; K285-Q512 PolarHBondContact NZ-O 3.3Å
286	R	94.3	Very high	93.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	140.2	-179.1	-169	-179.3	-55	-77.9	-3.3	111.8	P197 D199 E254 F255 F288	P197-R286 WeakPolarHBondContact O-CD 3.35Å; D199-R286 PolarHBondContact O-N 3.04Å; D199-R286 VanDerWaalsContact O-N 3.16Å; D199-R286 WeakPolarHBondContact OD1-CD 3.16Å; D199-R286 IonicContact OD1-CZ 2.85Å; D199-R286 IonicContact OD1-NE 2.95Å; D199-R286 PolarHBondContact OD1-NE 3.22Å; D199-R286 IonicContact OD1-NH2 3.09Å; D199-R286 IonicContact OD2-CZ 3.31Å; D199-R286 IonicContact OD2-NE 2.89Å; D199-R286 PolarHBondContact OD2-NE 3.26Å; D199-R286 IonicContact OD2-NH2 3.24Å; D199-R286 PolarHBondContact OD2-NH2 3.27Å; E254-R286 IonicContact OE2-NH1 2.63Å; F255-R286 HydrophobicContact CD1-CB 4.13Å; F255-R286 HydrophobicContact CE1-CB 3.99Å; F255-R286 HydrophobicContact CE1-CG 4.35Å; R286-F288 PolarHBondContact O-N 2.94Å
287	R	92.9	Very high	93.6	Very high	122 Å²	122	41.1 Å²	41.1	46%	0.46	20%	0.197	S	C	.	.			trans	-82.8	105.8	168.4	-67.4	-179.1	174.7	-179.6	0.9	110	E254 D256 G289	E254-R287 PolarHBondContact O-N 2.75Å; D256-R287 VanDerWaalsContact CG-NE 3.29Å; D256-R287 IonicContact OD1-CZ 2.82Å; D256-R287 IonicContact OD1-NE 3.15Å; D256-R287 PolarHBondContact OD1-NE 3.44Å; D256-R287 IonicContact OD1-NH2 3.18Å; D256-R287 PolarHBondContact OD1-NH2 2.85Å; D256-R287 VanDerWaalsContact OD2-CG 3.27Å; D256-R287 WeakPolarHBondContact OD2-CG 3.49Å; D256-R287 IonicContact OD2-CZ 3.35Å; D256-R287 IonicContact OD2-NE 3.76Å; D256-R287 PolarHBondContact OD2-NE 3.38Å; R287-G289 VanDerWaalsContact C-N 3.34Å; R287-G289 PolarHBondContact O-N 3.15Å
288	F	91.5	Very high	93.8	Very high	44 Å²	44	43.2 Å²	43.2	19%	0.193	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.7	-176.2	74	-88.6	0	0	0	114.7	P197 F198 R286 F290 Y291 L292 Q512	P197-F288 HydrophobicContact CG-CB 4.36Å; F198-F288 HydrophobicContact CD1-CB 4.06Å; F198-F288 HydrophobicContact CD1-CD1 4.09Å; F198-F288 HydrophobicContact CD1-CD2 4.26Å; F198-F288 AromaticContact CD1-CG 3.88Å; F198-F288 HydrophobicContact CD1-CG 3.88Å; F198-F288 HydrophobicContact CE1-CB 4Å; F198-F288 HydrophobicContact CE1-CD1 4.11Å; F198-F288 AromaticContact CE1-CD2 3.51Å; F198-F288 HydrophobicContact CE1-CD2 3.51Å; F198-F288 AromaticContact CE1-CE2 3.96Å; F198-F288 HydrophobicContact CE1-CE2 3.96Å; F198-F288 AromaticContact CE1-CG 3.6Å; F198-F288 HydrophobicContact CE1-CG 3.6Å; F198-F288 HydrophobicContact CE1-CZ 4.44Å; F198-F288 HydrophobicContact CZ-CD2 4.25Å; R286-F288 PolarHBondContact O-N 2.94Å; F288-F290 VanDerWaalsContact C-N 3.28Å; F288-F290 PolarHBondContact O-N 3.41Å; F288-Y291 PolarHBondContact O-N 2.99Å; F288-L292 HydrophobicContact CD2-CB 4.48Å; F288-L292 HydrophobicContact CD2-CD1 4.44Å; F288-L292 HydrophobicContact CE2-CD1 3.91Å; F288-L292 PolarHBondContact O-N 3.13Å; F288-Q512 HydrophobicContact CD1-CG 4.39Å; F288-Q512 HydrophobicContact CE1-CG 3.89Å
289	G	91.5	Very high	93.9	Very high	39 Å²	39	43.2 Å²	43.2	40%	0.402	21%	0.211	S	C	.	.	H	α-helix	trans	-58.1	-34.2	-172.9	0	0	0	0	0	114.6	R287 L292 I293	R287-G289 VanDerWaalsContact C-N 3.34Å; R287-G289 PolarHBondContact O-N 3.15Å; G289-L292 WeakPolarHBondContact O-CB 3.4Å; G289-L292 PolarHBondContact O-N 2.94Å; G289-I293 PolarHBondContact O-N 3.43Å
290	F	91.5	Very high	94	Very high	95 Å²	95	44.1 Å²	44.1	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-48.1	172.9	172.7	-97.9	0	0	0	111.8	F288 L292 I293 Y294	F288-F290 VanDerWaalsContact C-N 3.28Å; F288-F290 PolarHBondContact O-N 3.41Å; F290-L292 VanDerWaalsContact C-N 3.28Å; F290-L292 PolarHBondContact O-N 3.45Å; F290-I293 PolarHBondContact O-N 3.02Å; F290-Y294 AromaticContact CD2-CD2 3.5Å; F290-Y294 HydrophobicContact CD2-CD2 3.5Å; F290-Y294 VanDerWaalsContact CD2-CD2 3.5Å; F290-Y294 AromaticContact CD2-CE2 3.73Å; F290-Y294 HydrophobicContact CD2-CE2 3.73Å; F290-Y294 AromaticContact CE2-CD2 3.34Å; F290-Y294 HydrophobicContact CE2-CD2 3.34Å; F290-Y294 AromaticContact CE2-CE2 3.57Å; F290-Y294 HydrophobicContact CE2-CE2 3.57Å; F290-Y294 HydrophobicContact CE2-CG 4.13Å; F290-Y294 HydrophobicContact CG-CD2 4.2Å; F290-Y294 AromaticContact CZ-CD2 3.94Å; F290-Y294 HydrophobicContact CZ-CD2 3.94Å; F290-Y294 HydrophobicContact CZ-CG 4.33Å; F290-Y294 WeakPolarHBondContact O-CD2 3.41Å; F290-Y294 PolarHBondContact O-N 3.39Å
291	Y	92.6	Very high	94	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.039	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-32.4	179.5	-64	-82.2	0	0	0	111.7	F196 P197 F288 I293 A295 Y296 I351	F196-Y291 HydrophobicContact CE1-CD1 4.34Å; F196-Y291 AromaticContact CE1-CE1 3.95Å; F196-Y291 HydrophobicContact CE1-CE1 3.95Å; F196-Y291 HydrophobicContact CZ-CD1 4.28Å; F196-Y291 AromaticContact CZ-CE1 3.51Å; F196-Y291 HydrophobicContact CZ-CE1 3.51Å; F196-Y291 HydrophobicContact CZ-CE2 4.21Å; F196-Y291 AromaticContact CZ-CZ 3.47Å; F196-Y291 VanDerWaalsContact CZ-CZ 3.47Å; F196-Y291 WeakPolarHBondContact CZ-OH 3.35Å; P197-Y291 HydrophobicContact CB-CD1 4.43Å; P197-Y291 HydrophobicContact CB-CD2 3.57Å; P197-Y291 HydrophobicContact CB-CE2 4.08Å; P197-Y291 HydrophobicContact CB-CG 3.78Å; P197-Y291 HydrophobicContact CG-CD2 4.2Å; P197-Y291 HydrophobicContact CG-CG 3.99Å; F288-Y291 PolarHBondContact O-N 2.99Å; Y291-I293 VanDerWaalsContact C-N 3.34Å; Y291-I293 PolarHBondContact O-N 2.84Å; Y291-A295 WeakPolarHBondContact O-CA 3.38Å; Y291-A295 WeakPolarHBondContact O-CB 3.49Å; Y291-A295 PolarHBondContact O-N 2.68Å; Y291-Y296 WeakPolarHBondContact O-CD2 3.32Å; Y291-Y296 PolarHBondContact O-N 3.37Å; Y291-I351 HydrophobicContact CD1-CD1 4.4Å
292	L	93.2	Very high	94.1	Very high	67 Å²	67	48.9 Å²	48.9	35%	0.351	24%	0.241	S	C	.	.	I	π-helix	trans	-57.7	-47.1	174.9	-170.7	150.6	0	0	0	111.7	F288 G289 F290 L297 W505	F288-L292 HydrophobicContact CD2-CB 4.48Å; F288-L292 HydrophobicContact CD2-CD1 4.44Å; F288-L292 HydrophobicContact CE2-CD1 3.91Å; F288-L292 PolarHBondContact O-N 3.13Å; G289-L292 WeakPolarHBondContact O-CB 3.4Å; G289-L292 PolarHBondContact O-N 2.94Å; F290-L292 VanDerWaalsContact C-N 3.28Å; F290-L292 PolarHBondContact O-N 3.45Å; L292-L297 WeakPolarHBondContact O-CB 3.44Å; L292-L297 PolarHBondContact O-N 3.48Å; L292-W505 HydrophobicContact CD1-CH2 4.36Å
293	I	93.9	Very high	94.2	Very high	97 Å²	97	49 Å²	49	50%	0.497	24%	0.241	S	C	.	.	I	π-helix	trans	-76.9	-40.4	-176.6	-63.1	172.2	0	0	0	112.1	G289 F290 Y291 P298	G289-I293 PolarHBondContact O-N 3.43Å; F290-I293 PolarHBondContact O-N 3.02Å; Y291-I293 VanDerWaalsContact C-N 3.34Å; Y291-I293 PolarHBondContact O-N 2.84Å; I293-P298 VanDerWaalsContact O-CD 3.29Å; I293-P298 WeakPolarHBondContact O-CD 3.15Å
294	Y	92	Very high	94.2	Very high	154 Å²	154	49.9 Å²	49.9	60%	0.604	25%	0.249	S	C	*	.	I	π-helix	trans	-98.3	-21.1	-171.6	-70.6	-77.3	0	0	0	114.8	F290 Q334	F290-Y294 AromaticContact CD2-CD2 3.5Å; F290-Y294 HydrophobicContact CD2-CD2 3.5Å; F290-Y294 VanDerWaalsContact CD2-CD2 3.5Å; F290-Y294 AromaticContact CD2-CE2 3.73Å; F290-Y294 HydrophobicContact CD2-CE2 3.73Å; F290-Y294 AromaticContact CE2-CD2 3.34Å; F290-Y294 HydrophobicContact CE2-CD2 3.34Å; F290-Y294 AromaticContact CE2-CE2 3.57Å; F290-Y294 HydrophobicContact CE2-CE2 3.57Å; F290-Y294 HydrophobicContact CE2-CG 4.13Å; F290-Y294 HydrophobicContact CG-CD2 4.2Å; F290-Y294 AromaticContact CZ-CD2 3.94Å; F290-Y294 HydrophobicContact CZ-CD2 3.94Å; F290-Y294 HydrophobicContact CZ-CG 4.33Å; F290-Y294 WeakPolarHBondContact O-CD2 3.41Å; F290-Y294 PolarHBondContact O-N 3.39Å; Y294-Q334 PolarHBondContact O-NE2 3.06Å
295	A	93.3	Very high	94.2	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.025	27%	0.268	C	S	.	.	I	π-helix	trans	-108.8	-59.5	177.9	0	0	0	0	0	112	Y291 S299 Q334 I338 I351	Y291-A295 WeakPolarHBondContact O-CA 3.38Å; Y291-A295 WeakPolarHBondContact O-CB 3.49Å; Y291-A295 PolarHBondContact O-N 2.68Å; A295-S299 WeakPolarHBondContact O-CB 3.19Å; A295-S299 PolarHBondContact O-N 2.88Å; A295-S299 PolarHBondContact O-OG 2.81Å; A295-Q334 PolarHBondContact O-NE2 2.81Å; A295-I338 HydrophobicContact CB-CD1 3.8Å; A295-I351 HydrophobicContact CB-CD1 4.04Å
296	Y	95	Very high	94.2	Very high	6 Å²	6	51.6 Å²	51.6	2%	0.024	26%	0.259	C	S	.	.	I	π-helix	trans	-70.6	-46.6	-172.5	-69.7	-86.4	0	0	0	113	P197 F198 Y291 S299 L300 W354 Y504 W505	P197-Y296 WeakPolarHBondContact CD-OH 3.46Å; P197-Y296 HydrophobicContact CG-CE2 4.02Å; F198-Y296 WeakPolarHBondContact CE2-OH 3.48Å; Y291-Y296 WeakPolarHBondContact O-CD2 3.32Å; Y291-Y296 PolarHBondContact O-N 3.37Å; Y296-S299 PolarHBondContact O-N 3.27Å; Y296-S299 PolarHBondContact O-OG 2.88Å; Y296-L300 WeakPolarHBondContact O-CB 3.42Å; Y296-L300 PolarHBondContact O-N 2.05Å; Y296-W354 AromaticContact CD1-CD1 3.89Å; Y296-W354 AromaticContact CD1-CD2 3.51Å; Y296-W354 HydrophobicContact CD1-CD2 3.51Å; Y296-W354 AromaticContact CD1-CE2 3.46Å; Y296-W354 VanDerWaalsContact CD1-CE2 3.46Å; Y296-W354 AromaticContact CD1-CE3 4Å; Y296-W354 HydrophobicContact CD1-CE3 4Å; Y296-W354 AromaticContact CD1-CG 3.81Å; Y296-W354 HydrophobicContact CD1-CG 3.81Å; Y296-W354 HydrophobicContact CD1-CH2 4.33Å; Y296-W354 AromaticContact CD1-CZ2 3.9Å; Y296-W354 HydrophobicContact CD1-CZ2 3.9Å; Y296-W354 HydrophobicContact CD1-CZ3 4.37Å; Y296-W354 AromaticContact CD1-NE1 3.68Å; Y296-W354 HydrophobicContact CE1-CB 4.02Å; Y296-W354 AromaticContact CE1-CD1 3.96Å; Y296-W354 AromaticContact CE1-CD2 3.6Å; Y296-W354 HydrophobicContact CE1-CD2 3.6Å; Y296-W354 AromaticContact CE1-CE3 3.99Å; Y296-W354 HydrophobicContact CE1-CE3 3.99Å; Y296-W354 AromaticContact CE1-CG 3.58Å; Y296-W354 HydrophobicContact CE1-CG 3.58Å; Y296-Y504 HydrophobicContact CD1-CE1 4.49Å; Y296-Y504 AromaticContact CE1-CE1 3.56Å; Y296-Y504 HydrophobicContact CE1-CE1 3.56Å; Y296-Y504 AromaticContact CE1-CZ 3.81Å; Y296-Y504 WeakPolarHBondContact CE1-OH 3.4Å; Y296-Y504 PolarHBondContact OH-OH 3.33Å; Y296-W505 HydrophobicContact CD1-CH2 4.1Å; Y296-W505 AromaticContact CD1-CZ2 3.9Å; Y296-W505 HydrophobicContact CD1-CZ2 3.9Å; Y296-W505 HydrophobicContact CE1-CH2 4.48Å; Y296-W505 HydrophobicContact CE1-CZ2 4.46Å; Y296-W505 HydrophobicContact CG-CH2 4.16Å; Y296-W505 HydrophobicContact CG-CZ2 4.23Å
297	L	95.2	Very high	94.2	Very high	83 Å²	83	55.2 Å²	55.2	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-47.1	-177.4	-178.5	67.6	0	0	0	113.2	L292 S299 L300 L301	L292-L297 WeakPolarHBondContact O-CB 3.44Å; L292-L297 PolarHBondContact O-N 3.48Å; L297-S299 PolarHBondContact O-N 2.89Å; L297-L300 WeakPolarHBondContact O-CB 3.24Å; L297-L300 PolarHBondContact O-N 3.11Å; L297-L301 HydrophobicContact CG-CD1 4.42Å; L297-L301 WeakPolarHBondContact O-CG 2.99Å; L297-L301 PolarHBondContact O-N 3.06Å
298	P	96	Very high	94.1	Very high	47 Å²	47	53.6 Å²	53.6	31%	0.305	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-39.2	178.7	-23.6	36	0	0	0	112.9	I293 L301 L302	I293-P298 VanDerWaalsContact O-CD 3.29Å; I293-P298 WeakPolarHBondContact O-CD 3.15Å; P298-L301 PolarHBondContact O-N 3.43Å; P298-L302 WeakPolarHBondContact O-CG 3.46Å; P298-L302 PolarHBondContact O-N 3.16Å
299	S	96.2	Very high	94.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-37	178	50.5	0	0	0	0	112.1	A295 Y296 L297 L302 V303 W354	A295-S299 WeakPolarHBondContact O-CB 3.19Å; A295-S299 PolarHBondContact O-N 2.88Å; A295-S299 PolarHBondContact O-OG 2.81Å; Y296-S299 PolarHBondContact O-N 3.27Å; Y296-S299 PolarHBondContact O-OG 2.88Å; L297-S299 PolarHBondContact O-N 2.89Å; S299-L302 PolarHBondContact O-N 3.49Å; S299-V303 WeakPolarHBondContact O-CG2 3.33Å; S299-V303 PolarHBondContact O-N 3.04Å; S299-V303 VanDerWaalsContact O-N 3.15Å; S299-W354 PolarHBondContact OG-NE1 2.86Å
300	L	95.9	Very high	94.1	Very high	57 Å²	57	50.5 Å²	50.5	30%	0.298	25%	0.25	S	C	.	.	H	α-helix	trans	-58.9	-48	170.8	-172.1	81.6	0	0	0	111.4	Y296 L297 L302 V303 V304 W354 F497	Y296-L300 WeakPolarHBondContact O-CB 3.42Å; Y296-L300 PolarHBondContact O-N 2.05Å; L297-L300 WeakPolarHBondContact O-CB 3.24Å; L297-L300 PolarHBondContact O-N 3.11Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.36Å; L300-V303 PolarHBondContact O-N 3.27Å; L300-V304 WeakPolarHBondContact O-CG2 3.33Å; L300-V304 PolarHBondContact O-N 3.18Å; L300-W354 HydrophobicContact CD1-CH2 4.22Å; L300-W354 HydrophobicContact CD1-CZ2 4.45Å; L300-F497 HydrophobicContact CD1-CE1 3.49Å; L300-F497 VanDerWaalsContact CD1-CE1 3.49Å; L300-F497 HydrophobicContact CD1-CZ 3.82Å
301	L	95.9	Very high	93.9	Very high	94 Å²	94	52.1 Å²	52.1	49%	0.492	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-37.6	179	-68.5	173.5	0	0	0	112.3	L297 P298 V304 I305	L297-L301 HydrophobicContact CG-CD1 4.42Å; L297-L301 WeakPolarHBondContact O-CG 2.99Å; L297-L301 PolarHBondContact O-N 3.06Å; P298-L301 PolarHBondContact O-N 3.43Å; L301-V304 PolarHBondContact O-N 3.37Å; L301-I305 VanDerWaalsContact O-CG1 3.32Å; L301-I305 WeakPolarHBondContact O-CG1 2.86Å; L301-I305 PolarHBondContact O-N 3.03Å
302	L	96.4	Very high	93.7	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-40	175.4	-70.8	172	0	0	0	112.4	P298 S299 L300 V304 I305 A306 A330 L331	P298-L302 WeakPolarHBondContact O-CG 3.46Å; P298-L302 PolarHBondContact O-N 3.16Å; S299-L302 PolarHBondContact O-N 3.49Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.36Å; L302-V304 VanDerWaalsContact C-N 3.32Å; L302-I305 PolarHBondContact O-N 2.94Å; L302-A306 PolarHBondContact O-N 2.86Å; L302-A330 HydrophobicContact CD1-CB 3.66Å; L302-A330 HydrophobicContact CD2-CB 3.85Å; L302-A330 HydrophobicContact CG-CB 4.44Å; L302-L331 HydrophobicContact CB-CD2 4.38Å; L302-L331 HydrophobicContact CB-CG 4.41Å; L302-L331 HydrophobicContact CD1-CD2 3.76Å; L302-L331 HydrophobicContact CD1-CG 3.86Å
303	V	96.1	Very high	93.2	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-38.1	174.4	175.8	0	0	0	0	110.9	S299 L300 A306 W307 C358 F361 V362 Y493 F497	S299-V303 WeakPolarHBondContact O-CG2 3.33Å; S299-V303 PolarHBondContact O-N 3.04Å; S299-V303 VanDerWaalsContact O-N 3.15Å; L300-V303 PolarHBondContact O-N 3.27Å; V303-A306 PolarHBondContact O-N 2.87Å; V303-W307 PolarHBondContact O-N 2.98Å; V303-C358 HydrophobicContact CG2-CB 3.81Å; V303-F361 HydrophobicContact CG1-CB 4.32Å; V303-V362 HydrophobicContact CG2-CG2 4.29Å; V303-Y493 HydrophobicContact CG1-CE1 3.87Å; V303-F497 HydrophobicContact CB-CE1 4.15Å; V303-F497 HydrophobicContact CB-CE2 4.36Å; V303-F497 HydrophobicContact CB-CZ 3.95Å; V303-F497 HydrophobicContact CG1-CD1 3.86Å; V303-F497 HydrophobicContact CG1-CD2 3.95Å; V303-F497 HydrophobicContact CG1-CE1 3.75Å; V303-F497 HydrophobicContact CG1-CE2 3.87Å; V303-F497 HydrophobicContact CG1-CG 3.95Å; V303-F497 HydrophobicContact CG1-CZ 3.76Å; V303-F497 HydrophobicContact CG2-CE2 4.14Å; V303-F497 HydrophobicContact CG2-CZ 4.03Å
304	V	95.2	Very high	92.5	Very high	57 Å²	57	54 Å²	54	35%	0.345	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-41.8	173.8	173.6	0	0	0	0	111.4	L300 L301 L302 A306 W307 L308	L300-V304 WeakPolarHBondContact O-CG2 3.33Å; L300-V304 PolarHBondContact O-N 3.18Å; L301-V304 PolarHBondContact O-N 3.37Å; L302-V304 VanDerWaalsContact C-N 3.32Å; V304-A306 VanDerWaalsContact C-N 3.33Å; V304-A306 PolarHBondContact O-N 3.4Å; V304-W307 HydrophobicContact CG1-CE3 4.3Å; V304-W307 WeakPolarHBondContact O-CB 3.28Å; V304-W307 PolarHBondContact O-N 3.12Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 2.99Å
305	I	94.8	Very high	91.9	Very high	77 Å²	77	53.3 Å²	53.3	40%	0.395	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-41.6	175.3	-68.7	165	0	0	0	111	L301 L302 W307 L308 S309 I323	L301-I305 VanDerWaalsContact O-CG1 3.32Å; L301-I305 WeakPolarHBondContact O-CG1 2.86Å; L301-I305 PolarHBondContact O-N 3.03Å; L302-I305 PolarHBondContact O-N 2.94Å; I305-W307 VanDerWaalsContact C-N 3.32Å; I305-W307 PolarHBondContact O-N 3.46Å; I305-L308 PolarHBondContact O-N 2.76Å; I305-S309 PolarHBondContact O-N 2.78Å; I305-I323 HydrophobicContact CG2-CG2 3.87Å
306	A	94.7	Very high	91.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-38.4	174.6	0	0	0	0	0	111.9	L302 V303 V304 S309 V362	L302-A306 PolarHBondContact O-N 2.86Å; V303-A306 PolarHBondContact O-N 2.87Å; V304-A306 VanDerWaalsContact C-N 3.33Å; V304-A306 PolarHBondContact O-N 3.4Å; A306-S309 VanDerWaalsContact O-CB 3.31Å; A306-S309 WeakPolarHBondContact O-CB 3.5Å; A306-S309 PolarHBondContact O-N 3.05Å; A306-S309 PolarHBondContact O-OG 3.12Å; A306-V362 HydrophobicContact CB-CB 4.42Å; A306-V362 HydrophobicContact CB-CG1 4.29Å; A306-V362 HydrophobicContact CB-CG2 3.92Å
307	W	93.8	Very high	91.3	Very high	76 Å²	76	56.6 Å²	56.6	29%	0.288	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-39.1	172.5	173.6	50.1	0	0	0	112.7	V303 V304 I305 S309 F310 F311 S490 Y493 P494	V303-W307 PolarHBondContact O-N 2.98Å; V304-W307 HydrophobicContact CG1-CE3 4.3Å; V304-W307 WeakPolarHBondContact O-CB 3.28Å; V304-W307 PolarHBondContact O-N 3.12Å; I305-W307 VanDerWaalsContact C-N 3.32Å; I305-W307 PolarHBondContact O-N 3.46Å; W307-S309 PolarHBondContact O-N 3.17Å; W307-F310 AromaticContact CD1-CD2 3.78Å; W307-F310 WeakPolarHBondContact O-CD2 3.02Å; W307-F310 PolarHBondContact O-N 3.19Å; W307-F311 HydrophobicContact CZ2-CE2 4.31Å; W307-S490 PolarHBondContact NE1-O 3.3Å; W307-Y493 HydrophobicContact CB-CD1 3.74Å; W307-Y493 HydrophobicContact CB-CE1 3.69Å; W307-Y493 AromaticContact CD1-CD1 3.87Å; W307-Y493 HydrophobicContact CG-CD1 4.02Å; W307-Y493 HydrophobicContact CG-CE1 4.45Å; W307-P494 HydrophobicContact CD2-CB 4.39Å; W307-P494 HydrophobicContact CZ2-CB 4.23Å; W307-P494 HydrophobicContact CZ2-CG 3.95Å
308	L	91.8	Very high	91.2	Very high	88 Å²	88	57.1 Å²	57.1	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-20.9	177.3	-68.5	175.8	0	0	0	113.2	V304 I305 F310 F311	V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 2.99Å; I305-L308 PolarHBondContact O-N 2.76Å; L308-F310 PolarHBondContact O-N 3.3Å; L308-F311 HydrophobicContact CD2-CD2 4.41Å; L308-F311 PolarHBondContact O-N 2.8Å; L308-F311 VanDerWaalsContact O-N 3.1Å
309	S	90.9	Very high	91	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.063	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.2	-24.3	177.7	76.7	0	0	0	0	113.7	I305 A306 W307 F311 V312	I305-S309 PolarHBondContact O-N 2.78Å; A306-S309 VanDerWaalsContact O-CB 3.31Å; A306-S309 WeakPolarHBondContact O-CB 3.5Å; A306-S309 PolarHBondContact O-N 3.05Å; A306-S309 PolarHBondContact O-OG 3.12Å; W307-S309 PolarHBondContact O-N 3.17Å; S309-F311 PolarHBondContact O-N 2.87Å; S309-V312 PolarHBondContact O-N 3.21Å
310	F	90.8	Very high	90.7	Very high	10 Å²	10	57.3 Å²	57.3	4%	0.044	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-70	-19.9	176.5	-56.9	-55.8	0	0	0	113.3	W307 L308 E368 W489 Y493	W307-F310 AromaticContact CD1-CD2 3.78Å; W307-F310 WeakPolarHBondContact O-CD2 3.02Å; W307-F310 PolarHBondContact O-N 3.19Å; L308-F310 PolarHBondContact O-N 3.3Å; F310-E368 HydrophobicContact CD1-CG 4.47Å; F310-E368 HydrophobicContact CE1-CB 4.08Å; F310-E368 HydrophobicContact CE1-CG 3.88Å; F310-W489 HydrophobicContact CD1-CB 4.42Å; F310-W489 HydrophobicContact CE1-CB 4.21Å; F310-W489 HydrophobicContact CZ-CB 4.36Å; F310-Y493 HydrophobicContact CE2-CD1 4.21Å; F310-Y493 AromaticContact CE2-CD2 3.61Å; F310-Y493 HydrophobicContact CE2-CD2 3.61Å; F310-Y493 HydrophobicContact CE2-CE2 4.11Å; F310-Y493 AromaticContact CE2-CG 3.64Å; F310-Y493 HydrophobicContact CE2-CG 3.64Å; F310-Y493 AromaticContact CZ-CD2 3.75Å; F310-Y493 HydrophobicContact CZ-CD2 3.75Å; F310-Y493 HydrophobicContact CZ-CE2 4.12Å; F310-Y493 HydrophobicContact CZ-CG 4.25Å
311	F	88.4	Confident	90.6	Very high	129 Å²	129	57.4 Å²	57.4	57%	0.566	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-87.4	-13.3	177.7	-68.9	-83.8	0	0	0	113.5	W307 L308 S309 S490	W307-F311 HydrophobicContact CZ2-CE2 4.31Å; L308-F311 HydrophobicContact CD2-CD2 4.41Å; L308-F311 PolarHBondContact O-N 2.8Å; L308-F311 VanDerWaalsContact O-N 3.1Å; S309-F311 PolarHBondContact O-N 2.87Å; F311-S490 VanDerWaalsContact CZ-OG 3.24Å; F311-S490 WeakPolarHBondContact CZ-OG 3.49Å
312	V	87.7	Confident	90.5	Very high	42 Å²	42	55.9 Å²	55.9	26%	0.255	30%	0.303	S	S	.	.	S	Bend	trans	-74.9	138.1	175.4	178.1	0	0	0	0	108.2	S309 A316 A319 R320 I323	S309-V312 PolarHBondContact O-N 3.21Å; V312-A316 HydrophobicContact CG1-CB 3.98Å; V312-A319 HydrophobicContact CG1-CB 4.26Å; V312-R320 HydrophobicContact CB-CG 4.03Å; V312-R320 HydrophobicContact CG1-CG 3.93Å; V312-R320 PolarHBondContact O-NE 3.45Å; V312-R320 PolarHBondContact O-NH2 2.93Å; V312-I323 HydrophobicContact CG2-CD1 4.35Å
313	D	83.9	Confident	90.4	Very high	124 Å²	124	56.8 Å²	56.8	66%	0.663	31%	0.307	S	S	*	.			trans	-58.1	141	179.2	-66.1	-43.7	0	0	0	112.7	E315 A316 R320	D313-E315 PolarHBondContact O-N 3.07Å; D313-E315 VanDerWaalsContact O-N 3.13Å; D313-A316 PolarHBondContact O-N 2.82Å; D313-R320 PolarHBondContact O-NE 2.71Å
314	Y	78.3	Confident	90.2	Very high	47 Å²	47	56.8 Å²	56.8	18%	0.184	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.6	-178.2	69.5	-93.9	0	0	0	112.8	A316 R320 H479	Y314-A316 VanDerWaalsContact C-N 3.32Å; Y314-R320 VanDerWaalsContact CA-CZ 3.47Å; Y314-H479 AromaticContact CE1-CE1 3.99Å; Y314-H479 AromaticContact CZ-CE1 3.75Å; Y314-H479 PolarHBondContact OH-CE1 2.96Å; Y314-H479 PolarHBondContact OH-ND1 2.96Å; Y314-H479 PolarHBondContact OH-NE2 3.27Å; Y314-H479 VanDerWaalsContact OH-NE2 3.13Å
315	E	79.5	Confident	90.2	Very high	140 Å²	140	58.8 Å²	58.8	65%	0.654	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.5	175.6	-59.2	-169.8	168.1	0	0	112	D313 V317	D313-E315 PolarHBondContact O-N 3.07Å; D313-E315 VanDerWaalsContact O-N 3.13Å; E315-V317 PolarHBondContact O-N 2.75Å
316	A	87.8	Confident	90.3	Very high	36 Å²	36	60.5 Å²	60.5	30%	0.298	33%	0.325	S	S	.	.			trans	-80.6	55.2	175.8	0	0	0	0	0	111.8	V312 D313 Y314 P318 A319 R320	V312-A316 HydrophobicContact CG1-CB 3.98Å; D313-A316 PolarHBondContact O-N 2.82Å; Y314-A316 VanDerWaalsContact C-N 3.32Å; A316-P318 VanDerWaalsContact C-CD 3.46Å; A316-A319 HydrophobicContact CB-CB 4.13Å; A316-A319 WeakPolarHBondContact O-CB 3.18Å; A316-A319 PolarHBondContact O-N 2.96Å; A316-R320 PolarHBondContact O-N 2.82Å; A316-R320 VanDerWaalsContact O-N 3.13Å
317	V	88.9	Confident	90.3	Very high	41 Å²	41	60.8 Å²	60.8	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-43.7	-50.3	176.4	170.2	0	0	0	0	113.6	E315 A319 I321 F369	E315-V317 PolarHBondContact O-N 2.75Å; V317-A319 VanDerWaalsContact C-N 3.33Å; V317-A319 PolarHBondContact O-N 2.91Å; V317-I321 HydrophobicContact CG1-CD1 3.71Å; V317-I321 WeakPolarHBondContact O-CG1 3.47Å; V317-I321 PolarHBondContact O-N 3.33Å; V317-F369 HydrophobicContact CB-CZ 4.38Å; V317-F369 HydrophobicContact CG1-CZ 4.09Å; V317-F369 HydrophobicContact CG2-CZ 4.34Å
318	P	92	Very high	90.5	Very high	94 Å²	94	58.3 Å²	58.3	61%	0.61	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-38.5	-179.8	22.9	-33.5	0	0	0	112.6	A316 S322	A316-P318 VanDerWaalsContact C-CD 3.46Å; P318-S322 VanDerWaalsContact O-CB 3.3Å; P318-S322 WeakPolarHBondContact O-CB 3.34Å; P318-S322 PolarHBondContact O-N 3.01Å; P318-S322 VanDerWaalsContact O-N 3.12Å; P318-S322 PolarHBondContact O-OG 2.97Å
319	A	91.9	Very high	90.7	Very high	41 Å²	41	59 Å²	59	34%	0.339	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-48.8	-179.4	0	0	0	0	0	111.8	V312 A316 V317 S322 I323	V312-A319 HydrophobicContact CG1-CB 4.26Å; A316-A319 HydrophobicContact CB-CB 4.13Å; A316-A319 WeakPolarHBondContact O-CB 3.18Å; A316-A319 PolarHBondContact O-N 2.96Å; V317-A319 VanDerWaalsContact C-N 3.33Å; V317-A319 PolarHBondContact O-N 2.91Å; A319-S322 PolarHBondContact O-N 2.81Å; A319-I323 WeakPolarHBondContact O-CG1 3.15Å; A319-I323 PolarHBondContact O-N 3.14Å; A319-I323 VanDerWaalsContact O-N 3.08Å
320	R	91	Very high	91	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.038	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-44.6	-178.8	-73.9	-167.4	176.8	-167.2	7.6	112.5	V312 D313 Y314 A316 G324 F369 D486	V312-R320 HydrophobicContact CB-CG 4.03Å; V312-R320 HydrophobicContact CG1-CG 3.93Å; V312-R320 PolarHBondContact O-NE 3.45Å; V312-R320 PolarHBondContact O-NH2 2.93Å; D313-R320 PolarHBondContact O-NE 2.71Å; Y314-R320 VanDerWaalsContact CA-CZ 3.47Å; A316-R320 PolarHBondContact O-N 2.82Å; A316-R320 VanDerWaalsContact O-N 3.13Å; R320-G324 PolarHBondContact O-N 3.39Å; R320-F369 HydrophobicContact CB-CD2 3.68Å; R320-F369 HydrophobicContact CB-CE2 3.66Å; R320-F369 HydrophobicContact CB-CG 4.29Å; R320-F369 HydrophobicContact CB-CZ 4.31Å; R320-F369 VanDerWaalsContact CD-CD2 3.4Å; R320-F369 HydrophobicContact CG-CD2 4.21Å; R320-F369 HydrophobicContact CG-CE2 4.28Å; R320-D486 IonicContact CZ-OD1 3.14Å; R320-D486 IonicContact CZ-OD2 3.39Å; R320-D486 VanDerWaalsContact NH1-CG 3.35Å; R320-D486 IonicContact NH1-OD1 2.82Å; R320-D486 PolarHBondContact NH1-OD1 3.27Å; R320-D486 IonicContact NH1-OD2 3.51Å; R320-D486 PolarHBondContact NH1-OD2 2.88Å; R320-D486 VanDerWaalsContact NH2-CG 3.31Å; R320-D486 IonicContact NH2-OD1 2.78Å; R320-D486 PolarHBondContact NH2-OD1 3.43Å; R320-D486 IonicContact NH2-OD2 3.56Å; R320-D486 PolarHBondContact NH2-OD2 3.07Å
321	I	92.3	Very high	91.3	Very high	60 Å²	60	59.8 Å²	59.8	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-47.2	178.4	-66.6	172.7	0	0	0	110.7	V317 I323 G324 L325 F369	V317-I321 HydrophobicContact CG1-CD1 3.71Å; V317-I321 WeakPolarHBondContact O-CG1 3.47Å; V317-I321 PolarHBondContact O-N 3.33Å; I321-I323 PolarHBondContact O-N 3.37Å; I321-G324 PolarHBondContact O-N 3.1Å; I321-L325 HydrophobicContact CG2-CD1 3.54Å; I321-L325 HydrophobicContact CG2-CG 4.06Å; I321-L325 WeakPolarHBondContact O-CB 3.4Å; I321-L325 WeakPolarHBondContact O-CG 3.2Å; I321-L325 PolarHBondContact O-N 3.43Å; I321-F369 HydrophobicContact CB-CE1 4.48Å; I321-F369 HydrophobicContact CD1-CE1 3.61Å; I321-F369 HydrophobicContact CD1-CZ 3.96Å; I321-F369 HydrophobicContact CG1-CD1 3.89Å; I321-F369 HydrophobicContact CG1-CE1 3.1Å; I321-F369 HydrophobicContact CG1-CZ 3.57Å
322	S	94.1	Very high	91.7	Very high	62 Å²	62	57.8 Å²	57.8	43%	0.434	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-45.2	-178.7	-70.7	0	0	0	0	112	P318 A319 G324 L326	P318-S322 VanDerWaalsContact O-CB 3.3Å; P318-S322 WeakPolarHBondContact O-CB 3.34Å; P318-S322 PolarHBondContact O-N 3.01Å; P318-S322 VanDerWaalsContact O-N 3.12Å; P318-S322 PolarHBondContact O-OG 2.97Å; A319-S322 PolarHBondContact O-N 2.81Å; S322-G324 PolarHBondContact O-N 2.77Å; S322-L326 VanDerWaalsContact O-CB 3.27Å; S322-L326 WeakPolarHBondContact O-CB 3.48Å; S322-L326 WeakPolarHBondContact O-CD1 3.43Å; S322-L326 WeakPolarHBondContact O-CG 3.27Å; S322-L326 PolarHBondContact O-N 2.94Å
323	I	93.8	Very high	92	Very high	49 Å²	49	59.8 Å²	59.8	25%	0.251	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-49.5	178.6	-68.1	166.4	0	0	0	110.8	I305 V312 A319 I321 L326 C327	I305-I323 HydrophobicContact CG2-CG2 3.87Å; V312-I323 HydrophobicContact CG2-CD1 4.35Å; A319-I323 WeakPolarHBondContact O-CG1 3.15Å; A319-I323 PolarHBondContact O-N 3.14Å; A319-I323 VanDerWaalsContact O-N 3.08Å; I321-I323 PolarHBondContact O-N 3.37Å; I323-L326 PolarHBondContact O-N 3.17Å; I323-C327 PolarHBondContact O-N 2.94Å; I323-C327 PolarHBondContact O-SG 2.89Å
324	G	93.1	Very high	92.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-44.4	-178.4	0	0	0	0	0	112.9	R320 I321 S322 L326 C327 V328	R320-G324 PolarHBondContact O-N 3.39Å; I321-G324 PolarHBondContact O-N 3.1Å; S322-G324 PolarHBondContact O-N 2.77Å; G324-L326 PolarHBondContact O-N 2.02Å; G324-C327 PolarHBondContact O-N 3.24Å; G324-V328 WeakPolarHBondContact O-CG2 3.37Å; G324-V328 PolarHBondContact O-N 2.85Å
325	L	94.9	Very high	93.3	Very high	99 Å²	99	54.3 Å²	54.3	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-41	177.9	-72	179.3	0	0	0	112.4	I321 V328 L329 L366	I321-L325 HydrophobicContact CG2-CD1 3.54Å; I321-L325 HydrophobicContact CG2-CG 4.06Å; I321-L325 WeakPolarHBondContact O-CB 3.4Å; I321-L325 WeakPolarHBondContact O-CG 3.2Å; I321-L325 PolarHBondContact O-N 3.43Å; L325-V328 PolarHBondContact O-N 3.09Å; L325-L329 WeakPolarHBondContact O-CB 3.43Å; L325-L329 PolarHBondContact O-N 2.96Å; L325-L366 HydrophobicContact CD2-CD1 4.2Å
326	L	96.2	Very high	94	Very high	113 Å²	113	50.1 Å²	50.1	59%	0.592	30%	0.304	S	S	*	.	H	α-helix	trans	-64.1	-40.2	176.8	-73.4	170.6	0	0	0	111.6	S322 I323 G324 L329 A330	S322-L326 VanDerWaalsContact O-CB 3.27Å; S322-L326 WeakPolarHBondContact O-CB 3.48Å; S322-L326 WeakPolarHBondContact O-CD1 3.43Å; S322-L326 WeakPolarHBondContact O-CG 3.27Å; S322-L326 PolarHBondContact O-N 2.94Å; I323-L326 PolarHBondContact O-N 3.17Å; G324-L326 PolarHBondContact O-N 2.02Å; L326-L329 PolarHBondContact O-N 3.37Å; L326-A330 VanDerWaalsContact O-CB 3.28Å; L326-A330 WeakPolarHBondContact O-CB 3.48Å; L326-A330 PolarHBondContact O-N 2.88Å
327	C	96.2	Very high	94.3	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.034	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-41.8	176.5	-67.6	0	0	0	0	112.1	I323 G324 A330 L331 V362	I323-C327 PolarHBondContact O-N 2.94Å; I323-C327 PolarHBondContact O-SG 2.89Å; G324-C327 PolarHBondContact O-N 3.24Å; C327-A330 PolarHBondContact O-N 3.32Å; C327-L331 PolarHBondContact O-N 3.42Å; C327-V362 HydrophobicContact CB-CG1 3.48Å; C327-V362 VanDerWaalsContact CB-CG1 3.48Å; C327-V362 HydrophobicContact CB-CG2 4.34Å
328	V	96.8	Very high	94.4	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.152	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-49.4	175.3	170.1	0	0	0	0	110.4	G324 L325 A330 L331 I332 L359 V362 V363 L366	G324-V328 WeakPolarHBondContact O-CG2 3.37Å; G324-V328 PolarHBondContact O-N 2.85Å; L325-V328 PolarHBondContact O-N 3.09Å; V328-A330 VanDerWaalsContact C-N 3.34Å; V328-A330 PolarHBondContact O-N 3.11Å; V328-L331 PolarHBondContact O-N 3.23Å; V328-I332 HydrophobicContact CG1-CD1 3.72Å; V328-I332 HydrophobicContact CG1-CG1 4.46Å; V328-I332 WeakPolarHBondContact O-CG1 3.12Å; V328-I332 PolarHBondContact O-N 2.98Å; V328-L359 HydrophobicContact CG1-CD1 4.14Å; V328-V362 HydrophobicContact CG2-CB 4.49Å; V328-V362 HydrophobicContact CG2-CG1 3.59Å; V328-V363 HydrophobicContact CG2-CG2 4.1Å; V328-L366 HydrophobicContact CG2-CD1 3.68Å
329	L	97.1	Very high	94.4	Very high	103 Å²	103	49.5 Å²	49.5	54%	0.539	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-45.8	179.1	-179.3	60.4	0	0	0	111.2	L325 L326 L331 I332 T333	L325-L329 WeakPolarHBondContact O-CB 3.43Å; L325-L329 PolarHBondContact O-N 2.96Å; L326-L329 PolarHBondContact O-N 3.37Å; L329-L331 PolarHBondContact O-N 3.27Å; L329-I332 PolarHBondContact O-N 2.84Å; L329-T333 WeakPolarHBondContact O-CB 3.4Å; L329-T333 PolarHBondContact O-N 3.3Å; L329-T333 PolarHBondContact O-OG1 2.85Å
330	A	96.9	Very high	94.3	Very high	35 Å²	35	52.6 Å²	52.6	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-44.1	178.9	0	0	0	0	0	112.5	L302 L326 C327 V328 T333 Q334	L302-A330 HydrophobicContact CD1-CB 3.66Å; L302-A330 HydrophobicContact CD2-CB 3.85Å; L302-A330 HydrophobicContact CG-CB 4.44Å; L326-A330 VanDerWaalsContact O-CB 3.28Å; L326-A330 WeakPolarHBondContact O-CB 3.48Å; L326-A330 PolarHBondContact O-N 2.88Å; C327-A330 PolarHBondContact O-N 3.32Å; V328-A330 VanDerWaalsContact C-N 3.34Å; V328-A330 PolarHBondContact O-N 3.11Å; A330-T333 PolarHBondContact O-N 3.06Å; A330-Q334 WeakPolarHBondContact O-CB 3.49Å; A330-Q334 PolarHBondContact O-N 3.04Å
331	L	96.4	Very high	94.3	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-38.8	176.4	-77.1	177	0	0	0	112.8	L302 C327 V328 L329 Q334 S335 C358 L359 V362	L302-L331 HydrophobicContact CB-CD2 4.38Å; L302-L331 HydrophobicContact CB-CG 4.41Å; L302-L331 HydrophobicContact CD1-CD2 3.76Å; L302-L331 HydrophobicContact CD1-CG 3.86Å; C327-L331 PolarHBondContact O-N 3.42Å; V328-L331 PolarHBondContact O-N 3.23Å; L329-L331 PolarHBondContact O-N 3.27Å; L331-Q334 PolarHBondContact O-N 2.67Å; L331-S335 WeakPolarHBondContact O-CB 3.49Å; L331-S335 PolarHBondContact O-N 2.88Å; L331-S335 PolarHBondContact O-OG 2.93Å; L331-C358 HydrophobicContact CD1-CB 4.14Å; L331-C358 HydrophobicContact CD2-CB 4.23Å; L331-L359 HydrophobicContact CB-CD1 4.39Å; L331-L359 HydrophobicContact CD1-CB 4.44Å; L331-V362 HydrophobicContact CD1-CB 4.09Å; L331-V362 HydrophobicContact CD1-CG2 3.49Å; L331-V362 VanDerWaalsContact CD1-CG2 3.49Å
332	I	96	Very high	94.1	Very high	86 Å²	86	53.4 Å²	53.4	44%	0.441	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-45.6	176.1	-68.7	171.1	0	0	0	110.3	V328 L329 Q334 S335 A336 L359	V328-I332 HydrophobicContact CG1-CD1 3.72Å; V328-I332 HydrophobicContact CG1-CG1 4.46Å; V328-I332 WeakPolarHBondContact O-CG1 3.12Å; V328-I332 PolarHBondContact O-N 2.98Å; L329-I332 PolarHBondContact O-N 2.84Å; I332-Q334 VanDerWaalsContact C-N 3.35Å; I332-Q334 PolarHBondContact O-N 2.91Å; I332-S335 PolarHBondContact O-N 3.28Å; I332-A336 PolarHBondContact O-N 2.7Å; I332-L359 HydrophobicContact CG1-CD1 4.33Å
333	T	96	Very high	94	Very high	85 Å²	85	51.1 Å²	51.1	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-43.8	176.5	-61.2	0	0	0	0	111.5	L329 A330 A336 A337	L329-T333 WeakPolarHBondContact O-CB 3.4Å; L329-T333 PolarHBondContact O-N 3.3Å; L329-T333 PolarHBondContact O-OG1 2.85Å; A330-T333 PolarHBondContact O-N 3.06Å; T333-A336 PolarHBondContact O-N 2.85Å; T333-A337 PolarHBondContact O-N 3.49Å
334	Q	94.5	Very high	93.9	Very high	27 Å²	27	60.5 Å²	60.5	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-42.7	176	-171.2	-177.5	13.8	0	0	111.9	Y294 A295 A330 L331 I332 A336 A337 I338	Y294-Q334 PolarHBondContact O-NE2 3.06Å; A295-Q334 PolarHBondContact O-NE2 2.81Å; A330-Q334 WeakPolarHBondContact O-CB 3.49Å; A330-Q334 PolarHBondContact O-N 3.04Å; L331-Q334 PolarHBondContact O-N 2.67Å; I332-Q334 VanDerWaalsContact C-N 3.35Å; I332-Q334 PolarHBondContact O-N 2.91Å; Q334-A336 VanDerWaalsContact C-N 3.34Å; Q334-A336 PolarHBondContact O-N 2.81Å; Q334-A337 WeakPolarHBondContact O-CB 3.44Å; Q334-A337 PolarHBondContact O-N 3.35Å; Q334-I338 HydrophobicContact CG-CD1 4.2Å; Q334-I338 WeakPolarHBondContact O-CG1 3.3Å; Q334-I338 PolarHBondContact O-N 2.91Å
335	S	93.9	Very high	93.8	Very high	28 Å²	28	62.1 Å²	62.1	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-62	-42.9	176.9	-58.7	0	0	0	0	111.5	L331 I332 A337 I338 L339	L331-S335 WeakPolarHBondContact O-CB 3.49Å; L331-S335 PolarHBondContact O-N 2.88Å; L331-S335 PolarHBondContact O-OG 2.93Å; I332-S335 PolarHBondContact O-N 3.28Å; S335-A337 VanDerWaalsContact C-N 3.33Å; S335-A337 PolarHBondContact O-N 3.5Å; S335-I338 PolarHBondContact O-N 3.31Å; S335-L339 WeakPolarHBondContact O-CG 3.33Å; S335-L339 PolarHBondContact O-N 3.24Å
336	A	93.9	Very high	93.6	Very high	53 Å²	53	63.9 Å²	63.9	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-61.7	-39.8	175	0	0	0	0	0	112.1	I332 T333 Q334 L339	I332-A336 PolarHBondContact O-N 2.7Å; T333-A336 PolarHBondContact O-N 2.85Å; Q334-A336 VanDerWaalsContact C-N 3.34Å; Q334-A336 PolarHBondContact O-N 2.81Å; A336-L339 PolarHBondContact O-N 2.96Å
337	A	93.7	Very high	93.5	Very high	52 Å²	52	62 Å²	62	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.3	0	0	0	0	0	112	T333 Q334 S335 L339 T340	T333-A337 PolarHBondContact O-N 3.49Å; Q334-A337 WeakPolarHBondContact O-CB 3.44Å; Q334-A337 PolarHBondContact O-N 3.35Å; S335-A337 VanDerWaalsContact C-N 3.33Å; S335-A337 PolarHBondContact O-N 3.5Å; A337-L339 VanDerWaalsContact C-N 3.32Å; A337-L339 PolarHBondContact O-N 3.03Å; A337-T340 PolarHBondContact O-N 3.03Å; A337-T340 VanDerWaalsContact O-N 3.15Å; A337-T340 PolarHBondContact O-OG1 2.91Å
338	I	92.2	Very high	93.4	Very high	10 Å²	10	67.4 Å²	67.4	5%	0.051	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-38.5	178.4	-69.6	164.2	0	0	0	111.2	A295 Q334 S335 T340 Q341 I351 L355	A295-I338 HydrophobicContact CB-CD1 3.8Å; Q334-I338 HydrophobicContact CG-CD1 4.2Å; Q334-I338 WeakPolarHBondContact O-CG1 3.3Å; Q334-I338 PolarHBondContact O-N 2.91Å; S335-I338 PolarHBondContact O-N 3.31Å; I338-T340 PolarHBondContact O-N 2.92Å; I338-T340 VanDerWaalsContact O-N 3.13Å; I338-Q341 WeakPolarHBondContact O-CB 3.47Å; I338-Q341 PolarHBondContact O-N 2.75Å; I338-I351 HydrophobicContact CD1-CD1 4.06Å; I338-I351 HydrophobicContact CG2-CD1 3.87Å; I338-I351 HydrophobicContact CG2-CG2 4.43Å; I338-L355 HydrophobicContact CD1-CD1 3.76Å; I338-L355 HydrophobicContact CD1-CD2 4.24Å
339	L	90.5	Very high	93.2	Very high	95 Å²	95	66.5 Å²	66.5	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-17.8	177.1	-72.8	170.7	0	0	0	114.1	S335 A336 A337 V342	S335-L339 WeakPolarHBondContact O-CG 3.33Å; S335-L339 PolarHBondContact O-N 3.24Å; A336-L339 PolarHBondContact O-N 2.96Å; A337-L339 VanDerWaalsContact C-N 3.32Å; A337-L339 PolarHBondContact O-N 3.03Å; L339-V342 VanDerWaalsContact O-O 3.08Å
340	T	91.7	Very high	93	Very high	107 Å²	107	61.6 Å²	61.6	66%	0.656	34%	0.341	S	S	*	.	H	α-helix	trans	-81.4	-21.2	174.1	69.8	0	0	0	0	113.1	A337 I338	A337-T340 PolarHBondContact O-N 3.03Å; A337-T340 VanDerWaalsContact O-N 3.15Å; A337-T340 PolarHBondContact O-OG1 2.91Å; I338-T340 PolarHBondContact O-N 2.92Å; I338-T340 VanDerWaalsContact O-N 3.13Å
341	Q	89.2	Confident	92.9	Very high	82 Å²	82	60 Å²	60	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-88.8	-16.2	-177.2	-61.3	-179.9	-18.8	0	0	112.9	V105 I338	V105-Q341 VanDerWaalsContact CG2-O 3.31Å; V105-Q341 WeakPolarHBondContact CG2-O 3.42Å; I338-Q341 WeakPolarHBondContact O-CB 3.47Å; I338-Q341 PolarHBondContact O-N 2.75Å
342	V	89.6	Confident	92.7	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	34%	0.338	C	S	.	.	S	Bend	trans	-123	149.3	-177.2	-64.2	0	0	0	0	110.4	F196 L339	F196-V342 HydrophobicContact CD1-CG1 4.29Å; F196-V342 HydrophobicContact CD2-CG1 4.42Å; F196-V342 HydrophobicContact CE1-CG1 3.62Å; F196-V342 HydrophobicContact CE2-CG1 3.76Å; F196-V342 HydrophobicContact CZ-CG1 3.3Å; L339-V342 VanDerWaalsContact O-O 3.08Å
343	P	92.1	Very high	92.7	Very high	14 Å²	14	61.1 Å²	61.1	9%	0.091	33%	0.334	C	S	.	.			trans	-63.8	150.7	176.8	26.5	-33	0	0	0	110.5	V104 M107 L193 V345	V104-P343 HydrophobicContact CG1-CG 4.38Å; V104-P343 WeakPolarHBondContact O-CD 3.34Å; V104-P343 VanDerWaalsContact O-CG 3.27Å; V104-P343 WeakPolarHBondContact O-CG 3.48Å; M107-P343 HydrophobicContact CE-CB 4.15Å; M107-P343 HydrophobicContact CE-CG 3.46Å; M107-P343 VanDerWaalsContact CE-CG 3.46Å; M107-P343 HydrophobicContact SD-CG 4.19Å; L193-P343 HydrophobicContact CD1-CG 3.5Å; P343-V345 HydrophobicContact CG-CG1 4.15Å; P343-V345 PolarHBondContact O-N 3.38Å
344	R	90.7	Very high	92.6	Very high	247 Å²	247	57.2 Å²	57.2	93%	0.932	31%	0.309	S	S	*	.			trans	-71.1	93.7	172.7	-62.2	-177.8	-174.1	178.9	1.7	109.1
345	V	90.4	Very high	92.7	Very high	34 Å²	34	56.4 Å²	56.4	21%	0.206	31%	0.306	C	S	.	.			trans	-96.6	144.4	175.3	-66.4	0	0	0	0	110.4	M107 L193 P343 Y347 K349	M107-V345 HydrophobicContact CE-CG1 4.2Å; L193-V345 HydrophobicContact CD1-CG1 4.31Å; P343-V345 HydrophobicContact CG-CG1 4.15Å; P343-V345 PolarHBondContact O-N 3.38Å; V345-Y347 HydrophobicContact CB-CD1 4.09Å; V345-Y347 HydrophobicContact CB-CD2 4.43Å; V345-Y347 HydrophobicContact CB-CE1 3.77Å; V345-Y347 HydrophobicContact CB-CE2 4.13Å; V345-Y347 HydrophobicContact CB-CG 4.41Å; V345-Y347 HydrophobicContact CG1-CE1 4.01Å; V345-Y347 HydrophobicContact CG2-CD2 4.11Å; V345-Y347 HydrophobicContact CG2-CE1 4.41Å; V345-Y347 HydrophobicContact CG2-CE2 3.86Å; V345-Y347 HydrophobicContact CG2-CG 4.49Å; V345-Y347 PolarHBondContact O-N 2.83Å; V345-K349 HydrophobicContact CG2-CD 3.83Å; V345-K349 HydrophobicContact CG2-CG 3.94Å
346	S	92.1	Very high	92.7	Very high	136 Å²	136	62.1 Å²	62.1	95%	0.951	33%	0.328	S	S	*	.	S	Bend	trans	-82.2	6.8	-179	-51.7	0	0	0	0	114.1
347	Y	93.5	Very high	92.8	Very high	73 Å²	73	61 Å²	61	29%	0.286	32%	0.315	S	S	.	.	S	Bend	trans	-120.4	161	179.8	57.3	-103.6	0	0	0	111.4	L193 H194 V345 K349	L193-Y347 HydrophobicContact CB-CE2 4.16Å; L193-Y347 PolarHBondContact N-OH 3.41Å; H194-Y347 AromaticContact CE1-CD2 3.53Å; H194-Y347 AromaticContact CE1-CG 3.63Å; H194-Y347 AromaticContact ND1-CD2 3.51Å; H194-Y347 AromaticContact ND1-CE2 3.93Å; V345-Y347 HydrophobicContact CB-CD1 4.09Å; V345-Y347 HydrophobicContact CB-CD2 4.43Å; V345-Y347 HydrophobicContact CB-CE1 3.77Å; V345-Y347 HydrophobicContact CB-CE2 4.13Å; V345-Y347 HydrophobicContact CB-CG 4.41Å; V345-Y347 HydrophobicContact CG1-CE1 4.01Å; V345-Y347 HydrophobicContact CG2-CD2 4.11Å; V345-Y347 HydrophobicContact CG2-CE1 4.41Å; V345-Y347 HydrophobicContact CG2-CE2 3.86Å; V345-Y347 HydrophobicContact CG2-CG 4.49Å; V345-Y347 PolarHBondContact O-N 2.83Å; Y347-K349 HydrophobicContact CE2-CG 4.37Å
348	I	93.1	Very high	93	Very high	119 Å²	119	58.5 Å²	58.5	61%	0.61	30%	0.295	S	S	*	.			trans	-76.3	130.9	-179.1	-58.3	171.5	0	0	0	110	D352 I353	I348-D352 HydrophobicContact CG2-CB 4.29Å; I348-I353 HydrophobicContact CG2-CD1 4.07Å; I348-I353 HydrophobicContact CG2-CG1 3.54Å
349	K	94	Very high	93.2	Very high	7 Å²	7	60.2 Å²	60.2	3%	0.03	30%	0.304	C	S	.	.			trans	-98.1	158.5	173.6	-55.6	-180	-59.5	-57.4	0	111.2	L193 H194 F196 V345 Y347 I351 D352 I353	L193-K349 HydrophobicContact CB-CD 4.24Å; L193-K349 HydrophobicContact CB-CG 4.45Å; H194-K349 CarbonylContact O-C 3.49Å; F196-K349 HydrophobicContact CB-CB 4.5Å; V345-K349 HydrophobicContact CG2-CD 3.83Å; V345-K349 HydrophobicContact CG2-CG 3.94Å; Y347-K349 HydrophobicContact CE2-CG 4.37Å; K349-I351 VanDerWaalsContact C-N 3.28Å; K349-I351 HydrophobicContact CB-CG2 4.23Å; K349-I351 PolarHBondContact O-N 3.12Å; K349-D352 WeakPolarHBondContact CB-OD2 3.41Å; K349-D352 WeakPolarHBondContact CE-OD1 3.11Å; K349-D352 PolarHBondContact N-OD2 2.77Å; K349-D352 IonicContact NZ-OD1 3.45Å; K349-D352 PolarHBondContact NZ-OD1 3.26Å; K349-D352 IonicContact NZ-OD2 3.9Å; K349-D352 PolarHBondContact NZ-OD2 3.04Å; K349-D352 WeakPolarHBondContact O-CB 3.37Å; K349-D352 PolarHBondContact O-N 2.91Å; K349-I353 PolarHBondContact O-N 3.26Å
350	G	92.9	Very high	93.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.3	-38.4	177	0	0	0	0	0	114.2	H194 W354 Y504 F508	H194-G350 PolarHBondContact O-N 3.37Å; G350-W354 PolarHBondContact O-N 2.95Å; G350-Y504 WeakPolarHBondContact O-CE2 3.35Å; G350-Y504 PolarHBondContact O-OH 3.23Å; G350-F508 VanDerWaalsContact CA-CZ 3.41Å
351	I	93.6	Very high	93.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-32.1	174.1	-162	161.3	0	0	0	113.2	F196 Y291 A295 I338 K349 I353 W354 L355	F196-I351 HydrophobicContact CD1-CB 4.17Å; F196-I351 HydrophobicContact CD1-CG2 3.69Å; F196-I351 HydrophobicContact CE1-CD1 4.19Å; F196-I351 HydrophobicContact CE1-CG2 4.07Å; F196-I351 PolarHBondContact O-N 3.36Å; Y291-I351 HydrophobicContact CD1-CD1 4.4Å; A295-I351 HydrophobicContact CB-CD1 4.04Å; I338-I351 HydrophobicContact CD1-CD1 4.06Å; I338-I351 HydrophobicContact CG2-CD1 3.87Å; I338-I351 HydrophobicContact CG2-CG2 4.43Å; K349-I351 VanDerWaalsContact C-N 3.28Å; K349-I351 HydrophobicContact CB-CG2 4.23Å; K349-I351 PolarHBondContact O-N 3.12Å; I351-I353 VanDerWaalsContact C-N 3.34Å; I351-W354 WeakPolarHBondContact O-CB 3.36Å; I351-W354 PolarHBondContact O-N 3.27Å; I351-L355 HydrophobicContact CG1-CD1 4.24Å; I351-L355 HydrophobicContact CG1-CG 4.5Å; I351-L355 WeakPolarHBondContact O-CG 3.29Å; I351-L355 PolarHBondContact O-N 2.89Å
352	D	94.1	Very high	94	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-38.5	179	-57.2	-28.9	0	0	0	110.2	I348 K349 W354 L355 F356	I348-D352 HydrophobicContact CG2-CB 4.29Å; K349-D352 WeakPolarHBondContact CB-OD2 3.41Å; K349-D352 WeakPolarHBondContact CE-OD1 3.11Å; K349-D352 PolarHBondContact N-OD2 2.77Å; K349-D352 IonicContact NZ-OD1 3.45Å; K349-D352 PolarHBondContact NZ-OD1 3.26Å; K349-D352 IonicContact NZ-OD2 3.9Å; K349-D352 PolarHBondContact NZ-OD2 3.04Å; K349-D352 WeakPolarHBondContact O-CB 3.37Å; K349-D352 PolarHBondContact O-N 2.91Å; D352-W354 VanDerWaalsContact C-N 3.33Å; D352-W354 PolarHBondContact O-N 2.94Å; D352-L355 PolarHBondContact O-N 3.42Å; D352-F356 WeakPolarHBondContact O-CB 3.5Å; D352-F356 PolarHBondContact O-N 3.07Å
353	I	94.4	Very high	94.3	Very high	70 Å²	70	53 Å²	53	36%	0.359	27%	0.272	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175.1	-61.8	172.7	0	0	0	110.3	I348 K349 I351 V357 F508	I348-I353 HydrophobicContact CG2-CD1 4.07Å; I348-I353 HydrophobicContact CG2-CG1 3.54Å; K349-I353 PolarHBondContact O-N 3.26Å; I351-I353 VanDerWaalsContact C-N 3.34Å; I353-V357 WeakPolarHBondContact O-CG2 3.39Å; I353-V357 PolarHBondContact O-N 2.93Å; I353-F508 HydrophobicContact CD1-CZ 4.43Å
354	W	95.4	Very high	94.3	Very high	2 Å²	2	54 Å²	54	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-52.6	177.7	173.7	-93.2	0	0	0	112.1	Y296 S299 L300 G350 I351 D352 F356 V357 C358 F500 N501 Y504 W505	Y296-W354 AromaticContact CD1-CD1 3.89Å; Y296-W354 AromaticContact CD1-CD2 3.51Å; Y296-W354 HydrophobicContact CD1-CD2 3.51Å; Y296-W354 AromaticContact CD1-CE2 3.46Å; Y296-W354 VanDerWaalsContact CD1-CE2 3.46Å; Y296-W354 AromaticContact CD1-CE3 4Å; Y296-W354 HydrophobicContact CD1-CE3 4Å; Y296-W354 AromaticContact CD1-CG 3.81Å; Y296-W354 HydrophobicContact CD1-CG 3.81Å; Y296-W354 HydrophobicContact CD1-CH2 4.33Å; Y296-W354 AromaticContact CD1-CZ2 3.9Å; Y296-W354 HydrophobicContact CD1-CZ2 3.9Å; Y296-W354 HydrophobicContact CD1-CZ3 4.37Å; Y296-W354 AromaticContact CD1-NE1 3.68Å; Y296-W354 HydrophobicContact CE1-CB 4.02Å; Y296-W354 AromaticContact CE1-CD1 3.96Å; Y296-W354 AromaticContact CE1-CD2 3.6Å; Y296-W354 HydrophobicContact CE1-CD2 3.6Å; Y296-W354 AromaticContact CE1-CE3 3.99Å; Y296-W354 HydrophobicContact CE1-CE3 3.99Å; Y296-W354 AromaticContact CE1-CG 3.58Å; Y296-W354 HydrophobicContact CE1-CG 3.58Å; S299-W354 PolarHBondContact OG-NE1 2.86Å; L300-W354 HydrophobicContact CD1-CH2 4.22Å; L300-W354 HydrophobicContact CD1-CZ2 4.45Å; G350-W354 PolarHBondContact O-N 2.95Å; I351-W354 WeakPolarHBondContact O-CB 3.36Å; I351-W354 PolarHBondContact O-N 3.27Å; D352-W354 VanDerWaalsContact C-N 3.33Å; D352-W354 PolarHBondContact O-N 2.94Å; W354-F356 VanDerWaalsContact C-N 3.35Å; W354-F356 PolarHBondContact O-N 2.82Å; W354-V357 PolarHBondContact O-N 3.3Å; W354-C358 PolarHBondContact O-N 2.97Å; W354-C358 PolarHBondContact O-SG 3.2Å; W354-F500 AromaticContact CE3-CE1 3.76Å; W354-F500 HydrophobicContact CE3-CE1 3.76Å; W354-F500 HydrophobicContact CE3-CZ 4.17Å; W354-F500 AromaticContact CZ3-CE1 3.93Å; W354-F500 HydrophobicContact CZ3-CE1 3.93Å; W354-N501 WeakPolarHBondContact CH2-OD1 3.44Å; W354-N501 WeakPolarHBondContact CZ3-OD1 3.45Å; W354-Y504 HydrophobicContact CB-CE2 3.8Å; W354-Y504 HydrophobicContact CD2-CE1 4.46Å; W354-Y504 AromaticContact CE3-CD1 3.67Å; W354-Y504 HydrophobicContact CE3-CD1 3.67Å; W354-Y504 HydrophobicContact CE3-CD2 4.22Å; W354-Y504 AromaticContact CE3-CE1 3.75Å; W354-Y504 HydrophobicContact CE3-CE1 3.75Å; W354-Y504 HydrophobicContact CE3-CE2 4.28Å; W354-Y504 AromaticContact CE3-CG 3.94Å; W354-Y504 HydrophobicContact CE3-CG 3.94Å; W354-Y504 HydrophobicContact CZ3-CD1 4.02Å; W354-Y504 HydrophobicContact CZ3-CE1 4.42Å; W354-Y504 HydrophobicContact CZ3-CG 4.39Å; W354-W505 AromaticContact CZ3-NE1 3.89Å
355	L	95.1	Very high	94.4	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-40.3	-178.6	-68.2	169.5	0	0	0	111.8	I338 I351 D352 C358 L359	I338-L355 HydrophobicContact CD1-CD1 3.76Å; I338-L355 HydrophobicContact CD1-CD2 4.24Å; I351-L355 HydrophobicContact CG1-CD1 4.24Å; I351-L355 HydrophobicContact CG1-CG 4.5Å; I351-L355 WeakPolarHBondContact O-CG 3.29Å; I351-L355 PolarHBondContact O-N 2.89Å; D352-L355 PolarHBondContact O-N 3.42Å; L355-C358 PolarHBondContact O-N 3.44Å; L355-L359 WeakPolarHBondContact O-CB 3.42Å; L355-L359 PolarHBondContact O-N 3.25Å
356	F	95.2	Very high	94.5	Very high	149 Å²	149	42.3 Å²	42.3	65%	0.654	23%	0.233	S	C	*	.	H	α-helix	trans	-62.5	-45.5	177.3	-180	-97.5	0	0	0	111.8	D352 W354 L359 A360	D352-F356 WeakPolarHBondContact O-CB 3.5Å; D352-F356 PolarHBondContact O-N 3.07Å; W354-F356 VanDerWaalsContact C-N 3.35Å; W354-F356 PolarHBondContact O-N 2.82Å; F356-L359 PolarHBondContact O-N 3.15Å; F356-A360 WeakPolarHBondContact O-CB 3.38Å; F356-A360 PolarHBondContact O-N 3.07Å
357	V	96	Very high	94.5	Very high	29 Å²	29	40.6 Å²	40.6	18%	0.176	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-44.3	177.9	173.9	0	0	0	0	110.8	I353 W354 L359 A360 F361 F500	I353-V357 WeakPolarHBondContact O-CG2 3.39Å; I353-V357 PolarHBondContact O-N 2.93Å; W354-V357 PolarHBondContact O-N 3.3Å; V357-L359 VanDerWaalsContact C-N 3.28Å; V357-L359 PolarHBondContact O-N 3.4Å; V357-A360 WeakPolarHBondContact O-CB 3.44Å; V357-A360 PolarHBondContact O-N 2.77Å; V357-A360 VanDerWaalsContact O-N 3.13Å; V357-F361 HydrophobicContact CG1-CD2 3.64Å; V357-F361 HydrophobicContact CG1-CE2 3.61Å; V357-F361 WeakPolarHBondContact O-CD2 3.38Å; V357-F361 PolarHBondContact O-N 2.88Å; V357-F500 HydrophobicContact CB-CD1 4.45Å; V357-F500 HydrophobicContact CB-CD2 4.4Å; V357-F500 HydrophobicContact CB-CE1 3.9Å; V357-F500 HydrophobicContact CB-CE2 3.85Å; V357-F500 HydrophobicContact CB-CZ 3.57Å; V357-F500 HydrophobicContact CG1-CD1 3.64Å; V357-F500 HydrophobicContact CG1-CD2 3.79Å; V357-F500 HydrophobicContact CG1-CE1 3.58Å; V357-F500 HydrophobicContact CG1-CE2 3.75Å; V357-F500 HydrophobicContact CG1-CG 3.73Å; V357-F500 HydrophobicContact CG1-CZ 3.64Å; V357-F500 HydrophobicContact CG2-CD2 4.26Å; V357-F500 HydrophobicContact CG2-CE2 3.64Å; V357-F500 HydrophobicContact CG2-CZ 3.83Å
358	C	96.5	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-45	174.1	-67	0	0	0	0	111.6	V303 L331 W354 L355 F361 V362	V303-C358 HydrophobicContact CG2-CB 3.81Å; L331-C358 HydrophobicContact CD1-CB 4.14Å; L331-C358 HydrophobicContact CD2-CB 4.23Å; W354-C358 PolarHBondContact O-N 2.97Å; W354-C358 PolarHBondContact O-SG 3.2Å; L355-C358 PolarHBondContact O-N 3.44Å; C358-F361 PolarHBondContact O-N 3.15Å; C358-V362 WeakPolarHBondContact O-CG2 3.31Å; C358-V362 PolarHBondContact O-N 2.89Å
359	L	96.3	Very high	94.3	Very high	46 Å²	46	32.6 Å²	32.6	24%	0.241	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-43.1	176.7	-178.6	63.3	0	0	0	111.9	V328 L331 I332 L355 F356 V357 F361 V362 V363	V328-L359 HydrophobicContact CG1-CD1 4.14Å; L331-L359 HydrophobicContact CB-CD1 4.39Å; L331-L359 HydrophobicContact CD1-CB 4.44Å; I332-L359 HydrophobicContact CG1-CD1 4.33Å; L355-L359 WeakPolarHBondContact O-CB 3.42Å; L355-L359 PolarHBondContact O-N 3.25Å; F356-L359 PolarHBondContact O-N 3.15Å; V357-L359 VanDerWaalsContact C-N 3.28Å; V357-L359 PolarHBondContact O-N 3.4Å; L359-F361 VanDerWaalsContact C-N 3.34Å; L359-F361 PolarHBondContact O-N 2.8Å; L359-V362 PolarHBondContact O-N 3.46Å; L359-V363 HydrophobicContact CD1-CG2 4.24Å; L359-V363 HydrophobicContact CG-CG2 4.42Å; L359-V363 WeakPolarHBondContact O-CB 3.32Å; L359-V363 WeakPolarHBondContact O-CG2 3.37Å; L359-V363 PolarHBondContact O-N 2.95Å
360	A	96.4	Very high	94.2	Very high	50 Å²	50	34.8 Å²	34.8	41%	0.413	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-41.6	177.2	0	0	0	0	0	112.1	F356 V357 V363 S364	F356-A360 WeakPolarHBondContact O-CB 3.38Å; F356-A360 PolarHBondContact O-N 3.07Å; V357-A360 WeakPolarHBondContact O-CB 3.44Å; V357-A360 PolarHBondContact O-N 2.77Å; V357-A360 VanDerWaalsContact O-N 3.13Å; A360-V363 PolarHBondContact O-N 3.43Å; A360-S364 WeakPolarHBondContact O-CB 3.36Å; A360-S364 PolarHBondContact O-N 3.38Å
361	F	96.1	Very high	94	Very high	28 Å²	28	39.2 Å²	39.2	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-44.4	174.4	-90.6	-84.6	0	0	0	111.8	V303 V357 C358 L359 S364 S365 Y493 L496 F497	V303-F361 HydrophobicContact CG1-CB 4.32Å; V357-F361 HydrophobicContact CG1-CD2 3.64Å; V357-F361 HydrophobicContact CG1-CE2 3.61Å; V357-F361 WeakPolarHBondContact O-CD2 3.38Å; V357-F361 PolarHBondContact O-N 2.88Å; C358-F361 PolarHBondContact O-N 3.15Å; L359-F361 VanDerWaalsContact C-N 3.34Å; L359-F361 PolarHBondContact O-N 2.8Å; F361-S364 WeakPolarHBondContact O-CB 3.24Å; F361-S364 PolarHBondContact O-N 3Å; F361-S365 PolarHBondContact O-N 3.4Å; F361-Y493 VanDerWaalsContact C-OH 3.23Å; F361-Y493 HydrophobicContact CB-CE2 4.27Å; F361-Y493 HydrophobicContact CD1-CD1 4.46Å; F361-Y493 HydrophobicContact CD1-CD2 4.1Å; F361-Y493 HydrophobicContact CD1-CE1 4.14Å; F361-Y493 AromaticContact CD1-CE2 3.8Å; F361-Y493 HydrophobicContact CD1-CE2 3.8Å; F361-Y493 HydrophobicContact CD1-CG 4.44Å; F361-Y493 AromaticContact CD1-CZ 3.82Å; F361-Y493 WeakPolarHBondContact O-CE2 3.46Å; F361-Y493 PolarHBondContact O-OH 3.5Å; F361-L496 HydrophobicContact CE1-CB 3.85Å; F361-L496 HydrophobicContact CZ-CB 3.82Å; F361-F497 HydrophobicContact CD1-CB 4.2Å; F361-F497 HydrophobicContact CD1-CD2 4.39Å; F361-F497 AromaticContact CD2-CD2 3.83Å; F361-F497 HydrophobicContact CD2-CD2 3.83Å; F361-F497 HydrophobicContact CD2-CE2 4.5Å; F361-F497 HydrophobicContact CE1-CB 3.76Å; F361-F497 HydrophobicContact CE1-CD2 4.43Å; F361-F497 HydrophobicContact CE2-CB 4.47Å; F361-F497 AromaticContact CE2-CD2 3.89Å; F361-F497 HydrophobicContact CE2-CD2 3.89Å; F361-F497 HydrophobicContact CG-CD2 4.11Å; F361-F497 HydrophobicContact CZ-CB 3.92Å; F361-F497 HydrophobicContact CZ-CD2 4.19Å
362	V	95.9	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-44	176.9	177.1	0	0	0	0	111.1	V303 A306 C327 V328 L331 C358 L359 S364 S365 L366	V303-V362 HydrophobicContact CG2-CG2 4.29Å; A306-V362 HydrophobicContact CB-CB 4.42Å; A306-V362 HydrophobicContact CB-CG1 4.29Å; A306-V362 HydrophobicContact CB-CG2 3.92Å; C327-V362 HydrophobicContact CB-CG1 3.48Å; C327-V362 VanDerWaalsContact CB-CG1 3.48Å; C327-V362 HydrophobicContact CB-CG2 4.34Å; V328-V362 HydrophobicContact CG2-CB 4.49Å; V328-V362 HydrophobicContact CG2-CG1 3.59Å; L331-V362 HydrophobicContact CD1-CB 4.09Å; L331-V362 HydrophobicContact CD1-CG2 3.49Å; L331-V362 VanDerWaalsContact CD1-CG2 3.49Å; C358-V362 WeakPolarHBondContact O-CG2 3.31Å; C358-V362 PolarHBondContact O-N 2.89Å; L359-V362 PolarHBondContact O-N 3.46Å; V362-S364 VanDerWaalsContact C-N 3.29Å; V362-S364 PolarHBondContact O-N 2.73Å; V362-S365 WeakPolarHBondContact O-CB 3.39Å; V362-S365 PolarHBondContact O-N 3.07Å; V362-S365 VanDerWaalsContact O-N 3.13Å; V362-S365 PolarHBondContact O-OG 3.06Å; V362-L366 PolarHBondContact O-N 3.1Å
363	V	95.7	Very high	93.4	Very high	59 Å²	59	38 Å²	38	36%	0.358	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-36.5	175.8	172	0	0	0	0	111.6	V328 L359 A360 S365 L366 L367	V328-V363 HydrophobicContact CG2-CG2 4.1Å; L359-V363 HydrophobicContact CD1-CG2 4.24Å; L359-V363 HydrophobicContact CG-CG2 4.42Å; L359-V363 WeakPolarHBondContact O-CB 3.32Å; L359-V363 WeakPolarHBondContact O-CG2 3.37Å; L359-V363 PolarHBondContact O-N 2.95Å; A360-V363 PolarHBondContact O-N 3.43Å; V363-S365 VanDerWaalsContact C-N 3.27Å; V363-S365 PolarHBondContact O-N 3.08Å; V363-L366 WeakPolarHBondContact O-CB 3.48Å; V363-L366 PolarHBondContact O-N 2.87Å; V363-L366 VanDerWaalsContact O-N 3.14Å; V363-L367 HydrophobicContact CG1-CD1 4.12Å; V363-L367 HydrophobicContact CG1-CG 4.32Å; V363-L367 WeakPolarHBondContact O-CG 3.31Å; V363-L367 PolarHBondContact O-N 2.81Å
364	S	93.3	Very high	93	Very high	33 Å²	33	36.8 Å²	36.8	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-35.7	174.7	-169.7	0	0	0	0	112.4	A360 F361 V362 L367 E368	A360-S364 WeakPolarHBondContact O-CB 3.36Å; A360-S364 PolarHBondContact O-N 3.38Å; F361-S364 WeakPolarHBondContact O-CB 3.24Å; F361-S364 PolarHBondContact O-N 3Å; V362-S364 VanDerWaalsContact C-N 3.29Å; V362-S364 PolarHBondContact O-N 2.73Å; S364-L367 PolarHBondContact O-N 3.04Å; S364-E368 WeakPolarHBondContact O-CB 3.28Å; S364-E368 PolarHBondContact O-N 3.46Å
365	S	92.2	Very high	92.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-37.8	174.9	74.1	0	0	0	0	112.4	F361 V362 V363 F369	F361-S365 PolarHBondContact O-N 3.4Å; V362-S365 WeakPolarHBondContact O-CB 3.39Å; V362-S365 PolarHBondContact O-N 3.07Å; V362-S365 VanDerWaalsContact O-N 3.13Å; V362-S365 PolarHBondContact O-OG 3.06Å; V363-S365 VanDerWaalsContact C-N 3.27Å; V363-S365 PolarHBondContact O-N 3.08Å; S365-F369 PolarHBondContact O-N 3.01Å; S365-F369 VanDerWaalsContact O-N 3.08Å
366	L	92.8	Very high	91.8	Very high	34 Å²	34	40.8 Å²	40.8	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-68.9	-38.6	174.5	-78.3	174.5	0	0	0	112.5	L325 V328 V362 V363 F369 A370	L325-L366 HydrophobicContact CD2-CD1 4.2Å; V328-L366 HydrophobicContact CG2-CD1 3.68Å; V362-L366 PolarHBondContact O-N 3.1Å; V363-L366 WeakPolarHBondContact O-CB 3.48Å; V363-L366 PolarHBondContact O-N 2.87Å; V363-L366 VanDerWaalsContact O-N 3.14Å; L366-F369 PolarHBondContact O-N 2.9Å; L366-A370 WeakPolarHBondContact O-CB 3.34Å; L366-A370 PolarHBondContact O-N 2.91Å
367	L	92.9	Very high	91.2	Very high	101 Å²	101	40.4 Å²	40.4	53%	0.529	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-43.1	176.2	-74.3	172.4	0	0	0	111.5	V363 S364 A370 I371	V363-L367 HydrophobicContact CG1-CD1 4.12Å; V363-L367 HydrophobicContact CG1-CG 4.32Å; V363-L367 WeakPolarHBondContact O-CG 3.31Å; V363-L367 PolarHBondContact O-N 2.81Å; S364-L367 PolarHBondContact O-N 3.04Å; L367-A370 PolarHBondContact O-N 2.96Å; L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.5Å; L367-I371 PolarHBondContact O-N 3.45Å
368	E	91.6	Very high	90.4	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-52.8	172.7	-173.4	-67.8	133.4	0	0	110	F310 S364 A370 I371 A372 L485 W489	F310-E368 HydrophobicContact CD1-CG 4.47Å; F310-E368 HydrophobicContact CE1-CB 4.08Å; F310-E368 HydrophobicContact CE1-CG 3.88Å; S364-E368 WeakPolarHBondContact O-CB 3.28Å; S364-E368 PolarHBondContact O-N 3.46Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 2.49Å; E368-I371 CarbonylContact O-C 3.59Å; E368-I371 WeakPolarHBondContact O-CA 3.44Å; E368-I371 WeakPolarHBondContact O-CB 3.48Å; E368-I371 PolarHBondContact O-N 2.63Å; E368-A372 PolarHBondContact O-N 2.85Å; E368-L485 WeakPolarHBondContact OE1-CD2 3.46Å; E368-L485 WeakPolarHBondContact OE1-CG 3.48Å; E368-W489 HydrophobicContact CG-CB 4.07Å; E368-W489 VanDerWaalsContact CG-CD1 3.48Å; E368-W489 HydrophobicContact CG-CD2 4.14Å; E368-W489 HydrophobicContact CG-CG 3.64Å
369	F	90.2	Very high	88.8	Confident	17 Å²	17	51 Å²	51	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-42.1	179.1	168.9	-99.4	0	0	0	112.4	V317 R320 I321 S365 L366 I371 A372 N373	V317-F369 HydrophobicContact CB-CZ 4.38Å; V317-F369 HydrophobicContact CG1-CZ 4.09Å; V317-F369 HydrophobicContact CG2-CZ 4.34Å; R320-F369 HydrophobicContact CB-CD2 3.68Å; R320-F369 HydrophobicContact CB-CE2 3.66Å; R320-F369 HydrophobicContact CB-CG 4.29Å; R320-F369 HydrophobicContact CB-CZ 4.31Å; R320-F369 VanDerWaalsContact CD-CD2 3.4Å; R320-F369 HydrophobicContact CG-CD2 4.21Å; R320-F369 HydrophobicContact CG-CE2 4.28Å; I321-F369 HydrophobicContact CB-CE1 4.48Å; I321-F369 HydrophobicContact CD1-CE1 3.61Å; I321-F369 HydrophobicContact CD1-CZ 3.96Å; I321-F369 HydrophobicContact CG1-CD1 3.89Å; I321-F369 HydrophobicContact CG1-CE1 3.1Å; I321-F369 HydrophobicContact CG1-CZ 3.57Å; S365-F369 PolarHBondContact O-N 3.01Å; S365-F369 VanDerWaalsContact O-N 3.08Å; L366-F369 PolarHBondContact O-N 2.9Å; F369-I371 VanDerWaalsContact C-N 3.29Å; F369-I371 PolarHBondContact O-N 2.87Å; F369-A372 PolarHBondContact O-N 2.79Å; F369-N373 HydrophobicContact CE1-CB 4.49Å; F369-N373 HydrophobicContact CE2-CB 4.38Å; F369-N373 HydrophobicContact CZ-CB 4.24Å; F369-N373 VanDerWaalsContact CZ-ND2 3.34Å; F369-N373 WeakPolarHBondContact CZ-ND2 3.29Å; F369-N373 WeakPolarHBondContact O-CB 3.25Å; F369-N373 PolarHBondContact O-N 2.62Å
370	A	90.9	Very high	87.4	Confident	54 Å²	54	53.2 Å²	53.2	45%	0.446	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-39	177.2	0	0	0	0	0	111.9	L366 L367 E368 S374	L366-A370 WeakPolarHBondContact O-CB 3.34Å; L366-A370 PolarHBondContact O-N 2.91Å; L367-A370 PolarHBondContact O-N 2.96Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 2.49Å; A370-S374 VanDerWaalsContact O-CB 3.23Å; A370-S374 WeakPolarHBondContact O-CB 3.43Å; A370-S374 PolarHBondContact O-N 3.35Å
371	I	89.8	Confident	85.7	Confident	93 Å²	93	58.8 Å²	58.8	48%	0.477	30%	0.3	S	S	.	.	H	α-helix	trans	-68.8	-50.3	175.8	-66.6	164.8	0	0	0	110.4	L367 E368 F369 N373 S374 L375 L485	L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.5Å; L367-I371 PolarHBondContact O-N 3.45Å; E368-I371 CarbonylContact O-C 3.59Å; E368-I371 WeakPolarHBondContact O-CA 3.44Å; E368-I371 WeakPolarHBondContact O-CB 3.48Å; E368-I371 PolarHBondContact O-N 2.63Å; F369-I371 VanDerWaalsContact C-N 3.29Å; F369-I371 PolarHBondContact O-N 2.87Å; I371-N373 VanDerWaalsContact C-N 3.28Å; I371-N373 PolarHBondContact O-N 3.35Å; I371-S374 PolarHBondContact O-N 3.11Å; I371-L375 HydrophobicContact CG2-CD1 3.88Å; I371-L375 HydrophobicContact CG2-CG 4.34Å; I371-L375 WeakPolarHBondContact O-CB 3.43Å; I371-L375 VanDerWaalsContact O-CG 3.3Å; I371-L375 WeakPolarHBondContact O-CG 3.5Å; I371-L375 PolarHBondContact O-N 3.05Å; I371-L485 HydrophobicContact CG2-CD2 3.96Å
372	A	86.9	Confident	83.8	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-55.4	-44.6	178.3	0	0	0	0	0	111.7	E368 F369 L375 A376 L485	E368-A372 PolarHBondContact O-N 2.85Å; F369-A372 PolarHBondContact O-N 2.79Å; A372-L375 PolarHBondContact O-N 3.45Å; A372-A376 WeakPolarHBondContact O-CB 3.48Å; A372-A376 PolarHBondContact O-N 3.05Å; A372-L485 HydrophobicContact CB-CD2 4.2Å
373	N	87.4	Confident	81.7	Confident	14 Å²	14	67.2 Å²	67.2	8%	0.075	36%	0.362	C	S	.	.	H	α-helix	trans	-71.3	-37.4	179.6	-162	-3.5	0	0	0	112.5	F369 I371 A376 R377	F369-N373 HydrophobicContact CE1-CB 4.49Å; F369-N373 HydrophobicContact CE2-CB 4.38Å; F369-N373 HydrophobicContact CZ-CB 4.24Å; F369-N373 VanDerWaalsContact CZ-ND2 3.34Å; F369-N373 WeakPolarHBondContact CZ-ND2 3.29Å; F369-N373 WeakPolarHBondContact O-CB 3.25Å; F369-N373 PolarHBondContact O-N 2.62Å; I371-N373 VanDerWaalsContact C-N 3.28Å; I371-N373 PolarHBondContact O-N 3.35Å; N373-A376 PolarHBondContact O-N 3.44Å; N373-R377 PolarHBondContact ND2-NH1 2.98Å; N373-R377 PolarHBondContact ND2-NH2 3.36Å; N373-R377 WeakPolarHBondContact O-CB 3.43Å; N373-R377 WeakPolarHBondContact O-CG 3.49Å; N373-R377 PolarHBondContact O-N 2.9Å; N373-R377 PolarHBondContact OD1-NE 2.98Å; N373-R377 PolarHBondContact OD1-NH1 3.23Å; N373-R377 VanDerWaalsContact OD1-NH1 3.15Å; N373-R377 PolarHBondContact OD1-NH2 3.29Å
374	S	86.3	Confident	79.4	Confident	44 Å²	44	68.1 Å²	68.1	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-43	172.7	-178.2	0	0	0	0	111.8	A370 I371 R377 R378	A370-S374 VanDerWaalsContact O-CB 3.23Å; A370-S374 WeakPolarHBondContact O-CB 3.43Å; A370-S374 PolarHBondContact O-N 3.35Å; I371-S374 PolarHBondContact O-N 3.11Å; S374-R377 PolarHBondContact O-N 3.46Å; S374-R378 WeakPolarHBondContact O-CB 3.37Å; S374-R378 VanDerWaalsContact O-CG 3.32Å; S374-R378 WeakPolarHBondContact O-CG 3.37Å; S374-R378 PolarHBondContact O-N 3.21Å
375	L	85.1	Confident	76.7	Confident	62 Å²	62	70.8 Å²	70.8	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-64.6	-40	176.4	-70.1	173	0	0	0	112.1	I371 A372 L485	I371-L375 HydrophobicContact CG2-CD1 3.88Å; I371-L375 HydrophobicContact CG2-CG 4.34Å; I371-L375 WeakPolarHBondContact O-CB 3.43Å; I371-L375 VanDerWaalsContact O-CG 3.3Å; I371-L375 WeakPolarHBondContact O-CG 3.5Å; I371-L375 PolarHBondContact O-N 3.05Å; A372-L375 PolarHBondContact O-N 3.45Å; L375-L485 HydrophobicContact CD1-CD2 4.38Å
376	A	81.5	Confident	74.2	Confident	34 Å²	34	78.5 Å²	78.5	28%	0.281	43%	0.433	S	S	.	.	H	α-helix	trans	-63.1	-47.7	173.8	0	0	0	0	0	111.7	A372 N373 R379 S380	A372-A376 WeakPolarHBondContact O-CB 3.48Å; A372-A376 PolarHBondContact O-N 3.05Å; N373-A376 PolarHBondContact O-N 3.44Å; A376-R379 PolarHBondContact O-N 2.91Å; A376-S380 PolarHBondContact O-N 3.21Å
377	R	82	Confident	71.6	Confident	142 Å²	142	82.3 Å²	82.3	54%	0.536	46%	0.463	S	S	.	.	H	α-helix	trans	-68.2	-39.4	-178.8	-78.6	-168.2	-93.6	-107.6	8.1	114.5	N373 S374 R379 S380 K381	N373-R377 PolarHBondContact ND2-NH1 2.98Å; N373-R377 PolarHBondContact ND2-NH2 3.36Å; N373-R377 WeakPolarHBondContact O-CB 3.43Å; N373-R377 WeakPolarHBondContact O-CG 3.49Å; N373-R377 PolarHBondContact O-N 2.9Å; N373-R377 PolarHBondContact OD1-NE 2.98Å; N373-R377 PolarHBondContact OD1-NH1 3.23Å; N373-R377 VanDerWaalsContact OD1-NH1 3.15Å; N373-R377 PolarHBondContact OD1-NH2 3.29Å; S374-R377 PolarHBondContact O-N 3.46Å; R377-R379 PolarHBondContact O-N 3.38Å; R377-S380 PolarHBondContact O-N 3.17Å; R377-K381 PolarHBondContact O-N 3.47Å
378	R	79.3	Confident	69.1	Low	178 Å²	178	84 Å²	84	67%	0.672	48%	0.477	S	S	*	.	H	α-helix	trans	-58.8	-32.2	178.4	-77.2	179.4	-175.6	-158.7	0	112	S374 S382	S374-R378 WeakPolarHBondContact O-CB 3.37Å; S374-R378 VanDerWaalsContact O-CG 3.32Å; S374-R378 WeakPolarHBondContact O-CG 3.37Å; S374-R378 PolarHBondContact O-N 3.21Å; R378-S382 PolarHBondContact O-N 2.58Å
379	R	62.7	Low	66.3	Low	72 Å²	72	90.8 Å²	90.8	27%	0.272	51%	0.513	S	S	.	.	H	α-helix	trans	-80.7	-32.2	179.3	-68.7	-168.8	-174.4	139.2	14.3	113.9	A376 R377 K381 S382 C383 H478	A376-R379 PolarHBondContact O-N 2.91Å; R377-R379 PolarHBondContact O-N 3.38Å; R379-K381 PolarHBondContact O-N 3.08Å; R379-S382 PolarHBondContact O-N 2.99Å; R379-C383 PolarHBondContact O-N 3.07Å; R379-C383 PolarHBondContact O-SG 3.46Å; R379-H478 PolarHBondContact NE-ND1 3.2Å; R379-H478 PolarHBondContact NH1-ND1 2.84Å; R379-H478 PolarHBondContact NH1-O 3.15Å; R379-H478 PolarHBondContact NH2-ND1 3.18Å
380	S	66	Low	63.9	Low	93 Å²	93	98 Å²	98	65%	0.65	55%	0.547	S	S	*	.	H	α-helix	trans	-57.9	-39.2	169.2	173.1	0	0	0	0	111	A376 R377	A376-S380 PolarHBondContact O-N 3.21Å; R377-S380 PolarHBondContact O-N 3.17Å
381	K	61.7	Low	61.4	Low	167 Å²	167	101.5 Å²	101.5	73%	0.726	56%	0.557	S	S	*	*	H	α-helix	trans	-72.7	-36.7	173.3	-65	-172.6	178.7	-174.3	0	113.7	R377 R379 A384	R377-K381 PolarHBondContact O-N 3.47Å; R379-K381 PolarHBondContact O-N 3.08Å; K381-A384 PolarHBondContact O-N 2.9Å; K381-A384 VanDerWaalsContact O-N 3.14Å
382	S	56.7	Low	58.6	Low	90 Å²	90	102.4 Å²	102.4	63%	0.629	57%	0.571	S	S	*	*	H	α-helix	trans	-77.2	-16.5	-178.7	-163.4	0	0	0	0	114.4	R378 R379 A384 P385	R378-S382 PolarHBondContact O-N 2.58Å; R379-S382 PolarHBondContact O-N 2.99Å; S382-A384 VanDerWaalsContact C-N 3.28Å; S382-P385 WeakPolarHBondContact O-CD 3.25Å
383	C	51	Low	56.3	Low	116 Å²	116	107.5 Å²	107.5	78%	0.784	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-0.9	167.3	-64.7	0	0	0	0	112.8	R379	R379-C383 PolarHBondContact O-N 3.07Å; R379-C383 PolarHBondContact O-SG 3.46Å
384	A	46.3	Very low	54.1	Low	78 Å²	78	114.9 Å²	114.9	65%	0.645	64%	0.638	S	S	*	*			trans	-105.9	72.1	170	0	0	0	0	0	112	K381 S382	K381-A384 PolarHBondContact O-N 2.9Å; K381-A384 VanDerWaalsContact O-N 3.14Å; S382-A384 VanDerWaalsContact C-N 3.28Å
385	P	38.3	Very low	51.6	Low	88 Å²	88	118.7 Å²	118.7	57%	0.571	66%	0.663	S	S	*	*			trans	-129.9	127.7	153.1	32.7	-16.1	0	0	0	112.3	S382	S382-P385 WeakPolarHBondContact O-CD 3.25Å
386	N	39.3	Very low	49.4	Very low	164 Å²	164	121.4 Å²	121.4	88%	0.877	68%	0.675	S	S	*	*	S	Bend	trans	75.4	59.2	162.8	-55	-10.6	0	0	0	119.2
387	S	38.5	Very low	47.7	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	70%	0.698	S	S	*	*			trans	-142	53.2	145.4	76.8	0	0	0	0	111.3	N389	S387-N389 VanDerWaalsContact C-N 3.26Å; S387-N389 PolarHBondContact O-N 2.97Å; S387-N389 VanDerWaalsContact O-N 3.11Å
388	V	39	Very low	45.7	Very low	137 Å²	137	121.1 Å²	121.1	83%	0.83	68%	0.684	S	S	*	*			trans	-81.1	84.2	164.5	-177.9	0	0	0	0	106.7
389	N	33.5	Very low	44.1	Very low	148 Å²	148	118.3 Å²	118.3	79%	0.791	69%	0.687	S	S	*	*	S	Bend	trans	-179.1	60.2	154.1	-88.5	-12	0	0	0	108.1	S387	S387-N389 VanDerWaalsContact C-N 3.26Å; S387-N389 PolarHBondContact O-N 2.97Å; S387-N389 VanDerWaalsContact O-N 3.11Å
390	H	38.8	Very low	43.5	Very low	168 Å²	168	118.1 Å²	118.1	78%	0.778	69%	0.694	S	S	*	*	S	Bend	trans	-168.9	103.2	144.6	-115.5	-83.8	0	0	0	109
391	I	39.2	Very low	43.2	Very low	128 Å²	128	118.3 Å²	118.3	66%	0.656	70%	0.695	S	S	*	*			trans	64.8	84.6	148.5	-52.8	172.5	0	0	0	114.6	N393	I391-N393 PolarHBondContact O-N 2.75Å; I391-N393 VanDerWaalsContact O-N 3.08Å
392	S	31.8	Very low	43.3	Very low	111 Å²	111	116.2 Å²	116.2	78%	0.776	69%	0.692	S	S	*	*			trans	-27.6	106.5	139.3	149.8	0	0	0	0	111.5
393	N	37.5	Very low	43.5	Very low	109 Å²	109	116.1 Å²	116.1	58%	0.583	68%	0.681	S	S	*	*			trans	-165.4	61.8	152.2	-86.5	-22.4	0	0	0	107	I391 C395	I391-N393 PolarHBondContact O-N 2.75Å; I391-N393 VanDerWaalsContact O-N 3.08Å; N393-C395 PolarHBondContact O-N 2.76Å
394	D	41.3	Very low	43.9	Very low	169 Å²	169	114.7 Å²	114.7	90%	0.904	67%	0.666	S	S	*	*			trans	-67.1	121.3	171.6	-88.7	-28.2	0	0	0	109	M396	D394-M396 PolarHBondContact O-N 2.7Å; D394-M396 VanDerWaalsContact O-N 3.08Å
395	C	34.3	Very low	45	Very low	124 Å²	124	116.3 Å²	116.3	84%	0.838	66%	0.663	S	S	*	*			trans	-53.2	109.5	177.3	-74.7	0	0	0	0	110.5	N393 V397	N393-C395 PolarHBondContact O-N 2.76Å; C395-V397 PolarHBondContact O-N 2.75Å
396	M	38.5	Very low	46.7	Very low	118 Å²	118	118.9 Å²	118.9	58%	0.581	67%	0.667	S	S	*	*			trans	-72.2	119.1	160.7	-169.1	168.9	70	0	0	107.7	D394 L398 F407	D394-M396 PolarHBondContact O-N 2.7Å; D394-M396 VanDerWaalsContact O-N 3.08Å; M396-L398 HydrophobicContact CE-CD2 3.64Å; M396-L398 HydrophobicContact CE-CG 4.2Å; M396-L398 PolarHBondContact O-N 3.25Å; M396-F407 HydrophobicContact CE-CD2 3.74Å; M396-F407 HydrophobicContact CE-CE2 3.81Å
397	V	45.5	Very low	48	Very low	125 Å²	125	116 Å²	116	76%	0.758	65%	0.647	S	S	*	*			trans	-70.2	99.7	172	178	0	0	0	0	107.3	C395 T399	C395-V397 PolarHBondContact O-N 2.75Å; V397-T399 HydrophobicContact CG1-CG2 4.19Å; V397-T399 PolarHBondContact O-N 3.23Å
398	L	40.2	Very low	49.7	Very low	46 Å²	46	115 Å²	115	24%	0.241	63%	0.632	C	S	.	*			trans	-76	107.3	174.6	-70.3	151.6	0	0	0	107.6	M396 T400 E403 L404 F407	M396-L398 HydrophobicContact CE-CD2 3.64Å; M396-L398 HydrophobicContact CE-CG 4.2Å; M396-L398 PolarHBondContact O-N 3.25Å; L398-T400 PolarHBondContact O-N 2.89Å; L398-E403 HydrophobicContact CD2-CB 3.33Å; L398-E403 HydrophobicContact CD2-CG 4.5Å; L398-L404 HydrophobicContact CD1-CB 4.23Å; L398-L404 HydrophobicContact CD1-CD1 4.45Å; L398-L404 HydrophobicContact CD1-CG 3.89Å; L398-F407 HydrophobicContact CD1-CB 4.45Å
399	T	45.6	Very low	51.4	Low	118 Å²	118	114.7 Å²	114.7	72%	0.724	62%	0.622	S	S	*	*			trans	-83.2	-0.5	-173.9	54.8	0	0	0	0	113.4	V397	V397-T399 HydrophobicContact CG1-CG2 4.19Å; V397-T399 PolarHBondContact O-N 3.23Å
400	T	50.3	Low	53.4	Low	68 Å²	68	115.7 Å²	115.7	42%	0.417	62%	0.619	S	S	.	*	S	Bend	trans	-140.3	147.4	-179.3	63.3	0	0	0	0	111.1	L398 D402 E403	L398-T400 PolarHBondContact O-N 2.89Å; T400-D402 PolarHBondContact O-N 3.4Å; T400-E403 VanDerWaalsContact OG1-CG 3.23Å; T400-E403 WeakPolarHBondContact OG1-CG 3.44Å; T400-E403 PolarHBondContact OG1-OE2 2.9Å; T400-E403 VanDerWaalsContact OG1-OE2 3.12Å
401	S	59.6	Low	54.7	Low	98 Å²	98	113.3 Å²	113.3	69%	0.685	60%	0.604	S	S	*	*	H	α-helix	trans	-61.8	-27.1	178.9	49.6	0	0	0	0	113.2
402	D	64.4	Low	56.4	Low	123 Å²	123	112.6 Å²	112.6	66%	0.658	60%	0.6	S	S	*	*	H	α-helix	trans	-77.7	-37.7	-174.7	-66	-12.7	0	0	0	111.9	T400 L404 L405 E406	T400-D402 PolarHBondContact O-N 3.4Å; D402-L404 PolarHBondContact O-N 2.9Å; D402-L405 PolarHBondContact O-N 2.72Å; D402-E406 PolarHBondContact O-N 2.79Å
403	E	60.7	Low	58.2	Low	87 Å²	87	113 Å²	113	41%	0.407	59%	0.59	S	S	.	*	H	α-helix	trans	-66.5	-27.6	176.5	-67.4	173.2	143.4	0	0	112.1	L398 T400 F407	L398-E403 HydrophobicContact CD2-CB 3.33Å; L398-E403 HydrophobicContact CD2-CG 4.5Å; T400-E403 VanDerWaalsContact OG1-CG 3.23Å; T400-E403 WeakPolarHBondContact OG1-CG 3.44Å; T400-E403 PolarHBondContact OG1-OE2 2.9Å; T400-E403 VanDerWaalsContact OG1-OE2 3.12Å; E403-F407 WeakPolarHBondContact O-CB 3.13Å; E403-F407 PolarHBondContact O-N 2.8Å; E403-F407 VanDerWaalsContact O-N 3.1Å
404	L	59.8	Low	59.7	Low	87 Å²	87	114.6 Å²	114.6	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-71.7	-34.8	179.4	-148	154.6	0	0	0	111.5	L398 D402 L408	L398-L404 HydrophobicContact CD1-CB 4.23Å; L398-L404 HydrophobicContact CD1-CD1 4.45Å; L398-L404 HydrophobicContact CD1-CG 3.89Å; D402-L404 PolarHBondContact O-N 2.9Å; L404-L408 HydrophobicContact CD2-CD1 3.85Å; L404-L408 HydrophobicContact CD2-CG 4.32Å; L404-L408 WeakPolarHBondContact O-CG 3.26Å; L404-L408 PolarHBondContact O-N 3.49Å; L404-L408 VanDerWaalsContact O-N 3.14Å
405	L	68.7	Low	60.6	Low	112 Å²	112	111 Å²	111	59%	0.586	57%	0.571	S	S	*	*	H	α-helix	trans	-71.6	-41.9	176.3	-165	73.1	0	0	0	111.8	D402 F407 L408 Q409	D402-L405 PolarHBondContact O-N 2.72Å; L405-F407 VanDerWaalsContact C-N 3.32Å; L405-F407 PolarHBondContact O-N 3.31Å; L405-L408 PolarHBondContact O-N 2.83Å; L405-Q409 PolarHBondContact O-N 2.82Å
406	E	73.2	Confident	62	Low	141 Å²	141	112.7 Å²	112.7	66%	0.659	56%	0.564	S	S	*	*	H	α-helix	trans	-61.8	-41.1	174.4	-77.8	-164.8	157.5	0	0	111.8	D402 Q409 K410	D402-E406 PolarHBondContact O-N 2.79Å; E406-Q409 PolarHBondContact O-N 2.99Å; E406-K410 WeakPolarHBondContact O-CB 3.4Å; E406-K410 PolarHBondContact O-N 3.08Å
407	F	67.8	Low	62.7	Low	105 Å²	105	112 Å²	112	46%	0.461	56%	0.563	S	S	.	*	H	α-helix	trans	-65.2	-43	179.5	-157.7	-87.4	0	0	0	112	M396 L398 E403 L405 K410 Y411	M396-F407 HydrophobicContact CE-CD2 3.74Å; M396-F407 HydrophobicContact CE-CE2 3.81Å; L398-F407 HydrophobicContact CD1-CB 4.45Å; E403-F407 WeakPolarHBondContact O-CB 3.13Å; E403-F407 PolarHBondContact O-N 2.8Å; E403-F407 VanDerWaalsContact O-N 3.1Å; L405-F407 VanDerWaalsContact C-N 3.32Å; L405-F407 PolarHBondContact O-N 3.31Å; F407-K410 PolarHBondContact O-N 2.85Å; F407-Y411 WeakPolarHBondContact O-CB 3.35Å; F407-Y411 PolarHBondContact O-N 3.41Å
408	L	73	Confident	62.8	Low	93 Å²	93	111.9 Å²	111.9	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-40.3	176.3	-73.7	173.6	0	0	0	112.1	L404 L405 Y411 I412	L404-L408 HydrophobicContact CD2-CD1 3.85Å; L404-L408 HydrophobicContact CD2-CG 4.32Å; L404-L408 WeakPolarHBondContact O-CG 3.26Å; L404-L408 PolarHBondContact O-N 3.49Å; L404-L408 VanDerWaalsContact O-N 3.14Å; L405-L408 PolarHBondContact O-N 2.83Å; L408-Y411 PolarHBondContact O-N 2.86Å; L408-I412 WeakPolarHBondContact O-CD1 3.18Å; L408-I412 VanDerWaalsContact O-CG1 3.26Å; L408-I412 WeakPolarHBondContact O-CG1 3.43Å; L408-I412 PolarHBondContact O-N 2.79Å
409	Q	76.3	Confident	63.2	Low	130 Å²	130	116.3 Å²	116.3	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-62.5	-43.3	174.4	-79.3	-176.8	-26.8	0	0	112.1	L405 E406 Y411 I412 H413	L405-Q409 PolarHBondContact O-N 2.82Å; E406-Q409 PolarHBondContact O-N 2.99Å; Q409-Y411 VanDerWaalsContact C-N 3.32Å; Q409-Y411 PolarHBondContact O-N 3.34Å; Q409-I412 PolarHBondContact O-N 2.76Å; Q409-H413 WeakPolarHBondContact O-CB 3.17Å; Q409-H413 PolarHBondContact O-N 3.12Å
410	K	74.5	Confident	63	Low	169 Å²	169	117.5 Å²	117.5	74%	0.735	58%	0.584	S	S	*	*	H	α-helix	trans	-66	-35.5	179.4	-141.4	170.8	-169.1	171.4	0	112.1	E406 F407 K414	E406-K410 WeakPolarHBondContact O-CB 3.4Å; E406-K410 PolarHBondContact O-N 3.08Å; F407-K410 PolarHBondContact O-N 2.85Å; K410-K414 PolarHBondContact O-N 3.01Å
411	Y	66.4	Low	62.4	Low	119 Å²	119	122.9 Å²	122.9	47%	0.467	60%	0.604	S	S	.	*	H	α-helix	trans	-71.5	-42.9	177.9	-157.8	-97.4	0	0	0	112.3	F407 L408 Q409 H413 K414 I415	F407-Y411 WeakPolarHBondContact O-CB 3.35Å; F407-Y411 PolarHBondContact O-N 3.41Å; L408-Y411 PolarHBondContact O-N 2.86Å; Q409-Y411 VanDerWaalsContact C-N 3.32Å; Q409-Y411 PolarHBondContact O-N 3.34Å; Y411-H413 VanDerWaalsContact C-N 3.31Å; Y411-H413 PolarHBondContact O-N 3.2Å; Y411-K414 PolarHBondContact O-N 2.91Å; Y411-I415 HydrophobicContact CD1-CD1 3.82Å; Y411-I415 HydrophobicContact CD1-CG1 4.47Å; Y411-I415 HydrophobicContact CE1-CD1 3.67Å; Y411-I415 HydrophobicContact CE1-CG1 4.38Å; Y411-I415 PolarHBondContact O-N 3.47Å; Y411-I415 VanDerWaalsContact O-N 3.13Å
412	I	74.2	Confident	61.2	Low	113 Å²	113	124.1 Å²	124.1	58%	0.579	61%	0.613	S	S	*	*	H	α-helix	trans	-63.1	-39	175.6	-68.3	166.9	0	0	0	110.8	L408 Q409 K414 I415 K416	L408-I412 WeakPolarHBondContact O-CD1 3.18Å; L408-I412 VanDerWaalsContact O-CG1 3.26Å; L408-I412 WeakPolarHBondContact O-CG1 3.43Å; L408-I412 PolarHBondContact O-N 2.79Å; Q409-I412 PolarHBondContact O-N 2.76Å; I412-K414 VanDerWaalsContact C-N 3.29Å; I412-K414 PolarHBondContact O-N 3.44Å; I412-I415 PolarHBondContact O-N 2.81Å; I412-K416 WeakPolarHBondContact O-CB 3.41Å; I412-K416 PolarHBondContact O-N 3.14Å; I412-K416 VanDerWaalsContact O-N 3.17Å
413	H	71.2	Confident	59.7	Low	119 Å²	119	125.7 Å²	125.7	55%	0.551	62%	0.622	S	S	*	*	H	α-helix	trans	-67.8	-29.6	177.2	-152.6	-28	0	0	0	112.9	Q409 Y411 N417	Q409-H413 WeakPolarHBondContact O-CB 3.17Å; Q409-H413 PolarHBondContact O-N 3.12Å; Y411-H413 VanDerWaalsContact C-N 3.31Å; Y411-H413 PolarHBondContact O-N 3.2Å; H413-N417 PolarHBondContact ND1-ND2 3.34Å; H413-N417 VanDerWaalsContact O-CG 3.27Å; H413-N417 PolarHBondContact O-N 2.74Å; H413-N417 PolarHBondContact O-ND2 3.26Å
414	K	67.2	Low	58.2	Low	143 Å²	143	129.5 Å²	129.5	62%	0.622	64%	0.639	S	S	*	*	H	α-helix	trans	-75.8	-36.3	178.5	-164.8	175.9	-177.4	-179.1	0	112.7	K410 Y411 I412	K410-K414 PolarHBondContact O-N 3.01Å; Y411-K414 PolarHBondContact O-N 2.91Å; I412-K414 VanDerWaalsContact C-N 3.29Å; I412-K414 PolarHBondContact O-N 3.44Å
415	I	61.1	Low	57.1	Low	94 Å²	94	133.6 Å²	133.6	48%	0.482	65%	0.654	S	S	.	*	H	α-helix	trans	-66.8	-41.6	173.5	-67.9	173.5	0	0	0	110.1	Y411 I412 N417 N418	Y411-I415 HydrophobicContact CD1-CD1 3.82Å; Y411-I415 HydrophobicContact CD1-CG1 4.47Å; Y411-I415 HydrophobicContact CE1-CD1 3.67Å; Y411-I415 HydrophobicContact CE1-CG1 4.38Å; Y411-I415 PolarHBondContact O-N 3.47Å; Y411-I415 VanDerWaalsContact O-N 3.13Å; I412-I415 PolarHBondContact O-N 2.81Å; I415-N417 PolarHBondContact O-N 3.23Å; I415-N418 PolarHBondContact O-N 2.82Å
416	K	62.9	Low	55.4	Low	158 Å²	158	134.1 Å²	134.1	69%	0.687	66%	0.662	S	S	*	*	H	α-helix	trans	-68.6	-18.9	-177.8	-155.2	174.6	-176.5	-177.8	0	114.6	I412	I412-K416 WeakPolarHBondContact O-CB 3.41Å; I412-K416 PolarHBondContact O-N 3.14Å; I412-K416 VanDerWaalsContact O-N 3.17Å
417	N	53.7	Low	53.4	Low	104 Å²	104	134.1 Å²	134.1	56%	0.556	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-7	-179.9	-70.5	-4.9	0	0	0	113.6	H413 I415	H413-N417 PolarHBondContact ND1-ND2 3.34Å; H413-N417 VanDerWaalsContact O-CG 3.27Å; H413-N417 PolarHBondContact O-N 2.74Å; H413-N417 PolarHBondContact O-ND2 3.26Å; I415-N417 PolarHBondContact O-N 3.23Å
418	N	48.7	Very low	51.9	Low	123 Å²	123	136.1 Å²	136.1	66%	0.658	68%	0.676	S	S	*	*	S	Bend	trans	-99.2	-6.9	-176.1	-85.9	1.3	0	0	0	114.1	I415	I415-N418 PolarHBondContact O-N 2.82Å
419	D	46.9	Very low	50	Low	139 Å²	139	137.8 Å²	137.8	74%	0.743	69%	0.685	S	S	*	*	S	Bend	trans	-91.4	6.9	-179.7	-77.4	-22.9	0	0	0	113.9
420	D	41.5	Very low	48	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	69%	0.688	S	S	*	*	S	Bend	trans	-112.5	15.7	-171.8	-83.9	-24.1	0	0	0	115.7
421	Q	38.4	Very low	46.1	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	68%	0.684	S	S	*	*			trans	-147.7	106.3	175.3	-73.6	-174.4	-6.7	0	0	113.4
422	S	34.3	Very low	44.7	Very low	124 Å²	124	135.6 Å²	135.6	87%	0.867	69%	0.694	S	S	*	*				155.5	114.7	117.6	51.7	0	0	0	0	113.1
423	D	32.7	Very low	42.8	Very low	157 Å²	157	137.2 Å²	137.2	84%	0.84	70%	0.703	S	S	*	*			trans	-73.8	156.1	173.4	-65.2	-63.1	0	0	0	113.7
424	E	30.1	Very low	41	Very low	167 Å²	167	136.6 Å²	136.6	78%	0.78	71%	0.711	S	S	*	*			trans	63.5	108.4	140.9	-126.3	-177.1	168.4	0	0	120.4
425	K	35.4	Very low	39.4	Very low	173 Å²	173	140.6 Å²	140.6	75%	0.752	72%	0.722	S	S	*	*				168.1	139.6	103	-91	174.1	-177.2	170.5	0	115
426	T	33.4	Very low	38.3	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	73%	0.726	S	S	*	*			trans	78.6	100.4	146.1	37.5	0	0	0	0	122.3
427	L	31.3	Very low	37.1	Very low	140 Å²	140	139.7 Å²	139.7	73%	0.733	73%	0.725	S	S	*	*				104.5	119.2	105.2	-146.3	88.5	0	0	0	118.9
428	E	35.9	Very low	36.2	Very low	147 Å²	147	139.6 Å²	139.6	69%	0.687	73%	0.729	S	S	*	*			trans	98.6	107.1	141.8	-99.5	170	-163.9	0	0	121.6
429	N	33.2	Very low	35.4	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	73%	0.734	S	S	*	*			trans	71.3	126.2	139.3	-67.1	-7	0	0	0	117.6
430	N	34.2	Very low	34.9	Very low	125 Å²	125	138.8 Å²	138.8	67%	0.668	73%	0.732	S	S	*	*			cis	-159	144.1	21.8	-94	-30.9	0	0	0	111
431	N	35.4	Very low	34.7	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	74%	0.735	S	S	*	*			trans	74.9	107	136.2	-60.6	1.2	0	0	0	121.1
432	D	37.9	Very low	34.8	Very low	127 Å²	127	134.2 Å²	134.2	68%	0.679	73%	0.729	S	S	*	*				103.6	92.6	116.7	-66.3	-14	0	0	0	119.5
433	L	33.7	Very low	34.7	Very low	146 Å²	146	135.2 Å²	135.2	76%	0.764	73%	0.73	S	S	*	*				95.6	115.4	110.8	-107.9	80.5	0	0	0	119.8
434	C	33.6	Very low	34.6	Very low	107 Å²	107	132.5 Å²	132.5	72%	0.723	72%	0.723	S	S	*	*			trans	105.6	81.2	132.3	-77.7	0	0	0	0	120.6
435	R	33.9	Very low	34.8	Very low	227 Å²	227	130.3 Å²	130.3	86%	0.857	72%	0.721	S	S	*	*				48.3	157.4	103.5	-112.1	-157.6	176	158.1	2.4	119.4
436	P	37.8	Very low	34.5	Very low	86 Å²	86	126.7 Å²	126.7	56%	0.558	72%	0.718	S	S	*	*				-151.5	-168.9	-62	43.7	-24.9	0	0	0	115
437	H	36.7	Very low	34.4	Very low	146 Å²	146	126.8 Å²	126.8	68%	0.676	72%	0.718	S	S	*	*			trans	88.9	102.1	142.9	-79.9	-49.5	0	0	0	119.6
438	T	35.1	Very low	34.3	Very low	103 Å²	103	129 Å²	129	63%	0.632	72%	0.722	S	S	*	*				82.8	141.5	94	52.5	0	0	0	0	113.7
439	N	33	Very low	33.9	Very low	143 Å²	143	126.8 Å²	126.8	77%	0.765	72%	0.723	S	S	*	*			cis	-168	170.3	24.5	-113.8	-12.6	0	0	0	111.2
440	S	36	Very low	33.7	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	73%	0.73	S	S	*	*			trans	74.7	94.9	150.9	64	0	0	0	0	122.1
441	S	36.5	Very low	33.6	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	74%	0.736	S	S	*	*				52.8	164.5	98.5	78.5	0	0	0	0	120.9
442	P	39.8	Very low	33.6	Very low	111 Å²	111	129.3 Å²	129.3	72%	0.721	74%	0.737	S	S	*	*				-133.2	171.3	-96.2	32.5	-10.7	0	0	0	114.6
443	T	32.7	Very low	33.2	Very low	145 Å²	145	130.3 Å²	130.3	89%	0.89	74%	0.742	S	S	*	*			trans	-171.3	150.2	142.7	10.9	0	0	0	0	113.7
444	S	31.8	Very low	33.1	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	75%	0.746	S	S	*	*			trans	-40.4	157.6	-179.8	53.1	0	0	0	0	116.1
445	T	32.9	Very low	32.8	Very low	121 Å²	121	136.1 Å²	136.1	74%	0.742	75%	0.752	S	S	*	*				-177.8	142.7	58.3	-39.2	0	0	0	0	111.2
446	S	30.1	Very low	32.6	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	75%	0.752	S	S	*	*			trans	33.6	122.5	153.6	85.3	0	0	0	0	124.1
447	V	30.5	Very low	32.2	Very low	126 Å²	126	134.1 Å²	134.1	76%	0.764	76%	0.758	S	S	*	*				84.4	131.3	121.5	175.2	0	0	0	0	119.8
448	K	29.3	Very low	32.1	Very low	186 Å²	186	135.8 Å²	135.8	81%	0.809	77%	0.771	S	S	*	*			trans	95.8	102.2	159.1	-88.2	165.9	-174.6	-178.3	0	118.3
449	S	28.7	Very low	31.7	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	78%	0.776	S	S	*	*				54.9	115.1	128	64.4	0	0	0	0	118.1
450	M	28.9	Very low	31.6	Very low	170 Å²	170	139.4 Å²	139.4	84%	0.837	78%	0.778	S	S	*	*				165.1	161.6	112.2	-86.6	-176.3	166.4	0	0	108.7
451	I	32	Very low	31.5	Very low	154 Å²	154	144 Å²	144	79%	0.79	79%	0.788	S	S	*	*			trans	83.5	142.9	154.2	-39.4	-166.6	0	0	0	115.4
452	P	35.7	Very low	31.1	Very low	104 Å²	104	148 Å²	148	68%	0.675	79%	0.791	S	S	*	*			cis	-137.7	169.6	-30.1	36.4	-20.4	0	0	0	114.8
453	N	27.8	Very low	30.5	Very low	147 Å²	147	152 Å²	152	79%	0.786	80%	0.797	S	S	*	*			trans	-49	131.3	156.4	-67.9	-46.8	0	0	0	112.6
454	L	31.7	Very low	30.5	Very low	163 Å²	163	152 Å²	152	85%	0.853	79%	0.79	S	S	*	*			trans	-126.2	96.4	162.9	-157.3	81.3	0	0	0	109.2
455	Y	27	Very low	30.3	Very low	213 Å²	213	157.4 Å²	157.4	84%	0.835	80%	0.801	S	S	*	*			trans	-83.8	124.3	158.1	-82.6	-93.6	0	0	0	107.6
456	L	29.7	Very low	30.2	Very low	166 Å²	166	157.3 Å²	157.3	87%	0.869	80%	0.8	S	S	*	*			trans	-155.8	145.2	148.6	-130	107.7	0	0	0	110.6
457	P	30.4	Very low	30.5	Very low	104 Å²	104	159.7 Å²	159.7	68%	0.675	81%	0.81	S	S	*	*			trans	-103.3	164.1	-150.1	40.7	-36.6	0	0	0	113
458	L	34.2	Very low	31	Very low	182 Å²	182	157.6 Å²	157.6	95%	0.953	79%	0.794	S	S	*	*			trans	-145.2	112.6	158.6	-113.2	116.7	0	0	0	113
459	N	27.9	Very low	31.4	Very low	138 Å²	138	156.4 Å²	156.4	74%	0.738	79%	0.792	S	S	*	*			trans	-70.2	153	168	-164.4	-2.8	0	0	0	110.2
460	K	29	Very low	31.8	Very low	183 Å²	183	158.5 Å²	158.5	80%	0.796	80%	0.795	S	S	*	*			trans	76	97.7	168.2	-63.9	176.8	176.3	173	0	118.8
461	Q	35	Very low	32.4	Very low	199 Å²	199	157.4 Å²	157.4	93%	0.93	79%	0.788	S	S	*	*				-137	109.6	127.3	-76.7	-167.8	-12.7	0	0	110.8
462	K	27.5	Very low	32.8	Very low	199 Å²	199	155.8 Å²	155.8	87%	0.865	78%	0.775	S	S	*	*			trans	-76.1	153.4	157.3	-90	177	171	177.9	0	108.4
463	K	28.4	Very low	33.1	Very low	195 Å²	195	154.6 Å²	154.6	85%	0.848	77%	0.765	S	S	*	*			trans	104	123.1	171.4	-69.8	-179.7	175.5	-178.2	0	111.6
464	I	31.9	Very low	33.8	Very low	144 Å²	144	152.9 Å²	152.9	74%	0.738	76%	0.755	S	S	*	*			cis	-150.8	126.7	20.3	-81.8	123.7	0	0	0	107.6	V466	I464-V466 HydrophobicContact CG2-CB 4.3Å
465	K	28.4	Very low	34.4	Very low	215 Å²	215	152.3 Å²	152.3	94%	0.935	75%	0.746	S	S	*	*			trans	-101.5	81.1	166.5	-86.8	-174.1	175.3	-179	0	108.2
466	V	30.5	Very low	35.4	Very low	119 Å²	119	147.8 Å²	147.8	72%	0.721	74%	0.736	S	S	*	*			trans	-156.2	95.3	166.2	-172.5	0	0	0	0	105.7	I464	I464-V466 HydrophobicContact CG2-CB 4.3Å
467	V	35.7	Very low	36.1	Very low	146 Å²	146	146.8 Å²	146.8	89%	0.885	73%	0.725	S	S	*	*	S	Bend	trans	150.3	80.5	162.2	178.3	0	0	0	0	106.5
468	D	40.4	Very low	37	Very low	83 Å²	83	145.5 Å²	145.5	44%	0.444	71%	0.71	S	S	.	*			trans	-161.9	-10.5	165.5	-157.3	26.1	0	0	0	114.5	K472	D468-K472 PolarHBondContact O-N 3.38Å; D468-K472 WeakPolarHBondContact OD2-CE 3.43Å; D468-K472 IonicContact OD2-NZ 2.79Å; D468-K472 PolarHBondContact OD2-NZ 2.86Å
469	E	39.3	Very low	38.1	Very low	161 Å²	161	141.5 Å²	141.5	75%	0.752	69%	0.686	S	S	*	*	H	α-helix	trans	-72.9	-38.1	-179.9	-73.4	-167	154.4	0	0	113	H471 K472 V473	E469-H471 VanDerWaalsContact C-N 3.31Å; E469-H471 PolarHBondContact O-N 2.91Å; E469-K472 PolarHBondContact O-N 2.9Å; E469-V473 WeakPolarHBondContact O-CB 3.06Å; E469-V473 WeakPolarHBondContact O-CG2 3.41Å; E469-V473 PolarHBondContact O-N 3Å
470	N	36	Very low	39.9	Very low	143 Å²	143	138.5 Å²	138.5	77%	0.765	67%	0.67	S	S	*	*	H	α-helix	trans	-71.3	-25.5	-179.9	-70.4	-16.6	0	0	0	113.1	L474	N470-L474 WeakPolarHBondContact O-CB 3.41Å; N470-L474 PolarHBondContact O-N 2.88Å
471	H	42.7	Very low	41.9	Very low	148 Å²	148	135.2 Å²	135.2	69%	0.685	66%	0.656	S	S	*	*	H	α-helix	trans	-82.3	-35	176.5	-122.1	6.2	0	0	0	112.1	E469 K475	E469-H471 VanDerWaalsContact C-N 3.31Å; E469-H471 PolarHBondContact O-N 2.91Å; H471-K475 VanDerWaalsContact O-CB 3.28Å; H471-K475 WeakPolarHBondContact O-CB 3.37Å; H471-K475 PolarHBondContact O-N 3.03Å
472	K	39.4	Very low	43.7	Very low	120 Å²	120	126.1 Å²	126.1	52%	0.522	61%	0.614	S	S	.	*	H	α-helix	trans	-66.2	-45.6	169.3	-83.7	174.1	173.7	140.5	0	112.7	D468 E469 L474 K475 D476	D468-K472 PolarHBondContact O-N 3.38Å; D468-K472 WeakPolarHBondContact OD2-CE 3.43Å; D468-K472 IonicContact OD2-NZ 2.79Å; D468-K472 PolarHBondContact OD2-NZ 2.86Å; E469-K472 PolarHBondContact O-N 2.9Å; K472-L474 VanDerWaalsContact C-N 3.28Å; K472-L474 PolarHBondContact O-N 2.95Å; K472-K475 PolarHBondContact O-N 2.91Å; K472-K475 VanDerWaalsContact O-N 3.13Å; K472-D476 PolarHBondContact O-N 2.9Å
473	V	41.5	Very low	46.1	Very low	79 Å²	79	121.7 Å²	121.7	48%	0.479	60%	0.595	S	S	.	*	H	α-helix	trans	-64.7	-31.4	180	172.9	0	0	0	0	112.1	E469 K477	E469-V473 WeakPolarHBondContact O-CB 3.06Å; E469-V473 WeakPolarHBondContact O-CG2 3.41Å; E469-V473 PolarHBondContact O-N 3Å; V473-K477 PolarHBondContact O-N 3.42Å
474	L	44.1	Very low	48.6	Very low	110 Å²	110	115.5 Å²	115.5	58%	0.576	57%	0.571	S	S	*	*	H	α-helix	trans	-79.8	-31	174.7	-140.4	88	0	0	0	113	N470 K472	N470-L474 WeakPolarHBondContact O-CB 3.41Å; N470-L474 PolarHBondContact O-N 2.88Å; K472-L474 VanDerWaalsContact C-N 3.28Å; K472-L474 PolarHBondContact O-N 2.95Å
475	K	42.8	Very low	51.2	Low	151 Å²	151	110.5 Å²	110.5	66%	0.657	55%	0.545	S	S	*	.	H	α-helix	trans	-68.6	-41.1	175.6	-150.8	173.5	-173	-177.4	0	110.8	H471 K472 H479	H471-K475 VanDerWaalsContact O-CB 3.28Å; H471-K475 WeakPolarHBondContact O-CB 3.37Å; H471-K475 PolarHBondContact O-N 3.03Å; K472-K475 PolarHBondContact O-N 2.91Å; K472-K475 VanDerWaalsContact O-N 3.13Å; K475-H479 WeakPolarHBondContact O-CB 3.42Å; K475-H479 PolarHBondContact O-N 2.76Å; K475-H479 VanDerWaalsContact O-N 3.14Å
476	D	47.7	Very low	53.9	Low	118 Å²	118	100.5 Å²	100.5	63%	0.631	50%	0.502	S	S	*	.	H	α-helix	trans	-64.6	-44.8	176.7	-76.7	-20.5	0	0	0	112.6	K472 H478 D480	K472-D476 PolarHBondContact O-N 2.9Å; D476-H478 PolarHBondContact O-N 2.87Å; D476-H478 VanDerWaalsContact O-N 3.16Å; D476-D480 PolarHBondContact O-N 3.01Å
477	K	45.8	Very low	56.5	Low	146 Å²	146	102.3 Å²	102.3	64%	0.635	50%	0.496	S	S	*	.	H	α-helix	trans	-65.4	-20.5	-177.7	-91.3	-177.9	175.6	176.8	0	115.1	V473	V473-K477 PolarHBondContact O-N 3.42Å
478	H	49.8	Very low	59.1	Low	77 Å²	77	99.5 Å²	99.5	36%	0.356	48%	0.475	S	S	.	.	H	α-helix	trans	-110.8	-25.6	-174.5	-86	-62.4	0	0	0	114.1	R379 D476 D480 K481	R379-H478 PolarHBondContact NE-ND1 3.2Å; R379-H478 PolarHBondContact NH1-ND1 2.84Å; R379-H478 PolarHBondContact NH1-O 3.15Å; R379-H478 PolarHBondContact NH2-ND1 3.18Å; D476-H478 PolarHBondContact O-N 2.87Å; D476-H478 VanDerWaalsContact O-N 3.16Å; H478-D480 PolarHBondContact O-N 2.89Å; H478-K481 PolarHBondContact O-N 2.84Å
479	H	55.9	Low	61.5	Low	98 Å²	98	99.1 Å²	99.1	45%	0.454	47%	0.468	S	S	.	.	H	α-helix	trans	-54.3	-35.1	159.9	-131.4	-87.2	0	0	0	110.9	Y314 K475 K481 F483	Y314-H479 AromaticContact CE1-CE1 3.99Å; Y314-H479 AromaticContact CZ-CE1 3.75Å; Y314-H479 PolarHBondContact OH-CE1 2.96Å; Y314-H479 PolarHBondContact OH-ND1 2.96Å; Y314-H479 PolarHBondContact OH-NE2 3.27Å; Y314-H479 VanDerWaalsContact OH-NE2 3.13Å; K475-H479 WeakPolarHBondContact O-CB 3.42Å; K475-H479 PolarHBondContact O-N 2.76Å; K475-H479 VanDerWaalsContact O-N 3.14Å; H479-K481 VanDerWaalsContact C-N 3.34Å; H479-K481 PolarHBondContact O-N 3.15Å; H479-F483 PolarHBondContact O-N 2.95Å
480	D	66	Low	63.9	Low	74 Å²	74	92.3 Å²	92.3	40%	0.396	44%	0.438	S	S	.	.	H	α-helix	trans	-58.1	-39.4	-179.8	-148.5	9.2	0	0	0	112.4	D476 H478 S482 F483 L484	D476-D480 PolarHBondContact O-N 3.01Å; H478-D480 PolarHBondContact O-N 2.89Å; D480-S482 PolarHBondContact O-N 3.09Å; D480-F483 PolarHBondContact O-N 2.94Å; D480-L484 HydrophobicContact CB-CD1 4.14Å; D480-L484 WeakPolarHBondContact O-CA 3.44Å; D480-L484 WeakPolarHBondContact O-CB 3.44Å; D480-L484 WeakPolarHBondContact O-CD1 3.46Å; D480-L484 WeakPolarHBondContact O-CG 3.3Å; D480-L484 PolarHBondContact O-N 3.08Å; D480-L484 WeakPolarHBondContact OD1-CG 3.48Å
481	K	71.4	Confident	66.6	Low	115 Å²	115	90.1 Å²	90.1	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-68.4	-39.2	-172	-64.4	-159.7	-173.2	179.9	0	115.2	H478 H479 L485	H478-K481 PolarHBondContact O-N 2.84Å; H479-K481 VanDerWaalsContact C-N 3.34Å; H479-K481 PolarHBondContact O-N 3.15Å; K481-L485 PolarHBondContact O-N 3.44Å; K481-L485 VanDerWaalsContact O-N 3.1Å
482	S	72	Confident	69	Low	8 Å²	8	86.6 Å²	86.6	6%	0.056	41%	0.411	C	S	.	.	H	α-helix	trans	-74.1	-40.5	177.3	-65.5	0	0	0	0	110.6	D480 L484 L485 D486	D480-S482 PolarHBondContact O-N 3.09Å; S482-L484 VanDerWaalsContact C-N 3.34Å; S482-L484 PolarHBondContact O-N 3.3Å; S482-L485 WeakPolarHBondContact O-CB 3.18Å; S482-L485 PolarHBondContact O-N 3.38Å; S482-D486 PolarHBondContact O-N 3.42Å; S482-D486 VanDerWaalsContact O-N 3.08Å
483	F	77.9	Confident	71.6	Confident	105 Å²	105	81 Å²	81	46%	0.461	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-39.5	173.5	179.7	-103.2	0	0	0	112.6	H479 D480 L485 D486 R487	H479-F483 PolarHBondContact O-N 2.95Å; D480-F483 PolarHBondContact O-N 2.94Å; F483-L485 VanDerWaalsContact C-N 3.33Å; F483-D486 PolarHBondContact O-N 3.34Å; F483-R487 VanDerWaalsContact O-CB 3.25Å; F483-R487 WeakPolarHBondContact O-CB 3.31Å; F483-R487 PolarHBondContact O-N 2.91Å
484	L	82.4	Confident	74.1	Confident	66 Å²	66	79.1 Å²	79.1	35%	0.346	38%	0.375	S	S	.	.	H	α-helix	trans	-64.8	-37.8	174.3	-75.7	167.5	0	0	0	111	D480 S482 R487 I488	D480-L484 HydrophobicContact CB-CD1 4.14Å; D480-L484 WeakPolarHBondContact O-CA 3.44Å; D480-L484 WeakPolarHBondContact O-CB 3.44Å; D480-L484 WeakPolarHBondContact O-CD1 3.46Å; D480-L484 WeakPolarHBondContact O-CG 3.3Å; D480-L484 PolarHBondContact O-N 3.08Å; D480-L484 WeakPolarHBondContact OD1-CG 3.48Å; S482-L484 VanDerWaalsContact C-N 3.34Å; S482-L484 PolarHBondContact O-N 3.3Å; L484-R487 PolarHBondContact O-N 3.32Å; L484-I488 VanDerWaalsContact O-CB 3.31Å; L484-I488 WeakPolarHBondContact O-CB 3.26Å; L484-I488 WeakPolarHBondContact O-CD1 3.37Å; L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 3.43Å
485	L	84.8	Confident	76.4	Confident	38 Å²	38	78.3 Å²	78.3	20%	0.199	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-54.5	175.6	-172.6	67.3	0	0	0	110.3	E368 I371 A372 L375 K481 S482 F483 R487 I488 W489	E368-L485 WeakPolarHBondContact OE1-CD2 3.46Å; E368-L485 WeakPolarHBondContact OE1-CG 3.48Å; I371-L485 HydrophobicContact CG2-CD2 3.96Å; A372-L485 HydrophobicContact CB-CD2 4.2Å; L375-L485 HydrophobicContact CD1-CD2 4.38Å; K481-L485 PolarHBondContact O-N 3.44Å; K481-L485 VanDerWaalsContact O-N 3.1Å; S482-L485 WeakPolarHBondContact O-CB 3.18Å; S482-L485 PolarHBondContact O-N 3.38Å; F483-L485 VanDerWaalsContact C-N 3.33Å; L485-R487 VanDerWaalsContact C-N 3.28Å; L485-R487 PolarHBondContact O-N 3.05Å; L485-I488 PolarHBondContact O-N 2.9Å; L485-W489 VanDerWaalsContact O-CD1 3.22Å; L485-W489 PolarHBondContact O-N 3.02Å
486	D	85.5	Confident	78.9	Confident	6 Å²	6	75.1 Å²	75.1	3%	0.032	36%	0.36	C	S	.	.	H	α-helix	trans	-54.6	-44.8	176.5	-74	-38.1	0	0	0	111.4	R320 S482 F483 W489 S490	R320-D486 IonicContact CZ-OD1 3.14Å; R320-D486 IonicContact CZ-OD2 3.39Å; R320-D486 VanDerWaalsContact NH1-CG 3.35Å; R320-D486 IonicContact NH1-OD1 2.82Å; R320-D486 PolarHBondContact NH1-OD1 3.27Å; R320-D486 IonicContact NH1-OD2 3.51Å; R320-D486 PolarHBondContact NH1-OD2 2.88Å; R320-D486 VanDerWaalsContact NH2-CG 3.31Å; R320-D486 IonicContact NH2-OD1 2.78Å; R320-D486 PolarHBondContact NH2-OD1 3.43Å; R320-D486 IonicContact NH2-OD2 3.56Å; R320-D486 PolarHBondContact NH2-OD2 3.07Å; S482-D486 PolarHBondContact O-N 3.42Å; S482-D486 VanDerWaalsContact O-N 3.08Å; F483-D486 PolarHBondContact O-N 3.34Å; D486-W489 PolarHBondContact O-N 2.78Å; D486-S490 WeakPolarHBondContact O-CB 3.27Å; D486-S490 PolarHBondContact O-N 3.2Å
487	R	86.5	Confident	81.2	Confident	157 Å²	157	70.2 Å²	70.2	59%	0.592	33%	0.334	S	S	*	.	H	α-helix	trans	-65.9	-39.5	-179.7	-176	173.2	175.9	165.7	-0.5	112.9	F483 L484 L485 I491	F483-R487 VanDerWaalsContact O-CB 3.25Å; F483-R487 WeakPolarHBondContact O-CB 3.31Å; F483-R487 PolarHBondContact O-N 2.91Å; L484-R487 PolarHBondContact O-N 3.32Å; L485-R487 VanDerWaalsContact C-N 3.28Å; L485-R487 PolarHBondContact O-N 3.05Å; R487-I491 PolarHBondContact O-N 3.48Å
488	I	89.7	Confident	83.6	Confident	86 Å²	86	66.2 Å²	66.2	44%	0.441	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-47.9	176.3	-73.1	164.9	0	0	0	109.6	L484 L485 S490 I491 I492	L484-I488 VanDerWaalsContact O-CB 3.31Å; L484-I488 WeakPolarHBondContact O-CB 3.26Å; L484-I488 WeakPolarHBondContact O-CD1 3.37Å; L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 3.43Å; L485-I488 PolarHBondContact O-N 2.9Å; I488-S490 PolarHBondContact O-N 3.38Å; I488-I491 PolarHBondContact O-N 3.27Å; I488-I492 HydrophobicContact CG2-CD1 3.45Å; I488-I492 VanDerWaalsContact CG2-CD1 3.45Å; I488-I492 HydrophobicContact CG2-CG1 4.22Å; I488-I492 WeakPolarHBondContact O-CG1 3.13Å; I488-I492 PolarHBondContact O-N 2.74Å
489	W	90.2	Very high	85.7	Confident	75 Å²	75	67 Å²	67	28%	0.284	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-34.8	179.7	-79.1	101.2	0	0	0	112.8	F310 E368 L485 D486 I491 I492 Y493	F310-W489 HydrophobicContact CD1-CB 4.42Å; F310-W489 HydrophobicContact CE1-CB 4.21Å; F310-W489 HydrophobicContact CZ-CB 4.36Å; E368-W489 HydrophobicContact CG-CB 4.07Å; E368-W489 VanDerWaalsContact CG-CD1 3.48Å; E368-W489 HydrophobicContact CG-CD2 4.14Å; E368-W489 HydrophobicContact CG-CG 3.64Å; L485-W489 VanDerWaalsContact O-CD1 3.22Å; L485-W489 PolarHBondContact O-N 3.02Å; D486-W489 PolarHBondContact O-N 2.78Å; W489-I491 PolarHBondContact O-N 3.38Å; W489-I492 PolarHBondContact O-N 2.89Å; W489-Y493 WeakPolarHBondContact O-CB 3.41Å; W489-Y493 PolarHBondContact O-N 2.91Å
490	S	90.5	Very high	87.6	Confident	18 Å²	18	64 Å²	64	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-57	-30.1	173.5	-179.6	0	0	0	0	112.9	W307 F311 D486 I488 P494	W307-S490 PolarHBondContact NE1-O 3.3Å; F311-S490 VanDerWaalsContact CZ-OG 3.24Å; F311-S490 WeakPolarHBondContact CZ-OG 3.49Å; D486-S490 WeakPolarHBondContact O-CB 3.27Å; D486-S490 PolarHBondContact O-N 3.2Å; I488-S490 PolarHBondContact O-N 3.38Å; S490-P494 WeakPolarHBondContact O-CD 3.38Å; S490-P494 WeakPolarHBondContact O-CG 3.27Å
491	I	91.8	Very high	89	Confident	98 Å²	98	61.7 Å²	61.7	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-90.1	-46.6	176.7	-62.1	169.4	0	0	0	111.5	R487 I488 W489 P494 I495	R487-I491 PolarHBondContact O-N 3.48Å; I488-I491 PolarHBondContact O-N 3.27Å; W489-I491 PolarHBondContact O-N 3.38Å; I491-P494 WeakPolarHBondContact O-CD 3.25Å; I491-P494 WeakPolarHBondContact O-CG 3.42Å; I491-I495 HydrophobicContact CG2-CD1 3.82Å; I491-I495 VanDerWaalsContact O-CD1 3.29Å; I491-I495 WeakPolarHBondContact O-CD1 3.45Å; I491-I495 VanDerWaalsContact O-CG1 3.27Å; I491-I495 WeakPolarHBondContact O-CG1 3.49Å
492	I	92.9	Very high	90.1	Very high	74 Å²	74	57.8 Å²	57.8	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-68.4	-41	-174.4	-69.8	179.8	0	0	0	111.7	I488 W489 I495 L496	I488-I492 HydrophobicContact CG2-CD1 3.45Å; I488-I492 VanDerWaalsContact CG2-CD1 3.45Å; I488-I492 HydrophobicContact CG2-CG1 4.22Å; I488-I492 WeakPolarHBondContact O-CG1 3.13Å; I488-I492 PolarHBondContact O-N 2.74Å; W489-I492 PolarHBondContact O-N 2.89Å; I492-I495 PolarHBondContact O-N 3.41Å; I492-L496 HydrophobicContact CG2-CD1 3.53Å; I492-L496 HydrophobicContact CG2-CG 3.96Å; I492-L496 WeakPolarHBondContact O-CG 3.37Å; I492-L496 PolarHBondContact O-N 3.04Å
493	Y	93.7	Very high	91.2	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-55.5	-55.7	-176	-173.2	-81.8	0	0	0	113.8	V303 W307 F310 F361 W489 I495 L496 F497	V303-Y493 HydrophobicContact CG1-CE1 3.87Å; W307-Y493 HydrophobicContact CB-CD1 3.74Å; W307-Y493 HydrophobicContact CB-CE1 3.69Å; W307-Y493 AromaticContact CD1-CD1 3.87Å; W307-Y493 HydrophobicContact CG-CD1 4.02Å; W307-Y493 HydrophobicContact CG-CE1 4.45Å; F310-Y493 HydrophobicContact CE2-CD1 4.21Å; F310-Y493 AromaticContact CE2-CD2 3.61Å; F310-Y493 HydrophobicContact CE2-CD2 3.61Å; F310-Y493 HydrophobicContact CE2-CE2 4.11Å; F310-Y493 AromaticContact CE2-CG 3.64Å; F310-Y493 HydrophobicContact CE2-CG 3.64Å; F310-Y493 AromaticContact CZ-CD2 3.75Å; F310-Y493 HydrophobicContact CZ-CD2 3.75Å; F310-Y493 HydrophobicContact CZ-CE2 4.12Å; F310-Y493 HydrophobicContact CZ-CG 4.25Å; F361-Y493 VanDerWaalsContact C-OH 3.23Å; F361-Y493 HydrophobicContact CB-CE2 4.27Å; F361-Y493 HydrophobicContact CD1-CD1 4.46Å; F361-Y493 HydrophobicContact CD1-CD2 4.1Å; F361-Y493 HydrophobicContact CD1-CE1 4.14Å; F361-Y493 AromaticContact CD1-CE2 3.8Å; F361-Y493 HydrophobicContact CD1-CE2 3.8Å; F361-Y493 HydrophobicContact CD1-CG 4.44Å; F361-Y493 AromaticContact CD1-CZ 3.82Å; F361-Y493 WeakPolarHBondContact O-CE2 3.46Å; F361-Y493 PolarHBondContact O-OH 3.5Å; W489-Y493 WeakPolarHBondContact O-CB 3.41Å; W489-Y493 PolarHBondContact O-N 2.91Å; Y493-I495 VanDerWaalsContact C-N 3.31Å; Y493-I495 PolarHBondContact O-N 3.28Å; Y493-L496 PolarHBondContact O-N 3.46Å; Y493-F497 PolarHBondContact O-N 3.05Å; Y493-F497 VanDerWaalsContact O-N 3.08Å
494	P	93.9	Very high	92	Very high	38 Å²	38	58 Å²	58	25%	0.247	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-31.1	-179.8	27.6	-36.7	0	0	0	112.4	W307 S490 I491 F497 A498	W307-P494 HydrophobicContact CD2-CB 4.39Å; W307-P494 HydrophobicContact CZ2-CB 4.23Å; W307-P494 HydrophobicContact CZ2-CG 3.95Å; S490-P494 WeakPolarHBondContact O-CD 3.38Å; S490-P494 WeakPolarHBondContact O-CG 3.27Å; I491-P494 WeakPolarHBondContact O-CD 3.25Å; I491-P494 WeakPolarHBondContact O-CG 3.42Å; P494-F497 PolarHBondContact O-N 2.9Å; P494-A498 VanDerWaalsContact O-CB 3.24Å; P494-A498 WeakPolarHBondContact O-CB 3.31Å; P494-A498 PolarHBondContact O-N 2.87Å
495	I	94.2	Very high	92.5	Very high	93 Å²	93	57.7 Å²	57.7	48%	0.477	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-48.6	177.1	-66.5	170.9	0	0	0	110.4	I491 I492 Y493 F497 A498 I499	I491-I495 HydrophobicContact CG2-CD1 3.82Å; I491-I495 VanDerWaalsContact O-CD1 3.29Å; I491-I495 WeakPolarHBondContact O-CD1 3.45Å; I491-I495 VanDerWaalsContact O-CG1 3.27Å; I491-I495 WeakPolarHBondContact O-CG1 3.49Å; I492-I495 PolarHBondContact O-N 3.41Å; Y493-I495 VanDerWaalsContact C-N 3.31Å; Y493-I495 PolarHBondContact O-N 3.28Å; I495-F497 VanDerWaalsContact C-N 3.29Å; I495-F497 PolarHBondContact O-N 3.29Å; I495-A498 PolarHBondContact O-N 3.43Å; I495-I499 HydrophobicContact CG2-CD1 3.99Å; I495-I499 VanDerWaalsContact O-CG1 3.32Å; I495-I499 WeakPolarHBondContact O-CG1 3.48Å; I495-I499 PolarHBondContact O-N 3.05Å
496	L	95.3	Very high	93	Very high	84 Å²	84	62.2 Å²	62.2	44%	0.44	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-41.7	177.2	-72.3	175.8	0	0	0	111.4	F361 I492 Y493 I499 F500	F361-L496 HydrophobicContact CE1-CB 3.85Å; F361-L496 HydrophobicContact CZ-CB 3.82Å; I492-L496 HydrophobicContact CG2-CD1 3.53Å; I492-L496 HydrophobicContact CG2-CG 3.96Å; I492-L496 WeakPolarHBondContact O-CG 3.37Å; I492-L496 PolarHBondContact O-N 3.04Å; Y493-L496 PolarHBondContact O-N 3.46Å; L496-I499 PolarHBondContact O-N 3.39Å; L496-F500 PolarHBondContact O-N 3.5Å
497	F	95.5	Very high	93.3	Very high	16 Å²	16	68 Å²	68	7%	0.07	34%	0.343	C	S	.	.	H	α-helix	trans	-69	-35.9	178.4	-171.3	-116.3	0	0	0	112.6	L300 V303 F361 Y493 P494 I495 F500 N501	L300-F497 HydrophobicContact CD1-CE1 3.49Å; L300-F497 VanDerWaalsContact CD1-CE1 3.49Å; L300-F497 HydrophobicContact CD1-CZ 3.82Å; V303-F497 HydrophobicContact CB-CE1 4.15Å; V303-F497 HydrophobicContact CB-CE2 4.36Å; V303-F497 HydrophobicContact CB-CZ 3.95Å; V303-F497 HydrophobicContact CG1-CD1 3.86Å; V303-F497 HydrophobicContact CG1-CD2 3.95Å; V303-F497 HydrophobicContact CG1-CE1 3.75Å; V303-F497 HydrophobicContact CG1-CE2 3.87Å; V303-F497 HydrophobicContact CG1-CG 3.95Å; V303-F497 HydrophobicContact CG1-CZ 3.76Å; V303-F497 HydrophobicContact CG2-CE2 4.14Å; V303-F497 HydrophobicContact CG2-CZ 4.03Å; F361-F497 HydrophobicContact CD1-CB 4.2Å; F361-F497 HydrophobicContact CD1-CD2 4.39Å; F361-F497 AromaticContact CD2-CD2 3.83Å; F361-F497 HydrophobicContact CD2-CD2 3.83Å; F361-F497 HydrophobicContact CD2-CE2 4.5Å; F361-F497 HydrophobicContact CE1-CB 3.76Å; F361-F497 HydrophobicContact CE1-CD2 4.43Å; F361-F497 HydrophobicContact CE2-CB 4.47Å; F361-F497 AromaticContact CE2-CD2 3.89Å; F361-F497 HydrophobicContact CE2-CD2 3.89Å; F361-F497 HydrophobicContact CG-CD2 4.11Å; F361-F497 HydrophobicContact CZ-CB 3.92Å; F361-F497 HydrophobicContact CZ-CD2 4.19Å; Y493-F497 PolarHBondContact O-N 3.05Å; Y493-F497 VanDerWaalsContact O-N 3.08Å; P494-F497 PolarHBondContact O-N 2.9Å; I495-F497 VanDerWaalsContact C-N 3.29Å; I495-F497 PolarHBondContact O-N 3.29Å; F497-F500 HydrophobicContact CD2-CD1 4.21Å; F497-F500 HydrophobicContact CE2-CD1 4.11Å; F497-F500 PolarHBondContact O-N 3.33Å; F497-N501 WeakPolarHBondContact CD1-ND2 3.48Å; F497-N501 WeakPolarHBondContact CE1-ND2 3.48Å; F497-N501 VanDerWaalsContact CZ-ND2 3.31Å; F497-N501 WeakPolarHBondContact CZ-ND2 3.15Å; F497-N501 PolarHBondContact O-N 3.32Å; F497-N501 PolarHBondContact O-ND2 2.83Å
498	A	94.8	Very high	93.5	Very high	61 Å²	61	61 Å²	61	50%	0.504	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-41.2	174.4	0	0	0	0	0	112.1	P494 I495 N501 G502	P494-A498 VanDerWaalsContact O-CB 3.24Å; P494-A498 WeakPolarHBondContact O-CB 3.31Å; P494-A498 PolarHBondContact O-N 2.87Å; I495-A498 PolarHBondContact O-N 3.43Å; A498-N501 PolarHBondContact O-N 3.43Å; A498-G502 PolarHBondContact O-N 3.1Å
499	I	95.7	Very high	93.4	Very high	94 Å²	94	60.6 Å²	60.6	48%	0.482	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-47.2	173.9	-68.1	165.8	0	0	0	110.2	I495 L496 N501 G502 I503	I495-I499 HydrophobicContact CG2-CD1 3.99Å; I495-I499 VanDerWaalsContact O-CG1 3.32Å; I495-I499 WeakPolarHBondContact O-CG1 3.48Å; I495-I499 PolarHBondContact O-N 3.05Å; L496-I499 PolarHBondContact O-N 3.39Å; I499-N501 PolarHBondContact O-N 3.23Å; I499-G502 PolarHBondContact O-N 2.8Å; I499-I503 HydrophobicContact CG2-CD1 3.87Å; I499-I503 WeakPolarHBondContact O-CG1 3.26Å; I499-I503 PolarHBondContact O-N 3.12Å
500	F	95.7	Very high	93.3	Very high	34 Å²	34	65.3 Å²	65.3	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-47.6	175.8	167.5	-105.7	0	0	0	111.8	W354 V357 L496 F497 G502 I503 Y504	W354-F500 AromaticContact CE3-CE1 3.76Å; W354-F500 HydrophobicContact CE3-CE1 3.76Å; W354-F500 HydrophobicContact CE3-CZ 4.17Å; W354-F500 AromaticContact CZ3-CE1 3.93Å; W354-F500 HydrophobicContact CZ3-CE1 3.93Å; V357-F500 HydrophobicContact CB-CD1 4.45Å; V357-F500 HydrophobicContact CB-CD2 4.4Å; V357-F500 HydrophobicContact CB-CE1 3.9Å; V357-F500 HydrophobicContact CB-CE2 3.85Å; V357-F500 HydrophobicContact CB-CZ 3.57Å; V357-F500 HydrophobicContact CG1-CD1 3.64Å; V357-F500 HydrophobicContact CG1-CD2 3.79Å; V357-F500 HydrophobicContact CG1-CE1 3.58Å; V357-F500 HydrophobicContact CG1-CE2 3.75Å; V357-F500 HydrophobicContact CG1-CG 3.73Å; V357-F500 HydrophobicContact CG1-CZ 3.64Å; V357-F500 HydrophobicContact CG2-CD2 4.26Å; V357-F500 HydrophobicContact CG2-CE2 3.64Å; V357-F500 HydrophobicContact CG2-CZ 3.83Å; L496-F500 PolarHBondContact O-N 3.5Å; F497-F500 HydrophobicContact CD2-CD1 4.21Å; F497-F500 HydrophobicContact CE2-CD1 4.11Å; F497-F500 PolarHBondContact O-N 3.33Å; F500-G502 VanDerWaalsContact C-N 3.34Å; F500-G502 PolarHBondContact O-N 3.11Å; F500-I503 PolarHBondContact O-N 3.05Å; F500-Y504 HydrophobicContact CE2-CD2 4.19Å; F500-Y504 AromaticContact CZ-CD2 3.82Å; F500-Y504 HydrophobicContact CZ-CD2 3.82Å; F500-Y504 HydrophobicContact CZ-CG 4.19Å; F500-Y504 VanDerWaalsContact O-CB 3.25Å; F500-Y504 WeakPolarHBondContact O-CB 3.36Å; F500-Y504 PolarHBondContact O-N 3.34Å
501	N	95.2	Very high	93	Very high	26 Å²	26	69.3 Å²	69.3	14%	0.139	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-47.7	176.7	-89	-89.5	0	0	0	111.3	W354 F497 A498 I499 I503 Y504 W505	W354-N501 WeakPolarHBondContact CH2-OD1 3.44Å; W354-N501 WeakPolarHBondContact CZ3-OD1 3.45Å; F497-N501 WeakPolarHBondContact CD1-ND2 3.48Å; F497-N501 WeakPolarHBondContact CE1-ND2 3.48Å; F497-N501 VanDerWaalsContact CZ-ND2 3.31Å; F497-N501 WeakPolarHBondContact CZ-ND2 3.15Å; F497-N501 PolarHBondContact O-N 3.32Å; F497-N501 PolarHBondContact O-ND2 2.83Å; A498-N501 PolarHBondContact O-N 3.43Å; I499-N501 PolarHBondContact O-N 3.23Å; N501-I503 PolarHBondContact O-N 3.41Å; N501-Y504 PolarHBondContact O-N 2.76Å; N501-W505 WeakPolarHBondContact O-CB 3.21Å; N501-W505 PolarHBondContact O-N 3.42Å; N501-W505 PolarHBondContact OD1-NE1 2.74Å
502	G	94.2	Very high	92.2	Very high	34 Å²	34	69.4 Å²	69.4	35%	0.351	35%	0.349	S	S	.	.	H	α-helix	trans	-55.3	-49.6	177.2	0	0	0	0	0	112.3	A498 I499 F500 I506	A498-G502 PolarHBondContact O-N 3.1Å; I499-G502 PolarHBondContact O-N 2.8Å; F500-G502 VanDerWaalsContact C-N 3.34Å; F500-G502 PolarHBondContact O-N 3.11Å; G502-I506 VanDerWaalsContact O-CB 3.31Å; G502-I506 WeakPolarHBondContact O-CB 3.33Å; G502-I506 VanDerWaalsContact O-CD1 3.28Å; G502-I506 WeakPolarHBondContact O-CD1 3.31Å; G502-I506 WeakPolarHBondContact O-CG1 3.36Å; G502-I506 PolarHBondContact O-N 2.99Å; G502-I506 VanDerWaalsContact O-N 3.07Å
503	I	95	Very high	92.2	Very high	111 Å²	111	69.2 Å²	69.2	57%	0.569	35%	0.347	S	S	*	.	H	α-helix	trans	-64.5	-46.4	179.4	-64.5	168.6	0	0	0	111.2	I499 F500 N501 Y507	I499-I503 HydrophobicContact CG2-CD1 3.87Å; I499-I503 WeakPolarHBondContact O-CG1 3.26Å; I499-I503 PolarHBondContact O-N 3.12Å; F500-I503 PolarHBondContact O-N 3.05Å; N501-I503 PolarHBondContact O-N 3.41Å; I503-Y507 WeakPolarHBondContact O-CB 3.43Å; I503-Y507 PolarHBondContact O-N 3.4Å
504	Y	94.8	Very high	92.1	Very high	7 Å²	7	72.7 Å²	72.7	3%	0.027	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-53.9	-177.9	-177.2	-89.1	0	0	0	111.1	Y296 G350 W354 F500 N501 I506 Y507 F508	Y296-Y504 HydrophobicContact CD1-CE1 4.49Å; Y296-Y504 AromaticContact CE1-CE1 3.56Å; Y296-Y504 HydrophobicContact CE1-CE1 3.56Å; Y296-Y504 AromaticContact CE1-CZ 3.81Å; Y296-Y504 WeakPolarHBondContact CE1-OH 3.4Å; Y296-Y504 PolarHBondContact OH-OH 3.33Å; G350-Y504 WeakPolarHBondContact O-CE2 3.35Å; G350-Y504 PolarHBondContact O-OH 3.23Å; W354-Y504 HydrophobicContact CB-CE2 3.8Å; W354-Y504 HydrophobicContact CD2-CE1 4.46Å; W354-Y504 AromaticContact CE3-CD1 3.67Å; W354-Y504 HydrophobicContact CE3-CD1 3.67Å; W354-Y504 HydrophobicContact CE3-CD2 4.22Å; W354-Y504 AromaticContact CE3-CE1 3.75Å; W354-Y504 HydrophobicContact CE3-CE1 3.75Å; W354-Y504 HydrophobicContact CE3-CE2 4.28Å; W354-Y504 AromaticContact CE3-CG 3.94Å; W354-Y504 HydrophobicContact CE3-CG 3.94Å; W354-Y504 HydrophobicContact CZ3-CD1 4.02Å; W354-Y504 HydrophobicContact CZ3-CE1 4.42Å; W354-Y504 HydrophobicContact CZ3-CG 4.39Å; F500-Y504 HydrophobicContact CE2-CD2 4.19Å; F500-Y504 AromaticContact CZ-CD2 3.82Å; F500-Y504 HydrophobicContact CZ-CD2 3.82Å; F500-Y504 HydrophobicContact CZ-CG 4.19Å; F500-Y504 VanDerWaalsContact O-CB 3.25Å; F500-Y504 WeakPolarHBondContact O-CB 3.36Å; F500-Y504 PolarHBondContact O-N 3.34Å; N501-Y504 PolarHBondContact O-N 2.76Å; Y504-I506 PolarHBondContact O-N 2.63Å; Y504-Y507 PolarHBondContact O-N 3Å; Y504-F508 HydrophobicContact CD1-CD2 4.07Å; Y504-F508 AromaticContact CD2-CD2 3.69Å; Y504-F508 HydrophobicContact CD2-CD2 3.69Å; Y504-F508 AromaticContact CD2-CE2 3.62Å; Y504-F508 HydrophobicContact CD2-CE2 3.62Å; Y504-F508 AromaticContact CE1-CD2 3.83Å; Y504-F508 HydrophobicContact CE1-CD2 3.83Å; Y504-F508 HydrophobicContact CE1-CE2 4.48Å; Y504-F508 HydrophobicContact CE1-CG 4.45Å; Y504-F508 AromaticContact CE2-CD2 3.44Å; Y504-F508 HydrophobicContact CE2-CD2 3.44Å; Y504-F508 VanDerWaalsContact CE2-CD2 3.44Å; Y504-F508 AromaticContact CE2-CE2 3.25Å; Y504-F508 HydrophobicContact CE2-CE2 3.25Å; Y504-F508 HydrophobicContact CE2-CZ 4.24Å; Y504-F508 AromaticContact CG-CD2 3.99Å; Y504-F508 HydrophobicContact CG-CD2 3.99Å; Y504-F508 HydrophobicContact CG-CE2 4.37Å; Y504-F508 AromaticContact CZ-CD2 3.5Å; Y504-F508 VanDerWaalsContact CZ-CD2 3.5Å; Y504-F508 AromaticContact CZ-CE2 3.73Å; Y504-F508 VanDerWaalsContact O-CD2 3.32Å; Y504-F508 WeakPolarHBondContact O-CD2 3.31Å; Y504-F508 PolarHBondContact O-N 3.41Å
505	W	93.7	Very high	92	Very high	59 Å²	59	74.6 Å²	74.6	22%	0.223	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-39.1	-177.3	-71.3	108	0	0	0	111.8	F198 L292 Y296 W354 N501 Y507 L509	F198-W505 HydrophobicContact CE1-CZ3 4.23Å; F198-W505 HydrophobicContact CZ-CE3 4.33Å; F198-W505 HydrophobicContact CZ-CH2 4.35Å; F198-W505 AromaticContact CZ-CZ3 3.67Å; F198-W505 HydrophobicContact CZ-CZ3 3.67Å; L292-W505 HydrophobicContact CD1-CH2 4.36Å; Y296-W505 HydrophobicContact CD1-CH2 4.1Å; Y296-W505 AromaticContact CD1-CZ2 3.9Å; Y296-W505 HydrophobicContact CD1-CZ2 3.9Å; Y296-W505 HydrophobicContact CE1-CH2 4.48Å; Y296-W505 HydrophobicContact CE1-CZ2 4.46Å; Y296-W505 HydrophobicContact CG-CH2 4.16Å; Y296-W505 HydrophobicContact CG-CZ2 4.23Å; W354-W505 AromaticContact CZ3-NE1 3.89Å; N501-W505 WeakPolarHBondContact O-CB 3.21Å; N501-W505 PolarHBondContact O-N 3.42Å; N501-W505 PolarHBondContact OD1-NE1 2.74Å; W505-Y507 VanDerWaalsContact C-N 3.33Å; W505-Y507 PolarHBondContact O-N 2.98Å; W505-L509 HydrophobicContact CB-CD1 4.14Å; W505-L509 HydrophobicContact CE3-CD1 4.31Å; W505-L509 HydrophobicContact CE3-CD2 4.28Å; W505-L509 HydrophobicContact CE3-CG 4.15Å; W505-L509 WeakPolarHBondContact O-CB 3.27Å; W505-L509 WeakPolarHBondContact O-CD1 3.33Å; W505-L509 WeakPolarHBondContact O-CG 3.22Å; W505-L509 PolarHBondContact O-N 2.92Å
506	I	93.3	Very high	91.8	Very high	133 Å²	133	73.5 Å²	73.5	68%	0.682	37%	0.365	S	S	*	.	H	α-helix	trans	-60.7	-43	175.4	-71.5	167.5	0	0	0	111.4	G502 Y504	G502-I506 VanDerWaalsContact O-CB 3.31Å; G502-I506 WeakPolarHBondContact O-CB 3.33Å; G502-I506 VanDerWaalsContact O-CD1 3.28Å; G502-I506 WeakPolarHBondContact O-CD1 3.31Å; G502-I506 WeakPolarHBondContact O-CG1 3.36Å; G502-I506 PolarHBondContact O-N 2.99Å; G502-I506 VanDerWaalsContact O-N 3.07Å; Y504-I506 PolarHBondContact O-N 2.63Å
507	Y	93.3	Very high	91.6	Very high	128 Å²	128	72.9 Å²	72.9	50%	0.502	36%	0.361	S	S	.	.	H	α-helix	trans	-68.4	-48.3	-179	-178.4	-94.8	0	0	0	112.1	I503 Y504 W505 Y511	I503-Y507 WeakPolarHBondContact O-CB 3.43Å; I503-Y507 PolarHBondContact O-N 3.4Å; Y504-Y507 PolarHBondContact O-N 3Å; W505-Y507 VanDerWaalsContact C-N 3.33Å; W505-Y507 PolarHBondContact O-N 2.98Å; Y507-Y511 HydrophobicContact CD1-CE2 4.39Å; Y507-Y511 AromaticContact CE1-CE2 3.94Å; Y507-Y511 HydrophobicContact CE1-CE2 3.94Å; Y507-Y511 WeakPolarHBondContact O-CD2 3.3Å; Y507-Y511 PolarHBondContact OH-OH 3.31Å
508	F	91.1	Very high	91.4	Very high	9 Å²	9	76.7 Å²	76.7	4%	0.039	38%	0.38	C	S	.	.	H	α-helix	trans	-80.3	-31.3	-173.9	-77.6	-73.1	0	0	0	113.7	F198 G350 I353 Y504 K510 Y511	F198-F508 HydrophobicContact CD2-CB 3.64Å; F198-F508 HydrophobicContact CD2-CD1 4.01Å; F198-F508 HydrophobicContact CD2-CG 4.07Å; F198-F508 HydrophobicContact CE2-CB 3.82Å; F198-F508 HydrophobicContact CE2-CG 4.34Å; F198-F508 HydrophobicContact CG-CB 4.24Å; G350-F508 VanDerWaalsContact CA-CZ 3.41Å; I353-F508 HydrophobicContact CD1-CZ 4.43Å; Y504-F508 HydrophobicContact CD1-CD2 4.07Å; Y504-F508 AromaticContact CD2-CD2 3.69Å; Y504-F508 HydrophobicContact CD2-CD2 3.69Å; Y504-F508 AromaticContact CD2-CE2 3.62Å; Y504-F508 HydrophobicContact CD2-CE2 3.62Å; Y504-F508 AromaticContact CE1-CD2 3.83Å; Y504-F508 HydrophobicContact CE1-CD2 3.83Å; Y504-F508 HydrophobicContact CE1-CE2 4.48Å; Y504-F508 HydrophobicContact CE1-CG 4.45Å; Y504-F508 AromaticContact CE2-CD2 3.44Å; Y504-F508 HydrophobicContact CE2-CD2 3.44Å; Y504-F508 VanDerWaalsContact CE2-CD2 3.44Å; Y504-F508 AromaticContact CE2-CE2 3.25Å; Y504-F508 HydrophobicContact CE2-CE2 3.25Å; Y504-F508 HydrophobicContact CE2-CZ 4.24Å; Y504-F508 AromaticContact CG-CD2 3.99Å; Y504-F508 HydrophobicContact CG-CD2 3.99Å; Y504-F508 HydrophobicContact CG-CE2 4.37Å; Y504-F508 AromaticContact CZ-CD2 3.5Å; Y504-F508 VanDerWaalsContact CZ-CD2 3.5Å; Y504-F508 AromaticContact CZ-CE2 3.73Å; Y504-F508 VanDerWaalsContact O-CD2 3.32Å; Y504-F508 WeakPolarHBondContact O-CD2 3.31Å; Y504-F508 PolarHBondContact O-N 3.41Å; F508-K510 PolarHBondContact O-N 2.86Å; F508-Y511 PolarHBondContact O-N 2.73Å
509	L	86.3	Confident	91.1	Very high	77 Å²	77	77.8 Å²	77.8	40%	0.403	37%	0.371	S	S	.	.	H	α-helix	trans	-67	-19.9	175.8	-71	171.6	0	0	0	112.9	F198 W505 Y511 Q512	F198-L509 HydrophobicContact CE1-CD2 4.44Å; W505-L509 HydrophobicContact CB-CD1 4.14Å; W505-L509 HydrophobicContact CE3-CD1 4.31Å; W505-L509 HydrophobicContact CE3-CD2 4.28Å; W505-L509 HydrophobicContact CE3-CG 4.15Å; W505-L509 WeakPolarHBondContact O-CB 3.27Å; W505-L509 WeakPolarHBondContact O-CD1 3.33Å; W505-L509 WeakPolarHBondContact O-CG 3.22Å; W505-L509 PolarHBondContact O-N 2.92Å; L509-Y511 PolarHBondContact O-N 3.37Å; L509-Q512 WeakPolarHBondContact O-CB 3.39Å; L509-Q512 PolarHBondContact O-N 3.44Å; L509-Q512 VanDerWaalsContact O-N 3.12Å; L509-Q512 VanDerWaalsContact O-OXT 3.13Å
510	K	89.2	Confident	90.8	Very high	175 Å²	175	76.5 Å²	76.5	76%	0.761	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.7	173.8	-175.4	179.8	175.2	-175.2	0	113.1	F508 Q512	F508-K510 PolarHBondContact O-N 2.86Å; K510-Q512 VanDerWaalsContact C-N 3.3Å
511	Y	83.5	Confident	90.4	Very high	101 Å²	101	80.1 Å²	80.1	40%	0.396	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-8	178.7	-66.2	-84	0	0	0	113	T195 F198 Y507 F508 L509	T195-Y511 HydrophobicContact CG2-CD1 3.99Å; T195-Y511 HydrophobicContact CG2-CD2 3.98Å; T195-Y511 HydrophobicContact CG2-CE1 3.89Å; T195-Y511 HydrophobicContact CG2-CE2 3.89Å; T195-Y511 HydrophobicContact CG2-CG 4.02Å; F198-Y511 WeakPolarHBondContact O-CB 3.38Å; Y507-Y511 HydrophobicContact CD1-CE2 4.39Å; Y507-Y511 AromaticContact CE1-CE2 3.94Å; Y507-Y511 HydrophobicContact CE1-CE2 3.94Å; Y507-Y511 WeakPolarHBondContact O-CD2 3.3Å; Y507-Y511 PolarHBondContact OH-OH 3.31Å; F508-Y511 PolarHBondContact O-N 2.73Å; L509-Y511 PolarHBondContact O-N 3.37Å
512	Q	74.8	Confident	89.9	Confident	101 Å²	101	85 Å²	85	47%	0.472	40%	0.402	S	S	.	.			trans	-93.5	0	170.1	-168	69.4	1.6	0	0	109.5	K285 F288 L509 K510	K285-Q512 PolarHBondContact NZ-O 3.3Å; F288-Q512 HydrophobicContact CD1-CG 4.39Å; F288-Q512 HydrophobicContact CE1-CG 3.89Å; L509-Q512 WeakPolarHBondContact O-CB 3.39Å; L509-Q512 PolarHBondContact O-N 3.44Å; L509-Q512 VanDerWaalsContact O-N 3.12Å; L509-Q512 VanDerWaalsContact O-OXT 3.13Å; K510-Q512 VanDerWaalsContact C-N 3.3Å

Retrieved 512 of 512 residues in 203.9 ms (Link to these results)

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