A0A077ZAZ1_TRITR Loading...

Carboxylesterase family protein

AlphaFold DB , UniProt , Accession A0A077ZAZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 661 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	39.9	Very low	35.7	Very low	246 Å²	246	140.5 Å²	140.5	100%	1.212	80%	0.8	S	S	*	*				0	88.9	0	-76.3	171.3	166.2	0	0	107.1
2	S	34.8	Very low	35.6	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	80%	0.804	S	S	*	*				83.6	93	111.3	-121.5	0	0	0	0	111.1
3	S	34.3	Very low	35.7	Very low	91 Å²	91	146 Å²	146	64%	0.636	81%	0.812	S	S	*	*				85.8	112.7	68.5	69.7	0	0	0	0	113.8
4	Y	34.2	Very low	35.8	Very low	220 Å²	220	148.9 Å²	148.9	86%	0.863	81%	0.811	S	S	*	*			trans	50.7	136.4	132.4	-71.7	-88.8	0	0	0	121.8
5	L	37.9	Very low	35.8	Very low	151 Å²	151	154.7 Å²	154.7	79%	0.791	82%	0.817	S	S	*	*				155.6	105.8	120.8	-77.8	165	0	0	0	107.9
6	S	34.9	Very low	36	Very low	89 Å²	89	155.8 Å²	155.8	62%	0.622	82%	0.822	S	S	*	*				55.9	129.8	89.2	82.3	0	0	0	0	112.7
7	T	37.9	Very low	36.1	Very low	122 Å²	122	156.1 Å²	156.1	75%	0.748	82%	0.815	S	S	*	*				-174.3	147.2	57.7	35.2	0	0	0	0	111.6
8	S	33	Very low	36.5	Very low	94 Å²	94	153.5 Å²	153.5	66%	0.657	80%	0.802	S	S	*	*			trans	20.7	126.5	143.5	62.1	0	0	0	0	121.2
9	N	35	Very low	37	Very low	148 Å²	148	149.9 Å²	149.9	79%	0.791	80%	0.797	S	S	*	*				176.2	98.8	119.8	-90.7	-20.2	0	0	0	110.4
10	L	37	Very low	37.5	Very low	186 Å²	186	145 Å²	145	97%	0.974	78%	0.784	S	S	*	*			trans	-172.4	56.3	156.4	-99.6	143.4	0	0	0	108.5
11	A	33.5	Very low	38.1	Very low	87 Å²	87	143 Å²	143	72%	0.719	77%	0.769	S	S	*	*			trans	-119.7	81.6	170.3	0	0	0	0	0	107.3
12	N	35	Very low	38.6	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	74%	0.743	S	S	*	*	S	Bend	trans	177.5	68.3	159.7	-90.9	-18.4	0	0	0	109.8
13	E	37.2	Very low	39.5	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	74%	0.74	S	S	*	*	S	Bend	trans	-167.6	-1	161.4	-117.1	171.2	-167.6	0	0	116.9
14	K	36.9	Very low	40.5	Very low	186 Å²	186	139.8 Å²	139.8	81%	0.809	73%	0.731	S	S	*	*			trans	-109.8	18.1	-179.8	-73.8	-173.2	176.9	179.7	0	115.8	L16	K14-L16 PolarHBondContact O-N 3.01Å
15	R	36	Very low	41.5	Very low	237 Å²	237	134.5 Å²	134.5	89%	0.894	72%	0.717	S	S	*	*	S	Bend	trans	-97.8	79.7	171.4	-74.5	-176.4	178.6	-177	0.4	109.4
16	L	38.4	Very low	42.4	Very low	172 Å²	172	132.2 Å²	132.2	90%	0.901	71%	0.705	S	S	*	*	S	Bend	trans	-179.8	-2	157.3	-97.9	151.9	0	0	0	113.4	K14	K14-L16 PolarHBondContact O-N 3.01Å
17	F	37.5	Very low	43.5	Very low	161 Å²	161	133.6 Å²	133.6	71%	0.706	70%	0.704	S	S	*	*	S	Bend	trans	-113.6	8.5	-171	-113.8	-86.7	0	0	0	117.3
18	N	43.3	Very low	44.3	Very low	109 Å²	109	133.1 Å²	133.1	58%	0.583	70%	0.697	S	S	*	*	S	Bend	trans	-120.4	2.1	-170.1	-82.6	-10.8	0	0	0	116.9
19	A	46.6	Very low	45.3	Very low	85 Å²	85	133.2 Å²	133.2	70%	0.702	69%	0.689	S	S	*	*	H	α-helix	trans	-86.2	-28.3	174.4	0	0	0	0	0	113.2
20	G	46.5	Very low	46.2	Very low	51 Å²	51	130.8 Å²	130.8	53%	0.526	68%	0.676	S	S	.	*	H	α-helix	trans	-79.9	-39.3	176.1	0	0	0	0	0	113.3	R23 S24	G20-R23 PolarHBondContact O-N 2.89Å; G20-S24 PolarHBondContact O-N 2.79Å; G20-S24 VanDerWaalsContact O-N 3.15Å; G20-S24 PolarHBondContact O-OG 2.9Å
21	H	50.3	Low	46.9	Very low	104 Å²	104	124.7 Å²	124.7	48%	0.481	65%	0.649	S	S	.	*	H	α-helix	trans	-72.3	-27.6	177.6	-77.7	-53.3	0	0	0	113.5	S24 L25	H21-S24 PolarHBondContact O-N 3.21Å; H21-L25 WeakPolarHBondContact O-CB 3.39Å; H21-L25 PolarHBondContact O-N 2.83Å
22	L	49.8	Very low	47.6	Very low	126 Å²	126	123.7 Å²	123.7	66%	0.66	63%	0.634	S	S	*	*	H	α-helix	trans	-68	-36.8	173.1	-127.6	79.7	0	0	0	111.8	L26	L22-L26 VanDerWaalsContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CB 3.11Å; L22-L26 PolarHBondContact O-N 2.91Å
23	R	54.4	Low	48.1	Very low	194 Å²	194	119.8 Å²	119.8	73%	0.732	62%	0.618	S	S	*	*	H	α-helix	trans	-70.4	-38.5	174.9	-80.7	-175.2	172.3	-171.2	-1.6	112.1	G20 L26 L27	G20-R23 PolarHBondContact O-N 2.89Å; R23-L26 PolarHBondContact O-N 3.1Å; R23-L27 VanDerWaalsContact O-CB 3.29Å; R23-L27 WeakPolarHBondContact O-CB 3.4Å; R23-L27 WeakPolarHBondContact O-CD1 3.44Å; R23-L27 WeakPolarHBondContact O-CG 3.16Å; R23-L27 PolarHBondContact O-N 2.67Å
24	S	54.8	Low	48.4	Very low	62 Å²	62	115.6 Å²	115.6	43%	0.434	61%	0.606	S	S	.	*	H	α-helix	trans	-71.3	-35.4	174.6	-61.3	0	0	0	0	112.7	G20 H21 L28	G20-S24 PolarHBondContact O-N 2.79Å; G20-S24 VanDerWaalsContact O-N 3.15Å; G20-S24 PolarHBondContact O-OG 2.9Å; H21-S24 PolarHBondContact O-N 3.21Å; S24-L28 WeakPolarHBondContact O-CB 3.18Å; S24-L28 WeakPolarHBondContact O-CD1 3.01Å; S24-L28 PolarHBondContact O-N 3.08Å
25	L	55.6	Low	48.7	Very low	108 Å²	108	117 Å²	117	57%	0.565	61%	0.608	S	S	*	*	H	α-helix	trans	-68.6	-38.5	170.6	-109.1	95.7	0	0	0	111.7	H21 L28 L29	H21-L25 WeakPolarHBondContact O-CB 3.39Å; H21-L25 PolarHBondContact O-N 2.83Å; L25-L28 PolarHBondContact O-N 3.03Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 WeakPolarHBondContact O-CD1 3.36Å; L25-L29 WeakPolarHBondContact O-CG 3.09Å; L25-L29 PolarHBondContact O-N 3.29Å
26	L	56.9	Low	49	Very low	104 Å²	104	111.5 Å²	111.5	55%	0.545	60%	0.6	S	S	.	*	H	α-helix	trans	-68	-36.8	176.2	-147.3	83.6	0	0	0	111	L22 R23 L29 L30	L22-L26 VanDerWaalsContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CB 3.11Å; L22-L26 PolarHBondContact O-N 2.91Å; R23-L26 PolarHBondContact O-N 3.1Å; L26-L29 PolarHBondContact O-N 2.73Å; L26-L30 HydrophobicContact CD2-CD1 4.21Å; L26-L30 HydrophobicContact CG-CD1 4.13Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CD1 3.27Å; L26-L30 WeakPolarHBondContact O-CD1 3.41Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.12Å
27	L	57.4	Low	48.9	Very low	117 Å²	117	107.5 Å²	107.5	61%	0.613	59%	0.587	S	S	*	*	H	α-helix	trans	-73.3	-32.5	175.4	-78.9	159	0	0	0	112.8	R23 S31	R23-L27 VanDerWaalsContact O-CB 3.29Å; R23-L27 WeakPolarHBondContact O-CB 3.4Å; R23-L27 WeakPolarHBondContact O-CD1 3.44Å; R23-L27 WeakPolarHBondContact O-CG 3.16Å; R23-L27 PolarHBondContact O-N 2.67Å; L27-S31 VanDerWaalsContact O-CB 3.23Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.15Å; L27-S31 PolarHBondContact O-OG 2.95Å
28	L	55.2	Low	48.7	Very low	113 Å²	113	109.2 Å²	109.2	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-73.9	-34.6	169.3	-97.9	122.7	0	0	0	112.1	S24 L25 S31 T32	S24-L28 WeakPolarHBondContact O-CB 3.18Å; S24-L28 WeakPolarHBondContact O-CD1 3.01Å; S24-L28 PolarHBondContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 3.03Å; L28-S31 PolarHBondContact O-OG 3.16Å; L28-T32 VanDerWaalsContact O-CB 3.24Å; L28-T32 WeakPolarHBondContact O-CB 3.4Å; L28-T32 WeakPolarHBondContact O-CG2 3.09Å; L28-T32 PolarHBondContact O-N 3.14Å; L28-T32 PolarHBondContact O-OG1 3.14Å
29	L	54.5	Low	48.5	Very low	95 Å²	95	108 Å²	108	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-71.8	-31.3	172.8	-77.3	161.4	0	0	0	111.6	L25 L26 T32 C33	L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 WeakPolarHBondContact O-CD1 3.36Å; L25-L29 WeakPolarHBondContact O-CG 3.09Å; L25-L29 PolarHBondContact O-N 3.29Å; L26-L29 PolarHBondContact O-N 2.73Å; L29-T32 WeakPolarHBondContact CA-OG1 3.43Å; L29-T32 PolarHBondContact O-OG1 3.31Å; L29-C33 WeakPolarHBondContact O-CA 3.38Å; L29-C33 WeakPolarHBondContact O-CB 3.4Å; L29-C33 PolarHBondContact O-N 3.36Å; L29-C33 PolarHBondContact O-SG 2.75Å
30	L	53.9	Low	48.4	Very low	98 Å²	98	109.7 Å²	109.7	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-80.1	-32.4	173.7	-72.9	161.8	0	0	0	112.1	L26 T34	L26-L30 HydrophobicContact CD2-CD1 4.21Å; L26-L30 HydrophobicContact CG-CD1 4.13Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CD1 3.27Å; L26-L30 WeakPolarHBondContact O-CD1 3.41Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.12Å; L30-T34 WeakPolarHBondContact O-CG2 3.41Å; L30-T34 PolarHBondContact O-N 2.8Å; L30-T34 PolarHBondContact O-OG1 3.1Å; L30-T34 VanDerWaalsContact O-OG1 3.05Å
31	S	51.3	Low	48.3	Very low	58 Å²	58	115.5 Å²	115.5	41%	0.406	60%	0.604	S	S	.	*	H	α-helix	trans	-80.3	-27.6	174.2	82.3	0	0	0	0	113.2	L27 L28 T34 Y35	L27-S31 VanDerWaalsContact O-CB 3.23Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.15Å; L27-S31 PolarHBondContact O-OG 2.95Å; L28-S31 PolarHBondContact O-OG 3.16Å; S31-T34 WeakPolarHBondContact CA-OG1 3.43Å; S31-T34 PolarHBondContact O-OG1 2.98Å; S31-Y35 PolarHBondContact O-N 2.79Å
32	T	48.5	Very low	48.4	Very low	66 Å²	66	115.9 Å²	115.9	41%	0.405	60%	0.601	S	S	.	*	H	α-helix	trans	-79.3	-32.2	167.1	55.7	0	0	0	0	111.3	L28 L29 Y35 V36	L28-T32 VanDerWaalsContact O-CB 3.24Å; L28-T32 WeakPolarHBondContact O-CB 3.4Å; L28-T32 WeakPolarHBondContact O-CG2 3.09Å; L28-T32 PolarHBondContact O-N 3.14Å; L28-T32 PolarHBondContact O-OG1 3.14Å; L29-T32 WeakPolarHBondContact CA-OG1 3.43Å; L29-T32 PolarHBondContact O-OG1 3.31Å; T32-Y35 PolarHBondContact O-N 3.29Å; T32-V36 WeakPolarHBondContact O-CB 3.43Å; T32-V36 WeakPolarHBondContact O-CG2 3.25Å; T32-V36 PolarHBondContact O-N 3.3Å
33	C	45.8	Very low	48.7	Very low	77 Å²	77	115.4 Å²	115.4	52%	0.52	60%	0.595	S	S	.	*	H	α-helix	trans	-67	-32.3	169.2	-82.1	0	0	0	0	113.1	L29 Y35 S37	L29-C33 WeakPolarHBondContact O-CA 3.38Å; L29-C33 WeakPolarHBondContact O-CB 3.4Å; L29-C33 PolarHBondContact O-N 3.36Å; L29-C33 PolarHBondContact O-SG 2.75Å; C33-Y35 VanDerWaalsContact C-N 3.35Å; C33-S37 PolarHBondContact O-N 2.98Å; C33-S37 PolarHBondContact O-OG 2.76Å; C33-S37 VanDerWaalsContact O-OG 3.05Å
34	T	42.8	Very low	49.4	Very low	105 Å²	105	109.3 Å²	109.3	64%	0.644	58%	0.577	S	S	*	*	H	α-helix	trans	-79.1	-16.4	174.2	52.5	0	0	0	0	113.7	L30 S31	L30-T34 WeakPolarHBondContact O-CG2 3.41Å; L30-T34 PolarHBondContact O-N 2.8Å; L30-T34 PolarHBondContact O-OG1 3.1Å; L30-T34 VanDerWaalsContact O-OG1 3.05Å; S31-T34 WeakPolarHBondContact CA-OG1 3.43Å; S31-T34 PolarHBondContact O-OG1 2.98Å
35	Y	43.4	Very low	50.8	Low	214 Å²	214	111.1 Å²	111.1	84%	0.839	58%	0.579	S	S	*	*	H	α-helix	trans	-94.9	-14.5	170.1	-96.2	-90.4	0	0	0	114.4	S31 T32 C33	S31-Y35 PolarHBondContact O-N 2.79Å; T32-Y35 PolarHBondContact O-N 3.29Å; C33-Y35 VanDerWaalsContact C-N 3.35Å
36	V	42.2	Very low	52.5	Low	122 Å²	122	110.5 Å²	110.5	74%	0.739	58%	0.581	S	S	*	*	H	α-helix	trans	-106.2	4.9	-176.5	176.8	0	0	0	0	113	T32	T32-V36 WeakPolarHBondContact O-CB 3.43Å; T32-V36 WeakPolarHBondContact O-CG2 3.25Å; T32-V36 PolarHBondContact O-N 3.3Å
37	S	35.4	Very low	54.2	Low	88 Å²	88	107.2 Å²	107.2	62%	0.615	57%	0.565	S	S	*	*			trans	-121.3	33.7	173.3	67.4	0	0	0	0	114.9	C33 A39	C33-S37 PolarHBondContact O-N 2.98Å; C33-S37 PolarHBondContact O-OG 2.76Å; C33-S37 VanDerWaalsContact O-OG 3.05Å; S37-A39 PolarHBondContact O-N 3.28Å
38	K	34.9	Very low	56	Low	198 Å²	198	106.4 Å²	106.4	86%	0.861	56%	0.558	S	S	*	*			trans	-73.8	66.9	140.8	-85.2	-171.7	179	-178.2	0	107.5	F40	K38-F40 PolarHBondContact O-N 2.82Å
39	A	37.6	Very low	57.9	Low	82 Å²	82	103 Å²	103	68%	0.678	54%	0.54	S	S	*	.			trans	-54.5	117.3	151.4	0	0	0	0	0	104.2	S37 Q41	S37-A39 PolarHBondContact O-N 3.28Å; A39-Q41 PolarHBondContact O-N 2.79Å
40	F	44.7	Very low	59.9	Low	122 Å²	122	102.7 Å²	102.7	54%	0.535	54%	0.543	S	S	.	.			trans	-57.9	92.9	-177.8	-149.1	-93.5	0	0	0	106.7	K38 R42 T62	K38-F40 PolarHBondContact O-N 2.82Å; F40-R42 PolarHBondContact O-N 3.09Å; F40-T62 HydrophobicContact CE1-CG2 4.18Å
41	Q	44.2	Very low	62	Low	172 Å²	172	98.4 Å²	98.4	80%	0.804	52%	0.52	S	S	*	.			trans	-69.8	110.2	-175.4	-154.8	175.8	-3.4	0	0	104.7	A39 E43	A39-Q41 PolarHBondContact O-N 2.79Å; Q41-E43 PolarHBondContact O-N 3.49Å
42	R	53	Low	64.1	Low	113 Å²	113	99.1 Å²	99.1	43%	0.426	53%	0.525	S	S	.	.			trans	-64.8	98.3	-179.2	-149.5	-173.9	-162.7	176.1	7.9	107.2	F40 N44 D170	F40-R42 PolarHBondContact O-N 3.09Å; R42-N44 WeakPolarHBondContact CG-OD1 3.38Å; R42-N44 PolarHBondContact O-N 3.05Å; R42-D170 IonicContact CZ-OD1 2.74Å; R42-D170 IonicContact NH2-OD1 3.94Å; R42-D170 PolarHBondContact NH2-OD1 3.48Å
43	E	56.7	Low	66.4	Low	116 Å²	116	96.3 Å²	96.3	54%	0.542	51%	0.508	S	S	.	.			trans	-76.2	109.2	172.9	-74.8	-176.8	172.6	0	0	107.8	Q41	Q41-E43 PolarHBondContact O-N 3.49Å
44	N	69.7	Low	68.8	Low	65 Å²	65	93.2 Å²	93.2	35%	0.348	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.6	176.5	-67.8	14.7	0	0	0	108.7	R42 E59 L60 L61	R42-N44 WeakPolarHBondContact CG-OD1 3.38Å; R42-N44 PolarHBondContact O-N 3.05Å; N44-E59 PolarHBondContact ND2-OE1 3.25Å; N44-L60 VanDerWaalsContact CA-O 3.31Å; N44-L60 WeakPolarHBondContact CA-O 3.28Å; N44-L61 HydrophobicContact CB-CD2 4.2Å; N44-L61 WeakPolarHBondContact ND2-CD2 3.22Å; N44-L61 WeakPolarHBondContact OD1-CD2 3.03Å
45	H	83.3	Confident	71.5	Confident	101 Å²	101	89.8 Å²	89.8	47%	0.468	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.2	171.2	-59.9	-72.5	0	0	0	110.3	V47 E59 L60	H45-V47 PolarHBondContact O-N 3.4Å; H45-E59 CarbonylContact O-C 3.54Å; H45-E59 WeakPolarHBondContact O-CA 3.38Å; H45-L60 HydrophobicContact CB-CB 4.21Å; H45-L60 PolarHBondContact N-O 3.15Å; H45-L60 VanDerWaalsContact N-O 3.08Å; H45-L60 PolarHBondContact O-N 3.31Å
46	P	90.6	Very high	74.1	Confident	95 Å²	95	79.6 Å²	79.6	62%	0.617	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	136.6	178.2	27.8	-34	0	0	0	110.7	R57	P46-R57 HydrophobicContact CB-CG 4.07Å
47	V	94	Very high	76.7	Confident	34 Å²	34	78.4 Å²	78.4	21%	0.206	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125	173.8	-179.6	0	0	0	0	108.7	H45 R57 G58 L60 T69 F71	H45-V47 PolarHBondContact O-N 3.4Å; V47-R57 CarbonylContact O-C 3.53Å; V47-R57 WeakPolarHBondContact O-CA 3.3Å; V47-G58 PolarHBondContact N-O 3.05Å; V47-G58 VanDerWaalsContact N-O 3.09Å; V47-G58 PolarHBondContact O-N 2.99Å; V47-L60 HydrophobicContact CG2-CB 3.66Å; V47-T69 HydrophobicContact CG1-CG2 4.47Å; V47-T69 HydrophobicContact CG2-CG2 4.26Å; V47-F71 HydrophobicContact CB-CZ 4.24Å; V47-F71 HydrophobicContact CG1-CZ 3.92Å
48	E	95.1	Very high	79.7	Confident	101 Å²	101	74.3 Å²	74.3	47%	0.472	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.7	178.9	-64.1	-172.4	178.6	0	0	111.2	I56 R57 V98	E48-I56 VanDerWaalsContact CA-O 3.28Å; E48-I56 WeakPolarHBondContact CA-O 3.36Å; E48-R57 HydrophobicContact CG-CB 4.05Å; E48-R57 HydrophobicContact CG-CG 4Å; E48-R57 IonicContact OE1-CZ 3.15Å; E48-R57 IonicContact OE1-NE 2.79Å; E48-R57 PolarHBondContact OE1-NE 3.17Å; E48-R57 IonicContact OE1-NH2 2.67Å; E48-R57 PolarHBondContact OE1-NH2 2.89Å; E48-V98 HydrophobicContact CG-CG1 4.27Å
49	L	94.6	Very high	82.5	Confident	41 Å²	41	66.7 Å²	66.7	22%	0.215	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.8	175.4	-63.7	175.6	0	0	0	109.1	S55 I56 F71 I225 F226	L49-S55 CarbonylContact O-C 3.56Å; L49-S55 WeakPolarHBondContact O-CA 3.36Å; L49-I56 HydrophobicContact CB-CG1 4.37Å; L49-I56 PolarHBondContact N-O 3.41Å; L49-I56 PolarHBondContact O-N 3.05Å; L49-F71 HydrophobicContact CB-CE1 4.43Å; L49-F71 HydrophobicContact CB-CZ 4.43Å; L49-F71 HydrophobicContact CD1-CE1 3.99Å; L49-F71 HydrophobicContact CD1-CE2 3.64Å; L49-F71 HydrophobicContact CD1-CZ 3.27Å; L49-F71 HydrophobicContact CG-CE1 4.18Å; L49-F71 HydrophobicContact CG-CZ 3.72Å; L49-I225 HydrophobicContact CB-CG2 4.06Å; L49-I225 HydrophobicContact CD1-CG2 4.3Å; L49-I225 HydrophobicContact CD2-CG2 4.39Å; L49-I225 HydrophobicContact CG-CG2 4.49Å; L49-F226 HydrophobicContact CD1-CD1 3.97Å; L49-F226 HydrophobicContact CD1-CE1 4.17Å
50	T	96.8	Very high	85.3	Confident	89 Å²	89	64.3 Å²	64.3	55%	0.546	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.6	175.8	-61.1	0	0	0	0	110.3	S55 I225	T50-S55 PolarHBondContact OG1-OG 3.26Å; T50-I225 WeakPolarHBondContact O-CD1 3.2Å
51	I	96.7	Very high	87.6	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.036	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	174.7	175	60.2	168.1	0	0	0	110.6	S53 G54 I56 I74 W95 W218 N222 I225 F226	I51-S53 PolarHBondContact O-N 2.83Å; I51-S53 VanDerWaalsContact O-N 3.15Å; I51-G54 WeakPolarHBondContact CG1-O 3.35Å; I51-G54 PolarHBondContact N-O 3.11Å; I51-G54 PolarHBondContact O-N 3.26Å; I51-G54 VanDerWaalsContact O-N 3.08Å; I51-I56 HydrophobicContact CD1-CG2 4.13Å; I51-I56 HydrophobicContact CG1-CG2 4.31Å; I51-I56 HydrophobicContact CG2-CD1 4.12Å; I51-I74 HydrophobicContact CD1-CG2 3.7Å; I51-W95 HydrophobicContact CD1-CH2 3.95Å; I51-W95 HydrophobicContact CD1-CZ2 4.21Å; I51-W95 HydrophobicContact CG1-CZ2 4.43Å; I51-W218 HydrophobicContact CD1-CZ2 3.88Å; I51-N222 HydrophobicContact CG2-CB 4.38Å; I51-I225 HydrophobicContact CG2-CD1 4.27Å; I51-F226 HydrophobicContact CG2-CE2 3.65Å; I51-F226 HydrophobicContact CG2-CZ 3.69Å
52	S	96.1	Very high	89.9	Confident	73 Å²	73	51.3 Å²	51.3	51%	0.51	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.8	-177.9	51.9	0	0	0	0	114.6	N222	S52-N222 WeakPolarHBondContact CB-OD1 3.38Å; S52-N222 PolarHBondContact N-OD1 3.13Å; S52-N222 PolarHBondContact OG-ND2 3.12Å; S52-N222 PolarHBondContact OG-OD1 3.43Å
53	S	96.6	Very high	91.6	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.049	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.1	179.4	-55.8	0	0	0	0	114.5	I51 S94 W95	I51-S53 PolarHBondContact O-N 2.83Å; I51-S53 VanDerWaalsContact O-N 3.15Å; S53-S94 CarbonylContact O-C 3.57Å; S53-S94 WeakPolarHBondContact O-CA 3.42Å; S53-S94 WeakPolarHBondContact O-CB 3.4Å; S53-W95 PolarHBondContact O-N 3.19Å
54	G	97.4	Very high	93.1	Very high	12 Å²	12	45.1 Å²	45.1	12%	0.124	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.3	-176.6	-178.4	0	0	0	0	0	113.8	I51	I51-G54 WeakPolarHBondContact CG1-O 3.35Å; I51-G54 PolarHBondContact N-O 3.11Å; I51-G54 PolarHBondContact O-N 3.26Å; I51-G54 VanDerWaalsContact O-N 3.08Å
55	S	98.2	Very high	94.1	Very high	34 Å²	34	46 Å²	46	24%	0.238	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142	178.3	-54.7	0	0	0	0	111.5	L49 T50 W95 V98 M99	L49-S55 CarbonylContact O-C 3.56Å; L49-S55 WeakPolarHBondContact O-CA 3.36Å; T50-S55 PolarHBondContact OG1-OG 3.26Å; S55-W95 PolarHBondContact O-NE1 2.02Å; S55-V98 WeakPolarHBondContact O-CA 3.36Å; S55-M99 PolarHBondContact O-N 3.42Å
56	I	98	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.2	179.3	59.9	175.4	0	0	0	110.7	E48 L49 I51 F71 I74 W95 M99 A101 F226	E48-I56 VanDerWaalsContact CA-O 3.28Å; E48-I56 WeakPolarHBondContact CA-O 3.36Å; L49-I56 HydrophobicContact CB-CG1 4.37Å; L49-I56 PolarHBondContact N-O 3.41Å; L49-I56 PolarHBondContact O-N 3.05Å; I51-I56 HydrophobicContact CD1-CG2 4.13Å; I51-I56 HydrophobicContact CG1-CG2 4.31Å; I51-I56 HydrophobicContact CG2-CD1 4.12Å; I56-F71 HydrophobicContact CD1-CB 4.48Å; I56-F71 HydrophobicContact CD1-CD1 3.58Å; I56-F71 HydrophobicContact CD1-CE1 4.1Å; I56-F71 HydrophobicContact CD1-CG 4.21Å; I56-F71 HydrophobicContact CG1-CD1 3.94Å; I56-F71 HydrophobicContact CG1-CE1 4.11Å; I56-I74 HydrophobicContact CD1-CD1 3.75Å; I56-I74 HydrophobicContact CD1-CG1 4.2Å; I56-W95 HydrophobicContact CG2-CH2 4.44Å; I56-W95 HydrophobicContact CG2-CZ2 3.63Å; I56-M99 CarbonylContact C-O 3.56Å; I56-M99 VanDerWaalsContact CA-O 3.29Å; I56-M99 WeakPolarHBondContact CA-O 3.29Å; I56-M99 HydrophobicContact CG2-CB 4.39Å; I56-A101 HydrophobicContact CB-CB 4.19Å; I56-F226 HydrophobicContact CD1-CE1 3.88Å; I56-F226 HydrophobicContact CD1-CZ 3.67Å
57	R	98	Very high	94.6	Very high	97 Å²	97	44.9 Å²	44.9	37%	0.366	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.4	173.6	-175.5	-176.7	-63.4	144.4	0.5	110.5	P46 V47 E48 V98 M99 A101	P46-R57 HydrophobicContact CB-CG 4.07Å; V47-R57 CarbonylContact O-C 3.53Å; V47-R57 WeakPolarHBondContact O-CA 3.3Å; E48-R57 HydrophobicContact CG-CB 4.05Å; E48-R57 HydrophobicContact CG-CG 4Å; E48-R57 IonicContact OE1-CZ 3.15Å; E48-R57 IonicContact OE1-NE 2.79Å; E48-R57 PolarHBondContact OE1-NE 3.17Å; E48-R57 IonicContact OE1-NH2 2.67Å; E48-R57 PolarHBondContact OE1-NH2 2.89Å; R57-V98 HydrophobicContact CB-CG1 3.69Å; R57-M99 PolarHBondContact N-O 2.76Å; R57-A101 CarbonylContact O-C 3.58Å; R57-A101 WeakPolarHBondContact O-CA 3.34Å; R57-A101 PolarHBondContact O-N 3.08Å
58	G	97	Very high	94.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-157.7	170.2	0	0	0	0	0	111.8	V47 V70 F71	V47-G58 PolarHBondContact N-O 3.05Å; V47-G58 VanDerWaalsContact N-O 3.09Å; V47-G58 PolarHBondContact O-N 2.99Å; G58-V70 CarbonylContact C-O 3.46Å; G58-V70 VanDerWaalsContact CA-O 3.24Å; G58-V70 WeakPolarHBondContact CA-O 3.01Å; G58-F71 VanDerWaalsContact CA-CD1 3.48Å; G58-F71 VanDerWaalsContact N-CE1 3.29Å
59	E	95.1	Very high	94.8	Very high	39 Å²	39	39.1 Å²	39.1	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.2	-179.6	-50.4	-178.9	104.8	0	0	110.8	N44 H45 L61 T69 V70 T102	N44-E59 PolarHBondContact ND2-OE1 3.25Å; H45-E59 CarbonylContact O-C 3.54Å; H45-E59 WeakPolarHBondContact O-CA 3.38Å; E59-L61 HydrophobicContact CB-CD2 3.75Å; E59-L61 HydrophobicContact CB-CG 4.15Å; E59-T69 CarbonylContact O-C 3.48Å; E59-T69 WeakPolarHBondContact O-CA 3.25Å; E59-V70 PolarHBondContact N-O 2.95Å; E59-V70 PolarHBondContact O-N 2.99Å; E59-T102 HydrophobicContact CG-CG2 3.53Å
60	L	95	Very high	94.9	Very high	31 Å²	31	37.2 Å²	37.2	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.6	158.5	-174.8	72	0	0	0	107.2	N44 H45 V47 H67 F68 T69 P141	N44-L60 VanDerWaalsContact CA-O 3.31Å; N44-L60 WeakPolarHBondContact CA-O 3.28Å; H45-L60 HydrophobicContact CB-CB 4.21Å; H45-L60 PolarHBondContact N-O 3.15Å; H45-L60 VanDerWaalsContact N-O 3.08Å; H45-L60 PolarHBondContact O-N 3.31Å; V47-L60 HydrophobicContact CG2-CB 3.66Å; L60-H67 HydrophobicContact CD1-CB 4.18Å; L60-F68 CarbonylContact C-O 3.52Å; L60-F68 WeakPolarHBondContact CA-O 3.5Å; L60-T69 HydrophobicContact CD1-CG2 3.76Å; L60-P141 HydrophobicContact CD1-CB 4.19Å; L60-P141 HydrophobicContact CD1-CG 4.03Å
61	L	92.7	Very high	95	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144	-178.3	-56.5	-179.9	0	0	0	110	N44 E59 H67 F68 V70 L173	N44-L61 HydrophobicContact CB-CD2 4.2Å; N44-L61 WeakPolarHBondContact ND2-CD2 3.22Å; N44-L61 WeakPolarHBondContact OD1-CD2 3.03Å; E59-L61 HydrophobicContact CB-CD2 3.75Å; E59-L61 HydrophobicContact CB-CG 4.15Å; L61-H67 CarbonylContact O-C 3.12Å; L61-H67 VanDerWaalsContact O-CA 3.31Å; L61-H67 WeakPolarHBondContact O-CA 3.4Å; L61-F68 PolarHBondContact N-O 3.33Å; L61-F68 PolarHBondContact O-N 2.79Å; L61-V70 HydrophobicContact CD1-CB 4.05Å; L61-V70 HydrophobicContact CD1-CG2 3.6Å; L61-V70 HydrophobicContact CG-CG2 4.28Å; L61-L173 HydrophobicContact CD1-CD1 4.31Å
62	T	92.3	Very high	95	Very high	21 Å²	21	33.6 Å²	33.6	13%	0.129	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.8	171	-53	0	0	0	0	109.9	F40 Q66 H67	F40-T62 HydrophobicContact CE1-CG2 4.18Å; T62-Q66 CarbonylContact C-O 3.51Å; T62-Q66 WeakPolarHBondContact CA-O 3.1Å; T62-H67 PolarHBondContact OG1-CE1 3.36Å; T62-H67 VanDerWaalsContact OG1-CE1 3.24Å; T62-H67 PolarHBondContact OG1-ND1 3.4Å
63	L	90.3	Very high	95.1	Very high	14 Å²	14	30.7 Å²	30.7	7%	0.073	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129.6	177.3	-179.5	69	0	0	0	109	A65 Q66 F68 D170 L173 R174	L63-A65 PolarHBondContact O-N 2.72Å; L63-Q66 PolarHBondContact N-O 2.68Å; L63-Q66 PolarHBondContact O-N 3.24Å; L63-Q66 VanDerWaalsContact O-O 3.13Å; L63-F68 HydrophobicContact CB-CD2 4.13Å; L63-F68 HydrophobicContact CB-CE2 3.9Å; L63-D170 HydrophobicContact CD2-CB 3.87Å; L63-L173 HydrophobicContact CD2-CB 3.95Å; L63-L173 HydrophobicContact CD2-CD1 4.25Å; L63-R174 HydrophobicContact CD2-CG 3.85Å
64	D	88.3	Confident	95.1	Very high	85 Å²	85	30.3 Å²	30.3	46%	0.455	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	42.5	179.9	-54.8	-32.4	0	0	0	114	Q66 R174	D64-Q66 PolarHBondContact O-N 3.35Å; D64-R174 IonicContact OD1-NH2 3.88Å; D64-R174 WeakPolarHBondContact OD2-CD 3.06Å; D64-R174 WeakPolarHBondContact OD2-CG 3.37Å; D64-R174 IonicContact OD2-CZ 2.77Å; D64-R174 IonicContact OD2-NE 3.57Å; D64-R174 PolarHBondContact OD2-NE 3.11Å; D64-R174 IonicContact OD2-NH2 3.67Å
65	A	89.5	Confident	95.2	Very high	84 Å²	84	30.5 Å²	30.5	69%	0.694	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	16.6	-177.3	0	0	0	0	0	115.2	L63	L63-A65 PolarHBondContact O-N 2.72Å
66	Q	92	Very high	95.2	Very high	88 Å²	88	28.9 Å²	28.9	41%	0.411	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	149	171	-65.2	-178.7	53.6	0	0	110.7	T62 L63 D64 F68	T62-Q66 CarbonylContact C-O 3.51Å; T62-Q66 WeakPolarHBondContact CA-O 3.1Å; L63-Q66 PolarHBondContact N-O 2.68Å; L63-Q66 PolarHBondContact O-N 3.24Å; L63-Q66 VanDerWaalsContact O-O 3.13Å; D64-Q66 PolarHBondContact O-N 3.35Å; Q66-F68 HydrophobicContact CB-CE1 4.42Å; Q66-F68 HydrophobicContact CB-CE2 3.71Å; Q66-F68 HydrophobicContact CB-CZ 3.57Å
67	H	93.5	Very high	95.2	Very high	83 Å²	83	29 Å²	29	38%	0.384	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.6	176.8	-61.1	-60.2	0	0	0	110.6	L60 L61 T62 P141	L60-H67 HydrophobicContact CD1-CB 4.18Å; L61-H67 CarbonylContact O-C 3.12Å; L61-H67 VanDerWaalsContact O-CA 3.31Å; L61-H67 WeakPolarHBondContact O-CA 3.4Å; T62-H67 PolarHBondContact OG1-CE1 3.36Å; T62-H67 VanDerWaalsContact OG1-CE1 3.24Å; T62-H67 PolarHBondContact OG1-ND1 3.4Å; H67-P141 VanDerWaalsContact C-CG 3.47Å; H67-P141 HydrophobicContact CB-CG 3.71Å; H67-P141 WeakPolarHBondContact O-CD 3.42Å; H67-P141 WeakPolarHBondContact O-CG 3.04Å
68	F	96	Very high	95.2	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.022	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144	-178.7	-57.5	-73.4	0	0	0	110.4	L60 L61 L63 Q66 L173 V177	L60-F68 CarbonylContact C-O 3.52Å; L60-F68 WeakPolarHBondContact CA-O 3.5Å; L61-F68 PolarHBondContact N-O 3.33Å; L61-F68 PolarHBondContact O-N 2.79Å; L63-F68 HydrophobicContact CB-CD2 4.13Å; L63-F68 HydrophobicContact CB-CE2 3.9Å; Q66-F68 HydrophobicContact CB-CE1 4.42Å; Q66-F68 HydrophobicContact CB-CE2 3.71Å; Q66-F68 HydrophobicContact CB-CZ 3.57Å; F68-L173 HydrophobicContact CB-CD1 4.16Å; F68-L173 HydrophobicContact CB-CD2 3.71Å; F68-L173 HydrophobicContact CB-CG 4.47Å; F68-L173 HydrophobicContact CD1-CB 4.49Å; F68-L173 HydrophobicContact CD1-CD2 4.06Å; F68-L173 HydrophobicContact CD2-CB 4.19Å; F68-L173 HydrophobicContact CD2-CD1 3.99Å; F68-L173 HydrophobicContact CD2-CD2 4.4Å; F68-L173 HydrophobicContact CD2-CG 4.41Å; F68-L173 HydrophobicContact CE2-CB 4.27Å; F68-L173 HydrophobicContact CG-CB 4.28Å; F68-L173 HydrophobicContact CG-CD1 4.14Å; F68-L173 HydrophobicContact CG-CD2 3.79Å; F68-L173 HydrophobicContact CG-CG 4.28Å; F68-L173 HydrophobicContact CZ-CB 4.45Å; F68-V177 HydrophobicContact CD1-CB 3.91Å; F68-V177 HydrophobicContact CD1-CG1 3.53Å; F68-V177 HydrophobicContact CE1-CB 4.04Å; F68-V177 HydrophobicContact CE1-CG1 4.01Å
69	T	96.5	Very high	95.3	Very high	10 Å²	10	28.1 Å²	28.1	6%	0.061	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.3	170.9	50.3	0	0	0	0	110.3	V47 E59 L60 S139 P141	V47-T69 HydrophobicContact CG1-CG2 4.47Å; V47-T69 HydrophobicContact CG2-CG2 4.26Å; E59-T69 CarbonylContact O-C 3.48Å; E59-T69 WeakPolarHBondContact O-CA 3.25Å; L60-T69 HydrophobicContact CD1-CG2 3.76Å; T69-S139 PolarHBondContact N-O 2.96Å; T69-S139 PolarHBondContact O-N 3.35Å; T69-S139 PolarHBondContact O-OG 2.92Å; T69-S139 PolarHBondContact OG1-O 3.22Å; T69-S139 PolarHBondContact OG1-OG 2.67Å; T69-P141 HydrophobicContact CG2-CB 4.23Å
70	V	97.6	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.4	-174.2	178.2	0	0	0	0	110.7	G58 E59 L61 K72 F138 L173	G58-V70 CarbonylContact C-O 3.46Å; G58-V70 VanDerWaalsContact CA-O 3.24Å; G58-V70 WeakPolarHBondContact CA-O 3.01Å; E59-V70 PolarHBondContact N-O 2.95Å; E59-V70 PolarHBondContact O-N 2.99Å; L61-V70 HydrophobicContact CD1-CB 4.05Å; L61-V70 HydrophobicContact CD1-CG2 3.6Å; L61-V70 HydrophobicContact CG-CG2 4.28Å; V70-K72 HydrophobicContact CG1-CD 4.06Å; V70-K72 HydrophobicContact CG1-CG 3.93Å; V70-F138 HydrophobicContact CB-CD1 4.28Å; V70-F138 HydrophobicContact CG1-CD1 3.61Å; V70-F138 HydrophobicContact CG1-CE1 3.6Å; V70-F138 HydrophobicContact CG2-CD1 3.82Å; V70-L173 HydrophobicContact CG2-CD1 4.38Å; V70-L173 HydrophobicContact CG2-CD2 4.01Å
71	F	98.2	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.6	174.1	-57.3	-100	0	0	0	108.9	V47 L49 I56 G58 I74 A101 N136 V137 F226	V47-F71 HydrophobicContact CB-CZ 4.24Å; V47-F71 HydrophobicContact CG1-CZ 3.92Å; L49-F71 HydrophobicContact CB-CE1 4.43Å; L49-F71 HydrophobicContact CB-CZ 4.43Å; L49-F71 HydrophobicContact CD1-CE1 3.99Å; L49-F71 HydrophobicContact CD1-CE2 3.64Å; L49-F71 HydrophobicContact CD1-CZ 3.27Å; L49-F71 HydrophobicContact CG-CE1 4.18Å; L49-F71 HydrophobicContact CG-CZ 3.72Å; I56-F71 HydrophobicContact CD1-CB 4.48Å; I56-F71 HydrophobicContact CD1-CD1 3.58Å; I56-F71 HydrophobicContact CD1-CE1 4.1Å; I56-F71 HydrophobicContact CD1-CG 4.21Å; I56-F71 HydrophobicContact CG1-CD1 3.94Å; I56-F71 HydrophobicContact CG1-CE1 4.11Å; G58-F71 VanDerWaalsContact CA-CD1 3.48Å; G58-F71 VanDerWaalsContact N-CE1 3.29Å; F71-I74 HydrophobicContact CB-CD1 3.79Å; F71-I74 HydrophobicContact CB-CG1 4.46Å; F71-A101 CarbonylContact C-O 3.51Å; F71-A101 WeakPolarHBondContact CA-O 3.31Å; F71-A101 HydrophobicContact CB-CB 4.39Å; F71-A101 HydrophobicContact CD1-CB 4.45Å; F71-N136 CarbonylContact O-C 3.53Å; F71-N136 VanDerWaalsContact O-CA 3.27Å; F71-N136 WeakPolarHBondContact O-CA 3.47Å; F71-V137 PolarHBondContact N-O 2.62Å; F71-V137 PolarHBondContact O-N 3.07Å; F71-F226 HydrophobicContact CB-CE1 4.16Å; F71-F226 HydrophobicContact CD1-CE1 4.27Å; F71-F226 AromaticContact CD2-CD1 3.75Å; F71-F226 HydrophobicContact CD2-CD1 3.75Å; F71-F226 AromaticContact CD2-CE1 3.62Å; F71-F226 HydrophobicContact CD2-CE1 3.62Å; F71-F226 AromaticContact CE2-CD1 3.97Å; F71-F226 HydrophobicContact CE2-CD1 3.97Å; F71-F226 HydrophobicContact CE2-CE1 4.06Å; F71-F226 HydrophobicContact CG-CD1 4.36Å; F71-F226 AromaticContact CG-CE1 3.76Å; F71-F226 HydrophobicContact CG-CE1 3.76Å
72	K	97.4	Very high	95.5	Very high	21 Å²	21	30.1 Å²	30.1	9%	0.091	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.5	-175.8	-68.6	173.7	-68.5	-171.3	0	110.7	V70 A101 T102 H103 Y104 N136 F138	V70-K72 HydrophobicContact CG1-CD 4.06Å; V70-K72 HydrophobicContact CG1-CG 3.93Å; K72-A101 PolarHBondContact N-O 3.3Å; K72-A101 CarbonylContact O-C 3.6Å; K72-A101 WeakPolarHBondContact O-CA 3.41Å; K72-A101 WeakPolarHBondContact O-CB 3.48Å; K72-T102 WeakPolarHBondContact CE-O 3.34Å; K72-T102 PolarHBondContact NZ-O 2.93Å; K72-H103 CarbonylContact C-O 3.44Å; K72-H103 WeakPolarHBondContact CB-O 3.49Å; K72-H103 VanDerWaalsContact O-O 3.11Å; K72-Y104 HydrophobicContact CD-CD1 4.31Å; K72-Y104 HydrophobicContact CD-CD2 3.83Å; K72-Y104 HydrophobicContact CD-CE1 4.07Å; K72-Y104 HydrophobicContact CD-CE2 3.53Å; K72-Y104 HydrophobicContact CD-CG 4.2Å; K72-Y104 HydrophobicContact CG-CD1 4.38Å; K72-Y104 HydrophobicContact CG-CE1 4.23Å; K72-N136 VanDerWaalsContact CA-OD1 3.29Å; K72-N136 WeakPolarHBondContact CA-OD1 3.31Å; K72-N136 WeakPolarHBondContact CB-OD1 3.31Å; K72-N136 HydrophobicContact CG-CB 4.19Å; K72-F138 HydrophobicContact CD-CE1 4.4Å; K72-F138 HydrophobicContact CG-CE1 4.35Å; K72-F138 HydrophobicContact CG-CZ 4.32Å
73	G	96.9	Very high	95.5	Very high	11 Å²	11	32.9 Å²	32.9	11%	0.113	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	34.4	174.7	0	0	0	0	0	114	H103 Y134 I135 N136	G73-H103 WeakPolarHBondContact CA-O 3.42Å; G73-H103 PolarHBondContact N-O 3.39Å; G73-Y134 VanDerWaalsContact O-CD1 3.26Å; G73-Y134 WeakPolarHBondContact O-CD1 3.24Å; G73-I135 PolarHBondContact N-O 3.4Å; G73-N136 PolarHBondContact N-OD1 3.19Å
74	I	98.4	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.2	175	-54.6	162.2	0	0	0	108.4	I51 I56 F71 Y76 A101 Y134 I135 V137 W218 F226	I51-I74 HydrophobicContact CD1-CG2 3.7Å; I56-I74 HydrophobicContact CD1-CD1 3.75Å; I56-I74 HydrophobicContact CD1-CG1 4.2Å; F71-I74 HydrophobicContact CB-CD1 3.79Å; F71-I74 HydrophobicContact CB-CG1 4.46Å; I74-Y76 PolarHBondContact O-N 3.4Å; I74-A101 HydrophobicContact CG1-CB 4.04Å; I74-Y134 CarbonylContact O-C 3.58Å; I74-Y134 VanDerWaalsContact O-CA 3.28Å; I74-Y134 WeakPolarHBondContact O-CA 3.2Å; I74-I135 HydrophobicContact CB-CG2 3.87Å; I74-I135 HydrophobicContact CG2-CG2 4.34Å; I74-I135 PolarHBondContact N-O 3.02Å; I74-I135 WeakPolarHBondContact O-CG2 3.38Å; I74-I135 PolarHBondContact O-N 2.84Å; I74-V137 HydrophobicContact CD1-CG2 4.36Å; I74-W218 HydrophobicContact CD1-CH2 4.22Å; I74-W218 HydrophobicContact CD1-CZ2 4.46Å; I74-W218 HydrophobicContact CG2-CZ2 3.81Å; I74-F226 HydrophobicContact CD1-CE1 4.34Å; I74-F226 HydrophobicContact CD1-CZ 4.07Å
75	P	98.3	Very high	96.1	Very high	16 Å²	16	32.8 Å²	32.8	10%	0.104	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.4	175.2	27.8	-33.6	0	0	0	109.9	P92 W95 M99 Y134	P75-P92 HydrophobicContact CB-CB 4.26Å; P75-W95 HydrophobicContact CG-CH2 4.06Å; P75-W95 HydrophobicContact CG-CZ3 3.73Å; P75-M99 VanDerWaalsContact CD-SD 3.55Å; P75-M99 HydrophobicContact CG-CE 4.01Å; P75-M99 HydrophobicContact CG-SD 4.12Å; P75-Y134 HydrophobicContact CB-CD1 4.25Å; P75-Y134 HydrophobicContact CB-CE1 4.05Å
76	Y	98.6	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-96.8	-17.1	174.4	73.4	-95.8	0	0	0	112.8	I74 P92 L133 I135 F186 N187 D211 E214 A215	I74-Y76 PolarHBondContact O-N 3.4Å; Y76-P92 WeakPolarHBondContact O-CD 3.18Å; Y76-L133 VanDerWaalsContact CD1-C 3.43Å; Y76-L133 HydrophobicContact CD1-CB 4.49Å; Y76-L133 WeakPolarHBondContact CD1-O 3.13Å; Y76-L133 HydrophobicContact CE1-CB 3.91Å; Y76-L133 WeakPolarHBondContact CE1-O 3.14Å; Y76-L133 HydrophobicContact CE2-CB 4.33Å; Y76-L133 PolarHBondContact N-O 3.06Å; Y76-L133 WeakPolarHBondContact OH-CD2 3.33Å; Y76-I135 HydrophobicContact CD1-CB 3.88Å; Y76-I135 HydrophobicContact CD1-CG2 4.42Å; Y76-I135 HydrophobicContact CG-CB 4.42Å; Y76-F186 HydrophobicContact CD1-CB 4.48Å; Y76-F186 HydrophobicContact CE1-CB 4.1Å; Y76-F186 HydrophobicContact CE1-CD2 4.27Å; Y76-N187 WeakPolarHBondContact CE1-O 2.94Å; Y76-N187 PolarHBondContact OH-O 3.44Å; Y76-D211 VanDerWaalsContact CE2-O 3.26Å; Y76-D211 WeakPolarHBondContact CE2-O 3.33Å; Y76-E214 HydrophobicContact CD2-CB 4.45Å; Y76-E214 HydrophobicContact CD2-CG 4.29Å; Y76-E214 HydrophobicContact CE2-CB 4.37Å; Y76-A215 HydrophobicContact CD2-CB 3.94Å; Y76-A215 HydrophobicContact CE2-CB 3.87Å; Y76-A215 HydrophobicContact CG-CB 4.32Å
77	A	98.4	Very high	96.7	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	17%	0.171	C	C	.	.	S	Bend	trans	-141	162.2	175.5	0	0	0	0	0	110.5	P89 M90 L133 E214	A77-P89 HydrophobicContact CB-CB 3.88Å; A77-M90 CarbonylContact C-O 3.59Å; A77-M90 WeakPolarHBondContact CA-O 3.45Å; A77-M90 WeakPolarHBondContact CB-O 3.26Å; A77-L133 HydrophobicContact CB-CB 3.94Å; A77-L133 HydrophobicContact CB-CD1 3.63Å; A77-L133 HydrophobicContact CB-CG 4.44Å; A77-E214 HydrophobicContact CB-CG 4.28Å
78	A	98	Very high	96.8	Very high	23 Å²	23	26.6 Å²	26.6	19%	0.19	17%	0.172	C	C	.	.			trans	-66.5	149.9	172.7	0	0	0	0	0	111.1	P80 M90	A78-P80 WeakPolarHBondContact O-CD 3.06Å; A78-M90 HydrophobicContact CB-CB 4.29Å; A78-M90 PolarHBondContact N-O 3.08Å
79	P	97.8	Very high	96.9	Very high	56 Å²	56	27.3 Å²	27.3	36%	0.364	18%	0.177	S	C	.	.			trans	-55.6	122.6	177.1	-27.5	35.9	0	0	0	112.2	V81 D131	P79-V81 HydrophobicContact CB-CG1 4.44Å; P79-V81 HydrophobicContact CB-CG2 4.05Å; P79-V81 PolarHBondContact O-N 2.88Å; P79-D131 HydrophobicContact CB-CB 3.89Å; P79-D131 HydrophobicContact CG-CB 4.37Å
80	P	97.7	Very high	96.9	Very high	7 Å²	7	31.7 Å²	31.7	5%	0.045	20%	0.198	C	C	.	.			trans	-82.4	52.8	-177.4	35.2	-38	0	0	0	111.8	A78 R85 E130 L133 R189	A78-P80 WeakPolarHBondContact O-CD 3.06Å; P80-R85 WeakPolarHBondContact O-CA 3.39Å; P80-E130 VanDerWaalsContact CD-O 3.29Å; P80-E130 WeakPolarHBondContact CD-O 3.46Å; P80-E130 VanDerWaalsContact CG-O 3.25Å; P80-E130 WeakPolarHBondContact CG-O 3.47Å; P80-L133 HydrophobicContact CB-CD1 4.27Å; P80-L133 HydrophobicContact CG-CD1 3.85Å; P80-L133 HydrophobicContact CG-CG 3.96Å; P80-R189 HydrophobicContact CG-CG 4.2Å
81	V	96.2	Very high	96.8	Very high	63 Å²	63	36 Å²	36	38%	0.382	22%	0.218	S	C	.	.			trans	-110.9	161	-175.5	-60.2	0	0	0	0	111.7	P79 A83 Q84 E130	P79-V81 HydrophobicContact CB-CG1 4.44Å; P79-V81 HydrophobicContact CB-CG2 4.05Å; P79-V81 PolarHBondContact O-N 2.88Å; V81-A83 PolarHBondContact O-N 3.21Å; V81-Q84 PolarHBondContact O-N 3.38Å; V81-E130 HydrophobicContact CG1-CB 3.68Å
82	G	93.3	Very high	96.7	Very high	43 Å²	43	36.6 Å²	36.6	44%	0.443	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	57.3	-121.9	176.9	0	0	0	0	0	111.8	Q84 R85	G82-Q84 PolarHBondContact O-N 3.19Å; G82-R85 VanDerWaalsContact O-CB 3.25Å; G82-R85 WeakPolarHBondContact O-CB 3.49Å; G82-R85 PolarHBondContact O-N 3.12Å; G82-R85 VanDerWaalsContact O-N 3.11Å
83	A	93.4	Very high	96.6	Very high	79 Å²	79	39.6 Å²	39.6	65%	0.653	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24.9	179.6	0	0	0	0	0	113.9	V81 R85	V81-A83 PolarHBondContact O-N 3.21Å; A83-R85 VanDerWaalsContact C-N 3.32Å
84	Q	95.6	Very high	96.6	Very high	71 Å²	71	43.6 Å²	43.6	33%	0.332	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-86.1	-4.8	177.9	-59.6	-60.5	-1.3	0	0	113.4	V81 G82 F86 Q87 M90	V81-Q84 PolarHBondContact O-N 3.38Å; G82-Q84 PolarHBondContact O-N 3.19Å; Q84-F86 PolarHBondContact O-N 3.23Å; Q84-Q87 PolarHBondContact O-N 2.87Å; Q84-Q87 VanDerWaalsContact O-N 3.17Å; Q84-M90 PolarHBondContact NE2-SD 3.17Å
85	R	96	Very high	96.6	Very high	27 Å²	27	46 Å²	46	10%	0.102	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	135.8	173.6	-164.7	-172.5	-78.6	170.8	-4.4	109	P80 G82 A83 Q87 E130 L193 K304 R306	P80-R85 WeakPolarHBondContact O-CA 3.39Å; G82-R85 VanDerWaalsContact O-CB 3.25Å; G82-R85 WeakPolarHBondContact O-CB 3.49Å; G82-R85 PolarHBondContact O-N 3.12Å; G82-R85 VanDerWaalsContact O-N 3.11Å; A83-R85 VanDerWaalsContact C-N 3.32Å; R85-Q87 PolarHBondContact O-N 3.08Å; R85-E130 IonicContact CZ-OE1 3.26Å; R85-E130 VanDerWaalsContact CZ-OE1 3.26Å; R85-E130 IonicContact CZ-OE2 3.18Å; R85-E130 IonicContact NE-OE1 3.5Å; R85-E130 PolarHBondContact NE-OE1 3.31Å; R85-E130 IonicContact NE-OE2 3.42Å; R85-E130 PolarHBondContact NE-OE2 2.96Å; R85-E130 IonicContact NH2-OE1 2.75Å; R85-E130 PolarHBondContact NH2-OE1 3.18Å; R85-E130 IonicContact NH2-OE2 2.8Å; R85-E130 PolarHBondContact NH2-OE2 2.89Å; R85-L193 HydrophobicContact CG-CD2 3.87Å; R85-K304 PolarHBondContact NH1-O 3.25Å; R85-K304 VanDerWaalsContact NH1-O 3.14Å; R85-R306 PolarHBondContact NH1-O 3.45Å
86	F	96.4	Very high	96.4	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.026	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	12.9	-175.2	-50.5	-78.2	0	0	0	115.8	Q84 P192 L193 A196 L203 N207 L300 L303 K304 I311	Q84-F86 PolarHBondContact O-N 3.23Å; F86-P192 WeakPolarHBondContact CE1-O 3.29Å; F86-L193 HydrophobicContact CD1-CD2 4.36Å; F86-L193 HydrophobicContact CE1-CD2 3.57Å; F86-L193 HydrophobicContact CE2-CD2 4.1Å; F86-L193 HydrophobicContact CZ-CD2 3.41Å; F86-L193 VanDerWaalsContact CZ-CD2 3.41Å; F86-A196 HydrophobicContact CD1-CB 4.44Å; F86-A196 HydrophobicContact CE1-CB 4.28Å; F86-L203 HydrophobicContact CB-CD1 3.79Å; F86-N207 WeakPolarHBondContact CA-ND2 3.03Å; F86-N207 PolarHBondContact O-ND2 3.28Å; F86-L300 HydrophobicContact CB-CD1 3.67Å; F86-L300 HydrophobicContact CD2-CD1 4.12Å; F86-L300 HydrophobicContact CG-CD1 4.15Å; F86-L303 HydrophobicContact CD2-CB 4.21Å; F86-L303 HydrophobicContact CE2-CB 3.53Å; F86-L303 HydrophobicContact CZ-CB 3.84Å; F86-L303 HydrophobicContact CZ-CD1 4.45Å; F86-K304 HydrophobicContact CD2-CG 4.17Å; F86-I311 HydrophobicContact CZ-CD1 4.18Å
87	Q	95.8	Very high	96.3	Very high	58 Å²	58	59.7 Å²	59.7	27%	0.271	35%	0.352	S	S	.	.	S	Bend	trans	-101.6	157.4	173.1	-60.5	-61	-59.7	0	0	110.9	Q84 R85 R189 N207	Q84-Q87 PolarHBondContact O-N 2.87Å; Q84-Q87 VanDerWaalsContact O-N 3.17Å; R85-Q87 PolarHBondContact O-N 3.08Å; Q87-R189 VanDerWaalsContact O-CZ 3.26Å; Q87-R189 PolarHBondContact O-NH1 2.9Å; Q87-R189 PolarHBondContact O-NH2 2.7Å; Q87-N207 VanDerWaalsContact C-OD1 3.24Å; Q87-N207 PolarHBondContact O-OD1 2.92Å
88	P	96.5	Very high	96.3	Very high	60 Å²	60	62.3 Å²	62.3	39%	0.39	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-53.7	148.3	168.6	-26.4	35.6	0	0	0	111.9	W210	P88-W210 HydrophobicContact CB-CG 4.4Å
89	P	98	Very high	96.2	Very high	20 Å²	20	64 Å²	64	13%	0.13	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63.2	145.2	-179.6	31.4	-36.8	0	0	0	111.1	A77 L133 W210 D211 E214	A77-P89 HydrophobicContact CB-CB 3.88Å; P89-L133 HydrophobicContact CB-CD1 4.16Å; P89-W210 HydrophobicContact CG-CB 4.23Å; P89-W210 WeakPolarHBondContact CG-O 3.25Å; P89-D211 WeakPolarHBondContact CB-OD1 3.4Å; P89-E214 HydrophobicContact CB-CB 4.21Å; P89-E214 HydrophobicContact CB-CG 4.4Å; P89-E214 HydrophobicContact CG-CB 3.67Å; P89-E214 HydrophobicContact CG-CG 4.3Å
90	M	97	Very high	96.2	Very high	102 Å²	102	65.9 Å²	65.9	50%	0.502	38%	0.379	S	S	.	.			trans	-110.3	161.9	174.4	-67.3	-174.5	66.5	0	0	110.9	A77 A78 Q84	A77-M90 CarbonylContact C-O 3.59Å; A77-M90 WeakPolarHBondContact CA-O 3.45Å; A77-M90 WeakPolarHBondContact CB-O 3.26Å; A78-M90 HydrophobicContact CB-CB 4.29Å; A78-M90 PolarHBondContact N-O 3.08Å; Q84-M90 PolarHBondContact NE2-SD 3.17Å
91	Q	96	Very high	96.2	Very high	91 Å²	91	65.6 Å²	65.6	43%	0.425	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-57.2	141.8	173.5	-66.4	-60.9	-40.1	0	0	111.4	E214 R221	Q91-E214 VanDerWaalsContact NE2-CD 3.27Å; Q91-E214 PolarHBondContact NE2-OE1 2.8Å; Q91-E214 PolarHBondContact NE2-OE2 2.85Å; Q91-R221 VanDerWaalsContact OE1-CZ 3.31Å
92	P	95.8	Very high	96.1	Very high	13 Å²	13	63.3 Å²	63.3	8%	0.084	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-69.3	148	175.7	30.5	-32.6	0	0	0	110.2	P75 Y76	P75-P92 HydrophobicContact CB-CB 4.26Å; Y76-P92 WeakPolarHBondContact O-CD 3.18Å
93	A	95.3	Very high	96.2	Very high	84 Å²	84	67.7 Å²	67.7	69%	0.694	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-64	141.2	173	0	0	0	0	0	110.6
94	S	96.8	Very high	96.2	Very high	95 Å²	95	66.7 Å²	66.7	66%	0.664	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-68.4	144.9	170.9	-54.2	0	0	0	0	110.8	S53	S53-S94 CarbonylContact O-C 3.57Å; S53-S94 WeakPolarHBondContact O-CA 3.42Å; S53-S94 WeakPolarHBondContact O-CB 3.4Å
95	W	96.8	Very high	96	Very high	50 Å²	50	64 Å²	64	19%	0.189	34%	0.342	C	S	.	.			trans	-115.3	160.9	175.4	59	88.9	0	0	0	111.9	I51 S53 S55 I56 P75 M99	I51-W95 HydrophobicContact CD1-CH2 3.95Å; I51-W95 HydrophobicContact CD1-CZ2 4.21Å; I51-W95 HydrophobicContact CG1-CZ2 4.43Å; S53-W95 PolarHBondContact O-N 3.19Å; S55-W95 PolarHBondContact O-NE1 2.02Å; I56-W95 HydrophobicContact CG2-CH2 4.44Å; I56-W95 HydrophobicContact CG2-CZ2 3.63Å; P75-W95 HydrophobicContact CG-CH2 4.06Å; P75-W95 HydrophobicContact CG-CZ3 3.73Å; W95-M99 HydrophobicContact CD2-CE 3.84Å; W95-M99 HydrophobicContact CE3-CE 3.86Å; W95-M99 HydrophobicContact CG-CE 4.39Å; W95-M99 HydrophobicContact CH2-CE 4.26Å; W95-M99 HydrophobicContact CH2-SD 4.22Å; W95-M99 HydrophobicContact CZ2-CB 4.2Å; W95-M99 HydrophobicContact CZ2-CE 4.28Å; W95-M99 HydrophobicContact CZ2-SD 4.11Å; W95-M99 HydrophobicContact CZ3-CE 4.07Å
96	R	95.9	Very high	95.9	Very high	252 Å²	252	64.4 Å²	64.4	95%	0.951	35%	0.349	S	S	*	.	S	Bend	trans	-101.5	149.8	169.6	-65.3	-176.9	-178.2	-179.9	0.9	109.6
97	G	96.3	Very high	95.7	Very high	52 Å²	52	64.8 Å²	64.8	54%	0.536	35%	0.352	S	S	.	.	S	Bend	trans	80.8	-167.3	-175.7	0	0	0	0	0	112.6
98	V	97.2	Very high	95.6	Very high	56 Å²	56	62.1 Å²	62.1	34%	0.339	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.1	-176.2	-173.3	0	0	0	0	109.4	E48 S55 R57	E48-V98 HydrophobicContact CG-CG1 4.27Å; S55-V98 WeakPolarHBondContact O-CA 3.36Å; R57-V98 HydrophobicContact CB-CG1 3.69Å
99	M	97	Very high	95.4	Very high	60 Å²	60	59.4 Å²	59.4	30%	0.296	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133	175.1	176.1	-176.1	-76.8	0	0	110	S55 I56 R57 P75 W95 A101	S55-M99 PolarHBondContact O-N 3.42Å; I56-M99 CarbonylContact C-O 3.56Å; I56-M99 VanDerWaalsContact CA-O 3.29Å; I56-M99 WeakPolarHBondContact CA-O 3.29Å; I56-M99 HydrophobicContact CG2-CB 4.39Å; R57-M99 PolarHBondContact N-O 2.76Å; P75-M99 VanDerWaalsContact CD-SD 3.55Å; P75-M99 HydrophobicContact CG-CE 4.01Å; P75-M99 HydrophobicContact CG-SD 4.12Å; W95-M99 HydrophobicContact CD2-CE 3.84Å; W95-M99 HydrophobicContact CE3-CE 3.86Å; W95-M99 HydrophobicContact CG-CE 4.39Å; W95-M99 HydrophobicContact CH2-CE 4.26Å; W95-M99 HydrophobicContact CH2-SD 4.22Å; W95-M99 HydrophobicContact CZ2-CB 4.2Å; W95-M99 HydrophobicContact CZ2-CE 4.28Å; W95-M99 HydrophobicContact CZ2-SD 4.11Å; W95-M99 HydrophobicContact CZ3-CE 4.07Å; M99-A101 PolarHBondContact O-N 2.85Å
100	N	97.3	Very high	94.8	Very high	95 Å²	95	58.6 Å²	58.6	51%	0.508	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	109.4	176.5	-171.8	25.6	0	0	0	110.5	T102	N100-T102 VanDerWaalsContact CG-OG1 3.24Å; N100-T102 PolarHBondContact ND2-OG1 2.04Å; N100-T102 VanDerWaalsContact ND2-OG1 3.12Å; N100-T102 WeakPolarHBondContact OD1-CG2 3.24Å; N100-T102 PolarHBondContact OD1-OG1 2.94Å
101	A	97.2	Very high	93.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.302	C	S	.	.			trans	-108.7	49.9	-177.9	0	0	0	0	0	111.1	I56 R57 F71 K72 I74 M99	I56-A101 HydrophobicContact CB-CB 4.19Å; R57-A101 CarbonylContact O-C 3.58Å; R57-A101 WeakPolarHBondContact O-CA 3.34Å; R57-A101 PolarHBondContact O-N 3.08Å; F71-A101 CarbonylContact C-O 3.51Å; F71-A101 WeakPolarHBondContact CA-O 3.31Å; F71-A101 HydrophobicContact CB-CB 4.39Å; F71-A101 HydrophobicContact CD1-CB 4.45Å; K72-A101 PolarHBondContact N-O 3.3Å; K72-A101 CarbonylContact O-C 3.6Å; K72-A101 WeakPolarHBondContact O-CA 3.41Å; K72-A101 WeakPolarHBondContact O-CB 3.48Å; I74-A101 HydrophobicContact CG1-CB 4.04Å; M99-A101 PolarHBondContact O-N 2.85Å
102	T	95.3	Very high	92.2	Very high	15 Å²	15	53.5 Å²	53.5	9%	0.092	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-110.7	-5.5	-175.5	52.2	0	0	0	0	113.3	E59 K72 N100	E59-T102 HydrophobicContact CG-CG2 3.53Å; K72-T102 WeakPolarHBondContact CE-O 3.34Å; K72-T102 PolarHBondContact NZ-O 2.93Å; N100-T102 VanDerWaalsContact CG-OG1 3.24Å; N100-T102 PolarHBondContact ND2-OG1 2.04Å; N100-T102 VanDerWaalsContact ND2-OG1 3.12Å; N100-T102 WeakPolarHBondContact OD1-CG2 3.24Å; N100-T102 PolarHBondContact OD1-OG1 2.94Å
103	H	94.2	Very high	90	Very high	135 Å²	135	59.5 Å²	59.5	63%	0.625	32%	0.318	S	S	*	.	S	Bend	trans	-129	145.9	-177.5	-64.8	75.5	0	0	0	109.7	K72 G73	K72-H103 CarbonylContact C-O 3.44Å; K72-H103 WeakPolarHBondContact CB-O 3.49Å; K72-H103 VanDerWaalsContact O-O 3.11Å; G73-H103 WeakPolarHBondContact CA-O 3.42Å; G73-H103 PolarHBondContact N-O 3.39Å
104	Y	93.8	Very high	87.7	Confident	59 Å²	59	61.2 Å²	61.2	23%	0.231	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.2	142	172.6	-71.8	-82	0	0	0	110.4	K72 N136 F138 A165	K72-Y104 HydrophobicContact CD-CD1 4.31Å; K72-Y104 HydrophobicContact CD-CD2 3.83Å; K72-Y104 HydrophobicContact CD-CE1 4.07Å; K72-Y104 HydrophobicContact CD-CE2 3.53Å; K72-Y104 HydrophobicContact CD-CG 4.2Å; K72-Y104 HydrophobicContact CG-CD1 4.38Å; K72-Y104 HydrophobicContact CG-CE1 4.23Å; Y104-N136 VanDerWaalsContact CD1-OD1 3.29Å; Y104-N136 WeakPolarHBondContact CD1-OD1 3.48Å; Y104-N136 HydrophobicContact CE1-CB 4.31Å; Y104-F138 HydrophobicContact CE1-CZ 4.29Å; Y104-F138 WeakPolarHBondContact OH-CZ 3.41Å; Y104-A165 HydrophobicContact CD1-CB 3.83Å; Y104-A165 HydrophobicContact CD2-CB 4.08Å; Y104-A165 HydrophobicContact CE1-CB 4.26Å; Y104-A165 HydrophobicContact CE2-CB 4.5Å; Y104-A165 HydrophobicContact CG-CB 3.73Å
105	G	92.4	Very high	85.4	Confident	13 Å²	13	59 Å²	59	13%	0.134	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-63.6	164.6	165.3	0	0	0	0	0	111.2
106	P	92.9	Very high	82.9	Confident	37 Å²	37	65.1 Å²	65.1	24%	0.24	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-59.8	146.5	174.3	28.3	-37.2	0	0	0	111.3	R127 D131 Y134 N187	P106-R127 CarbonylContact C-O 3.13Å; P106-R127 WeakPolarHBondContact CA-O 3.44Å; P106-R127 WeakPolarHBondContact CB-O 3.48Å; P106-D131 WeakPolarHBondContact CG-O 3.28Å; P106-Y134 HydrophobicContact CG-CD2 4.34Å; P106-Y134 HydrophobicContact CG-CE2 3.99Å; P106-N187 PolarHBondContact O-ND2 2.77Å
107	C	91.4	Very high	80.4	Confident	13 Å²	13	57.7 Å²	57.7	9%	0.088	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	154.9	168.2	60.6	0	0	0	0	110.5	R127 R128 S129	C107-R127 PolarHBondContact N-O 3.11Å; C107-R127 PolarHBondContact SG-O 2.78Å; C107-R128 WeakPolarHBondContact O-CA 3.45Å; C107-R128 WeakPolarHBondContact SG-CG 3.4Å; C107-S129 PolarHBondContact O-N 3.24Å
108	C	94.7	Very high	77.8	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.02	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	156.8	-179.6	-66.8	0	0	0	0	112.1	Q110 S129 C132 Y188 L190	C108-Q110 WeakPolarHBondContact O-CG 3.47Å; C108-Q110 PolarHBondContact O-N 2.85Å; C108-Q110 PolarHBondContact O-NE2 2.92Å; C108-S129 CarbonylContact C-O 3.5Å; C108-S129 WeakPolarHBondContact CA-O 3.48Å; C108-C132 VanDerWaalsContact CA-CB 3.48Å; C108-C132 WeakPolarHBondContact CA-SG 3.47Å; C108-C132 HydrophobicContact CB-CB 3.83Å; C108-C132 WeakPolarHBondContact CB-SG 3.41Å; C108-C132 WeakPolarHBondContact SG-CB 3.49Å; C108-C132 CovalentContact SG-SG 2.04Å; C108-C132 PolarHBondContact SG-SG 2.98Å; C108-Y188 VanDerWaalsContact SG-C 3.53Å; C108-Y188 PolarHBondContact SG-O 2.76Å; C108-L190 HydrophobicContact CB-CD1 4.35Å; C108-L190 HydrophobicContact CB-CG 4.49Å
109	A	91.9	Very high	75.1	Confident	2 Å²	2	70.6 Å²	70.6	2%	0.017	32%	0.319	C	S	.	.	S	Bend	trans	-48.3	123.1	169.6	0	0	0	0	0	110.9	S129 E130 L193 R308 Y312	A109-S129 PolarHBondContact N-O 2.94Å; A109-S129 VanDerWaalsContact N-O 3.08Å; A109-E130 HydrophobicContact CB-CG 4.25Å; A109-L193 HydrophobicContact CB-CD1 3.83Å; A109-R308 VanDerWaalsContact CB-CD 3.41Å; A109-R308 HydrophobicContact CB-CG 3.9Å; A109-Y312 HydrophobicContact CB-CE2 3.69Å; A109-Y312 WeakPolarHBondContact O-CE1 3.14Å; A109-Y312 PolarHBondContact O-OH 3.46Å; A109-Y312 VanDerWaalsContact O-OH 3.12Å
110	Q	86.6	Confident	72.8	Confident	3 Å²	3	72.6 Å²	72.6	1%	0.014	33%	0.331	C	S	.	.			trans	-161.1	154.7	-178.8	61.5	-165.8	-83.7	0	0	109.2	C108 F112 R128 Q160 T161 G162 L190	C108-Q110 WeakPolarHBondContact O-CG 3.47Å; C108-Q110 PolarHBondContact O-N 2.85Å; C108-Q110 PolarHBondContact O-NE2 2.92Å; Q110-F112 VanDerWaalsContact CD-CE2 3.47Å; Q110-F112 HydrophobicContact CG-CD2 3.99Å; Q110-F112 HydrophobicContact CG-CE2 3.5Å; Q110-F112 HydrophobicContact CG-CZ 4.12Å; Q110-F112 VanDerWaalsContact OE1-CE2 3.27Å; Q110-R128 PolarHBondContact O-NH1 3.26Å; Q110-Q160 WeakPolarHBondContact CB-O 3.2Å; Q110-T161 HydrophobicContact CB-CG2 4.41Å; Q110-G162 PolarHBondContact NE2-O 2.87Å; Q110-L190 HydrophobicContact CB-CD1 4.33Å
111	E	74.8	Confident	70.4	Confident	40 Å²	40	69.3 Å²	69.3	19%	0.187	31%	0.314	C	S	.	.			trans	-98.2	121.2	-179.9	-166.7	176.6	-176.5	0	0	111.3	E113 P314	E111-E113 HydrophobicContact CG-CB 4.4Å; E111-P314 WeakPolarHBondContact OE1-CB 3.37Å; E111-P314 WeakPolarHBondContact OE1-CD 3.17Å; E111-P314 WeakPolarHBondContact OE1-CG 3.35Å
112	F	62.1	Low	67.7	Low	47 Å²	47	75.5 Å²	75.5	21%	0.206	34%	0.343	C	S	.	.			trans	-107.9	-2.9	174.4	-77.4	-71.2	0	0	0	113.4	Q110 R114 Y115	Q110-F112 VanDerWaalsContact CD-CE2 3.47Å; Q110-F112 HydrophobicContact CG-CD2 3.99Å; Q110-F112 HydrophobicContact CG-CE2 3.5Å; Q110-F112 HydrophobicContact CG-CZ 4.12Å; Q110-F112 VanDerWaalsContact OE1-CE2 3.27Å; F112-R114 PolarHBondContact O-N 3.06Å; F112-Y115 HydrophobicContact CD1-CD2 4.1Å; F112-Y115 WeakPolarHBondContact O-CA 3.43Å; F112-Y115 PolarHBondContact O-N 2.8Å
113	E	49.8	Very low	65.4	Low	139 Å²	139	80.6 Å²	80.6	65%	0.65	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16	-177.1	-73.5	-118.6	161.2	0	0	113.1	E111 Y115	E111-E113 HydrophobicContact CG-CB 4.4Å; E113-Y115 PolarHBondContact O-N 3.31Å
114	R	48.4	Very low	63.4	Low	120 Å²	120	75.5 Å²	75.5	45%	0.453	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.9	168.7	-144.1	174.9	-173.2	178.6	1.4	113.3	F112 E325 C392	F112-R114 PolarHBondContact O-N 3.06Å; R114-E325 IonicContact NH1-OE1 2.77Å; R114-E325 PolarHBondContact NH1-OE1 2.73Å; R114-E325 VanDerWaalsContact NH1-OE1 3.13Å; R114-C392 PolarHBondContact NH1-SG 3.22Å
115	Y	47.8	Very low	61.4	Low	49 Å²	49	76.9 Å²	76.9	19%	0.192	36%	0.359	C	S	.	.	S	Bend	trans	-112.7	101.2	-177.3	-54.9	-88	0	0	0	109.9	F112 E113 H117 A380 S388	F112-Y115 HydrophobicContact CD1-CD2 4.1Å; F112-Y115 WeakPolarHBondContact O-CA 3.43Å; F112-Y115 PolarHBondContact O-N 2.8Å; E113-Y115 PolarHBondContact O-N 3.31Å; Y115-H117 VanDerWaalsContact C-N 3.3Å; Y115-H117 PolarHBondContact O-N 3.18Å; Y115-A380 HydrophobicContact CD1-CB 3.67Å; Y115-A380 HydrophobicContact CE1-CB 3.86Å; Y115-S388 PolarHBondContact OH-OG 3.19Å
116	K	43.6	Very low	59.5	Low	178 Å²	178	83.5 Å²	83.5	77%	0.774	39%	0.39	S	S	*	.			trans	-73.5	14.5	-158.4	-74.4	-179.5	179.3	173.7	0	117.7	K118 E381	K116-K118 PolarHBondContact O-N 3.25Å; K116-E381 WeakPolarHBondContact CB-OE1 3.39Å
117	H	43.8	Very low	58.5	Low	96 Å²	96	89.8 Å²	89.8	44%	0.444	41%	0.409	S	S	.	.			trans	-95.9	102.4	-179.9	-154.7	1.6	0	0	0	114.7	Y115 R119 L120 V121 E381	Y115-H117 VanDerWaalsContact C-N 3.3Å; Y115-H117 PolarHBondContact O-N 3.18Å; H117-R119 VanDerWaalsContact C-N 3.25Å; H117-R119 PolarHBondContact O-N 2.87Å; H117-L120 PolarHBondContact O-N 2.94Å; H117-V121 VanDerWaalsContact O-CG2 3.27Å; H117-V121 WeakPolarHBondContact O-CG2 3.23Å; H117-V121 PolarHBondContact O-N 2.54Å; H117-E381 HydrophobicContact CB-CG 4.35Å
118	K	42.4	Very low	58.2	Low	174 Å²	174	92 Å²	92	76%	0.757	42%	0.415	S	S	*	.	H	α-helix	trans	-46.7	-32.3	-179.4	-81.7	-178.5	173	179.2	0	116.8	K116 E122	K116-K118 PolarHBondContact O-N 3.25Å; K118-E122 PolarHBondContact O-N 2.79Å
119	R	40.6	Very low	58.1	Low	204 Å²	204	93.6 Å²	93.6	77%	0.77	43%	0.426	S	S	*	.	H	α-helix	trans	-81.8	-36.6	-169.9	-139	179.3	-166.2	179.5	3	113.7	H117	H117-R119 VanDerWaalsContact C-N 3.25Å; H117-R119 PolarHBondContact O-N 2.87Å
120	L	46.8	Very low	58.2	Low	103 Å²	103	94.2 Å²	94.2	54%	0.539	43%	0.429	S	S	.	.	H	α-helix	trans	-73.8	-34.1	170.5	-77.1	167.5	0	0	0	110.7	H117 E122 L123 A124	H117-L120 PolarHBondContact O-N 2.94Å; L120-E122 PolarHBondContact O-N 3.28Å; L120-L123 PolarHBondContact O-N 2.7Å; L120-A124 WeakPolarHBondContact O-CB 3.42Å; L120-A124 PolarHBondContact O-N 3.34Å
121	V	47.5	Very low	58.7	Low	26 Å²	26	96.4 Å²	96.4	16%	0.158	44%	0.441	C	S	.	.	H	α-helix	trans	-58.2	-45.7	175.7	172.5	0	0	0	0	111	H117 L123 A124 Q125	H117-V121 VanDerWaalsContact O-CG2 3.27Å; H117-V121 WeakPolarHBondContact O-CG2 3.23Å; H117-V121 PolarHBondContact O-N 2.54Å; V121-L123 PolarHBondContact O-N 3.35Å; V121-A124 PolarHBondContact O-N 3.38Å; V121-Q125 HydrophobicContact CG1-CG 3.92Å; V121-Q125 WeakPolarHBondContact O-CB 3.48Å; V121-Q125 WeakPolarHBondContact O-CG 3.42Å; V121-Q125 PolarHBondContact O-N 3.39Å
122	E	41.8	Very low	59.7	Low	129 Å²	129	94.5 Å²	94.5	60%	0.603	43%	0.432	S	S	*	.	H	α-helix	trans	-63.6	-41.7	-179.3	-76.2	176.3	174.8	0	0	113.9	K118 L120 Q125 L126	K118-E122 PolarHBondContact O-N 2.79Å; L120-E122 PolarHBondContact O-N 3.28Å; E122-Q125 PolarHBondContact O-N 2.99Å; E122-L126 PolarHBondContact O-N 2.89Å
123	L	47	Very low	61.5	Low	122 Å²	122	92.3 Å²	92.3	64%	0.639	42%	0.423	S	S	*	.	H	α-helix	trans	-72.2	-36.5	176.3	-76.8	166.2	0	0	0	112.4	L120 V121 Q125	L120-L123 PolarHBondContact O-N 2.7Å; V121-L123 PolarHBondContact O-N 3.35Å; L123-Q125 VanDerWaalsContact C-N 3.34Å
124	A	51.6	Low	63.8	Low	28 Å²	28	87.7 Å²	87.7	23%	0.231	40%	0.399	C	S	.	.	H	α-helix	trans	-67.5	-35.5	172.8	0	0	0	0	0	111.4	L120 V121 L126 R127 R128	L120-A124 WeakPolarHBondContact O-CB 3.42Å; L120-A124 PolarHBondContact O-N 3.34Å; V121-A124 PolarHBondContact O-N 3.38Å; A124-L126 PolarHBondContact O-N 3.19Å; A124-R127 PolarHBondContact O-N 2.92Å; A124-R127 VanDerWaalsContact O-N 3.11Å; A124-R128 WeakPolarHBondContact O-CG 3.47Å; A124-R128 PolarHBondContact O-N 2.92Å
125	Q	50.7	Low	66.2	Low	89 Å²	89	82 Å²	82	42%	0.416	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-39.8	178.4	-81	-173.4	6.9	0	0	112.2	V121 E122 L123 R127 R128	V121-Q125 HydrophobicContact CG1-CG 3.92Å; V121-Q125 WeakPolarHBondContact O-CB 3.48Å; V121-Q125 WeakPolarHBondContact O-CG 3.42Å; V121-Q125 PolarHBondContact O-N 3.39Å; E122-Q125 PolarHBondContact O-N 2.99Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; Q125-R127 PolarHBondContact O-N 3.08Å; Q125-R128 PolarHBondContact O-N 2.81Å
126	L	52.7	Low	68.6	Low	152 Å²	152	79.7 Å²	79.7	80%	0.796	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.9	175.8	-73.7	167.3	0	0	0	113.6	E122 A124	E122-L126 PolarHBondContact O-N 2.89Å; A124-L126 PolarHBondContact O-N 3.19Å
127	R	72.4	Confident	71.2	Confident	169 Å²	169	71.2 Å²	71.2	64%	0.638	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	1.3	-176.8	-73	-177.3	158	167.5	-3.2	114.6	P106 C107 A124 Q125	P106-R127 CarbonylContact C-O 3.13Å; P106-R127 WeakPolarHBondContact CA-O 3.44Å; P106-R127 WeakPolarHBondContact CB-O 3.48Å; C107-R127 PolarHBondContact N-O 3.11Å; C107-R127 PolarHBondContact SG-O 2.78Å; A124-R127 PolarHBondContact O-N 2.92Å; A124-R127 VanDerWaalsContact O-N 3.11Å; Q125-R127 PolarHBondContact O-N 3.08Å
128	R	84.9	Confident	73.8	Confident	59 Å²	59	66.7 Å²	66.7	22%	0.223	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.4	-177.4	-72.8	179.9	-52.5	155.4	7.5	113.2	C107 Q110 A124 Q125 R308	C107-R128 WeakPolarHBondContact O-CA 3.45Å; C107-R128 WeakPolarHBondContact SG-CG 3.4Å; Q110-R128 PolarHBondContact O-NH1 3.26Å; A124-R128 WeakPolarHBondContact O-CG 3.47Å; A124-R128 PolarHBondContact O-N 2.92Å; Q125-R128 PolarHBondContact O-N 2.81Å; R128-R308 PolarHBondContact O-NH1 3.47Å
129	S	92.3	Very high	76.5	Confident	36 Å²	36	58.4 Å²	58.4	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.8	176.6	-172.7	0	0	0	0	111.4	C107 C108 A109 D131 C132	C107-S129 PolarHBondContact O-N 3.24Å; C108-S129 CarbonylContact C-O 3.5Å; C108-S129 WeakPolarHBondContact CA-O 3.48Å; A109-S129 PolarHBondContact N-O 2.94Å; A109-S129 VanDerWaalsContact N-O 3.08Å; S129-D131 WeakPolarHBondContact CB-O 3.26Å; S129-D131 PolarHBondContact OG-N 3.49Å; S129-D131 VanDerWaalsContact OG-N 3.08Å; S129-D131 PolarHBondContact OG-O 3.47Å; S129-D131 VanDerWaalsContact OG-O 3.12Å; S129-C132 WeakPolarHBondContact O-CB 3.42Å
130	E	95.2	Very high	79.1	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.075	24%	0.242	C	C	.	.	S	Bend	trans	-81.2	-30.9	163.1	-74.3	-176.2	-157.4	0	0	111.5	P80 V81 R85 A109 C132 L193 R308	P80-E130 VanDerWaalsContact CD-O 3.29Å; P80-E130 WeakPolarHBondContact CD-O 3.46Å; P80-E130 VanDerWaalsContact CG-O 3.25Å; P80-E130 WeakPolarHBondContact CG-O 3.47Å; V81-E130 HydrophobicContact CG1-CB 3.68Å; R85-E130 IonicContact CZ-OE1 3.26Å; R85-E130 VanDerWaalsContact CZ-OE1 3.26Å; R85-E130 IonicContact CZ-OE2 3.18Å; R85-E130 IonicContact NE-OE1 3.5Å; R85-E130 PolarHBondContact NE-OE1 3.31Å; R85-E130 IonicContact NE-OE2 3.42Å; R85-E130 PolarHBondContact NE-OE2 2.96Å; R85-E130 IonicContact NH2-OE1 2.75Å; R85-E130 PolarHBondContact NH2-OE1 3.18Å; R85-E130 IonicContact NH2-OE2 2.8Å; R85-E130 PolarHBondContact NH2-OE2 2.89Å; A109-E130 HydrophobicContact CB-CG 4.25Å; E130-C132 PolarHBondContact O-N 2.91Å; E130-L193 HydrophobicContact CG-CD1 3.66Å; E130-R308 WeakPolarHBondContact OE1-CB 3.41Å
131	D	96.3	Very high	81.2	Confident	48 Å²	48	45 Å²	45	26%	0.257	22%	0.221	S	C	.	.			trans	-71.3	86.6	161.8	178.8	8.6	0	0	0	107.9	P79 P106 S129 Y134	P79-D131 HydrophobicContact CB-CB 3.89Å; P79-D131 HydrophobicContact CG-CB 4.37Å; P106-D131 WeakPolarHBondContact CG-O 3.28Å; S129-D131 WeakPolarHBondContact CB-O 3.26Å; S129-D131 PolarHBondContact OG-N 3.49Å; S129-D131 VanDerWaalsContact OG-N 3.08Å; S129-D131 PolarHBondContact OG-O 3.47Å; S129-D131 VanDerWaalsContact OG-O 3.12Å; D131-Y134 VanDerWaalsContact CG-OH 3.32Å; D131-Y134 WeakPolarHBondContact OD1-CE2 3.44Å; D131-Y134 PolarHBondContact OD1-OH 3Å; D131-Y134 PolarHBondContact OD2-OH 3.33Å; D131-Y134 VanDerWaalsContact OD2-OH 3.1Å
132	C	97	Very high	82.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	23%	0.229	C	C	.	.			trans	-135.6	2.3	-172.7	68.3	0	0	0	0	114.3	C108 S129 E130 Y134 N187	C108-C132 VanDerWaalsContact CA-CB 3.48Å; C108-C132 WeakPolarHBondContact CA-SG 3.47Å; C108-C132 HydrophobicContact CB-CB 3.83Å; C108-C132 WeakPolarHBondContact CB-SG 3.41Å; C108-C132 WeakPolarHBondContact SG-CB 3.49Å; C108-C132 CovalentContact SG-SG 2.04Å; C108-C132 PolarHBondContact SG-SG 2.98Å; S129-C132 WeakPolarHBondContact O-CB 3.42Å; E130-C132 PolarHBondContact O-N 2.91Å; C132-Y134 PolarHBondContact O-N 3.23Å; C132-N187 WeakPolarHBondContact O-CB 3.48Å
133	L	98.5	Very high	84.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.232	C	C	.	.			trans	-80.4	70.1	-174.7	-56.2	-174.2	0	0	0	111.8	Y76 A77 P80 P89 R189 D211	Y76-L133 VanDerWaalsContact CD1-C 3.43Å; Y76-L133 HydrophobicContact CD1-CB 4.49Å; Y76-L133 WeakPolarHBondContact CD1-O 3.13Å; Y76-L133 HydrophobicContact CE1-CB 3.91Å; Y76-L133 WeakPolarHBondContact CE1-O 3.14Å; Y76-L133 HydrophobicContact CE2-CB 4.33Å; Y76-L133 PolarHBondContact N-O 3.06Å; Y76-L133 WeakPolarHBondContact OH-CD2 3.33Å; A77-L133 HydrophobicContact CB-CB 3.94Å; A77-L133 HydrophobicContact CB-CD1 3.63Å; A77-L133 HydrophobicContact CB-CG 4.44Å; P80-L133 HydrophobicContact CB-CD1 4.27Å; P80-L133 HydrophobicContact CG-CD1 3.85Å; P80-L133 HydrophobicContact CG-CG 3.96Å; P89-L133 HydrophobicContact CB-CD1 4.16Å; L133-R189 HydrophobicContact CD2-CG 4.25Å; L133-D211 HydrophobicContact CD2-CB 4.21Å; L133-D211 WeakPolarHBondContact CD2-OD2 3.07Å
134	Y	98.3	Very high	85.8	Confident	41 Å²	41	46.3 Å²	46.3	16%	0.161	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.7	-177.7	-63.5	-86.1	0	0	0	112.4	G73 I74 P75 P106 D131 C132 F186 N187	G73-Y134 VanDerWaalsContact O-CD1 3.26Å; G73-Y134 WeakPolarHBondContact O-CD1 3.24Å; I74-Y134 CarbonylContact O-C 3.58Å; I74-Y134 VanDerWaalsContact O-CA 3.28Å; I74-Y134 WeakPolarHBondContact O-CA 3.2Å; P75-Y134 HydrophobicContact CB-CD1 4.25Å; P75-Y134 HydrophobicContact CB-CE1 4.05Å; P106-Y134 HydrophobicContact CG-CD2 4.34Å; P106-Y134 HydrophobicContact CG-CE2 3.99Å; D131-Y134 VanDerWaalsContact CG-OH 3.32Å; D131-Y134 WeakPolarHBondContact OD1-CE2 3.44Å; D131-Y134 PolarHBondContact OD1-OH 3Å; D131-Y134 PolarHBondContact OD2-OH 3.33Å; D131-Y134 VanDerWaalsContact OD2-OH 3.1Å; C132-Y134 PolarHBondContact O-N 3.23Å; Y134-F186 VanDerWaalsContact O-CA 3.31Å; Y134-F186 WeakPolarHBondContact O-CA 3.48Å; Y134-F186 WeakPolarHBondContact O-CB 3.37Å; Y134-N187 PolarHBondContact O-N 2.86Å
135	I	98.7	Very high	87.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.1	179.1	-166.4	157.1	0	0	0	110.6	G73 I74 Y76 V184 S185 F186 A215 W218 I219	G73-I135 PolarHBondContact N-O 3.4Å; I74-I135 HydrophobicContact CB-CG2 3.87Å; I74-I135 HydrophobicContact CG2-CG2 4.34Å; I74-I135 PolarHBondContact N-O 3.02Å; I74-I135 WeakPolarHBondContact O-CG2 3.38Å; I74-I135 PolarHBondContact O-N 2.84Å; Y76-I135 HydrophobicContact CD1-CB 3.88Å; Y76-I135 HydrophobicContact CD1-CG2 4.42Å; Y76-I135 HydrophobicContact CG-CB 4.42Å; I135-V184 HydrophobicContact CD1-CG1 3.39Å; I135-V184 HydrophobicContact CG1-CG1 3.46Å; I135-V184 VanDerWaalsContact CG1-CG1 3.46Å; I135-S185 CarbonylContact C-O 3.57Å; I135-S185 WeakPolarHBondContact CA-O 3.47Å; I135-F186 HydrophobicContact CB-CB 4.03Å; I135-F186 HydrophobicContact CD1-CB 4.28Å; I135-F186 HydrophobicContact CG1-CB 3.9Å; I135-A215 HydrophobicContact CD1-CB 4.4Å; I135-W218 HydrophobicContact CD1-CE3 3.76Å; I135-W218 HydrophobicContact CD1-CZ3 4.07Å; I135-W218 HydrophobicContact CG2-CD2 4.21Å; I135-W218 HydrophobicContact CG2-CE3 4.06Å; I135-W218 HydrophobicContact CG2-CH2 4.02Å; I135-W218 HydrophobicContact CG2-CZ2 4.15Å; I135-W218 HydrophobicContact CG2-CZ3 3.97Å; I135-I219 HydrophobicContact CD1-CD1 4.16Å; I135-I219 HydrophobicContact CD1-CG1 3.95Å
136	N	98.6	Very high	88.8	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.3	179.6	-42.8	-74.7	0	0	0	108.5	F71 K72 G73 Y104 F138 V184 S185	F71-N136 CarbonylContact O-C 3.53Å; F71-N136 VanDerWaalsContact O-CA 3.27Å; F71-N136 WeakPolarHBondContact O-CA 3.47Å; K72-N136 VanDerWaalsContact CA-OD1 3.29Å; K72-N136 WeakPolarHBondContact CA-OD1 3.31Å; K72-N136 WeakPolarHBondContact CB-OD1 3.31Å; K72-N136 HydrophobicContact CG-CB 4.19Å; G73-N136 PolarHBondContact N-OD1 3.19Å; Y104-N136 VanDerWaalsContact CD1-OD1 3.29Å; Y104-N136 WeakPolarHBondContact CD1-OD1 3.48Å; Y104-N136 HydrophobicContact CE1-CB 4.31Å; N136-F138 HydrophobicContact CB-CE2 3.8Å; N136-F138 HydrophobicContact CB-CZ 3.99Å; N136-V184 VanDerWaalsContact O-CA 3.3Å; N136-V184 WeakPolarHBondContact O-CA 3.26Å; N136-S185 PolarHBondContact N-O 2.75Å; N136-S185 PolarHBondContact ND2-O 3.15Å; N136-S185 PolarHBondContact ND2-OG 3.19Å; N136-S185 PolarHBondContact O-N 3.09Å
137	V	98.6	Very high	90.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.4	-179.2	-174.9	0	0	0	0	109	F71 I74 V182 V184 W218 I223 F226	F71-V137 PolarHBondContact N-O 2.62Å; F71-V137 PolarHBondContact O-N 3.07Å; I74-V137 HydrophobicContact CD1-CG2 4.36Å; V137-V182 HydrophobicContact CG1-CG1 3.89Å; V137-V184 HydrophobicContact CG1-CG2 4.49Å; V137-V184 HydrophobicContact CG2-CG2 4.43Å; V137-W218 HydrophobicContact CG2-CH2 4.18Å; V137-W218 HydrophobicContact CG2-CZ3 4.14Å; V137-I223 HydrophobicContact CG1-CD1 4.02Å; V137-I223 HydrophobicContact CG2-CD1 4.34Å; V137-F226 HydrophobicContact CB-CD1 3.98Å; V137-F226 HydrophobicContact CB-CE1 4.12Å; V137-F226 HydrophobicContact CB-CG 4.46Å; V137-F226 HydrophobicContact CG1-CB 3.87Å; V137-F226 HydrophobicContact CG1-CD1 3.63Å; V137-F226 HydrophobicContact CG1-CE1 4.27Å; V137-F226 HydrophobicContact CG1-CG 3.77Å; V137-F226 HydrophobicContact CG2-CD1 4.4Å; V137-F226 HydrophobicContact CG2-CE1 4.26Å; V137-F226 HydrophobicContact CG2-CZ 4.37Å
138	F	98.5	Very high	92	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.9	174.1	-47.6	-94.6	0	0	0	107.4	V70 K72 Y104 N136 Q169 I172 L173 V177 F183	V70-F138 HydrophobicContact CB-CD1 4.28Å; V70-F138 HydrophobicContact CG1-CD1 3.61Å; V70-F138 HydrophobicContact CG1-CE1 3.6Å; V70-F138 HydrophobicContact CG2-CD1 3.82Å; K72-F138 HydrophobicContact CD-CE1 4.4Å; K72-F138 HydrophobicContact CG-CE1 4.35Å; K72-F138 HydrophobicContact CG-CZ 4.32Å; Y104-F138 HydrophobicContact CE1-CZ 4.29Å; Y104-F138 WeakPolarHBondContact OH-CZ 3.41Å; N136-F138 HydrophobicContact CB-CE2 3.8Å; N136-F138 HydrophobicContact CB-CZ 3.99Å; F138-Q169 HydrophobicContact CD1-CG 4.07Å; F138-Q169 HydrophobicContact CE1-CB 4.38Å; F138-Q169 HydrophobicContact CE1-CG 3.69Å; F138-I172 HydrophobicContact CB-CG2 4.14Å; F138-I172 HydrophobicContact CD1-CG2 4.48Å; F138-I172 HydrophobicContact CD2-CG2 3.92Å; F138-I172 HydrophobicContact CE2-CD1 4.13Å; F138-I172 HydrophobicContact CE2-CG2 4.5Å; F138-I172 HydrophobicContact CG-CG2 3.92Å; F138-I172 HydrophobicContact CZ-CD1 4.29Å; F138-L173 HydrophobicContact CB-CD2 4.06Å; F138-L173 HydrophobicContact CD1-CD2 4.27Å; F138-V177 HydrophobicContact CB-CG2 3.75Å; F138-F183 HydrophobicContact CB-CB 4.38Å; F138-F183 HydrophobicContact CD2-CD1 4.1Å; F138-F183 WeakPolarHBondContact CD2-O 3.4Å; F138-F183 PolarHBondContact N-O 3.38Å; F138-F183 PolarHBondContact O-N 2.87Å
139	S	97.7	Very high	92.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.4	-171	58.6	0	0	0	0	112.7	T69 F226	T69-S139 PolarHBondContact N-O 2.96Å; T69-S139 PolarHBondContact O-N 3.35Å; T69-S139 PolarHBondContact O-OG 2.92Å; T69-S139 PolarHBondContact OG1-O 3.22Å; T69-S139 PolarHBondContact OG1-OG 2.67Å; S139-F226 WeakPolarHBondContact CB-O 3.27Å
140	P	95.5	Very high	92.9	Very high	11 Å²	11	37 Å²	37	7%	0.071	18%	0.183	C	C	.	.			trans	-60	145.7	164.5	-19.1	32.9	0	0	0	109.7	Q142 Y148 V177	P140-Q142 PolarHBondContact O-NE2 2.98Å; P140-Q142 VanDerWaalsContact O-NE2 3.09Å; P140-Y148 HydrophobicContact CB-CD2 4.28Å; P140-Y148 HydrophobicContact CB-CE2 3.72Å; P140-Y148 HydrophobicContact CG-CD1 4.37Å; P140-Y148 HydrophobicContact CG-CD2 3.89Å; P140-Y148 HydrophobicContact CG-CE1 4.3Å; P140-Y148 HydrophobicContact CG-CE2 3.82Å; P140-Y148 HydrophobicContact CG-CG 4.16Å; P140-V177 HydrophobicContact CG-CG1 4.08Å
141	P	91.1	Very high	93.1	Very high	15 Å²	15	36.2 Å²	36.2	10%	0.097	18%	0.18	C	C	.	.			trans	-61.2	141.4	176.6	-18.1	29.3	0	0	0	111.2	L60 H67 T69 Y143	L60-P141 HydrophobicContact CD1-CB 4.19Å; L60-P141 HydrophobicContact CD1-CG 4.03Å; H67-P141 VanDerWaalsContact C-CG 3.47Å; H67-P141 HydrophobicContact CB-CG 3.71Å; H67-P141 WeakPolarHBondContact O-CD 3.42Å; H67-P141 WeakPolarHBondContact O-CG 3.04Å; T69-P141 HydrophobicContact CG2-CB 4.23Å; P141-Y143 VanDerWaalsContact C-N 3.34Å; P141-Y143 HydrophobicContact CB-CD2 3.99Å; P141-Y143 HydrophobicContact CB-CE1 4.22Å; P141-Y143 HydrophobicContact CB-CE2 3.48Å; P141-Y143 VanDerWaalsContact CB-CE2 3.48Å; P141-Y143 HydrophobicContact CG-CE2 3.87Å; P141-Y143 PolarHBondContact O-N 3Å; P141-Y143 VanDerWaalsContact O-N 3.08Å
142	Q	83.5	Confident	93.2	Very high	71 Å²	71	34 Å²	34	33%	0.332	17%	0.168	S	C	.	.			trans	-86.5	71	-177.9	-60.9	-60.3	-66.4	0	0	111	P140 F226 G227	P140-Q142 PolarHBondContact O-NE2 2.98Å; P140-Q142 VanDerWaalsContact O-NE2 3.09Å; Q142-F226 PolarHBondContact NE2-O 3.24Å; Q142-G227 VanDerWaalsContact CD-CA 3.42Å
143	Y	76	Confident	93.3	Very high	165 Å²	165	34 Å²	34	65%	0.647	17%	0.168	S	C	*	.	S	Bend	trans	-81.2	-22.1	173.5	-59.8	-56.3	0	0	0	112.8	P141	P141-Y143 VanDerWaalsContact C-N 3.34Å; P141-Y143 HydrophobicContact CB-CD2 3.99Å; P141-Y143 HydrophobicContact CB-CE1 4.22Å; P141-Y143 HydrophobicContact CB-CE2 3.48Å; P141-Y143 VanDerWaalsContact CB-CE2 3.48Å; P141-Y143 HydrophobicContact CG-CE2 3.87Å; P141-Y143 PolarHBondContact O-N 3Å; P141-Y143 VanDerWaalsContact O-N 3.08Å
144	N	73.5	Confident	93.3	Very high	67 Å²	67	34 Å²	34	36%	0.358	17%	0.168	S	C	.	.	S	Bend	trans	-137.7	168.2	-178.5	55.8	22.8	0	0	0	109.5	E146	N144-E146 PolarHBondContact ND2-OE1 3.41Å; N144-E146 PolarHBondContact O-N 3.29Å; N144-E146 WeakPolarHBondContact OD1-CB 3.43Å; N144-E146 WeakPolarHBondContact OD1-CG 3.26Å; N144-E146 PolarHBondContact OD1-N 3.41Å
145	N	79.5	Confident	93.1	Very high	177 Å²	177	32.1 Å²	32.1	95%	0.947	16%	0.161	S	C	*	.	S	Bend	trans	-79	34.3	177.3	-68.5	-21.6	0	0	0	112.1
146	E	86.9	Confident	92.7	Very high	83 Å²	83	32.1 Å²	32.1	39%	0.388	16%	0.161	S	C	.	.			trans	-68.8	150.3	174.9	-76.3	179.3	-157.5	0	0	111	N144 Y148	N144-E146 PolarHBondContact ND2-OE1 3.41Å; N144-E146 PolarHBondContact O-N 3.29Å; N144-E146 WeakPolarHBondContact OD1-CB 3.43Å; N144-E146 WeakPolarHBondContact OD1-CG 3.26Å; N144-E146 PolarHBondContact OD1-N 3.41Å; E146-Y148 HydrophobicContact CB-CE1 4.18Å; E146-Y148 HydrophobicContact CB-CE2 4.15Å; E146-Y148 WeakPolarHBondContact OE2-CE1 3.34Å; E146-Y148 PolarHBondContact OE2-OH 3.24Å
147	S	93.8	Very high	92.1	Very high	57 Å²	57	32.1 Å²	32.1	40%	0.399	16%	0.161	S	C	.	.			trans	-124.6	120.7	-179.7	-171.1	0	0	0	0	108.4	G227 D229 R232	S147-G227 CarbonylContact C-O 3.56Å; S147-G227 WeakPolarHBondContact CA-O 3.3Å; S147-D229 WeakPolarHBondContact OG-CA 3.38Å; S147-D229 VanDerWaalsContact OG-CB 3.23Å; S147-D229 WeakPolarHBondContact OG-CB 3.36Å; S147-R232 PolarHBondContact O-NH2 2.59Å
148	Y	97.4	Very high	91.6	Very high	17 Å²	17	33.4 Å²	33.4	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.3	-169.7	-61.1	-67.2	0	0	0	111.7	P140 E146 Q180 V182 G227 G228 D229	P140-Y148 HydrophobicContact CB-CD2 4.28Å; P140-Y148 HydrophobicContact CB-CE2 3.72Å; P140-Y148 HydrophobicContact CG-CD1 4.37Å; P140-Y148 HydrophobicContact CG-CD2 3.89Å; P140-Y148 HydrophobicContact CG-CE1 4.3Å; P140-Y148 HydrophobicContact CG-CE2 3.82Å; P140-Y148 HydrophobicContact CG-CG 4.16Å; E146-Y148 HydrophobicContact CB-CE1 4.18Å; E146-Y148 HydrophobicContact CB-CE2 4.15Å; E146-Y148 WeakPolarHBondContact OE2-CE1 3.34Å; E146-Y148 PolarHBondContact OE2-OH 3.24Å; Y148-Q180 HydrophobicContact CD1-CB 3.66Å; Y148-Q180 HydrophobicContact CD1-CG 4.44Å; Y148-Q180 WeakPolarHBondContact CD1-O 3.31Å; Y148-Q180 HydrophobicContact CE1-CB 3.7Å; Y148-Q180 HydrophobicContact CE1-CG 3.98Å; Y148-V182 HydrophobicContact CD2-CG2 4.45Å; Y148-G227 WeakPolarHBondContact CD2-O 3.5Å; Y148-G227 PolarHBondContact N-O 3.43Å; Y148-G228 CarbonylContact O-C 3.54Å; Y148-D229 WeakPolarHBondContact O-CB 3.44Å; Y148-D229 PolarHBondContact O-N 3.45Å
149	P	98.1	Very high	91.3	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	153.5	169.1	-4	17.1	0	0	0	110.8	Q180 I181 V182 R232 R553	P149-Q180 WeakPolarHBondContact CD-O 3.43Å; P149-I181 HydrophobicContact CB-CD1 3.77Å; P149-I181 HydrophobicContact CG-CD1 3.64Å; P149-V182 PolarHBondContact O-N 3.37Å; P149-R232 HydrophobicContact CB-CB 4.35Å; P149-R553 HydrophobicContact CG-CB 3.98Å; P149-R553 HydrophobicContact CG-CG 3.88Å
150	I	98.8	Very high	90.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131	-177.7	-57.2	154.5	0	0	0	109.6	V152 V182 V184 I219 I223 D229 R232 V233 T234	I150-V152 HydrophobicContact CG2-CG2 3.8Å; I150-V182 CarbonylContact C-O 3.52Å; I150-V182 VanDerWaalsContact CA-O 3.27Å; I150-V182 WeakPolarHBondContact CA-O 3.32Å; I150-V182 HydrophobicContact CG1-CB 4.15Å; I150-V182 HydrophobicContact CG1-CG1 4.49Å; I150-V184 HydrophobicContact CG2-CG2 3.91Å; I150-I219 HydrophobicContact CD1-CG2 4.26Å; I150-I223 HydrophobicContact CD1-CB 4.1Å; I150-I223 HydrophobicContact CD1-CG1 3.61Å; I150-I223 HydrophobicContact CD1-CG2 3.44Å; I150-I223 VanDerWaalsContact CD1-CG2 3.44Å; I150-I223 HydrophobicContact CG1-CG1 4.02Å; I150-D229 VanDerWaalsContact CD1-O 3.24Å; I150-D229 WeakPolarHBondContact CD1-O 3.3Å; I150-R232 PolarHBondContact N-O 3.17Å; I150-V233 HydrophobicContact CD1-CG2 4.01Å; I150-T234 PolarHBondContact O-N 2.83Å
151	I	98.9	Very high	90.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.1	163.9	-67.5	178.7	0	0	0	108.2	F176 I181 V182 F183 V184 T234 M236 T549 A552	I151-F176 HydrophobicContact CD1-CD1 3.86Å; I151-F176 HydrophobicContact CD1-CE1 4.29Å; I151-I181 HydrophobicContact CB-CG2 3.99Å; I151-I181 HydrophobicContact CD1-CG2 3.95Å; I151-I181 HydrophobicContact CG1-CG2 3.76Å; I151-V182 PolarHBondContact N-O 3Å; I151-F183 HydrophobicContact CB-CD2 4.1Å; I151-F183 HydrophobicContact CB-CE2 4.47Å; I151-F183 HydrophobicContact CG2-CD2 3.95Å; I151-F183 HydrophobicContact CG2-CE2 3.81Å; I151-F183 WeakPolarHBondContact O-CA 3.5Å; I151-V184 PolarHBondContact O-N 2.64Å; I151-T234 CarbonylContact C-O 3.47Å; I151-T234 WeakPolarHBondContact CA-O 3.37Å; I151-M236 HydrophobicContact CG2-CB 3.84Å; I151-M236 HydrophobicContact CG2-CE 3.82Å; I151-M236 HydrophobicContact CG2-SD 4.17Å; I151-T549 HydrophobicContact CD1-CG2 4.34Å; I151-A552 HydrophobicContact CD1-CB 3.84Å; I151-A552 HydrophobicContact CG1-CB 3.68Å
152	V	98.9	Very high	90.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.1	177.1	-175.8	0	0	0	0	108.3	I150 V184 F186 L216 I219 V233 T234 V235 M236	I150-V152 HydrophobicContact CG2-CG2 3.8Å; V152-V184 CarbonylContact C-O 3.33Å; V152-V184 WeakPolarHBondContact CA-O 3.38Å; V152-F186 HydrophobicContact CG1-CD1 4.21Å; V152-F186 HydrophobicContact CG1-CE1 3.69Å; V152-L216 HydrophobicContact CG1-CD2 4.25Å; V152-L216 HydrophobicContact CG2-CD2 4.35Å; V152-I219 HydrophobicContact CB-CD1 4.36Å; V152-I219 HydrophobicContact CG1-CD1 3.82Å; V152-I219 HydrophobicContact CG2-CD1 3.58Å; V152-V233 HydrophobicContact CG2-CG1 3.63Å; V152-T234 PolarHBondContact N-O 3.43Å; V152-V235 HydrophobicContact CB-CG2 4.38Å; V152-M236 PolarHBondContact O-N 3.24Å; V152-M236 VanDerWaalsContact O-O 3.11Å
153	W	98.7	Very high	90.6	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.4	-176.7	178.3	-108.4	0	0	0	112.5	Y167 F183 V184 M236 H238 L264 L515 F519	W153-Y167 AromaticContact CD1-CD2 3.96Å; W153-Y167 AromaticContact CD1-CE2 3.89Å; W153-Y167 AromaticContact CE2-CE1 3.82Å; W153-Y167 AromaticContact CE2-CZ 3.64Å; W153-Y167 HydrophobicContact CZ2-CD1 4.29Å; W153-Y167 AromaticContact CZ2-CE1 3.52Å; W153-Y167 HydrophobicContact CZ2-CE1 3.52Å; W153-Y167 HydrophobicContact CZ2-CE2 4.39Å; W153-Y167 AromaticContact CZ2-CZ 3.58Å; W153-Y167 AromaticContact NE1-CD1 3.96Å; W153-Y167 AromaticContact NE1-CD2 3.39Å; W153-Y167 AromaticContact NE1-CE1 3.62Å; W153-Y167 AromaticContact NE1-CE2 3.02Å; W153-Y167 AromaticContact NE1-CG 3.85Å; W153-Y167 AromaticContact NE1-CZ 3.12Å; W153-F183 HydrophobicContact CB-CE1 3.61Å; W153-F183 HydrophobicContact CB-CE2 4.38Å; W153-F183 HydrophobicContact CB-CZ 3.43Å; W153-F183 VanDerWaalsContact CB-CZ 3.43Å; W153-F183 HydrophobicContact CD2-CZ 4.42Å; W153-F183 HydrophobicContact CG-CE1 4.22Å; W153-F183 AromaticContact CG-CZ 3.88Å; W153-F183 HydrophobicContact CG-CZ 3.88Å; W153-V184 PolarHBondContact N-O 3.05Å; W153-M236 CarbonylContact C-O 3.55Å; W153-M236 VanDerWaalsContact CA-O 3.28Å; W153-M236 WeakPolarHBondContact CA-O 3.37Å; W153-M236 HydrophobicContact CD2-CE 4.4Å; W153-M236 HydrophobicContact CE3-CB 4.15Å; W153-M236 HydrophobicContact CE3-CE 3.37Å; W153-M236 HydrophobicContact CE3-CG 3.77Å; W153-M236 HydrophobicContact CE3-SD 4.39Å; W153-M236 HydrophobicContact CZ3-CE 3.65Å; W153-M236 HydrophobicContact CZ3-CG 3.75Å; W153-M236 HydrophobicContact CZ3-SD 4.36Å; W153-H238 HydrophobicContact CH2-CB 3.66Å; W153-H238 HydrophobicContact CZ2-CB 4.25Å; W153-L264 HydrophobicContact CH2-CD1 4.23Å; W153-L264 HydrophobicContact CZ3-CD1 3.99Å; W153-L515 HydrophobicContact CH2-CD2 3.56Å; W153-L515 HydrophobicContact CZ2-CD2 4.07Å; W153-F519 HydrophobicContact CD2-CE2 4.31Å; W153-F519 AromaticContact CD2-CZ 3.83Å; W153-F519 HydrophobicContact CD2-CZ 3.83Å; W153-F519 AromaticContact CE2-CE2 3.97Å; W153-F519 AromaticContact CE2-CZ 3.85Å; W153-F519 HydrophobicContact CE3-CE2 4.28Å; W153-F519 AromaticContact CE3-CZ 3.92Å; W153-F519 HydrophobicContact CE3-CZ 3.92Å; W153-F519 HydrophobicContact CG-CZ 4.46Å; W153-F519 AromaticContact CH2-CE2 3.56Å; W153-F519 HydrophobicContact CH2-CE2 3.56Å; W153-F519 HydrophobicContact CH2-CZ 4.03Å; W153-F519 HydrophobicContact CZ2-CD2 4.46Å; W153-F519 AromaticContact CZ2-CE2 3.6Å; W153-F519 HydrophobicContact CZ2-CE2 3.6Å; W153-F519 AromaticContact CZ2-CZ 3.97Å; W153-F519 HydrophobicContact CZ2-CZ 3.97Å; W153-F519 AromaticContact CZ3-CE2 3.91Å; W153-F519 HydrophobicContact CZ3-CE2 3.91Å; W153-F519 HydrophobicContact CZ3-CZ 4Å
154	I	98.5	Very high	91.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.4	172	-51.3	-177.9	0	0	0	108.3	F186 Y188 V235 M236 G237 A245 L248	I154-F186 HydrophobicContact CD1-CZ 4.45Å; I154-F186 HydrophobicContact CG1-CE1 4.1Å; I154-F186 HydrophobicContact CG1-CZ 3.98Å; I154-Y188 HydrophobicContact CG2-CD1 4.43Å; I154-Y188 HydrophobicContact CG2-CE1 3.79Å; I154-V235 HydrophobicContact CD1-CG1 3.49Å; I154-V235 VanDerWaalsContact CD1-CG1 3.49Å; I154-V235 HydrophobicContact CG1-CG1 3.99Å; I154-M236 PolarHBondContact N-O 2.72Å; I154-G237 VanDerWaalsContact O-CA 3.29Å; I154-G237 WeakPolarHBondContact O-CA 3.29Å; I154-A245 HydrophobicContact CD1-CB 4.33Å; I154-L248 HydrophobicContact CD1-CD1 3.65Å
155	H	94.8	Very high	92.2	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	12%	0.12	C	C	.	.			trans	-71	150.8	178.8	70.3	79.1	0	0	0	111.9	Y167 Y188 G241	H155-Y167 HydrophobicContact CB-CE2 3.59Å; H155-Y167 WeakPolarHBondContact CB-OH 3.45Å; H155-Y188 AromaticContact CD2-CE1 3.7Å; H155-Y188 AromaticContact CE1-CE1 3.47Å; H155-Y188 VanDerWaalsContact CE1-CE1 3.47Å; H155-Y188 WeakPolarHBondContact CE1-CE1 3.31Å; H155-Y188 AromaticContact CE1-CZ 3.73Å; H155-Y188 AromaticContact ND1-CE1 3.89Å; H155-Y188 AromaticContact NE2-CD1 3.69Å; H155-Y188 AromaticContact NE2-CE1 3.34Å; H155-Y188 VanDerWaalsContact NE2-CE1 3.34Å; H155-Y188 WeakPolarHBondContact NE2-CE1 3.47Å; H155-Y188 PolarHBondContact O-OH 2.91Å; H155-G241 WeakPolarHBondContact O-CA 3.5Å
156	G	90.5	Very high	92.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.			trans	-83.7	-160.8	170.5	0	0	0	0	0	113	T161 S240 E389	G156-T161 VanDerWaalsContact O-O 3.11Å; G156-S240 VanDerWaalsContact CA-OG 3.3Å; G156-S240 WeakPolarHBondContact CA-OG 3.15Å; G156-E389 WeakPolarHBondContact CA-OE1 3.41Å
157	G	84.8	Confident	92.5	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.021	7%	0.074	C	C	.	.	S	Bend	trans	119.6	31.6	-176.9	0	0	0	0	0	114.4	F159 Q160 T161 S240 E389	G157-F159 PolarHBondContact O-N 3.46Å; G157-F159 VanDerWaalsContact O-N 3.11Å; G157-Q160 PolarHBondContact O-N 3.34Å; G157-T161 WeakPolarHBondContact CA-O 3.36Å; G157-T161 WeakPolarHBondContact CA-OG1 3.25Å; G157-T161 PolarHBondContact O-N 3.32Å; G157-T161 PolarHBondContact O-OG1 3.23Å; G157-S240 PolarHBondContact N-OG 3.48Å; G157-E389 PolarHBondContact N-OE1 3.46Å
158	D	87.4	Confident	92.3	Very high	27 Å²	27	12.4 Å²	12.4	14%	0.144	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	32.1	-179	-71.2	-39.8	0	0	0	114.3	Q160 S240 E325 E389 R390	D158-Q160 WeakPolarHBondContact O-CG 3.03Å; D158-Q160 PolarHBondContact O-N 3.47Å; D158-Q160 PolarHBondContact O-NE2 2.85Å; D158-S240 PolarHBondContact N-OG 3.11Å; D158-E325 HydrophobicContact CB-CG 4.09Å; D158-E389 PolarHBondContact N-OE1 3.31Å; D158-E389 VanDerWaalsContact OD2-CA 3.25Å; D158-E389 WeakPolarHBondContact OD2-CA 3.15Å; D158-R390 PolarHBondContact OD2-N 3.01Å
159	F	92.8	Very high	92.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	1.5	-171.4	-51.6	-81.8	0	0	0	115.2	G157 L190 G191 F195 S240 A243 S244 M273 V328 P329	G157-F159 PolarHBondContact O-N 3.46Å; G157-F159 VanDerWaalsContact O-N 3.11Å; F159-L190 CarbonylContact O-C 3.56Å; F159-L190 VanDerWaalsContact O-CA 3.31Å; F159-L190 WeakPolarHBondContact O-CA 3.22Å; F159-L190 WeakPolarHBondContact O-CB 3.29Å; F159-L190 WeakPolarHBondContact O-CD2 3.15Å; F159-G191 PolarHBondContact O-N 2.83Å; F159-F195 HydrophobicContact CB-CD2 4.01Å; F159-F195 HydrophobicContact CB-CE2 3.64Å; F159-F195 HydrophobicContact CB-CZ 4.1Å; F159-F195 HydrophobicContact CD1-CE1 4.08Å; F159-F195 AromaticContact CD1-CE2 3.95Å; F159-F195 HydrophobicContact CD1-CE2 3.95Å; F159-F195 AromaticContact CD1-CZ 3.51Å; F159-F195 HydrophobicContact CD1-CZ 3.51Å; F159-F195 HydrophobicContact CE1-CZ 4.29Å; F159-F195 HydrophobicContact CG-CE2 4.21Å; F159-F195 HydrophobicContact CG-CZ 4.16Å; F159-S240 PolarHBondContact N-OG 2.89Å; F159-A243 HydrophobicContact CZ-CB 4.08Å; F159-S244 VanDerWaalsContact CE1-OG 3.31Å; F159-S244 WeakPolarHBondContact CE1-OG 3.47Å; F159-M273 HydrophobicContact CD2-SD 4.41Å; F159-M273 HydrophobicContact CE2-CB 4.48Å; F159-M273 HydrophobicContact CE2-SD 3.56Å; F159-M273 VanDerWaalsContact CE2-SD 3.56Å; F159-M273 HydrophobicContact CZ-SD 4.28Å; F159-V328 HydrophobicContact CD2-CB 3.91Å; F159-V328 HydrophobicContact CD2-CG1 3.78Å; F159-V328 HydrophobicContact CE2-CB 4.34Å; F159-V328 HydrophobicContact CE2-CG1 4.5Å; F159-P329 HydrophobicContact CD1-CG 4.17Å; F159-P329 HydrophobicContact CE1-CG 3.59Å; F159-P329 VanDerWaalsContact CE2-CD 3.47Å; F159-P329 HydrophobicContact CE2-CG 4.1Å; F159-P329 VanDerWaalsContact CZ-CD 3.47Å; F159-P329 HydrophobicContact CZ-CG 3.57Å
160	Q	87.7	Confident	91.9	Very high	23 Å²	23	14.9 Å²	14.9	11%	0.107	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-31.9	-178.6	-55.5	-45.1	-55.6	0	0	112.8	Q110 G157 D158 G191 E325 W327	Q110-Q160 WeakPolarHBondContact CB-O 3.2Å; G157-Q160 PolarHBondContact O-N 3.34Å; D158-Q160 WeakPolarHBondContact O-CG 3.03Å; D158-Q160 PolarHBondContact O-N 3.47Å; D158-Q160 PolarHBondContact O-NE2 2.85Å; Q160-G191 VanDerWaalsContact OE1-CA 3.22Å; Q160-E325 HydrophobicContact CG-CB 4.01Å; Q160-E325 HydrophobicContact CG-CG 3.76Å; Q160-W327 PolarHBondContact NE2-O 3.33Å
161	T	86.5	Confident	91.7	Very high	10 Å²	10	15.1 Å²	15.1	6%	0.061	8%	0.083	C	C	.	.	S	Bend	trans	-139.8	176.9	-170.1	61	0	0	0	0	111.8	Q110 G156 G157 L190 S385	Q110-T161 HydrophobicContact CB-CG2 4.41Å; G156-T161 VanDerWaalsContact O-O 3.11Å; G157-T161 WeakPolarHBondContact CA-O 3.36Å; G157-T161 WeakPolarHBondContact CA-OG1 3.25Å; G157-T161 PolarHBondContact O-N 3.32Å; G157-T161 PolarHBondContact O-OG1 3.23Å; T161-L190 VanDerWaalsContact C-CD1 3.48Å; T161-S385 VanDerWaalsContact OG1-CB 3.29Å; T161-S385 WeakPolarHBondContact OG1-CB 3.38Å
162	G	87.1	Confident	91.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	8%	0.083	C	C	.	.			trans	108	167.3	176.7	0	0	0	0	0	113.7	Q110	Q110-G162 PolarHBondContact NE2-O 2.87Å
163	S	91.5	Very high	91.6	Very high	5 Å²	5	15.1 Å²	15.1	4%	0.035	8%	0.083	C	C	.	.			trans	-159.1	147.8	-179.2	176.2	0	0	0	0	111.1	A165 D166 Y167	S163-A165 PolarHBondContact O-N 3.38Å; S163-A165 VanDerWaalsContact O-N 3.13Å; S163-A165 WeakPolarHBondContact OG-CB 3.47Å; S163-A165 PolarHBondContact OG-N 3.23Å; S163-A165 VanDerWaalsContact OG-N 3.12Å; S163-D166 PolarHBondContact N-OD2 3.29Å; S163-D166 WeakPolarHBondContact O-CB 3.23Å; S163-D166 PolarHBondContact O-N 3.07Å; S163-D166 VanDerWaalsContact O-N 3.13Å; S163-Y167 WeakPolarHBondContact O-CE2 3.49Å
164	A	92.7	Very high	91.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.4	168.9	0	0	0	0	0	113.7	N187	A164-N187 WeakPolarHBondContact CB-OD1 3.26Å; A164-N187 PolarHBondContact N-OD1 3.02Å
165	A	90.2	Very high	91.5	Very high	35 Å²	35	20.9 Å²	20.9	29%	0.289	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.4	177.4	0	0	0	0	0	113.8	Y104 S163 Y167	Y104-A165 HydrophobicContact CD1-CB 3.83Å; Y104-A165 HydrophobicContact CD2-CB 4.08Å; Y104-A165 HydrophobicContact CE1-CB 4.26Å; Y104-A165 HydrophobicContact CE2-CB 4.5Å; Y104-A165 HydrophobicContact CG-CB 3.73Å; S163-A165 PolarHBondContact O-N 3.38Å; S163-A165 VanDerWaalsContact O-N 3.13Å; S163-A165 WeakPolarHBondContact OG-CB 3.47Å; S163-A165 PolarHBondContact OG-N 3.23Å; S163-A165 VanDerWaalsContact OG-N 3.12Å; A165-Y167 PolarHBondContact O-N 3Å
166	D	84.9	Confident	91.6	Very high	67 Å²	67	20.8 Å²	20.8	36%	0.358	11%	0.106	S	C	.	.	S	Bend	trans	-74.9	-15	-177.8	-61.5	-21.3	0	0	0	112.6	S163	S163-D166 PolarHBondContact N-OD2 3.29Å; S163-D166 WeakPolarHBondContact O-CB 3.23Å; S163-D166 PolarHBondContact O-N 3.07Å; S163-D166 VanDerWaalsContact O-N 3.13Å
167	Y	88.4	Confident	92	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.012	11%	0.107	C	C	.	.	S	Bend	trans	-99.6	126.9	-175.5	-54.5	-81.9	0	0	0	110.7	W153 H155 S163 A165 Q169 L515 F519 L521	W153-Y167 AromaticContact CD1-CD2 3.96Å; W153-Y167 AromaticContact CD1-CE2 3.89Å; W153-Y167 AromaticContact CE2-CE1 3.82Å; W153-Y167 AromaticContact CE2-CZ 3.64Å; W153-Y167 HydrophobicContact CZ2-CD1 4.29Å; W153-Y167 AromaticContact CZ2-CE1 3.52Å; W153-Y167 HydrophobicContact CZ2-CE1 3.52Å; W153-Y167 HydrophobicContact CZ2-CE2 4.39Å; W153-Y167 AromaticContact CZ2-CZ 3.58Å; W153-Y167 AromaticContact NE1-CD1 3.96Å; W153-Y167 AromaticContact NE1-CD2 3.39Å; W153-Y167 AromaticContact NE1-CE1 3.62Å; W153-Y167 AromaticContact NE1-CE2 3.02Å; W153-Y167 AromaticContact NE1-CG 3.85Å; W153-Y167 AromaticContact NE1-CZ 3.12Å; H155-Y167 HydrophobicContact CB-CE2 3.59Å; H155-Y167 WeakPolarHBondContact CB-OH 3.45Å; S163-Y167 WeakPolarHBondContact O-CE2 3.49Å; A165-Y167 PolarHBondContact O-N 3Å; Y167-Q169 PolarHBondContact O-N 3.11Å; Y167-L515 HydrophobicContact CE1-CD1 4.49Å; Y167-F519 HydrophobicContact CD1-CB 3.85Å; Y167-F519 AromaticContact CD1-CD1 3.89Å; Y167-F519 HydrophobicContact CD1-CD1 3.89Å; Y167-F519 AromaticContact CD1-CD2 3.56Å; Y167-F519 HydrophobicContact CD1-CD2 3.56Å; Y167-F519 HydrophobicContact CD1-CE1 4.3Å; Y167-F519 HydrophobicContact CD1-CE2 4.01Å; Y167-F519 AromaticContact CD1-CG 3.49Å; Y167-F519 HydrophobicContact CD1-CG 3.49Å; Y167-F519 VanDerWaalsContact CD1-CG 3.49Å; Y167-F519 HydrophobicContact CD1-CZ 4.35Å; Y167-F519 AromaticContact CE1-CD2 3.99Å; Y167-F519 HydrophobicContact CE1-CD2 3.99Å; Y167-F519 HydrophobicContact CE1-CE2 4.24Å; Y167-F519 HydrophobicContact CE1-CG 4.37Å; Y167-F519 HydrophobicContact CG-CD1 4.19Å; Y167-F519 HydrophobicContact CG-CE1 4.5Å; Y167-F519 HydrophobicContact CG-CG 4.22Å; Y167-L521 HydrophobicContact CD1-CD2 4.11Å
168	K	89.8	Confident	92.5	Very high	62 Å²	62	22.4 Å²	22.4	27%	0.27	12%	0.117	S	C	.	.			trans	-63.9	124	-175	-67.8	-175.9	-178	159.3	0	111.1	D170 A171 I172 F519 D520 D522	K168-D170 VanDerWaalsContact C-N 3.29Å; K168-D170 PolarHBondContact O-N 2.78Å; K168-A171 HydrophobicContact CB-CB 4.26Å; K168-A171 WeakPolarHBondContact O-CB 3.22Å; K168-A171 PolarHBondContact O-N 3.25Å; K168-A171 VanDerWaalsContact O-N 3.14Å; K168-I172 PolarHBondContact O-N 3.31Å; K168-I172 VanDerWaalsContact O-N 3.09Å; K168-F519 WeakPolarHBondContact CB-O 3.31Å; K168-D520 HydrophobicContact CD-CB 4.02Å; K168-D520 WeakPolarHBondContact CD-O 3.49Å; K168-D520 WeakPolarHBondContact CD-OD2 3.3Å; K168-D520 WeakPolarHBondContact CE-O 3.27Å; K168-D520 PolarHBondContact NZ-O 2.83Å; K168-D520 IonicContact NZ-OD2 3.57Å; K168-D520 PolarHBondContact NZ-OD2 3.17Å; K168-D522 WeakPolarHBondContact CE-OD2 3.07Å; K168-D522 IonicContact NZ-OD1 3.64Å; K168-D522 PolarHBondContact NZ-OD1 3.41Å; K168-D522 IonicContact NZ-OD2 3.77Å; K168-D522 PolarHBondContact NZ-OD2 3Å
169	Q	93.3	Very high	92.9	Very high	19 Å²	19	23.8 Å²	23.8	9%	0.089	12%	0.12	C	C	.	.	H	α-helix	trans	-53.6	-44.1	178.1	179.1	179.3	-63	0	0	112.3	F138 Y167 A171 I172 L173	F138-Q169 HydrophobicContact CD1-CG 4.07Å; F138-Q169 HydrophobicContact CE1-CB 4.38Å; F138-Q169 HydrophobicContact CE1-CG 3.69Å; Y167-Q169 PolarHBondContact O-N 3.11Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 3.23Å; Q169-I172 WeakPolarHBondContact O-CB 3.06Å; Q169-I172 PolarHBondContact O-N 3.13Å; Q169-I172 VanDerWaalsContact O-N 3.15Å; Q169-L173 HydrophobicContact CG-CD1 4.17Å; Q169-L173 HydrophobicContact CG-CG 4.32Å; Q169-L173 VanDerWaalsContact O-CG 3.31Å; Q169-L173 WeakPolarHBondContact O-CG 3.34Å; Q169-L173 PolarHBondContact O-N 3.33Å
170	D	94	Very high	93.1	Very high	53 Å²	53	28.6 Å²	28.6	28%	0.283	14%	0.143	S	C	.	.	H	α-helix	trans	-65.6	-34.7	-177.3	-70.3	1.3	0	0	0	111.9	R42 L63 K168 L173 R174	R42-D170 IonicContact CZ-OD1 2.74Å; R42-D170 IonicContact NH2-OD1 3.94Å; R42-D170 PolarHBondContact NH2-OD1 3.48Å; L63-D170 HydrophobicContact CD2-CB 3.87Å; K168-D170 VanDerWaalsContact C-N 3.29Å; K168-D170 PolarHBondContact O-N 2.78Å; D170-L173 PolarHBondContact O-N 3.41Å; D170-R174 WeakPolarHBondContact O-CB 3.19Å; D170-R174 VanDerWaalsContact O-CG 3.28Å; D170-R174 WeakPolarHBondContact O-CG 3.36Å; D170-R174 PolarHBondContact O-N 3.21Å
171	A	95.3	Very high	93.5	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-67	-42.6	172.6	0	0	0	0	0	111.4	K168 Q169 L173 R174 N175 F519 D520	K168-A171 HydrophobicContact CB-CB 4.26Å; K168-A171 WeakPolarHBondContact O-CB 3.22Å; K168-A171 PolarHBondContact O-N 3.25Å; K168-A171 VanDerWaalsContact O-N 3.14Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 3.23Å; A171-L173 VanDerWaalsContact C-N 3.32Å; A171-L173 PolarHBondContact O-N 2.65Å; A171-R174 PolarHBondContact O-N 3.12Å; A171-N175 WeakPolarHBondContact O-CB 3.26Å; A171-N175 PolarHBondContact O-N 3.29Å; A171-F519 WeakPolarHBondContact CB-O 3.48Å; A171-D520 HydrophobicContact CB-CB 3.88Å
172	I	97.7	Very high	94.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-56.8	-47.9	174.3	-66.3	168.6	0	0	0	110.8	F138 K168 Q169 F176 V177 F183 F519	F138-I172 HydrophobicContact CB-CG2 4.14Å; F138-I172 HydrophobicContact CD1-CG2 4.48Å; F138-I172 HydrophobicContact CD2-CG2 3.92Å; F138-I172 HydrophobicContact CE2-CD1 4.13Å; F138-I172 HydrophobicContact CE2-CG2 4.5Å; F138-I172 HydrophobicContact CG-CG2 3.92Å; F138-I172 HydrophobicContact CZ-CD1 4.29Å; K168-I172 PolarHBondContact O-N 3.31Å; K168-I172 VanDerWaalsContact O-N 3.09Å; Q169-I172 WeakPolarHBondContact O-CB 3.06Å; Q169-I172 PolarHBondContact O-N 3.13Å; Q169-I172 VanDerWaalsContact O-N 3.15Å; I172-F176 PolarHBondContact O-N 2.99Å; I172-V177 HydrophobicContact CG2-CG2 4.29Å; I172-V177 PolarHBondContact O-N 3.19Å; I172-F183 HydrophobicContact CD1-CD1 4.37Å; I172-F183 HydrophobicContact CD1-CE1 4.06Å; I172-F183 HydrophobicContact CG1-CD1 4.45Å; I172-F183 HydrophobicContact CG1-CE1 4.18Å; I172-F183 HydrophobicContact CG2-CB 3.82Å; I172-F183 HydrophobicContact CG2-CD1 3.5Å; I172-F183 HydrophobicContact CG2-CD2 4.26Å; I172-F183 HydrophobicContact CG2-CE1 4.07Å; I172-F183 HydrophobicContact CG2-CG 3.6Å; I172-F519 HydrophobicContact CG1-CD1 3.94Å; I172-F519 HydrophobicContact CG1-CE1 4Å
173	L	97.7	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-48.3	-180	-66	-178.6	0	0	0	111.7	L61 L63 F68 V70 F138 Q169 D170 A171 V177 S178	L61-L173 HydrophobicContact CD1-CD1 4.31Å; L63-L173 HydrophobicContact CD2-CB 3.95Å; L63-L173 HydrophobicContact CD2-CD1 4.25Å; F68-L173 HydrophobicContact CB-CD1 4.16Å; F68-L173 HydrophobicContact CB-CD2 3.71Å; F68-L173 HydrophobicContact CB-CG 4.47Å; F68-L173 HydrophobicContact CD1-CB 4.49Å; F68-L173 HydrophobicContact CD1-CD2 4.06Å; F68-L173 HydrophobicContact CD2-CB 4.19Å; F68-L173 HydrophobicContact CD2-CD1 3.99Å; F68-L173 HydrophobicContact CD2-CD2 4.4Å; F68-L173 HydrophobicContact CD2-CG 4.41Å; F68-L173 HydrophobicContact CE2-CB 4.27Å; F68-L173 HydrophobicContact CG-CB 4.28Å; F68-L173 HydrophobicContact CG-CD1 4.14Å; F68-L173 HydrophobicContact CG-CD2 3.79Å; F68-L173 HydrophobicContact CG-CG 4.28Å; F68-L173 HydrophobicContact CZ-CB 4.45Å; V70-L173 HydrophobicContact CG2-CD1 4.38Å; V70-L173 HydrophobicContact CG2-CD2 4.01Å; F138-L173 HydrophobicContact CB-CD2 4.06Å; F138-L173 HydrophobicContact CD1-CD2 4.27Å; Q169-L173 HydrophobicContact CG-CD1 4.17Å; Q169-L173 HydrophobicContact CG-CG 4.32Å; Q169-L173 VanDerWaalsContact O-CG 3.31Å; Q169-L173 WeakPolarHBondContact O-CG 3.34Å; Q169-L173 PolarHBondContact O-N 3.33Å; D170-L173 PolarHBondContact O-N 3.41Å; A171-L173 VanDerWaalsContact C-N 3.32Å; A171-L173 PolarHBondContact O-N 2.65Å; L173-V177 HydrophobicContact CD2-CB 4.14Å; L173-V177 HydrophobicContact CD2-CG1 4.47Å; L173-V177 HydrophobicContact CD2-CG2 3.91Å; L173-V177 PolarHBondContact O-N 2.78Å; L173-S178 PolarHBondContact O-N 3.24Å
174	R	96.5	Very high	95	Very high	103 Å²	103	26.7 Å²	26.7	39%	0.389	13%	0.132	S	C	.	.	H	α-helix	trans	-67.3	-42.9	-179.4	-75.4	173.6	-178.3	149.5	2.9	113.5	L63 D64 D170 A171 S178	L63-R174 HydrophobicContact CD2-CG 3.85Å; D64-R174 IonicContact OD1-NH2 3.88Å; D64-R174 WeakPolarHBondContact OD2-CD 3.06Å; D64-R174 WeakPolarHBondContact OD2-CG 3.37Å; D64-R174 IonicContact OD2-CZ 2.77Å; D64-R174 IonicContact OD2-NE 3.57Å; D64-R174 PolarHBondContact OD2-NE 3.11Å; D64-R174 IonicContact OD2-NH2 3.67Å; D170-R174 WeakPolarHBondContact O-CB 3.19Å; D170-R174 VanDerWaalsContact O-CG 3.28Å; D170-R174 WeakPolarHBondContact O-CG 3.36Å; D170-R174 PolarHBondContact O-N 3.21Å; A171-R174 PolarHBondContact O-N 3.12Å; R174-S178 PolarHBondContact O-OG 3.18Å
175	N	97.5	Very high	95.3	Very high	20 Å²	20	26.7 Å²	26.7	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-89.6	-28.9	-167.9	-67.2	-17.5	0	0	0	112.4	A171 R179 L518 T541 S545	A171-N175 WeakPolarHBondContact O-CB 3.26Å; A171-N175 PolarHBondContact O-N 3.29Å; N175-R179 VanDerWaalsContact O-CD 3.32Å; N175-R179 WeakPolarHBondContact O-CD 3.47Å; N175-L518 PolarHBondContact ND2-O 2.81Å; N175-T541 WeakPolarHBondContact OD1-CG2 3.46Å; N175-S545 WeakPolarHBondContact CB-OG 3.48Å; N175-S545 WeakPolarHBondContact O-CB 3.46Å
176	F	98.3	Very high	95.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-56	-177.3	-55.4	-79.5	0	0	0	112.5	I151 I172 S178 R179 I181 F183 M236 L518 F519 T549	I151-F176 HydrophobicContact CD1-CD1 3.86Å; I151-F176 HydrophobicContact CD1-CE1 4.29Å; I172-F176 PolarHBondContact O-N 2.99Å; F176-S178 PolarHBondContact O-N 3.46Å; F176-R179 WeakPolarHBondContact O-CA 3.46Å; F176-R179 WeakPolarHBondContact O-CB 3.49Å; F176-R179 PolarHBondContact O-N 3.29Å; F176-I181 WeakPolarHBondContact O-CB 3.42Å; F176-F183 HydrophobicContact CB-CB 4.45Å; F176-F183 HydrophobicContact CB-CD2 3.75Å; F176-F183 HydrophobicContact CB-CE2 4.47Å; F176-F183 HydrophobicContact CB-CG 4.48Å; F176-F183 HydrophobicContact CD1-CD2 4.15Å; F176-F183 HydrophobicContact CD1-CE2 4.18Å; F176-F183 AromaticContact CD2-CD2 3.69Å; F176-F183 HydrophobicContact CD2-CD2 3.69Å; F176-F183 AromaticContact CD2-CE2 3.6Å; F176-F183 HydrophobicContact CD2-CE2 3.6Å; F176-F183 HydrophobicContact CD2-CZ 4.48Å; F176-F183 HydrophobicContact CE1-CE2 4.32Å; F176-F183 HydrophobicContact CE2-CD2 4.33Å; F176-F183 AromaticContact CE2-CE2 3.76Å; F176-F183 HydrophobicContact CE2-CE2 3.76Å; F176-F183 HydrophobicContact CE2-CZ 4.46Å; F176-F183 AromaticContact CG-CD2 3.58Å; F176-F183 HydrophobicContact CG-CD2 3.58Å; F176-F183 AromaticContact CG-CE2 3.82Å; F176-F183 HydrophobicContact CG-CE2 3.82Å; F176-F183 HydrophobicContact CZ-CE2 4.12Å; F176-M236 HydrophobicContact CE1-CE 3.9Å; F176-M236 HydrophobicContact CE1-SD 4.5Å; F176-M236 HydrophobicContact CZ-CE 3.76Å; F176-L518 HydrophobicContact CZ-CB 4.5Å; F176-L518 HydrophobicContact CZ-CD2 4.03Å; F176-F519 HydrophobicContact CE2-CD1 4.43Å; F176-F519 AromaticContact CE2-CE1 3.79Å; F176-F519 HydrophobicContact CE2-CE1 3.79Å; F176-F519 HydrophobicContact CE2-CZ 4.15Å; F176-F519 HydrophobicContact CZ-CE1 4.45Å; F176-F519 HydrophobicContact CZ-CZ 4.36Å; F176-T549 HydrophobicContact CD1-CG2 3.86Å
177	V	98	Very high	96.3	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-68.5	-37.3	-169.3	-168.9	0	0	0	0	112.2	F68 F138 P140 I172 L173 R179 Q180 I181 F183	F68-V177 HydrophobicContact CD1-CB 3.91Å; F68-V177 HydrophobicContact CD1-CG1 3.53Å; F68-V177 HydrophobicContact CE1-CB 4.04Å; F68-V177 HydrophobicContact CE1-CG1 4.01Å; F138-V177 HydrophobicContact CB-CG2 3.75Å; P140-V177 HydrophobicContact CG-CG1 4.08Å; I172-V177 HydrophobicContact CG2-CG2 4.29Å; I172-V177 PolarHBondContact O-N 3.19Å; L173-V177 HydrophobicContact CD2-CB 4.14Å; L173-V177 HydrophobicContact CD2-CG1 4.47Å; L173-V177 HydrophobicContact CD2-CG2 3.91Å; L173-V177 PolarHBondContact O-N 2.78Å; V177-R179 PolarHBondContact O-N 2.82Å; V177-R179 VanDerWaalsContact O-N 3.1Å; V177-Q180 PolarHBondContact O-N 2.88Å; V177-I181 WeakPolarHBondContact CA-O 3.37Å; V177-F183 HydrophobicContact CG2-CB 4.13Å
178	S	96.4	Very high	96.8	Very high	34 Å²	34	22.1 Å²	22.1	24%	0.238	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-57.7	-23.1	172.5	77.2	0	0	0	0	113	L173 R174 F176 Q180	L173-S178 PolarHBondContact O-N 3.24Å; R174-S178 PolarHBondContact O-OG 3.18Å; F176-S178 PolarHBondContact O-N 3.46Å; S178-Q180 VanDerWaalsContact C-N 3.27Å; S178-Q180 PolarHBondContact O-N 2.87Å
179	R	95.2	Very high	97.2	Very high	55 Å²	55	19.5 Å²	19.5	21%	0.208	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-94.2	23.4	178.2	-56.7	-175.9	176.1	-95.8	2.6	112.6	N175 F176 V177 E542 E546 T549 R553	N175-R179 VanDerWaalsContact O-CD 3.32Å; N175-R179 WeakPolarHBondContact O-CD 3.47Å; F176-R179 WeakPolarHBondContact O-CA 3.46Å; F176-R179 WeakPolarHBondContact O-CB 3.49Å; F176-R179 PolarHBondContact O-N 3.29Å; V177-R179 PolarHBondContact O-N 2.82Å; V177-R179 VanDerWaalsContact O-N 3.1Å; R179-E542 PolarHBondContact NH2-O 2.98Å; R179-E546 IonicContact CZ-OE2 3.75Å; R179-E546 VanDerWaalsContact NH1-CB 3.29Å; R179-E546 IonicContact NH1-OE2 3.31Å; R179-E546 PolarHBondContact NH1-OE2 3.11Å; R179-E546 IonicContact NH2-OE2 2.71Å; R179-T549 HydrophobicContact CB-CG2 4.15Å; R179-T549 WeakPolarHBondContact CD-OG1 3.34Å; R179-R553 PolarHBondContact O-NH2 3.4Å
180	Q	95.6	Very high	97.3	Very high	101 Å²	101	18.6 Å²	18.6	47%	0.472	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	45.3	177.8	-61.8	-179.5	-25.4	0	0	112.7	Y148 P149 V177 S178	Y148-Q180 HydrophobicContact CD1-CB 3.66Å; Y148-Q180 HydrophobicContact CD1-CG 4.44Å; Y148-Q180 WeakPolarHBondContact CD1-O 3.31Å; Y148-Q180 HydrophobicContact CE1-CB 3.7Å; Y148-Q180 HydrophobicContact CE1-CG 3.98Å; P149-Q180 WeakPolarHBondContact CD-O 3.43Å; V177-Q180 PolarHBondContact O-N 2.88Å; S178-Q180 VanDerWaalsContact C-N 3.27Å; S178-Q180 PolarHBondContact O-N 2.87Å
181	I	97.9	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.			trans	-116.3	137.2	175.5	-61.3	-63.6	0	0	0	109.3	P149 I151 F176 V177 T549 A552	P149-I181 HydrophobicContact CB-CD1 3.77Å; P149-I181 HydrophobicContact CG-CD1 3.64Å; I151-I181 HydrophobicContact CB-CG2 3.99Å; I151-I181 HydrophobicContact CD1-CG2 3.95Å; I151-I181 HydrophobicContact CG1-CG2 3.76Å; F176-I181 WeakPolarHBondContact O-CB 3.42Å; V177-I181 WeakPolarHBondContact CA-O 3.37Å; I181-T549 HydrophobicContact CG1-CG2 3.72Å; I181-A552 HydrophobicContact CD1-CB 4.4Å
182	V	98.4	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.4	162.8	174.8	0	0	0	0	107.8	V137 Y148 P149 I150 I151 V184 I223	V137-V182 HydrophobicContact CG1-CG1 3.89Å; Y148-V182 HydrophobicContact CD2-CG2 4.45Å; P149-V182 PolarHBondContact O-N 3.37Å; I150-V182 CarbonylContact C-O 3.52Å; I150-V182 VanDerWaalsContact CA-O 3.27Å; I150-V182 WeakPolarHBondContact CA-O 3.32Å; I150-V182 HydrophobicContact CG1-CB 4.15Å; I150-V182 HydrophobicContact CG1-CG1 4.49Å; I151-V182 PolarHBondContact N-O 3Å; V182-V184 HydrophobicContact CG1-CG2 4.08Å; V182-I223 HydrophobicContact CG1-CD1 3.76Å; V182-I223 HydrophobicContact CG1-CG1 4.11Å
183	F	98.8	Very high	97	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.6	178.5	-165.6	-82.4	0	0	0	109.6	F138 I151 W153 I172 F176 V177 M236 F519	F138-F183 HydrophobicContact CB-CB 4.38Å; F138-F183 HydrophobicContact CD2-CD1 4.1Å; F138-F183 WeakPolarHBondContact CD2-O 3.4Å; F138-F183 PolarHBondContact N-O 3.38Å; F138-F183 PolarHBondContact O-N 2.87Å; I151-F183 HydrophobicContact CB-CD2 4.1Å; I151-F183 HydrophobicContact CB-CE2 4.47Å; I151-F183 HydrophobicContact CG2-CD2 3.95Å; I151-F183 HydrophobicContact CG2-CE2 3.81Å; I151-F183 WeakPolarHBondContact O-CA 3.5Å; W153-F183 HydrophobicContact CB-CE1 3.61Å; W153-F183 HydrophobicContact CB-CE2 4.38Å; W153-F183 HydrophobicContact CB-CZ 3.43Å; W153-F183 VanDerWaalsContact CB-CZ 3.43Å; W153-F183 HydrophobicContact CD2-CZ 4.42Å; W153-F183 HydrophobicContact CG-CE1 4.22Å; W153-F183 AromaticContact CG-CZ 3.88Å; W153-F183 HydrophobicContact CG-CZ 3.88Å; I172-F183 HydrophobicContact CD1-CD1 4.37Å; I172-F183 HydrophobicContact CD1-CE1 4.06Å; I172-F183 HydrophobicContact CG1-CD1 4.45Å; I172-F183 HydrophobicContact CG1-CE1 4.18Å; I172-F183 HydrophobicContact CG2-CB 3.82Å; I172-F183 HydrophobicContact CG2-CD1 3.5Å; I172-F183 HydrophobicContact CG2-CD2 4.26Å; I172-F183 HydrophobicContact CG2-CE1 4.07Å; I172-F183 HydrophobicContact CG2-CG 3.6Å; F176-F183 HydrophobicContact CB-CB 4.45Å; F176-F183 HydrophobicContact CB-CD2 3.75Å; F176-F183 HydrophobicContact CB-CE2 4.47Å; F176-F183 HydrophobicContact CB-CG 4.48Å; F176-F183 HydrophobicContact CD1-CD2 4.15Å; F176-F183 HydrophobicContact CD1-CE2 4.18Å; F176-F183 AromaticContact CD2-CD2 3.69Å; F176-F183 HydrophobicContact CD2-CD2 3.69Å; F176-F183 AromaticContact CD2-CE2 3.6Å; F176-F183 HydrophobicContact CD2-CE2 3.6Å; F176-F183 HydrophobicContact CD2-CZ 4.48Å; F176-F183 HydrophobicContact CE1-CE2 4.32Å; F176-F183 HydrophobicContact CE2-CD2 4.33Å; F176-F183 AromaticContact CE2-CE2 3.76Å; F176-F183 HydrophobicContact CE2-CE2 3.76Å; F176-F183 HydrophobicContact CE2-CZ 4.46Å; F176-F183 AromaticContact CG-CD2 3.58Å; F176-F183 HydrophobicContact CG-CD2 3.58Å; F176-F183 AromaticContact CG-CE2 3.82Å; F176-F183 HydrophobicContact CG-CE2 3.82Å; F176-F183 HydrophobicContact CZ-CE2 4.12Å; V177-F183 HydrophobicContact CG2-CB 4.13Å; F183-M236 HydrophobicContact CE2-CE 3.9Å; F183-M236 HydrophobicContact CZ-CE 4.35Å; F183-F519 HydrophobicContact CE1-CE1 4.48Å; F183-F519 HydrophobicContact CE2-CE1 4.3Å; F183-F519 HydrophobicContact CE2-CZ 4.49Å; F183-F519 AromaticContact CZ-CE1 3.7Å; F183-F519 HydrophobicContact CZ-CE1 3.7Å; F183-F519 AromaticContact CZ-CZ 3.96Å; F183-F519 HydrophobicContact CZ-CZ 3.96Å
184	V	98.9	Very high	97	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129	-177.9	-176.2	0	0	0	0	109.2	I135 N136 V137 I150 I151 V152 W153 V182 I219 I223	I135-V184 HydrophobicContact CD1-CG1 3.39Å; I135-V184 HydrophobicContact CG1-CG1 3.46Å; I135-V184 VanDerWaalsContact CG1-CG1 3.46Å; N136-V184 VanDerWaalsContact O-CA 3.3Å; N136-V184 WeakPolarHBondContact O-CA 3.26Å; V137-V184 HydrophobicContact CG1-CG2 4.49Å; V137-V184 HydrophobicContact CG2-CG2 4.43Å; I150-V184 HydrophobicContact CG2-CG2 3.91Å; I151-V184 PolarHBondContact O-N 2.64Å; V152-V184 CarbonylContact C-O 3.33Å; V152-V184 WeakPolarHBondContact CA-O 3.38Å; W153-V184 PolarHBondContact N-O 3.05Å; V182-V184 HydrophobicContact CG1-CG2 4.08Å; V184-I219 HydrophobicContact CB-CD1 4.35Å; V184-I219 HydrophobicContact CG1-CD1 3.84Å; V184-I219 HydrophobicContact CG1-CG1 4.13Å; V184-I223 HydrophobicContact CG2-CD1 3.76Å
185	S	98.4	Very high	97	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.9	173.1	67.9	0	0	0	0	110.5	I135 N136	I135-S185 CarbonylContact C-O 3.57Å; I135-S185 WeakPolarHBondContact CA-O 3.47Å; N136-S185 PolarHBondContact N-O 2.75Å; N136-S185 PolarHBondContact ND2-O 3.15Å; N136-S185 PolarHBondContact ND2-OG 3.19Å; N136-S185 PolarHBondContact O-N 3.09Å
186	F	98.5	Very high	96.9	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	160.2	-177.2	64	-81.8	0	0	0	112	Y76 Y134 I135 V152 I154 Y188 Q212 A215	Y76-F186 HydrophobicContact CD1-CB 4.48Å; Y76-F186 HydrophobicContact CE1-CB 4.1Å; Y76-F186 HydrophobicContact CE1-CD2 4.27Å; Y134-F186 VanDerWaalsContact O-CA 3.31Å; Y134-F186 WeakPolarHBondContact O-CA 3.48Å; Y134-F186 WeakPolarHBondContact O-CB 3.37Å; I135-F186 HydrophobicContact CB-CB 4.03Å; I135-F186 HydrophobicContact CD1-CB 4.28Å; I135-F186 HydrophobicContact CG1-CB 3.9Å; V152-F186 HydrophobicContact CG1-CD1 4.21Å; V152-F186 HydrophobicContact CG1-CE1 3.69Å; I154-F186 HydrophobicContact CD1-CZ 4.45Å; I154-F186 HydrophobicContact CG1-CE1 4.1Å; I154-F186 HydrophobicContact CG1-CZ 3.98Å; F186-Y188 HydrophobicContact CE2-CD1 4.28Å; F186-Q212 HydrophobicContact CE2-CB 3.91Å; F186-Q212 HydrophobicContact CE2-CG 3.57Å; F186-Q212 HydrophobicContact CZ-CB 3.87Å; F186-Q212 HydrophobicContact CZ-CG 3.73Å; F186-A215 HydrophobicContact CD1-CB 4.09Å; F186-A215 HydrophobicContact CD2-CB 3.72Å; F186-A215 HydrophobicContact CE1-CB 4.21Å; F186-A215 HydrophobicContact CE2-CB 3.84Å; F186-A215 HydrophobicContact CG-CB 3.85Å; F186-A215 HydrophobicContact CZ-CB 4.09Å
187	N	97.8	Very high	96.8	Very high	6 Å²	6	10.5 Å²	10.5	3%	0.032	5%	0.051	C	C	.	.			trans	-95.3	144.7	173	-70.9	-19.9	0	0	0	110.2	Y76 P106 C132 Y134 A164	Y76-N187 WeakPolarHBondContact CE1-O 2.94Å; Y76-N187 PolarHBondContact OH-O 3.44Å; P106-N187 PolarHBondContact O-ND2 2.77Å; C132-N187 WeakPolarHBondContact O-CB 3.48Å; Y134-N187 PolarHBondContact O-N 2.86Å; A164-N187 WeakPolarHBondContact CB-OD1 3.26Å; A164-N187 PolarHBondContact N-OD1 3.02Å
188	Y	98.5	Very high	96.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.			trans	-130.6	156.5	173.1	59	-85.5	0	0	0	109.8	C108 I154 H155 F186 L190 F195 Q212	C108-Y188 VanDerWaalsContact SG-C 3.53Å; C108-Y188 PolarHBondContact SG-O 2.76Å; I154-Y188 HydrophobicContact CG2-CD1 4.43Å; I154-Y188 HydrophobicContact CG2-CE1 3.79Å; H155-Y188 AromaticContact CD2-CE1 3.7Å; H155-Y188 AromaticContact CE1-CE1 3.47Å; H155-Y188 VanDerWaalsContact CE1-CE1 3.47Å; H155-Y188 WeakPolarHBondContact CE1-CE1 3.31Å; H155-Y188 AromaticContact CE1-CZ 3.73Å; H155-Y188 AromaticContact ND1-CE1 3.89Å; H155-Y188 AromaticContact NE2-CD1 3.69Å; H155-Y188 AromaticContact NE2-CE1 3.34Å; H155-Y188 VanDerWaalsContact NE2-CE1 3.34Å; H155-Y188 WeakPolarHBondContact NE2-CE1 3.47Å; H155-Y188 PolarHBondContact O-OH 2.91Å; F186-Y188 HydrophobicContact CE2-CD1 4.28Å; Y188-L190 HydrophobicContact CD2-CD2 4.04Å; Y188-L190 HydrophobicContact CE2-CD2 3.45Å; Y188-L190 VanDerWaalsContact CE2-CD2 3.45Å; Y188-F195 HydrophobicContact CE2-CZ 4.45Å; Y188-Q212 HydrophobicContact CD1-CG 4.21Å; Y188-Q212 HydrophobicContact CG-CG 4.05Å
189	R	98.2	Very high	96.6	Very high	8 Å²	8	11.7 Å²	11.7	3%	0.03	7%	0.068	C	C	.	.			trans	-62.3	138.6	179.5	-75.6	171.6	-75.7	177.5	-2.7	111.4	P80 Q87 L133 F195 G208 D211	P80-R189 HydrophobicContact CG-CG 4.2Å; Q87-R189 VanDerWaalsContact O-CZ 3.26Å; Q87-R189 PolarHBondContact O-NH1 2.9Å; Q87-R189 PolarHBondContact O-NH2 2.7Å; L133-R189 HydrophobicContact CD2-CG 4.25Å; R189-F195 WeakPolarHBondContact O-CE2 3.4Å; R189-G208 WeakPolarHBondContact O-CA 3.39Å; R189-D211 VanDerWaalsContact CB-OD2 3.23Å; R189-D211 WeakPolarHBondContact CB-OD2 3.24Å; R189-D211 VanDerWaalsContact CG-OD2 3.25Å; R189-D211 WeakPolarHBondContact CG-OD2 3.2Å; R189-D211 IonicContact CZ-OD1 3.69Å; R189-D211 IonicContact CZ-OD2 2.76Å; R189-D211 PolarHBondContact N-OD2 2.89Å; R189-D211 IonicContact NE-OD1 2.8Å; R189-D211 PolarHBondContact NE-OD1 3.49Å; R189-D211 IonicContact NE-OD2 3.33Å; R189-D211 PolarHBondContact NE-OD2 3.19Å; R189-D211 IonicContact NH2-OD1 3.18Å; R189-D211 PolarHBondContact NH2-OD1 2.62Å; R189-D211 IonicContact NH2-OD2 3.46Å
190	L	95	Very high	96.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.			trans	-116.3	161.5	-175.6	-62.6	168	0	0	0	111.4	C108 Q110 F159 T161 Y188 L193 G194 Y312	C108-L190 HydrophobicContact CB-CD1 4.35Å; C108-L190 HydrophobicContact CB-CG 4.49Å; Q110-L190 HydrophobicContact CB-CD1 4.33Å; F159-L190 CarbonylContact O-C 3.56Å; F159-L190 VanDerWaalsContact O-CA 3.31Å; F159-L190 WeakPolarHBondContact O-CA 3.22Å; F159-L190 WeakPolarHBondContact O-CB 3.29Å; F159-L190 WeakPolarHBondContact O-CD2 3.15Å; T161-L190 VanDerWaalsContact C-CD1 3.48Å; Y188-L190 HydrophobicContact CD2-CD2 4.04Å; Y188-L190 HydrophobicContact CE2-CD2 3.45Å; Y188-L190 VanDerWaalsContact CE2-CD2 3.45Å; L190-L193 PolarHBondContact O-N 3.27Å; L190-G194 PolarHBondContact O-N 3.35Å; L190-Y312 PolarHBondContact O-OH 2.77Å
191	G	92.6	Very high	96.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	52	-141.5	176.5	0	0	0	0	0	112.9	F159 Q160 L193 G194 F195	F159-G191 PolarHBondContact O-N 2.83Å; Q160-G191 VanDerWaalsContact OE1-CA 3.22Å; G191-L193 VanDerWaalsContact C-N 3.28Å; G191-L193 PolarHBondContact O-N 3.28Å; G191-G194 PolarHBondContact O-N 2.81Å; G191-F195 PolarHBondContact O-N 2.86Å
192	P	93.6	Very high	96.3	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.013	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-34.9	-175.8	20.9	-32.8	0	0	0	113.5	F86 G194 A196 I311 Y312 W327	F86-P192 WeakPolarHBondContact CE1-O 3.29Å; P192-G194 VanDerWaalsContact C-N 3.27Å; P192-G194 PolarHBondContact O-N 3.13Å; P192-A196 WeakPolarHBondContact O-CB 3.47Å; P192-A196 PolarHBondContact O-N 2.85Å; P192-I311 HydrophobicContact CB-CG2 3.76Å; P192-I311 HydrophobicContact CG-CG2 3.41Å; P192-I311 VanDerWaalsContact CG-CG2 3.41Å; P192-Y312 HydrophobicContact CG-CD1 4.31Å; P192-Y312 HydrophobicContact CG-CD2 4.38Å; P192-Y312 HydrophobicContact CG-CE1 4.1Å; P192-Y312 HydrophobicContact CG-CE2 4.2Å; P192-Y312 HydrophobicContact CG-CG 4.45Å; P192-W327 HydrophobicContact CB-CD2 3.9Å; P192-W327 HydrophobicContact CB-CE3 4.41Å; P192-W327 HydrophobicContact CB-CG 4.15Å; P192-W327 HydrophobicContact CB-CZ2 4.22Å; P192-W327 HydrophobicContact CG-CD2 4.3Å; P192-W327 HydrophobicContact CG-CE3 4.31Å; P192-W327 HydrophobicContact CG-CZ3 4.48Å
193	L	96	Very high	96.2	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-69.3	-26.5	177.8	-62.1	-176.2	0	0	0	113.2	R85 F86 A109 E130 L190 G191 I311 Y312	R85-L193 HydrophobicContact CG-CD2 3.87Å; F86-L193 HydrophobicContact CD1-CD2 4.36Å; F86-L193 HydrophobicContact CE1-CD2 3.57Å; F86-L193 HydrophobicContact CE2-CD2 4.1Å; F86-L193 HydrophobicContact CZ-CD2 3.41Å; F86-L193 VanDerWaalsContact CZ-CD2 3.41Å; A109-L193 HydrophobicContact CB-CD1 3.83Å; E130-L193 HydrophobicContact CG-CD1 3.66Å; L190-L193 PolarHBondContact O-N 3.27Å; G191-L193 VanDerWaalsContact C-N 3.28Å; G191-L193 PolarHBondContact O-N 3.28Å; L193-I311 HydrophobicContact CD2-CD1 4.36Å; L193-Y312 WeakPolarHBondContact CB-OH 3.34Å; L193-Y312 HydrophobicContact CD1-CE2 3.69Å; L193-Y312 HydrophobicContact CG-CE2 3.64Å; L193-Y312 VanDerWaalsContact CG-OH 3.3Å; L193-Y312 WeakPolarHBondContact CG-OH 3.45Å
194	G	97.3	Very high	96	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-90.3	-30.2	176.9	0	0	0	0	0	113.9	L190 G191 P192 N206 N207 G208	L190-G194 PolarHBondContact O-N 3.35Å; G191-G194 PolarHBondContact O-N 2.81Å; P192-G194 VanDerWaalsContact C-N 3.27Å; P192-G194 PolarHBondContact O-N 3.13Å; G194-N206 CarbonylContact O-C 3.51Å; G194-N207 CarbonylContact O-C 3.56Å; G194-N207 WeakPolarHBondContact O-CA 3.46Å; G194-N207 WeakPolarHBondContact O-CB 3.39Å; G194-N207 PolarHBondContact O-N 3.43Å; G194-G208 PolarHBondContact O-N 3Å
195	F	96.9	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-139.4	4.6	-162.9	-58.3	-79.8	0	0	0	115.2	F159 Y188 R189 G191 S197 L209 W327 P329	F159-F195 HydrophobicContact CB-CD2 4.01Å; F159-F195 HydrophobicContact CB-CE2 3.64Å; F159-F195 HydrophobicContact CB-CZ 4.1Å; F159-F195 HydrophobicContact CD1-CE1 4.08Å; F159-F195 AromaticContact CD1-CE2 3.95Å; F159-F195 HydrophobicContact CD1-CE2 3.95Å; F159-F195 AromaticContact CD1-CZ 3.51Å; F159-F195 HydrophobicContact CD1-CZ 3.51Å; F159-F195 HydrophobicContact CE1-CZ 4.29Å; F159-F195 HydrophobicContact CG-CE2 4.21Å; F159-F195 HydrophobicContact CG-CZ 4.16Å; Y188-F195 HydrophobicContact CE2-CZ 4.45Å; R189-F195 WeakPolarHBondContact O-CE2 3.4Å; G191-F195 PolarHBondContact O-N 2.86Å; F195-S197 PolarHBondContact O-N 3.44Å; F195-L209 HydrophobicContact CE1-CG 4.27Å; F195-W327 HydrophobicContact CB-CB 4.08Å; F195-W327 WeakPolarHBondContact CB-O 3.25Å; F195-P329 HydrophobicContact CD1-CG 4.16Å; F195-P329 HydrophobicContact CE1-CG 3.81Å
196	A	95.2	Very high	95.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	12%	0.123	C	C	.	.			trans	-59.5	136.1	170.4	0	0	0	0	0	111.1	F86 P192 L203 G205 T282	F86-A196 HydrophobicContact CD1-CB 4.44Å; F86-A196 HydrophobicContact CE1-CB 4.28Å; P192-A196 WeakPolarHBondContact O-CB 3.47Å; P192-A196 PolarHBondContact O-N 2.85Å; A196-L203 HydrophobicContact CB-CD2 4.23Å; A196-L203 WeakPolarHBondContact O-CG 3.16Å; A196-G205 VanDerWaalsContact O-CA 3.26Å; A196-G205 WeakPolarHBondContact O-CA 3.46Å; A196-T282 WeakPolarHBondContact CA-OG1 3.49Å; A196-T282 HydrophobicContact CB-CG2 3.94Å; A196-T282 WeakPolarHBondContact CB-OG1 3.23Å
197	S	95.9	Very high	95.8	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.014	12%	0.123	C	C	.	.			trans	-140.1	146.5	-178.1	-177.8	0	0	0	0	110.2	F195 G199 L203 P204 I279 T282	F195-S197 PolarHBondContact O-N 3.44Å; S197-G199 PolarHBondContact OG-N 2.92Å; S197-G199 VanDerWaalsContact OG-N 3.13Å; S197-L203 CarbonylContact C-O 3.6Å; S197-L203 WeakPolarHBondContact CA-O 3.06Å; S197-L203 PolarHBondContact OG-O 3.23Å; S197-P204 WeakPolarHBondContact CB-O 3.5Å; S197-P204 PolarHBondContact OG-O 3.23Å; S197-I279 WeakPolarHBondContact O-CA 3.27Å; S197-T282 PolarHBondContact N-OG1 3.1Å; S197-T282 WeakPolarHBondContact O-CB 3.48Å; S197-T282 WeakPolarHBondContact O-CG2 3.42Å; S197-T282 PolarHBondContact O-OG1 3.31Å
198	T	95.8	Very high	95.8	Very high	9 Å²	9	19.5 Å²	19.5	6%	0.055	12%	0.122	C	C	.	.			trans	-100.9	-1.8	168	45.7	0	0	0	0	113	D200 L203 W283 S296 L299	T198-D200 VanDerWaalsContact C-N 3.27Å; T198-D200 PolarHBondContact OG1-OD1 2.9Å; T198-L203 HydrophobicContact CG2-CB 4.16Å; T198-L203 HydrophobicContact CG2-CD2 4.31Å; T198-L203 PolarHBondContact N-O 3.27Å; T198-L203 WeakPolarHBondContact OG1-CB 2.96Å; T198-L203 PolarHBondContact OG1-N 3.47Å; T198-L203 PolarHBondContact OG1-O 2.92Å; T198-W283 HydrophobicContact CG2-CZ2 4.04Å; T198-S296 WeakPolarHBondContact CB-OG 3.14Å; T198-L299 HydrophobicContact CG2-CD2 4.04Å
199	G	93.8	Very high	95.8	Very high	53 Å²	53	19.5 Å²	19.5	55%	0.546	12%	0.122	S	C	.	.	S	Bend	trans	76.8	11.6	-177.4	0	0	0	0	0	114.2	S197	S197-G199 PolarHBondContact OG-N 2.92Å; S197-G199 VanDerWaalsContact OG-N 3.13Å
200	D	94.4	Very high	95.8	Very high	62 Å²	62	21 Å²	21	33%	0.332	13%	0.127	S	C	.	.	S	Bend	trans	-136	177.6	176.9	64.6	16.8	0	0	0	111.2	T198 V202 L203 P204 S296	T198-D200 VanDerWaalsContact C-N 3.27Å; T198-D200 PolarHBondContact OG1-OD1 2.9Å; D200-V202 PolarHBondContact O-N 3.13Å; D200-V202 VanDerWaalsContact O-N 3.11Å; D200-V202 WeakPolarHBondContact OD1-CB 3.15Å; D200-V202 PolarHBondContact OD1-N 3.36Å; D200-L203 CarbonylContact O-C 3.46Å; D200-P204 WeakPolarHBondContact O-CA 3.4Å; D200-S296 VanDerWaalsContact CG-OG 3.31Å; D200-S296 WeakPolarHBondContact OD1-CB 3.04Å; D200-S296 PolarHBondContact OD1-OG 3.13Å; D200-S296 VanDerWaalsContact OD2-CB 3.23Å; D200-S296 WeakPolarHBondContact OD2-CB 3.47Å; D200-S296 PolarHBondContact OD2-OG 2.85Å
201	D	93.5	Very high	96	Very high	159 Å²	159	21 Å²	21	85%	0.85	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.8	-175.2	-62.3	-25	0	0	0	114.2
202	V	95.5	Very high	96.3	Very high	53 Å²	53	21 Å²	21	32%	0.321	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-42.9	-177.6	179.7	0	0	0	0	111.3	D200 L300	D200-V202 PolarHBondContact O-N 3.13Å; D200-V202 VanDerWaalsContact O-N 3.11Å; D200-V202 WeakPolarHBondContact OD1-CB 3.15Å; D200-V202 PolarHBondContact OD1-N 3.36Å; V202-L300 HydrophobicContact CG1-CD2 4.04Å
203	L	95.5	Very high	96.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	13%	0.127	C	C	.	.	S	Bend	trans	-137.1	79.3	171.4	179.5	60.5	0	0	0	107.5	F86 A196 S197 T198 D200 G205 T282 L300 L303	F86-L203 HydrophobicContact CB-CD1 3.79Å; A196-L203 HydrophobicContact CB-CD2 4.23Å; A196-L203 WeakPolarHBondContact O-CG 3.16Å; S197-L203 CarbonylContact C-O 3.6Å; S197-L203 WeakPolarHBondContact CA-O 3.06Å; S197-L203 PolarHBondContact OG-O 3.23Å; T198-L203 HydrophobicContact CG2-CB 4.16Å; T198-L203 HydrophobicContact CG2-CD2 4.31Å; T198-L203 PolarHBondContact N-O 3.27Å; T198-L203 WeakPolarHBondContact OG1-CB 2.96Å; T198-L203 PolarHBondContact OG1-N 3.47Å; T198-L203 PolarHBondContact OG1-O 2.92Å; D200-L203 CarbonylContact O-C 3.46Å; L203-G205 PolarHBondContact O-N 3.39Å; L203-T282 HydrophobicContact CD2-CG2 4.23Å; L203-L300 HydrophobicContact CD1-CD1 4.28Å; L203-L300 HydrophobicContact CD2-CD1 4.5Å; L203-L303 HydrophobicContact CD2-CD1 4.27Å
204	P	94.6	Very high	96.6	Very high	48 Å²	48	21 Å²	21	31%	0.312	13%	0.127	S	C	.	.			trans	-67.2	-25.5	-174	25	-33.9	0	0	0	112.6	S197 D200 V330 D332	S197-P204 WeakPolarHBondContact CB-O 3.5Å; S197-P204 PolarHBondContact OG-O 3.23Å; D200-P204 WeakPolarHBondContact O-CA 3.4Å; P204-V330 WeakPolarHBondContact O-CG2 3.24Å; P204-D332 HydrophobicContact CB-CB 4.49Å
205	G	95.1	Very high	96.7	Very high	1 Å²	1	21 Å²	21	1%	0.01	13%	0.127	C	C	.	.			trans	98.1	-159.2	-176	0	0	0	0	0	112.7	A196 L203 N207	A196-G205 VanDerWaalsContact O-CA 3.26Å; A196-G205 WeakPolarHBondContact O-CA 3.46Å; L203-G205 PolarHBondContact O-N 3.39Å; G205-N207 PolarHBondContact O-N 3.35Å
206	N	97.8	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.			trans	56	20.2	175.2	-63.7	-24.6	0	0	0	116.3	G194 G208 L209 W210 P329 V330 D332 V337	G194-N206 CarbonylContact O-C 3.51Å; N206-G208 PolarHBondContact O-N 3.23Å; N206-L209 HydrophobicContact CB-CB 4.39Å; N206-L209 HydrophobicContact CB-CD1 4.28Å; N206-L209 WeakPolarHBondContact O-CA 3.47Å; N206-L209 WeakPolarHBondContact O-CB 3.22Å; N206-L209 PolarHBondContact O-N 3.02Å; N206-W210 PolarHBondContact O-N 3.09Å; N206-P329 VanDerWaalsContact OD1-CA 3.31Å; N206-P329 WeakPolarHBondContact OD1-CA 3.31Å; N206-V330 PolarHBondContact ND2-O 3.01Å; N206-V330 PolarHBondContact OD1-N 3.02Å; N206-D332 PolarHBondContact ND2-OD2 3.28Å; N206-V337 HydrophobicContact CB-CB 4.43Å; N206-V337 HydrophobicContact CB-CG2 4.28Å
207	N	98	Very high	97	Very high	4 Å²	4	25 Å²	25	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-55.4	-37	176.3	-78.9	-40.6	0	0	0	112.6	F86 Q87 G194 G205 L209 W210 D211	F86-N207 WeakPolarHBondContact CA-ND2 3.03Å; F86-N207 PolarHBondContact O-ND2 3.28Å; Q87-N207 VanDerWaalsContact C-OD1 3.24Å; Q87-N207 PolarHBondContact O-OD1 2.92Å; G194-N207 CarbonylContact O-C 3.56Å; G194-N207 WeakPolarHBondContact O-CA 3.46Å; G194-N207 WeakPolarHBondContact O-CB 3.39Å; G194-N207 PolarHBondContact O-N 3.43Å; G205-N207 PolarHBondContact O-N 3.35Å; N207-L209 VanDerWaalsContact C-N 3.31Å; N207-L209 PolarHBondContact O-N 2.81Å; N207-W210 PolarHBondContact O-N 2.88Å; N207-D211 PolarHBondContact O-N 2.86Å
208	G	98.4	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-32.3	173.9	0	0	0	0	0	113.3	R189 G194 N206 D211 Q212	R189-G208 WeakPolarHBondContact O-CA 3.39Å; G194-G208 PolarHBondContact O-N 3Å; N206-G208 PolarHBondContact O-N 3.23Å; G208-D211 WeakPolarHBondContact O-CB 3.36Å; G208-Q212 VanDerWaalsContact O-CG 3.31Å; G208-Q212 WeakPolarHBondContact O-CG 3.48Å; G208-Q212 PolarHBondContact O-N 3.22Å
209	L	98.7	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-77.1	-37.5	172.4	-64.9	178.9	0	0	0	111.9	F195 N206 N207 D211 Q212 I213 L247 P329 V337 I338	F195-L209 HydrophobicContact CE1-CG 4.27Å; N206-L209 HydrophobicContact CB-CB 4.39Å; N206-L209 HydrophobicContact CB-CD1 4.28Å; N206-L209 WeakPolarHBondContact O-CA 3.47Å; N206-L209 WeakPolarHBondContact O-CB 3.22Å; N206-L209 PolarHBondContact O-N 3.02Å; N207-L209 VanDerWaalsContact C-N 3.31Å; N207-L209 PolarHBondContact O-N 2.81Å; L209-D211 VanDerWaalsContact C-N 3.26Å; L209-D211 PolarHBondContact O-N 3.38Å; L209-Q212 WeakPolarHBondContact O-CB 3.47Å; L209-Q212 PolarHBondContact O-N 2.98Å; L209-Q212 VanDerWaalsContact O-N 3.13Å; L209-I213 WeakPolarHBondContact O-CG1 3.47Å; L209-I213 PolarHBondContact O-N 3.18Å; L209-L247 HydrophobicContact CD1-CD1 4.18Å; L209-P329 HydrophobicContact CD1-CB 4.09Å; L209-P329 HydrophobicContact CD1-CG 4.17Å; L209-V337 HydrophobicContact CB-CG1 3.93Å; L209-V337 HydrophobicContact CD1-CG1 3.9Å; L209-I338 HydrophobicContact CD1-CD1 3.64Å; L209-I338 HydrophobicContact CD1-CG1 4.14Å
210	W	98.5	Very high	97.4	Very high	39 Å²	39	25.8 Å²	25.8	15%	0.148	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-37.9	172.4	-79.7	117.5	0	0	0	112.2	P88 P89 N206 N207 I213 E214 H253 V337	P88-W210 HydrophobicContact CB-CG 4.4Å; P89-W210 HydrophobicContact CG-CB 4.23Å; P89-W210 WeakPolarHBondContact CG-O 3.25Å; N206-W210 PolarHBondContact O-N 3.09Å; N207-W210 PolarHBondContact O-N 2.88Å; W210-I213 HydrophobicContact CD2-CD1 4.43Å; W210-I213 HydrophobicContact CE3-CB 4.42Å; W210-I213 HydrophobicContact CE3-CD1 3.84Å; W210-I213 HydrophobicContact CE3-CG2 4.43Å; W210-I213 HydrophobicContact CZ3-CD1 4.08Å; W210-I213 PolarHBondContact O-N 3.09Å; W210-E214 PolarHBondContact O-N 3Å; W210-H253 HydrophobicContact CH2-CB 4.48Å; W210-H253 AromaticContact CH2-CD2 3.64Å; W210-H253 AromaticContact CH2-CE1 3.57Å; W210-H253 AromaticContact CH2-CG 3.67Å; W210-H253 AromaticContact CH2-ND1 3.65Å; W210-H253 AromaticContact CH2-NE2 3.55Å; W210-H253 HydrophobicContact CZ3-CB 4.3Å; W210-H253 AromaticContact CZ3-CG 3.94Å; W210-V337 HydrophobicContact CD2-CG2 3.63Å; W210-V337 HydrophobicContact CE3-CG2 4.28Å; W210-V337 HydrophobicContact CG-CG2 3.94Å; W210-V337 HydrophobicContact CH2-CG2 4.32Å; W210-V337 HydrophobicContact CZ2-CG2 3.67Å
211	D	98.8	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-46.6	171.6	-67	-15.8	0	0	0	111.5	Y76 P89 L133 R189 N207 G208 L209 I213 E214 A215	Y76-D211 VanDerWaalsContact CE2-O 3.26Å; Y76-D211 WeakPolarHBondContact CE2-O 3.33Å; P89-D211 WeakPolarHBondContact CB-OD1 3.4Å; L133-D211 HydrophobicContact CD2-CB 4.21Å; L133-D211 WeakPolarHBondContact CD2-OD2 3.07Å; R189-D211 VanDerWaalsContact CB-OD2 3.23Å; R189-D211 WeakPolarHBondContact CB-OD2 3.24Å; R189-D211 VanDerWaalsContact CG-OD2 3.25Å; R189-D211 WeakPolarHBondContact CG-OD2 3.2Å; R189-D211 IonicContact CZ-OD1 3.69Å; R189-D211 IonicContact CZ-OD2 2.76Å; R189-D211 PolarHBondContact N-OD2 2.89Å; R189-D211 IonicContact NE-OD1 2.8Å; R189-D211 PolarHBondContact NE-OD1 3.49Å; R189-D211 IonicContact NE-OD2 3.33Å; R189-D211 PolarHBondContact NE-OD2 3.19Å; R189-D211 IonicContact NH2-OD1 3.18Å; R189-D211 PolarHBondContact NH2-OD1 2.62Å; R189-D211 IonicContact NH2-OD2 3.46Å; N207-D211 PolarHBondContact O-N 2.86Å; G208-D211 WeakPolarHBondContact O-CB 3.36Å; L209-D211 VanDerWaalsContact C-N 3.26Å; L209-D211 PolarHBondContact O-N 3.38Å; D211-I213 PolarHBondContact O-N 2.74Å; D211-E214 PolarHBondContact O-N 2.93Å; D211-A215 PolarHBondContact O-N 3.3Å
212	Q	98.8	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-38.6	176.9	-60.2	165.8	17.1	0	0	112.4	F186 Y188 G208 L209 E214 A215 L216 S244 L248	F186-Q212 HydrophobicContact CE2-CB 3.91Å; F186-Q212 HydrophobicContact CE2-CG 3.57Å; F186-Q212 HydrophobicContact CZ-CB 3.87Å; F186-Q212 HydrophobicContact CZ-CG 3.73Å; Y188-Q212 HydrophobicContact CD1-CG 4.21Å; Y188-Q212 HydrophobicContact CG-CG 4.05Å; G208-Q212 VanDerWaalsContact O-CG 3.31Å; G208-Q212 WeakPolarHBondContact O-CG 3.48Å; G208-Q212 PolarHBondContact O-N 3.22Å; L209-Q212 WeakPolarHBondContact O-CB 3.47Å; L209-Q212 PolarHBondContact O-N 2.98Å; L209-Q212 VanDerWaalsContact O-N 3.13Å; Q212-E214 VanDerWaalsContact C-N 3.35Å; Q212-A215 PolarHBondContact O-N 2.94Å; Q212-L216 WeakPolarHBondContact O-CG 3.22Å; Q212-L216 PolarHBondContact O-N 3.38Å; Q212-S244 PolarHBondContact NE2-OG 3.09Å; Q212-S244 VanDerWaalsContact NE2-OG 3.11Å; Q212-S244 VanDerWaalsContact OE1-CB 3.27Å; Q212-L248 HydrophobicContact CB-CD1 3.93Å; Q212-L248 HydrophobicContact CB-CD2 4.42Å
213	I	98.7	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-43.5	173.8	-67.6	166.8	0	0	0	110.4	L209 W210 D211 A215 L216 R217 L248 H253 T254 V337	L209-I213 WeakPolarHBondContact O-CG1 3.47Å; L209-I213 PolarHBondContact O-N 3.18Å; W210-I213 HydrophobicContact CD2-CD1 4.43Å; W210-I213 HydrophobicContact CE3-CB 4.42Å; W210-I213 HydrophobicContact CE3-CD1 3.84Å; W210-I213 HydrophobicContact CE3-CG2 4.43Å; W210-I213 HydrophobicContact CZ3-CD1 4.08Å; W210-I213 PolarHBondContact O-N 3.09Å; D211-I213 PolarHBondContact O-N 2.74Å; I213-A215 VanDerWaalsContact C-N 3.35Å; I213-L216 WeakPolarHBondContact O-CB 3.33Å; I213-L216 PolarHBondContact O-N 3.22Å; I213-R217 WeakPolarHBondContact O-CG 3.48Å; I213-R217 PolarHBondContact O-N 3.27Å; I213-L248 HydrophobicContact CD1-CD2 4.26Å; I213-L248 HydrophobicContact CG1-CD2 3.6Å; I213-H253 HydrophobicContact CD1-CB 3.93Å; I213-H253 HydrophobicContact CG2-CB 4.47Å; I213-T254 HydrophobicContact CD1-CG2 4.45Å; I213-T254 HydrophobicContact CG1-CG2 3.8Å; I213-V337 HydrophobicContact CD1-CG1 3.9Å; I213-V337 HydrophobicContact CD1-CG2 3.98Å
214	E	98.6	Very high	97.8	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-36.2	178.2	-172.8	49.3	-130.8	0	0	112.1	Y76 A77 P89 Q91 W210 D211 Q212 L216 R217 W218 R221	Y76-E214 HydrophobicContact CD2-CB 4.45Å; Y76-E214 HydrophobicContact CD2-CG 4.29Å; Y76-E214 HydrophobicContact CE2-CB 4.37Å; A77-E214 HydrophobicContact CB-CG 4.28Å; P89-E214 HydrophobicContact CB-CB 4.21Å; P89-E214 HydrophobicContact CB-CG 4.4Å; P89-E214 HydrophobicContact CG-CB 3.67Å; P89-E214 HydrophobicContact CG-CG 4.3Å; Q91-E214 VanDerWaalsContact NE2-CD 3.27Å; Q91-E214 PolarHBondContact NE2-OE1 2.8Å; Q91-E214 PolarHBondContact NE2-OE2 2.85Å; W210-E214 PolarHBondContact O-N 3Å; D211-E214 PolarHBondContact O-N 2.93Å; Q212-E214 VanDerWaalsContact C-N 3.35Å; E214-L216 VanDerWaalsContact C-N 3.35Å; E214-L216 PolarHBondContact O-N 3.02Å; E214-R217 PolarHBondContact O-N 3.2Å; E214-R217 WeakPolarHBondContact OE2-CD 3.42Å; E214-R217 IonicContact OE2-NH1 3.6Å; E214-W218 WeakPolarHBondContact O-CB 3.31Å; E214-W218 PolarHBondContact O-N 3.35Å; E214-R221 IonicContact OE1-CZ 3.45Å; E214-R221 IonicContact OE1-NH1 3.24Å; E214-R221 PolarHBondContact OE1-NH1 2.97Å; E214-R221 IonicContact OE1-NH2 2.72Å; E214-R221 PolarHBondContact OE1-NH2 2.75Å
215	A	98.7	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-43.8	170.6	0	0	0	0	0	111.7	Y76 I135 F186 D211 Q212 I213 R217 W218 I219	Y76-A215 HydrophobicContact CD2-CB 3.94Å; Y76-A215 HydrophobicContact CE2-CB 3.87Å; Y76-A215 HydrophobicContact CG-CB 4.32Å; I135-A215 HydrophobicContact CD1-CB 4.4Å; F186-A215 HydrophobicContact CD1-CB 4.09Å; F186-A215 HydrophobicContact CD2-CB 3.72Å; F186-A215 HydrophobicContact CE1-CB 4.21Å; F186-A215 HydrophobicContact CE2-CB 3.84Å; F186-A215 HydrophobicContact CG-CB 3.85Å; F186-A215 HydrophobicContact CZ-CB 4.09Å; D211-A215 PolarHBondContact O-N 3.3Å; Q212-A215 PolarHBondContact O-N 2.94Å; I213-A215 VanDerWaalsContact C-N 3.35Å; A215-R217 PolarHBondContact O-N 3.44Å; A215-W218 WeakPolarHBondContact O-CB 3.31Å; A215-W218 PolarHBondContact O-N 3.32Å; A215-I219 VanDerWaalsContact O-CG1 3.26Å; A215-I219 WeakPolarHBondContact O-CG1 3.23Å; A215-I219 PolarHBondContact O-N 3.44Å
216	L	98.7	Very high	97.9	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-41	174.5	-71.2	174.4	0	0	0	112.5	V152 Q212 I213 E214 I219 H220 V233 V235 L248 T254 L257	V152-L216 HydrophobicContact CG1-CD2 4.25Å; V152-L216 HydrophobicContact CG2-CD2 4.35Å; Q212-L216 WeakPolarHBondContact O-CG 3.22Å; Q212-L216 PolarHBondContact O-N 3.38Å; I213-L216 WeakPolarHBondContact O-CB 3.33Å; I213-L216 PolarHBondContact O-N 3.22Å; E214-L216 VanDerWaalsContact C-N 3.35Å; E214-L216 PolarHBondContact O-N 3.02Å; L216-I219 HydrophobicContact CD2-CD1 4.42Å; L216-I219 WeakPolarHBondContact O-CB 3.34Å; L216-I219 PolarHBondContact O-N 3.2Å; L216-H220 PolarHBondContact O-N 2.7Å; L216-V233 HydrophobicContact CD2-CG1 4.31Å; L216-V235 HydrophobicContact CD2-CG2 3.89Å; L216-L248 HydrophobicContact CD1-CD1 4.18Å; L216-T254 HydrophobicContact CD1-CG2 4.09Å; L216-L257 HydrophobicContact CB-CB 4.2Å; L216-L257 HydrophobicContact CB-CD1 4.08Å
217	R	98.4	Very high	97.8	Very high	84 Å²	84	26.2 Å²	26.2	32%	0.317	11%	0.113	S	C	.	.	H	α-helix	trans	-65	-40.5	175	-67.3	173.6	175	160.8	0.6	111.3	I213 E214 A215 I219 H220 R221 L257	I213-R217 WeakPolarHBondContact O-CG 3.48Å; I213-R217 PolarHBondContact O-N 3.27Å; E214-R217 PolarHBondContact O-N 3.2Å; E214-R217 WeakPolarHBondContact OE2-CD 3.42Å; E214-R217 IonicContact OE2-NH1 3.6Å; A215-R217 PolarHBondContact O-N 3.44Å; R217-I219 VanDerWaalsContact C-N 3.34Å; R217-H220 PolarHBondContact O-N 3.08Å; R217-R221 VanDerWaalsContact C-NH1 3.35Å; R217-R221 VanDerWaalsContact CB-NH1 3.27Å; R217-R221 WeakPolarHBondContact O-CG 3.49Å; R217-R221 PolarHBondContact O-N 2.73Å; R217-R221 PolarHBondContact O-NH1 3.39Å; R217-L257 HydrophobicContact CG-CD1 3.62Å; R217-L257 HydrophobicContact CG-CD2 4.49Å
218	W	98.4	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61	-43.1	174.7	-176.9	100.9	0	0	0	111.6	I51 I74 I135 V137 E214 A215 R221 N222 F226	I51-W218 HydrophobicContact CD1-CZ2 3.88Å; I74-W218 HydrophobicContact CD1-CH2 4.22Å; I74-W218 HydrophobicContact CD1-CZ2 4.46Å; I74-W218 HydrophobicContact CG2-CZ2 3.81Å; I135-W218 HydrophobicContact CD1-CE3 3.76Å; I135-W218 HydrophobicContact CD1-CZ3 4.07Å; I135-W218 HydrophobicContact CG2-CD2 4.21Å; I135-W218 HydrophobicContact CG2-CE3 4.06Å; I135-W218 HydrophobicContact CG2-CH2 4.02Å; I135-W218 HydrophobicContact CG2-CZ2 4.15Å; I135-W218 HydrophobicContact CG2-CZ3 3.97Å; V137-W218 HydrophobicContact CG2-CH2 4.18Å; V137-W218 HydrophobicContact CG2-CZ3 4.14Å; E214-W218 WeakPolarHBondContact O-CB 3.31Å; E214-W218 PolarHBondContact O-N 3.35Å; A215-W218 WeakPolarHBondContact O-CB 3.31Å; A215-W218 PolarHBondContact O-N 3.32Å; W218-R221 PolarHBondContact O-N 2.87Å; W218-N222 HydrophobicContact CD2-CB 4.3Å; W218-N222 HydrophobicContact CE3-CB 4.36Å; W218-N222 HydrophobicContact CH2-CB 4.02Å; W218-N222 HydrophobicContact CZ2-CB 3.94Å; W218-N222 HydrophobicContact CZ3-CB 4.23Å; W218-N222 PolarHBondContact NE1-ND2 2.71Å; W218-N222 WeakPolarHBondContact O-CB 3.4Å; W218-N222 PolarHBondContact O-N 3.01Å; W218-N222 PolarHBondContact O-ND2 3.13Å; W218-F226 AromaticContact CH2-CE2 3.81Å; W218-F226 HydrophobicContact CH2-CE2 3.81Å; W218-F226 HydrophobicContact CH2-CZ 4.02Å
219	I	98.5	Very high	97.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-51.6	175	-71.5	162.5	0	0	0	109.2	I135 I150 V152 V184 A215 L216 R217 R221 N222 I223	I135-I219 HydrophobicContact CD1-CD1 4.16Å; I135-I219 HydrophobicContact CD1-CG1 3.95Å; I150-I219 HydrophobicContact CD1-CG2 4.26Å; V152-I219 HydrophobicContact CB-CD1 4.36Å; V152-I219 HydrophobicContact CG1-CD1 3.82Å; V152-I219 HydrophobicContact CG2-CD1 3.58Å; V184-I219 HydrophobicContact CB-CD1 4.35Å; V184-I219 HydrophobicContact CG1-CD1 3.84Å; V184-I219 HydrophobicContact CG1-CG1 4.13Å; A215-I219 VanDerWaalsContact O-CG1 3.26Å; A215-I219 WeakPolarHBondContact O-CG1 3.23Å; A215-I219 PolarHBondContact O-N 3.44Å; L216-I219 HydrophobicContact CD2-CD1 4.42Å; L216-I219 WeakPolarHBondContact O-CB 3.34Å; L216-I219 PolarHBondContact O-N 3.2Å; R217-I219 VanDerWaalsContact C-N 3.34Å; I219-R221 PolarHBondContact O-N 3.49Å; I219-N222 PolarHBondContact O-N 3.47Å; I219-N222 VanDerWaalsContact O-N 3.15Å; I219-I223 HydrophobicContact CG2-CB 3.85Å; I219-I223 HydrophobicContact CG2-CG1 4.12Å; I219-I223 HydrophobicContact CG2-CG2 3.94Å; I219-I223 WeakPolarHBondContact O-CB 3.49Å; I219-I223 WeakPolarHBondContact O-CG2 3.29Å; I219-I223 PolarHBondContact O-N 3.25Å
220	H	97.3	Very high	97.7	Very high	79 Å²	79	28.7 Å²	28.7	37%	0.366	13%	0.127	S	C	.	.	H	α-helix	trans	-58.8	-34.3	-180	-168.6	-85.2	0	0	0	112.9	L216 R217 L257	L216-H220 PolarHBondContact O-N 2.7Å; R217-H220 PolarHBondContact O-N 3.08Å; H220-L257 HydrophobicContact CB-CD2 4.16Å
221	R	97.1	Very high	97.7	Very high	99 Å²	99	32.2 Å²	32.2	37%	0.374	15%	0.145	S	C	.	.	H	α-helix	trans	-74.5	-36.1	176.9	-69.8	-171.9	-57.9	-86.1	-0	113.9	Q91 E214 R217 W218 I219	Q91-R221 VanDerWaalsContact OE1-CZ 3.31Å; E214-R221 IonicContact OE1-CZ 3.45Å; E214-R221 IonicContact OE1-NH1 3.24Å; E214-R221 PolarHBondContact OE1-NH1 2.97Å; E214-R221 IonicContact OE1-NH2 2.72Å; E214-R221 PolarHBondContact OE1-NH2 2.75Å; R217-R221 VanDerWaalsContact C-NH1 3.35Å; R217-R221 VanDerWaalsContact CB-NH1 3.27Å; R217-R221 WeakPolarHBondContact O-CG 3.49Å; R217-R221 PolarHBondContact O-N 2.73Å; R217-R221 PolarHBondContact O-NH1 3.39Å; W218-R221 PolarHBondContact O-N 2.87Å; I219-R221 PolarHBondContact O-N 3.49Å
222	N	97.8	Very high	97.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-118.4	-23.8	-163.8	-61.8	-75.3	0	0	0	115	I51 S52 W218 I219 K224 I225 F226	I51-N222 HydrophobicContact CG2-CB 4.38Å; S52-N222 WeakPolarHBondContact CB-OD1 3.38Å; S52-N222 PolarHBondContact N-OD1 3.13Å; S52-N222 PolarHBondContact OG-ND2 3.12Å; S52-N222 PolarHBondContact OG-OD1 3.43Å; W218-N222 HydrophobicContact CD2-CB 4.3Å; W218-N222 HydrophobicContact CE3-CB 4.36Å; W218-N222 HydrophobicContact CH2-CB 4.02Å; W218-N222 HydrophobicContact CZ2-CB 3.94Å; W218-N222 HydrophobicContact CZ3-CB 4.23Å; W218-N222 PolarHBondContact NE1-ND2 2.71Å; W218-N222 WeakPolarHBondContact O-CB 3.4Å; W218-N222 PolarHBondContact O-N 3.01Å; W218-N222 PolarHBondContact O-ND2 3.13Å; I219-N222 PolarHBondContact O-N 3.47Å; I219-N222 VanDerWaalsContact O-N 3.15Å; N222-K224 PolarHBondContact O-N 3.22Å; N222-K224 VanDerWaalsContact O-N 3.09Å; N222-I225 WeakPolarHBondContact O-CB 3.43Å; N222-I225 PolarHBondContact O-N 2.74Å; N222-F226 HydrophobicContact CB-CE2 4.41Å; N222-F226 WeakPolarHBondContact O-CD2 3.42Å
223	I	97.5	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-65.4	-24.5	-163.2	-157.1	63.8	0	0	0	114.2	V137 I150 V182 V184 I219 I225 F226 G227 G228 P230	V137-I223 HydrophobicContact CG1-CD1 4.02Å; V137-I223 HydrophobicContact CG2-CD1 4.34Å; I150-I223 HydrophobicContact CD1-CB 4.1Å; I150-I223 HydrophobicContact CD1-CG1 3.61Å; I150-I223 HydrophobicContact CD1-CG2 3.44Å; I150-I223 VanDerWaalsContact CD1-CG2 3.44Å; I150-I223 HydrophobicContact CG1-CG1 4.02Å; V182-I223 HydrophobicContact CG1-CD1 3.76Å; V182-I223 HydrophobicContact CG1-CG1 4.11Å; V184-I223 HydrophobicContact CG2-CD1 3.76Å; I219-I223 HydrophobicContact CG2-CB 3.85Å; I219-I223 HydrophobicContact CG2-CG1 4.12Å; I219-I223 HydrophobicContact CG2-CG2 3.94Å; I219-I223 WeakPolarHBondContact O-CB 3.49Å; I219-I223 WeakPolarHBondContact O-CG2 3.29Å; I219-I223 PolarHBondContact O-N 3.25Å; I223-I225 PolarHBondContact O-N 3.38Å; I223-F226 HydrophobicContact CD1-CB 4.36Å; I223-F226 HydrophobicContact CD1-CD2 4.3Å; I223-F226 CarbonylContact O-C 3.59Å; I223-F226 WeakPolarHBondContact O-CA 3.28Å; I223-F226 WeakPolarHBondContact O-CB 3.48Å; I223-F226 PolarHBondContact O-N 2.92Å; I223-G227 PolarHBondContact O-N 2.92Å; I223-G228 PolarHBondContact O-N 3.15Å; I223-P230 HydrophobicContact CG2-CB 4.25Å
224	K	96.1	Very high	97.6	Very high	167 Å²	167	35.3 Å²	35.3	73%	0.726	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-58.1	-31.5	174.6	-173.2	175.7	179.4	179.1	0	112.7	N222 F226 G227 G228	N222-K224 PolarHBondContact O-N 3.22Å; N222-K224 VanDerWaalsContact O-N 3.09Å; K224-F226 PolarHBondContact O-N 2.88Å; K224-G227 PolarHBondContact O-N 3.05Å; K224-G227 VanDerWaalsContact O-N 3.07Å; K224-G228 WeakPolarHBondContact CA-O 3.31Å
225	I	95.4	Very high	97.6	Very high	62 Å²	62	34.9 Å²	34.9	32%	0.318	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-67.5	-25.6	177.6	-62	154.3	0	0	0	111.3	L49 T50 I51 N222 I223 G227	L49-I225 HydrophobicContact CB-CG2 4.06Å; L49-I225 HydrophobicContact CD1-CG2 4.3Å; L49-I225 HydrophobicContact CD2-CG2 4.39Å; L49-I225 HydrophobicContact CG-CG2 4.49Å; T50-I225 WeakPolarHBondContact O-CD1 3.2Å; I51-I225 HydrophobicContact CG2-CD1 4.27Å; N222-I225 WeakPolarHBondContact O-CB 3.43Å; N222-I225 PolarHBondContact O-N 2.74Å; I223-I225 PolarHBondContact O-N 3.38Å; I225-G227 VanDerWaalsContact C-N 3.34Å
226	F	96.1	Very high	97.6	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-94.1	7.7	176	-55	-97.4	0	0	0	112.2	L49 I51 I56 F71 I74 V137 S139 Q142 W218 N222 I223 K224	L49-F226 HydrophobicContact CD1-CD1 3.97Å; L49-F226 HydrophobicContact CD1-CE1 4.17Å; I51-F226 HydrophobicContact CG2-CE2 3.65Å; I51-F226 HydrophobicContact CG2-CZ 3.69Å; I56-F226 HydrophobicContact CD1-CE1 3.88Å; I56-F226 HydrophobicContact CD1-CZ 3.67Å; F71-F226 HydrophobicContact CB-CE1 4.16Å; F71-F226 HydrophobicContact CD1-CE1 4.27Å; F71-F226 AromaticContact CD2-CD1 3.75Å; F71-F226 HydrophobicContact CD2-CD1 3.75Å; F71-F226 AromaticContact CD2-CE1 3.62Å; F71-F226 HydrophobicContact CD2-CE1 3.62Å; F71-F226 AromaticContact CE2-CD1 3.97Å; F71-F226 HydrophobicContact CE2-CD1 3.97Å; F71-F226 HydrophobicContact CE2-CE1 4.06Å; F71-F226 HydrophobicContact CG-CD1 4.36Å; F71-F226 AromaticContact CG-CE1 3.76Å; F71-F226 HydrophobicContact CG-CE1 3.76Å; I74-F226 HydrophobicContact CD1-CE1 4.34Å; I74-F226 HydrophobicContact CD1-CZ 4.07Å; V137-F226 HydrophobicContact CB-CD1 3.98Å; V137-F226 HydrophobicContact CB-CE1 4.12Å; V137-F226 HydrophobicContact CB-CG 4.46Å; V137-F226 HydrophobicContact CG1-CB 3.87Å; V137-F226 HydrophobicContact CG1-CD1 3.63Å; V137-F226 HydrophobicContact CG1-CE1 4.27Å; V137-F226 HydrophobicContact CG1-CG 3.77Å; V137-F226 HydrophobicContact CG2-CD1 4.4Å; V137-F226 HydrophobicContact CG2-CE1 4.26Å; V137-F226 HydrophobicContact CG2-CZ 4.37Å; S139-F226 WeakPolarHBondContact CB-O 3.27Å; Q142-F226 PolarHBondContact NE2-O 3.24Å; W218-F226 AromaticContact CH2-CE2 3.81Å; W218-F226 HydrophobicContact CH2-CE2 3.81Å; W218-F226 HydrophobicContact CH2-CZ 4.02Å; N222-F226 HydrophobicContact CB-CE2 4.41Å; N222-F226 WeakPolarHBondContact O-CD2 3.42Å; I223-F226 HydrophobicContact CD1-CB 4.36Å; I223-F226 HydrophobicContact CD1-CD2 4.3Å; I223-F226 CarbonylContact O-C 3.59Å; I223-F226 WeakPolarHBondContact O-CA 3.28Å; I223-F226 WeakPolarHBondContact O-CB 3.48Å; I223-F226 PolarHBondContact O-N 2.92Å; K224-F226 PolarHBondContact O-N 2.88Å
227	G	96.2	Very high	97.6	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	11.5	-176.6	0	0	0	0	0	115.6	Q142 S147 Y148 I223 K224 I225	Q142-G227 VanDerWaalsContact CD-CA 3.42Å; S147-G227 CarbonylContact C-O 3.56Å; S147-G227 WeakPolarHBondContact CA-O 3.3Å; Y148-G227 WeakPolarHBondContact CD2-O 3.5Å; Y148-G227 PolarHBondContact N-O 3.43Å; I223-G227 PolarHBondContact O-N 2.92Å; K224-G227 PolarHBondContact O-N 3.05Å; K224-G227 VanDerWaalsContact O-N 3.07Å; I225-G227 VanDerWaalsContact C-N 3.34Å
228	G	97.6	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	148.8	177.3	0	0	0	0	0	113.1	Y148 I223 K224 P230	Y148-G228 CarbonylContact O-C 3.54Å; I223-G228 PolarHBondContact O-N 3.15Å; K224-G228 WeakPolarHBondContact CA-O 3.31Å; G228-P230 WeakPolarHBondContact O-CD 3.39Å
229	D	97.5	Very high	97.3	Very high	33 Å²	33	30.8 Å²	30.8	18%	0.176	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.6	175.4	-170	-12	0	0	0	111.5	S147 Y148 I150 Q231 R232	S147-D229 WeakPolarHBondContact OG-CA 3.38Å; S147-D229 VanDerWaalsContact OG-CB 3.23Å; S147-D229 WeakPolarHBondContact OG-CB 3.36Å; Y148-D229 WeakPolarHBondContact O-CB 3.44Å; Y148-D229 PolarHBondContact O-N 3.45Å; I150-D229 VanDerWaalsContact CD1-O 3.24Å; I150-D229 WeakPolarHBondContact CD1-O 3.3Å; D229-Q231 PolarHBondContact O-N 3.47Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.44Å; D229-Q231 PolarHBondContact OD1-N 2.87Å; D229-R232 HydrophobicContact CB-CB 4.24Å; D229-R232 PolarHBondContact O-N 3.26Å; D229-R232 IonicContact OD2-CZ 2.7Å; D229-R232 IonicContact OD2-NE 3.75Å; D229-R232 PolarHBondContact OD2-NE 3.41Å; D229-R232 IonicContact OD2-NH2 3.87Å; D229-R232 PolarHBondContact OD2-NH2 3.22Å
230	P	97.3	Very high	97.2	Very high	23 Å²	23	30.7 Å²	30.7	15%	0.149	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-10.8	-179.5	27.8	-35.3	0	0	0	113.9	I223 G228 V233 H259	I223-P230 HydrophobicContact CG2-CB 4.25Å; G228-P230 WeakPolarHBondContact O-CD 3.39Å; P230-V233 WeakPolarHBondContact O-CG2 3.36Å; P230-H259 PolarHBondContact O-CE1 2.99Å; P230-H259 VanDerWaalsContact O-CE1 3.3Å
231	Q	97.1	Very high	97.2	Very high	113 Å²	113	27 Å²	27	53%	0.528	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	1.3	174.8	-58.7	-61.3	-43.8	0	0	113.2	D229 H259	D229-Q231 PolarHBondContact O-N 3.47Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.44Å; D229-Q231 PolarHBondContact OD1-N 2.87Å; Q231-H259 PolarHBondContact O-CD2 3.05Å; Q231-H259 PolarHBondContact O-NE2 2.96Å
232	R	97.6	Very high	97.3	Very high	62 Å²	62	22.2 Å²	22.2	23%	0.234	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	54.4	178	-67.3	-173	-69.2	154.6	5.5	111.5	S147 P149 I150 D229	S147-R232 PolarHBondContact O-NH2 2.59Å; P149-R232 HydrophobicContact CB-CB 4.35Å; I150-R232 PolarHBondContact N-O 3.17Å; D229-R232 HydrophobicContact CB-CB 4.24Å; D229-R232 PolarHBondContact O-N 3.26Å; D229-R232 IonicContact OD2-CZ 2.7Å; D229-R232 IonicContact OD2-NE 3.75Å; D229-R232 PolarHBondContact OD2-NE 3.41Å; D229-R232 IonicContact OD2-NH2 3.87Å; D229-R232 PolarHBondContact OD2-NH2 3.22Å
233	V	98.7	Very high	97.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.8	176.1	-174.4	0	0	0	0	110.9	I150 V152 L216 P230 L257 H259 R260	I150-V233 HydrophobicContact CD1-CG2 4.01Å; V152-V233 HydrophobicContact CG2-CG1 3.63Å; L216-V233 HydrophobicContact CD2-CG1 4.31Å; P230-V233 WeakPolarHBondContact O-CG2 3.36Å; V233-L257 WeakPolarHBondContact CB-O 3.2Å; V233-H259 PolarHBondContact N-ND1 3.22Å; V233-H259 PolarHBondContact O-N 3.44Å; V233-R260 PolarHBondContact O-N 3.38Å
234	T	98.9	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.9	172.2	-56.4	0	0	0	0	108.8	I150 I151 V152 R260 I262 F551 A552	I150-T234 PolarHBondContact O-N 2.83Å; I151-T234 CarbonylContact C-O 3.47Å; I151-T234 WeakPolarHBondContact CA-O 3.37Å; V152-T234 PolarHBondContact N-O 3.43Å; T234-R260 WeakPolarHBondContact CA-O 3.49Å; T234-R260 HydrophobicContact CG2-CB 3.89Å; T234-I262 HydrophobicContact CG2-CD1 3.72Å; T234-I262 HydrophobicContact CG2-CG1 3.81Å; T234-F551 HydrophobicContact CG2-CD1 4.48Å; T234-A552 HydrophobicContact CG2-CB 4.33Å; T234-A552 WeakPolarHBondContact OG1-CA 3.14Å
235	V	98.8	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.4	174.4	-178.9	0	0	0	0	108.5	V152 I154 L216 A245 L258 R260 V261 I262	V152-V235 HydrophobicContact CB-CG2 4.38Å; I154-V235 HydrophobicContact CD1-CG1 3.49Å; I154-V235 VanDerWaalsContact CD1-CG1 3.49Å; I154-V235 HydrophobicContact CG1-CG1 3.99Å; L216-V235 HydrophobicContact CD2-CG2 3.89Å; V235-A245 HydrophobicContact CB-CB 4.5Å; V235-A245 HydrophobicContact CG1-CB 3.63Å; V235-L258 HydrophobicContact CB-CD1 4.04Å; V235-L258 HydrophobicContact CG2-CB 3.77Å; V235-L258 HydrophobicContact CG2-CD1 3.62Å; V235-L258 HydrophobicContact CG2-CG 4.34Å; V235-R260 PolarHBondContact N-O 2.8Å; V235-V261 CarbonylContact O-C 3.56Å; V235-V261 VanDerWaalsContact O-CA 3.27Å; V235-V261 WeakPolarHBondContact O-CA 3.45Å; V235-I262 PolarHBondContact O-N 3.02Å
236	M	98.8	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.8	-178	-176.5	171.7	81.7	0	0	108.9	I151 V152 W153 I154 F176 F183 I262 L264 F519 L548	I151-M236 HydrophobicContact CG2-CB 3.84Å; I151-M236 HydrophobicContact CG2-CE 3.82Å; I151-M236 HydrophobicContact CG2-SD 4.17Å; V152-M236 PolarHBondContact O-N 3.24Å; V152-M236 VanDerWaalsContact O-O 3.11Å; W153-M236 CarbonylContact C-O 3.55Å; W153-M236 VanDerWaalsContact CA-O 3.28Å; W153-M236 WeakPolarHBondContact CA-O 3.37Å; W153-M236 HydrophobicContact CD2-CE 4.4Å; W153-M236 HydrophobicContact CE3-CB 4.15Å; W153-M236 HydrophobicContact CE3-CE 3.37Å; W153-M236 HydrophobicContact CE3-CG 3.77Å; W153-M236 HydrophobicContact CE3-SD 4.39Å; W153-M236 HydrophobicContact CZ3-CE 3.65Å; W153-M236 HydrophobicContact CZ3-CG 3.75Å; W153-M236 HydrophobicContact CZ3-SD 4.36Å; I154-M236 PolarHBondContact N-O 2.72Å; F176-M236 HydrophobicContact CE1-CE 3.9Å; F176-M236 HydrophobicContact CE1-SD 4.5Å; F176-M236 HydrophobicContact CZ-CE 3.76Å; F183-M236 HydrophobicContact CE2-CE 3.9Å; F183-M236 HydrophobicContact CZ-CE 4.35Å; M236-I262 WeakPolarHBondContact CA-O 3.44Å; M236-I262 HydrophobicContact CB-CB 3.96Å; M236-I262 HydrophobicContact CB-CD1 4.48Å; M236-I262 HydrophobicContact CB-CG2 4.44Å; M236-I262 HydrophobicContact CG-CB 3.7Å; M236-I262 HydrophobicContact CG-CD1 4.38Å; M236-I262 HydrophobicContact CG-CG2 3.63Å; M236-I262 HydrophobicContact SD-CB 4.3Å; M236-I262 HydrophobicContact SD-CD1 4.01Å; M236-I262 HydrophobicContact SD-CG2 3.92Å; M236-L264 HydrophobicContact CG-CD1 4.47Å; M236-F519 HydrophobicContact CE-CZ 4.13Å; M236-L548 HydrophobicContact SD-CD1 4.12Å
237	G	98.3	Very high	97.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	168.1	175	0	0	0	0	0	111.9	I154 A242 I262 L264	I154-G237 VanDerWaalsContact O-CA 3.29Å; I154-G237 WeakPolarHBondContact O-CA 3.29Å; G237-A242 WeakPolarHBondContact O-CB 3.49Å; G237-I262 PolarHBondContact N-O 3.11Å; G237-I262 VanDerWaalsContact N-O 3.13Å; G237-L264 WeakPolarHBondContact O-CB 3.28Å; G237-L264 PolarHBondContact O-N 3.07Å
238	H	96.2	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.2	173.9	178.3	-84.9	0	0	0	111.6	W153 S240 G241 A242 L264 S386 H511 G512 D514 L515	W153-H238 HydrophobicContact CH2-CB 3.66Å; W153-H238 HydrophobicContact CZ2-CB 4.25Å; H238-S240 PolarHBondContact O-N 2.93Å; H238-G241 WeakPolarHBondContact O-CA 3.47Å; H238-G241 PolarHBondContact O-N 3.1Å; H238-A242 PolarHBondContact O-N 2.76Å; H238-L264 CarbonylContact C-O 3.34Å; H238-L264 WeakPolarHBondContact CA-O 3.25Å; H238-L264 HydrophobicContact CB-CB 4.12Å; H238-L264 PolarHBondContact CD2-O 2.79Å; H238-S386 PolarHBondContact CE1-O 2.66Å; H238-S386 PolarHBondContact ND1-O 2.9Å; H238-H511 AromaticContact CE1-CD2 3.77Å; H238-H511 AromaticContact CE1-CE1 3.28Å; H238-H511 PolarHBondContact CE1-CE1 2.84Å; H238-H511 AromaticContact CE1-ND1 3.91Å; H238-H511 AromaticContact CE1-NE2 3.19Å; H238-H511 PolarHBondContact CE1-NE2 2.83Å; H238-H511 AromaticContact ND1-NE2 3.93Å; H238-H511 AromaticContact NE2-CE1 3.66Å; H238-H511 AromaticContact NE2-NE2 4Å; H238-G512 WeakPolarHBondContact NE2-CA 3.34Å; H238-G512 PolarHBondContact NE2-N 2.89Å; H238-D514 IonicContact CD2-OD1 3.6Å; H238-D514 IonicContact NE2-OD1 3.36Å; H238-L515 HydrophobicContact CB-CD1 3.98Å; H238-L515 HydrophobicContact CB-CD2 3.79Å; H238-L515 HydrophobicContact CB-CG 4.27Å
239	G	94.9	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-124.6	177.3	0	0	0	0	0	112.1	G241 A242 A243 L264 E389	G239-G241 PolarHBondContact O-N 2.81Å; G239-A242 CarbonylContact O-C 3.01Å; G239-A242 WeakPolarHBondContact O-CA 3.34Å; G239-A242 VanDerWaalsContact O-CB 3.31Å; G239-A242 WeakPolarHBondContact O-CB 3.07Å; G239-A242 PolarHBondContact O-N 2.96Å; G239-A243 PolarHBondContact O-N 2.83Å; G239-L264 PolarHBondContact N-O 2.84Å; G239-E389 WeakPolarHBondContact CA-OE2 3.15Å
240	S	95.5	Very high	97.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.9	-25.7	172.1	59.5	0	0	0	0	114.2	G156 G157 D158 F159 H238 A243 S244 E389	G156-S240 VanDerWaalsContact CA-OG 3.3Å; G156-S240 WeakPolarHBondContact CA-OG 3.15Å; G157-S240 PolarHBondContact N-OG 3.48Å; D158-S240 PolarHBondContact N-OG 3.11Å; F159-S240 PolarHBondContact N-OG 2.89Å; H238-S240 PolarHBondContact O-N 2.93Å; S240-A243 WeakPolarHBondContact O-CB 3.08Å; S240-A243 PolarHBondContact O-N 2.94Å; S240-S244 WeakPolarHBondContact O-CB 3.41Å; S240-S244 PolarHBondContact O-N 2.81Å; S240-S244 PolarHBondContact O-OG 3.35Å; S240-S244 VanDerWaalsContact O-OG 3.04Å; S240-E389 WeakPolarHBondContact CB-OE1 3.27Å; S240-E389 VanDerWaalsContact N-CD 3.32Å; S240-E389 PolarHBondContact N-OE1 3.04Å; S240-E389 PolarHBondContact N-OE2 2.96Å; S240-E389 PolarHBondContact OG-OE1 3Å
241	G	97.7	Very high	97.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-70.5	-34	169.6	0	0	0	0	0	112.5	H155 H238 G239 S244 A245	H155-G241 WeakPolarHBondContact O-CA 3.5Å; H238-G241 WeakPolarHBondContact O-CA 3.47Å; H238-G241 PolarHBondContact O-N 3.1Å; G239-G241 PolarHBondContact O-N 2.81Å; G241-S244 WeakPolarHBondContact O-CB 3.03Å; G241-A245 WeakPolarHBondContact O-CB 3.41Å; G241-A245 PolarHBondContact O-N 3.22Å
242	A	98.3	Very high	97.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-71.6	-38.1	170.5	0	0	0	0	0	111	G237 H238 G239 S244 A245 S246 L263 G266	G237-A242 WeakPolarHBondContact O-CB 3.49Å; H238-A242 PolarHBondContact O-N 2.76Å; G239-A242 CarbonylContact O-C 3.01Å; G239-A242 WeakPolarHBondContact O-CA 3.34Å; G239-A242 VanDerWaalsContact O-CB 3.31Å; G239-A242 WeakPolarHBondContact O-CB 3.07Å; G239-A242 PolarHBondContact O-N 2.96Å; A242-S244 PolarHBondContact O-N 3.01Å; A242-A245 PolarHBondContact O-N 3.12Å; A242-S246 PolarHBondContact O-N 2.7Å; A242-S246 PolarHBondContact O-OG 2.76Å; A242-L263 HydrophobicContact CB-CB 4.29Å; A242-L263 HydrophobicContact CB-CD2 4.04Å; A242-L263 WeakPolarHBondContact O-CD2 3.29Å; A242-G266 WeakPolarHBondContact CB-O 3.3Å
243	A	98	Very high	97.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-57.3	-49.8	171.1	0	0	0	0	0	111.4	F159 G239 S240 A245 S246 L247 S267 M273	F159-A243 HydrophobicContact CZ-CB 4.08Å; G239-A243 PolarHBondContact O-N 2.83Å; S240-A243 WeakPolarHBondContact O-CB 3.08Å; S240-A243 PolarHBondContact O-N 2.94Å; A243-A245 PolarHBondContact O-N 3.31Å; A243-S246 PolarHBondContact O-N 3.44Å; A243-S246 PolarHBondContact O-OG 2.95Å; A243-L247 WeakPolarHBondContact O-CG 3.46Å; A243-L247 PolarHBondContact O-N 2.9Å; A243-S267 VanDerWaalsContact CA-C 3.46Å; A243-S267 WeakPolarHBondContact CB-O 3.37Å; A243-M273 HydrophobicContact CB-CB 3.95Å; A243-M273 HydrophobicContact CB-CG 3.88Å; A243-M273 HydrophobicContact CB-SD 3.84Å
244	S	98.5	Very high	97.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-51.2	-53.5	170.5	-69.2	0	0	0	0	112.3	F159 Q212 S240 G241 A242 S246 L247 L248	F159-S244 VanDerWaalsContact CE1-OG 3.31Å; F159-S244 WeakPolarHBondContact CE1-OG 3.47Å; Q212-S244 PolarHBondContact NE2-OG 3.09Å; Q212-S244 VanDerWaalsContact NE2-OG 3.11Å; Q212-S244 VanDerWaalsContact OE1-CB 3.27Å; S240-S244 WeakPolarHBondContact O-CB 3.41Å; S240-S244 PolarHBondContact O-N 2.81Å; S240-S244 PolarHBondContact O-OG 3.35Å; S240-S244 VanDerWaalsContact O-OG 3.04Å; G241-S244 WeakPolarHBondContact O-CB 3.03Å; A242-S244 PolarHBondContact O-N 3.01Å; S244-S246 VanDerWaalsContact C-N 3.28Å; S244-S246 PolarHBondContact O-N 2.56Å; S244-L247 PolarHBondContact O-N 3.48Å; S244-L247 VanDerWaalsContact O-N 3.13Å; S244-L248 WeakPolarHBondContact O-CB 3.44Å; S244-L248 VanDerWaalsContact O-CG 3.3Å; S244-L248 WeakPolarHBondContact O-CG 3.49Å; S244-L248 PolarHBondContact O-N 2.87Å
245	A	98.5	Very high	97	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.3	-40.3	-179.9	0	0	0	0	0	112.7	I154 V235 G241 A242 A243 A249 V261 L263	I154-A245 HydrophobicContact CD1-CB 4.33Å; V235-A245 HydrophobicContact CB-CB 4.5Å; V235-A245 HydrophobicContact CG1-CB 3.63Å; G241-A245 WeakPolarHBondContact O-CB 3.41Å; G241-A245 PolarHBondContact O-N 3.22Å; A242-A245 PolarHBondContact O-N 3.12Å; A243-A245 PolarHBondContact O-N 3.31Å; A245-A249 WeakPolarHBondContact O-CB 3.19Å; A245-A249 PolarHBondContact O-N 2.76Å; A245-V261 HydrophobicContact CB-CG1 3.88Å; A245-L263 HydrophobicContact CB-CD2 3.81Å
246	S	97.6	Very high	96.8	Very high	1 Å²	1	15 Å²	15	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-69.9	-39.6	176.4	69.5	0	0	0	0	112.9	A242 A243 S244 A249 M250 A268	A242-S246 PolarHBondContact O-N 2.7Å; A242-S246 PolarHBondContact O-OG 2.76Å; A243-S246 PolarHBondContact O-N 3.44Å; A243-S246 PolarHBondContact O-OG 2.95Å; S244-S246 VanDerWaalsContact C-N 3.28Å; S244-S246 PolarHBondContact O-N 2.56Å; S246-A249 VanDerWaalsContact O-CB 3.27Å; S246-A249 WeakPolarHBondContact O-CB 3.42Å; S246-A249 PolarHBondContact O-N 2.99Å; S246-M250 VanDerWaalsContact C-CE 3.5Å; S246-M250 WeakPolarHBondContact O-CE 3.39Å; S246-M250 PolarHBondContact O-N 3.47Å; S246-A268 WeakPolarHBondContact OG-CB 3.2Å; S246-A268 PolarHBondContact OG-N 2.93Å
247	L	97.6	Very high	96.7	Very high	3 Å²	3	16 Å²	16	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-46	173.8	-69.9	168.5	0	0	0	110.9	L209 A243 S244 A249 M250 S251 A268 P329 I338 P342	L209-L247 HydrophobicContact CD1-CD1 4.18Å; A243-L247 WeakPolarHBondContact O-CG 3.46Å; A243-L247 PolarHBondContact O-N 2.9Å; S244-L247 PolarHBondContact O-N 3.48Å; S244-L247 VanDerWaalsContact O-N 3.13Å; L247-A249 VanDerWaalsContact C-N 3.25Å; L247-A249 PolarHBondContact O-N 3.3Å; L247-M250 PolarHBondContact O-N 2.85Å; L247-M250 VanDerWaalsContact O-N 3.1Å; L247-S251 PolarHBondContact O-N 3.3Å; L247-A268 HydrophobicContact CD2-CB 3.59Å; L247-A268 HydrophobicContact CG-CB 3.81Å; L247-P329 HydrophobicContact CD1-CB 3.96Å; L247-P329 HydrophobicContact CD1-CG 3.93Å; L247-I338 HydrophobicContact CD1-CD1 3.88Å; L247-I338 HydrophobicContact CD2-CD1 3.78Å; L247-I338 HydrophobicContact CD2-CG1 4.22Å; L247-I338 HydrophobicContact CD2-CG2 4.46Å; L247-I338 HydrophobicContact CG-CD1 4.28Å; L247-P342 HydrophobicContact CD2-CG 4.16Å
248	L	97.8	Very high	96.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-34.3	174.4	-66.8	177.4	0	0	0	111.9	I154 Q212 I213 L216 S244 M250 S251 T254 R352	I154-L248 HydrophobicContact CD1-CD1 3.65Å; Q212-L248 HydrophobicContact CB-CD1 3.93Å; Q212-L248 HydrophobicContact CB-CD2 4.42Å; I213-L248 HydrophobicContact CD1-CD2 4.26Å; I213-L248 HydrophobicContact CG1-CD2 3.6Å; L216-L248 HydrophobicContact CD1-CD1 4.18Å; S244-L248 WeakPolarHBondContact O-CB 3.44Å; S244-L248 VanDerWaalsContact O-CG 3.3Å; S244-L248 WeakPolarHBondContact O-CG 3.49Å; S244-L248 PolarHBondContact O-N 2.87Å; L248-M250 VanDerWaalsContact C-N 3.26Å; L248-M250 PolarHBondContact O-N 3.4Å; L248-S251 PolarHBondContact O-N 3.19Å; L248-T254 HydrophobicContact CB-CG2 4.26Å; L248-T254 HydrophobicContact CD2-CG2 3.95Å; L248-T254 PolarHBondContact O-OG1 3.32Å; L248-R352 PolarHBondContact O-NH2 3.25Å
249	A	96.7	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-35.1	175.8	0	0	0	0	0	112.6	A245 S246 L247 V261 R352 L354	A245-A249 WeakPolarHBondContact O-CB 3.19Å; A245-A249 PolarHBondContact O-N 2.76Å; S246-A249 VanDerWaalsContact O-CB 3.27Å; S246-A249 WeakPolarHBondContact O-CB 3.42Å; S246-A249 PolarHBondContact O-N 2.99Å; L247-A249 VanDerWaalsContact C-N 3.25Å; L247-A249 PolarHBondContact O-N 3.3Å; A249-V261 HydrophobicContact CB-CG2 3.7Å; A249-R352 PolarHBondContact O-NH2 3.11Å; A249-L354 HydrophobicContact CB-CD1 4.24Å
250	M	95.5	Very high	96.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-88.6	-24.7	-178.7	-65.7	178.5	-84.4	0	0	112.9	S246 L247 L248 A268 P342 M345 L346 A351	S246-M250 VanDerWaalsContact C-CE 3.5Å; S246-M250 WeakPolarHBondContact O-CE 3.39Å; S246-M250 PolarHBondContact O-N 3.47Å; L247-M250 PolarHBondContact O-N 2.85Å; L247-M250 VanDerWaalsContact O-N 3.1Å; L248-M250 VanDerWaalsContact C-N 3.26Å; L248-M250 PolarHBondContact O-N 3.4Å; M250-A268 HydrophobicContact CE-CB 3.89Å; M250-P342 HydrophobicContact CE-CB 3.87Å; M250-P342 HydrophobicContact CE-CG 4.32Å; M250-P342 HydrophobicContact SD-CB 3.89Å; M250-M345 HydrophobicContact CB-CE 3.77Å; M250-M345 HydrophobicContact CB-SD 4.24Å; M250-M345 WeakPolarHBondContact O-CE 3.36Å; M250-L346 HydrophobicContact CG-CD2 4.32Å; M250-L346 HydrophobicContact CG-CG 4.42Å; M250-L346 HydrophobicContact SD-CD1 3.73Å; M250-L346 HydrophobicContact SD-CD2 4.22Å; M250-L346 HydrophobicContact SD-CG 3.75Å; M250-A351 HydrophobicContact CB-CB 4.32Å; M250-A351 HydrophobicContact CG-CB 4.02Å
251	S	95.8	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.			trans	-63.6	136.3	-176.8	-171.7	0	0	0	0	113.3	L247 L248 H253 T254 V337 R352	L247-S251 PolarHBondContact O-N 3.3Å; L248-S251 PolarHBondContact O-N 3.19Å; S251-H253 VanDerWaalsContact C-N 3.27Å; S251-H253 PolarHBondContact O-N 3.25Å; S251-H253 PolarHBondContact OG-N 2.72Å; S251-T254 PolarHBondContact O-OG1 3.47Å; S251-V337 VanDerWaalsContact CB-O 3.25Å; S251-V337 WeakPolarHBondContact CB-O 3.46Å; S251-V337 PolarHBondContact OG-O 2.85Å; S251-R352 PolarHBondContact O-NH1 2.98Å; S251-R352 PolarHBondContact O-NH2 2.99Å
252	P	94.4	Very high	97.1	Very high	58 Å²	58	20.1 Å²	20.1	38%	0.377	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-62	-32	172.1	-23.8	34.7	0	0	0	113.5	T254 E255 P339	P252-T254 PolarHBondContact O-N 2.85Å; P252-T254 VanDerWaalsContact O-N 3.09Å; P252-E255 WeakPolarHBondContact O-CB 3.49Å; P252-E255 PolarHBondContact O-N 2.77Å; P252-P339 HydrophobicContact CG-CG 3.99Å
253	H	95.9	Very high	97.1	Very high	59 Å²	59	20.2 Å²	20.2	27%	0.273	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-69.7	-8.9	-173.8	-70	-71	0	0	0	115.2	W210 I213 S251 G335 G336	W210-H253 HydrophobicContact CH2-CB 4.48Å; W210-H253 AromaticContact CH2-CD2 3.64Å; W210-H253 AromaticContact CH2-CE1 3.57Å; W210-H253 AromaticContact CH2-CG 3.67Å; W210-H253 AromaticContact CH2-ND1 3.65Å; W210-H253 AromaticContact CH2-NE2 3.55Å; W210-H253 HydrophobicContact CZ3-CB 4.3Å; W210-H253 AromaticContact CZ3-CG 3.94Å; I213-H253 HydrophobicContact CD1-CB 3.93Å; I213-H253 HydrophobicContact CG2-CB 4.47Å; S251-H253 VanDerWaalsContact C-N 3.27Å; S251-H253 PolarHBondContact O-N 3.25Å; S251-H253 PolarHBondContact OG-N 2.72Å; H253-G335 PolarHBondContact NE2-O 3.38Å; H253-G336 PolarHBondContact CD2-O 3.37Å; H253-G336 PolarHBondContact NE2-O 3.29Å; H253-G336 VanDerWaalsContact NE2-O 3.09Å
254	T	96.9	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-108.2	12.5	-179.3	55.2	0	0	0	0	113.1	I213 L216 L248 S251 P252 G256 L257 L258 R352	I213-T254 HydrophobicContact CD1-CG2 4.45Å; I213-T254 HydrophobicContact CG1-CG2 3.8Å; L216-T254 HydrophobicContact CD1-CG2 4.09Å; L248-T254 HydrophobicContact CB-CG2 4.26Å; L248-T254 HydrophobicContact CD2-CG2 3.95Å; L248-T254 PolarHBondContact O-OG1 3.32Å; S251-T254 PolarHBondContact O-OG1 3.47Å; P252-T254 PolarHBondContact O-N 2.85Å; P252-T254 VanDerWaalsContact O-N 3.09Å; T254-G256 PolarHBondContact O-N 2.8Å; T254-L257 WeakPolarHBondContact O-CB 3.41Å; T254-L257 PolarHBondContact O-N 3.47Å; T254-L258 VanDerWaalsContact CB-CD2 3.49Å; T254-L258 HydrophobicContact CG2-CD2 4.37Å; T254-L258 WeakPolarHBondContact O-CD2 3.28Å; T254-R352 PolarHBondContact OG1-NH2 3.01Å
255	E	94.2	Very high	97.1	Very high	149 Å²	149	20.2 Å²	20.2	70%	0.696	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	127.7	176.2	-171.8	172.4	-174.6	0	0	110.9	P252 L257	P252-E255 WeakPolarHBondContact O-CB 3.49Å; P252-E255 PolarHBondContact O-N 2.77Å; E255-L257 PolarHBondContact O-N 3.05Å
256	G	95.1	Very high	96.9	Very high	40 Å²	40	20.5 Å²	20.5	41%	0.412	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	-0.3	-175.9	0	0	0	0	0	115.6	T254	T254-G256 PolarHBondContact O-N 2.8Å
257	L	97.9	Very high	96.9	Very high	23 Å²	23	20.5 Å²	20.5	12%	0.12	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-29.2	-178.7	-58.3	-173.6	0	0	0	113.9	L216 R217 H220 V233 T254 E255	L216-L257 HydrophobicContact CB-CB 4.2Å; L216-L257 HydrophobicContact CB-CD1 4.08Å; R217-L257 HydrophobicContact CG-CD1 3.62Å; R217-L257 HydrophobicContact CG-CD2 4.49Å; H220-L257 HydrophobicContact CB-CD2 4.16Å; V233-L257 WeakPolarHBondContact CB-O 3.2Å; T254-L257 WeakPolarHBondContact O-CB 3.41Å; T254-L257 PolarHBondContact O-N 3.47Å; E255-L257 PolarHBondContact O-N 3.05Å
258	L	97.3	Very high	96.8	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	11%	0.114	C	C	.	.			trans	-133.2	150	175.9	75.2	165.4	0	0	0	111.9	V235 T254 V261 L354	V235-L258 HydrophobicContact CB-CD1 4.04Å; V235-L258 HydrophobicContact CG2-CB 3.77Å; V235-L258 HydrophobicContact CG2-CD1 3.62Å; V235-L258 HydrophobicContact CG2-CG 4.34Å; T254-L258 VanDerWaalsContact CB-CD2 3.49Å; T254-L258 HydrophobicContact CG2-CD2 4.37Å; T254-L258 WeakPolarHBondContact O-CD2 3.28Å; L258-V261 HydrophobicContact CD1-CG2 3.98Å; L258-L354 HydrophobicContact CD1-CD1 4.38Å; L258-L354 HydrophobicContact CG-CD1 4.06Å
259	H	97.9	Very high	96.7	Very high	44 Å²	44	20.9 Å²	20.9	20%	0.204	12%	0.115	C	C	.	.	S	Bend	trans	-124	-21.3	-169.3	-58.5	78.4	0	0	0	112.8	P230 Q231 V233 P355	P230-H259 PolarHBondContact O-CE1 2.99Å; P230-H259 VanDerWaalsContact O-CE1 3.3Å; Q231-H259 PolarHBondContact O-CD2 3.05Å; Q231-H259 PolarHBondContact O-NE2 2.96Å; V233-H259 PolarHBondContact N-ND1 3.22Å; V233-H259 PolarHBondContact O-N 3.44Å; H259-P355 WeakPolarHBondContact O-CD 3.38Å
260	R	98.2	Very high	96.5	Very high	37 Å²	37	21.1 Å²	21.1	14%	0.14	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.6	178.3	-59	-176.1	-174.3	85.2	4.7	110.6	V233 T234 V235 P355 F551 A552 G555	V233-R260 PolarHBondContact O-N 3.38Å; T234-R260 WeakPolarHBondContact CA-O 3.49Å; T234-R260 HydrophobicContact CG2-CB 3.89Å; V235-R260 PolarHBondContact N-O 2.8Å; R260-P355 WeakPolarHBondContact CA-O 3.49Å; R260-P355 HydrophobicContact CG-CB 4.21Å; R260-P355 HydrophobicContact CG-CG 4.26Å; R260-F551 HydrophobicContact CB-CE1 3.85Å; R260-F551 HydrophobicContact CB-CZ 4.24Å; R260-F551 WeakPolarHBondContact CD-O 3.48Å; R260-F551 PolarHBondContact NE-O 3.26Å; R260-A552 PolarHBondContact NH1-O 3.3Å; R260-G555 VanDerWaalsContact NE-N 3.18Å
261	V	98.5	Very high	96.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.2	179.5	-166	0	0	0	0	111.4	V235 A245 A249 L258 L263 L354 P355 I356 L357 F551	V235-V261 CarbonylContact O-C 3.56Å; V235-V261 VanDerWaalsContact O-CA 3.27Å; V235-V261 WeakPolarHBondContact O-CA 3.45Å; A245-V261 HydrophobicContact CB-CG1 3.88Å; A249-V261 HydrophobicContact CB-CG2 3.7Å; L258-V261 HydrophobicContact CD1-CG2 3.98Å; V261-L263 HydrophobicContact CG1-CD1 4.48Å; V261-L263 HydrophobicContact CG1-CD2 3.44Å; V261-L263 VanDerWaalsContact CG1-CD2 3.44Å; V261-L263 HydrophobicContact CG1-CG 3.83Å; V261-L354 HydrophobicContact CG2-CD1 4.48Å; V261-P355 PolarHBondContact N-O 3Å; V261-P355 VanDerWaalsContact N-O 3.09Å; V261-I356 HydrophobicContact CB-CG2 4.21Å; V261-I356 WeakPolarHBondContact O-CA 3.15Å; V261-L357 PolarHBondContact O-N 3.45Å; V261-F551 WeakPolarHBondContact O-CE1 3.38Å
262	I	98.8	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.4	172.8	-63	170	0	0	0	107.9	T234 V235 M236 G237 L264 L357 L548 F551	T234-I262 HydrophobicContact CG2-CD1 3.72Å; T234-I262 HydrophobicContact CG2-CG1 3.81Å; V235-I262 PolarHBondContact O-N 3.02Å; M236-I262 WeakPolarHBondContact CA-O 3.44Å; M236-I262 HydrophobicContact CB-CB 3.96Å; M236-I262 HydrophobicContact CB-CD1 4.48Å; M236-I262 HydrophobicContact CB-CG2 4.44Å; M236-I262 HydrophobicContact CG-CB 3.7Å; M236-I262 HydrophobicContact CG-CD1 4.38Å; M236-I262 HydrophobicContact CG-CG2 3.63Å; M236-I262 HydrophobicContact SD-CB 4.3Å; M236-I262 HydrophobicContact SD-CD1 4.01Å; M236-I262 HydrophobicContact SD-CG2 3.92Å; G237-I262 PolarHBondContact N-O 3.11Å; G237-I262 VanDerWaalsContact N-O 3.13Å; I262-L264 HydrophobicContact CG2-CD2 3.67Å; I262-L264 HydrophobicContact CG2-CG 4.15Å; I262-L357 CarbonylContact C-O 3.6Å; I262-L357 WeakPolarHBondContact CA-O 3.43Å; I262-L357 HydrophobicContact CG1-CB 4.3Å; I262-L357 HydrophobicContact CG2-CD2 4.3Å; I262-L548 HydrophobicContact CD1-CB 4.29Å; I262-L548 HydrophobicContact CD1-CD2 4.26Å; I262-L548 HydrophobicContact CG2-CD2 3.89Å; I262-F551 HydrophobicContact CD1-CD1 3.92Å; I262-F551 HydrophobicContact CG1-CD1 3.57Å; I262-F551 HydrophobicContact CG1-CE1 3.8Å
263	L	98.6	Very high	95.8	Very high	2 Å²	2	19 Å²	19	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	100.7	-172.5	-59.1	-179.9	0	0	0	109.5	A242 A245 V261 L357 V358 G359 L476	A242-L263 HydrophobicContact CB-CB 4.29Å; A242-L263 HydrophobicContact CB-CD2 4.04Å; A242-L263 WeakPolarHBondContact O-CD2 3.29Å; A245-L263 HydrophobicContact CB-CD2 3.81Å; V261-L263 HydrophobicContact CG1-CD1 4.48Å; V261-L263 HydrophobicContact CG1-CD2 3.44Å; V261-L263 VanDerWaalsContact CG1-CD2 3.44Å; V261-L263 HydrophobicContact CG1-CG 3.83Å; L263-L357 PolarHBondContact N-O 3.01Å; L263-V358 HydrophobicContact CB-CB 4.13Å; L263-V358 HydrophobicContact CB-CG2 4.02Å; L263-V358 HydrophobicContact CD1-CB 4.48Å; L263-V358 HydrophobicContact CD1-CG2 4.47Å; L263-V358 WeakPolarHBondContact O-CA 3.36Å; L263-G359 PolarHBondContact O-N 2.81Å; L263-G359 VanDerWaalsContact O-N 3.12Å; L263-L476 HydrophobicContact CD1-CD2 3.28Å
264	L	97.9	Very high	95.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.2	-179.7	-48.8	179.2	0	0	0	109	W153 M236 G237 H238 G239 I262 G266 Y490 L515 L518 F544	W153-L264 HydrophobicContact CH2-CD1 4.23Å; W153-L264 HydrophobicContact CZ3-CD1 3.99Å; M236-L264 HydrophobicContact CG-CD1 4.47Å; G237-L264 WeakPolarHBondContact O-CB 3.28Å; G237-L264 PolarHBondContact O-N 3.07Å; H238-L264 CarbonylContact C-O 3.34Å; H238-L264 WeakPolarHBondContact CA-O 3.25Å; H238-L264 HydrophobicContact CB-CB 4.12Å; H238-L264 PolarHBondContact CD2-O 2.79Å; G239-L264 PolarHBondContact N-O 2.84Å; I262-L264 HydrophobicContact CG2-CD2 3.67Å; I262-L264 HydrophobicContact CG2-CG 4.15Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 3.03Å; L264-G266 VanDerWaalsContact O-N 3.11Å; L264-Y490 HydrophobicContact CD2-CE1 4.04Å; L264-Y490 WeakPolarHBondContact CD2-OH 3.36Å; L264-L515 HydrophobicContact CD1-CD2 4.22Å; L264-L518 HydrophobicContact CD1-CD1 3.76Å; L264-F544 HydrophobicContact CD2-CZ 4.1Å
265	S	96.8	Very high	95.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	54	37.3	171.8	-49.1	0	0	0	0	114	G359 E364 Y469 H511	S265-G359 WeakPolarHBondContact CA-O 3.36Å; S265-G359 PolarHBondContact N-O 3.17Å; S265-E364 WeakPolarHBondContact CB-OE1 3.4Å; S265-E364 PolarHBondContact OG-OE1 2.77Å; S265-E364 VanDerWaalsContact OG-OE1 3.13Å; S265-Y469 VanDerWaalsContact O-CD1 3.25Å; S265-Y469 WeakPolarHBondContact O-CD1 3.23Å; S265-Y469 WeakPolarHBondContact O-CE1 3.42Å; S265-H511 PolarHBondContact O-CE1 2.82Å; S265-H511 VanDerWaalsContact O-CE1 3.32Å
266	G	96.3	Very high	94.9	Very high	5 Å²	5	13.5 Å²	13.5	5%	0.052	8%	0.083	C	C	.	.			trans	179.1	158	-179.4	0	0	0	0	0	114.4	A242 L264	A242-G266 WeakPolarHBondContact CB-O 3.3Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 3.03Å; L264-G266 VanDerWaalsContact O-N 3.11Å
267	S	96.8	Very high	94.4	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.007	7%	0.069	C	C	.	.			trans	-169.3	172.1	177.1	72.3	0	0	0	0	110.3	A243 F269 N270	A243-S267 VanDerWaalsContact CA-C 3.46Å; A243-S267 WeakPolarHBondContact CB-O 3.37Å; S267-F269 PolarHBondContact O-N 3.16Å; S267-F269 VanDerWaalsContact O-N 3.14Å; S267-F269 PolarHBondContact OG-N 2.89Å; S267-F269 VanDerWaalsContact OG-N 3.17Å; S267-N270 WeakPolarHBondContact CA-OD1 3.47Å; S267-N270 PolarHBondContact N-OD1 2.83Å; S267-N270 PolarHBondContact O-N 2.98Å; S267-N270 VanDerWaalsContact O-N 3.16Å; S267-N270 PolarHBondContact O-OD1 2.86Å; S267-N270 VanDerWaalsContact O-OD1 3.1Å; S267-N270 PolarHBondContact OG-OD1 2.99Å
268	A	95.9	Very high	94	Very high	8 Å²	8	11.4 Å²	11.4	7%	0.066	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.7	172.8	0	0	0	0	0	113.3	S246 L247 M250 N270 P342	S246-A268 WeakPolarHBondContact OG-CB 3.2Å; S246-A268 PolarHBondContact OG-N 2.93Å; L247-A268 HydrophobicContact CD2-CB 3.59Å; L247-A268 HydrophobicContact CG-CB 3.81Å; M250-A268 HydrophobicContact CE-CB 3.89Å; A268-N270 VanDerWaalsContact C-N 3.34Å; A268-P342 HydrophobicContact CB-CB 4.23Å; A268-P342 HydrophobicContact CB-CG 3.74Å
269	F	94.8	Very high	93.7	Very high	5 Å²	5	13 Å²	13	2%	0.022	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-7.5	-178.9	-76.8	-132.2	0	0	0	111.9	S267 P342 E343 L346 P472 R475 L476	S267-F269 PolarHBondContact O-N 3.16Å; S267-F269 VanDerWaalsContact O-N 3.14Å; S267-F269 PolarHBondContact OG-N 2.89Å; S267-F269 VanDerWaalsContact OG-N 3.17Å; F269-P342 HydrophobicContact CD2-CB 3.97Å; F269-P342 HydrophobicContact CE2-CB 3.45Å; F269-P342 VanDerWaalsContact CE2-CB 3.45Å; F269-P342 HydrophobicContact CZ-CB 4.29Å; F269-E343 HydrophobicContact CD1-CG 4.49Å; F269-E343 HydrophobicContact CE1-CG 3.68Å; F269-E343 HydrophobicContact CZ-CG 3.8Å; F269-L346 HydrophobicContact CE2-CD1 3.71Å; F269-L346 HydrophobicContact CZ-CD1 3.58Å; F269-P472 HydrophobicContact CB-CB 4.12Å; F269-R475 HydrophobicContact CD1-CB 3.95Å; F269-R475 HydrophobicContact CD1-CG 3.6Å; F269-R475 HydrophobicContact CE1-CB 4.44Å; F269-R475 HydrophobicContact CE1-CG 3.75Å; F269-R475 PolarHBondContact O-NH2 2.83Å; F269-L476 HydrophobicContact CD1-CB 4.49Å; F269-L476 HydrophobicContact CD2-CD1 3.59Å; F269-L476 HydrophobicContact CE2-CD1 3.56Å; F269-L476 HydrophobicContact CG-CB 4.4Å; F269-L476 HydrophobicContact CG-CD1 4.23Å; F269-L476 HydrophobicContact CZ-CD1 4.18Å
270	N	93.7	Very high	93.3	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.027	9%	0.087	C	C	.	.	S	Bend	trans	-75.6	135.3	178.9	-62.7	57.9	0	0	0	109.5	S267 A268 G272 M273 L468 P472	S267-N270 WeakPolarHBondContact CA-OD1 3.47Å; S267-N270 PolarHBondContact N-OD1 2.83Å; S267-N270 PolarHBondContact O-N 2.98Å; S267-N270 VanDerWaalsContact O-N 3.16Å; S267-N270 PolarHBondContact O-OD1 2.86Å; S267-N270 VanDerWaalsContact O-OD1 3.1Å; S267-N270 PolarHBondContact OG-OD1 2.99Å; A268-N270 VanDerWaalsContact C-N 3.34Å; N270-G272 PolarHBondContact O-N 3.03Å; N270-M273 HydrophobicContact CB-CG 3.88Å; N270-M273 WeakPolarHBondContact O-CB 3.29Å; N270-M273 WeakPolarHBondContact O-CG 3.36Å; N270-M273 PolarHBondContact O-N 3.11Å; N270-L468 PolarHBondContact ND2-O 2.88Å; N270-P472 HydrophobicContact CB-CB 4.38Å; N270-P472 HydrophobicContact CB-CG 4.47Å
271	P	89.9	Confident	92.9	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.032	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	131.7	-179.8	-35.4	39.2	0	0	0	113.7	M273 Y324 R390 F467 L468	P271-M273 VanDerWaalsContact C-N 3.28Å; P271-M273 PolarHBondContact O-N 3.17Å; P271-Y324 HydrophobicContact CB-CE1 3.9Å; P271-Y324 WeakPolarHBondContact CB-OH 3.48Å; P271-Y324 WeakPolarHBondContact O-CE1 3.45Å; P271-R390 PolarHBondContact O-NH1 3.27Å; P271-R390 PolarHBondContact O-NH2 3.22Å; P271-F467 HydrophobicContact CB-CE1 4.36Å; P271-F467 HydrophobicContact CB-CZ 4.26Å; P271-F467 HydrophobicContact CG-CE1 3.99Å; P271-F467 HydrophobicContact CG-CE2 4.1Å; P271-F467 HydrophobicContact CG-CZ 3.74Å; P271-L468 HydrophobicContact CB-CD2 4.36Å; P271-L468 HydrophobicContact CG-CD2 4.39Å
272	G	88.1	Confident	92.6	Very high	7 Å²	7	13.7 Å²	13.7	7%	0.072	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	8	175.4	0	0	0	0	0	116.9	N270 L274	N270-G272 PolarHBondContact O-N 3.03Å; G272-L274 VanDerWaalsContact C-N 3.32Å
273	M	91.8	Very high	92.3	Very high	4 Å²	4	17 Å²	17	2%	0.02	9%	0.092	C	C	.	.	S	Bend	trans	-80.5	-13.3	171.2	-69.8	-67.1	172.4	0	0	113.5	F159 A243 N270 P271 P329	F159-M273 HydrophobicContact CD2-SD 4.41Å; F159-M273 HydrophobicContact CE2-CB 4.48Å; F159-M273 HydrophobicContact CE2-SD 3.56Å; F159-M273 VanDerWaalsContact CE2-SD 3.56Å; F159-M273 HydrophobicContact CZ-SD 4.28Å; A243-M273 HydrophobicContact CB-CB 3.95Å; A243-M273 HydrophobicContact CB-CG 3.88Å; A243-M273 HydrophobicContact CB-SD 3.84Å; N270-M273 HydrophobicContact CB-CG 3.88Å; N270-M273 WeakPolarHBondContact O-CB 3.29Å; N270-M273 WeakPolarHBondContact O-CG 3.36Å; N270-M273 PolarHBondContact O-N 3.11Å; P271-M273 VanDerWaalsContact C-N 3.28Å; P271-M273 PolarHBondContact O-N 3.17Å; M273-P329 WeakPolarHBondContact O-CD 3.46Å
274	L	92.1	Very high	91.8	Very high	14 Å²	14	19.6 Å²	19.6	7%	0.073	11%	0.106	C	C	.	.	S	Bend	trans	-142.5	117.9	176.9	-177.9	76.8	0	0	0	107.2	G272 P329 V331 I338 Y341 P342 Y426	G272-L274 VanDerWaalsContact C-N 3.32Å; L274-P329 CarbonylContact C-O 3.5Å; L274-P329 WeakPolarHBondContact CA-O 3.07Å; L274-P329 HydrophobicContact CD1-CB 3.97Å; L274-V331 HydrophobicContact CD1-CG2 4.27Å; L274-V331 HydrophobicContact CD2-CG2 3.78Å; L274-V331 HydrophobicContact CG-CG2 4.23Å; L274-I338 HydrophobicContact CD1-CD1 3.67Å; L274-I338 HydrophobicContact CD1-CG2 4.29Å; L274-Y341 HydrophobicContact CD2-CD1 3.92Å; L274-Y341 HydrophobicContact CD2-CE1 4.33Å; L274-P342 VanDerWaalsContact CD2-CD 3.47Å; L274-P342 HydrophobicContact CD2-CG 4.06Å; L274-Y426 PolarHBondContact O-OH 3.23Å
275	R	89.6	Confident	91.3	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.019	11%	0.106	C	C	.	.			trans	-146.8	147.6	-171.8	-56	-179.9	73	-149.6	-1.4	111.6	T277 D322 Y324 E325 D326 V328 P329 V330 Y426	R275-T277 VanDerWaalsContact C-N 3.31Å; R275-T277 WeakPolarHBondContact CB-OG1 3.43Å; R275-T277 PolarHBondContact NE-OG1 3.14Å; R275-T277 PolarHBondContact NH1-OG1 3.27Å; R275-T277 VanDerWaalsContact NH1-OG1 3.14Å; R275-D322 IonicContact CZ-OD1 3.62Å; R275-D322 IonicContact CZ-OD2 3Å; R275-D322 IonicContact NH1-OD1 2.67Å; R275-D322 IonicContact NH2-OD1 3.73Å; R275-D322 PolarHBondContact NH2-OD1 2.96Å; R275-D322 IonicContact NH2-OD2 3.89Å; R275-D322 PolarHBondContact NH2-OD2 2.98Å; R275-Y324 PolarHBondContact NH1-O 3.13Å; R275-E325 PolarHBondContact NH1-O 3.43Å; R275-D326 IonicContact NH1-OD1 2.75Å; R275-D326 PolarHBondContact NH1-OD1 3.09Å; R275-V328 HydrophobicContact CB-CG2 3.69Å; R275-V328 HydrophobicContact CG-CG2 3.63Å; R275-P329 PolarHBondContact N-O 2.71Å; R275-V330 VanDerWaalsContact O-CG1 3.23Å; R275-V330 WeakPolarHBondContact O-CG1 3.08Å; R275-Y426 HydrophobicContact CG-CE1 4.22Å
276	T	87.2	Confident	91	Very high	73 Å²	73	21.5 Å²	21.5	45%	0.448	12%	0.115	S	C	.	.	S	Bend	trans	-84	-6.8	170.2	53.1	0	0	0	0	112.9	A278 I279	T276-A278 PolarHBondContact O-N 2.7Å; T276-I279 VanDerWaalsContact O-CB 3.29Å; T276-I279 WeakPolarHBondContact O-CB 3.37Å; T276-I279 PolarHBondContact O-N 2.85Å
277	T	84.7	Confident	90.5	Very high	19 Å²	19	27 Å²	27	12%	0.117	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-28.5	-179.1	51.2	0	0	0	0	113.6	R275 I279 N280 T281 L319	R275-T277 VanDerWaalsContact C-N 3.31Å; R275-T277 WeakPolarHBondContact CB-OG1 3.43Å; R275-T277 PolarHBondContact NE-OG1 3.14Å; R275-T277 PolarHBondContact NH1-OG1 3.27Å; R275-T277 VanDerWaalsContact NH1-OG1 3.14Å; T277-I279 PolarHBondContact O-N 3.18Å; T277-I279 VanDerWaalsContact O-N 3.1Å; T277-N280 PolarHBondContact O-N 3.09Å; T277-N280 VanDerWaalsContact O-N 3.09Å; T277-T281 PolarHBondContact O-N 3.36Å; T277-T281 PolarHBondContact O-OG1 2.71Å; T277-L319 HydrophobicContact CG2-CD1 4.2Å
278	A	88.8	Confident	90.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-51.8	-34.2	171.9	0	0	0	0	0	112.1	T276 T282 D326 V330	T276-A278 PolarHBondContact O-N 2.7Å; A278-T282 WeakPolarHBondContact O-CB 3.34Å; A278-T282 PolarHBondContact O-N 3.19Å; A278-T282 PolarHBondContact O-OG1 3.17Å; A278-D326 VanDerWaalsContact CA-O 3.22Å; A278-D326 WeakPolarHBondContact CA-O 3.31Å; A278-D326 VanDerWaalsContact CB-O 3.28Å; A278-D326 WeakPolarHBondContact CB-O 3.21Å; A278-D326 PolarHBondContact N-O 3.47Å; A278-V330 HydrophobicContact CB-CG1 3.69Å
279	I	91.9	Very high	89.9	Confident	39 Å²	39	30 Å²	30	20%	0.2	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-57.6	177	-59.6	168.3	0	0	0	109.8	S197 T276 T277 T281 T282 W283	S197-I279 WeakPolarHBondContact O-CA 3.27Å; T276-I279 VanDerWaalsContact O-CB 3.29Å; T276-I279 WeakPolarHBondContact O-CB 3.37Å; T276-I279 PolarHBondContact O-N 2.85Å; T277-I279 PolarHBondContact O-N 3.18Å; T277-I279 VanDerWaalsContact O-N 3.1Å; I279-T281 PolarHBondContact O-N 3.4Å; I279-T282 PolarHBondContact O-N 3.22Å; I279-W283 PolarHBondContact O-N 3.15Å; I279-W283 VanDerWaalsContact O-N 3.11Å
280	N	88.9	Confident	89.7	Confident	95 Å²	95	32 Å²	32	51%	0.508	18%	0.177	S	C	.	.	H	α-helix	trans	-63	-44.6	-177.3	-72.1	-7.3	0	0	0	111.9	T277 T282 W283 L284 L319	T277-N280 PolarHBondContact O-N 3.09Å; T277-N280 VanDerWaalsContact O-N 3.09Å; N280-T282 VanDerWaalsContact C-N 3.32Å; N280-T282 PolarHBondContact O-N 3.09Å; N280-W283 PolarHBondContact O-N 3.14Å; N280-L284 WeakPolarHBondContact O-CG 3.39Å; N280-L284 PolarHBondContact O-N 3.36Å; N280-L319 HydrophobicContact CB-CD1 3.6Å; N280-L319 HydrophobicContact CB-CD2 4.47Å
281	T	88.9	Confident	89.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-35.3	178.2	-55	0	0	0	0	111.7	T277 I279 W283 L284 L285 L319 D326 W327	T277-T281 PolarHBondContact O-N 3.36Å; T277-T281 PolarHBondContact O-OG1 2.71Å; I279-T281 PolarHBondContact O-N 3.4Å; T281-W283 VanDerWaalsContact C-N 3.33Å; T281-W283 PolarHBondContact O-N 2.94Å; T281-L284 PolarHBondContact O-N 3.46Å; T281-L285 PolarHBondContact O-N 2.81Å; T281-L285 VanDerWaalsContact O-N 3.13Å; T281-L319 WeakPolarHBondContact OG1-CD1 3.45Å; T281-L319 WeakPolarHBondContact OG1-CG 3.06Å; T281-D326 HydrophobicContact CG2-CB 3.8Å; T281-D326 WeakPolarHBondContact CG2-OD2 3.46Å; T281-D326 WeakPolarHBondContact OG1-CB 3.44Å; T281-D326 PolarHBondContact OG1-OD2 3.06Å; T281-W327 HydrophobicContact CG2-CH2 3.94Å; T281-W327 HydrophobicContact CG2-CZ2 3.49Å; T281-W327 VanDerWaalsContact CG2-CZ2 3.49Å
282	T	92.4	Very high	89.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-38.3	173.9	-61.4	0	0	0	0	111.8	A196 S197 L203 A278 I279 N280 L285 L299 L303 W327	A196-T282 WeakPolarHBondContact CA-OG1 3.49Å; A196-T282 HydrophobicContact CB-CG2 3.94Å; A196-T282 WeakPolarHBondContact CB-OG1 3.23Å; S197-T282 PolarHBondContact N-OG1 3.1Å; S197-T282 WeakPolarHBondContact O-CB 3.48Å; S197-T282 WeakPolarHBondContact O-CG2 3.42Å; S197-T282 PolarHBondContact O-OG1 3.31Å; L203-T282 HydrophobicContact CD2-CG2 4.23Å; A278-T282 WeakPolarHBondContact O-CB 3.34Å; A278-T282 PolarHBondContact O-N 3.19Å; A278-T282 PolarHBondContact O-OG1 3.17Å; I279-T282 PolarHBondContact O-N 3.22Å; N280-T282 VanDerWaalsContact C-N 3.32Å; N280-T282 PolarHBondContact O-N 3.09Å; T282-L285 WeakPolarHBondContact O-CB 3.44Å; T282-L285 PolarHBondContact O-N 3.19Å; T282-L299 HydrophobicContact CG2-CD2 4.29Å; T282-L303 HydrophobicContact CG2-CD1 4.32Å; T282-W327 PolarHBondContact OG1-NE1 3.28Å
283	W	92.4	Very high	90	Very high	70 Å²	70	42.6 Å²	42.6	27%	0.265	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-34.9	173.8	-77.9	106.6	0	0	0	112.9	T198 I279 N280 T281 L285 Q286 L299	T198-W283 HydrophobicContact CG2-CZ2 4.04Å; I279-W283 PolarHBondContact O-N 3.15Å; I279-W283 VanDerWaalsContact O-N 3.11Å; N280-W283 PolarHBondContact O-N 3.14Å; T281-W283 VanDerWaalsContact C-N 3.33Å; T281-W283 PolarHBondContact O-N 2.94Å; W283-L285 VanDerWaalsContact C-N 3.27Å; W283-L285 PolarHBondContact O-N 3.48Å; W283-Q286 WeakPolarHBondContact O-CB 3.36Å; W283-Q286 VanDerWaalsContact O-CG 3.26Å; W283-Q286 WeakPolarHBondContact O-CG 3.48Å; W283-Q286 PolarHBondContact O-N 3.29Å; W283-Q286 PolarHBondContact O-NE2 2.61Å; W283-L299 HydrophobicContact CD2-CD2 3.94Å; W283-L299 HydrophobicContact CE3-CD2 3.67Å; W283-L299 HydrophobicContact CH2-CD2 4.48Å; W283-L299 HydrophobicContact CZ3-CB 4.48Å; W283-L299 HydrophobicContact CZ3-CD2 3.97Å
284	L	89.1	Confident	90.1	Very high	57 Å²	57	51.1 Å²	51.1	30%	0.298	26%	0.256	S	S	.	.	H	α-helix	trans	-67.2	-24.8	175.1	-69.3	175.8	0	0	0	113.4	N280 T281 Q286 D287 L319	N280-L284 WeakPolarHBondContact O-CG 3.39Å; N280-L284 PolarHBondContact O-N 3.36Å; T281-L284 PolarHBondContact O-N 3.46Å; L284-Q286 PolarHBondContact O-N 2.85Å; L284-Q286 VanDerWaalsContact O-N 3.11Å; L284-D287 PolarHBondContact O-N 3.3Å; L284-L319 HydrophobicContact CD1-CD2 3.61Å; L284-L319 HydrophobicContact CD1-CG 4.06Å
285	L	88.4	Confident	90.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-26.8	173.1	-75.9	170.7	0	0	0	112.2	T281 T282 W283 D287 H288 L289 L303 C316 W327	T281-L285 PolarHBondContact O-N 2.81Å; T281-L285 VanDerWaalsContact O-N 3.13Å; T282-L285 WeakPolarHBondContact O-CB 3.44Å; T282-L285 PolarHBondContact O-N 3.19Å; W283-L285 VanDerWaalsContact C-N 3.27Å; W283-L285 PolarHBondContact O-N 3.48Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 3.07Å; L285-H288 PolarHBondContact O-N 2.87Å; L285-L289 HydrophobicContact CB-CD1 4.04Å; L285-L289 HydrophobicContact CD2-CD1 4.24Å; L285-L289 VanDerWaalsContact O-CB 3.25Å; L285-L289 WeakPolarHBondContact O-CB 3.27Å; L285-L289 VanDerWaalsContact O-CG 3.26Å; L285-L289 WeakPolarHBondContact O-CG 3.36Å; L285-L289 PolarHBondContact O-N 3.26Å; L285-L303 HydrophobicContact CB-CD2 4.38Å; L285-L303 HydrophobicContact CD1-CD2 4.23Å; L285-C316 WeakPolarHBondContact CD2-SG 2.92Å; L285-W327 HydrophobicContact CD1-CZ2 3.76Å; L285-W327 HydrophobicContact CD2-CH2 4.21Å; L285-W327 HydrophobicContact CD2-CZ2 3.91Å; L285-W327 HydrophobicContact CG-CZ2 3.85Å
286	Q	89.7	Confident	90.7	Very high	38 Å²	38	53.8 Å²	53.8	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-36.4	-177.3	87.3	173.3	-76	0	0	112.5	W283 L284 G290 C291 A293 L299	W283-Q286 WeakPolarHBondContact O-CB 3.36Å; W283-Q286 VanDerWaalsContact O-CG 3.26Å; W283-Q286 WeakPolarHBondContact O-CG 3.48Å; W283-Q286 PolarHBondContact O-N 3.29Å; W283-Q286 PolarHBondContact O-NE2 2.61Å; L284-Q286 PolarHBondContact O-N 2.85Å; L284-Q286 VanDerWaalsContact O-N 3.11Å; Q286-G290 CarbonylContact O-C 3.59Å; Q286-G290 VanDerWaalsContact O-CA 3.3Å; Q286-G290 WeakPolarHBondContact O-CA 3.37Å; Q286-G290 PolarHBondContact O-N 2.96Å; Q286-C291 HydrophobicContact CB-CB 4Å; Q286-C291 PolarHBondContact O-N 2.87Å; Q286-A293 PolarHBondContact OE1-O 3.26Å; Q286-L299 HydrophobicContact CB-CD1 3.83Å
287	D	86.4	Confident	91.2	Very high	122 Å²	122	53.3 Å²	53.3	65%	0.652	27%	0.271	S	S	*	.	H	α-helix	trans	-76	-42	-178.4	-70.4	-22.4	0	0	0	109.9	L284 L285 L289 G290	L284-D287 PolarHBondContact O-N 3.3Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 3.07Å; D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 2.58Å; D287-G290 PolarHBondContact O-N 3.04Å
288	H	87.1	Confident	91.7	Very high	59 Å²	59	56.7 Å²	56.7	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-42	175.9	-172.5	64.7	0	0	0	112.4	L285 S313 T315	L285-H288 PolarHBondContact O-N 2.87Å; H288-S313 WeakPolarHBondContact NE2-CB 3.24Å; H288-S313 PolarHBondContact NE2-OG 3.44Å; H288-T315 PolarHBondContact CE1-OG1 3.42Å; H288-T315 VanDerWaalsContact CE1-OG1 3.24Å
289	L	91.8	Very high	92.1	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-92.7	-5.7	-176.4	-59.4	175.1	0	0	0	113.1	L285 D287 L303 R306 D310 I311	L285-L289 HydrophobicContact CB-CD1 4.04Å; L285-L289 HydrophobicContact CD2-CD1 4.24Å; L285-L289 VanDerWaalsContact O-CB 3.25Å; L285-L289 WeakPolarHBondContact O-CB 3.27Å; L285-L289 VanDerWaalsContact O-CG 3.26Å; L285-L289 WeakPolarHBondContact O-CG 3.36Å; L285-L289 PolarHBondContact O-N 3.26Å; D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 2.58Å; L289-L303 HydrophobicContact CD1-CD2 3.51Å; L289-R306 HydrophobicContact CB-CG 4.18Å; L289-R306 HydrophobicContact CD1-CG 4.18Å; L289-R306 HydrophobicContact CD2-CG 4.46Å; L289-R306 PolarHBondContact O-NE 2.98Å; L289-R306 PolarHBondContact O-NH1 3.37Å; L289-R306 PolarHBondContact O-NH2 2.95Å; L289-D310 HydrophobicContact CD2-CB 3.6Å; L289-I311 HydrophobicContact CD1-CG1 4.12Å
290	G	91.9	Very high	92.3	Very high	46 Å²	46	55.2 Å²	55.2	47%	0.474	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	40.5	-177.4	0	0	0	0	0	114	Q286 D287 R306	Q286-G290 CarbonylContact O-C 3.59Å; Q286-G290 VanDerWaalsContact O-CA 3.3Å; Q286-G290 WeakPolarHBondContact O-CA 3.37Å; Q286-G290 PolarHBondContact O-N 2.96Å; D287-G290 PolarHBondContact O-N 3.04Å; G290-R306 PolarHBondContact O-NH2 3.4Å; G290-R306 VanDerWaalsContact O-NH2 3.16Å
291	C	91.8	Very high	92.7	Very high	18 Å²	18	55.7 Å²	55.7	12%	0.122	28%	0.277	C	S	.	.			trans	-81	-25.3	-176.9	-71.6	0	0	0	0	115.2	Q286 A293 L299 C302	Q286-C291 HydrophobicContact CB-CB 4Å; Q286-C291 PolarHBondContact O-N 2.87Å; C291-A293 PolarHBondContact O-N 3.48Å; C291-L299 HydrophobicContact CB-CD1 4.2Å; C291-C302 WeakPolarHBondContact CA-SG 3.33Å; C291-C302 HydrophobicContact CB-CB 3.52Å; C291-C302 WeakPolarHBondContact CB-SG 3.27Å; C291-C302 WeakPolarHBondContact SG-CB 3.23Å; C291-C302 CovalentContact SG-SG 2.02Å; C291-C302 PolarHBondContact SG-SG 2.86Å
292	R	91	Very high	93	Very high	215 Å²	215	56.3 Å²	56.3	81%	0.811	28%	0.281	S	S	*	.			trans	42.9	48.3	-179.3	-59.2	-175.3	-179	-179	0.4	113.1
293	A	94.3	Very high	93.2	Very high	8 Å²	8	56.3 Å²	56.3	7%	0.066	28%	0.281	C	S	.	.			trans	-91.3	132.6	-173.5	0	0	0	0	0	110.8	Q286 C291 Q298 L299	Q286-A293 PolarHBondContact OE1-O 3.26Å; C291-A293 PolarHBondContact O-N 3.48Å; A293-Q298 HydrophobicContact CB-CB 3.9Å; A293-L299 HydrophobicContact CB-CB 3.67Å; A293-L299 HydrophobicContact CB-CD1 4.22Å
294	F	93.6	Very high	93.3	Very high	182 Å²	182	54.7 Å²	54.7	80%	0.798	28%	0.276	S	S	*	.	S	Bend	trans	-95.5	-10.2	178.3	-59.8	-82.4	0	0	0	113.1
295	N	96.6	Very high	93.6	Very high	68 Å²	68	58.3 Å²	58.3	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-155.2	168.7	179.3	59.5	57	0	0	0	111	S297 Q298 L299	N295-S297 VanDerWaalsContact C-N 3.32Å; N295-S297 PolarHBondContact O-N 2.94Å; N295-S297 PolarHBondContact OD1-N 3.4Å; N295-Q298 PolarHBondContact O-N 2.99Å; N295-Q298 WeakPolarHBondContact OD1-CG 3.27Å; N295-Q298 PolarHBondContact OD1-N 3.46Å; N295-L299 PolarHBondContact O-N 2.85Å
296	S	97.2	Very high	93.8	Very high	8 Å²	8	62 Å²	62	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-37.5	-174.1	-49.3	0	0	0	0	113.1	T198 D200 L299 L300	T198-S296 WeakPolarHBondContact CB-OG 3.14Å; D200-S296 VanDerWaalsContact CG-OG 3.31Å; D200-S296 WeakPolarHBondContact OD1-CB 3.04Å; D200-S296 PolarHBondContact OD1-OG 3.13Å; D200-S296 VanDerWaalsContact OD2-CB 3.23Å; D200-S296 WeakPolarHBondContact OD2-CB 3.47Å; D200-S296 PolarHBondContact OD2-OG 2.85Å; S296-L299 PolarHBondContact O-N 3.13Å; S296-L300 WeakPolarHBondContact O-CB 3.38Å; S296-L300 PolarHBondContact O-N 2.93Å
297	S	97.3	Very high	93.9	Very high	63 Å²	63	62.5 Å²	62.5	44%	0.441	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-43.7	178.6	-53.6	0	0	0	0	112	N295 L299 E301	N295-S297 VanDerWaalsContact C-N 3.32Å; N295-S297 PolarHBondContact O-N 2.94Å; N295-S297 PolarHBondContact OD1-N 3.4Å; S297-L299 VanDerWaalsContact C-N 3.34Å; S297-E301 WeakPolarHBondContact O-CG 3.34Å; S297-E301 PolarHBondContact O-N 3.27Å
298	Q	97.1	Very high	94.1	Very high	89 Å²	89	60.7 Å²	60.7	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-38.9	175.7	-72	174.8	-7.3	0	0	111.8	A293 N295 C302	A293-Q298 HydrophobicContact CB-CB 3.9Å; N295-Q298 PolarHBondContact O-N 2.99Å; N295-Q298 WeakPolarHBondContact OD1-CG 3.27Å; N295-Q298 PolarHBondContact OD1-N 3.46Å; Q298-C302 WeakPolarHBondContact O-CB 3.33Å; Q298-C302 PolarHBondContact O-N 2.9Å
299	L	96.6	Very high	94	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-49.6	177.5	-177.8	56.3	0	0	0	110.5	T198 T282 W283 Q286 C291 A293 N295 S296 S297 E301 C302 L303	T198-L299 HydrophobicContact CG2-CD2 4.04Å; T282-L299 HydrophobicContact CG2-CD2 4.29Å; W283-L299 HydrophobicContact CD2-CD2 3.94Å; W283-L299 HydrophobicContact CE3-CD2 3.67Å; W283-L299 HydrophobicContact CH2-CD2 4.48Å; W283-L299 HydrophobicContact CZ3-CB 4.48Å; W283-L299 HydrophobicContact CZ3-CD2 3.97Å; Q286-L299 HydrophobicContact CB-CD1 3.83Å; C291-L299 HydrophobicContact CB-CD1 4.2Å; A293-L299 HydrophobicContact CB-CB 3.67Å; A293-L299 HydrophobicContact CB-CD1 4.22Å; N295-L299 PolarHBondContact O-N 2.85Å; S296-L299 PolarHBondContact O-N 3.13Å; S297-L299 VanDerWaalsContact C-N 3.34Å; L299-E301 PolarHBondContact O-N 3.21Å; L299-C302 WeakPolarHBondContact O-CB 3.29Å; L299-C302 PolarHBondContact O-N 2.98Å; L299-C302 VanDerWaalsContact O-N 3.15Å; L299-L303 HydrophobicContact CD1-CD1 4.43Å; L299-L303 HydrophobicContact CD1-CD2 4.5Å; L299-L303 HydrophobicContact CD1-CG 4.21Å; L299-L303 HydrophobicContact CG-CD1 4.12Å; L299-L303 HydrophobicContact CG-CG 4.34Å; L299-L303 VanDerWaalsContact O-CG 3.31Å; L299-L303 WeakPolarHBondContact O-CG 3.43Å; L299-L303 PolarHBondContact O-N 2.98Å
300	L	96.7	Very high	93.9	Very high	9 Å²	9	70.6 Å²	70.6	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-56.4	-48.3	177.8	175.3	59.7	0	0	0	112.2	F86 V202 L203 S296 C302 L303 K304	F86-L300 HydrophobicContact CB-CD1 3.67Å; F86-L300 HydrophobicContact CD2-CD1 4.12Å; F86-L300 HydrophobicContact CG-CD1 4.15Å; V202-L300 HydrophobicContact CG1-CD2 4.04Å; L203-L300 HydrophobicContact CD1-CD1 4.28Å; L203-L300 HydrophobicContact CD2-CD1 4.5Å; S296-L300 WeakPolarHBondContact O-CB 3.38Å; S296-L300 PolarHBondContact O-N 2.93Å; L300-C302 VanDerWaalsContact C-N 3.29Å; L300-C302 PolarHBondContact O-N 3.44Å; L300-L303 PolarHBondContact O-N 3.02Å; L300-K304 HydrophobicContact CD1-CG 4.41Å; L300-K304 WeakPolarHBondContact O-CG 3.39Å; L300-K304 PolarHBondContact O-N 3.1Å
301	E	96.2	Very high	93.8	Very high	105 Å²	105	68.4 Å²	68.4	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-36.7	178.6	-71.8	-55.1	120.1	0	0	112	S297 L299 K304	S297-E301 WeakPolarHBondContact O-CG 3.34Å; S297-E301 PolarHBondContact O-N 3.27Å; L299-E301 PolarHBondContact O-N 3.21Å; E301-K304 IonicContact OE1-NZ 2.83Å; E301-K304 PolarHBondContact OE1-NZ 3.33Å
302	C	96	Very high	93.5	Very high	12 Å²	12	68.8 Å²	68.8	8%	0.081	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-48.2	171.6	-175.2	0	0	0	0	111.9	C291 Q298 L299 L300 K304 I305 R306	C291-C302 WeakPolarHBondContact CA-SG 3.33Å; C291-C302 HydrophobicContact CB-CB 3.52Å; C291-C302 WeakPolarHBondContact CB-SG 3.27Å; C291-C302 WeakPolarHBondContact SG-CB 3.23Å; C291-C302 CovalentContact SG-SG 2.02Å; C291-C302 PolarHBondContact SG-SG 2.86Å; Q298-C302 WeakPolarHBondContact O-CB 3.33Å; Q298-C302 PolarHBondContact O-N 2.9Å; L299-C302 WeakPolarHBondContact O-CB 3.29Å; L299-C302 PolarHBondContact O-N 2.98Å; L299-C302 VanDerWaalsContact O-N 3.15Å; L300-C302 VanDerWaalsContact C-N 3.29Å; L300-C302 PolarHBondContact O-N 3.44Å; C302-K304 VanDerWaalsContact C-N 3.26Å; C302-K304 PolarHBondContact O-N 3.22Å; C302-I305 WeakPolarHBondContact O-CG1 3.49Å; C302-I305 PolarHBondContact O-N 2.73Å; C302-I305 VanDerWaalsContact O-N 3.14Å; C302-R306 WeakPolarHBondContact O-CG 3.05Å; C302-R306 PolarHBondContact O-N 3.09Å; C302-R306 PolarHBondContact SG-NE 3.19Å; C302-R306 VanDerWaalsContact SG-NE 3.38Å
303	L	95.1	Very high	93.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-38.3	-179.5	-68.4	176.1	0	0	0	112	F86 L203 T282 L285 L289 L299 L300 I305 R306	F86-L303 HydrophobicContact CD2-CB 4.21Å; F86-L303 HydrophobicContact CE2-CB 3.53Å; F86-L303 HydrophobicContact CZ-CB 3.84Å; F86-L303 HydrophobicContact CZ-CD1 4.45Å; L203-L303 HydrophobicContact CD2-CD1 4.27Å; T282-L303 HydrophobicContact CG2-CD1 4.32Å; L285-L303 HydrophobicContact CB-CD2 4.38Å; L285-L303 HydrophobicContact CD1-CD2 4.23Å; L289-L303 HydrophobicContact CD1-CD2 3.51Å; L299-L303 HydrophobicContact CD1-CD1 4.43Å; L299-L303 HydrophobicContact CD1-CD2 4.5Å; L299-L303 HydrophobicContact CD1-CG 4.21Å; L299-L303 HydrophobicContact CG-CD1 4.12Å; L299-L303 HydrophobicContact CG-CG 4.34Å; L299-L303 VanDerWaalsContact O-CG 3.31Å; L299-L303 WeakPolarHBondContact O-CG 3.43Å; L299-L303 PolarHBondContact O-N 2.98Å; L300-L303 PolarHBondContact O-N 3.02Å; L303-I305 VanDerWaalsContact C-N 3.27Å; L303-I305 PolarHBondContact O-N 3.2Å; L303-R306 PolarHBondContact O-N 2.98Å
304	K	95.8	Very high	92	Very high	36 Å²	36	63.3 Å²	63.3	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-34.2	177.7	-76.2	177.3	-177.1	166.4	0	113.5	R85 F86 L300 E301 C302	R85-K304 PolarHBondContact NH1-O 3.25Å; R85-K304 VanDerWaalsContact NH1-O 3.14Å; F86-K304 HydrophobicContact CD2-CG 4.17Å; L300-K304 HydrophobicContact CD1-CG 4.41Å; L300-K304 WeakPolarHBondContact O-CG 3.39Å; L300-K304 PolarHBondContact O-N 3.1Å; E301-K304 IonicContact OE1-NZ 2.83Å; E301-K304 PolarHBondContact OE1-NZ 3.33Å; C302-K304 VanDerWaalsContact C-N 3.26Å; C302-K304 PolarHBondContact O-N 3.22Å
305	I	94.3	Very high	90.9	Very high	134 Å²	134	59.5 Å²	59.5	69%	0.687	30%	0.3	S	S	*	.	H	α-helix	trans	-91.1	-9.8	-177.5	65	164.4	0	0	0	114.1	C302 L303	C302-I305 WeakPolarHBondContact O-CG1 3.49Å; C302-I305 PolarHBondContact O-N 2.73Å; C302-I305 VanDerWaalsContact O-N 3.14Å; L303-I305 VanDerWaalsContact C-N 3.27Å; L303-I305 PolarHBondContact O-N 3.2Å
306	R	93.9	Very high	89.3	Confident	78 Å²	78	56.6 Å²	56.6	29%	0.294	29%	0.285	S	S	.	.	S	Bend	trans	-75.3	155.2	179	-64.3	-61	170	178.7	1.5	112	R85 L289 G290 C302 L303 I311	R85-R306 PolarHBondContact NH1-O 3.45Å; L289-R306 HydrophobicContact CB-CG 4.18Å; L289-R306 HydrophobicContact CD1-CG 4.18Å; L289-R306 HydrophobicContact CD2-CG 4.46Å; L289-R306 PolarHBondContact O-NE 2.98Å; L289-R306 PolarHBondContact O-NH1 3.37Å; L289-R306 PolarHBondContact O-NH2 2.95Å; G290-R306 PolarHBondContact O-NH2 3.4Å; G290-R306 VanDerWaalsContact O-NH2 3.16Å; C302-R306 WeakPolarHBondContact O-CG 3.05Å; C302-R306 PolarHBondContact O-N 3.09Å; C302-R306 PolarHBondContact SG-NE 3.19Å; C302-R306 VanDerWaalsContact SG-NE 3.38Å; L303-R306 PolarHBondContact O-N 2.98Å; R306-I311 HydrophobicContact CB-CD1 4.15Å; R306-I311 HydrophobicContact CB-CG1 4.11Å
307	S	92	Very high	87.6	Confident	49 Å²	49	59.2 Å²	59.2	34%	0.343	30%	0.302	S	S	.	.			trans	-72.9	147.3	176.8	89.5	0	0	0	0	109.9	R309 D310 I311	S307-R309 PolarHBondContact O-N 2.99Å; S307-R309 PolarHBondContact OG-N 3.35Å; S307-D310 WeakPolarHBondContact CB-OD2 3.23Å; S307-D310 PolarHBondContact O-N 3.44Å; S307-D310 VanDerWaalsContact O-N 3.17Å; S307-D310 PolarHBondContact OG-N 2.97Å; S307-D310 PolarHBondContact OG-OD1 3.1Å; S307-D310 PolarHBondContact OG-OD2 2.78Å; S307-I311 WeakPolarHBondContact O-CG1 3.19Å; S307-I311 PolarHBondContact O-N 3.3Å
308	R	89	Confident	86	Confident	83 Å²	83	60.2 Å²	60.2	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-51.6	-40.5	171	-177.2	-175.2	62.2	-177.5	-0.6	111.7	A109 R128 E130 D310 I311 Y312	A109-R308 VanDerWaalsContact CB-CD 3.41Å; A109-R308 HydrophobicContact CB-CG 3.9Å; R128-R308 PolarHBondContact O-NH1 3.47Å; E130-R308 WeakPolarHBondContact OE1-CB 3.41Å; R308-D310 VanDerWaalsContact C-N 3.31Å; R308-D310 PolarHBondContact O-N 2.87Å; R308-I311 PolarHBondContact O-N 2.84Å; R308-Y312 HydrophobicContact CG-CD2 3.91Å; R308-Y312 HydrophobicContact CG-CE2 4.08Å; R308-Y312 VanDerWaalsContact O-CD2 3.31Å; R308-Y312 WeakPolarHBondContact O-CD2 3.1Å; R308-Y312 PolarHBondContact O-N 3.43Å; R308-Y312 VanDerWaalsContact O-N 3.07Å
309	R	86.6	Confident	84.1	Confident	207 Å²	207	57 Å²	57	78%	0.781	28%	0.281	S	S	*	.	H	α-helix	trans	-62.4	-40.7	-177.3	-175.7	-175.6	-67.9	134.9	-3.4	111.4	S307 Y312 S313	S307-R309 PolarHBondContact O-N 2.99Å; S307-R309 PolarHBondContact OG-N 3.35Å; R309-Y312 CarbonylContact O-C 3.54Å; R309-S313 PolarHBondContact O-N 2.85Å
310	D	88.4	Confident	82.1	Confident	72 Å²	72	63.4 Å²	63.4	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-72.7	-37.5	-178.4	-50.9	-36.1	0	0	0	111	L289 S307 R308 S313	L289-D310 HydrophobicContact CD2-CB 3.6Å; S307-D310 WeakPolarHBondContact CB-OD2 3.23Å; S307-D310 PolarHBondContact O-N 3.44Å; S307-D310 VanDerWaalsContact O-N 3.17Å; S307-D310 PolarHBondContact OG-N 2.97Å; S307-D310 PolarHBondContact OG-OD1 3.1Å; S307-D310 PolarHBondContact OG-OD2 2.78Å; R308-D310 VanDerWaalsContact C-N 3.31Å; R308-D310 PolarHBondContact O-N 2.87Å; D310-S313 VanDerWaalsContact O-CB 3.24Å; D310-S313 WeakPolarHBondContact O-CB 3.21Å; D310-S313 PolarHBondContact O-N 2.89Å
311	I	89.8	Confident	80.1	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-40.4	177.6	-67	166.6	0	0	0	111.6	F86 P192 L193 L289 R306 S307 R308 S313	F86-I311 HydrophobicContact CZ-CD1 4.18Å; P192-I311 HydrophobicContact CB-CG2 3.76Å; P192-I311 HydrophobicContact CG-CG2 3.41Å; P192-I311 VanDerWaalsContact CG-CG2 3.41Å; L193-I311 HydrophobicContact CD2-CD1 4.36Å; L289-I311 HydrophobicContact CD1-CG1 4.12Å; R306-I311 HydrophobicContact CB-CD1 4.15Å; R306-I311 HydrophobicContact CB-CG1 4.11Å; S307-I311 WeakPolarHBondContact O-CG1 3.19Å; S307-I311 PolarHBondContact O-N 3.3Å; R308-I311 PolarHBondContact O-N 2.84Å; I311-S313 VanDerWaalsContact C-N 3.31Å
312	Y	86.6	Confident	78.5	Confident	25 Å²	25	67.6 Å²	67.6	10%	0.098	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	30.5	177.5	-70.9	-98.8	0	0	0	112	A109 L190 P192 L193 R308 R309	A109-Y312 HydrophobicContact CB-CE2 3.69Å; A109-Y312 WeakPolarHBondContact O-CE1 3.14Å; A109-Y312 PolarHBondContact O-OH 3.46Å; A109-Y312 VanDerWaalsContact O-OH 3.12Å; L190-Y312 PolarHBondContact O-OH 2.77Å; P192-Y312 HydrophobicContact CG-CD1 4.31Å; P192-Y312 HydrophobicContact CG-CD2 4.38Å; P192-Y312 HydrophobicContact CG-CE1 4.1Å; P192-Y312 HydrophobicContact CG-CE2 4.2Å; P192-Y312 HydrophobicContact CG-CG 4.45Å; L193-Y312 WeakPolarHBondContact CB-OH 3.34Å; L193-Y312 HydrophobicContact CD1-CE2 3.69Å; L193-Y312 HydrophobicContact CG-CE2 3.64Å; L193-Y312 VanDerWaalsContact CG-OH 3.3Å; L193-Y312 WeakPolarHBondContact CG-OH 3.45Å; R308-Y312 HydrophobicContact CG-CD2 3.91Å; R308-Y312 HydrophobicContact CG-CE2 4.08Å; R308-Y312 VanDerWaalsContact O-CD2 3.31Å; R308-Y312 WeakPolarHBondContact O-CD2 3.1Å; R308-Y312 PolarHBondContact O-N 3.43Å; R308-Y312 VanDerWaalsContact O-N 3.07Å; R309-Y312 CarbonylContact O-C 3.54Å
313	S	81.9	Confident	77	Confident	26 Å²	26	69.2 Å²	69.2	18%	0.182	34%	0.341	C	S	.	.			trans	-74.9	135.1	178.7	179.4	0	0	0	0	110	H288 R309 D310 I311 T315 C316	H288-S313 WeakPolarHBondContact NE2-CB 3.24Å; H288-S313 PolarHBondContact NE2-OG 3.44Å; R309-S313 PolarHBondContact O-N 2.85Å; D310-S313 VanDerWaalsContact O-CB 3.24Å; D310-S313 WeakPolarHBondContact O-CB 3.21Å; D310-S313 PolarHBondContact O-N 2.89Å; I311-S313 VanDerWaalsContact C-N 3.31Å; S313-T315 PolarHBondContact O-N 3.32Å; S313-T315 PolarHBondContact OG-N 2.82Å; S313-T315 PolarHBondContact OG-OG1 2.59Å; S313-C316 VanDerWaalsContact O-CB 3.24Å; S313-C316 WeakPolarHBondContact O-CB 3.15Å; S313-C316 PolarHBondContact O-N 3.29Å; S313-C316 VanDerWaalsContact O-N 3.08Å
314	P	70.7	Confident	76.1	Confident	82 Å²	82	70 Å²	70	53%	0.532	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.4	178.2	28.2	-27.8	0	0	0	111.4	E111 C316	E111-P314 WeakPolarHBondContact OE1-CB 3.37Å; E111-P314 WeakPolarHBondContact OE1-CD 3.17Å; E111-P314 WeakPolarHBondContact OE1-CG 3.35Å; P314-C316 VanDerWaalsContact C-N 3.26Å
315	T	71.4	Confident	75.5	Confident	102 Å²	102	69.5 Å²	69.5	63%	0.626	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.2	175.8	62	0	0	0	0	112.8	H288 S313	H288-T315 PolarHBondContact CE1-OG1 3.42Å; H288-T315 VanDerWaalsContact CE1-OG1 3.24Å; S313-T315 PolarHBondContact O-N 3.32Å; S313-T315 PolarHBondContact OG-N 2.82Å; S313-T315 PolarHBondContact OG-OG1 2.59Å
316	C	63.7	Low	75.1	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.054	31%	0.311	C	S	.	.	S	Bend	trans	-57.8	129.1	169.8	-177.9	0	0	0	0	109.2	L285 S313 P314 R318	L285-C316 WeakPolarHBondContact CD2-SG 2.92Å; S313-C316 VanDerWaalsContact O-CB 3.24Å; S313-C316 WeakPolarHBondContact O-CB 3.15Å; S313-C316 PolarHBondContact O-N 3.29Å; S313-C316 VanDerWaalsContact O-N 3.08Å; P314-C316 VanDerWaalsContact C-N 3.26Å; C316-R318 PolarHBondContact O-N 2.87Å
317	P	60.8	Low	74.9	Confident	62 Å²	62	60.2 Å²	60.2	40%	0.403	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-55.8	116.4	171.6	-19.7	30.7	0	0	0	108.8
318	R	63.2	Low	75	Confident	85 Å²	85	58 Å²	58	32%	0.321	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-89.4	151.6	167.9	-65.2	-173.7	179.8	-146.2	-4.9	108.4	C316 T320 E325	C316-R318 PolarHBondContact O-N 2.87Å; R318-T320 PolarHBondContact O-N 2.84Å; R318-E325 IonicContact CZ-OE2 3.85Å; R318-E325 IonicContact NH1-OE1 3.43Å; R318-E325 IonicContact NH1-OE2 3.19Å; R318-E325 PolarHBondContact NH1-OE2 3.28Å; R318-E325 IonicContact NH2-OE2 2.75Å
319	L	57.4	Low	75.4	Confident	20 Å²	20	54 Å²	54	11%	0.105	27%	0.269	C	S	.	.			trans	-66.9	105	169.4	-73.3	170.1	0	0	0	107.5	T277 N280 T281 L284 Y321 D326	T277-L319 HydrophobicContact CG2-CD1 4.2Å; N280-L319 HydrophobicContact CB-CD1 3.6Å; N280-L319 HydrophobicContact CB-CD2 4.47Å; T281-L319 WeakPolarHBondContact OG1-CD1 3.45Å; T281-L319 WeakPolarHBondContact OG1-CG 3.06Å; L284-L319 HydrophobicContact CD1-CD2 3.61Å; L284-L319 HydrophobicContact CD1-CG 4.06Å; L319-Y321 HydrophobicContact CB-CD2 4.11Å; L319-Y321 HydrophobicContact CD2-CD2 3.93Å; L319-Y321 HydrophobicContact CD2-CE2 3.83Å; L319-Y321 PolarHBondContact O-N 3.44Å; L319-D326 PolarHBondContact N-OD2 3.49Å; L319-D326 VanDerWaalsContact N-OD2 3.16Å
320	T	55.4	Low	75.8	Confident	136 Å²	136	44.3 Å²	44.3	83%	0.834	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	17	-179.2	60.1	0	0	0	0	112.9	R318 D322	R318-T320 PolarHBondContact O-N 2.84Å; T320-D322 VanDerWaalsContact C-N 3.33Å
321	Y	53.5	Low	76.2	Confident	193 Å²	193	43 Å²	43	76%	0.757	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-31	-178.2	-69.3	-68.7	0	0	0	111.5	L319	L319-Y321 HydrophobicContact CB-CD2 4.11Å; L319-Y321 HydrophobicContact CD2-CD2 3.93Å; L319-Y321 HydrophobicContact CD2-CE2 3.83Å; L319-Y321 PolarHBondContact O-N 3.44Å
322	D	62.2	Low	76.4	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.048	23%	0.234	C	C	.	.			trans	-149.6	172.7	173.5	62.8	36.5	0	0	0	111	R275 T320 Y324 E424 Y426	R275-D322 IonicContact CZ-OD1 3.62Å; R275-D322 IonicContact CZ-OD2 3Å; R275-D322 IonicContact NH1-OD1 2.67Å; R275-D322 IonicContact NH2-OD1 3.73Å; R275-D322 PolarHBondContact NH2-OD1 2.96Å; R275-D322 IonicContact NH2-OD2 3.89Å; R275-D322 PolarHBondContact NH2-OD2 2.98Å; T320-D322 VanDerWaalsContact C-N 3.33Å; D322-Y324 HydrophobicContact CB-CD2 3.98Å; D322-Y324 PolarHBondContact OD1-N 3.24Å; D322-E424 WeakPolarHBondContact CB-O 3.42Å; D322-Y426 WeakPolarHBondContact OD2-CB 3.48Å; D322-Y426 WeakPolarHBondContact OD2-CD1 3.49Å
323	N	66.3	Low	76.7	Confident	46 Å²	46	44.2 Å²	44.2	25%	0.246	24%	0.241	C	C	.	.	S	Bend	trans	-99.5	19.6	-176.8	-66.5	-59.3	0	0	0	113.3	L393 V396 E424	N323-L393 HydrophobicContact CB-CB 4.5Å; N323-L393 HydrophobicContact CB-CD1 3.61Å; N323-V396 HydrophobicContact CB-CB 4.22Å; N323-V396 HydrophobicContact CB-CG2 4.5Å; N323-V396 VanDerWaalsContact CG-CG1 3.42Å; N323-V396 WeakPolarHBondContact ND2-CB 3.24Å; N323-V396 WeakPolarHBondContact ND2-CG1 3.46Å; N323-V396 WeakPolarHBondContact OD1-CG1 3.19Å; N323-E424 PolarHBondContact ND2-OE1 3.13Å; N323-E424 PolarHBondContact ND2-OE2 2.75Å
324	Y	76	Confident	77.1	Confident	16 Å²	16	53.2 Å²	53.2	6%	0.063	28%	0.277	C	S	.	.	S	Bend	trans	-81.9	157.3	172.5	-66.6	-85	0	0	0	110.3	P271 R275 D322 L393 H425 Y426	P271-Y324 HydrophobicContact CB-CE1 3.9Å; P271-Y324 WeakPolarHBondContact CB-OH 3.48Å; P271-Y324 WeakPolarHBondContact O-CE1 3.45Å; R275-Y324 PolarHBondContact NH1-O 3.13Å; D322-Y324 HydrophobicContact CB-CD2 3.98Å; D322-Y324 PolarHBondContact OD1-N 3.24Å; Y324-L393 HydrophobicContact CD1-CD2 3.83Å; Y324-L393 HydrophobicContact CD2-CD1 4.4Å; Y324-L393 HydrophobicContact CE1-CD1 4.5Å; Y324-L393 HydrophobicContact CE1-CD2 3.35Å; Y324-L393 HydrophobicContact CE2-CD1 4.22Å; Y324-L393 HydrophobicContact CE2-CD2 4.43Å; Y324-H425 AromaticContact CE2-ND1 3.79Å; Y324-H425 AromaticContact CZ-ND1 3.72Å; Y324-H425 PolarHBondContact OH-ND1 3.48Å; Y324-Y426 HydrophobicContact CD2-CD1 4.35Å
325	E	82.9	Confident	78.1	Confident	25 Å²	25	51.7 Å²	51.7	12%	0.117	28%	0.276	C	S	.	.			trans	-71.2	141.7	173.6	-61.8	-63.1	158.6	0	0	110.4	R114 D158 Q160 R275 R318 V328	R114-E325 IonicContact NH1-OE1 2.77Å; R114-E325 PolarHBondContact NH1-OE1 2.73Å; R114-E325 VanDerWaalsContact NH1-OE1 3.13Å; D158-E325 HydrophobicContact CB-CG 4.09Å; Q160-E325 HydrophobicContact CG-CB 4.01Å; Q160-E325 HydrophobicContact CG-CG 3.76Å; R275-E325 PolarHBondContact NH1-O 3.43Å; R318-E325 IonicContact CZ-OE2 3.85Å; R318-E325 IonicContact NH1-OE1 3.43Å; R318-E325 IonicContact NH1-OE2 3.19Å; R318-E325 PolarHBondContact NH1-OE2 3.28Å; R318-E325 IonicContact NH2-OE2 2.75Å; E325-V328 HydrophobicContact CB-CG1 4.12Å
326	D	84.3	Confident	79.1	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	-85.3	-42.3	-171.4	-76	-22.2	0	0	0	112.9	R275 A278 T281 L319 V328	R275-D326 IonicContact NH1-OD1 2.75Å; R275-D326 PolarHBondContact NH1-OD1 3.09Å; A278-D326 VanDerWaalsContact CA-O 3.22Å; A278-D326 WeakPolarHBondContact CA-O 3.31Å; A278-D326 VanDerWaalsContact CB-O 3.28Å; A278-D326 WeakPolarHBondContact CB-O 3.21Å; A278-D326 PolarHBondContact N-O 3.47Å; T281-D326 HydrophobicContact CG2-CB 3.8Å; T281-D326 WeakPolarHBondContact CG2-OD2 3.46Å; T281-D326 WeakPolarHBondContact OG1-CB 3.44Å; T281-D326 PolarHBondContact OG1-OD2 3.06Å; L319-D326 PolarHBondContact N-OD2 3.49Å; L319-D326 VanDerWaalsContact N-OD2 3.16Å; D326-V328 PolarHBondContact O-N 2.84Å; D326-V328 VanDerWaalsContact O-N 3.15Å
327	W	91.5	Very high	80.7	Confident	13 Å²	13	47 Å²	47	5%	0.049	25%	0.25	C	C	.	.	S	Bend	trans	-90	75.6	-178.9	-64.5	-67.8	0	0	0	111.3	Q160 P192 F195 T281 T282 L285	Q160-W327 PolarHBondContact NE2-O 3.33Å; P192-W327 HydrophobicContact CB-CD2 3.9Å; P192-W327 HydrophobicContact CB-CE3 4.41Å; P192-W327 HydrophobicContact CB-CG 4.15Å; P192-W327 HydrophobicContact CB-CZ2 4.22Å; P192-W327 HydrophobicContact CG-CD2 4.3Å; P192-W327 HydrophobicContact CG-CE3 4.31Å; P192-W327 HydrophobicContact CG-CZ3 4.48Å; F195-W327 HydrophobicContact CB-CB 4.08Å; F195-W327 WeakPolarHBondContact CB-O 3.25Å; T281-W327 HydrophobicContact CG2-CH2 3.94Å; T281-W327 HydrophobicContact CG2-CZ2 3.49Å; T281-W327 VanDerWaalsContact CG2-CZ2 3.49Å; T282-W327 PolarHBondContact OG1-NE1 3.28Å; L285-W327 HydrophobicContact CD1-CZ2 3.76Å; L285-W327 HydrophobicContact CD2-CH2 4.21Å; L285-W327 HydrophobicContact CD2-CZ2 3.91Å; L285-W327 HydrophobicContact CG-CZ2 3.85Å
328	V	93.6	Very high	82.3	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	23%	0.231	C	C	.	.	S	Bend	trans	-118.9	173	174.9	-58.5	0	0	0	0	109.2	F159 R275 E325 D326	F159-V328 HydrophobicContact CD2-CB 3.91Å; F159-V328 HydrophobicContact CD2-CG1 3.78Å; F159-V328 HydrophobicContact CE2-CB 4.34Å; F159-V328 HydrophobicContact CE2-CG1 4.5Å; R275-V328 HydrophobicContact CB-CG2 3.69Å; R275-V328 HydrophobicContact CG-CG2 3.63Å; E325-V328 HydrophobicContact CB-CG1 4.12Å; D326-V328 PolarHBondContact O-N 2.84Å; D326-V328 VanDerWaalsContact O-N 3.15Å
329	P	97.5	Very high	83.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.			trans	-49.9	147.1	175.8	-30.4	35.5	0	0	0	114.5	F159 F195 N206 L209 L247 M273 L274 R275 I338	F159-P329 HydrophobicContact CD1-CG 4.17Å; F159-P329 HydrophobicContact CE1-CG 3.59Å; F159-P329 VanDerWaalsContact CE2-CD 3.47Å; F159-P329 HydrophobicContact CE2-CG 4.1Å; F159-P329 VanDerWaalsContact CZ-CD 3.47Å; F159-P329 HydrophobicContact CZ-CG 3.57Å; F195-P329 HydrophobicContact CD1-CG 4.16Å; F195-P329 HydrophobicContact CE1-CG 3.81Å; N206-P329 VanDerWaalsContact OD1-CA 3.31Å; N206-P329 WeakPolarHBondContact OD1-CA 3.31Å; L209-P329 HydrophobicContact CD1-CB 4.09Å; L209-P329 HydrophobicContact CD1-CG 4.17Å; L247-P329 HydrophobicContact CD1-CB 3.96Å; L247-P329 HydrophobicContact CD1-CG 3.93Å; M273-P329 WeakPolarHBondContact O-CD 3.46Å; L274-P329 CarbonylContact C-O 3.5Å; L274-P329 WeakPolarHBondContact CA-O 3.07Å; L274-P329 HydrophobicContact CD1-CB 3.97Å; R275-P329 PolarHBondContact N-O 2.71Å; P329-I338 HydrophobicContact CB-CD1 3.86Å
330	V	95.7	Very high	85.6	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.238	C	C	.	.			trans	-120.1	152.5	176.7	-65.7	0	0	0	0	110.2	P204 N206 R275 A278 D332	P204-V330 WeakPolarHBondContact O-CG2 3.24Å; N206-V330 PolarHBondContact ND2-O 3.01Å; N206-V330 PolarHBondContact OD1-N 3.02Å; R275-V330 VanDerWaalsContact O-CG1 3.23Å; R275-V330 WeakPolarHBondContact O-CG1 3.08Å; A278-V330 HydrophobicContact CB-CG1 3.69Å; V330-D332 HydrophobicContact CG2-CB 4.43Å; V330-D332 PolarHBondContact O-N 3.44Å
331	V	95.4	Very high	87.4	Confident	46 Å²	46	42.7 Å²	42.7	28%	0.279	22%	0.219	S	C	.	.			trans	-72.5	108.1	164.2	179	0	0	0	0	107.4	L274 I338 Y341	L274-V331 HydrophobicContact CD1-CG2 4.27Å; L274-V331 HydrophobicContact CD2-CG2 3.78Å; L274-V331 HydrophobicContact CG-CG2 4.23Å; V331-I338 WeakPolarHBondContact CG1-O 3.4Å; V331-I338 HydrophobicContact CG2-CG2 4.21Å; V331-Y341 HydrophobicContact CG2-CD1 4.03Å; V331-Y341 HydrophobicContact CG2-CD2 4.41Å; V331-Y341 HydrophobicContact CG2-CE1 4.02Å; V331-Y341 HydrophobicContact CG2-CE2 4.4Å; V331-Y341 HydrophobicContact CG2-CG 4.23Å
332	D	94.6	Very high	89.3	Confident	28 Å²	28	33.6 Å²	33.6	15%	0.15	18%	0.183	C	C	.	.			trans	-99.7	7.4	-175.1	58.4	-2.5	0	0	0	113.1	P204 N206 V330 G336 V337 I338	P204-D332 HydrophobicContact CB-CB 4.49Å; N206-D332 PolarHBondContact ND2-OD2 3.28Å; V330-D332 HydrophobicContact CG2-CB 4.43Å; V330-D332 PolarHBondContact O-N 3.44Å; D332-G336 VanDerWaalsContact CG-CA 3.45Å; D332-G336 VanDerWaalsContact OD1-CA 3.29Å; D332-G336 WeakPolarHBondContact OD1-CA 3.33Å; D332-G336 WeakPolarHBondContact OD2-CA 3.33Å; D332-V337 VanDerWaalsContact CG-N 3.29Å; D332-V337 PolarHBondContact OD1-N 3.39Å; D332-V337 PolarHBondContact OD2-N 3.22Å; D332-I338 PolarHBondContact N-O 3.04Å; D332-I338 VanDerWaalsContact N-O 3.12Å; D332-I338 VanDerWaalsContact OD1-C 3.31Å; D332-I338 WeakPolarHBondContact OD1-CA 3.44Å; D332-I338 PolarHBondContact OD1-N 3.32Å; D332-I338 VanDerWaalsContact OD1-O 3.05Å
333	G	92.5	Very high	90.6	Very high	23 Å²	23	35.7 Å²	35.7	24%	0.237	19%	0.193	C	C	.	.			trans	75.8	-168.8	166	0	0	0	0	0	114.8	G335 G336 I338 P339	G333-G335 PolarHBondContact O-N 3.14Å; G333-G336 PolarHBondContact O-N 3.36Å; G333-I338 PolarHBondContact N-O 2.76Å; G333-P339 WeakPolarHBondContact O-CA 3.21Å
334	F	90.6	Very high	91.9	Very high	214 Å²	214	36.9 Å²	36.9	94%	0.939	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	123.7	-173.1	-177.8	-96.7	0	0	0	112.1	G336	F334-G336 VanDerWaalsContact C-N 3.3Å
335	G	90.6	Very high	92.7	Very high	51 Å²	51	36.4 Å²	36.4	53%	0.526	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-14.8	-176.3	0	0	0	0	0	114.4	H253 G333	H253-G335 PolarHBondContact NE2-O 3.38Å; G333-G335 PolarHBondContact O-N 3.14Å
336	G	94.3	Very high	93.1	Very high	11 Å²	11	35.4 Å²	35.4	11%	0.113	19%	0.193	C	C	.	.	S	Bend	trans	-72.6	-178.1	173	0	0	0	0	0	114.1	H253 D332 G333 F334	H253-G336 PolarHBondContact CD2-O 3.37Å; H253-G336 PolarHBondContact NE2-O 3.29Å; H253-G336 VanDerWaalsContact NE2-O 3.09Å; D332-G336 VanDerWaalsContact CG-CA 3.45Å; D332-G336 VanDerWaalsContact OD1-CA 3.29Å; D332-G336 WeakPolarHBondContact OD1-CA 3.33Å; D332-G336 WeakPolarHBondContact OD2-CA 3.33Å; G333-G336 PolarHBondContact O-N 3.36Å; F334-G336 VanDerWaalsContact C-N 3.3Å
337	V	95.8	Very high	93.3	Very high	1 Å²	1	40 Å²	40	1%	0.006	23%	0.225	C	C	.	.	S	Bend	trans	-70.3	-37.9	176.2	-178.9	0	0	0	0	111.2	N206 L209 W210 I213 S251 D332 P339	N206-V337 HydrophobicContact CB-CB 4.43Å; N206-V337 HydrophobicContact CB-CG2 4.28Å; L209-V337 HydrophobicContact CB-CG1 3.93Å; L209-V337 HydrophobicContact CD1-CG1 3.9Å; W210-V337 HydrophobicContact CD2-CG2 3.63Å; W210-V337 HydrophobicContact CE3-CG2 4.28Å; W210-V337 HydrophobicContact CG-CG2 3.94Å; W210-V337 HydrophobicContact CH2-CG2 4.32Å; W210-V337 HydrophobicContact CZ2-CG2 3.67Å; I213-V337 HydrophobicContact CD1-CG1 3.9Å; I213-V337 HydrophobicContact CD1-CG2 3.98Å; S251-V337 VanDerWaalsContact CB-O 3.25Å; S251-V337 WeakPolarHBondContact CB-O 3.46Å; S251-V337 PolarHBondContact OG-O 2.85Å; D332-V337 VanDerWaalsContact CG-N 3.29Å; D332-V337 PolarHBondContact OD1-N 3.39Å; D332-V337 PolarHBondContact OD2-N 3.22Å; V337-P339 WeakPolarHBondContact O-CD 3.21Å
338	I	95.8	Very high	93.1	Very high	2 Å²	2	43 Å²	43	1%	0.01	25%	0.248	C	C	.	.			trans	-124.8	86.9	-175.3	-52.7	173.5	0	0	0	108	L209 L247 L274 P329 V331 D332 G333 D340 M345	L209-I338 HydrophobicContact CD1-CD1 3.64Å; L209-I338 HydrophobicContact CD1-CG1 4.14Å; L247-I338 HydrophobicContact CD1-CD1 3.88Å; L247-I338 HydrophobicContact CD2-CD1 3.78Å; L247-I338 HydrophobicContact CD2-CG1 4.22Å; L247-I338 HydrophobicContact CD2-CG2 4.46Å; L247-I338 HydrophobicContact CG-CD1 4.28Å; L274-I338 HydrophobicContact CD1-CD1 3.67Å; L274-I338 HydrophobicContact CD1-CG2 4.29Å; P329-I338 HydrophobicContact CB-CD1 3.86Å; V331-I338 WeakPolarHBondContact CG1-O 3.4Å; V331-I338 HydrophobicContact CG2-CG2 4.21Å; D332-I338 PolarHBondContact N-O 3.04Å; D332-I338 VanDerWaalsContact N-O 3.12Å; D332-I338 VanDerWaalsContact OD1-C 3.31Å; D332-I338 WeakPolarHBondContact OD1-CA 3.44Å; D332-I338 PolarHBondContact OD1-N 3.32Å; D332-I338 VanDerWaalsContact OD1-O 3.05Å; G333-I338 PolarHBondContact N-O 2.76Å; I338-D340 VanDerWaalsContact C-N 3.3Å; I338-D340 WeakPolarHBondContact CG2-O 3.37Å; I338-D340 PolarHBondContact O-N 2.94Å; I338-M345 HydrophobicContact CG2-SD 4.42Å
339	P	93.8	Very high	92.4	Very high	36 Å²	36	45.1 Å²	45.1	23%	0.234	27%	0.271	C	S	.	.			trans	-66.4	-26.6	-174.3	-24.2	34.7	0	0	0	115.8	P252 G333 V337	P252-P339 HydrophobicContact CG-CG 3.99Å; G333-P339 WeakPolarHBondContact O-CA 3.21Å; V337-P339 WeakPolarHBondContact O-CD 3.21Å
340	D	94.4	Very high	91.5	Very high	64 Å²	64	49.2 Å²	49.2	34%	0.342	30%	0.296	S	S	.	.	S	Bend	trans	-154.6	174.1	-179	-160.5	-14.7	0	0	0	108.9	I338 N344 M345	I338-D340 VanDerWaalsContact C-N 3.3Å; I338-D340 WeakPolarHBondContact CG2-O 3.37Å; I338-D340 PolarHBondContact O-N 2.94Å; D340-N344 HydrophobicContact CB-CB 4.33Å; D340-N344 PolarHBondContact OD1-ND2 2.78Å; D340-N344 VanDerWaalsContact OD2-CB 3.27Å; D340-N344 WeakPolarHBondContact OD2-CB 3.32Å; D340-N344 PolarHBondContact OD2-ND2 2.6Å; D340-M345 HydrophobicContact CB-CG 4.08Å
341	Y	93.4	Very high	90.8	Very high	109 Å²	109	49.3 Å²	49.3	43%	0.427	30%	0.297	S	S	.	.			trans	-59.5	140.5	173.5	-71.1	-83.2	0	0	0	111.4	L274 V331 E343 N344 M345	L274-Y341 HydrophobicContact CD2-CD1 3.92Å; L274-Y341 HydrophobicContact CD2-CE1 4.33Å; V331-Y341 HydrophobicContact CG2-CD1 4.03Å; V331-Y341 HydrophobicContact CG2-CD2 4.41Å; V331-Y341 HydrophobicContact CG2-CE1 4.02Å; V331-Y341 HydrophobicContact CG2-CE2 4.4Å; V331-Y341 HydrophobicContact CG2-CG 4.23Å; Y341-E343 VanDerWaalsContact C-N 3.29Å; Y341-E343 PolarHBondContact O-N 2.67Å; Y341-E343 VanDerWaalsContact O-N 3.15Å; Y341-N344 WeakPolarHBondContact O-CA 3.41Å; Y341-N344 WeakPolarHBondContact O-CB 3.16Å; Y341-N344 PolarHBondContact O-N 3.28Å; Y341-M345 PolarHBondContact O-N 3.3Å
342	P	93.8	Very high	90.6	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-48.4	-42.3	-177.9	-33.4	37.1	0	0	0	115.4	L247 M250 A268 F269 L274 N344 M345 L346	L247-P342 HydrophobicContact CD2-CG 4.16Å; M250-P342 HydrophobicContact CE-CB 3.87Å; M250-P342 HydrophobicContact CE-CG 4.32Å; M250-P342 HydrophobicContact SD-CB 3.89Å; A268-P342 HydrophobicContact CB-CB 4.23Å; A268-P342 HydrophobicContact CB-CG 3.74Å; F269-P342 HydrophobicContact CD2-CB 3.97Å; F269-P342 HydrophobicContact CE2-CB 3.45Å; F269-P342 VanDerWaalsContact CE2-CB 3.45Å; F269-P342 HydrophobicContact CZ-CB 4.29Å; L274-P342 VanDerWaalsContact CD2-CD 3.47Å; L274-P342 HydrophobicContact CD2-CG 4.06Å; P342-N344 VanDerWaalsContact C-N 3.32Å; P342-N344 PolarHBondContact O-N 3.01Å; P342-M345 PolarHBondContact O-N 3.27Å; P342-L346 WeakPolarHBondContact O-CG 3.4Å; P342-L346 PolarHBondContact O-N 3.1Å
343	E	90.6	Very high	90.4	Very high	53 Å²	53	54.7 Å²	54.7	25%	0.248	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-40.2	175.9	-74.5	85.9	165.3	0	0	112.7	F269 Y341 S347 R475	F269-E343 HydrophobicContact CD1-CG 4.49Å; F269-E343 HydrophobicContact CE1-CG 3.68Å; F269-E343 HydrophobicContact CZ-CG 3.8Å; Y341-E343 VanDerWaalsContact C-N 3.29Å; Y341-E343 PolarHBondContact O-N 2.67Å; Y341-E343 VanDerWaalsContact O-N 3.15Å; E343-S347 VanDerWaalsContact O-CB 3.27Å; E343-S347 WeakPolarHBondContact O-CB 3.47Å; E343-S347 PolarHBondContact O-N 2.87Å; E343-S347 PolarHBondContact O-OG 2.92Å; E343-R475 IonicContact OE1-CZ 3.94Å; E343-R475 IonicContact OE1-NE 3.83Å; E343-R475 IonicContact OE1-NH1 3.51Å; E343-R475 PolarHBondContact OE1-NH1 2.99Å
344	N	92.5	Very high	90.6	Very high	72 Å²	72	54.5 Å²	54.5	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-71.4	-41.4	178	-65.4	-16.1	0	0	0	110.7	D340 Y341 P342 L346 S347 S348	D340-N344 HydrophobicContact CB-CB 4.33Å; D340-N344 PolarHBondContact OD1-ND2 2.78Å; D340-N344 VanDerWaalsContact OD2-CB 3.27Å; D340-N344 WeakPolarHBondContact OD2-CB 3.32Å; D340-N344 PolarHBondContact OD2-ND2 2.6Å; Y341-N344 WeakPolarHBondContact O-CA 3.41Å; Y341-N344 WeakPolarHBondContact O-CB 3.16Å; Y341-N344 PolarHBondContact O-N 3.28Å; P342-N344 VanDerWaalsContact C-N 3.32Å; P342-N344 PolarHBondContact O-N 3.01Å; N344-L346 VanDerWaalsContact C-N 3.32Å; N344-L346 PolarHBondContact O-N 3.19Å; N344-S347 WeakPolarHBondContact CA-OG 3.45Å; N344-S347 PolarHBondContact O-N 3.28Å; N344-S347 PolarHBondContact O-OG 3.42Å; N344-S348 WeakPolarHBondContact O-CB 3.43Å; N344-S348 PolarHBondContact O-N 3.33Å; N344-S348 PolarHBondContact O-OG 2.69Å
345	M	93.3	Very high	90.9	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-40	177.3	-63.8	-178.4	71.3	0	0	112.3	M250 I338 D340 Y341 P342 S348 V350 A351	M250-M345 HydrophobicContact CB-CE 3.77Å; M250-M345 HydrophobicContact CB-SD 4.24Å; M250-M345 WeakPolarHBondContact O-CE 3.36Å; I338-M345 HydrophobicContact CG2-SD 4.42Å; D340-M345 HydrophobicContact CB-CG 4.08Å; Y341-M345 PolarHBondContact O-N 3.3Å; P342-M345 PolarHBondContact O-N 3.27Å; M345-S348 PolarHBondContact O-OG 3.17Å; M345-V350 PolarHBondContact O-N 3.37Å; M345-A351 WeakPolarHBondContact O-CB 3.31Å; M345-A351 PolarHBondContact O-N 2.9Å
346	L	91.7	Very high	91.2	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-74.5	-42.3	176.8	-71	162.1	0	0	0	111.9	M250 F269 P342 N344 G349 A351 L476 Y480 L483	M250-L346 HydrophobicContact CG-CD2 4.32Å; M250-L346 HydrophobicContact CG-CG 4.42Å; M250-L346 HydrophobicContact SD-CD1 3.73Å; M250-L346 HydrophobicContact SD-CD2 4.22Å; M250-L346 HydrophobicContact SD-CG 3.75Å; F269-L346 HydrophobicContact CE2-CD1 3.71Å; F269-L346 HydrophobicContact CZ-CD1 3.58Å; P342-L346 WeakPolarHBondContact O-CG 3.4Å; P342-L346 PolarHBondContact O-N 3.1Å; N344-L346 VanDerWaalsContact C-N 3.32Å; N344-L346 PolarHBondContact O-N 3.19Å; L346-G349 PolarHBondContact O-N 3.16Å; L346-A351 HydrophobicContact CD2-CB 3.67Å; L346-A351 HydrophobicContact CG-CB 4.16Å; L346-L476 HydrophobicContact CD1-CD1 4.33Å; L346-Y480 HydrophobicContact CD1-CD2 4.33Å; L346-Y480 HydrophobicContact CD1-CE2 4.02Å; L346-Y480 HydrophobicContact CD2-CD2 3.93Å; L346-Y480 HydrophobicContact CD2-CE1 4.42Å; L346-Y480 HydrophobicContact CD2-CE2 3.54Å; L346-Y480 HydrophobicContact CG-CE2 4.46Å; L346-L483 HydrophobicContact CB-CD1 4.31Å; L346-L483 HydrophobicContact CD2-CD1 3.47Å; L346-L483 VanDerWaalsContact CD2-CD1 3.47Å; L346-L483 HydrophobicContact CG-CD1 4.5Å; L346-L483 WeakPolarHBondContact O-CD2 3.42Å
347	S	88.4	Confident	91.4	Very high	99 Å²	99	42.7 Å²	42.7	69%	0.692	24%	0.241	S	C	*	.	H	α-helix	trans	-74.1	-32.2	-177.6	57	0	0	0	0	114.1	E343 N344 G349	E343-S347 VanDerWaalsContact O-CB 3.27Å; E343-S347 WeakPolarHBondContact O-CB 3.47Å; E343-S347 PolarHBondContact O-N 2.87Å; E343-S347 PolarHBondContact O-OG 2.92Å; N344-S347 WeakPolarHBondContact CA-OG 3.45Å; N344-S347 PolarHBondContact O-N 3.28Å; N344-S347 PolarHBondContact O-OG 3.42Å; S347-G349 PolarHBondContact O-N 3.14Å
348	S	86.2	Confident	91.6	Very high	76 Å²	76	42.7 Å²	42.7	53%	0.531	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.7	175.9	60	0	0	0	0	113.7	N344 M345 V350	N344-S348 WeakPolarHBondContact O-CB 3.43Å; N344-S348 PolarHBondContact O-N 3.33Å; N344-S348 PolarHBondContact O-OG 2.69Å; M345-S348 PolarHBondContact O-OG 3.17Å; S348-V350 VanDerWaalsContact C-N 3.27Å; S348-V350 PolarHBondContact O-N 2.82Å; S348-V350 WeakPolarHBondContact OG-CG2 3.37Å
349	G	79.2	Confident	91.6	Very high	48 Å²	48	42.7 Å²	42.7	50%	0.495	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	9.4	-176	0	0	0	0	0	114.5	L346 S347 A351	L346-G349 PolarHBondContact O-N 3.16Å; S347-G349 PolarHBondContact O-N 3.14Å; G349-A351 VanDerWaalsContact C-N 3.31Å
350	V	78.1	Confident	91.8	Very high	87 Å²	87	41 Å²	41	53%	0.527	23%	0.23	S	C	.	.			trans	-65.7	-37	172.5	172.7	0	0	0	0	110.7	M345 S348	M345-V350 PolarHBondContact O-N 3.37Å; S348-V350 VanDerWaalsContact C-N 3.27Å; S348-V350 PolarHBondContact O-N 2.82Å; S348-V350 WeakPolarHBondContact OG-CG2 3.37Å
351	A	82.8	Confident	91.8	Very high	4 Å²	4	38 Å²	38	3%	0.033	21%	0.214	C	C	.	.	S	Bend	trans	-69.6	142	177.4	0	0	0	0	0	112.5	M250 M345 L346 G349	M250-A351 HydrophobicContact CB-CB 4.32Å; M250-A351 HydrophobicContact CG-CB 4.02Å; M345-A351 WeakPolarHBondContact O-CB 3.31Å; M345-A351 PolarHBondContact O-N 2.9Å; L346-A351 HydrophobicContact CD2-CB 3.67Å; L346-A351 HydrophobicContact CG-CB 4.16Å; G349-A351 VanDerWaalsContact C-N 3.31Å
352	R	89.8	Confident	91.8	Very high	44 Å²	44	33.3 Å²	33.3	17%	0.166	20%	0.198	C	C	.	.			trans	-72.6	147.3	179.6	-66.3	-179.4	-62	-93.7	-9.6	112.1	L248 A249 S251 T254 L354	L248-R352 PolarHBondContact O-NH2 3.25Å; A249-R352 PolarHBondContact O-NH2 3.11Å; S251-R352 PolarHBondContact O-NH1 2.98Å; S251-R352 PolarHBondContact O-NH2 2.99Å; T254-R352 PolarHBondContact OG1-NH2 3.01Å; R352-L354 VanDerWaalsContact C-N 3.28Å; R352-L354 HydrophobicContact CB-CD2 4.36Å; R352-L354 HydrophobicContact CB-CG 4.01Å; R352-L354 PolarHBondContact O-N 2.82Å
353	K	91.7	Very high	91.6	Very high	143 Å²	143	36 Å²	36	62%	0.622	21%	0.21	S	C	*	.			trans	-80.4	67.9	175.9	-59.1	-175	-179.8	-162.7	0	111.8	L483	K353-L483 VanDerWaalsContact CD-O 3.3Å; K353-L483 WeakPolarHBondContact CD-O 3.41Å; K353-L483 WeakPolarHBondContact CE-O 3.48Å; K353-L483 HydrophobicContact CG-CB 4.45Å; K353-L483 PolarHBondContact NZ-O 3.13Å
354	L	95.1	Very high	91.6	Very high	19 Å²	19	33.5 Å²	33.5	10%	0.099	20%	0.198	C	C	.	.			trans	-88.4	141.1	179.2	-60.4	-179.6	0	0	0	111.4	A249 L258 V261 R352 I356 A485	A249-L354 HydrophobicContact CB-CD1 4.24Å; L258-L354 HydrophobicContact CD1-CD1 4.38Å; L258-L354 HydrophobicContact CG-CD1 4.06Å; V261-L354 HydrophobicContact CG2-CD1 4.48Å; R352-L354 VanDerWaalsContact C-N 3.28Å; R352-L354 HydrophobicContact CB-CD2 4.36Å; R352-L354 HydrophobicContact CB-CG 4.01Å; R352-L354 PolarHBondContact O-N 2.82Å; L354-I356 PolarHBondContact O-N 3.15Å; L354-A485 WeakPolarHBondContact O-CB 3.18Å
355	P	97.6	Very high	91.3	Very high	26 Å²	26	30.1 Å²	30.1	17%	0.169	18%	0.18	C	C	.	.			trans	-58.4	132	166.7	-22.5	33.2	0	0	0	111.3	H259 R260 V261 P486 F551	H259-P355 WeakPolarHBondContact O-CD 3.38Å; R260-P355 WeakPolarHBondContact CA-O 3.49Å; R260-P355 HydrophobicContact CG-CB 4.21Å; R260-P355 HydrophobicContact CG-CG 4.26Å; V261-P355 PolarHBondContact N-O 3Å; V261-P355 VanDerWaalsContact N-O 3.09Å; P355-P486 WeakPolarHBondContact CA-O 3.5Å; P355-P486 HydrophobicContact CB-CB 4.19Å; P355-P486 HydrophobicContact CB-CG 4.31Å; P355-P486 HydrophobicContact CG-CG 4.17Å; P355-F551 HydrophobicContact CB-CE2 4.14Å; P355-F551 HydrophobicContact CB-CZ 3.94Å
356	I	97.9	Very high	90.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.8	177.5	63.4	158.1	0	0	0	111.8	V261 L354 V358 L476 Y480 P486 V487 Y488	V261-I356 HydrophobicContact CB-CG2 4.21Å; V261-I356 WeakPolarHBondContact O-CA 3.15Å; L354-I356 PolarHBondContact O-N 3.15Å; I356-V358 HydrophobicContact CD1-CG1 4.47Å; I356-L476 HydrophobicContact CD1-CD2 4.42Å; I356-Y480 HydrophobicContact CD1-CD1 4.04Å; I356-Y480 HydrophobicContact CD1-CD2 3.67Å; I356-Y480 HydrophobicContact CD1-CE2 4.34Å; I356-Y480 HydrophobicContact CD1-CG 3.49Å; I356-Y480 VanDerWaalsContact CD1-CG 3.49Å; I356-Y480 HydrophobicContact CG1-CD1 4.07Å; I356-Y480 HydrophobicContact CG1-CG 3.99Å; I356-Y480 HydrophobicContact CG2-CD1 3.72Å; I356-Y480 HydrophobicContact CG2-CE1 3.55Å; I356-Y480 HydrophobicContact CG2-CE2 4.49Å; I356-Y480 HydrophobicContact CG2-CG 4.28Å; I356-P486 PolarHBondContact N-O 2.99Å; I356-V487 HydrophobicContact CD1-CG1 4Å; I356-V487 HydrophobicContact CD1-CG2 4.04Å; I356-V487 HydrophobicContact CG1-CB 4.18Å; I356-V487 HydrophobicContact CG1-CG1 4.01Å; I356-V487 HydrophobicContact CG1-CG2 3.77Å; I356-V487 WeakPolarHBondContact O-CA 3.35Å; I356-Y488 PolarHBondContact O-N 2.83Å
357	L	98.5	Very high	89.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.5	164.9	-172.4	165.6	0	0	0	106.5	V261 I262 L263 Y488 Y490 L548 F551 P557 W567	V261-L357 PolarHBondContact O-N 3.45Å; I262-L357 CarbonylContact C-O 3.6Å; I262-L357 WeakPolarHBondContact CA-O 3.43Å; I262-L357 HydrophobicContact CG1-CB 4.3Å; I262-L357 HydrophobicContact CG2-CD2 4.3Å; L263-L357 PolarHBondContact N-O 3.01Å; L357-Y488 WeakPolarHBondContact CA-O 3.27Å; L357-Y490 HydrophobicContact CD2-CD1 3.54Å; L357-Y490 HydrophobicContact CD2-CE1 3.66Å; L357-L548 HydrophobicContact CD1-CD2 3.95Å; L357-L548 HydrophobicContact CD2-CD2 4.23Å; L357-F551 HydrophobicContact CB-CD1 4.09Å; L357-F551 HydrophobicContact CB-CD2 4.41Å; L357-F551 HydrophobicContact CB-CE1 3.9Å; L357-F551 HydrophobicContact CB-CE2 4.25Å; L357-F551 HydrophobicContact CB-CG 4.32Å; L357-F551 HydrophobicContact CB-CZ 3.98Å; L357-F551 HydrophobicContact CD1-CB 4.13Å; L357-F551 HydrophobicContact CD1-CD1 4.34Å; L357-F551 HydrophobicContact CD1-CD2 4.43Å; L357-F551 HydrophobicContact CD1-CG 4.05Å; L357-P557 HydrophobicContact CD1-CG 4.03Å; L357-W567 HydrophobicContact CD1-CH2 3.8Å; L357-W567 HydrophobicContact CD1-CZ3 4.02Å; L357-W567 HydrophobicContact CD2-CH2 4Å; L357-W567 HydrophobicContact CG-CH2 3.84Å; L357-W567 HydrophobicContact CG-CZ2 4.36Å
358	V	98.2	Very high	88.9	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.3	-178.6	58.7	0	0	0	0	109.5	L263 I356 A473 L476 A477 Y488 L489 Y490	L263-V358 HydrophobicContact CB-CB 4.13Å; L263-V358 HydrophobicContact CB-CG2 4.02Å; L263-V358 HydrophobicContact CD1-CB 4.48Å; L263-V358 HydrophobicContact CD1-CG2 4.47Å; L263-V358 WeakPolarHBondContact O-CA 3.36Å; I356-V358 HydrophobicContact CD1-CG1 4.47Å; V358-A473 HydrophobicContact CG2-CB 4.06Å; V358-L476 HydrophobicContact CG2-CD2 4.37Å; V358-A477 HydrophobicContact CG1-CB 4.23Å; V358-Y488 PolarHBondContact N-O 2.92Å; V358-L489 HydrophobicContact CG1-CD1 3.91Å; V358-L489 CarbonylContact O-C 3.47Å; V358-L489 VanDerWaalsContact O-CA 3.25Å; V358-L489 WeakPolarHBondContact O-CA 3.36Å; V358-Y490 WeakPolarHBondContact O-CD1 3.17Å; V358-Y490 PolarHBondContact O-N 2.92Å
359	G	97.4	Very high	88	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-177.4	170.2	0	0	0	0	0	112.3	L263 S265 Y490	L263-G359 PolarHBondContact O-N 2.81Å; L263-G359 VanDerWaalsContact O-N 3.12Å; S265-G359 WeakPolarHBondContact CA-O 3.36Å; S265-G359 PolarHBondContact N-O 3.17Å; G359-Y490 VanDerWaalsContact CA-CD1 3.45Å; G359-Y490 WeakPolarHBondContact CA-O 3.44Å; G359-Y490 VanDerWaalsContact N-CE1 3.33Å
360	T	97	Very high	87.2	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162.6	-172.9	61.5	0	0	0	0	109.6	E364 H470 A473 Y490 S491 F492 F590	T360-E364 WeakPolarHBondContact CA-OE1 3.21Å; T360-E364 WeakPolarHBondContact CB-OE1 3.38Å; T360-H470 PolarHBondContact OG1-CD2 2.92Å; T360-A473 HydrophobicContact CG2-CB 3.88Å; T360-Y490 PolarHBondContact N-O 2.82Å; T360-S491 CarbonylContact O-C 3.54Å; T360-S491 WeakPolarHBondContact O-CA 3.46Å; T360-F492 PolarHBondContact O-N 3.37Å; T360-F590 HydrophobicContact CG2-CZ 4.33Å; T360-F590 VanDerWaalsContact OG1-CZ 3.27Å; T360-F590 WeakPolarHBondContact OG1-CZ 3.4Å
361	A	95	Very high	86.1	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	150.3	158.1	0	0	0	0	0	110.1	H363 E364 H470 V509 F510	A361-H363 PolarHBondContact O-N 2.78Å; A361-E364 HydrophobicContact CB-CG 4.21Å; A361-E364 PolarHBondContact N-OE1 2.94Å; A361-E364 WeakPolarHBondContact O-CG 3.26Å; A361-H470 PolarHBondContact O-NE2 2.9Å; A361-V509 HydrophobicContact CB-CG1 4.07Å; A361-V509 VanDerWaalsContact CB-O 3.28Å; A361-V509 WeakPolarHBondContact CB-O 3.5Å; A361-F510 WeakPolarHBondContact CB-O 3.45Å
362	S	93.4	Very high	84.6	Confident	12 Å²	12	17.1 Å²	17.1	8%	0.084	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.3	179.6	49.2	0	0	0	0	113.5	H470 F492 D493 V509 H591	S362-H470 PolarHBondContact O-CE1 3.47Å; S362-F492 PolarHBondContact N-O 2.95Å; S362-F492 PolarHBondContact OG-O 3.34Å; S362-D493 WeakPolarHBondContact CB-OD1 3.48Å; S362-V509 VanDerWaalsContact OG-CB 3.3Å; S362-V509 WeakPolarHBondContact OG-CB 3.38Å; S362-V509 VanDerWaalsContact OG-CG2 3.29Å; S362-V509 WeakPolarHBondContact OG-CG2 3.26Å; S362-H591 PolarHBondContact O-CE1 3.35Å
363	H	90.1	Very high	82.7	Confident	59 Å²	59	23 Å²	23	27%	0.273	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.1	59.5	-178.6	-54.9	82.2	0	0	0	110.8	A361 S365 A366 M461 V509 F510	A361-H363 PolarHBondContact O-N 2.78Å; H363-S365 PolarHBondContact O-N 3.37Å; H363-A366 HydrophobicContact CB-CB 3.8Å; H363-A366 WeakPolarHBondContact O-CB 3.39Å; H363-A366 PolarHBondContact O-N 2.92Å; H363-M461 HydrophobicContact CB-SD 4.45Å; H363-V509 CarbonylContact C-O 3.55Å; H363-V509 VanDerWaalsContact CA-O 3.25Å; H363-V509 WeakPolarHBondContact CA-O 3.42Å; H363-V509 PolarHBondContact N-O 2.99Å; H363-F510 WeakPolarHBondContact O-CA 3.29Å
364	E	90.5	Very high	80.7	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	-42.8	-175.8	-66.3	-83.9	-165.6	0	0	113.8	S265 T360 A361 A366 S465 Y469 H511	S265-E364 WeakPolarHBondContact CB-OE1 3.4Å; S265-E364 PolarHBondContact OG-OE1 2.77Å; S265-E364 VanDerWaalsContact OG-OE1 3.13Å; T360-E364 WeakPolarHBondContact CA-OE1 3.21Å; T360-E364 WeakPolarHBondContact CB-OE1 3.38Å; A361-E364 HydrophobicContact CB-CG 4.21Å; A361-E364 PolarHBondContact N-OE1 2.94Å; A361-E364 WeakPolarHBondContact O-CG 3.26Å; E364-A366 PolarHBondContact O-N 3.04Å; E364-S465 PolarHBondContact N-OG 3.42Å; E364-Y469 HydrophobicContact CB-CD2 3.38Å; E364-Y469 HydrophobicContact CB-CE2 3.81Å; E364-Y469 HydrophobicContact CB-CG 3.85Å; E364-Y469 HydrophobicContact CG-CD1 4.28Å; E364-Y469 HydrophobicContact CG-CD2 3.73Å; E364-Y469 HydrophobicContact CG-CE2 4.45Å; E364-Y469 HydrophobicContact CG-CG 3.62Å; E364-H511 VanDerWaalsContact O-CB 3.25Å; E364-H511 WeakPolarHBondContact O-CB 3.28Å; E364-H511 PolarHBondContact O-N 2.86Å; E364-H511 WeakPolarHBondContact OE2-CA 3.48Å; E364-H511 VanDerWaalsContact OE2-CB 3.27Å; E364-H511 WeakPolarHBondContact OE2-CB 3.3Å; E364-H511 IonicContact OE2-CE1 3.02Å; E364-H511 IonicContact OE2-CG 2.6Å; E364-H511 IonicContact OE2-ND1 3.59Å; E364-H511 PolarHBondContact OE2-ND1 3.42Å
365	S	85.7	Confident	78.4	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	3.2	-177	-54	0	0	0	0	114.8	H363 L367 H368 F369 F464 S465	H363-S365 PolarHBondContact O-N 3.37Å; S365-L367 VanDerWaalsContact C-N 3.3Å; S365-L367 PolarHBondContact O-N 3.43Å; S365-H368 WeakPolarHBondContact O-CB 3.46Å; S365-H368 PolarHBondContact O-N 2.8Å; S365-F369 WeakPolarHBondContact O-CD2 3.39Å; S365-F369 PolarHBondContact O-N 3.32Å; S365-F464 WeakPolarHBondContact OG-CB 3.2Å; S365-S465 WeakPolarHBondContact CB-OG 3.21Å; S365-S465 PolarHBondContact N-OG 3.39Å; S365-S465 PolarHBondContact OG-N 2.81Å; S365-S465 PolarHBondContact OG-OG 3.15Å
366	A	81	Confident	75.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-38.6	-175.3	0	0	0	0	0	113.2	H363 E364 H368 F369 G370 M461 F510	H363-A366 HydrophobicContact CB-CB 3.8Å; H363-A366 WeakPolarHBondContact O-CB 3.39Å; H363-A366 PolarHBondContact O-N 2.92Å; E364-A366 PolarHBondContact O-N 3.04Å; A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 3.02Å; A366-F369 PolarHBondContact O-N 3.28Å; A366-G370 PolarHBondContact O-N 2.89Å; A366-M461 WeakPolarHBondContact CA-SD 3.25Å; A366-M461 HydrophobicContact CB-SD 3.57Å; A366-M461 VanDerWaalsContact CB-SD 3.57Å; A366-F510 HydrophobicContact CB-CB 4.1Å
367	L	72.2	Confident	73.3	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.8	-41.8	175.3	-165.2	67.3	0	0	0	110.5	S365 F369 M371 I383 I387 W506 F510 F525	S365-L367 VanDerWaalsContact C-N 3.3Å; S365-L367 PolarHBondContact O-N 3.43Å; L367-F369 PolarHBondContact O-N 3.5Å; L367-M371 HydrophobicContact CD1-CB 4.03Å; L367-M371 HydrophobicContact CD1-CG 4.22Å; L367-M371 HydrophobicContact CD1-SD 3.41Å; L367-M371 WeakPolarHBondContact CD1-SD 3.27Å; L367-M371 HydrophobicContact CG-CB 4.21Å; L367-M371 HydrophobicContact CG-SD 3.9Å; L367-M371 VanDerWaalsContact O-CA 3.25Å; L367-M371 WeakPolarHBondContact O-CA 3.4Å; L367-M371 WeakPolarHBondContact O-CB 3.45Å; L367-M371 PolarHBondContact O-N 3.37Å; L367-I383 HydrophobicContact CD2-CD1 3.85Å; L367-I383 HydrophobicContact CD2-CG2 4.34Å; L367-I383 HydrophobicContact CG-CD1 4.37Å; L367-I387 HydrophobicContact CD2-CG2 3.8Å; L367-W506 HydrophobicContact CD1-CH2 4.15Å; L367-W506 HydrophobicContact CD1-CZ3 4.36Å; L367-F510 HydrophobicContact CB-CB 3.69Å; L367-F510 HydrophobicContact CB-CD2 3.99Å; L367-F510 HydrophobicContact CB-CG 3.89Å; L367-F510 HydrophobicContact CD1-CD1 4.32Å; L367-F510 HydrophobicContact CD1-CD2 4.11Å; L367-F510 HydrophobicContact CD1-CE1 4.47Å; L367-F510 HydrophobicContact CD1-CE2 4.3Å; L367-F510 HydrophobicContact CD1-CG 4.15Å; L367-F510 HydrophobicContact CD1-CZ 4.49Å; L367-F510 HydrophobicContact CD2-CD2 3.89Å; L367-F510 HydrophobicContact CD2-CE2 4.21Å; L367-F510 HydrophobicContact CG-CD2 4.25Å; L367-F510 HydrophobicContact CG-CG 4.46Å; L367-F525 HydrophobicContact CD1-CE1 3.77Å; L367-F525 HydrophobicContact CD1-CE2 4.16Å; L367-F525 HydrophobicContact CD1-CZ 3.49Å; L367-F525 VanDerWaalsContact CD1-CZ 3.49Å
368	H	69.7	Low	70.9	Confident	11 Å²	11	32.3 Å²	32.3	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-39.4	-178	-53.4	86.7	0	0	0	113.1	S365 A366 Y372 E389 C391 I394	S365-H368 WeakPolarHBondContact O-CB 3.46Å; S365-H368 PolarHBondContact O-N 2.8Å; A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 3.02Å; H368-Y372 WeakPolarHBondContact O-CB 3.44Å; H368-Y372 PolarHBondContact O-N 3.4Å; H368-E389 PolarHBondContact NE2-O 2.75Å; H368-C391 VanDerWaalsContact CD2-CA 3.48Å; H368-C391 WeakPolarHBondContact CD2-CA 3.48Å; H368-C391 PolarHBondContact CD2-SG 3.48Å; H368-C391 WeakPolarHBondContact NE2-CA 3.42Å; H368-C391 PolarHBondContact NE2-SG 3.17Å; H368-I394 HydrophobicContact CB-CB 4.06Å; H368-I394 HydrophobicContact CB-CD1 4.04Å; H368-I394 HydrophobicContact CB-CG2 3.49Å; H368-I394 VanDerWaalsContact CB-CG2 3.49Å; H368-I394 VanDerWaalsContact CG-CD1 3.42Å; H368-I394 WeakPolarHBondContact ND1-CD1 3.23Å
369	F	67.9	Low	68.3	Low	12 Å²	12	33.2 Å²	33.2	5%	0.053	16%	0.158	C	C	.	.	H	α-helix	trans	-76	-49.3	-179.4	-83.3	-101	0	0	0	112.4	S365 A366 L367 L398 F409 L460 M461 F464	S365-F369 WeakPolarHBondContact O-CD2 3.39Å; S365-F369 PolarHBondContact O-N 3.32Å; A366-F369 PolarHBondContact O-N 3.28Å; L367-F369 PolarHBondContact O-N 3.5Å; F369-L398 HydrophobicContact CE1-CD2 4.05Å; F369-L398 HydrophobicContact CZ-CD2 3.97Å; F369-F409 AromaticContact CD1-CE2 3.91Å; F369-F409 HydrophobicContact CD1-CE2 3.91Å; F369-F409 HydrophobicContact CD1-CZ 4.22Å; F369-F409 AromaticContact CE1-CE2 3.7Å; F369-F409 HydrophobicContact CE1-CE2 3.7Å; F369-F409 AromaticContact CE1-CZ 3.98Å; F369-F409 HydrophobicContact CE1-CZ 3.98Å; F369-L460 HydrophobicContact CE1-CB 3.8Å; F369-L460 HydrophobicContact CZ-CB 3.86Å; F369-M461 HydrophobicContact CD1-CB 4.24Å; F369-M461 HydrophobicContact CD2-CB 3.84Å; F369-M461 HydrophobicContact CD2-CG 4.07Å; F369-M461 HydrophobicContact CE1-CB 4.43Å; F369-M461 HydrophobicContact CE2-CB 4.07Å; F369-M461 HydrophobicContact CG-CB 3.94Å; F369-M461 HydrophobicContact CG-CG 4.34Å; F369-M461 HydrophobicContact CZ-CB 4.35Å; F369-F464 HydrophobicContact CE2-CB 4.47Å; F369-F464 AromaticContact CE2-CD2 3.52Å; F369-F464 HydrophobicContact CE2-CD2 3.52Å; F369-F464 HydrophobicContact CE2-CE2 4.05Å; F369-F464 HydrophobicContact CE2-CG 4.24Å; F369-F464 AromaticContact CZ-CD2 3.49Å; F369-F464 HydrophobicContact CZ-CD2 3.49Å; F369-F464 VanDerWaalsContact CZ-CD2 3.49Å; F369-F464 AromaticContact CZ-CE2 3.69Å; F369-F464 HydrophobicContact CZ-CE2 3.69Å
370	G	61.6	Low	65.9	Low	4 Å²	4	34.4 Å²	34.4	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-81.3	-34	-174.4	0	0	0	0	0	113.6	A366	A366-G370 PolarHBondContact O-N 2.89Å
371	M	54.9	Low	63.7	Low	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-81.2	-14.4	179.5	-145.2	-176.8	138.7	0	0	111.6	L367 R373 K374 F375 I383 W506 F525	L367-M371 HydrophobicContact CD1-CB 4.03Å; L367-M371 HydrophobicContact CD1-CG 4.22Å; L367-M371 HydrophobicContact CD1-SD 3.41Å; L367-M371 WeakPolarHBondContact CD1-SD 3.27Å; L367-M371 HydrophobicContact CG-CB 4.21Å; L367-M371 HydrophobicContact CG-SD 3.9Å; L367-M371 VanDerWaalsContact O-CA 3.25Å; L367-M371 WeakPolarHBondContact O-CA 3.4Å; L367-M371 WeakPolarHBondContact O-CB 3.45Å; L367-M371 PolarHBondContact O-N 3.37Å; M371-R373 PolarHBondContact O-N 2.67Å; M371-K374 HydrophobicContact CG-CB 3.78Å; M371-K374 CarbonylContact O-C 3.58Å; M371-K374 VanDerWaalsContact O-CA 3.3Å; M371-K374 WeakPolarHBondContact O-CA 3.33Å; M371-K374 PolarHBondContact O-N 2.89Å; M371-F375 HydrophobicContact CB-CD2 3.54Å; M371-F375 HydrophobicContact CB-CE2 3.81Å; M371-F375 HydrophobicContact CE-CD2 3.49Å; M371-F375 VanDerWaalsContact CE-CD2 3.49Å; M371-F375 HydrophobicContact CE-CE2 3.5Å; M371-F375 VanDerWaalsContact CE-CE2 3.5Å; M371-F375 HydrophobicContact CE-CG 4.3Å; M371-F375 HydrophobicContact CE-CZ 4.33Å; M371-F375 HydrophobicContact CG-CD2 3.5Å; M371-F375 VanDerWaalsContact CG-CD2 3.5Å; M371-F375 HydrophobicContact CG-CE2 3.83Å; M371-F375 WeakPolarHBondContact O-CB 3.12Å; M371-F375 PolarHBondContact O-N 3.42Å; M371-F375 HydrophobicContact SD-CD2 3.65Å; M371-F375 HydrophobicContact SD-CE2 3.39Å; M371-F375 WeakPolarHBondContact SD-CE2 3.3Å; M371-F375 HydrophobicContact SD-CZ 4.49Å; M371-I383 HydrophobicContact CE-CD1 3.31Å; M371-I383 HydrophobicContact CE-CG1 3.83Å; M371-I383 HydrophobicContact SD-CD1 3.35Å; M371-I383 WeakPolarHBondContact SD-CD1 3.47Å; M371-I383 HydrophobicContact SD-CG1 4.18Å; M371-W506 HydrophobicContact CB-CH2 4.2Å; M371-W506 HydrophobicContact CB-CZ2 4.47Å; M371-F525 HydrophobicContact CE-CB 3.89Å; M371-F525 HydrophobicContact CE-CD1 3.63Å; M371-F525 HydrophobicContact CE-CE1 4.42Å; M371-F525 HydrophobicContact CE-CG 3.94Å; M371-F525 HydrophobicContact SD-CB 4.31Å; M371-F525 HydrophobicContact SD-CD1 3.47Å; M371-F525 WeakPolarHBondContact SD-CD1 3.4Å; M371-F525 HydrophobicContact SD-CD2 4.33Å; M371-F525 HydrophobicContact SD-CE1 3.75Å; M371-F525 HydrophobicContact SD-CG 3.78Å; M371-F525 HydrophobicContact SD-CZ 4.31Å
372	Y	51.2	Low	61.7	Low	24 Å²	24	38.2 Å²	38.2	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-31	175.6	-161.1	-75	0	0	0	113.6	H368 A376 L398 G399 N400 D401 L406	H368-Y372 WeakPolarHBondContact O-CB 3.44Å; H368-Y372 PolarHBondContact O-N 3.4Å; Y372-A376 WeakPolarHBondContact O-CB 3.37Å; Y372-A376 PolarHBondContact O-N 2.94Å; Y372-L398 HydrophobicContact CD2-CD1 4.24Å; Y372-L398 HydrophobicContact CE2-CB 4.4Å; Y372-G399 PolarHBondContact OH-O 3.41Å; Y372-N400 WeakPolarHBondContact OH-CA 3.48Å; Y372-D401 PolarHBondContact OH-N 3.46Å; Y372-L406 HydrophobicContact CD1-CD1 3.13Å; Y372-L406 HydrophobicContact CD1-CG 4.33Å; Y372-L406 HydrophobicContact CD2-CD1 3.56Å; Y372-L406 HydrophobicContact CE1-CD1 3.81Å; Y372-L406 HydrophobicContact CE2-CD1 4.17Å; Y372-L406 HydrophobicContact CG-CD1 2.99Å; Y372-L406 HydrophobicContact CG-CG 4.43Å
373	R	49.4	Very low	60.1	Low	168 Å²	168	38.2 Å²	38.2	63%	0.634	19%	0.189	S	C	*	.	H	α-helix	trans	-67.2	-36	170.1	-170.3	179	178.2	-156.9	-1.4	112.9	M371	M371-R373 PolarHBondContact O-N 2.67Å
374	K	49.7	Very low	58.7	Low	24 Å²	24	36.9 Å²	36.9	10%	0.104	19%	0.185	C	C	.	.	H	α-helix	trans	-84	-39.4	177.3	-74.2	-173	-172.5	172.3	0	112.4	M371 K377 Y378 D504	M371-K374 HydrophobicContact CG-CB 3.78Å; M371-K374 CarbonylContact O-C 3.58Å; M371-K374 VanDerWaalsContact O-CA 3.3Å; M371-K374 WeakPolarHBondContact O-CA 3.33Å; M371-K374 PolarHBondContact O-N 2.89Å; K374-K377 CarbonylContact O-C 3.52Å; K374-K377 WeakPolarHBondContact O-CA 3.35Å; K374-K377 PolarHBondContact O-N 2.74Å; K374-Y378 HydrophobicContact CB-CD2 3.97Å; K374-Y378 HydrophobicContact CB-CE2 4.4Å; K374-Y378 HydrophobicContact CG-CD2 4.31Å; K374-Y378 HydrophobicContact CG-CE2 4.24Å; K374-Y378 WeakPolarHBondContact O-CA 3.21Å; K374-Y378 VanDerWaalsContact O-CB 3.28Å; K374-Y378 WeakPolarHBondContact O-CB 3.38Å; K374-Y378 VanDerWaalsContact O-CD2 3.25Å; K374-Y378 WeakPolarHBondContact O-CD2 3.38Å; K374-Y378 PolarHBondContact O-N 3.4Å; K374-D504 VanDerWaalsContact CE-OD1 3.32Å; K374-D504 WeakPolarHBondContact CE-OD1 3.33Å; K374-D504 IonicContact NZ-OD1 3.81Å; K374-D504 PolarHBondContact NZ-OD1 2.94Å; K374-D504 VanDerWaalsContact NZ-OD1 3.17Å; K374-D504 IonicContact NZ-OD2 2.73Å; K374-D504 PolarHBondContact NZ-OD2 2.99Å
375	F	47.7	Very low	57.2	Low	41 Å²	41	37.5 Å²	37.5	18%	0.18	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-40.1	168.2	-94.9	-101.8	0	0	0	111.4	M371 K377 G379 A380 I383	M371-F375 HydrophobicContact CB-CD2 3.54Å; M371-F375 HydrophobicContact CB-CE2 3.81Å; M371-F375 HydrophobicContact CE-CD2 3.49Å; M371-F375 VanDerWaalsContact CE-CD2 3.49Å; M371-F375 HydrophobicContact CE-CE2 3.5Å; M371-F375 VanDerWaalsContact CE-CE2 3.5Å; M371-F375 HydrophobicContact CE-CG 4.3Å; M371-F375 HydrophobicContact CE-CZ 4.33Å; M371-F375 HydrophobicContact CG-CD2 3.5Å; M371-F375 VanDerWaalsContact CG-CD2 3.5Å; M371-F375 HydrophobicContact CG-CE2 3.83Å; M371-F375 WeakPolarHBondContact O-CB 3.12Å; M371-F375 PolarHBondContact O-N 3.42Å; M371-F375 HydrophobicContact SD-CD2 3.65Å; M371-F375 HydrophobicContact SD-CE2 3.39Å; M371-F375 WeakPolarHBondContact SD-CE2 3.3Å; M371-F375 HydrophobicContact SD-CZ 4.49Å; F375-K377 PolarHBondContact O-N 2.99Å; F375-G379 WeakPolarHBondContact CA-O 3.42Å; F375-G379 CarbonylContact O-C 3.47Å; F375-G379 WeakPolarHBondContact O-CA 2.97Å; F375-G379 PolarHBondContact O-N 3.44Å; F375-A380 HydrophobicContact CD1-CB 3.65Å; F375-A380 HydrophobicContact CE1-CB 3.23Å; F375-A380 HydrophobicContact CZ-CB 4.23Å; F375-I383 HydrophobicContact CD2-CD1 4.45Å; F375-I383 HydrophobicContact CE1-CD1 4.41Å; F375-I383 HydrophobicContact CE2-CD1 3.36Å; F375-I383 HydrophobicContact CZ-CD1 3.32Å
376	A	45.2	Very low	55.9	Low	55 Å²	55	37.5 Å²	37.5	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-29.1	172.5	0	0	0	0	0	112	Y372	Y372-A376 WeakPolarHBondContact O-CB 3.37Å; Y372-A376 PolarHBondContact O-N 2.94Å
377	K	43.8	Very low	55.2	Low	152 Å²	152	37.5 Å²	37.5	66%	0.661	19%	0.189	S	C	*	.	H	α-helix	trans	-92	-33.5	-177.5	-170.8	176.7	179	-171.6	0	114.2	K374 F375	K374-K377 CarbonylContact O-C 3.52Å; K374-K377 WeakPolarHBondContact O-CA 3.35Å; K374-K377 PolarHBondContact O-N 2.74Å; F375-K377 PolarHBondContact O-N 2.99Å
378	Y	46.8	Very low	54.6	Low	111 Å²	111	37.7 Å²	37.7	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-123.4	-1.5	-170.9	-57	-64.3	0	0	0	112.1	K374 E381	K374-Y378 HydrophobicContact CB-CD2 3.97Å; K374-Y378 HydrophobicContact CB-CE2 4.4Å; K374-Y378 HydrophobicContact CG-CD2 4.31Å; K374-Y378 HydrophobicContact CG-CE2 4.24Å; K374-Y378 WeakPolarHBondContact O-CA 3.21Å; K374-Y378 VanDerWaalsContact O-CB 3.28Å; K374-Y378 WeakPolarHBondContact O-CB 3.38Å; K374-Y378 VanDerWaalsContact O-CD2 3.25Å; K374-Y378 WeakPolarHBondContact O-CD2 3.38Å; K374-Y378 PolarHBondContact O-N 3.4Å; Y378-E381 WeakPolarHBondContact O-CB 3.28Å; Y378-E381 VanDerWaalsContact O-CD 3.28Å; Y378-E381 WeakPolarHBondContact O-CG 3.43Å
379	G	45.2	Very low	54.3	Low	22 Å²	22	37.2 Å²	37.2	23%	0.227	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	-178.5	-171.5	0	0	0	0	0	112.9	F375 E381	F375-G379 WeakPolarHBondContact CA-O 3.42Å; F375-G379 CarbonylContact O-C 3.47Å; F375-G379 WeakPolarHBondContact O-CA 2.97Å; F375-G379 PolarHBondContact O-N 3.44Å; G379-E381 PolarHBondContact O-N 3.03Å
380	A	46.5	Very low	54.3	Low	25 Å²	25	37 Å²	37	21%	0.207	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	18.1	162.4	0	0	0	0	0	113	Y115 F375 G382	Y115-A380 HydrophobicContact CD1-CB 3.67Å; Y115-A380 HydrophobicContact CE1-CB 3.86Å; F375-A380 HydrophobicContact CD1-CB 3.65Å; F375-A380 HydrophobicContact CE1-CB 3.23Å; F375-A380 HydrophobicContact CZ-CB 4.23Å; A380-G382 PolarHBondContact O-N 2.82Å
381	E	51.1	Low	54.1	Low	65 Å²	65	37.3 Å²	37.3	30%	0.304	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	123.7	-167.1	-53.6	177.6	178.9	0	0	108.2	K116 H117 Y378 G379	K116-E381 WeakPolarHBondContact CB-OE1 3.39Å; H117-E381 HydrophobicContact CB-CG 4.35Å; Y378-E381 WeakPolarHBondContact O-CB 3.28Å; Y378-E381 VanDerWaalsContact O-CD 3.28Å; Y378-E381 WeakPolarHBondContact O-CG 3.43Å; G379-E381 PolarHBondContact O-N 3.03Å
382	G	53	Low	54.3	Low	17 Å²	17	38.4 Å²	38.4	18%	0.175	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	11.4	170.9	0	0	0	0	0	117.1	A380 D524	A380-G382 PolarHBondContact O-N 2.82Å; G382-D524 VanDerWaalsContact CA-CG 3.46Å; G382-D524 WeakPolarHBondContact CA-OD2 3.16Å; G382-D524 PolarHBondContact O-N 3.47Å
383	I	58.2	Low	54.7	Low	12 Å²	12	37.6 Å²	37.6	6%	0.062	19%	0.193	C	C	.	.	S	Bend	trans	-94.9	125.6	163.4	-56.2	172	0	0	0	108	L367 M371 F375 S385 I387 F525	L367-I383 HydrophobicContact CD2-CD1 3.85Å; L367-I383 HydrophobicContact CD2-CG2 4.34Å; L367-I383 HydrophobicContact CG-CD1 4.37Å; M371-I383 HydrophobicContact CE-CD1 3.31Å; M371-I383 HydrophobicContact CE-CG1 3.83Å; M371-I383 HydrophobicContact SD-CD1 3.35Å; M371-I383 WeakPolarHBondContact SD-CD1 3.47Å; M371-I383 HydrophobicContact SD-CG1 4.18Å; F375-I383 HydrophobicContact CD2-CD1 4.45Å; F375-I383 HydrophobicContact CE1-CD1 4.41Å; F375-I383 HydrophobicContact CE2-CD1 3.36Å; F375-I383 HydrophobicContact CZ-CD1 3.32Å; I383-S385 PolarHBondContact O-N 2.74Å; I383-I387 HydrophobicContact CG2-CB 3.54Å; I383-I387 HydrophobicContact CG2-CG2 3.39Å; I383-F525 HydrophobicContact CD1-CD1 4.25Å; I383-F525 HydrophobicContact CD1-CE1 4.2Å; I383-F525 HydrophobicContact CG1-CD1 3.77Å; I383-F525 HydrophobicContact CG1-CE1 3.83Å
384	P	60.9	Low	55.5	Low	31 Å²	31	29.6 Å²	29.6	20%	0.201	16%	0.163	C	C	.	.			trans	-51.5	139.2	171	-26.7	33.7	0	0	0	111.3	S386 I387 S388 L521 D522	P384-S386 PolarHBondContact O-N 3.15Å; P384-I387 HydrophobicContact CB-CD1 4.49Å; P384-I387 HydrophobicContact CB-CG1 4.43Å; P384-I387 HydrophobicContact CG-CD1 4.19Å; P384-I387 WeakPolarHBondContact O-CA 3.47Å; P384-I387 WeakPolarHBondContact O-CB 3.15Å; P384-I387 PolarHBondContact O-N 3.37Å; P384-S388 PolarHBondContact O-N 3.45Å; P384-S388 VanDerWaalsContact O-N 3.09Å; P384-L521 HydrophobicContact CG-CB 4.41Å; P384-L521 HydrophobicContact CG-CD1 4.47Å; P384-D522 WeakPolarHBondContact CG-O 3.31Å
385	S	58.7	Low	56.1	Low	12 Å²	12	30.3 Å²	30.3	8%	0.084	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.4	-176.9	58.8	0	0	0	0	113.4	T161 I383 I387 S388	T161-S385 VanDerWaalsContact OG1-CB 3.29Å; T161-S385 WeakPolarHBondContact OG1-CB 3.38Å; I383-S385 PolarHBondContact O-N 2.74Å; S385-I387 PolarHBondContact O-N 3.36Å; S385-S388 WeakPolarHBondContact CA-OG 3.37Å; S385-S388 PolarHBondContact O-N 3.13Å; S385-S388 PolarHBondContact O-OG 3.03Å
386	S	59.1	Low	56.8	Low	1 Å²	1	30.8 Å²	30.8	1%	0.007	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.7	173.4	62.1	0	0	0	0	114.4	H238 P384	H238-S386 PolarHBondContact CE1-O 2.66Å; H238-S386 PolarHBondContact ND1-O 2.9Å; P384-S386 PolarHBondContact O-N 3.15Å
387	I	65.7	Low	57.7	Low	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-33.2	176.3	-64	-177.6	0	0	0	109.8	L367 I383 P384 S385 E389 F510 H511 V516 L521 V523	L367-I387 HydrophobicContact CD2-CG2 3.8Å; I383-I387 HydrophobicContact CG2-CB 3.54Å; I383-I387 HydrophobicContact CG2-CG2 3.39Å; P384-I387 HydrophobicContact CB-CD1 4.49Å; P384-I387 HydrophobicContact CB-CG1 4.43Å; P384-I387 HydrophobicContact CG-CD1 4.19Å; P384-I387 WeakPolarHBondContact O-CA 3.47Å; P384-I387 WeakPolarHBondContact O-CB 3.15Å; P384-I387 PolarHBondContact O-N 3.37Å; S385-I387 PolarHBondContact O-N 3.36Å; I387-E389 PolarHBondContact O-N 2.9Å; I387-E389 VanDerWaalsContact O-N 3.14Å; I387-F510 HydrophobicContact CG2-CD2 4.26Å; I387-F510 HydrophobicContact CG2-CE2 3.89Å; I387-H511 WeakPolarHBondContact CG2-O 3.02Å; I387-V516 HydrophobicContact CD1-CG2 4.03Å; I387-L521 HydrophobicContact CD1-CD1 4.01Å; I387-L521 HydrophobicContact CG1-CD1 4.34Å; I387-V523 HydrophobicContact CD1-CG1 4.01Å
388	S	60.1	Low	58.9	Low	4 Å²	4	21.4 Å²	21.4	3%	0.028	13%	0.127	C	C	.	.	S	Bend	trans	-80	16.2	-178	77.1	0	0	0	0	114.8	Y115 P384 S385 C391	Y115-S388 PolarHBondContact OH-OG 3.19Å; P384-S388 PolarHBondContact O-N 3.45Å; P384-S388 VanDerWaalsContact O-N 3.09Å; S385-S388 WeakPolarHBondContact CA-OG 3.37Å; S385-S388 PolarHBondContact O-N 3.13Å; S385-S388 PolarHBondContact O-OG 3.03Å; S388-C391 VanDerWaalsContact C-SG 3.56Å; S388-C391 WeakPolarHBondContact CA-SG 3.42Å; S388-C391 VanDerWaalsContact O-CB 3.22Å; S388-C391 WeakPolarHBondContact O-CB 3.39Å; S388-C391 PolarHBondContact O-N 3.37Å; S388-C391 PolarHBondContact O-SG 3.27Å
389	E	64.1	Low	59.5	Low	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	143.5	177.8	-72.3	-162.5	175.4	0	0	110.9	G156 G157 D158 G239 S240 H368 I387 C391 H511	G156-E389 WeakPolarHBondContact CA-OE1 3.41Å; G157-E389 PolarHBondContact N-OE1 3.46Å; D158-E389 PolarHBondContact N-OE1 3.31Å; D158-E389 VanDerWaalsContact OD2-CA 3.25Å; D158-E389 WeakPolarHBondContact OD2-CA 3.15Å; G239-E389 WeakPolarHBondContact CA-OE2 3.15Å; S240-E389 WeakPolarHBondContact CB-OE1 3.27Å; S240-E389 VanDerWaalsContact N-CD 3.32Å; S240-E389 PolarHBondContact N-OE1 3.04Å; S240-E389 PolarHBondContact N-OE2 2.96Å; S240-E389 PolarHBondContact OG-OE1 3Å; H368-E389 PolarHBondContact NE2-O 2.75Å; I387-E389 PolarHBondContact O-N 2.9Å; I387-E389 VanDerWaalsContact O-N 3.14Å; E389-C391 PolarHBondContact O-N 3.43Å; E389-H511 IonicContact OE2-NE2 2.85Å
390	R	66.9	Low	59.9	Low	9 Å²	9	23.1 Å²	23.1	3%	0.034	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	10.6	-177.6	-54.1	176.1	-177.7	-89.7	-0.6	114.6	D158 P271 C392 L393 I394 Y469	D158-R390 PolarHBondContact OD2-N 3.01Å; P271-R390 PolarHBondContact O-NH1 3.27Å; P271-R390 PolarHBondContact O-NH2 3.22Å; R390-C392 PolarHBondContact O-N 2.88Å; R390-L393 HydrophobicContact CB-CB 4.46Å; R390-L393 PolarHBondContact O-N 2.89Å; R390-I394 PolarHBondContact O-N 3.44Å; R390-Y469 WeakPolarHBondContact CD-OH 3.22Å
391	C	58.8	Low	60.1	Low	10 Å²	10	24.2 Å²	24.2	7%	0.068	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-39.7	176.9	-79.9	0	0	0	0	111.7	H368 S388 E389 S395	H368-C391 VanDerWaalsContact CD2-CA 3.48Å; H368-C391 WeakPolarHBondContact CD2-CA 3.48Å; H368-C391 PolarHBondContact CD2-SG 3.48Å; H368-C391 WeakPolarHBondContact NE2-CA 3.42Å; H368-C391 PolarHBondContact NE2-SG 3.17Å; S388-C391 VanDerWaalsContact C-SG 3.56Å; S388-C391 WeakPolarHBondContact CA-SG 3.42Å; S388-C391 VanDerWaalsContact O-CB 3.22Å; S388-C391 WeakPolarHBondContact O-CB 3.39Å; S388-C391 PolarHBondContact O-N 3.37Å; S388-C391 PolarHBondContact O-SG 3.27Å; E389-C391 PolarHBondContact O-N 3.43Å; C391-S395 WeakPolarHBondContact O-CB 3.15Å; C391-S395 PolarHBondContact O-N 3.27Å; C391-S395 PolarHBondContact O-OG 2.98Å
392	C	57.6	Low	59.9	Low	24 Å²	24	29.2 Å²	29.2	16%	0.162	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-48.7	178.7	-62.5	0	0	0	0	111.2	R114 R390 I394 S395 V396	R114-C392 PolarHBondContact NH1-SG 3.22Å; R390-C392 PolarHBondContact O-N 2.88Å; C392-I394 PolarHBondContact O-N 2.67Å; C392-S395 WeakPolarHBondContact CA-OG 3.3Å; C392-S395 PolarHBondContact O-N 3.02Å; C392-S395 PolarHBondContact O-OG 3.34Å; C392-V396 VanDerWaalsContact O-CG2 3.31Å; C392-V396 WeakPolarHBondContact O-CG2 3.48Å; C392-V396 PolarHBondContact O-N 3.04Å
393	L	60.7	Low	59.5	Low	6 Å²	6	32 Å²	32	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-52.6	-54.9	175.6	174.8	63.9	0	0	0	111.9	N323 Y324 R390 S395 V396 I397 L468	N323-L393 HydrophobicContact CB-CB 4.5Å; N323-L393 HydrophobicContact CB-CD1 3.61Å; Y324-L393 HydrophobicContact CD1-CD2 3.83Å; Y324-L393 HydrophobicContact CD2-CD1 4.4Å; Y324-L393 HydrophobicContact CE1-CD1 4.5Å; Y324-L393 HydrophobicContact CE1-CD2 3.35Å; Y324-L393 HydrophobicContact CE2-CD1 4.22Å; Y324-L393 HydrophobicContact CE2-CD2 4.43Å; R390-L393 HydrophobicContact CB-CB 4.46Å; R390-L393 PolarHBondContact O-N 2.89Å; L393-S395 PolarHBondContact O-N 3.46Å; L393-V396 PolarHBondContact O-N 3.29Å; L393-I397 HydrophobicContact CD1-CD1 3.63Å; L393-I397 HydrophobicContact CD1-CG1 4.35Å; L393-I397 HydrophobicContact CG-CD1 3.92Å; L393-I397 WeakPolarHBondContact O-CG1 3.33Å; L393-I397 PolarHBondContact O-N 3.31Å; L393-I397 VanDerWaalsContact O-N 3.08Å; L393-L468 HydrophobicContact CD2-CD2 4.12Å
394	I	65.8	Low	59.4	Low	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-41.1	-177.5	-62.8	167.6	0	0	0	110.5	H368 R390 C392 V396 I397 L398 F464 L468	H368-I394 HydrophobicContact CB-CB 4.06Å; H368-I394 HydrophobicContact CB-CD1 4.04Å; H368-I394 HydrophobicContact CB-CG2 3.49Å; H368-I394 VanDerWaalsContact CB-CG2 3.49Å; H368-I394 VanDerWaalsContact CG-CD1 3.42Å; H368-I394 WeakPolarHBondContact ND1-CD1 3.23Å; R390-I394 PolarHBondContact O-N 3.44Å; C392-I394 PolarHBondContact O-N 2.67Å; I394-V396 VanDerWaalsContact C-N 3.3Å; I394-V396 PolarHBondContact O-N 3.05Å; I394-I397 PolarHBondContact O-N 3.37Å; I394-L398 HydrophobicContact CG2-CD1 3.72Å; I394-L398 HydrophobicContact CG2-CG 4.02Å; I394-L398 WeakPolarHBondContact O-CB 3.25Å; I394-L398 VanDerWaalsContact O-CG 3.22Å; I394-L398 WeakPolarHBondContact O-CG 3.27Å; I394-L398 PolarHBondContact O-N 3.04Å; I394-F464 HydrophobicContact CG1-CD1 4.05Å; I394-F464 HydrophobicContact CG1-CE1 4.35Å; I394-L468 HydrophobicContact CD1-CD1 3.86Å; I394-L468 HydrophobicContact CG1-CD1 4.06Å
395	S	62.9	Low	59.3	Low	39 Å²	39	38.2 Å²	38.2	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-37.4	178	69.5	0	0	0	0	113.2	C391 C392 L393 G399	C391-S395 WeakPolarHBondContact O-CB 3.15Å; C391-S395 PolarHBondContact O-N 3.27Å; C391-S395 PolarHBondContact O-OG 2.98Å; C392-S395 WeakPolarHBondContact CA-OG 3.3Å; C392-S395 PolarHBondContact O-N 3.02Å; C392-S395 PolarHBondContact O-OG 3.34Å; L393-S395 PolarHBondContact O-N 3.46Å; S395-G399 PolarHBondContact O-N 3.35Å
396	V	61.2	Low	59.4	Low	52 Å²	52	37.9 Å²	37.9	32%	0.315	22%	0.222	S	C	.	.	H	α-helix	trans	-73.2	-42.8	178.2	-179	0	0	0	0	110.9	N323 C392 L393 I394 L398 G399	N323-V396 HydrophobicContact CB-CB 4.22Å; N323-V396 HydrophobicContact CB-CG2 4.5Å; N323-V396 VanDerWaalsContact CG-CG1 3.42Å; N323-V396 WeakPolarHBondContact ND2-CB 3.24Å; N323-V396 WeakPolarHBondContact ND2-CG1 3.46Å; N323-V396 WeakPolarHBondContact OD1-CG1 3.19Å; C392-V396 VanDerWaalsContact O-CG2 3.31Å; C392-V396 WeakPolarHBondContact O-CG2 3.48Å; C392-V396 PolarHBondContact O-N 3.04Å; L393-V396 PolarHBondContact O-N 3.29Å; I394-V396 VanDerWaalsContact C-N 3.3Å; I394-V396 PolarHBondContact O-N 3.05Å; V396-L398 VanDerWaalsContact C-N 3.31Å; V396-L398 PolarHBondContact O-N 3.25Å; V396-G399 VanDerWaalsContact O-CA 3.3Å; V396-G399 WeakPolarHBondContact O-CA 3.37Å; V396-G399 PolarHBondContact O-N 3.03Å
397	I	65.5	Low	59.5	Low	2 Å²	2	39.6 Å²	39.6	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-40.1	178	-65.6	166.3	0	0	0	111.3	L393 I394 G399 I417 N420 L421 E424 F464	L393-I397 HydrophobicContact CD1-CD1 3.63Å; L393-I397 HydrophobicContact CD1-CG1 4.35Å; L393-I397 HydrophobicContact CG-CD1 3.92Å; L393-I397 WeakPolarHBondContact O-CG1 3.33Å; L393-I397 PolarHBondContact O-N 3.31Å; L393-I397 VanDerWaalsContact O-N 3.08Å; I394-I397 PolarHBondContact O-N 3.37Å; I397-G399 PolarHBondContact O-N 3.31Å; I397-I417 HydrophobicContact CG2-CG2 4.27Å; I397-N420 HydrophobicContact CG2-CB 3.85Å; I397-N420 PolarHBondContact O-ND2 3.44Å; I397-L421 HydrophobicContact CD1-CB 4.41Å; I397-L421 HydrophobicContact CD1-CD1 3.77Å; I397-L421 HydrophobicContact CG2-CB 4.08Å; I397-E424 WeakPolarHBondContact CG1-OE2 3.43Å; I397-F464 HydrophobicContact CB-CE1 4.34Å; I397-F464 HydrophobicContact CB-CZ 4.19Å; I397-F464 HydrophobicContact CD1-CE1 3.84Å; I397-F464 HydrophobicContact CD1-CZ 4.46Å; I397-F464 HydrophobicContact CG2-CE1 4.05Å; I397-F464 HydrophobicContact CG2-CZ 3.57Å
398	L	67.6	Low	59.4	Low	8 Å²	8	43.6 Å²	43.6	4%	0.042	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.5	173.4	-67.1	178.5	0	0	0	113	F369 Y372 I394 V396 L406 F409 I417	F369-L398 HydrophobicContact CE1-CD2 4.05Å; F369-L398 HydrophobicContact CZ-CD2 3.97Å; Y372-L398 HydrophobicContact CD2-CD1 4.24Å; Y372-L398 HydrophobicContact CE2-CB 4.4Å; I394-L398 HydrophobicContact CG2-CD1 3.72Å; I394-L398 HydrophobicContact CG2-CG 4.02Å; I394-L398 WeakPolarHBondContact O-CB 3.25Å; I394-L398 VanDerWaalsContact O-CG 3.22Å; I394-L398 WeakPolarHBondContact O-CG 3.27Å; I394-L398 PolarHBondContact O-N 3.04Å; V396-L398 VanDerWaalsContact C-N 3.31Å; V396-L398 PolarHBondContact O-N 3.25Å; L398-L406 HydrophobicContact CD1-CD1 4.44Å; L398-F409 HydrophobicContact CD2-CZ 4.31Å; L398-I417 HydrophobicContact CD2-CD1 3.83Å; L398-I417 HydrophobicContact CD2-CG1 4.25Å; L398-I417 HydrophobicContact CD2-CG2 4.18Å
399	G	60.3	Low	60	Low	24 Å²	24	43.4 Å²	43.4	25%	0.247	25%	0.252	C	S	.	.			trans	78.4	154.5	-177.4	0	0	0	0	0	112.8	Y372 S395 V396 I397 D401	Y372-G399 PolarHBondContact OH-O 3.41Å; S395-G399 PolarHBondContact O-N 3.35Å; V396-G399 VanDerWaalsContact O-CA 3.3Å; V396-G399 WeakPolarHBondContact O-CA 3.37Å; V396-G399 PolarHBondContact O-N 3.03Å; I397-G399 PolarHBondContact O-N 3.31Å; G399-D401 PolarHBondContact O-N 2.9Å
400	N	52.3	Low	60.7	Low	145 Å²	145	47.6 Å²	47.6	78%	0.775	27%	0.274	S	S	*	.			trans	-74.3	66.2	168.7	-84.8	-11.3	0	0	0	110.6	Y372 E402	Y372-N400 WeakPolarHBondContact OH-CA 3.48Å; N400-E402 VanDerWaalsContact C-N 3.32Å; N400-E402 PolarHBondContact O-N 3.18Å
401	D	50.9	Low	61.6	Low	48 Å²	48	50.4 Å²	50.4	26%	0.257	29%	0.288	S	S	.	.			trans	-96	64.4	171.4	-106.6	-27.1	0	0	0	108.8	Y372 G399 G403 K404 R413	Y372-D401 PolarHBondContact OH-N 3.46Å; G399-D401 PolarHBondContact O-N 2.9Å; D401-G403 PolarHBondContact O-N 3.03Å; D401-K404 HydrophobicContact CB-CB 4.28Å; D401-K404 HydrophobicContact CB-CD 4.14Å; D401-K404 HydrophobicContact CB-CG 4.22Å; D401-K404 VanDerWaalsContact CG-CE 3.49Å; D401-K404 PolarHBondContact O-N 2.67Å; D401-K404 WeakPolarHBondContact OD1-CE 3Å; D401-K404 IonicContact OD1-NZ 3.17Å; D401-K404 PolarHBondContact OD1-NZ 3.27Å; D401-K404 VanDerWaalsContact OD2-CD 3.31Å; D401-K404 WeakPolarHBondContact OD2-CD 3.42Å; D401-K404 WeakPolarHBondContact OD2-CE 3.44Å; D401-K404 IonicContact OD2-NZ 3.89Å; D401-K404 PolarHBondContact OD2-NZ 2.72Å; D401-R413 IonicContact OD2-CZ 3.35Å; D401-R413 IonicContact OD2-NE 3.97Å; D401-R413 IonicContact OD2-NH2 2.75Å; D401-R413 PolarHBondContact OD2-NH2 2.86Å
402	E	48.1	Very low	62.9	Low	170 Å²	170	59.5 Å²	59.5	79%	0.794	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	117	171.9	-73.7	-169.7	171	0	0	109.2	N400	N400-E402 VanDerWaalsContact C-N 3.32Å; N400-E402 PolarHBondContact O-N 3.18Å
403	G	45	Very low	64.1	Low	74 Å²	74	60.1 Å²	60.1	76%	0.763	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-4.9	174.8	0	0	0	0	0	117.4	D401	D401-G403 PolarHBondContact O-N 3.03Å
404	K	55.6	Low	65.4	Low	109 Å²	109	59.9 Å²	59.9	47%	0.474	32%	0.318	S	S	.	.			trans	-86.5	141.3	174.1	-65.4	-167.1	-166.5	152	0	112.3	D401 L406	D401-K404 HydrophobicContact CB-CB 4.28Å; D401-K404 HydrophobicContact CB-CD 4.14Å; D401-K404 HydrophobicContact CB-CG 4.22Å; D401-K404 VanDerWaalsContact CG-CE 3.49Å; D401-K404 PolarHBondContact O-N 2.67Å; D401-K404 WeakPolarHBondContact OD1-CE 3Å; D401-K404 IonicContact OD1-NZ 3.17Å; D401-K404 PolarHBondContact OD1-NZ 3.27Å; D401-K404 VanDerWaalsContact OD2-CD 3.31Å; D401-K404 WeakPolarHBondContact OD2-CD 3.42Å; D401-K404 WeakPolarHBondContact OD2-CE 3.44Å; D401-K404 IonicContact OD2-NZ 3.89Å; D401-K404 PolarHBondContact OD2-NZ 2.72Å; K404-L406 PolarHBondContact O-N 3.32Å
405	N	58.6	Low	66.6	Low	66 Å²	66	62 Å²	62	35%	0.353	33%	0.328	S	S	.	.			trans	-73	108.3	176.2	-166.7	11.1	0	0	0	110.1	T407 L408	N405-T407 VanDerWaalsContact CG-OG1 3.24Å; N405-T407 PolarHBondContact ND2-OG1 3.13Å; N405-T407 PolarHBondContact O-N 2.98Å; N405-T407 PolarHBondContact OD1-N 3.39Å; N405-T407 PolarHBondContact OD1-OG1 2.93Å; N405-L408 PolarHBondContact O-N 3.44Å
406	L	61	Low	67.8	Low	5 Å²	5	62.4 Å²	62.4	3%	0.026	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.7	178.9	-72.1	161.7	0	0	0	113.5	Y372 L398 K404 F409 S457	Y372-L406 HydrophobicContact CD1-CD1 3.13Å; Y372-L406 HydrophobicContact CD1-CG 4.33Å; Y372-L406 HydrophobicContact CD2-CD1 3.56Å; Y372-L406 HydrophobicContact CE1-CD1 3.81Å; Y372-L406 HydrophobicContact CE2-CD1 4.17Å; Y372-L406 HydrophobicContact CG-CD1 2.99Å; Y372-L406 HydrophobicContact CG-CG 4.43Å; L398-L406 HydrophobicContact CD1-CD1 4.44Å; K404-L406 PolarHBondContact O-N 3.32Å; L406-F409 HydrophobicContact CB-CE1 4.49Å; L406-F409 HydrophobicContact CB-CZ 4Å; L406-F409 HydrophobicContact CD2-CD1 4.46Å; L406-F409 HydrophobicContact CD2-CE1 3.26Å; L406-F409 HydrophobicContact CD2-CZ 3.4Å; L406-F409 VanDerWaalsContact CD2-CZ 3.4Å; L406-F409 HydrophobicContact CG-CE1 4.41Å; L406-F409 HydrophobicContact CG-CZ 4.28Å; L406-F409 WeakPolarHBondContact O-CE2 3.22Å; L406-F409 WeakPolarHBondContact O-CZ 3.25Å; L406-S457 PolarHBondContact O-OG 2.58Å
407	T	60.3	Low	69	Low	37 Å²	37	60.1 Å²	60.1	23%	0.227	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.1	168.6	72.8	0	0	0	0	112.5	N405 S457	N405-T407 VanDerWaalsContact CG-OG1 3.24Å; N405-T407 PolarHBondContact ND2-OG1 3.13Å; N405-T407 PolarHBondContact O-N 2.98Å; N405-T407 PolarHBondContact OD1-N 3.39Å; N405-T407 PolarHBondContact OD1-OG1 2.93Å; T407-S457 PolarHBondContact O-OG 3.02Å; T407-S457 VanDerWaalsContact O-OG 3.12Å
408	L	64.9	Low	70.2	Confident	84 Å²	84	60 Å²	60	44%	0.44	32%	0.319	S	S	.	.			trans	-138.4	97.6	-178.9	-62.4	169.6	0	0	0	108.2	N405 D453 V454 S457	N405-L408 PolarHBondContact O-N 3.44Å; L408-D453 HydrophobicContact CB-CB 4.34Å; L408-D453 HydrophobicContact CD2-CB 3.84Å; L408-V454 HydrophobicContact CD2-CG2 4.01Å; L408-S457 PolarHBondContact N-OG 3.35Å
409	F	71.5	Confident	71.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.329	C	S	.	.			trans	-99.1	133.6	167.9	-62.1	-70.2	0	0	0	109.3	F369 L398 L406 R413 I417 D453 L456 S457 L460	F369-F409 AromaticContact CD1-CE2 3.91Å; F369-F409 HydrophobicContact CD1-CE2 3.91Å; F369-F409 HydrophobicContact CD1-CZ 4.22Å; F369-F409 AromaticContact CE1-CE2 3.7Å; F369-F409 HydrophobicContact CE1-CE2 3.7Å; F369-F409 AromaticContact CE1-CZ 3.98Å; F369-F409 HydrophobicContact CE1-CZ 3.98Å; L398-F409 HydrophobicContact CD2-CZ 4.31Å; L406-F409 HydrophobicContact CB-CE1 4.49Å; L406-F409 HydrophobicContact CB-CZ 4Å; L406-F409 HydrophobicContact CD2-CD1 4.46Å; L406-F409 HydrophobicContact CD2-CE1 3.26Å; L406-F409 HydrophobicContact CD2-CZ 3.4Å; L406-F409 VanDerWaalsContact CD2-CZ 3.4Å; L406-F409 HydrophobicContact CG-CE1 4.41Å; L406-F409 HydrophobicContact CG-CZ 4.28Å; L406-F409 WeakPolarHBondContact O-CE2 3.22Å; L406-F409 WeakPolarHBondContact O-CZ 3.25Å; F409-R413 HydrophobicContact CD1-CB 4.23Å; F409-R413 HydrophobicContact CD1-CG 3.71Å; F409-R413 HydrophobicContact CE1-CG 4.26Å; F409-I417 HydrophobicContact CD1-CD1 3.72Å; F409-I417 HydrophobicContact CE1-CD1 3.26Å; F409-I417 HydrophobicContact CG-CD1 4.48Å; F409-I417 HydrophobicContact CZ-CD1 3.72Å; F409-D453 WeakPolarHBondContact O-CB 3.46Å; F409-L456 HydrophobicContact CB-CB 4.37Å; F409-L456 WeakPolarHBondContact O-CD1 3.29Å; F409-S457 WeakPolarHBondContact CD2-OG 3.38Å; F409-L460 HydrophobicContact CD2-CD1 3.72Å; F409-L460 HydrophobicContact CE2-CD1 3.99Å; F409-L460 HydrophobicContact CG-CD1 4.09Å
410	D	79.3	Confident	72.5	Confident	88 Å²	88	63.1 Å²	63.1	47%	0.471	33%	0.333	S	S	.	.			trans	-76.7	166.7	156.5	66.1	10.9	0	0	0	109.5	R412 R413 A414	D410-R412 VanDerWaalsContact C-N 3.26Å; D410-R412 PolarHBondContact O-N 2.95Å; D410-R412 PolarHBondContact OD1-N 3.49Å; D410-R413 PolarHBondContact O-N 3.16Å; D410-R413 WeakPolarHBondContact OD1-CB 3.45Å; D410-R413 PolarHBondContact OD1-N 2.75Å; D410-A414 PolarHBondContact O-N 3.12Å
411	E	85.5	Confident	74.2	Confident	67 Å²	67	56.2 Å²	56.2	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-39.3	179.8	175.7	-179.8	122.4	0	0	112.1	R413 A414 E415 V443 Y444 K447	E411-R413 VanDerWaalsContact C-N 3.32Å; E411-R413 PolarHBondContact O-N 2.72Å; E411-A414 WeakPolarHBondContact O-CB 3.16Å; E411-A414 PolarHBondContact O-N 3.08Å; E411-E415 WeakPolarHBondContact O-CG 3.16Å; E411-E415 PolarHBondContact O-N 3.2Å; E411-V443 HydrophobicContact CG-CG1 3.89Å; E411-Y444 HydrophobicContact CG-CE1 4.1Å; E411-K447 HydrophobicContact CB-CD 4.21Å; E411-K447 VanDerWaalsContact CB-NZ 3.29Å; E411-K447 VanDerWaalsContact OE2-CD 3.23Å; E411-K447 WeakPolarHBondContact OE2-CD 3.34Å; E411-K447 WeakPolarHBondContact OE2-CE 3.48Å; E411-K447 IonicContact OE2-NZ 3.56Å; E411-K447 PolarHBondContact OE2-NZ 3.27Å
412	R	86.2	Confident	76	Confident	201 Å²	201	54 Å²	54	76%	0.758	28%	0.284	S	S	*	.	H	α-helix	trans	-62.3	-40.6	-179.9	-167.5	-178.1	-159.4	-175.3	5.9	112	D410 A416	D410-R412 VanDerWaalsContact C-N 3.26Å; D410-R412 PolarHBondContact O-N 2.95Å; D410-R412 PolarHBondContact OD1-N 3.49Å; R412-A416 PolarHBondContact O-N 2.87Å; R412-A416 VanDerWaalsContact O-N 3.08Å
413	R	82.6	Confident	77.7	Confident	38 Å²	38	50 Å²	50	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-72.5	-37	176.9	-168	168.7	-179.4	-157.9	7.6	111.3	D401 F409 D410 E411 A416 I417	D401-R413 IonicContact OD2-CZ 3.35Å; D401-R413 IonicContact OD2-NE 3.97Å; D401-R413 IonicContact OD2-NH2 2.75Å; D401-R413 PolarHBondContact OD2-NH2 2.86Å; F409-R413 HydrophobicContact CD1-CB 4.23Å; F409-R413 HydrophobicContact CD1-CG 3.71Å; F409-R413 HydrophobicContact CE1-CG 4.26Å; D410-R413 PolarHBondContact O-N 3.16Å; D410-R413 WeakPolarHBondContact OD1-CB 3.45Å; D410-R413 PolarHBondContact OD1-N 2.75Å; E411-R413 VanDerWaalsContact C-N 3.32Å; E411-R413 PolarHBondContact O-N 2.72Å; R413-A416 PolarHBondContact O-N 2.72Å; R413-I417 HydrophobicContact CG-CD1 4.28Å; R413-I417 WeakPolarHBondContact O-CG1 3.33Å; R413-I417 PolarHBondContact O-N 2.83Å
414	A	87.5	Confident	79	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-45.5	173.2	0	0	0	0	0	111.7	D410 E411 A416 I417 V418 V443 L456 L460	D410-A414 PolarHBondContact O-N 3.12Å; E411-A414 WeakPolarHBondContact O-CB 3.16Å; E411-A414 PolarHBondContact O-N 3.08Å; A414-A416 PolarHBondContact O-N 3.01Å; A414-I417 PolarHBondContact O-N 3.36Å; A414-V418 WeakPolarHBondContact O-CG2 3.39Å; A414-V418 PolarHBondContact O-N 3.25Å; A414-V443 HydrophobicContact CB-CG1 4.02Å; A414-V443 HydrophobicContact CB-CG2 4.09Å; A414-L456 HydrophobicContact CB-CD2 4.48Å; A414-L460 HydrophobicContact CB-CD1 3.81Å; A414-L460 HydrophobicContact CB-CD2 4.43Å; A414-L460 HydrophobicContact CB-CG 4.46Å
415	E	91	Very high	80.3	Confident	44 Å²	44	43.4 Å²	43.4	21%	0.206	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-45.8	173.8	-72.7	174.5	168.3	0	0	111.8	E411 I417 V418 S419 Y439 V443 Y444	E411-E415 WeakPolarHBondContact O-CG 3.16Å; E411-E415 PolarHBondContact O-N 3.2Å; E415-I417 VanDerWaalsContact C-N 3.32Å; E415-I417 PolarHBondContact O-N 2.75Å; E415-V418 PolarHBondContact O-N 2.94Å; E415-S419 WeakPolarHBondContact O-CB 3.25Å; E415-S419 PolarHBondContact O-N 3.32Å; E415-Y439 HydrophobicContact CB-CD1 4.45Å; E415-Y439 HydrophobicContact CB-CE1 3.77Å; E415-Y439 HydrophobicContact CG-CD1 4.2Å; E415-Y439 HydrophobicContact CG-CE1 3.97Å; E415-Y439 WeakPolarHBondContact O-CE1 3.41Å; E415-Y439 PolarHBondContact O-OH 3.21Å; E415-V443 HydrophobicContact CG-CG1 4.23Å; E415-Y444 VanDerWaalsContact OE1-CE1 3.31Å; E415-Y444 WeakPolarHBondContact OE1-CE1 3.42Å; E415-Y444 VanDerWaalsContact OE1-CZ 3.31Å; E415-Y444 PolarHBondContact OE1-OH 3.02Å
416	A	88.5	Confident	81.2	Confident	48 Å²	48	44 Å²	44	40%	0.397	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-41.7	177.8	0	0	0	0	0	112.3	R412 R413 A414 S419 N420	R412-A416 PolarHBondContact O-N 2.87Å; R412-A416 VanDerWaalsContact O-N 3.08Å; R413-A416 PolarHBondContact O-N 2.72Å; A414-A416 PolarHBondContact O-N 3.01Å; A416-S419 PolarHBondContact O-N 3.45Å; A416-N420 WeakPolarHBondContact O-CB 3.36Å; A416-N420 PolarHBondContact O-N 3.16Å; A416-N420 PolarHBondContact O-OD1 2.98Å
417	I	86.9	Confident	82	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-45.4	177.7	-71.2	165	0	0	0	111.2	I397 L398 F409 R413 A414 E415 S419 N420 L421 L460 F464	I397-I417 HydrophobicContact CG2-CG2 4.27Å; L398-I417 HydrophobicContact CD2-CD1 3.83Å; L398-I417 HydrophobicContact CD2-CG1 4.25Å; L398-I417 HydrophobicContact CD2-CG2 4.18Å; F409-I417 HydrophobicContact CD1-CD1 3.72Å; F409-I417 HydrophobicContact CE1-CD1 3.26Å; F409-I417 HydrophobicContact CG-CD1 4.48Å; F409-I417 HydrophobicContact CZ-CD1 3.72Å; R413-I417 HydrophobicContact CG-CD1 4.28Å; R413-I417 WeakPolarHBondContact O-CG1 3.33Å; R413-I417 PolarHBondContact O-N 2.83Å; A414-I417 PolarHBondContact O-N 3.36Å; E415-I417 VanDerWaalsContact C-N 3.32Å; E415-I417 PolarHBondContact O-N 2.75Å; I417-S419 VanDerWaalsContact C-N 3.35Å; I417-N420 PolarHBondContact O-N 2.74Å; I417-L421 PolarHBondContact O-N 3.46Å; I417-L460 HydrophobicContact CD1-CD1 4.04Å; I417-L460 HydrophobicContact CG2-CD1 4.42Å; I417-F464 HydrophobicContact CG2-CE2 3.74Å; I417-F464 HydrophobicContact CG2-CZ 3.93Å
418	V	90.9	Very high	83.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-43.3	177	169.4	0	0	0	0	111	A414 E415 L421 T422 T435 C438 Y439 V443 L460 M463	A414-V418 WeakPolarHBondContact O-CG2 3.39Å; A414-V418 PolarHBondContact O-N 3.25Å; E415-V418 PolarHBondContact O-N 2.94Å; V418-L421 PolarHBondContact O-N 3.09Å; V418-T422 WeakPolarHBondContact O-CG2 3.35Å; V418-T422 PolarHBondContact O-N 3.4Å; V418-T422 PolarHBondContact O-OG1 3.1Å; V418-T435 HydrophobicContact CG1-CG2 4.46Å; V418-C438 HydrophobicContact CG1-CB 3.25Å; V418-Y439 HydrophobicContact CB-CD1 3.88Å; V418-Y439 HydrophobicContact CB-CE1 3.75Å; V418-Y439 HydrophobicContact CG1-CD1 3.53Å; V418-Y439 HydrophobicContact CG1-CE1 3.65Å; V418-Y439 HydrophobicContact CG2-CD1 4.47Å; V418-V443 HydrophobicContact CG2-CG2 3.77Å; V418-L460 HydrophobicContact CG2-CD2 3.68Å; V418-M463 HydrophobicContact CG2-CE 3.92Å; V418-M463 HydrophobicContact CG2-SD 3.75Å
419	S	90.3	Very high	84.3	Confident	34 Å²	34	49.8 Å²	49.8	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-45.5	176.4	-173	0	0	0	0	111.1	E415 A416 I417 L421 T422 M423	E415-S419 WeakPolarHBondContact O-CB 3.25Å; E415-S419 PolarHBondContact O-N 3.32Å; A416-S419 PolarHBondContact O-N 3.45Å; I417-S419 VanDerWaalsContact C-N 3.35Å; S419-L421 PolarHBondContact O-N 3.02Å; S419-T422 PolarHBondContact O-N 2.9Å; S419-T422 PolarHBondContact O-OG1 2.76Å; S419-M423 VanDerWaalsContact O-CB 3.26Å; S419-M423 WeakPolarHBondContact O-CB 3.49Å; S419-M423 WeakPolarHBondContact O-CG 3.45Å; S419-M423 PolarHBondContact O-N 2.97Å
420	N	86	Confident	85.2	Confident	63 Å²	63	51.2 Å²	51.2	34%	0.337	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-49.4	176.7	-72.2	-7.1	0	0	0	111.4	I397 A416 I417 T422 M423 E424	I397-N420 HydrophobicContact CG2-CB 3.85Å; I397-N420 PolarHBondContact O-ND2 3.44Å; A416-N420 WeakPolarHBondContact O-CB 3.36Å; A416-N420 PolarHBondContact O-N 3.16Å; A416-N420 PolarHBondContact O-OD1 2.98Å; I417-N420 PolarHBondContact O-N 2.74Å; N420-T422 VanDerWaalsContact C-N 3.33Å; N420-T422 PolarHBondContact O-N 3.18Å; N420-M423 PolarHBondContact O-N 3.31Å; N420-E424 VanDerWaalsContact O-CB 3.23Å; N420-E424 WeakPolarHBondContact O-CB 3.46Å; N420-E424 WeakPolarHBondContact O-CG 3.46Å; N420-E424 PolarHBondContact O-N 3.37Å
421	L	86.8	Confident	85.7	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-48.4	178	173.4	64.2	0	0	0	111.9	I397 I417 V418 S419 H425 M463 F464 F467	I397-L421 HydrophobicContact CD1-CB 4.41Å; I397-L421 HydrophobicContact CD1-CD1 3.77Å; I397-L421 HydrophobicContact CG2-CB 4.08Å; I417-L421 PolarHBondContact O-N 3.46Å; V418-L421 PolarHBondContact O-N 3.09Å; S419-L421 PolarHBondContact O-N 3.02Å; L421-H425 WeakPolarHBondContact O-CB 3.39Å; L421-H425 PolarHBondContact O-N 3.24Å; L421-M463 HydrophobicContact CD2-CE 3.58Å; L421-M463 HydrophobicContact CD2-CG 4.28Å; L421-M463 HydrophobicContact CD2-SD 3.93Å; L421-F464 HydrophobicContact CB-CE1 4.49Å; L421-F464 HydrophobicContact CB-CZ 4.49Å; L421-F464 HydrophobicContact CD1-CD1 4.35Å; L421-F464 HydrophobicContact CD1-CE1 3.89Å; L421-F464 HydrophobicContact CD2-CD1 4.47Å; L421-F464 HydrophobicContact CD2-CE1 4.24Å; L421-F464 HydrophobicContact CG-CE1 4.43Å; L421-F467 HydrophobicContact CD1-CD1 3.87Å; L421-F467 HydrophobicContact CD1-CE1 3.83Å; L421-F467 HydrophobicContact CD2-CD1 4.27Å
422	T	89.4	Confident	85.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-76.3	-31.3	-173.8	52	0	0	0	0	112.8	V418 S419 N420 F428 H431 I434 T435 C438	V418-T422 WeakPolarHBondContact O-CG2 3.35Å; V418-T422 PolarHBondContact O-N 3.4Å; V418-T422 PolarHBondContact O-OG1 3.1Å; S419-T422 PolarHBondContact O-N 2.9Å; S419-T422 PolarHBondContact O-OG1 2.76Å; N420-T422 VanDerWaalsContact C-N 3.33Å; N420-T422 PolarHBondContact O-N 3.18Å; T422-F428 HydrophobicContact CG2-CE2 4.47Å; T422-H431 PolarHBondContact O-ND1 3.28Å; T422-I434 HydrophobicContact CG2-CG2 3.87Å; T422-T435 PolarHBondContact OG1-OG1 3.42Å; T422-C438 HydrophobicContact CG2-CB 4.45Å
423	M	83.5	Confident	86.2	Confident	87 Å²	87	48.8 Å²	48.8	43%	0.429	23%	0.232	S	C	.	.	H	α-helix	trans	-76.2	-35.7	174.9	-68.3	-59.2	121.4	0	0	112.5	S419 N420 H425 H431 T435	S419-M423 VanDerWaalsContact O-CB 3.26Å; S419-M423 WeakPolarHBondContact O-CB 3.49Å; S419-M423 WeakPolarHBondContact O-CG 3.45Å; S419-M423 PolarHBondContact O-N 2.97Å; N420-M423 PolarHBondContact O-N 3.31Å; M423-H425 VanDerWaalsContact C-N 3.33Å; M423-H431 HydrophobicContact CE-CB 3.26Å; M423-H431 HydrophobicContact SD-CB 3.7Å; M423-T435 WeakPolarHBondContact CE-OG1 3.31Å
424	E	73.5	Confident	86.7	Confident	40 Å²	40	47 Å²	47	19%	0.187	23%	0.226	C	C	.	.	H	α-helix	trans	-79.7	-14.6	179.8	-68.9	-178.9	175.6	0	0	113	D322 N323 I397 N420 Y426	D322-E424 WeakPolarHBondContact CB-O 3.42Å; N323-E424 PolarHBondContact ND2-OE1 3.13Å; N323-E424 PolarHBondContact ND2-OE2 2.75Å; I397-E424 WeakPolarHBondContact CG1-OE2 3.43Å; N420-E424 VanDerWaalsContact O-CB 3.23Å; N420-E424 WeakPolarHBondContact O-CB 3.46Å; N420-E424 WeakPolarHBondContact O-CG 3.46Å; N420-E424 PolarHBondContact O-N 3.37Å; E424-Y426 PolarHBondContact O-N 3.06Å
425	H	82	Confident	87	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.019	23%	0.227	C	C	.	.			trans	-80.9	103.1	-179.7	-171.6	61.2	0	0	0	111.9	Y324 L421 M423 E427 F428 H431 F467	Y324-H425 AromaticContact CE2-ND1 3.79Å; Y324-H425 AromaticContact CZ-ND1 3.72Å; Y324-H425 PolarHBondContact OH-ND1 3.48Å; L421-H425 WeakPolarHBondContact O-CB 3.39Å; L421-H425 PolarHBondContact O-N 3.24Å; M423-H425 VanDerWaalsContact C-N 3.33Å; H425-E427 VanDerWaalsContact C-N 3.25Å; H425-E427 IonicContact CE1-OE2 3.51Å; H425-E427 WeakPolarHBondContact NE2-CB 3.47Å; H425-E427 IonicContact NE2-OE2 2.67Å; H425-E427 PolarHBondContact O-N 3.42Å; H425-E427 VanDerWaalsContact O-N 3.16Å; H425-F428 HydrophobicContact CB-CD2 3.75Å; H425-F428 HydrophobicContact CB-CE2 3.83Å; H425-F428 HydrophobicContact CB-CG 4.42Å; H425-F428 AromaticContact CD2-CD1 3.48Å; H425-F428 VanDerWaalsContact CD2-CD1 3.48Å; H425-F428 WeakPolarHBondContact CD2-CD1 3.35Å; H425-F428 AromaticContact CD2-CD2 3.54Å; H425-F428 AromaticContact CD2-CE1 3.41Å; H425-F428 VanDerWaalsContact CD2-CE1 3.41Å; H425-F428 WeakPolarHBondContact CD2-CE1 3.33Å; H425-F428 AromaticContact CD2-CE2 3.47Å; H425-F428 VanDerWaalsContact CD2-CE2 3.47Å; H425-F428 WeakPolarHBondContact CD2-CE2 3.47Å; H425-F428 AromaticContact CD2-CG 3.54Å; H425-F428 AromaticContact CD2-CZ 3.4Å; H425-F428 VanDerWaalsContact CD2-CZ 3.4Å; H425-F428 WeakPolarHBondContact CD2-CZ 3.15Å; H425-F428 AromaticContact CG-CE2 3.92Å; H425-F428 AromaticContact NE2-CE1 3.9Å; H425-F428 PolarHBondContact O-N 3.42Å; H425-H431 PolarHBondContact O-CE1 3.47Å; H425-H431 VanDerWaalsContact O-CE1 3.28Å; H425-F467 HydrophobicContact CB-CZ 4.47Å; H425-F467 AromaticContact CD2-CZ 3.77Å; H425-F467 AromaticContact CE1-CZ 3.68Å; H425-F467 AromaticContact CG-CZ 3.69Å; H425-F467 AromaticContact ND1-CZ 3.62Å; H425-F467 AromaticContact NE2-CZ 3.72Å
426	Y	76.9	Confident	87.1	Confident	78 Å²	78	49.8 Å²	49.8	31%	0.306	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.7	-172.2	77.1	-87.5	0	0	0	115.8	L274 R275 D322 Y324 E424 F428	L274-Y426 PolarHBondContact O-OH 3.23Å; R275-Y426 HydrophobicContact CG-CE1 4.22Å; D322-Y426 WeakPolarHBondContact OD2-CB 3.48Å; D322-Y426 WeakPolarHBondContact OD2-CD1 3.49Å; Y324-Y426 HydrophobicContact CD2-CD1 4.35Å; E424-Y426 PolarHBondContact O-N 3.06Å; Y426-F428 VanDerWaalsContact C-N 3.3Å
427	E	79.6	Confident	87.4	Confident	76 Å²	76	47.6 Å²	47.6	36%	0.355	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.6	-178.7	-53.7	-177.8	147	0	0	112.7	H425 H429	H425-E427 VanDerWaalsContact C-N 3.25Å; H425-E427 IonicContact CE1-OE2 3.51Å; H425-E427 WeakPolarHBondContact NE2-CB 3.47Å; H425-E427 IonicContact NE2-OE2 2.67Å; H425-E427 PolarHBondContact O-N 3.42Å; H425-E427 VanDerWaalsContact O-N 3.16Å; E427-H429 PolarHBondContact O-CE1 3.17Å; E427-H429 PolarHBondContact O-ND1 2.91Å
428	F	86.7	Confident	87.8	Confident	24 Å²	24	47.4 Å²	47.4	11%	0.105	22%	0.221	C	C	.	.			trans	-79.9	133.2	174.5	-67.5	-21.4	0	0	0	110.7	T422 H425 Y426 H431 I434 F467 W598	T422-F428 HydrophobicContact CG2-CE2 4.47Å; H425-F428 HydrophobicContact CB-CD2 3.75Å; H425-F428 HydrophobicContact CB-CE2 3.83Å; H425-F428 HydrophobicContact CB-CG 4.42Å; H425-F428 AromaticContact CD2-CD1 3.48Å; H425-F428 VanDerWaalsContact CD2-CD1 3.48Å; H425-F428 WeakPolarHBondContact CD2-CD1 3.35Å; H425-F428 AromaticContact CD2-CD2 3.54Å; H425-F428 AromaticContact CD2-CE1 3.41Å; H425-F428 VanDerWaalsContact CD2-CE1 3.41Å; H425-F428 WeakPolarHBondContact CD2-CE1 3.33Å; H425-F428 AromaticContact CD2-CE2 3.47Å; H425-F428 VanDerWaalsContact CD2-CE2 3.47Å; H425-F428 WeakPolarHBondContact CD2-CE2 3.47Å; H425-F428 AromaticContact CD2-CG 3.54Å; H425-F428 AromaticContact CD2-CZ 3.4Å; H425-F428 VanDerWaalsContact CD2-CZ 3.4Å; H425-F428 WeakPolarHBondContact CD2-CZ 3.15Å; H425-F428 AromaticContact CG-CE2 3.92Å; H425-F428 AromaticContact NE2-CE1 3.9Å; H425-F428 PolarHBondContact O-N 3.42Å; Y426-F428 VanDerWaalsContact C-N 3.3Å; F428-H431 PolarHBondContact O-CE1 3.47Å; F428-H431 PolarHBondContact O-NE2 3.25Å; F428-I434 HydrophobicContact CB-CD1 3.68Å; F428-I434 HydrophobicContact CD1-CD1 3.44Å; F428-I434 VanDerWaalsContact CD1-CD1 3.44Å; F428-I434 HydrophobicContact CD2-CD1 3.77Å; F428-I434 HydrophobicContact CD2-CG2 4.06Å; F428-I434 HydrophobicContact CE1-CD1 4.01Å; F428-I434 HydrophobicContact CE2-CD1 4.31Å; F428-I434 HydrophobicContact CE2-CG2 3.82Å; F428-I434 HydrophobicContact CG-CD1 3.32Å; F428-I434 HydrophobicContact CZ-CD1 4.41Å; F428-I434 HydrophobicContact CZ-CG2 4.18Å; F428-F467 HydrophobicContact CE1-CE2 4.38Å; F428-F467 HydrophobicContact CE2-CE2 4.44Å; F428-F467 HydrophobicContact CE2-CZ 4.43Å; F428-F467 AromaticContact CZ-CE2 3.64Å; F428-F467 HydrophobicContact CZ-CE2 3.64Å; F428-F467 AromaticContact CZ-CZ 3.97Å; F428-F467 HydrophobicContact CZ-CZ 3.97Å; F428-W598 HydrophobicContact CE2-CZ3 4.23Å; F428-W598 HydrophobicContact CZ-CE3 4.29Å; F428-W598 AromaticContact CZ-CZ3 3.74Å; F428-W598 HydrophobicContact CZ-CZ3 3.74Å
429	H	86.4	Confident	87.9	Confident	149 Å²	149	48.9 Å²	48.9	69%	0.69	23%	0.226	S	C	*	.	S	Bend	trans	-95.2	-40.6	175	-56.7	81.9	0	0	0	110.8	E427 D606	E427-H429 PolarHBondContact O-CE1 3.17Å; E427-H429 PolarHBondContact O-ND1 2.91Å; H429-D606 WeakPolarHBondContact CA-OD1 3.46Å; H429-D606 IonicContact CG-OD2 2.78Å; H429-D606 PolarHBondContact N-OD1 3.33Å; H429-D606 PolarHBondContact N-OD2 3.48Å; H429-D606 IonicContact ND1-OD2 3.34Å; H429-D606 PolarHBondContact ND1-OD2 3.49Å
430	N	89.2	Confident	88.1	Confident	29 Å²	29	53.7 Å²	53.7	16%	0.155	24%	0.243	C	C	.	.			trans	-105.9	59.4	179.5	-69.2	-40.1	0	0	0	111.7	R432 L433 I434 L605 D606 V608 V610	N430-R432 PolarHBondContact O-N 2.94Å; N430-L433 HydrophobicContact CB-CB 4.24Å; N430-L433 HydrophobicContact CB-CD1 4.26Å; N430-L433 HydrophobicContact CB-CG 4.47Å; N430-L433 PolarHBondContact O-N 3.44Å; N430-I434 PolarHBondContact O-N 3.05Å; N430-I434 VanDerWaalsContact O-N 3.14Å; N430-L605 PolarHBondContact ND2-O 3.48Å; N430-D606 PolarHBondContact N-OD1 3.25Å; N430-D606 PolarHBondContact ND2-O 3.14Å; N430-V608 PolarHBondContact ND2-O 2.86Å; N430-V610 WeakPolarHBondContact OD1-CG2 3.14Å
431	H	89.6	Confident	88.4	Confident	55 Å²	55	53.3 Å²	53.3	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-47.1	-43.3	-176.9	-57	-89.1	0	0	0	113	T422 M423 H425 F428 I434 T435	T422-H431 PolarHBondContact O-ND1 3.28Å; M423-H431 HydrophobicContact CE-CB 3.26Å; M423-H431 HydrophobicContact SD-CB 3.7Å; H425-H431 PolarHBondContact O-CE1 3.47Å; H425-H431 VanDerWaalsContact O-CE1 3.28Å; F428-H431 PolarHBondContact O-CE1 3.47Å; F428-H431 PolarHBondContact O-NE2 3.25Å; H431-I434 PolarHBondContact O-N 3.33Å; H431-T435 WeakPolarHBondContact O-CB 3.25Å; H431-T435 PolarHBondContact O-N 2.82Å; H431-T435 PolarHBondContact O-OG1 2.93Å
432	R	90.1	Very high	88.7	Confident	190 Å²	190	53.5 Å²	53.5	72%	0.717	24%	0.24	S	C	*	.	H	α-helix	trans	-63.6	-46.1	-179.2	-173.8	177.1	179.7	-179.6	0.1	113.1	N430 I434 T435 E436	N430-R432 PolarHBondContact O-N 2.94Å; R432-I434 VanDerWaalsContact C-N 3.29Å; R432-I434 PolarHBondContact O-N 3.17Å; R432-T435 WeakPolarHBondContact O-CB 3.3Å; R432-T435 PolarHBondContact O-N 3.33Å; R432-E436 WeakPolarHBondContact O-CG 3.48Å; R432-E436 PolarHBondContact O-N 3.5Å
433	L	91.7	Very high	88.7	Confident	61 Å²	61	53.5 Å²	53.5	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-40	179.5	-71	179.6	0	0	0	110.8	N430 T435 E436 G437 L605 V608 V610	N430-L433 HydrophobicContact CB-CB 4.24Å; N430-L433 HydrophobicContact CB-CD1 4.26Å; N430-L433 HydrophobicContact CB-CG 4.47Å; N430-L433 PolarHBondContact O-N 3.44Å; L433-T435 VanDerWaalsContact C-N 3.33Å; L433-E436 PolarHBondContact O-N 3.39Å; L433-G437 PolarHBondContact O-N 2.88Å; L433-L605 HydrophobicContact CB-CB 4.21Å; L433-V608 HydrophobicContact CD1-CB 3.93Å; L433-V608 HydrophobicContact CD1-CG1 4.13Å; L433-V608 HydrophobicContact CD1-CG2 4.24Å; L433-V610 HydrophobicContact CD1-CG2 3.94Å
434	I	93.4	Very high	89	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-40.5	176.1	-61.9	170.2	0	0	0	110.6	T422 F428 N430 H431 R432 E436 G437 C438 W598 L605 D606	T422-I434 HydrophobicContact CG2-CG2 3.87Å; F428-I434 HydrophobicContact CB-CD1 3.68Å; F428-I434 HydrophobicContact CD1-CD1 3.44Å; F428-I434 VanDerWaalsContact CD1-CD1 3.44Å; F428-I434 HydrophobicContact CD2-CD1 3.77Å; F428-I434 HydrophobicContact CD2-CG2 4.06Å; F428-I434 HydrophobicContact CE1-CD1 4.01Å; F428-I434 HydrophobicContact CE2-CD1 4.31Å; F428-I434 HydrophobicContact CE2-CG2 3.82Å; F428-I434 HydrophobicContact CG-CD1 3.32Å; F428-I434 HydrophobicContact CZ-CD1 4.41Å; F428-I434 HydrophobicContact CZ-CG2 4.18Å; N430-I434 PolarHBondContact O-N 3.05Å; N430-I434 VanDerWaalsContact O-N 3.14Å; H431-I434 PolarHBondContact O-N 3.33Å; R432-I434 VanDerWaalsContact C-N 3.29Å; R432-I434 PolarHBondContact O-N 3.17Å; I434-E436 PolarHBondContact O-N 3.03Å; I434-G437 PolarHBondContact O-N 2.74Å; I434-C438 PolarHBondContact O-N 3.19Å; I434-C438 PolarHBondContact O-SG 3.49Å; I434-W598 HydrophobicContact CG2-CZ3 4.22Å; I434-L605 HydrophobicContact CG1-CB 4.26Å; I434-D606 HydrophobicContact CD1-CB 3.89Å; I434-D606 WeakPolarHBondContact CD1-OD1 3.48Å
435	T	94.6	Very high	89.5	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-56	-51.6	174.7	-51.4	0	0	0	0	110.9	V418 T422 M423 H431 R432 L433 G437 C438 Y439	V418-T435 HydrophobicContact CG1-CG2 4.46Å; T422-T435 PolarHBondContact OG1-OG1 3.42Å; M423-T435 WeakPolarHBondContact CE-OG1 3.31Å; H431-T435 WeakPolarHBondContact O-CB 3.25Å; H431-T435 PolarHBondContact O-N 2.82Å; H431-T435 PolarHBondContact O-OG1 2.93Å; R432-T435 WeakPolarHBondContact O-CB 3.3Å; R432-T435 PolarHBondContact O-N 3.33Å; L433-T435 VanDerWaalsContact C-N 3.33Å; T435-G437 VanDerWaalsContact C-N 3.31Å; T435-G437 PolarHBondContact O-N 2.79Å; T435-C438 WeakPolarHBondContact O-CB 3.48Å; T435-C438 PolarHBondContact O-N 2.58Å; T435-C438 VanDerWaalsContact O-N 3.09Å; T435-Y439 HydrophobicContact CG2-CD1 4.33Å; T435-Y439 HydrophobicContact CG2-CD2 4.38Å; T435-Y439 HydrophobicContact CG2-CE1 3.72Å; T435-Y439 HydrophobicContact CG2-CE2 3.82Å; T435-Y439 VanDerWaalsContact CG2-CZ 3.47Å; T435-Y439 PolarHBondContact O-N 3.13Å
436	E	93.8	Very high	89.5	Confident	96 Å²	96	55.8 Å²	55.8	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-40.3	178.8	-63.5	-63.6	159.3	0	0	111.8	R432 L433 I434 C438 Y439 F440	R432-E436 WeakPolarHBondContact O-CG 3.48Å; R432-E436 PolarHBondContact O-N 3.5Å; L433-E436 PolarHBondContact O-N 3.39Å; I434-E436 PolarHBondContact O-N 3.03Å; E436-C438 VanDerWaalsContact C-N 3.32Å; E436-C438 PolarHBondContact O-N 3.44Å; E436-Y439 PolarHBondContact O-N 2.68Å; E436-F440 PolarHBondContact O-N 3.18Å
437	G	94.3	Very high	89.1	Confident	3 Å²	3	56 Å²	56	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-41.4	173.5	0	0	0	0	0	112.4	L433 I434 T435 F440 E441 F597	L433-G437 PolarHBondContact O-N 2.88Å; I434-G437 PolarHBondContact O-N 2.74Å; T435-G437 VanDerWaalsContact C-N 3.31Å; T435-G437 PolarHBondContact O-N 2.79Å; G437-F440 PolarHBondContact O-N 3.08Å; G437-E441 PolarHBondContact O-N 2.91Å; G437-F597 WeakPolarHBondContact O-CE2 3.39Å
438	C	94.7	Very high	88.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.7	-37	178.4	-65.1	0	0	0	0	112	V418 T422 I434 T435 E436 F440 E441 Y442 F597 W598	V418-C438 HydrophobicContact CG1-CB 3.25Å; T422-C438 HydrophobicContact CG2-CB 4.45Å; I434-C438 PolarHBondContact O-N 3.19Å; I434-C438 PolarHBondContact O-SG 3.49Å; T435-C438 WeakPolarHBondContact O-CB 3.48Å; T435-C438 PolarHBondContact O-N 2.58Å; T435-C438 VanDerWaalsContact O-N 3.09Å; E436-C438 VanDerWaalsContact C-N 3.32Å; E436-C438 PolarHBondContact O-N 3.44Å; C438-F440 VanDerWaalsContact C-N 3.33Å; C438-F440 PolarHBondContact O-N 2.61Å; C438-E441 PolarHBondContact O-N 3.02Å; C438-Y442 HydrophobicContact CB-CD2 4.34Å; C438-Y442 WeakPolarHBondContact O-CB 3.25Å; C438-Y442 PolarHBondContact O-N 2.84Å; C438-F597 HydrophobicContact CB-CZ 4.39Å; C438-W598 WeakPolarHBondContact SG-CH2 3.35Å
439	Y	94.2	Very high	87.9	Confident	30 Å²	30	65.7 Å²	65.7	12%	0.118	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-47.6	172.2	-68.9	-17.7	0	0	0	111.1	E415 V418 T435 E436 V443 Y444	E415-Y439 HydrophobicContact CB-CD1 4.45Å; E415-Y439 HydrophobicContact CB-CE1 3.77Å; E415-Y439 HydrophobicContact CG-CD1 4.2Å; E415-Y439 HydrophobicContact CG-CE1 3.97Å; E415-Y439 WeakPolarHBondContact O-CE1 3.41Å; E415-Y439 PolarHBondContact O-OH 3.21Å; V418-Y439 HydrophobicContact CB-CD1 3.88Å; V418-Y439 HydrophobicContact CB-CE1 3.75Å; V418-Y439 HydrophobicContact CG1-CD1 3.53Å; V418-Y439 HydrophobicContact CG1-CE1 3.65Å; V418-Y439 HydrophobicContact CG2-CD1 4.47Å; T435-Y439 HydrophobicContact CG2-CD1 4.33Å; T435-Y439 HydrophobicContact CG2-CD2 4.38Å; T435-Y439 HydrophobicContact CG2-CE1 3.72Å; T435-Y439 HydrophobicContact CG2-CE2 3.82Å; T435-Y439 VanDerWaalsContact CG2-CZ 3.47Å; T435-Y439 PolarHBondContact O-N 3.13Å; E436-Y439 PolarHBondContact O-N 2.68Å; Y439-V443 HydrophobicContact CD1-CG2 4.23Å; Y439-V443 WeakPolarHBondContact O-CA 3.41Å; Y439-V443 WeakPolarHBondContact O-CB 3.47Å; Y439-V443 PolarHBondContact O-N 2.7Å; Y439-Y444 HydrophobicContact CD2-CE2 4.4Å; Y439-Y444 HydrophobicContact CG-CE2 4.3Å; Y439-Y444 PolarHBondContact O-N 3.12Å
440	F	92.7	Very high	87	Confident	135 Å²	135	66.3 Å²	66.3	59%	0.592	32%	0.323	S	S	*	.	I	π-helix	trans	-59.7	-48.4	177.3	177.9	-97	0	0	0	112.3	E436 G437 C438 G445	E436-F440 PolarHBondContact O-N 3.18Å; G437-F440 PolarHBondContact O-N 3.08Å; C438-F440 VanDerWaalsContact C-N 3.33Å; C438-F440 PolarHBondContact O-N 2.61Å; F440-G445 WeakPolarHBondContact O-CA 2.8Å; F440-G445 PolarHBondContact O-N 3.24Å
441	E	93.4	Very high	86.1	Confident	55 Å²	55	68.3 Å²	68.3	26%	0.257	33%	0.331	S	S	.	.	I	π-helix	trans	-73.5	-41.6	-174.9	-174.3	66.4	-165.7	0	0	113.3	G437 C438 P446 F597	G437-E441 PolarHBondContact O-N 2.91Å; C438-E441 PolarHBondContact O-N 3.02Å; E441-P446 WeakPolarHBondContact O-CD 3.3Å; E441-F597 HydrophobicContact CB-CD2 3.82Å; E441-F597 HydrophobicContact CB-CE2 3.74Å; E441-F597 HydrophobicContact CB-CG 4.5Å; E441-F597 HydrophobicContact CB-CZ 4.37Å; E441-F597 HydrophobicContact CG-CB 4.49Å; E441-F597 HydrophobicContact CG-CD2 3.81Å; E441-F597 HydrophobicContact CG-CE2 4.24Å; E441-F597 HydrophobicContact CG-CG 4.11Å
442	Y	92.8	Very high	85.2	Confident	5 Å²	5	69.1 Å²	69.1	2%	0.02	34%	0.343	C	S	.	.	I	π-helix	trans	-115.7	-11.2	-165.5	-61.9	-71.9	0	0	0	115.4	C438 S459 M463 Q466 F597 W598	C438-Y442 HydrophobicContact CB-CD2 4.34Å; C438-Y442 WeakPolarHBondContact O-CB 3.25Å; C438-Y442 PolarHBondContact O-N 2.84Å; Y442-S459 PolarHBondContact O-OG 2.94Å; Y442-S459 VanDerWaalsContact O-OG 3.13Å; Y442-M463 HydrophobicContact CD1-CB 3.57Å; Y442-M463 HydrophobicContact CD1-CG 4.11Å; Y442-M463 HydrophobicContact CD2-CB 3.97Å; Y442-M463 HydrophobicContact CD2-CG 3.55Å; Y442-M463 HydrophobicContact CD2-SD 3.78Å; Y442-M463 HydrophobicContact CE1-CB 3.72Å; Y442-M463 HydrophobicContact CE1-CG 4.16Å; Y442-M463 HydrophobicContact CE2-CB 4.12Å; Y442-M463 HydrophobicContact CE2-CG 3.61Å; Y442-M463 HydrophobicContact CE2-SD 4.34Å; Y442-M463 HydrophobicContact CG-CB 3.69Å; Y442-M463 HydrophobicContact CG-CG 3.8Å; Y442-M463 HydrophobicContact CG-SD 4.08Å; Y442-Q466 VanDerWaalsContact CE1-OE1 3.27Å; Y442-Q466 PolarHBondContact OH-OE1 3.4Å; Y442-F597 AromaticContact CE2-CD1 3.87Å; Y442-F597 HydrophobicContact CE2-CD1 3.87Å; Y442-F597 AromaticContact CE2-CE1 3.87Å; Y442-F597 HydrophobicContact CE2-CE1 3.87Å; Y442-F597 HydrophobicContact CE2-CG 4.43Å; Y442-F597 HydrophobicContact CE2-CZ 4.41Å; Y442-W598 AromaticContact CE2-CZ2 3.95Å; Y442-W598 HydrophobicContact CE2-CZ2 3.95Å; Y442-W598 AromaticContact CZ-NE1 3.84Å; Y442-W598 PolarHBondContact OH-NE1 2.87Å
443	V	90.4	Very high	84.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.327	C	S	.	.	I	π-helix	trans	-113.9	-60.6	179.5	-174.7	0	0	0	0	110.3	E411 A414 E415 V418 Y439 K447 L456	E411-V443 HydrophobicContact CG-CG1 3.89Å; A414-V443 HydrophobicContact CB-CG1 4.02Å; A414-V443 HydrophobicContact CB-CG2 4.09Å; E415-V443 HydrophobicContact CG-CG1 4.23Å; V418-V443 HydrophobicContact CG2-CG2 3.77Å; Y439-V443 HydrophobicContact CD1-CG2 4.23Å; Y439-V443 WeakPolarHBondContact O-CA 3.41Å; Y439-V443 WeakPolarHBondContact O-CB 3.47Å; Y439-V443 PolarHBondContact O-N 2.7Å; V443-K447 VanDerWaalsContact O-CB 3.26Å; V443-K447 WeakPolarHBondContact O-CB 3.22Å; V443-K447 PolarHBondContact O-N 2.88Å; V443-L456 HydrophobicContact CG1-CD2 4.35Å; V443-L456 WeakPolarHBondContact O-CD2 3.34Å
444	Y	89.4	Confident	83.5	Confident	104 Å²	104	63.2 Å²	63.2	41%	0.408	33%	0.327	S	S	.	.	I	π-helix	trans	-82.4	-33.3	-174.7	-51.2	-39.3	0	0	0	113	E411 E415 Y439	E411-Y444 HydrophobicContact CG-CE1 4.1Å; E415-Y444 VanDerWaalsContact OE1-CE1 3.31Å; E415-Y444 WeakPolarHBondContact OE1-CE1 3.42Å; E415-Y444 VanDerWaalsContact OE1-CZ 3.31Å; E415-Y444 PolarHBondContact OE1-OH 3.02Å; Y439-Y444 HydrophobicContact CD2-CE2 4.4Å; Y439-Y444 HydrophobicContact CG-CE2 4.3Å; Y439-Y444 PolarHBondContact O-N 3.12Å
445	G	84.1	Confident	82.9	Confident	50 Å²	50	65 Å²	65	52%	0.515	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-50.7	178.1	0	0	0	0	0	113.3	F440	F440-G445 WeakPolarHBondContact O-CA 2.8Å; F440-G445 PolarHBondContact O-N 3.24Å
446	P	80.4	Confident	82.4	Confident	26 Å²	26	64.8 Å²	64.8	17%	0.169	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-47.3	176.4	-18.7	30.3	0	0	0	111.9	E441 R448 V455 S459	E441-P446 WeakPolarHBondContact O-CD 3.3Å; P446-R448 PolarHBondContact O-N 3.08Å; P446-V455 HydrophobicContact CB-CG1 4Å; P446-S459 WeakPolarHBondContact CG-OG 3.47Å
447	K	70.3	Confident	81.7	Confident	82 Å²	82	60.7 Å²	60.7	36%	0.357	32%	0.319	S	S	.	.			trans	-66.6	95	-168.8	-168.1	-174.5	-180	-174.6	0	113.2	E411 V443 L456	E411-K447 HydrophobicContact CB-CD 4.21Å; E411-K447 VanDerWaalsContact CB-NZ 3.29Å; E411-K447 VanDerWaalsContact OE2-CD 3.23Å; E411-K447 WeakPolarHBondContact OE2-CD 3.34Å; E411-K447 WeakPolarHBondContact OE2-CE 3.48Å; E411-K447 IonicContact OE2-NZ 3.56Å; E411-K447 PolarHBondContact OE2-NZ 3.27Å; V443-K447 VanDerWaalsContact O-CB 3.26Å; V443-K447 WeakPolarHBondContact O-CB 3.22Å; V443-K447 PolarHBondContact O-N 2.88Å; K447-L456 HydrophobicContact CB-CD2 4.15Å; K447-L456 HydrophobicContact CD-CD1 4.24Å
448	R	71.6	Confident	81.1	Confident	170 Å²	170	65.2 Å²	65.2	64%	0.642	34%	0.339	S	S	*	.			trans	-84	153	165.2	-57.5	-172.7	-174.4	170.7	-0.5	110.6	P446 N450 E451	P446-R448 PolarHBondContact O-N 3.08Å; R448-N450 PolarHBondContact O-N 3.31Å; R448-E451 HydrophobicContact CB-CB 4.45Å; R448-E451 HydrophobicContact CB-CG 3.96Å; R448-E451 WeakPolarHBondContact CD-OE1 3.42Å; R448-E451 HydrophobicContact CG-CG 4.5Å; R448-E451 WeakPolarHBondContact CG-OE1 3.39Å; R448-E451 IonicContact NE-OE1 3.61Å; R448-E451 PolarHBondContact O-N 3.4Å
449	P	67.7	Low	80.8	Confident	134 Å²	134	65.9 Å²	65.9	87%	0.87	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-16.8	-177.3	-27.9	34.7	0	0	0	116.5
450	N	68.9	Low	80.5	Confident	162 Å²	162	64.5 Å²	64.5	87%	0.866	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	7.6	-177.3	-66	-6.4	0	0	0	113.6	R448	R448-N450 PolarHBondContact O-N 3.31Å
451	E	70.5	Confident	80.2	Confident	71 Å²	71	59 Å²	59	33%	0.332	32%	0.315	S	S	.	.			trans	-88	148.2	179.6	-78.4	179.2	-165.7	0	0	111.5	R448 V455	R448-E451 HydrophobicContact CB-CB 4.45Å; R448-E451 HydrophobicContact CB-CG 3.96Å; R448-E451 WeakPolarHBondContact CD-OE1 3.42Å; R448-E451 HydrophobicContact CG-CG 4.5Å; R448-E451 WeakPolarHBondContact CG-OE1 3.39Å; R448-E451 IonicContact NE-OE1 3.61Å; R448-E451 PolarHBondContact O-N 3.4Å; E451-V455 HydrophobicContact CB-CG2 4.13Å; E451-V455 WeakPolarHBondContact OE2-CG1 3.47Å
452	S	70.6	Confident	80	Confident	71 Å²	71	58.8 Å²	58.8	50%	0.497	32%	0.316	S	S	.	.			trans	-74.1	153	-179.2	63.4	0	0	0	0	111.2	V454 V455	S452-V454 PolarHBondContact O-N 3.46Å; S452-V455 WeakPolarHBondContact O-CB 3.25Å; S452-V455 PolarHBondContact O-N 2.93Å
453	D	70.3	Confident	80	Confident	73 Å²	73	58.6 Å²	58.6	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-14	173.9	-63.7	-21.2	0	0	0	113.4	L408 F409 V455 L456 S457	L408-D453 HydrophobicContact CB-CB 4.34Å; L408-D453 HydrophobicContact CD2-CB 3.84Å; F409-D453 WeakPolarHBondContact O-CB 3.46Å; D453-V455 VanDerWaalsContact C-N 3.29Å; D453-L456 PolarHBondContact O-N 3.35Å; D453-S457 PolarHBondContact O-N 3.32Å; D453-S457 PolarHBondContact O-OG 3.27Å
454	V	74.7	Confident	79.9	Confident	54 Å²	54	58.6 Å²	58.6	33%	0.327	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-36.7	171.7	-179.6	0	0	0	0	110.7	L408 S452 L456 S457 E458	L408-V454 HydrophobicContact CD2-CG2 4.01Å; S452-V454 PolarHBondContact O-N 3.46Å; V454-L456 VanDerWaalsContact C-N 3.31Å; V454-L456 PolarHBondContact O-N 3.36Å; V454-S457 WeakPolarHBondContact O-CA 3.47Å; V454-S457 WeakPolarHBondContact O-CB 3.2Å; V454-S457 PolarHBondContact O-N 3.03Å; V454-E458 HydrophobicContact CG1-CG 4.36Å; V454-E458 PolarHBondContact O-N 3.46Å
455	V	81.5	Confident	80.1	Confident	37 Å²	37	53.7 Å²	53.7	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-38.5	179.6	179.8	0	0	0	0	111.4	P446 E451 S452 D453 S457 E458 S459	P446-V455 HydrophobicContact CB-CG1 4Å; E451-V455 HydrophobicContact CB-CG2 4.13Å; E451-V455 WeakPolarHBondContact OE2-CG1 3.47Å; S452-V455 WeakPolarHBondContact O-CB 3.25Å; S452-V455 PolarHBondContact O-N 2.93Å; D453-V455 VanDerWaalsContact C-N 3.29Å; V455-S457 VanDerWaalsContact C-N 3.32Å; V455-S457 PolarHBondContact O-N 3.31Å; V455-E458 PolarHBondContact O-N 2.83Å; V455-S459 WeakPolarHBondContact O-CB 3.32Å; V455-S459 PolarHBondContact O-N 2.9Å
456	L	83.1	Confident	80.6	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-40.4	173.9	-75.9	174.9	0	0	0	111.2	F409 A414 V443 K447 D453 V454 S459 L460	F409-L456 HydrophobicContact CB-CB 4.37Å; F409-L456 WeakPolarHBondContact O-CD1 3.29Å; A414-L456 HydrophobicContact CB-CD2 4.48Å; V443-L456 HydrophobicContact CG1-CD2 4.35Å; V443-L456 WeakPolarHBondContact O-CD2 3.34Å; K447-L456 HydrophobicContact CB-CD2 4.15Å; K447-L456 HydrophobicContact CD-CD1 4.24Å; D453-L456 PolarHBondContact O-N 3.35Å; V454-L456 VanDerWaalsContact C-N 3.31Å; V454-L456 PolarHBondContact O-N 3.36Å; L456-S459 PolarHBondContact O-N 3.45Å; L456-L460 VanDerWaalsContact O-CG 3.26Å; L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 2.97Å
457	S	79.9	Confident	81.2	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-44.4	177.7	-48	0	0	0	0	112	L406 T407 L408 F409 D453 V454 V455 L460 M461	L406-S457 PolarHBondContact O-OG 2.58Å; T407-S457 PolarHBondContact O-OG 3.02Å; T407-S457 VanDerWaalsContact O-OG 3.12Å; L408-S457 PolarHBondContact N-OG 3.35Å; F409-S457 WeakPolarHBondContact CD2-OG 3.38Å; D453-S457 PolarHBondContact O-N 3.32Å; D453-S457 PolarHBondContact O-OG 3.27Å; V454-S457 WeakPolarHBondContact O-CA 3.47Å; V454-S457 WeakPolarHBondContact O-CB 3.2Å; V454-S457 PolarHBondContact O-N 3.03Å; V455-S457 VanDerWaalsContact C-N 3.32Å; V455-S457 PolarHBondContact O-N 3.31Å; S457-L460 PolarHBondContact O-N 2.98Å; S457-M461 WeakPolarHBondContact O-CB 3.42Å; S457-M461 PolarHBondContact O-N 2.66Å
458	E	82.1	Confident	82.2	Confident	99 Å²	99	47.4 Å²	47.4	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-43.9	174.3	-70	177.2	170.1	0	0	111.6	V454 V455 L460 M461 D462	V454-E458 HydrophobicContact CG1-CG 4.36Å; V454-E458 PolarHBondContact O-N 3.46Å; V455-E458 PolarHBondContact O-N 2.83Å; E458-L460 PolarHBondContact O-N 3.47Å; E458-M461 WeakPolarHBondContact O-CB 3.48Å; E458-M461 PolarHBondContact O-N 3.06Å; E458-D462 WeakPolarHBondContact O-CB 3.06Å; E458-D462 PolarHBondContact O-N 2.98Å
459	S	88.6	Confident	83.2	Confident	14 Å²	14	39.3 Å²	39.3	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-36.2	179.4	-170.4	0	0	0	0	113.2	Y442 P446 V455 L456 M463	Y442-S459 PolarHBondContact O-OG 2.94Å; Y442-S459 VanDerWaalsContact O-OG 3.13Å; P446-S459 WeakPolarHBondContact CG-OG 3.47Å; V455-S459 WeakPolarHBondContact O-CB 3.32Å; V455-S459 PolarHBondContact O-N 2.9Å; L456-S459 PolarHBondContact O-N 3.45Å; S459-M463 PolarHBondContact O-N 2.75Å
460	L	87.5	Confident	84.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.7	-40.9	174.2	-67.6	174.2	0	0	0	110.9	F369 F409 A414 I417 V418 L456 S457 E458 D462 M463 F464	F369-L460 HydrophobicContact CE1-CB 3.8Å; F369-L460 HydrophobicContact CZ-CB 3.86Å; F409-L460 HydrophobicContact CD2-CD1 3.72Å; F409-L460 HydrophobicContact CE2-CD1 3.99Å; F409-L460 HydrophobicContact CG-CD1 4.09Å; A414-L460 HydrophobicContact CB-CD1 3.81Å; A414-L460 HydrophobicContact CB-CD2 4.43Å; A414-L460 HydrophobicContact CB-CG 4.46Å; I417-L460 HydrophobicContact CD1-CD1 4.04Å; I417-L460 HydrophobicContact CG2-CD1 4.42Å; V418-L460 HydrophobicContact CG2-CD2 3.68Å; L456-L460 VanDerWaalsContact O-CG 3.26Å; L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 2.97Å; S457-L460 PolarHBondContact O-N 2.98Å; E458-L460 PolarHBondContact O-N 3.47Å; L460-D462 VanDerWaalsContact C-N 3.27Å; L460-D462 PolarHBondContact O-N 2.94Å; L460-M463 HydrophobicContact CD2-CE 3.94Å; L460-M463 VanDerWaalsContact O-CB 3.26Å; L460-M463 WeakPolarHBondContact O-CB 3.28Å; L460-M463 PolarHBondContact O-N 3.4Å; L460-M463 VanDerWaalsContact O-N 3.1Å; L460-F464 WeakPolarHBondContact O-CD2 3.21Å; L460-F464 PolarHBondContact O-N 3.43Å
461	M	85.9	Confident	85.9	Confident	19 Å²	19	25.3 Å²	25.3	9%	0.094	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-42.6	173.1	177.3	-172.2	62.8	0	0	111.6	H363 A366 F369 S457 E458 F464 S465	H363-M461 HydrophobicContact CB-SD 4.45Å; A366-M461 WeakPolarHBondContact CA-SD 3.25Å; A366-M461 HydrophobicContact CB-SD 3.57Å; A366-M461 VanDerWaalsContact CB-SD 3.57Å; F369-M461 HydrophobicContact CD1-CB 4.24Å; F369-M461 HydrophobicContact CD2-CB 3.84Å; F369-M461 HydrophobicContact CD2-CG 4.07Å; F369-M461 HydrophobicContact CE1-CB 4.43Å; F369-M461 HydrophobicContact CE2-CB 4.07Å; F369-M461 HydrophobicContact CG-CB 3.94Å; F369-M461 HydrophobicContact CG-CG 4.34Å; F369-M461 HydrophobicContact CZ-CB 4.35Å; S457-M461 WeakPolarHBondContact O-CB 3.42Å; S457-M461 PolarHBondContact O-N 2.66Å; E458-M461 WeakPolarHBondContact O-CB 3.48Å; E458-M461 PolarHBondContact O-N 3.06Å; M461-F464 PolarHBondContact O-N 2.92Å; M461-S465 WeakPolarHBondContact O-CB 3.39Å; M461-S465 PolarHBondContact O-N 3.4Å; M461-S465 PolarHBondContact O-OG 3.06Å
462	D	89.3	Confident	87.1	Confident	52 Å²	52	22 Å²	22	28%	0.278	12%	0.124	S	C	.	.	H	α-helix	trans	-61.8	-43.8	172.7	-87.1	1.2	0	0	0	111.3	E458 L460 F464 S465 Q466	E458-D462 WeakPolarHBondContact O-CB 3.06Å; E458-D462 PolarHBondContact O-N 2.98Å; L460-D462 VanDerWaalsContact C-N 3.27Å; L460-D462 PolarHBondContact O-N 2.94Å; D462-F464 PolarHBondContact O-N 3.12Å; D462-S465 PolarHBondContact O-N 3.22Å; D462-Q466 WeakPolarHBondContact O-CB 3.36Å; D462-Q466 WeakPolarHBondContact O-CG 3.25Å; D462-Q466 PolarHBondContact O-N 2.9Å
463	M	92.2	Very high	88.3	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54	-51	175.7	-177	-174	62.9	0	0	111.7	V418 L421 Y442 S459 L460 Q466 F467 W598	V418-M463 HydrophobicContact CG2-CE 3.92Å; V418-M463 HydrophobicContact CG2-SD 3.75Å; L421-M463 HydrophobicContact CD2-CE 3.58Å; L421-M463 HydrophobicContact CD2-CG 4.28Å; L421-M463 HydrophobicContact CD2-SD 3.93Å; Y442-M463 HydrophobicContact CD1-CB 3.57Å; Y442-M463 HydrophobicContact CD1-CG 4.11Å; Y442-M463 HydrophobicContact CD2-CB 3.97Å; Y442-M463 HydrophobicContact CD2-CG 3.55Å; Y442-M463 HydrophobicContact CD2-SD 3.78Å; Y442-M463 HydrophobicContact CE1-CB 3.72Å; Y442-M463 HydrophobicContact CE1-CG 4.16Å; Y442-M463 HydrophobicContact CE2-CB 4.12Å; Y442-M463 HydrophobicContact CE2-CG 3.61Å; Y442-M463 HydrophobicContact CE2-SD 4.34Å; Y442-M463 HydrophobicContact CG-CB 3.69Å; Y442-M463 HydrophobicContact CG-CG 3.8Å; Y442-M463 HydrophobicContact CG-SD 4.08Å; S459-M463 PolarHBondContact O-N 2.75Å; L460-M463 HydrophobicContact CD2-CE 3.94Å; L460-M463 VanDerWaalsContact O-CB 3.26Å; L460-M463 WeakPolarHBondContact O-CB 3.28Å; L460-M463 PolarHBondContact O-N 3.4Å; L460-M463 VanDerWaalsContact O-N 3.1Å; M463-Q466 PolarHBondContact O-N 3.23Å; M463-F467 VanDerWaalsContact O-CB 3.25Å; M463-F467 WeakPolarHBondContact O-CB 3.49Å; M463-F467 PolarHBondContact O-N 2.97Å; M463-W598 HydrophobicContact CG-CZ2 3.86Å
464	F	90	Very high	89.6	Confident	1 Å²	1	15.4 Å²	15.4	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-65.5	-44.1	179.3	-77.8	-83.4	0	0	0	112.1	S365 F369 I394 I397 I417 L421 L460 M461 D462 Q466 F467 L468	S365-F464 WeakPolarHBondContact OG-CB 3.2Å; F369-F464 HydrophobicContact CE2-CB 4.47Å; F369-F464 AromaticContact CE2-CD2 3.52Å; F369-F464 HydrophobicContact CE2-CD2 3.52Å; F369-F464 HydrophobicContact CE2-CE2 4.05Å; F369-F464 HydrophobicContact CE2-CG 4.24Å; F369-F464 AromaticContact CZ-CD2 3.49Å; F369-F464 HydrophobicContact CZ-CD2 3.49Å; F369-F464 VanDerWaalsContact CZ-CD2 3.49Å; F369-F464 AromaticContact CZ-CE2 3.69Å; F369-F464 HydrophobicContact CZ-CE2 3.69Å; I394-F464 HydrophobicContact CG1-CD1 4.05Å; I394-F464 HydrophobicContact CG1-CE1 4.35Å; I397-F464 HydrophobicContact CB-CE1 4.34Å; I397-F464 HydrophobicContact CB-CZ 4.19Å; I397-F464 HydrophobicContact CD1-CE1 3.84Å; I397-F464 HydrophobicContact CD1-CZ 4.46Å; I397-F464 HydrophobicContact CG2-CE1 4.05Å; I397-F464 HydrophobicContact CG2-CZ 3.57Å; I417-F464 HydrophobicContact CG2-CE2 3.74Å; I417-F464 HydrophobicContact CG2-CZ 3.93Å; L421-F464 HydrophobicContact CB-CE1 4.49Å; L421-F464 HydrophobicContact CB-CZ 4.49Å; L421-F464 HydrophobicContact CD1-CD1 4.35Å; L421-F464 HydrophobicContact CD1-CE1 3.89Å; L421-F464 HydrophobicContact CD2-CD1 4.47Å; L421-F464 HydrophobicContact CD2-CE1 4.24Å; L421-F464 HydrophobicContact CG-CE1 4.43Å; L460-F464 WeakPolarHBondContact O-CD2 3.21Å; L460-F464 PolarHBondContact O-N 3.43Å; M461-F464 PolarHBondContact O-N 2.92Å; D462-F464 PolarHBondContact O-N 3.12Å; F464-Q466 VanDerWaalsContact C-N 3.29Å; F464-Q466 PolarHBondContact O-N 3.02Å; F464-F467 PolarHBondContact O-N 2.91Å; F464-L468 HydrophobicContact CB-CD1 4.45Å; F464-L468 HydrophobicContact CD1-CD1 4.14Å; F464-L468 VanDerWaalsContact O-CB 3.25Å; F464-L468 WeakPolarHBondContact O-CB 3.48Å; F464-L468 WeakPolarHBondContact O-CG 3.32Å; F464-L468 PolarHBondContact O-N 2.86Å
465	S	92.1	Very high	90.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-41.5	178.7	-55.6	0	0	0	0	111.1	E364 S365 M461 D462 Y469 H470	E364-S465 PolarHBondContact N-OG 3.42Å; S365-S465 WeakPolarHBondContact CB-OG 3.21Å; S365-S465 PolarHBondContact N-OG 3.39Å; S365-S465 PolarHBondContact OG-N 2.81Å; S365-S465 PolarHBondContact OG-OG 3.15Å; M461-S465 WeakPolarHBondContact O-CB 3.39Å; M461-S465 PolarHBondContact O-N 3.4Å; M461-S465 PolarHBondContact O-OG 3.06Å; D462-S465 PolarHBondContact O-N 3.22Å; S465-Y469 WeakPolarHBondContact O-CB 3.45Å; S465-Y469 PolarHBondContact O-N 3.23Å; S465-Y469 VanDerWaalsContact O-N 3.11Å; S465-H470 PolarHBondContact O-N 3.38Å
466	Q	94.6	Very high	91.2	Very high	13 Å²	13	13.2 Å²	13.2	6%	0.061	7%	0.065	C	C	.	.	I	π-helix	trans	-69.1	-46.1	179.3	-70.6	167	17.6	0	0	112	Y442 D462 M463 F464 H470 A471 G594	Y442-Q466 VanDerWaalsContact CE1-OE1 3.27Å; Y442-Q466 PolarHBondContact OH-OE1 3.4Å; D462-Q466 WeakPolarHBondContact O-CB 3.36Å; D462-Q466 WeakPolarHBondContact O-CG 3.25Å; D462-Q466 PolarHBondContact O-N 2.9Å; M463-Q466 PolarHBondContact O-N 3.23Å; F464-Q466 VanDerWaalsContact C-N 3.29Å; F464-Q466 PolarHBondContact O-N 3.02Å; Q466-H470 PolarHBondContact O-N 3.34Å; Q466-A471 WeakPolarHBondContact O-CB 3.41Å; Q466-A471 PolarHBondContact O-N 3.4Å; Q466-G594 VanDerWaalsContact CD-CA 3.4Å
467	F	93.3	Very high	91.8	Very high	13 Å²	13	13 Å²	13	6%	0.057	6%	0.064	C	C	.	.	I	π-helix	trans	-67.4	-50	-179.5	176.8	-120.6	0	0	0	112.3	P271 L421 H425 F428 M463 F464 P472 W598	P271-F467 HydrophobicContact CB-CE1 4.36Å; P271-F467 HydrophobicContact CB-CZ 4.26Å; P271-F467 HydrophobicContact CG-CE1 3.99Å; P271-F467 HydrophobicContact CG-CE2 4.1Å; P271-F467 HydrophobicContact CG-CZ 3.74Å; L421-F467 HydrophobicContact CD1-CD1 3.87Å; L421-F467 HydrophobicContact CD1-CE1 3.83Å; L421-F467 HydrophobicContact CD2-CD1 4.27Å; H425-F467 HydrophobicContact CB-CZ 4.47Å; H425-F467 AromaticContact CD2-CZ 3.77Å; H425-F467 AromaticContact CE1-CZ 3.68Å; H425-F467 AromaticContact CG-CZ 3.69Å; H425-F467 AromaticContact ND1-CZ 3.62Å; H425-F467 AromaticContact NE2-CZ 3.72Å; F428-F467 HydrophobicContact CE1-CE2 4.38Å; F428-F467 HydrophobicContact CE2-CE2 4.44Å; F428-F467 HydrophobicContact CE2-CZ 4.43Å; F428-F467 AromaticContact CZ-CE2 3.64Å; F428-F467 HydrophobicContact CZ-CE2 3.64Å; F428-F467 AromaticContact CZ-CZ 3.97Å; F428-F467 HydrophobicContact CZ-CZ 3.97Å; M463-F467 VanDerWaalsContact O-CB 3.25Å; M463-F467 WeakPolarHBondContact O-CB 3.49Å; M463-F467 PolarHBondContact O-N 2.97Å; F464-F467 PolarHBondContact O-N 2.91Å; F467-P472 WeakPolarHBondContact O-CD 3.27Å; F467-W598 HydrophobicContact CB-CD2 4.15Å; F467-W598 HydrophobicContact CB-CH2 4.49Å; F467-W598 HydrophobicContact CB-CZ2 3.84Å; F467-W598 AromaticContact CD2-CD2 3.65Å; F467-W598 HydrophobicContact CD2-CD2 3.65Å; F467-W598 AromaticContact CD2-CE2 3.93Å; F467-W598 AromaticContact CD2-CE3 3.58Å; F467-W598 HydrophobicContact CD2-CE3 3.58Å; F467-W598 HydrophobicContact CD2-CG 4.27Å; F467-W598 HydrophobicContact CD2-CH2 4.04Å; F467-W598 HydrophobicContact CD2-CZ2 4.13Å; F467-W598 AromaticContact CD2-CZ3 3.79Å; F467-W598 HydrophobicContact CD2-CZ3 3.79Å; F467-W598 HydrophobicContact CE2-CE3 4.09Å; F467-W598 HydrophobicContact CE2-CZ3 4.13Å; F467-W598 HydrophobicContact CG-CD2 4.32Å; F467-W598 HydrophobicContact CG-CH2 4.32Å; F467-W598 HydrophobicContact CG-CZ2 4.15Å
468	L	90.8	Very high	92.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-80.4	-25.1	-171.1	-64.7	174.4	0	0	0	113.1	N270 P271 L393 I394 F464	N270-L468 PolarHBondContact ND2-O 2.88Å; P271-L468 HydrophobicContact CB-CD2 4.36Å; P271-L468 HydrophobicContact CG-CD2 4.39Å; L393-L468 HydrophobicContact CD2-CD2 4.12Å; I394-L468 HydrophobicContact CD1-CD1 3.86Å; I394-L468 HydrophobicContact CG1-CD1 4.06Å; F464-L468 HydrophobicContact CB-CD1 4.45Å; F464-L468 HydrophobicContact CD1-CD1 4.14Å; F464-L468 VanDerWaalsContact O-CB 3.25Å; F464-L468 WeakPolarHBondContact O-CB 3.48Å; F464-L468 WeakPolarHBondContact O-CG 3.32Å; F464-L468 PolarHBondContact O-N 2.86Å
469	Y	94.2	Very high	93.1	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.053	C	C	.	.	I	π-helix	trans	-135.7	-56.8	-170	-61.1	-86.3	0	0	0	114.4	S265 E364 R390 S465 P472 A473 H511	S265-Y469 VanDerWaalsContact O-CD1 3.25Å; S265-Y469 WeakPolarHBondContact O-CD1 3.23Å; S265-Y469 WeakPolarHBondContact O-CE1 3.42Å; E364-Y469 HydrophobicContact CB-CD2 3.38Å; E364-Y469 HydrophobicContact CB-CE2 3.81Å; E364-Y469 HydrophobicContact CB-CG 3.85Å; E364-Y469 HydrophobicContact CG-CD1 4.28Å; E364-Y469 HydrophobicContact CG-CD2 3.73Å; E364-Y469 HydrophobicContact CG-CE2 4.45Å; E364-Y469 HydrophobicContact CG-CG 3.62Å; R390-Y469 WeakPolarHBondContact CD-OH 3.22Å; S465-Y469 WeakPolarHBondContact O-CB 3.45Å; S465-Y469 PolarHBondContact O-N 3.23Å; S465-Y469 VanDerWaalsContact O-N 3.11Å; Y469-P472 WeakPolarHBondContact O-CD 3.36Å; Y469-A473 WeakPolarHBondContact O-CB 3.26Å; Y469-A473 PolarHBondContact O-N 3.42Å; Y469-H511 AromaticContact CE1-CE1 3.29Å; Y469-H511 WeakPolarHBondContact CE1-CE1 3.5Å; Y469-H511 AromaticContact CE1-ND1 3.38Å; Y469-H511 WeakPolarHBondContact CE1-ND1 3.32Å; Y469-H511 AromaticContact CZ-CE1 3.71Å; Y469-H511 AromaticContact CZ-CG 4Å; Y469-H511 AromaticContact CZ-ND1 3.56Å
470	H	96.1	Very high	93.4	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.048	C	C	.	.	I	π-helix	trans	-65.9	-46.8	-170.5	-50.1	155	0	0	0	112.6	T360 A361 S362 S465 Q466 A473 V474 F590 H591	T360-H470 PolarHBondContact OG1-CD2 2.92Å; A361-H470 PolarHBondContact O-NE2 2.9Å; S362-H470 PolarHBondContact O-CE1 3.47Å; S465-H470 PolarHBondContact O-N 3.38Å; Q466-H470 PolarHBondContact O-N 3.34Å; H470-A473 PolarHBondContact O-N 3.11Å; H470-V474 WeakPolarHBondContact O-CG2 3.4Å; H470-V474 PolarHBondContact O-N 3.48Å; H470-V474 VanDerWaalsContact O-N 3.07Å; H470-F590 HydrophobicContact CB-CE1 4.2Å; H470-H591 HydrophobicContact CB-CB 4.01Å; H470-H591 AromaticContact CD2-CD2 3.96Å; H470-H591 AromaticContact CE1-CD2 3.92Å; H470-H591 AromaticContact CE1-CE1 3.57Å; H470-H591 AromaticContact CE1-CG 3.73Å; H470-H591 AromaticContact CE1-ND1 3.5Å; H470-H591 AromaticContact CE1-NE2 3.86Å; H470-H591 AromaticContact CG-CD2 3.87Å; H470-H591 AromaticContact CG-CG 3.82Å; H470-H591 AromaticContact ND1-CD2 3.87Å; H470-H591 AromaticContact ND1-CG 3.44Å; H470-H591 AromaticContact ND1-ND1 3.6Å; H470-H591 AromaticContact NE2-CD2 3.99Å; H470-H591 AromaticContact NE2-CE1 3.93Å; H470-H591 AromaticContact NE2-NE2 3.83Å
471	A	96	Very high	93.7	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-65.6	-45.2	179.7	0	0	0	0	0	112.4	Q466 A473 V474 R475 H595 W598 N599	Q466-A471 WeakPolarHBondContact O-CB 3.41Å; Q466-A471 PolarHBondContact O-N 3.4Å; A471-A473 PolarHBondContact O-N 3.32Å; A471-V474 PolarHBondContact O-N 3.06Å; A471-R475 WeakPolarHBondContact O-CB 3.25Å; A471-R475 PolarHBondContact O-N 3.06Å; A471-H595 HydrophobicContact CB-CB 4.17Å; A471-W598 HydrophobicContact CB-CB 3.71Å; A471-W598 HydrophobicContact CB-CG 4.37Å; A471-N599 PolarHBondContact O-ND2 3.17Å; A471-N599 PolarHBondContact O-OD1 3.43Å
472	P	95.5	Very high	94	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.013	8%	0.082	C	C	.	.	H	α-helix	trans	-53.4	-46	168.4	-31.4	37.1	0	0	0	114.6	F269 N270 F467 Y469 V474 R475 L476	F269-P472 HydrophobicContact CB-CB 4.12Å; N270-P472 HydrophobicContact CB-CB 4.38Å; N270-P472 HydrophobicContact CB-CG 4.47Å; F467-P472 WeakPolarHBondContact O-CD 3.27Å; Y469-P472 WeakPolarHBondContact O-CD 3.36Å; P472-V474 PolarHBondContact O-N 3.28Å; P472-R475 PolarHBondContact O-N 2.78Å; P472-L476 PolarHBondContact O-N 3.2Å
473	A	96.7	Very high	94.1	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-44.4	179.7	0	0	0	0	0	112.1	V358 T360 Y469 H470 A471 A477	V358-A473 HydrophobicContact CG2-CB 4.06Å; T360-A473 HydrophobicContact CG2-CB 3.88Å; Y469-A473 WeakPolarHBondContact O-CB 3.26Å; Y469-A473 PolarHBondContact O-N 3.42Å; H470-A473 PolarHBondContact O-N 3.11Å; A471-A473 PolarHBondContact O-N 3.32Å; A473-A477 WeakPolarHBondContact O-CB 3.22Å; A473-A477 PolarHBondContact O-N 2.86Å
474	V	96.5	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.6	-44.1	175.3	174.3	0	0	0	0	111.2	H470 A471 P472 L476 A477 E478 F575 F590 H595	H470-V474 WeakPolarHBondContact O-CG2 3.4Å; H470-V474 PolarHBondContact O-N 3.48Å; H470-V474 VanDerWaalsContact O-N 3.07Å; A471-V474 PolarHBondContact O-N 3.06Å; P472-V474 PolarHBondContact O-N 3.28Å; V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 3.36Å; V474-A477 PolarHBondContact O-N 3.47Å; V474-E478 HydrophobicContact CG1-CG 4.17Å; V474-E478 WeakPolarHBondContact O-CB 3.47Å; V474-E478 WeakPolarHBondContact O-CG 3.03Å; V474-E478 PolarHBondContact O-N 2.82Å; V474-F575 HydrophobicContact CG1-CD1 3.78Å; V474-F575 HydrophobicContact CG1-CE1 3.67Å; V474-F590 HydrophobicContact CG2-CD1 3.44Å; V474-F590 VanDerWaalsContact CG2-CD1 3.44Å; V474-F590 HydrophobicContact CG2-CE1 3.92Å; V474-F590 HydrophobicContact CG2-CG 4.49Å; V474-H595 HydrophobicContact CB-CB 4.04Å; V474-H595 HydrophobicContact CG1-CB 4.21Å; V474-H595 HydrophobicContact CG2-CB 4.05Å
475	R	94.6	Very high	94.4	Very high	45 Å²	45	18.2 Å²	18.2	17%	0.17	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-40.5	-179.3	-171.4	175.1	39.7	156.4	-11.9	111.7	F269 E343 A471 P472 S479	F269-R475 HydrophobicContact CD1-CB 3.95Å; F269-R475 HydrophobicContact CD1-CG 3.6Å; F269-R475 HydrophobicContact CE1-CB 4.44Å; F269-R475 HydrophobicContact CE1-CG 3.75Å; F269-R475 PolarHBondContact O-NH2 2.83Å; E343-R475 IonicContact OE1-CZ 3.94Å; E343-R475 IonicContact OE1-NE 3.83Å; E343-R475 IonicContact OE1-NH1 3.51Å; E343-R475 PolarHBondContact OE1-NH1 2.99Å; A471-R475 WeakPolarHBondContact O-CB 3.25Å; A471-R475 PolarHBondContact O-N 3.06Å; P472-R475 PolarHBondContact O-N 2.78Å; R475-S479 WeakPolarHBondContact O-CB 3.18Å; R475-S479 PolarHBondContact O-N 3.2Å; R475-S479 VanDerWaalsContact O-N 3.1Å; R475-S479 PolarHBondContact O-OG 3Å
476	L	95.7	Very high	94.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-47.9	172.8	-172.8	80.8	0	0	0	111.5	L263 F269 L346 I356 V358 P472 V474 E478 S479 Y480	L263-L476 HydrophobicContact CD1-CD2 3.28Å; F269-L476 HydrophobicContact CD1-CB 4.49Å; F269-L476 HydrophobicContact CD2-CD1 3.59Å; F269-L476 HydrophobicContact CE2-CD1 3.56Å; F269-L476 HydrophobicContact CG-CB 4.4Å; F269-L476 HydrophobicContact CG-CD1 4.23Å; F269-L476 HydrophobicContact CZ-CD1 4.18Å; L346-L476 HydrophobicContact CD1-CD1 4.33Å; I356-L476 HydrophobicContact CD1-CD2 4.42Å; V358-L476 HydrophobicContact CG2-CD2 4.37Å; P472-L476 PolarHBondContact O-N 3.2Å; V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 3.36Å; L476-E478 VanDerWaalsContact C-N 3.35Å; L476-E478 PolarHBondContact O-N 2.83Å; L476-S479 WeakPolarHBondContact O-CB 3.39Å; L476-S479 PolarHBondContact O-N 2.96Å; L476-S479 VanDerWaalsContact O-N 3.09Å; L476-Y480 HydrophobicContact CD1-CD2 4.13Å; L476-Y480 HydrophobicContact CD1-CE2 3.85Å; L476-Y480 HydrophobicContact CG-CD2 4.09Å; L476-Y480 HydrophobicContact CG-CE2 4.2Å; L476-Y480 PolarHBondContact O-N 3Å
477	A	96.2	Very high	94.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-44.1	179.1	0	0	0	0	0	112	V358 A473 V474 S479 Y480 D481 V487 F570	V358-A477 HydrophobicContact CG1-CB 4.23Å; A473-A477 WeakPolarHBondContact O-CB 3.22Å; A473-A477 PolarHBondContact O-N 2.86Å; V474-A477 PolarHBondContact O-N 3.47Å; A477-S479 VanDerWaalsContact C-N 3.32Å; A477-S479 PolarHBondContact O-N 3.5Å; A477-Y480 PolarHBondContact O-N 3.37Å; A477-D481 WeakPolarHBondContact O-CB 3.25Å; A477-D481 PolarHBondContact O-N 3.34Å; A477-V487 HydrophobicContact CB-CG1 3.83Å; A477-F570 HydrophobicContact CB-CD1 4.05Å; A477-F570 HydrophobicContact CB-CD2 4.4Å; A477-F570 HydrophobicContact CB-CE1 3.87Å; A477-F570 HydrophobicContact CB-CE2 4.26Å; A477-F570 HydrophobicContact CB-CG 4.3Å; A477-F570 HydrophobicContact CB-CZ 3.99Å
478	E	94.9	Very high	95	Very high	33 Å²	33	18.6 Å²	18.6	15%	0.154	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-42	173.3	-71.5	-173.9	123	0	0	111.5	V474 L476 D481 M482 F570 R572 F575 R600	V474-E478 HydrophobicContact CG1-CG 4.17Å; V474-E478 WeakPolarHBondContact O-CB 3.47Å; V474-E478 WeakPolarHBondContact O-CG 3.03Å; V474-E478 PolarHBondContact O-N 2.82Å; L476-E478 VanDerWaalsContact C-N 3.35Å; L476-E478 PolarHBondContact O-N 2.83Å; E478-D481 PolarHBondContact O-N 2.94Å; E478-M482 WeakPolarHBondContact O-CB 3.43Å; E478-M482 VanDerWaalsContact O-CG 3.29Å; E478-M482 WeakPolarHBondContact O-CG 3.4Å; E478-M482 PolarHBondContact O-N 2.71Å; E478-F570 HydrophobicContact CG-CE1 4.16Å; E478-F570 HydrophobicContact CG-CZ 4.07Å; E478-R572 HydrophobicContact CB-CG 4.4Å; E478-R572 HydrophobicContact CG-CG 4.1Å; E478-F575 HydrophobicContact CG-CE1 4.13Å; E478-F575 WeakPolarHBondContact OE1-CE1 3.22Å; E478-F575 WeakPolarHBondContact OE1-CZ 3.4Å; E478-R600 IonicContact OE1-NH2 3.54Å
479	S	94.3	Very high	95.3	Very high	18 Å²	18	18.6 Å²	18.6	13%	0.126	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-43.4	-179.5	-58	0	0	0	0	112.5	R475 L476 A477 M482 L483	R475-S479 WeakPolarHBondContact O-CB 3.18Å; R475-S479 PolarHBondContact O-N 3.2Å; R475-S479 VanDerWaalsContact O-N 3.1Å; R475-S479 PolarHBondContact O-OG 3Å; L476-S479 WeakPolarHBondContact O-CB 3.39Å; L476-S479 PolarHBondContact O-N 2.96Å; L476-S479 VanDerWaalsContact O-N 3.09Å; A477-S479 VanDerWaalsContact C-N 3.32Å; A477-S479 PolarHBondContact O-N 3.5Å; S479-M482 PolarHBondContact O-N 2.87Å; S479-L483 PolarHBondContact O-N 2.94Å
480	Y	95	Very high	95.5	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-72.4	-35.4	176	-88.3	-99.4	0	0	0	113	L346 I356 L476 A477 M482 L483 G484 A485	L346-Y480 HydrophobicContact CD1-CD2 4.33Å; L346-Y480 HydrophobicContact CD1-CE2 4.02Å; L346-Y480 HydrophobicContact CD2-CD2 3.93Å; L346-Y480 HydrophobicContact CD2-CE1 4.42Å; L346-Y480 HydrophobicContact CD2-CE2 3.54Å; L346-Y480 HydrophobicContact CG-CE2 4.46Å; I356-Y480 HydrophobicContact CD1-CD1 4.04Å; I356-Y480 HydrophobicContact CD1-CD2 3.67Å; I356-Y480 HydrophobicContact CD1-CE2 4.34Å; I356-Y480 HydrophobicContact CD1-CG 3.49Å; I356-Y480 VanDerWaalsContact CD1-CG 3.49Å; I356-Y480 HydrophobicContact CG1-CD1 4.07Å; I356-Y480 HydrophobicContact CG1-CG 3.99Å; I356-Y480 HydrophobicContact CG2-CD1 3.72Å; I356-Y480 HydrophobicContact CG2-CE1 3.55Å; I356-Y480 HydrophobicContact CG2-CE2 4.49Å; I356-Y480 HydrophobicContact CG2-CG 4.28Å; L476-Y480 HydrophobicContact CD1-CD2 4.13Å; L476-Y480 HydrophobicContact CD1-CE2 3.85Å; L476-Y480 HydrophobicContact CG-CD2 4.09Å; L476-Y480 HydrophobicContact CG-CE2 4.2Å; L476-Y480 PolarHBondContact O-N 3Å; A477-Y480 PolarHBondContact O-N 3.37Å; Y480-M482 VanDerWaalsContact C-N 3.32Å; Y480-L483 WeakPolarHBondContact O-CB 3.47Å; Y480-L483 PolarHBondContact O-N 3.45Å; Y480-G484 PolarHBondContact O-N 3.07Å; Y480-A485 HydrophobicContact CD1-CB 3.9Å; Y480-A485 WeakPolarHBondContact O-CB 3.39Å; Y480-A485 PolarHBondContact O-N 2.98Å
481	D	94.3	Very high	95.6	Very high	43 Å²	43	18.5 Å²	18.5	23%	0.23	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-38.4	173.7	-174	78	0	0	0	111.2	A477 E478 L483 G484 V487 F570 R572	A477-D481 WeakPolarHBondContact O-CB 3.25Å; A477-D481 PolarHBondContact O-N 3.34Å; E478-D481 PolarHBondContact O-N 2.94Å; D481-L483 PolarHBondContact O-N 3.1Å; D481-G484 WeakPolarHBondContact O-CA 3.35Å; D481-G484 PolarHBondContact O-N 3.46Å; D481-V487 HydrophobicContact CB-CG2 4.41Å; D481-F570 HydrophobicContact CB-CD1 4.07Å; D481-F570 HydrophobicContact CB-CE1 4.36Å; D481-R572 HydrophobicContact CB-CG 3.99Å; D481-R572 VanDerWaalsContact OD2-CD 3.29Å; D481-R572 WeakPolarHBondContact OD2-CD 3.48Å; D481-R572 VanDerWaalsContact OD2-CG 3.26Å; D481-R572 WeakPolarHBondContact OD2-CG 3.16Å; D481-R572 IonicContact OD2-CZ 2.92Å; D481-R572 IonicContact OD2-NE 2.86Å; D481-R572 PolarHBondContact OD2-NE 3.38Å; D481-R572 IonicContact OD2-NH2 3.65Å
482	M	92.6	Very high	95.6	Very high	115 Å²	115	18.5 Å²	18.5	57%	0.567	11%	0.11	S	C	*	.	H	α-helix	trans	-60.4	-32.4	172.5	-78.7	-173	-60.3	0	0	113.2	E478 S479 Y480 G484	E478-M482 WeakPolarHBondContact O-CB 3.43Å; E478-M482 VanDerWaalsContact O-CG 3.29Å; E478-M482 WeakPolarHBondContact O-CG 3.4Å; E478-M482 PolarHBondContact O-N 2.71Å; S479-M482 PolarHBondContact O-N 2.87Å; Y480-M482 VanDerWaalsContact C-N 3.32Å; M482-G484 PolarHBondContact O-N 3.15Å
483	L	91.2	Very high	95.6	Very high	26 Å²	26	20.2 Å²	20.2	14%	0.136	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.9	173.4	-73.5	177.1	0	0	0	113.7	L346 K353 S479 Y480 D481	L346-L483 HydrophobicContact CB-CD1 4.31Å; L346-L483 HydrophobicContact CD2-CD1 3.47Å; L346-L483 VanDerWaalsContact CD2-CD1 3.47Å; L346-L483 HydrophobicContact CG-CD1 4.5Å; L346-L483 WeakPolarHBondContact O-CD2 3.42Å; K353-L483 VanDerWaalsContact CD-O 3.3Å; K353-L483 WeakPolarHBondContact CD-O 3.41Å; K353-L483 WeakPolarHBondContact CE-O 3.48Å; K353-L483 HydrophobicContact CG-CB 4.45Å; K353-L483 PolarHBondContact NZ-O 3.13Å; S479-L483 PolarHBondContact O-N 2.94Å; Y480-L483 WeakPolarHBondContact O-CB 3.47Å; Y480-L483 PolarHBondContact O-N 3.45Å; D481-L483 PolarHBondContact O-N 3.1Å
484	G	92.8	Very high	95.4	Very high	60 Å²	60	21.2 Å²	21.2	62%	0.619	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	19.3	-173.6	0	0	0	0	0	113.6	Y480 D481 M482	Y480-G484 PolarHBondContact O-N 3.07Å; D481-G484 WeakPolarHBondContact O-CA 3.35Å; D481-G484 PolarHBondContact O-N 3.46Å; M482-G484 PolarHBondContact O-N 3.15Å
485	A	94	Very high	95	Very high	6 Å²	6	22.9 Å²	22.9	5%	0.05	13%	0.132	C	C	.	.			trans	-77.5	149.1	175.9	0	0	0	0	0	111.2	L354 Y480 V487	L354-A485 WeakPolarHBondContact O-CB 3.18Å; Y480-A485 HydrophobicContact CD1-CB 3.9Å; Y480-A485 WeakPolarHBondContact O-CB 3.39Å; Y480-A485 PolarHBondContact O-N 2.98Å; A485-V487 PolarHBondContact O-N 3.4Å
486	P	96.4	Very high	94.5	Very high	28 Å²	28	21 Å²	21	18%	0.182	13%	0.126	C	C	.	.			trans	-66.2	118	169.5	-20.1	33	0	0	0	110.9	P355 I356 Y488	P355-P486 WeakPolarHBondContact CA-O 3.5Å; P355-P486 HydrophobicContact CB-CB 4.19Å; P355-P486 HydrophobicContact CB-CG 4.31Å; P355-P486 HydrophobicContact CG-CG 4.17Å; I356-P486 PolarHBondContact N-O 2.99Å; P486-Y488 HydrophobicContact CB-CE2 4.4Å
487	V	97.9	Very high	93.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.3	179.1	-177.8	0	0	0	0	110.2	I356 A477 D481 A485 R569 F570	I356-V487 HydrophobicContact CD1-CG1 4Å; I356-V487 HydrophobicContact CD1-CG2 4.04Å; I356-V487 HydrophobicContact CG1-CB 4.18Å; I356-V487 HydrophobicContact CG1-CG1 4.01Å; I356-V487 HydrophobicContact CG1-CG2 3.77Å; I356-V487 WeakPolarHBondContact O-CA 3.35Å; A477-V487 HydrophobicContact CB-CG1 3.83Å; D481-V487 HydrophobicContact CB-CG2 4.41Å; A485-V487 PolarHBondContact O-N 3.4Å; V487-R569 CarbonylContact O-C 3.44Å; V487-R569 WeakPolarHBondContact O-CA 3.41Å; V487-F570 HydrophobicContact CB-CB 3.9Å; V487-F570 HydrophobicContact CG1-CB 3.71Å; V487-F570 HydrophobicContact CG1-CD1 4.22Å; V487-F570 HydrophobicContact CG1-CG 4.14Å; V487-F570 PolarHBondContact O-N 2.9Å
488	Y	98.4	Very high	92.6	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.6	172.8	-66.1	-89.9	0	0	0	109.4	I356 L357 V358 P486 F551 N556 P557 W567 R569	I356-Y488 PolarHBondContact O-N 2.83Å; L357-Y488 WeakPolarHBondContact CA-O 3.27Å; V358-Y488 PolarHBondContact N-O 2.92Å; P486-Y488 HydrophobicContact CB-CE2 4.4Å; Y488-F551 HydrophobicContact CD2-CD2 4.25Å; Y488-F551 AromaticContact CD2-CE2 3.92Å; Y488-F551 HydrophobicContact CD2-CE2 3.92Å; Y488-F551 HydrophobicContact CE2-CD2 4.48Å; Y488-F551 HydrophobicContact CE2-CE2 4.24Å; Y488-N556 PolarHBondContact OH-OD1 3.44Å; Y488-P557 HydrophobicContact CD1-CG 3.84Å; Y488-P557 HydrophobicContact CD2-CG 4.19Å; Y488-P557 VanDerWaalsContact CE1-CD 3.48Å; Y488-P557 HydrophobicContact CE1-CG 4.17Å; Y488-P557 HydrophobicContact CG-CG 3.85Å; Y488-W567 HydrophobicContact CD1-CB 4.49Å; Y488-W567 AromaticContact CD1-CD1 3.79Å; Y488-W567 HydrophobicContact CD1-CD2 4.19Å; Y488-W567 AromaticContact CD1-CG 3.91Å; Y488-W567 HydrophobicContact CD1-CG 3.91Å; Y488-W567 AromaticContact CD1-NE1 3.96Å; Y488-W567 WeakPolarHBondContact CE1-O 3.44Å; Y488-R569 HydrophobicContact CE1-CG 3.94Å; Y488-R569 HydrophobicContact CE2-CG 4.27Å
489	L	98.2	Very high	91.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.6	-178.7	-175.7	63.1	0	0	0	110.6	V358 W567 F570 Y577 L578 F590	V358-L489 HydrophobicContact CG1-CD1 3.91Å; V358-L489 CarbonylContact O-C 3.47Å; V358-L489 VanDerWaalsContact O-CA 3.25Å; V358-L489 WeakPolarHBondContact O-CA 3.36Å; L489-W567 VanDerWaalsContact O-CZ2 3.3Å; L489-W567 WeakPolarHBondContact O-CZ2 3.48Å; L489-W567 PolarHBondContact O-NE1 3.46Å; L489-W567 VanDerWaalsContact O-NE1 3.15Å; L489-F570 HydrophobicContact CB-CD2 3.99Å; L489-F570 HydrophobicContact CD2-CD2 3.74Å; L489-F570 HydrophobicContact CD2-CE2 3.71Å; L489-Y577 CarbonylContact O-C 3.57Å; L489-Y577 WeakPolarHBondContact O-CA 3.27Å; L489-Y577 WeakPolarHBondContact O-CB 3.47Å; L489-L578 PolarHBondContact O-N 3.5Å; L489-F590 HydrophobicContact CD1-CE1 4.27Å; L489-F590 HydrophobicContact CD1-CE2 4.26Å; L489-F590 HydrophobicContact CD1-CZ 4.08Å; L489-F590 HydrophobicContact CD2-CB 3.79Å; L489-F590 HydrophobicContact CD2-CD1 3.9Å; L489-F590 HydrophobicContact CD2-CD2 3.97Å; L489-F590 HydrophobicContact CD2-CE1 4.4Å; L489-F590 HydrophobicContact CD2-CE2 4.47Å; L489-F590 HydrophobicContact CD2-CG 3.62Å; L489-F590 HydrophobicContact CG-CD2 4.07Å; L489-F590 HydrophobicContact CG-CE2 4.2Å; L489-F590 HydrophobicContact CG-CG 4.22Å; L489-F590 HydrophobicContact CG-CZ 4.46Å
490	Y	98.2	Very high	90.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.5	174.1	79	-87.3	0	0	0	113.2	L264 L357 V358 G359 T360 F492 D514 F544 W567 L578 I580 F590	L264-Y490 HydrophobicContact CD2-CE1 4.04Å; L264-Y490 WeakPolarHBondContact CD2-OH 3.36Å; L357-Y490 HydrophobicContact CD2-CD1 3.54Å; L357-Y490 HydrophobicContact CD2-CE1 3.66Å; V358-Y490 WeakPolarHBondContact O-CD1 3.17Å; V358-Y490 PolarHBondContact O-N 2.92Å; G359-Y490 VanDerWaalsContact CA-CD1 3.45Å; G359-Y490 WeakPolarHBondContact CA-O 3.44Å; G359-Y490 VanDerWaalsContact N-CE1 3.33Å; T360-Y490 PolarHBondContact N-O 2.82Å; Y490-F492 HydrophobicContact CD2-CB 4.43Å; Y490-F492 HydrophobicContact CE2-CB 4.06Å; Y490-F492 HydrophobicContact CE2-CD2 4.49Å; Y490-D514 PolarHBondContact OH-OD2 3.3Å; Y490-F544 HydrophobicContact CD2-CE2 4.48Å; Y490-F544 HydrophobicContact CE2-CE2 4.31Å; Y490-F544 HydrophobicContact CE2-CZ 4.13Å; Y490-W567 HydrophobicContact CD1-CH2 4.13Å; Y490-W567 HydrophobicContact CG-CH2 4.23Å; Y490-L578 CarbonylContact C-O 3.6Å; Y490-L578 WeakPolarHBondContact CA-O 3.35Å; Y490-L578 WeakPolarHBondContact CB-O 3.26Å; Y490-I580 HydrophobicContact CD2-CG1 3.88Å; Y490-I580 HydrophobicContact CG-CG1 4.27Å; Y490-F590 VanDerWaalsContact O-CE2 3.25Å; Y490-F590 WeakPolarHBondContact O-CE2 3.41Å
491	S	97.7	Very high	88.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.4	161.9	-174.2	0	0	0	0	108.3	T360 D493 L578 I580	T360-S491 CarbonylContact O-C 3.54Å; T360-S491 WeakPolarHBondContact O-CA 3.46Å; S491-D493 VanDerWaalsContact CB-OD1 3.29Å; S491-D493 WeakPolarHBondContact CB-OD1 3.36Å; S491-D493 PolarHBondContact O-N 2.78Å; S491-D493 PolarHBondContact OG-OD1 3.44Å; S491-L578 PolarHBondContact N-O 2.88Å; S491-I580 PolarHBondContact O-N 2.82Å
492	F	97.3	Very high	87.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.2	170.2	-153	-92.3	0	0	0	108.5	T360 S362 Y490 H494 V509 T513 D514 F517 V540 F544 I580	T360-F492 PolarHBondContact O-N 3.37Å; S362-F492 PolarHBondContact N-O 2.95Å; S362-F492 PolarHBondContact OG-O 3.34Å; Y490-F492 HydrophobicContact CD2-CB 4.43Å; Y490-F492 HydrophobicContact CE2-CB 4.06Å; Y490-F492 HydrophobicContact CE2-CD2 4.49Å; F492-H494 WeakPolarHBondContact CD1-O 3.12Å; F492-H494 HydrophobicContact CE1-CB 4.11Å; F492-H494 WeakPolarHBondContact CE1-O 3.25Å; F492-V509 HydrophobicContact CB-CG1 4.47Å; F492-V509 HydrophobicContact CD1-CG1 3.79Å; F492-V509 WeakPolarHBondContact O-CG1 3.29Å; F492-T513 HydrophobicContact CD1-CG2 4.24Å; F492-T513 HydrophobicContact CE1-CG2 4.04Å; F492-D514 HydrophobicContact CD1-CB 4.47Å; F492-D514 HydrophobicContact CD2-CB 3.79Å; F492-D514 HydrophobicContact CE2-CB 4.03Å; F492-D514 HydrophobicContact CG-CB 4.03Å; F492-D514 HydrophobicContact CZ-CB 4.47Å; F492-F517 AromaticContact CE1-CD2 3.6Å; F492-F517 HydrophobicContact CE1-CD2 3.6Å; F492-F517 AromaticContact CE1-CE2 3.84Å; F492-F517 HydrophobicContact CE1-CE2 3.84Å; F492-F517 HydrophobicContact CE1-CG 4.42Å; F492-F517 HydrophobicContact CZ-CB 4.21Å; F492-F517 AromaticContact CZ-CD2 3.54Å; F492-F517 HydrophobicContact CZ-CD2 3.54Å; F492-F517 HydrophobicContact CZ-CE2 4.16Å; F492-F517 AromaticContact CZ-CG 3.92Å; F492-F517 HydrophobicContact CZ-CG 3.92Å; F492-V540 HydrophobicContact CE2-CG1 4.31Å; F492-V540 HydrophobicContact CZ-CG1 3.75Å; F492-F544 HydrophobicContact CD2-CD1 4.33Å; F492-F544 HydrophobicContact CD2-CE1 4.22Å; F492-F544 HydrophobicContact CD2-CZ 4.37Å; F492-F544 HydrophobicContact CE2-CB 4.49Å; F492-F544 AromaticContact CE2-CD1 3.74Å; F492-F544 HydrophobicContact CE2-CD1 3.74Å; F492-F544 HydrophobicContact CE2-CE1 4.03Å; F492-F544 HydrophobicContact CE2-CG 4.03Å; F492-I580 HydrophobicContact CD2-CB 4Å; F492-I580 HydrophobicContact CD2-CG2 3.85Å; F492-I580 HydrophobicContact CE2-CB 4.43Å; F492-I580 HydrophobicContact CE2-CG2 3.78Å
493	D	95	Very high	85.5	Confident	39 Å²	39	33.2 Å²	33.2	21%	0.209	19%	0.186	C	C	.	.			trans	-117.9	8.5	-169.3	-68.9	-8.4	0	0	0	112	S362 S491 S579 I580 T581 K587	S362-D493 WeakPolarHBondContact CB-OD1 3.48Å; S491-D493 VanDerWaalsContact CB-OD1 3.29Å; S491-D493 WeakPolarHBondContact CB-OD1 3.36Å; S491-D493 PolarHBondContact O-N 2.78Å; S491-D493 PolarHBondContact OG-OD1 3.44Å; D493-S579 WeakPolarHBondContact OD2-CB 3.46Å; D493-S579 PolarHBondContact OD2-OG 2.67Å; D493-I580 PolarHBondContact N-O 2.94Å; D493-T581 HydrophobicContact CB-CG2 3.78Å; D493-K587 IonicContact OD2-NZ 2.65Å; D493-K587 PolarHBondContact OD2-NZ 2.85Å
494	H	93	Very high	84.1	Confident	24 Å²	24	32.7 Å²	32.7	11%	0.111	18%	0.183	C	C	.	.			trans	-109	141.7	179.9	-173.4	70	0	0	0	112.2	F492 V509 F517 D537 V540 I580	F492-H494 WeakPolarHBondContact CD1-O 3.12Å; F492-H494 HydrophobicContact CE1-CB 4.11Å; F492-H494 WeakPolarHBondContact CE1-O 3.25Å; H494-V509 WeakPolarHBondContact O-CG1 3.38Å; H494-F517 AromaticContact CD2-CE1 3.56Å; H494-F517 AromaticContact CD2-CE2 4Å; H494-F517 AromaticContact CD2-CZ 3.27Å; H494-F517 WeakPolarHBondContact CD2-CZ 3.16Å; H494-F517 AromaticContact NE2-CE1 3.89Å; H494-F517 AromaticContact NE2-CZ 3.73Å; H494-D537 IonicContact CD2-OD1 3.94Å; H494-D537 IonicContact CE1-OD1 3.91Å; H494-D537 IonicContact NE2-OD1 3.87Å; H494-D537 PolarHBondContact NE2-OD1 3.02Å; H494-V540 HydrophobicContact CB-CG1 4.06Å; H494-V540 HydrophobicContact CB-CG2 4.19Å; H494-I580 PolarHBondContact N-O 3.22Å
495	I	87.1	Confident	82.4	Confident	36 Å²	36	37.3 Å²	37.3	19%	0.185	19%	0.188	C	C	.	.			trans	-138.9	138.6	173.9	-166.8	134.8	0	0	0	109.7	L499 F500 G508 V509 F510 T513	I495-L499 HydrophobicContact CG1-CD1 4.16Å; I495-F500 HydrophobicContact CD1-CD2 4.26Å; I495-F500 HydrophobicContact CD1-CE2 3.19Å; I495-F500 HydrophobicContact CD1-CZ 3.56Å; I495-F500 HydrophobicContact CG1-CD2 4.09Å; I495-F500 HydrophobicContact CG1-CE2 3.41Å; I495-F500 VanDerWaalsContact CG1-CE2 3.41Å; I495-F500 HydrophobicContact CG1-CZ 4.28Å; I495-G508 WeakPolarHBondContact CD1-O 3.37Å; I495-V509 HydrophobicContact CB-CG2 4.21Å; I495-F510 HydrophobicContact CD1-CD1 3.98Å; I495-F510 HydrophobicContact CD1-CE1 4.09Å; I495-T513 HydrophobicContact CD1-CG2 4.47Å
496	S	83.9	Confident	80.8	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.042	19%	0.191	C	C	.	.			trans	-73.3	136	178.1	179.6	0	0	0	0	110.5	S498 L499 D537	S496-S498 PolarHBondContact O-N 3.34Å; S496-S498 VanDerWaalsContact O-N 3.12Å; S496-S498 WeakPolarHBondContact OG-CB 3.35Å; S496-S498 PolarHBondContact OG-N 3.19Å; S496-S498 PolarHBondContact OG-OG 2.93Å; S496-L499 PolarHBondContact O-N 2.78Å; S496-L499 VanDerWaalsContact O-N 3.13Å; S496-D537 WeakPolarHBondContact CA-OD1 3.22Å; S496-D537 VanDerWaalsContact CB-OD2 3.25Å; S496-D537 WeakPolarHBondContact CB-OD2 3.3Å; S496-D537 PolarHBondContact OG-OD2 2.7Å
497	D	78.9	Confident	79.3	Confident	77 Å²	77	43.6 Å²	43.6	41%	0.412	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-59.8	-19.4	171.2	-73.6	-31.1	0	0	0	112.3	L499 N533	D497-L499 VanDerWaalsContact C-N 3.3Å; D497-L499 PolarHBondContact O-N 2.81Å; D497-N533 PolarHBondContact OD2-ND2 3.46Å
498	S	72.8	Confident	78.2	Confident	19 Å²	19	43.7 Å²	43.7	13%	0.133	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-73.2	-19	177.9	68.4	0	0	0	0	114	S496	S496-S498 PolarHBondContact O-N 3.34Å; S496-S498 VanDerWaalsContact O-N 3.12Å; S496-S498 WeakPolarHBondContact OG-CB 3.35Å; S496-S498 PolarHBondContact OG-N 3.19Å; S496-S498 PolarHBondContact OG-OG 2.93Å
499	L	72.2	Confident	77.7	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.026	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-82.3	-17.9	-175.5	-66.1	177.4	0	0	0	113.2	I495 S496 D497 F510 V523 A526	I495-L499 HydrophobicContact CG1-CD1 4.16Å; S496-L499 PolarHBondContact O-N 2.78Å; S496-L499 VanDerWaalsContact O-N 3.13Å; D497-L499 VanDerWaalsContact C-N 3.3Å; D497-L499 PolarHBondContact O-N 2.81Å; L499-F510 HydrophobicContact CD1-CE1 4.09Å; L499-F510 HydrophobicContact CD1-CZ 4.25Å; L499-V523 HydrophobicContact CD2-CG2 3.43Å; L499-V523 VanDerWaalsContact CD2-CG2 3.43Å; L499-A526 HydrophobicContact CD2-CB 4.18Å
500	F	67.4	Low	77.2	Confident	20 Å²	20	43.7 Å²	43.7	9%	0.088	21%	0.212	C	C	.	.			trans	-126	145.3	-173.2	-62.8	-93.4	0	0	0	111.3	I495 D504 W506 F510	I495-F500 HydrophobicContact CD1-CD2 4.26Å; I495-F500 HydrophobicContact CD1-CE2 3.19Å; I495-F500 HydrophobicContact CD1-CZ 3.56Å; I495-F500 HydrophobicContact CG1-CD2 4.09Å; I495-F500 HydrophobicContact CG1-CE2 3.41Å; I495-F500 VanDerWaalsContact CG1-CE2 3.41Å; I495-F500 HydrophobicContact CG1-CZ 4.28Å; F500-D504 HydrophobicContact CB-CB 4.14Å; F500-D504 HydrophobicContact CD1-CB 3.82Å; F500-D504 HydrophobicContact CG-CB 4.48Å; F500-W506 HydrophobicContact CD1-CD2 4.41Å; F500-W506 HydrophobicContact CD1-CH2 4.26Å; F500-W506 HydrophobicContact CD1-CZ2 4.15Å; F500-W506 HydrophobicContact CD1-CZ3 4.46Å; F500-W506 AromaticContact CE1-CD2 3.88Å; F500-W506 HydrophobicContact CE1-CD2 3.88Å; F500-W506 AromaticContact CE1-CE2 3.98Å; F500-W506 AromaticContact CE1-CE3 3.6Å; F500-W506 HydrophobicContact CE1-CE3 3.6Å; F500-W506 AromaticContact CE1-CH2 3.48Å; F500-W506 HydrophobicContact CE1-CH2 3.48Å; F500-W506 VanDerWaalsContact CE1-CH2 3.48Å; F500-W506 AromaticContact CE1-CZ2 3.8Å; F500-W506 HydrophobicContact CE1-CZ2 3.8Å; F500-W506 AromaticContact CE1-CZ3 3.39Å; F500-W506 HydrophobicContact CE1-CZ3 3.39Å; F500-W506 WeakPolarHBondContact CE1-O 3.39Å; F500-W506 HydrophobicContact CZ-CE3 4.39Å; F500-W506 HydrophobicContact CZ-CH2 4.15Å; F500-W506 AromaticContact CZ-CZ3 3.93Å; F500-W506 HydrophobicContact CZ-CZ3 3.93Å; F500-F510 HydrophobicContact CE2-CE1 4.44Å; F500-F510 HydrophobicContact CZ-CD1 4.13Å; F500-F510 HydrophobicContact CZ-CE1 4.2Å
501	S	61.9	Low	76.7	Confident	27 Å²	27	43.7 Å²	43.7	19%	0.189	21%	0.212	C	C	.	.			trans	-82.6	162.1	165.6	66.9	0	0	0	0	110.5	E503 D504	S501-E503 PolarHBondContact O-N 3.39Å; S501-E503 VanDerWaalsContact O-N 3.13Å; S501-D504 WeakPolarHBondContact CB-OD2 3.14Å; S501-D504 PolarHBondContact N-OD2 2.78Å; S501-D504 PolarHBondContact O-N 3.28Å; S501-D504 VanDerWaalsContact OG-CG 3.31Å; S501-D504 PolarHBondContact OG-OD2 3.17Å
502	E	62	Low	76.3	Confident	172 Å²	172	43.7 Å²	43.7	80%	0.804	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.9	173.6	-68.4	-173.7	173	0	0	112.7
503	E	59.7	Low	75.9	Confident	147 Å²	147	43.7 Å²	43.7	69%	0.687	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.5	177.5	-59.5	-177.5	-176.8	0	0	113.7	S501 H505	S501-E503 PolarHBondContact O-N 3.39Å; S501-E503 VanDerWaalsContact O-N 3.13Å; E503-H505 PolarHBondContact O-CD2 3.24Å; E503-H505 PolarHBondContact O-N 3.38Å; E503-H505 VanDerWaalsContact O-N 3.12Å
504	D	61.9	Low	75.8	Confident	14 Å²	14	41.9 Å²	41.9	8%	0.075	20%	0.202	C	C	.	.			trans	-80.1	98	-179.9	-69.1	-58.1	0	0	0	109.6	K374 F500 S501 W506	K374-D504 VanDerWaalsContact CE-OD1 3.32Å; K374-D504 WeakPolarHBondContact CE-OD1 3.33Å; K374-D504 IonicContact NZ-OD1 3.81Å; K374-D504 PolarHBondContact NZ-OD1 2.94Å; K374-D504 VanDerWaalsContact NZ-OD1 3.17Å; K374-D504 IonicContact NZ-OD2 2.73Å; K374-D504 PolarHBondContact NZ-OD2 2.99Å; F500-D504 HydrophobicContact CB-CB 4.14Å; F500-D504 HydrophobicContact CD1-CB 3.82Å; F500-D504 HydrophobicContact CG-CB 4.48Å; S501-D504 WeakPolarHBondContact CB-OD2 3.14Å; S501-D504 PolarHBondContact N-OD2 2.78Å; S501-D504 PolarHBondContact O-N 3.28Å; S501-D504 VanDerWaalsContact OG-CG 3.31Å; S501-D504 PolarHBondContact OG-OD2 3.17Å; D504-W506 PolarHBondContact O-N 3.34Å; D504-W506 PolarHBondContact OD1-NE1 2.88Å
505	H	56.2	Low	75.8	Confident	157 Å²	157	40.7 Å²	40.7	73%	0.727	20%	0.197	S	C	*	.			trans	-71.7	-11.4	176.1	-62.5	-65.3	0	0	0	113.8	E503 K507	E503-H505 PolarHBondContact O-CD2 3.24Å; E503-H505 PolarHBondContact O-N 3.38Å; E503-H505 VanDerWaalsContact O-N 3.12Å; H505-K507 PolarHBondContact O-N 3.31Å
506	W	59.8	Low	75.8	Confident	31 Å²	31	40 Å²	40	12%	0.117	20%	0.195	C	C	.	.			trans	-96.4	61.9	-176.6	60.1	-84.1	0	0	0	111.1	L367 M371 F500 D504 G508	L367-W506 HydrophobicContact CD1-CH2 4.15Å; L367-W506 HydrophobicContact CD1-CZ3 4.36Å; M371-W506 HydrophobicContact CB-CH2 4.2Å; M371-W506 HydrophobicContact CB-CZ2 4.47Å; F500-W506 HydrophobicContact CD1-CD2 4.41Å; F500-W506 HydrophobicContact CD1-CH2 4.26Å; F500-W506 HydrophobicContact CD1-CZ2 4.15Å; F500-W506 HydrophobicContact CD1-CZ3 4.46Å; F500-W506 AromaticContact CE1-CD2 3.88Å; F500-W506 HydrophobicContact CE1-CD2 3.88Å; F500-W506 AromaticContact CE1-CE2 3.98Å; F500-W506 AromaticContact CE1-CE3 3.6Å; F500-W506 HydrophobicContact CE1-CE3 3.6Å; F500-W506 AromaticContact CE1-CH2 3.48Å; F500-W506 HydrophobicContact CE1-CH2 3.48Å; F500-W506 VanDerWaalsContact CE1-CH2 3.48Å; F500-W506 AromaticContact CE1-CZ2 3.8Å; F500-W506 HydrophobicContact CE1-CZ2 3.8Å; F500-W506 AromaticContact CE1-CZ3 3.39Å; F500-W506 HydrophobicContact CE1-CZ3 3.39Å; F500-W506 WeakPolarHBondContact CE1-O 3.39Å; F500-W506 HydrophobicContact CZ-CE3 4.39Å; F500-W506 HydrophobicContact CZ-CH2 4.15Å; F500-W506 AromaticContact CZ-CZ3 3.93Å; F500-W506 HydrophobicContact CZ-CZ3 3.93Å; D504-W506 PolarHBondContact O-N 3.34Å; D504-W506 PolarHBondContact OD1-NE1 2.88Å; W506-G508 PolarHBondContact O-N 3.36Å
507	K	64.7	Low	76.2	Confident	135 Å²	135	40.4 Å²	40.4	59%	0.587	20%	0.196	S	C	*	.			trans	-80.5	85.2	-179.7	-64.7	-172	-179.6	-172.7	0	110.8	H505	H505-K507 PolarHBondContact O-N 3.31Å
508	G	76.8	Confident	77	Confident	3 Å²	3	36.8 Å²	36.8	3%	0.031	18%	0.176	C	C	.	.			trans	-124.3	139.7	176.9	0	0	0	0	0	112.4	I495 W506 F510	I495-G508 WeakPolarHBondContact CD1-O 3.37Å; W506-G508 PolarHBondContact O-N 3.36Å; G508-F510 PolarHBondContact O-N 2.96Å
509	V	87.7	Confident	77.9	Confident	6 Å²	6	35.9 Å²	35.9	4%	0.036	17%	0.17	C	C	.	.			trans	-69.5	100.4	171.8	-169.2	0	0	0	0	109.3	A361 S362 H363 F492 H494 I495 T513	A361-V509 HydrophobicContact CB-CG1 4.07Å; A361-V509 VanDerWaalsContact CB-O 3.28Å; A361-V509 WeakPolarHBondContact CB-O 3.5Å; S362-V509 VanDerWaalsContact OG-CB 3.3Å; S362-V509 WeakPolarHBondContact OG-CB 3.38Å; S362-V509 VanDerWaalsContact OG-CG2 3.29Å; S362-V509 WeakPolarHBondContact OG-CG2 3.26Å; H363-V509 CarbonylContact C-O 3.55Å; H363-V509 VanDerWaalsContact CA-O 3.25Å; H363-V509 WeakPolarHBondContact CA-O 3.42Å; H363-V509 PolarHBondContact N-O 2.99Å; F492-V509 HydrophobicContact CB-CG1 4.47Å; F492-V509 HydrophobicContact CD1-CG1 3.79Å; F492-V509 WeakPolarHBondContact O-CG1 3.29Å; H494-V509 WeakPolarHBondContact O-CG1 3.38Å; I495-V509 HydrophobicContact CB-CG2 4.21Å; V509-T513 HydrophobicContact CG1-CG2 3.77Å
510	F	86.9	Confident	78.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.			trans	-86.6	167.6	-171.3	63.4	-94.9	0	0	0	113.9	A361 H363 A366 L367 I387 I495 L499 F500 G508 G512 T513 F525	A361-F510 WeakPolarHBondContact CB-O 3.45Å; H363-F510 WeakPolarHBondContact O-CA 3.29Å; A366-F510 HydrophobicContact CB-CB 4.1Å; L367-F510 HydrophobicContact CB-CB 3.69Å; L367-F510 HydrophobicContact CB-CD2 3.99Å; L367-F510 HydrophobicContact CB-CG 3.89Å; L367-F510 HydrophobicContact CD1-CD1 4.32Å; L367-F510 HydrophobicContact CD1-CD2 4.11Å; L367-F510 HydrophobicContact CD1-CE1 4.47Å; L367-F510 HydrophobicContact CD1-CE2 4.3Å; L367-F510 HydrophobicContact CD1-CG 4.15Å; L367-F510 HydrophobicContact CD1-CZ 4.49Å; L367-F510 HydrophobicContact CD2-CD2 3.89Å; L367-F510 HydrophobicContact CD2-CE2 4.21Å; L367-F510 HydrophobicContact CG-CD2 4.25Å; L367-F510 HydrophobicContact CG-CG 4.46Å; I387-F510 HydrophobicContact CG2-CD2 4.26Å; I387-F510 HydrophobicContact CG2-CE2 3.89Å; I495-F510 HydrophobicContact CD1-CD1 3.98Å; I495-F510 HydrophobicContact CD1-CE1 4.09Å; L499-F510 HydrophobicContact CD1-CE1 4.09Å; L499-F510 HydrophobicContact CD1-CZ 4.25Å; F500-F510 HydrophobicContact CE2-CE1 4.44Å; F500-F510 HydrophobicContact CZ-CD1 4.13Å; F500-F510 HydrophobicContact CZ-CE1 4.2Å; G508-F510 PolarHBondContact O-N 2.96Å; F510-G512 PolarHBondContact O-N 2.69Å; F510-T513 WeakPolarHBondContact CG-OG1 3.32Å; F510-T513 PolarHBondContact N-OG1 3.38Å; F510-T513 VanDerWaalsContact O-CB 3.25Å; F510-T513 WeakPolarHBondContact O-CB 3.15Å; F510-T513 PolarHBondContact O-N 3.35Å; F510-T513 PolarHBondContact O-OG1 3.26Å; F510-F525 HydrophobicContact CE1-CZ 4.16Å; F510-F525 HydrophobicContact CE2-CZ 4.45Å; F510-F525 AromaticContact CZ-CZ 3.83Å; F510-F525 HydrophobicContact CZ-CZ 3.83Å
511	H	88.6	Confident	79.1	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	126.4	177.6	-172.6	62.5	0	0	0	112.6	H238 S265 E364 I387 E389 Y469 T513	H238-H511 AromaticContact CE1-CD2 3.77Å; H238-H511 AromaticContact CE1-CE1 3.28Å; H238-H511 PolarHBondContact CE1-CE1 2.84Å; H238-H511 AromaticContact CE1-ND1 3.91Å; H238-H511 AromaticContact CE1-NE2 3.19Å; H238-H511 PolarHBondContact CE1-NE2 2.83Å; H238-H511 AromaticContact ND1-NE2 3.93Å; H238-H511 AromaticContact NE2-CE1 3.66Å; H238-H511 AromaticContact NE2-NE2 4Å; S265-H511 PolarHBondContact O-CE1 2.82Å; S265-H511 VanDerWaalsContact O-CE1 3.32Å; E364-H511 VanDerWaalsContact O-CB 3.25Å; E364-H511 WeakPolarHBondContact O-CB 3.28Å; E364-H511 PolarHBondContact O-N 2.86Å; E364-H511 WeakPolarHBondContact OE2-CA 3.48Å; E364-H511 VanDerWaalsContact OE2-CB 3.27Å; E364-H511 WeakPolarHBondContact OE2-CB 3.3Å; E364-H511 IonicContact OE2-CE1 3.02Å; E364-H511 IonicContact OE2-CG 2.6Å; E364-H511 IonicContact OE2-ND1 3.59Å; E364-H511 PolarHBondContact OE2-ND1 3.42Å; I387-H511 WeakPolarHBondContact CG2-O 3.02Å; E389-H511 IonicContact OE2-NE2 2.85Å; Y469-H511 AromaticContact CE1-CE1 3.29Å; Y469-H511 WeakPolarHBondContact CE1-CE1 3.5Å; Y469-H511 AromaticContact CE1-ND1 3.38Å; Y469-H511 WeakPolarHBondContact CE1-ND1 3.32Å; Y469-H511 AromaticContact CZ-CE1 3.71Å; Y469-H511 AromaticContact CZ-CG 4Å; Y469-H511 AromaticContact CZ-ND1 3.56Å; H511-T513 VanDerWaalsContact C-N 3.3Å; H511-T513 PolarHBondContact O-N 3.5Å
512	G	87.8	Confident	79.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	7.5	-177	0	0	0	0	0	115.7	H238 F510 D514 L515 V516	H238-G512 WeakPolarHBondContact NE2-CA 3.34Å; H238-G512 PolarHBondContact NE2-N 2.89Å; F510-G512 PolarHBondContact O-N 2.69Å; G512-D514 PolarHBondContact O-N 3.14Å; G512-L515 VanDerWaalsContact O-CB 3.31Å; G512-L515 WeakPolarHBondContact O-CB 3.22Å; G512-L515 PolarHBondContact O-N 2.8Å; G512-V516 PolarHBondContact O-N 3.03Å
513	T	89.5	Confident	79.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-39.8	169.7	-60.4	0	0	0	0	110.8	F492 I495 V509 F510 H511 L515 V516 F517	F492-T513 HydrophobicContact CD1-CG2 4.24Å; F492-T513 HydrophobicContact CE1-CG2 4.04Å; I495-T513 HydrophobicContact CD1-CG2 4.47Å; V509-T513 HydrophobicContact CG1-CG2 3.77Å; F510-T513 WeakPolarHBondContact CG-OG1 3.32Å; F510-T513 PolarHBondContact N-OG1 3.38Å; F510-T513 VanDerWaalsContact O-CB 3.25Å; F510-T513 WeakPolarHBondContact O-CB 3.15Å; F510-T513 PolarHBondContact O-N 3.35Å; F510-T513 PolarHBondContact O-OG1 3.26Å; H511-T513 VanDerWaalsContact C-N 3.3Å; H511-T513 PolarHBondContact O-N 3.5Å; T513-L515 VanDerWaalsContact C-N 3.25Å; T513-L515 PolarHBondContact O-N 3.03Å; T513-V516 VanDerWaalsContact O-CB 3.3Å; T513-V516 WeakPolarHBondContact O-CB 3.45Å; T513-V516 PolarHBondContact O-N 2.88Å; T513-F517 HydrophobicContact CG2-CD2 4.13Å; T513-F517 HydrophobicContact CG2-CE2 3.74Å; T513-F517 VanDerWaalsContact O-CD2 3.24Å; T513-F517 WeakPolarHBondContact O-CD2 3.41Å; T513-F517 PolarHBondContact O-N 3.43Å
514	D	92.7	Very high	79.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-34	175.1	56.1	2.2	0	0	0	112.9	H238 Y490 F492 G512 F517 L518 F544	H238-D514 IonicContact CD2-OD1 3.6Å; H238-D514 IonicContact NE2-OD1 3.36Å; Y490-D514 PolarHBondContact OH-OD2 3.3Å; F492-D514 HydrophobicContact CD1-CB 4.47Å; F492-D514 HydrophobicContact CD2-CB 3.79Å; F492-D514 HydrophobicContact CE2-CB 4.03Å; F492-D514 HydrophobicContact CG-CB 4.03Å; F492-D514 HydrophobicContact CZ-CB 4.47Å; G512-D514 PolarHBondContact O-N 3.14Å; D514-F517 PolarHBondContact O-N 3.44Å; D514-L518 WeakPolarHBondContact O-CB 3.18Å; D514-L518 WeakPolarHBondContact O-CG 3.29Å; D514-L518 PolarHBondContact O-N 2.9Å; D514-F544 HydrophobicContact CB-CE1 3.89Å; D514-F544 HydrophobicContact CB-CZ 4.46Å
515	L	92.3	Very high	79.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.2	-35.7	172.3	-55.8	-172.3	0	0	0	113.4	W153 Y167 H238 L264 G512 T513 F517 L518 F519 L521	W153-L515 HydrophobicContact CH2-CD2 3.56Å; W153-L515 HydrophobicContact CZ2-CD2 4.07Å; Y167-L515 HydrophobicContact CE1-CD1 4.49Å; H238-L515 HydrophobicContact CB-CD1 3.98Å; H238-L515 HydrophobicContact CB-CD2 3.79Å; H238-L515 HydrophobicContact CB-CG 4.27Å; L264-L515 HydrophobicContact CD1-CD2 4.22Å; G512-L515 VanDerWaalsContact O-CB 3.31Å; G512-L515 WeakPolarHBondContact O-CB 3.22Å; G512-L515 PolarHBondContact O-N 2.8Å; T513-L515 VanDerWaalsContact C-N 3.25Å; T513-L515 PolarHBondContact O-N 3.03Å; L515-F517 PolarHBondContact O-N 2.99Å; L515-L518 PolarHBondContact O-N 3.41Å; L515-F519 HydrophobicContact CB-CD2 4.33Å; L515-F519 HydrophobicContact CD2-CD2 3.97Å; L515-F519 HydrophobicContact CD2-CE2 3.88Å; L515-F519 PolarHBondContact O-N 3.45Å; L515-L521 HydrophobicContact CB-CD1 3.58Å; L515-L521 HydrophobicContact CB-CG 4.42Å; L515-L521 HydrophobicContact CD1-CD1 4.23Å
516	V	88.3	Confident	79.6	Confident	22 Å²	22	24.2 Å²	24.2	13%	0.133	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-44.5	174.7	179.9	0	0	0	0	109.5	I387 G512 T513 D520 V523	I387-V516 HydrophobicContact CD1-CG2 4.03Å; G512-V516 PolarHBondContact O-N 3.03Å; T513-V516 VanDerWaalsContact O-CB 3.3Å; T513-V516 WeakPolarHBondContact O-CB 3.45Å; T513-V516 PolarHBondContact O-N 2.88Å; V516-D520 WeakPolarHBondContact O-CA 3.3Å; V516-D520 PolarHBondContact O-N 2.8Å; V516-V523 HydrophobicContact CG2-CG2 4.23Å
517	F	92.7	Very high	79.3	Confident	14 Å²	14	25.5 Å²	25.5	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-73.2	-39.1	177.9	-71.3	-86.1	0	0	0	113.6	F492 H494 T513 D514 L515 D537 V540 T541	F492-F517 AromaticContact CE1-CD2 3.6Å; F492-F517 HydrophobicContact CE1-CD2 3.6Å; F492-F517 AromaticContact CE1-CE2 3.84Å; F492-F517 HydrophobicContact CE1-CE2 3.84Å; F492-F517 HydrophobicContact CE1-CG 4.42Å; F492-F517 HydrophobicContact CZ-CB 4.21Å; F492-F517 AromaticContact CZ-CD2 3.54Å; F492-F517 HydrophobicContact CZ-CD2 3.54Å; F492-F517 HydrophobicContact CZ-CE2 4.16Å; F492-F517 AromaticContact CZ-CG 3.92Å; F492-F517 HydrophobicContact CZ-CG 3.92Å; H494-F517 AromaticContact CD2-CE1 3.56Å; H494-F517 AromaticContact CD2-CE2 4Å; H494-F517 AromaticContact CD2-CZ 3.27Å; H494-F517 WeakPolarHBondContact CD2-CZ 3.16Å; H494-F517 AromaticContact NE2-CE1 3.89Å; H494-F517 AromaticContact NE2-CZ 3.73Å; T513-F517 HydrophobicContact CG2-CD2 4.13Å; T513-F517 HydrophobicContact CG2-CE2 3.74Å; T513-F517 VanDerWaalsContact O-CD2 3.24Å; T513-F517 WeakPolarHBondContact O-CD2 3.41Å; T513-F517 PolarHBondContact O-N 3.43Å; D514-F517 PolarHBondContact O-N 3.44Å; L515-F517 PolarHBondContact O-N 2.99Å; F517-D537 HydrophobicContact CE1-CB 3.74Å; F517-V540 HydrophobicContact CD1-CB 4.39Å; F517-V540 HydrophobicContact CD1-CG1 4.2Å; F517-V540 HydrophobicContact CE1-CB 4.47Å; F517-V540 HydrophobicContact CE1-CG1 4.44Å; F517-T541 WeakPolarHBondContact CD1-OG1 3.47Å; F517-T541 WeakPolarHBondContact O-CG2 3.41Å; F517-T541 PolarHBondContact O-OG1 3.1Å
518	L	95.2	Very high	78.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-76.4	-34.2	-177	-73.1	179	0	0	0	113.9	N175 F176 L264 D514 L515 F544 L548	N175-L518 PolarHBondContact ND2-O 2.81Å; F176-L518 HydrophobicContact CZ-CB 4.5Å; F176-L518 HydrophobicContact CZ-CD2 4.03Å; L264-L518 HydrophobicContact CD1-CD1 3.76Å; D514-L518 WeakPolarHBondContact O-CB 3.18Å; D514-L518 WeakPolarHBondContact O-CG 3.29Å; D514-L518 PolarHBondContact O-N 2.9Å; L515-L518 PolarHBondContact O-N 3.41Å; L518-F544 HydrophobicContact CD1-CD1 4.12Å; L518-F544 HydrophobicContact CD1-CE1 3.64Å; L518-F544 HydrophobicContact CD2-CD1 3.56Å; L518-F544 HydrophobicContact CD2-CE1 3.96Å; L518-F544 HydrophobicContact CD2-CG 4.44Å; L518-F544 HydrophobicContact CG-CD1 3.76Å; L518-F544 HydrophobicContact CG-CE1 3.79Å; L518-L548 HydrophobicContact CD1-CD1 3.77Å; L518-L548 HydrophobicContact CD2-CD1 3.82Å; L518-L548 HydrophobicContact CG-CD1 4.44Å
519	F	91.6	Very high	77.6	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-123.1	6.7	-170.6	-61.9	-71.2	0	0	0	113.8	W153 Y167 K168 A171 I172 F176 F183 M236 L515 L521	W153-F519 HydrophobicContact CD2-CE2 4.31Å; W153-F519 AromaticContact CD2-CZ 3.83Å; W153-F519 HydrophobicContact CD2-CZ 3.83Å; W153-F519 AromaticContact CE2-CE2 3.97Å; W153-F519 AromaticContact CE2-CZ 3.85Å; W153-F519 HydrophobicContact CE3-CE2 4.28Å; W153-F519 AromaticContact CE3-CZ 3.92Å; W153-F519 HydrophobicContact CE3-CZ 3.92Å; W153-F519 HydrophobicContact CG-CZ 4.46Å; W153-F519 AromaticContact CH2-CE2 3.56Å; W153-F519 HydrophobicContact CH2-CE2 3.56Å; W153-F519 HydrophobicContact CH2-CZ 4.03Å; W153-F519 HydrophobicContact CZ2-CD2 4.46Å; W153-F519 AromaticContact CZ2-CE2 3.6Å; W153-F519 HydrophobicContact CZ2-CE2 3.6Å; W153-F519 AromaticContact CZ2-CZ 3.97Å; W153-F519 HydrophobicContact CZ2-CZ 3.97Å; W153-F519 AromaticContact CZ3-CE2 3.91Å; W153-F519 HydrophobicContact CZ3-CE2 3.91Å; W153-F519 HydrophobicContact CZ3-CZ 4Å; Y167-F519 HydrophobicContact CD1-CB 3.85Å; Y167-F519 AromaticContact CD1-CD1 3.89Å; Y167-F519 HydrophobicContact CD1-CD1 3.89Å; Y167-F519 AromaticContact CD1-CD2 3.56Å; Y167-F519 HydrophobicContact CD1-CD2 3.56Å; Y167-F519 HydrophobicContact CD1-CE1 4.3Å; Y167-F519 HydrophobicContact CD1-CE2 4.01Å; Y167-F519 AromaticContact CD1-CG 3.49Å; Y167-F519 HydrophobicContact CD1-CG 3.49Å; Y167-F519 VanDerWaalsContact CD1-CG 3.49Å; Y167-F519 HydrophobicContact CD1-CZ 4.35Å; Y167-F519 AromaticContact CE1-CD2 3.99Å; Y167-F519 HydrophobicContact CE1-CD2 3.99Å; Y167-F519 HydrophobicContact CE1-CE2 4.24Å; Y167-F519 HydrophobicContact CE1-CG 4.37Å; Y167-F519 HydrophobicContact CG-CD1 4.19Å; Y167-F519 HydrophobicContact CG-CE1 4.5Å; Y167-F519 HydrophobicContact CG-CG 4.22Å; K168-F519 WeakPolarHBondContact CB-O 3.31Å; A171-F519 WeakPolarHBondContact CB-O 3.48Å; I172-F519 HydrophobicContact CG1-CD1 3.94Å; I172-F519 HydrophobicContact CG1-CE1 4Å; F176-F519 HydrophobicContact CE2-CD1 4.43Å; F176-F519 AromaticContact CE2-CE1 3.79Å; F176-F519 HydrophobicContact CE2-CE1 3.79Å; F176-F519 HydrophobicContact CE2-CZ 4.15Å; F176-F519 HydrophobicContact CZ-CE1 4.45Å; F176-F519 HydrophobicContact CZ-CZ 4.36Å; F183-F519 HydrophobicContact CE1-CE1 4.48Å; F183-F519 HydrophobicContact CE2-CE1 4.3Å; F183-F519 HydrophobicContact CE2-CZ 4.49Å; F183-F519 AromaticContact CZ-CE1 3.7Å; F183-F519 HydrophobicContact CZ-CE1 3.7Å; F183-F519 AromaticContact CZ-CZ 3.96Å; F183-F519 HydrophobicContact CZ-CZ 3.96Å; M236-F519 HydrophobicContact CE-CZ 4.13Å; L515-F519 HydrophobicContact CB-CD2 4.33Å; L515-F519 HydrophobicContact CD2-CD2 3.97Å; L515-F519 HydrophobicContact CD2-CE2 3.88Å; L515-F519 PolarHBondContact O-N 3.45Å; F519-L521 HydrophobicContact CB-CD2 3.79Å; F519-L521 HydrophobicContact CB-CG 3.97Å; F519-L521 PolarHBondContact O-N 3.4Å
520	D	86.3	Confident	75.9	Confident	82 Å²	82	33.6 Å²	33.6	44%	0.439	17%	0.172	S	C	.	.			trans	52.8	41.7	-178.2	-174.1	45.2	0	0	0	110.8	K168 A171 V516 D522	K168-D520 HydrophobicContact CD-CB 4.02Å; K168-D520 WeakPolarHBondContact CD-O 3.49Å; K168-D520 WeakPolarHBondContact CD-OD2 3.3Å; K168-D520 WeakPolarHBondContact CE-O 3.27Å; K168-D520 PolarHBondContact NZ-O 2.83Å; K168-D520 IonicContact NZ-OD2 3.57Å; K168-D520 PolarHBondContact NZ-OD2 3.17Å; A171-D520 HydrophobicContact CB-CB 3.88Å; V516-D520 WeakPolarHBondContact O-CA 3.3Å; V516-D520 PolarHBondContact O-N 2.8Å; D520-D522 PolarHBondContact O-N 3.27Å
521	L	78.8	Confident	74.7	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.042	21%	0.208	C	C	.	.			trans	-66	128.4	-176.3	-62	-174.3	0	0	0	110.1	Y167 P384 I387 L515 F519	Y167-L521 HydrophobicContact CD1-CD2 4.11Å; P384-L521 HydrophobicContact CG-CB 4.41Å; P384-L521 HydrophobicContact CG-CD1 4.47Å; I387-L521 HydrophobicContact CD1-CD1 4.01Å; I387-L521 HydrophobicContact CG1-CD1 4.34Å; L515-L521 HydrophobicContact CB-CD1 3.58Å; L515-L521 HydrophobicContact CB-CG 4.42Å; L515-L521 HydrophobicContact CD1-CD1 4.23Å; F519-L521 HydrophobicContact CB-CD2 3.79Å; F519-L521 HydrophobicContact CB-CG 3.97Å; F519-L521 PolarHBondContact O-N 3.4Å
522	D	67.4	Low	73.6	Confident	72 Å²	72	50.4 Å²	50.4	39%	0.385	24%	0.237	S	C	.	.			trans	-73.7	131.6	171.1	-61.1	-42.9	0	0	0	108.6	K168 P384 D520 Y529	K168-D522 WeakPolarHBondContact CE-OD2 3.07Å; K168-D522 IonicContact NZ-OD1 3.64Å; K168-D522 PolarHBondContact NZ-OD1 3.41Å; K168-D522 IonicContact NZ-OD2 3.77Å; K168-D522 PolarHBondContact NZ-OD2 3Å; P384-D522 WeakPolarHBondContact CG-O 3.31Å; D520-D522 PolarHBondContact O-N 3.27Å; D522-Y529 PolarHBondContact OD1-OH 3.33Å; D522-Y529 VanDerWaalsContact OD1-OH 3.13Å
523	V	65.9	Low	73.1	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.03	26%	0.258	C	S	.	.			trans	-120.9	104.8	175.5	-106.9	0	0	0	0	106.9	I387 L499 V516 F525 A526	I387-V523 HydrophobicContact CD1-CG1 4.01Å; L499-V523 HydrophobicContact CD2-CG2 3.43Å; L499-V523 VanDerWaalsContact CD2-CG2 3.43Å; V516-V523 HydrophobicContact CG2-CG2 4.23Å; V523-F525 HydrophobicContact CB-CD1 4.17Å; V523-F525 HydrophobicContact CB-CE1 3.72Å; V523-F525 HydrophobicContact CB-CZ 4.04Å; V523-F525 HydrophobicContact CG1-CD1 4.25Å; V523-F525 HydrophobicContact CG1-CE1 3.47Å; V523-F525 VanDerWaalsContact CG1-CE1 3.47Å; V523-F525 HydrophobicContact CG1-CZ 3.95Å; V523-F525 PolarHBondContact O-N 3.45Å; V523-A526 WeakPolarHBondContact O-CB 3.26Å; V523-A526 PolarHBondContact O-N 2.99Å
524	D	61	Low	72.9	Confident	103 Å²	103	60.1 Å²	60.1	55%	0.551	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19	-165.9	-67.1	-19.6	0	0	0	113.6	G382 A526	G382-D524 VanDerWaalsContact CA-CG 3.46Å; G382-D524 WeakPolarHBondContact CA-OD2 3.16Å; G382-D524 PolarHBondContact O-N 3.47Å; D524-A526 PolarHBondContact O-N 3.41Å
525	F	60.4	Low	72.8	Confident	12 Å²	12	66.6 Å²	66.6	5%	0.053	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.1	174.3	68	-97.3	0	0	0	113.6	L367 M371 I383 F510 V523 T527	L367-F525 HydrophobicContact CD1-CE1 3.77Å; L367-F525 HydrophobicContact CD1-CE2 4.16Å; L367-F525 HydrophobicContact CD1-CZ 3.49Å; L367-F525 VanDerWaalsContact CD1-CZ 3.49Å; M371-F525 HydrophobicContact CE-CB 3.89Å; M371-F525 HydrophobicContact CE-CD1 3.63Å; M371-F525 HydrophobicContact CE-CE1 4.42Å; M371-F525 HydrophobicContact CE-CG 3.94Å; M371-F525 HydrophobicContact SD-CB 4.31Å; M371-F525 HydrophobicContact SD-CD1 3.47Å; M371-F525 WeakPolarHBondContact SD-CD1 3.4Å; M371-F525 HydrophobicContact SD-CD2 4.33Å; M371-F525 HydrophobicContact SD-CE1 3.75Å; M371-F525 HydrophobicContact SD-CG 3.78Å; M371-F525 HydrophobicContact SD-CZ 4.31Å; I383-F525 HydrophobicContact CD1-CD1 4.25Å; I383-F525 HydrophobicContact CD1-CE1 4.2Å; I383-F525 HydrophobicContact CG1-CD1 3.77Å; I383-F525 HydrophobicContact CG1-CE1 3.83Å; F510-F525 HydrophobicContact CE1-CZ 4.16Å; F510-F525 HydrophobicContact CE2-CZ 4.45Å; F510-F525 AromaticContact CZ-CZ 3.83Å; F510-F525 HydrophobicContact CZ-CZ 3.83Å; V523-F525 HydrophobicContact CB-CD1 4.17Å; V523-F525 HydrophobicContact CB-CE1 3.72Å; V523-F525 HydrophobicContact CB-CZ 4.04Å; V523-F525 HydrophobicContact CG1-CD1 4.25Å; V523-F525 HydrophobicContact CG1-CE1 3.47Å; V523-F525 VanDerWaalsContact CG1-CE1 3.47Å; V523-F525 HydrophobicContact CG1-CZ 3.95Å; V523-F525 PolarHBondContact O-N 3.45Å; F525-T527 VanDerWaalsContact C-N 3.26Å; F525-T527 VanDerWaalsContact O-CG2 3.31Å; F525-T527 WeakPolarHBondContact O-CG2 3.25Å; F525-T527 PolarHBondContact O-N 3.26Å
526	A	58	Low	72.7	Confident	16 Å²	16	69.2 Å²	69.2	13%	0.132	32%	0.324	C	S	.	.			trans	-63.1	90	172	0	0	0	0	0	108.9	L499 V523 D524 H528	L499-A526 HydrophobicContact CD2-CB 4.18Å; V523-A526 WeakPolarHBondContact O-CB 3.26Å; V523-A526 PolarHBondContact O-N 2.99Å; D524-A526 PolarHBondContact O-N 3.41Å; A526-H528 PolarHBondContact O-N 3.42Å; A526-H528 VanDerWaalsContact O-N 3.13Å
527	T	52.5	Low	72.9	Confident	57 Å²	57	69.3 Å²	69.3	35%	0.35	32%	0.323	S	S	.	.			trans	-66.3	-19.5	-168.2	55.2	0	0	0	0	113.6	F525	F525-T527 VanDerWaalsContact C-N 3.26Å; F525-T527 VanDerWaalsContact O-CG2 3.31Å; F525-T527 WeakPolarHBondContact O-CG2 3.25Å; F525-T527 PolarHBondContact O-N 3.26Å
528	H	52.9	Low	72.8	Confident	132 Å²	132	75.4 Å²	75.4	61%	0.611	35%	0.346	S	S	*	.			trans	-151	115.9	179.4	-64.7	81	0	0	0	108.2	A526 S530	A526-H528 PolarHBondContact O-N 3.42Å; A526-H528 VanDerWaalsContact O-N 3.13Å; H528-S530 PolarHBondContact O-N 2.97Å
529	Y	52.6	Low	72.8	Confident	143 Å²	143	80.7 Å²	80.7	56%	0.561	37%	0.366	S	S	*	.			trans	-65.7	76.1	158.5	-78.6	-86.4	0	0	0	107.7	D522 Y531	D522-Y529 PolarHBondContact OD1-OH 3.33Å; D522-Y529 VanDerWaalsContact OD1-OH 3.13Å; Y529-Y531 PolarHBondContact O-N 3.27Å; Y529-Y531 VanDerWaalsContact O-N 3.08Å
530	S	52.6	Low	73	Confident	39 Å²	39	80.7 Å²	80.7	27%	0.273	37%	0.366	S	S	.	.			trans	-66	106.7	165.7	177.2	0	0	0	0	105.5	H528 R532	H528-S530 PolarHBondContact O-N 2.97Å; S530-R532 PolarHBondContact O-N 3.4Å; S530-R532 VanDerWaalsContact OG-CB 3.3Å; S530-R532 WeakPolarHBondContact OG-CB 3.04Å; S530-R532 VanDerWaalsContact OG-CG 3.28Å; S530-R532 WeakPolarHBondContact OG-CG 3.16Å; S530-R532 PolarHBondContact OG-N 3.22Å
531	Y	61.1	Low	73.4	Confident	188 Å²	188	77.9 Å²	77.9	74%	0.737	35%	0.352	S	S	*	.			trans	-67.8	16.6	168.3	-69.2	-82.1	0	0	0	112	Y529 W534	Y529-Y531 PolarHBondContact O-N 3.27Å; Y529-Y531 VanDerWaalsContact O-N 3.08Å; Y531-W534 VanDerWaalsContact O-CD1 3.3Å
532	R	66.8	Low	74.2	Confident	165 Å²	165	81.3 Å²	81.3	62%	0.623	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	136.3	170.3	-68	-177.9	175.2	176.7	1.2	108	S530 W534	S530-R532 PolarHBondContact O-N 3.4Å; S530-R532 VanDerWaalsContact OG-CB 3.3Å; S530-R532 WeakPolarHBondContact OG-CB 3.04Å; S530-R532 VanDerWaalsContact OG-CG 3.28Å; S530-R532 WeakPolarHBondContact OG-CG 3.16Å; S530-R532 PolarHBondContact OG-N 3.22Å; R532-W534 PolarHBondContact O-N 3.14Å
533	N	77.4	Confident	75.6	Confident	80 Å²	80	78.6 Å²	78.6	43%	0.428	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	17.4	172	-59.2	-27.9	0	0	0	116.2	D497 Q535 I536 D537	D497-N533 PolarHBondContact OD2-ND2 3.46Å; N533-Q535 PolarHBondContact O-N 2.82Å; N533-I536 HydrophobicContact CB-CB 4.46Å; N533-I536 HydrophobicContact CB-CD1 4.03Å; N533-I536 HydrophobicContact CB-CG1 4.35Å; N533-I536 WeakPolarHBondContact O-CA 3.44Å; N533-I536 VanDerWaalsContact O-CB 3.32Å; N533-I536 WeakPolarHBondContact O-CB 3.34Å; N533-I536 PolarHBondContact O-N 3.24Å; N533-D537 PolarHBondContact O-N 3.39Å
534	W	84.4	Confident	77.1	Confident	124 Å²	124	78.3 Å²	78.3	47%	0.47	35%	0.351	S	S	.	.	H	α-helix	trans	-55	-26	176.5	73.5	-93.9	0	0	0	113.3	Y531 R532 D537 R538	Y531-W534 VanDerWaalsContact O-CD1 3.3Å; R532-W534 PolarHBondContact O-N 3.14Å; W534-D537 PolarHBondContact O-N 3.04Å; W534-R538 HydrophobicContact CE3-CB 4.4Å; W534-R538 WeakPolarHBondContact O-CB 3.39Å; W534-R538 PolarHBondContact O-N 3.13Å
535	Q	90.2	Very high	78.9	Confident	136 Å²	136	73.4 Å²	73.4	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-66.8	-35.9	175.2	-63.7	179.1	-48.1	0	0	112.2	N533 R539	N533-Q535 PolarHBondContact O-N 2.82Å; Q535-R539 WeakPolarHBondContact O-CB 3.45Å; Q535-R539 PolarHBondContact O-N 3.37Å
536	I	91.4	Very high	80.6	Confident	56 Å²	56	75.6 Å²	75.6	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-67.4	-47.9	174.4	-61.8	-179	0	0	0	108.7	N533 R538 R539 V540 D582	N533-I536 HydrophobicContact CB-CB 4.46Å; N533-I536 HydrophobicContact CB-CD1 4.03Å; N533-I536 HydrophobicContact CB-CG1 4.35Å; N533-I536 WeakPolarHBondContact O-CA 3.44Å; N533-I536 VanDerWaalsContact O-CB 3.32Å; N533-I536 WeakPolarHBondContact O-CB 3.34Å; N533-I536 PolarHBondContact O-N 3.24Å; I536-R538 VanDerWaalsContact C-N 3.34Å; I536-R538 PolarHBondContact O-N 3.18Å; I536-R539 WeakPolarHBondContact O-CB 3.37Å; I536-R539 PolarHBondContact O-N 2.96Å; I536-R539 VanDerWaalsContact O-N 3.12Å; I536-V540 WeakPolarHBondContact O-CG2 3.22Å; I536-V540 PolarHBondContact O-N 3.35Å; I536-D582 HydrophobicContact CG2-CB 3.75Å
537	D	90.9	Very high	82.5	Confident	23 Å²	23	74.9 Å²	74.9	12%	0.123	33%	0.329	C	S	.	.	H	α-helix	trans	-57.5	-47.3	177.8	-69	-23.3	0	0	0	111.9	H494 S496 F517 N533 W534 R539 V540 T541	H494-D537 IonicContact CD2-OD1 3.94Å; H494-D537 IonicContact CE1-OD1 3.91Å; H494-D537 IonicContact NE2-OD1 3.87Å; H494-D537 PolarHBondContact NE2-OD1 3.02Å; S496-D537 WeakPolarHBondContact CA-OD1 3.22Å; S496-D537 VanDerWaalsContact CB-OD2 3.25Å; S496-D537 WeakPolarHBondContact CB-OD2 3.3Å; S496-D537 PolarHBondContact OG-OD2 2.7Å; F517-D537 HydrophobicContact CE1-CB 3.74Å; N533-D537 PolarHBondContact O-N 3.39Å; W534-D537 PolarHBondContact O-N 3.04Å; D537-R539 VanDerWaalsContact C-N 3.34Å; D537-R539 PolarHBondContact O-N 2.49Å; D537-V540 WeakPolarHBondContact O-CB 3.29Å; D537-V540 PolarHBondContact O-N 2.57Å; D537-T541 PolarHBondContact O-N 3.06Å; D537-T541 PolarHBondContact O-OG1 2.86Å
538	R	91.6	Very high	84.6	Confident	143 Å²	143	72.2 Å²	72.2	54%	0.54	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-43.7	175.6	178.6	175.3	173.9	161.2	4	112	W534 I536 V540 T541 E542	W534-R538 HydrophobicContact CE3-CB 4.4Å; W534-R538 WeakPolarHBondContact O-CB 3.39Å; W534-R538 PolarHBondContact O-N 3.13Å; I536-R538 VanDerWaalsContact C-N 3.34Å; I536-R538 PolarHBondContact O-N 3.18Å; R538-V540 VanDerWaalsContact C-N 3.32Å; R538-V540 PolarHBondContact O-N 3.08Å; R538-T541 WeakPolarHBondContact O-CB 3.46Å; R538-T541 PolarHBondContact O-N 3.18Å; R538-E542 HydrophobicContact CG-CG 4.47Å; R538-E542 WeakPolarHBondContact CG-OE1 3.42Å; R538-E542 IonicContact CZ-OE1 2.98Å; R538-E542 IonicContact NE-OE1 2.75Å; R538-E542 PolarHBondContact NE-OE1 3.18Å; R538-E542 IonicContact NH2-OE1 3.13Å; R538-E542 WeakPolarHBondContact O-CG 3.22Å; R538-E542 PolarHBondContact O-N 3.48Å
539	R	94.5	Very high	86.8	Confident	111 Å²	111	65.9 Å²	65.9	42%	0.419	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-40.5	177.8	-177.8	174.2	179.8	-163.3	-2.9	111.5	Q535 I536 D537 E542 I543 D582 H583	Q535-R539 WeakPolarHBondContact O-CB 3.45Å; Q535-R539 PolarHBondContact O-N 3.37Å; I536-R539 WeakPolarHBondContact O-CB 3.37Å; I536-R539 PolarHBondContact O-N 2.96Å; I536-R539 VanDerWaalsContact O-N 3.12Å; D537-R539 VanDerWaalsContact C-N 3.34Å; D537-R539 PolarHBondContact O-N 2.49Å; R539-E542 PolarHBondContact O-N 2.98Å; R539-I543 HydrophobicContact CG-CD1 3.88Å; R539-I543 HydrophobicContact CG-CG1 4.46Å; R539-I543 WeakPolarHBondContact O-CB 3.48Å; R539-I543 VanDerWaalsContact O-CG1 3.25Å; R539-I543 WeakPolarHBondContact O-CG1 3.42Å; R539-I543 PolarHBondContact O-N 3.34Å; R539-D582 HydrophobicContact CG-CB 4.5Å; R539-D582 VanDerWaalsContact CZ-O 3.24Å; R539-D582 PolarHBondContact NE-O 3.46Å; R539-D582 PolarHBondContact NH2-O 3.17Å; R539-H583 PolarHBondContact NH1-CE1 3.37Å; R539-H583 PolarHBondContact NH1-NE2 3.47Å; R539-H583 PolarHBondContact NH2-NE2 2.83Å
540	V	95.5	Very high	88.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-46.6	175	173.7	0	0	0	0	110.7	F492 H494 F517 I536 D537 R538 E542 I543 F544 D582	F492-V540 HydrophobicContact CE2-CG1 4.31Å; F492-V540 HydrophobicContact CZ-CG1 3.75Å; H494-V540 HydrophobicContact CB-CG1 4.06Å; H494-V540 HydrophobicContact CB-CG2 4.19Å; F517-V540 HydrophobicContact CD1-CB 4.39Å; F517-V540 HydrophobicContact CD1-CG1 4.2Å; F517-V540 HydrophobicContact CE1-CB 4.47Å; F517-V540 HydrophobicContact CE1-CG1 4.44Å; I536-V540 WeakPolarHBondContact O-CG2 3.22Å; I536-V540 PolarHBondContact O-N 3.35Å; D537-V540 WeakPolarHBondContact O-CB 3.29Å; D537-V540 PolarHBondContact O-N 2.57Å; R538-V540 VanDerWaalsContact C-N 3.32Å; R538-V540 PolarHBondContact O-N 3.08Å; V540-E542 VanDerWaalsContact C-N 3.34Å; V540-E542 PolarHBondContact O-N 3.41Å; V540-I543 PolarHBondContact O-N 3.45Å; V540-F544 WeakPolarHBondContact O-CB 3.42Å; V540-F544 PolarHBondContact O-N 2.85Å; V540-D582 HydrophobicContact CG2-CB 3.81Å
541	T	95.8	Very high	91.1	Very high	22 Å²	22	57.7 Å²	57.7	14%	0.135	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-46.8	174.3	-67.9	0	0	0	0	111.7	N175 F517 D537 R538 F544 S545	N175-T541 WeakPolarHBondContact OD1-CG2 3.46Å; F517-T541 WeakPolarHBondContact CD1-OG1 3.47Å; F517-T541 WeakPolarHBondContact O-CG2 3.41Å; F517-T541 PolarHBondContact O-OG1 3.1Å; D537-T541 PolarHBondContact O-N 3.06Å; D537-T541 PolarHBondContact O-OG1 2.86Å; R538-T541 WeakPolarHBondContact O-CB 3.46Å; R538-T541 PolarHBondContact O-N 3.18Å; T541-F544 PolarHBondContact O-N 2.8Å; T541-S545 WeakPolarHBondContact O-CB 3.38Å; T541-S545 PolarHBondContact O-N 2.91Å; T541-S545 PolarHBondContact O-OG 2.86Å
542	E	95.6	Very high	92.8	Very high	80 Å²	80	48.8 Å²	48.8	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-48.6	-179.9	-74.4	170.7	-176.7	0	0	111.3	R179 R538 R539 V540 E546	R179-E542 PolarHBondContact NH2-O 2.98Å; R538-E542 HydrophobicContact CG-CG 4.47Å; R538-E542 WeakPolarHBondContact CG-OE1 3.42Å; R538-E542 IonicContact CZ-OE1 2.98Å; R538-E542 IonicContact NE-OE1 2.75Å; R538-E542 PolarHBondContact NE-OE1 3.18Å; R538-E542 IonicContact NH2-OE1 3.13Å; R538-E542 WeakPolarHBondContact O-CG 3.22Å; R538-E542 PolarHBondContact O-N 3.48Å; R539-E542 PolarHBondContact O-N 2.98Å; V540-E542 VanDerWaalsContact C-N 3.34Å; V540-E542 PolarHBondContact O-N 3.41Å; E542-E546 WeakPolarHBondContact O-CB 3.39Å; E542-E546 PolarHBondContact O-N 2.86Å
543	I	96.7	Very high	94.2	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.077	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-51.6	177.2	-72.5	170.4	0	0	0	110.8	R539 V540 E546 L547 L564 D582 P584	R539-I543 HydrophobicContact CG-CD1 3.88Å; R539-I543 HydrophobicContact CG-CG1 4.46Å; R539-I543 WeakPolarHBondContact O-CB 3.48Å; R539-I543 VanDerWaalsContact O-CG1 3.25Å; R539-I543 WeakPolarHBondContact O-CG1 3.42Å; R539-I543 PolarHBondContact O-N 3.34Å; V540-I543 PolarHBondContact O-N 3.45Å; I543-E546 WeakPolarHBondContact O-CB 3.33Å; I543-E546 PolarHBondContact O-N 3.44Å; I543-L547 HydrophobicContact CG2-CD1 4.12Å; I543-L547 WeakPolarHBondContact O-CG 3.48Å; I543-L547 PolarHBondContact O-N 3.06Å; I543-L564 HydrophobicContact CG1-CD2 4.2Å; I543-L564 HydrophobicContact CG2-CD2 4.41Å; I543-D582 WeakPolarHBondContact CD1-O 3.43Å; I543-P584 HydrophobicContact CD1-CG 4.3Å; I543-P584 HydrophobicContact CG2-CG 3.49Å; I543-P584 VanDerWaalsContact CG2-CG 3.49Å
544	F	97.6	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-44	-173.5	-171.2	-135	0	0	0	111.3	L264 Y490 F492 D514 L518 V540 T541 E546 L547 L548 I580	L264-F544 HydrophobicContact CD2-CZ 4.1Å; Y490-F544 HydrophobicContact CD2-CE2 4.48Å; Y490-F544 HydrophobicContact CE2-CE2 4.31Å; Y490-F544 HydrophobicContact CE2-CZ 4.13Å; F492-F544 HydrophobicContact CD2-CD1 4.33Å; F492-F544 HydrophobicContact CD2-CE1 4.22Å; F492-F544 HydrophobicContact CD2-CZ 4.37Å; F492-F544 HydrophobicContact CE2-CB 4.49Å; F492-F544 AromaticContact CE2-CD1 3.74Å; F492-F544 HydrophobicContact CE2-CD1 3.74Å; F492-F544 HydrophobicContact CE2-CE1 4.03Å; F492-F544 HydrophobicContact CE2-CG 4.03Å; D514-F544 HydrophobicContact CB-CE1 3.89Å; D514-F544 HydrophobicContact CB-CZ 4.46Å; L518-F544 HydrophobicContact CD1-CD1 4.12Å; L518-F544 HydrophobicContact CD1-CE1 3.64Å; L518-F544 HydrophobicContact CD2-CD1 3.56Å; L518-F544 HydrophobicContact CD2-CE1 3.96Å; L518-F544 HydrophobicContact CD2-CG 4.44Å; L518-F544 HydrophobicContact CG-CD1 3.76Å; L518-F544 HydrophobicContact CG-CE1 3.79Å; V540-F544 WeakPolarHBondContact O-CB 3.42Å; V540-F544 PolarHBondContact O-N 2.85Å; T541-F544 PolarHBondContact O-N 2.8Å; F544-E546 VanDerWaalsContact C-N 3.26Å; F544-E546 PolarHBondContact O-N 3.49Å; F544-L547 PolarHBondContact O-N 3.06Å; F544-L548 HydrophobicContact CD1-CD1 4.34Å; F544-L548 HydrophobicContact CD2-CG 4.42Å; F544-L548 HydrophobicContact CE1-CD1 4.01Å; F544-L548 HydrophobicContact CE2-CD1 4.37Å; F544-L548 HydrophobicContact CE2-CD2 4.01Å; F544-L548 HydrophobicContact CE2-CG 4.2Å; F544-L548 HydrophobicContact CZ-CD1 4.02Å; F544-L548 HydrophobicContact CZ-CD2 4.2Å; F544-L548 HydrophobicContact CZ-CG 4.34Å; F544-L548 WeakPolarHBondContact O-CG 3.43Å; F544-L548 PolarHBondContact O-N 3.47Å; F544-L548 VanDerWaalsContact O-N 3.08Å; F544-I580 HydrophobicContact CB-CG2 4.24Å; F544-I580 HydrophobicContact CD2-CD1 4.43Å; F544-I580 HydrophobicContact CD2-CG1 4.31Å; F544-I580 HydrophobicContact CD2-CG2 4.05Å; F544-I580 HydrophobicContact CE2-CG1 4.42Å; F544-I580 HydrophobicContact CG-CG2 4.29Å
545	S	97.6	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-36.9	174.9	-53.2	0	0	0	0	111.9	N175 T541 T549	N175-S545 WeakPolarHBondContact CB-OG 3.48Å; N175-S545 WeakPolarHBondContact O-CB 3.46Å; T541-S545 WeakPolarHBondContact O-CB 3.38Å; T541-S545 PolarHBondContact O-N 2.91Å; T541-S545 PolarHBondContact O-OG 2.86Å; S545-T549 WeakPolarHBondContact O-CB 3.36Å; S545-T549 VanDerWaalsContact O-CG2 3.27Å; S545-T549 WeakPolarHBondContact O-CG2 3.38Å; S545-T549 PolarHBondContact O-N 2.96Å; S545-T549 PolarHBondContact O-OG1 2.98Å
546	E	96.8	Very high	95.8	Very high	57 Å²	57	34.9 Å²	34.9	27%	0.266	16%	0.163	S	C	.	.	H	α-helix	trans	-64.5	-45.6	175.1	-167.9	162.8	145.7	0	0	112.9	R179 E542 I543 F544 L548 T549 N550 L564	R179-E546 IonicContact CZ-OE2 3.75Å; R179-E546 VanDerWaalsContact NH1-CB 3.29Å; R179-E546 IonicContact NH1-OE2 3.31Å; R179-E546 PolarHBondContact NH1-OE2 3.11Å; R179-E546 IonicContact NH2-OE2 2.71Å; E542-E546 WeakPolarHBondContact O-CB 3.39Å; E542-E546 PolarHBondContact O-N 2.86Å; I543-E546 WeakPolarHBondContact O-CB 3.33Å; I543-E546 PolarHBondContact O-N 3.44Å; F544-E546 VanDerWaalsContact C-N 3.26Å; F544-E546 PolarHBondContact O-N 3.49Å; E546-L548 VanDerWaalsContact C-N 3.33Å; E546-L548 PolarHBondContact O-N 2.96Å; E546-T549 WeakPolarHBondContact CA-OG1 3.4Å; E546-T549 PolarHBondContact O-N 3.27Å; E546-T549 PolarHBondContact O-OG1 3.11Å; E546-N550 VanDerWaalsContact O-CB 3.26Å; E546-N550 WeakPolarHBondContact O-CB 3.3Å; E546-N550 PolarHBondContact O-N 3.33Å; E546-N550 PolarHBondContact O-ND2 2.77Å; E546-L564 HydrophobicContact CB-CD1 4.02Å; E546-L564 HydrophobicContact CG-CD1 3.81Å
547	L	97.6	Very high	96.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-45.6	177.4	-67.6	172.3	0	0	0	111.4	I543 F544 F551 P557 T558 L564 W567 L578 I580	I543-L547 HydrophobicContact CG2-CD1 4.12Å; I543-L547 WeakPolarHBondContact O-CG 3.48Å; I543-L547 PolarHBondContact O-N 3.06Å; F544-L547 PolarHBondContact O-N 3.06Å; L547-F551 WeakPolarHBondContact O-CB 3.46Å; L547-F551 PolarHBondContact O-N 3.03Å; L547-P557 HydrophobicContact CB-CB 4.32Å; L547-P557 HydrophobicContact CD2-CB 4.12Å; L547-P557 WeakPolarHBondContact O-CA 3.5Å; L547-T558 HydrophobicContact CD2-CG2 3.47Å; L547-T558 VanDerWaalsContact CD2-CG2 3.47Å; L547-L564 HydrophobicContact CD2-CD1 3.64Å; L547-L564 HydrophobicContact CG-CD1 4.05Å; L547-W567 HydrophobicContact CB-CZ3 4.21Å; L547-W567 HydrophobicContact CD1-CE3 4.2Å; L547-W567 HydrophobicContact CD1-CZ3 4.06Å; L547-W567 HydrophobicContact CD2-CE3 4.12Å; L547-L578 HydrophobicContact CD1-CD2 3.82Å; L547-I580 HydrophobicContact CD1-CD1 3.66Å
548	L	98.2	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-43.9	179.7	-61.5	-177.1	0	0	0	112	M236 I262 L357 L518 F544 E546 F551 A552	M236-L548 HydrophobicContact SD-CD1 4.12Å; I262-L548 HydrophobicContact CD1-CB 4.29Å; I262-L548 HydrophobicContact CD1-CD2 4.26Å; I262-L548 HydrophobicContact CG2-CD2 3.89Å; L357-L548 HydrophobicContact CD1-CD2 3.95Å; L357-L548 HydrophobicContact CD2-CD2 4.23Å; L518-L548 HydrophobicContact CD1-CD1 3.77Å; L518-L548 HydrophobicContact CD2-CD1 3.82Å; L518-L548 HydrophobicContact CG-CD1 4.44Å; F544-L548 HydrophobicContact CD1-CD1 4.34Å; F544-L548 HydrophobicContact CD2-CG 4.42Å; F544-L548 HydrophobicContact CE1-CD1 4.01Å; F544-L548 HydrophobicContact CE2-CD1 4.37Å; F544-L548 HydrophobicContact CE2-CD2 4.01Å; F544-L548 HydrophobicContact CE2-CG 4.2Å; F544-L548 HydrophobicContact CZ-CD1 4.02Å; F544-L548 HydrophobicContact CZ-CD2 4.2Å; F544-L548 HydrophobicContact CZ-CG 4.34Å; F544-L548 WeakPolarHBondContact O-CG 3.43Å; F544-L548 PolarHBondContact O-N 3.47Å; F544-L548 VanDerWaalsContact O-N 3.08Å; E546-L548 VanDerWaalsContact C-N 3.33Å; E546-L548 PolarHBondContact O-N 2.96Å; L548-F551 PolarHBondContact O-N 3.27Å; L548-A552 PolarHBondContact O-N 3.41Å
549	T	97.9	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.3	-34.4	-180	54.7	0	0	0	0	112.7	I151 F176 R179 I181 S545 E546 A552 R553	I151-T549 HydrophobicContact CD1-CG2 4.34Å; F176-T549 HydrophobicContact CD1-CG2 3.86Å; R179-T549 HydrophobicContact CB-CG2 4.15Å; R179-T549 WeakPolarHBondContact CD-OG1 3.34Å; I181-T549 HydrophobicContact CG1-CG2 3.72Å; S545-T549 WeakPolarHBondContact O-CB 3.36Å; S545-T549 VanDerWaalsContact O-CG2 3.27Å; S545-T549 WeakPolarHBondContact O-CG2 3.38Å; S545-T549 PolarHBondContact O-N 2.96Å; S545-T549 PolarHBondContact O-OG1 2.98Å; E546-T549 WeakPolarHBondContact CA-OG1 3.4Å; E546-T549 PolarHBondContact O-N 3.27Å; E546-T549 PolarHBondContact O-OG1 3.11Å; T549-A552 PolarHBondContact O-N 2.96Å; T549-R553 WeakPolarHBondContact O-CB 3.49Å; T549-R553 PolarHBondContact O-N 3.49Å
550	N	97.3	Very high	95.4	Very high	10 Å²	10	25 Å²	25	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-44.5	170.3	-76.4	-17.1	0	0	0	111.5	E546 A552 R553 V554 N556 P557	E546-N550 VanDerWaalsContact O-CB 3.26Å; E546-N550 WeakPolarHBondContact O-CB 3.3Å; E546-N550 PolarHBondContact O-N 3.33Å; E546-N550 PolarHBondContact O-ND2 2.77Å; N550-A552 VanDerWaalsContact C-N 3.35Å; N550-A552 PolarHBondContact O-N 3.08Å; N550-R553 PolarHBondContact O-N 2.73Å; N550-R553 PolarHBondContact OD1-NH1 3.31Å; N550-V554 WeakPolarHBondContact O-CG2 3.38Å; N550-V554 PolarHBondContact O-N 3.46Å; N550-N556 CarbonylContact C-O 3.59Å; N550-P557 WeakPolarHBondContact CB-O 3.32Å; N550-P557 PolarHBondContact ND2-O 2.99Å; N550-P557 VanDerWaalsContact ND2-O 3.16Å
551	F	97.9	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-44.8	174.5	-177.9	-102.6	0	0	0	111.7	T234 R260 V261 I262 P355 L357 Y488 L547 L548 R553 G555 P557	T234-F551 HydrophobicContact CG2-CD1 4.48Å; R260-F551 HydrophobicContact CB-CE1 3.85Å; R260-F551 HydrophobicContact CB-CZ 4.24Å; R260-F551 WeakPolarHBondContact CD-O 3.48Å; R260-F551 PolarHBondContact NE-O 3.26Å; V261-F551 WeakPolarHBondContact O-CE1 3.38Å; I262-F551 HydrophobicContact CD1-CD1 3.92Å; I262-F551 HydrophobicContact CG1-CD1 3.57Å; I262-F551 HydrophobicContact CG1-CE1 3.8Å; P355-F551 HydrophobicContact CB-CE2 4.14Å; P355-F551 HydrophobicContact CB-CZ 3.94Å; L357-F551 HydrophobicContact CB-CD1 4.09Å; L357-F551 HydrophobicContact CB-CD2 4.41Å; L357-F551 HydrophobicContact CB-CE1 3.9Å; L357-F551 HydrophobicContact CB-CE2 4.25Å; L357-F551 HydrophobicContact CB-CG 4.32Å; L357-F551 HydrophobicContact CB-CZ 3.98Å; L357-F551 HydrophobicContact CD1-CB 4.13Å; L357-F551 HydrophobicContact CD1-CD1 4.34Å; L357-F551 HydrophobicContact CD1-CD2 4.43Å; L357-F551 HydrophobicContact CD1-CG 4.05Å; Y488-F551 HydrophobicContact CD2-CD2 4.25Å; Y488-F551 AromaticContact CD2-CE2 3.92Å; Y488-F551 HydrophobicContact CD2-CE2 3.92Å; Y488-F551 HydrophobicContact CE2-CD2 4.48Å; Y488-F551 HydrophobicContact CE2-CE2 4.24Å; L547-F551 WeakPolarHBondContact O-CB 3.46Å; L547-F551 PolarHBondContact O-N 3.03Å; L548-F551 PolarHBondContact O-N 3.27Å; F551-R553 VanDerWaalsContact C-N 3.3Å; F551-R553 PolarHBondContact O-N 2.99Å; F551-G555 WeakPolarHBondContact O-CA 3.43Å; F551-G555 PolarHBondContact O-N 3.36Å; F551-P557 HydrophobicContact CB-CB 4.47Å; F551-P557 HydrophobicContact CB-CG 4.15Å; F551-P557 HydrophobicContact CD2-CG 4.01Å; F551-P557 HydrophobicContact CG-CG 4.46Å
552	A	97.8	Very high	93.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-37.9	175.8	0	0	0	0	0	112.7	I151 I181 T234 R260 L548 T549 N550	I151-A552 HydrophobicContact CD1-CB 3.84Å; I151-A552 HydrophobicContact CG1-CB 3.68Å; I181-A552 HydrophobicContact CD1-CB 4.4Å; T234-A552 HydrophobicContact CG2-CB 4.33Å; T234-A552 WeakPolarHBondContact OG1-CA 3.14Å; R260-A552 PolarHBondContact NH1-O 3.3Å; L548-A552 PolarHBondContact O-N 3.41Å; T549-A552 PolarHBondContact O-N 2.96Å; N550-A552 VanDerWaalsContact C-N 3.35Å; N550-A552 PolarHBondContact O-N 3.08Å
553	R	95.5	Very high	92.9	Very high	73 Å²	73	37.1 Å²	37.1	28%	0.275	22%	0.215	S	C	.	.	H	α-helix	trans	-70.5	-49.8	-178.2	-165.5	-177.2	-62.1	115.4	3.6	112.9	P149 R179 T549 N550 F551	P149-R553 HydrophobicContact CG-CB 3.98Å; P149-R553 HydrophobicContact CG-CG 3.88Å; R179-R553 PolarHBondContact O-NH2 3.4Å; T549-R553 WeakPolarHBondContact O-CB 3.49Å; T549-R553 PolarHBondContact O-N 3.49Å; N550-R553 PolarHBondContact O-N 2.73Å; N550-R553 PolarHBondContact OD1-NH1 3.31Å; F551-R553 VanDerWaalsContact C-N 3.3Å; F551-R553 PolarHBondContact O-N 2.99Å
554	V	95	Very high	92.6	Very high	79 Å²	79	37.9 Å²	37.9	48%	0.479	22%	0.219	S	C	.	.	H	α-helix	trans	-130.5	-3.5	-168.1	-59.8	0	0	0	0	115	N550 N556 P559	N550-V554 WeakPolarHBondContact O-CG2 3.38Å; N550-V554 PolarHBondContact O-N 3.46Å; V554-N556 VanDerWaalsContact C-N 3.28Å; V554-N556 HydrophobicContact CG2-CB 4.3Å; V554-N556 PolarHBondContact O-N 3.01Å; V554-P559 HydrophobicContact CG2-CB 4.31Å
555	G	95.7	Very high	92.2	Very high	11 Å²	11	40.9 Å²	40.9	11%	0.113	24%	0.238	C	C	.	.	S	Bend	trans	77.2	11.7	-177.9	0	0	0	0	0	114.8	R260 F551	R260-G555 VanDerWaalsContact NE-N 3.18Å; F551-G555 WeakPolarHBondContact O-CA 3.43Å; F551-G555 PolarHBondContact O-N 3.36Å
556	N	96	Very high	92	Very high	51 Å²	51	45.4 Å²	45.4	27%	0.273	26%	0.257	S	S	.	.			trans	-132.1	120.2	172.7	-177.6	-7.6	0	0	0	108	Y488 N550 V554 T558	Y488-N556 PolarHBondContact OH-OD1 3.44Å; N550-N556 CarbonylContact C-O 3.59Å; V554-N556 VanDerWaalsContact C-N 3.28Å; V554-N556 HydrophobicContact CG2-CB 4.3Å; V554-N556 PolarHBondContact O-N 3.01Å; N556-T558 PolarHBondContact ND2-O 3.33Å; N556-T558 PolarHBondContact O-N 3.01Å; N556-T558 PolarHBondContact OD1-N 3.25Å; N556-T558 PolarHBondContact OD1-O 3.25Å
557	P	96.9	Very high	92	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-63.1	-24.5	-179.5	-20.3	32.7	0	0	0	113.5	L357 Y488 L547 N550 F551 W567	L357-P557 HydrophobicContact CD1-CG 4.03Å; Y488-P557 HydrophobicContact CD1-CG 3.84Å; Y488-P557 HydrophobicContact CD2-CG 4.19Å; Y488-P557 VanDerWaalsContact CE1-CD 3.48Å; Y488-P557 HydrophobicContact CE1-CG 4.17Å; Y488-P557 HydrophobicContact CG-CG 3.85Å; L547-P557 HydrophobicContact CB-CB 4.32Å; L547-P557 HydrophobicContact CD2-CB 4.12Å; L547-P557 WeakPolarHBondContact O-CA 3.5Å; N550-P557 WeakPolarHBondContact CB-O 3.32Å; N550-P557 PolarHBondContact ND2-O 2.99Å; N550-P557 VanDerWaalsContact ND2-O 3.16Å; F551-P557 HydrophobicContact CB-CB 4.47Å; F551-P557 HydrophobicContact CB-CG 4.15Å; F551-P557 HydrophobicContact CD2-CG 4.01Å; F551-P557 HydrophobicContact CG-CG 4.46Å; P557-W567 HydrophobicContact CB-CD2 4.19Å; P557-W567 HydrophobicContact CB-CE3 3.43Å; P557-W567 VanDerWaalsContact CB-CE3 3.43Å; P557-W567 HydrophobicContact CB-CZ3 3.87Å; P557-W567 HydrophobicContact CG-CD2 4.1Å; P557-W567 HydrophobicContact CG-CE3 3.71Å; P557-W567 HydrophobicContact CG-CZ3 4.04Å
558	T	95.4	Very high	91.9	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.043	28%	0.276	C	S	.	.	S	Bend	trans	-131.3	79.1	-179.1	60.2	0	0	0	0	109.7	L547 N556 L564 T565 W567	L547-T558 HydrophobicContact CD2-CG2 3.47Å; L547-T558 VanDerWaalsContact CD2-CG2 3.47Å; N556-T558 PolarHBondContact ND2-O 3.33Å; N556-T558 PolarHBondContact O-N 3.01Å; N556-T558 PolarHBondContact OD1-N 3.25Å; N556-T558 PolarHBondContact OD1-O 3.25Å; T558-L564 HydrophobicContact CG2-CB 4.2Å; T558-T565 WeakPolarHBondContact CG2-O 3.42Å; T558-W567 HydrophobicContact CG2-CB 3.86Å; T558-W567 PolarHBondContact OG1-N 2.84Å
559	P	88.3	Confident	91.8	Very high	34 Å²	34	56.9 Å²	56.9	22%	0.221	30%	0.302	C	S	.	.			trans	-58.6	163.2	174.9	25.1	-32.6	0	0	0	111.5	V554 D561 G562 K566	V554-P559 HydrophobicContact CG2-CB 4.31Å; P559-D561 PolarHBondContact O-N 3.24Å; P559-D561 VanDerWaalsContact O-N 3.17Å; P559-G562 PolarHBondContact O-N 2.8Å; P559-K566 PolarHBondContact O-NZ 3.23Å
560	A	77.5	Confident	91.8	Very high	84 Å²	84	57.1 Å²	57.1	69%	0.694	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.2	-170.9	0	0	0	0	0	112.9	G562 K566	A560-G562 PolarHBondContact O-N 2.97Å; A560-K566 PolarHBondContact O-NZ 3.04Å
561	D	75.1	Confident	91.7	Very high	162 Å²	162	59.8 Å²	59.8	87%	0.866	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.7	-172	-49.6	-36.3	0	0	0	114.5	P559	P559-D561 PolarHBondContact O-N 3.24Å; P559-D561 VanDerWaalsContact O-N 3.17Å
562	G	76.7	Confident	91.5	Very high	21 Å²	21	64.7 Å²	64.7	22%	0.216	34%	0.336	C	S	.	.			trans	-88.9	146.7	-179.4	0	0	0	0	0	114.2	P559 A560 L564 K566	P559-G562 PolarHBondContact O-N 2.8Å; A560-G562 PolarHBondContact O-N 2.97Å; G562-L564 VanDerWaalsContact C-N 3.3Å; G562-L564 PolarHBondContact O-N 2.82Å; G562-K566 PolarHBondContact O-NZ 3.19Å
563	D	83.1	Confident	91.3	Very high	173 Å²	173	70.4 Å²	70.4	93%	0.925	37%	0.371	S	S	*	.			trans	-78.2	-9.2	179.2	-67.4	-32.3	0	0	0	114.2
564	L	90.6	Very high	91.2	Very high	32 Å²	32	71.5 Å²	71.5	17%	0.168	38%	0.382	C	S	.	.	S	Bend	trans	-69.1	149.1	179.4	-62.1	179	0	0	0	112.3	I543 E546 L547 T558 G562 K566	I543-L564 HydrophobicContact CG1-CD2 4.2Å; I543-L564 HydrophobicContact CG2-CD2 4.41Å; E546-L564 HydrophobicContact CB-CD1 4.02Å; E546-L564 HydrophobicContact CG-CD1 3.81Å; L547-L564 HydrophobicContact CD2-CD1 3.64Å; L547-L564 HydrophobicContact CG-CD1 4.05Å; T558-L564 HydrophobicContact CG2-CB 4.2Å; G562-L564 VanDerWaalsContact C-N 3.3Å; G562-L564 PolarHBondContact O-N 2.82Å; L564-K566 PolarHBondContact O-N 2.89Å; L564-K566 VanDerWaalsContact O-N 3.13Å
565	T	89.2	Confident	91.3	Very high	63 Å²	63	68.8 Å²	68.8	39%	0.387	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-48.7	119.1	172.2	-60.1	0	0	0	0	110.3	T558 W567 L578 P584	T558-T565 WeakPolarHBondContact CG2-O 3.42Å; T565-W567 PolarHBondContact O-N 3.12Å; T565-W567 VanDerWaalsContact O-N 3.1Å; T565-L578 HydrophobicContact CG2-CD1 4.24Å; T565-P584 WeakPolarHBondContact CB-O 3.48Å; T565-P584 WeakPolarHBondContact CG2-O 3.33Å; T565-P584 PolarHBondContact OG1-O 3.41Å
566	K	94.2	Very high	91.4	Very high	95 Å²	95	68.8 Å²	68.8	41%	0.413	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-59	117.2	-176.5	-61.3	-51.5	-170.2	-164	0	111.7	P559 A560 G562 L564 K568 M586	P559-K566 PolarHBondContact O-NZ 3.23Å; A560-K566 PolarHBondContact O-NZ 3.04Å; G562-K566 PolarHBondContact O-NZ 3.19Å; L564-K566 PolarHBondContact O-N 2.89Å; L564-K566 VanDerWaalsContact O-N 3.13Å; K566-K568 PolarHBondContact O-N 2.75Å; K566-M586 WeakPolarHBondContact O-CG 3.35Å
567	W	95.4	Very high	91.4	Very high	8 Å²	8	67.5 Å²	67.5	3%	0.03	35%	0.352	C	S	.	.			trans	-86.2	110.5	178.2	-166.9	-14.4	0	0	0	109.7	L357 Y488 L489 Y490 L547 P557 T558 T565 L578 M586	L357-W567 HydrophobicContact CD1-CH2 3.8Å; L357-W567 HydrophobicContact CD1-CZ3 4.02Å; L357-W567 HydrophobicContact CD2-CH2 4Å; L357-W567 HydrophobicContact CG-CH2 3.84Å; L357-W567 HydrophobicContact CG-CZ2 4.36Å; Y488-W567 HydrophobicContact CD1-CB 4.49Å; Y488-W567 AromaticContact CD1-CD1 3.79Å; Y488-W567 HydrophobicContact CD1-CD2 4.19Å; Y488-W567 AromaticContact CD1-CG 3.91Å; Y488-W567 HydrophobicContact CD1-CG 3.91Å; Y488-W567 AromaticContact CD1-NE1 3.96Å; Y488-W567 WeakPolarHBondContact CE1-O 3.44Å; L489-W567 VanDerWaalsContact O-CZ2 3.3Å; L489-W567 WeakPolarHBondContact O-CZ2 3.48Å; L489-W567 PolarHBondContact O-NE1 3.46Å; L489-W567 VanDerWaalsContact O-NE1 3.15Å; Y490-W567 HydrophobicContact CD1-CH2 4.13Å; Y490-W567 HydrophobicContact CG-CH2 4.23Å; L547-W567 HydrophobicContact CB-CZ3 4.21Å; L547-W567 HydrophobicContact CD1-CE3 4.2Å; L547-W567 HydrophobicContact CD1-CZ3 4.06Å; L547-W567 HydrophobicContact CD2-CE3 4.12Å; P557-W567 HydrophobicContact CB-CD2 4.19Å; P557-W567 HydrophobicContact CB-CE3 3.43Å; P557-W567 VanDerWaalsContact CB-CE3 3.43Å; P557-W567 HydrophobicContact CB-CZ3 3.87Å; P557-W567 HydrophobicContact CG-CD2 4.1Å; P557-W567 HydrophobicContact CG-CE3 3.71Å; P557-W567 HydrophobicContact CG-CZ3 4.04Å; T558-W567 HydrophobicContact CG2-CB 3.86Å; T558-W567 PolarHBondContact OG1-N 2.84Å; T565-W567 PolarHBondContact O-N 3.12Å; T565-W567 VanDerWaalsContact O-N 3.1Å; W567-L578 HydrophobicContact CB-CD2 4.21Å; W567-L578 HydrophobicContact CD2-CB 3.72Å; W567-L578 HydrophobicContact CD2-CD2 3.63Å; W567-L578 HydrophobicContact CD2-CG 4.28Å; W567-L578 HydrophobicContact CE3-CB 4.25Å; W567-L578 HydrophobicContact CE3-CD2 3.44Å; W567-L578 VanDerWaalsContact CE3-CD2 3.44Å; W567-L578 HydrophobicContact CE3-CG 4.48Å; W567-L578 HydrophobicContact CG-CB 3.94Å; W567-L578 HydrophobicContact CG-CD2 3.97Å; W567-L578 HydrophobicContact CG-CG 4.43Å; W567-L578 HydrophobicContact CZ2-CB 4.18Å; W567-L578 HydrophobicContact CZ3-CD2 4.06Å; W567-M586 HydrophobicContact CG-SD 4.43Å
568	K	95.8	Very high	91.5	Very high	145 Å²	145	67.5 Å²	67.5	63%	0.63	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-78.2	144.5	177.2	-61.6	179.5	-178.5	176.9	0	110.5	K566 N576 M586	K566-K568 PolarHBondContact O-N 2.75Å; K568-N576 PolarHBondContact O-ND2 2.98Å; K568-M586 HydrophobicContact CB-CE 4.07Å; K568-M586 HydrophobicContact CB-SD 4.46Å
569	R	97	Very high	91.6	Very high	146 Å²	146	67.4 Å²	67.4	55%	0.551	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-55.9	148.2	171.6	-67.5	-175.5	-175.5	-176.1	3.3	110.7	V487 Y488 N576	V487-R569 CarbonylContact O-C 3.44Å; V487-R569 WeakPolarHBondContact O-CA 3.41Å; Y488-R569 HydrophobicContact CE1-CG 3.94Å; Y488-R569 HydrophobicContact CE2-CG 4.27Å; R569-N576 PolarHBondContact O-ND2 2.99Å; R569-N576 PolarHBondContact O-OD1 3.13Å
570	F	97.6	Very high	92	Very high	5 Å²	5	65.8 Å²	65.8	2%	0.022	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-55.8	143.7	174.3	176	-104.7	0	0	0	110.6	A477 E478 D481 V487 L489 R572 F575	A477-F570 HydrophobicContact CB-CD1 4.05Å; A477-F570 HydrophobicContact CB-CD2 4.4Å; A477-F570 HydrophobicContact CB-CE1 3.87Å; A477-F570 HydrophobicContact CB-CE2 4.26Å; A477-F570 HydrophobicContact CB-CG 4.3Å; A477-F570 HydrophobicContact CB-CZ 3.99Å; E478-F570 HydrophobicContact CG-CE1 4.16Å; E478-F570 HydrophobicContact CG-CZ 4.07Å; D481-F570 HydrophobicContact CB-CD1 4.07Å; D481-F570 HydrophobicContact CB-CE1 4.36Å; V487-F570 HydrophobicContact CB-CB 3.9Å; V487-F570 HydrophobicContact CG1-CB 3.71Å; V487-F570 HydrophobicContact CG1-CD1 4.22Å; V487-F570 HydrophobicContact CG1-CG 4.14Å; V487-F570 PolarHBondContact O-N 2.9Å; L489-F570 HydrophobicContact CB-CD2 3.99Å; L489-F570 HydrophobicContact CD2-CD2 3.74Å; L489-F570 HydrophobicContact CD2-CE2 3.71Å; F570-R572 HydrophobicContact CD1-CG 4.43Å; F570-R572 HydrophobicContact CE1-CG 3.69Å; F570-R572 HydrophobicContact CZ-CG 4.44Å; F570-F575 HydrophobicContact CE2-CB 4.44Å; F570-F575 AromaticContact CE2-CD1 3.95Å; F570-F575 HydrophobicContact CE2-CD1 3.95Å; F570-F575 AromaticContact CZ-CD1 3.81Å; F570-F575 HydrophobicContact CZ-CD1 3.81Å; F570-F575 HydrophobicContact CZ-CE1 4.22Å
571	N	95.6	Very high	92.9	Very high	66 Å²	66	63.2 Å²	63.2	35%	0.353	32%	0.317	S	S	.	.			trans	-132.9	121.4	178.5	179	-73.7	0	0	0	107.9	T573 L574 F575 N576	N571-T573 PolarHBondContact O-N 3.41Å; N571-T573 VanDerWaalsContact O-N 3.12Å; N571-T573 WeakPolarHBondContact OD1-CA 3.2Å; N571-T573 WeakPolarHBondContact OD1-CB 3.5Å; N571-T573 PolarHBondContact OD1-N 3.12Å; N571-L574 HydrophobicContact CB-CB 4.34Å; N571-L574 PolarHBondContact O-N 3.45Å; N571-L574 PolarHBondContact OD1-N 2.97Å; N571-F575 WeakPolarHBondContact O-CA 3.38Å; N571-F575 PolarHBondContact O-N 3.35Å; N571-N576 WeakPolarHBondContact CB-OD1 3.16Å; N571-N576 PolarHBondContact N-OD1 3.45Å
572	R	92.6	Very high	93.7	Very high	103 Å²	103	57.1 Å²	57.1	39%	0.389	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.9	-177.9	-69.1	-175.2	-71.4	148.2	-4	115.1	E478 D481 F570 F575	E478-R572 HydrophobicContact CB-CG 4.4Å; E478-R572 HydrophobicContact CG-CG 4.1Å; D481-R572 HydrophobicContact CB-CG 3.99Å; D481-R572 VanDerWaalsContact OD2-CD 3.29Å; D481-R572 WeakPolarHBondContact OD2-CD 3.48Å; D481-R572 VanDerWaalsContact OD2-CG 3.26Å; D481-R572 WeakPolarHBondContact OD2-CG 3.16Å; D481-R572 IonicContact OD2-CZ 2.92Å; D481-R572 IonicContact OD2-NE 2.86Å; D481-R572 PolarHBondContact OD2-NE 3.38Å; D481-R572 IonicContact OD2-NH2 3.65Å; F570-R572 HydrophobicContact CD1-CG 4.43Å; F570-R572 HydrophobicContact CE1-CG 3.69Å; F570-R572 HydrophobicContact CZ-CG 4.44Å; R572-F575 WeakPolarHBondContact O-CE2 3.11Å; R572-F575 WeakPolarHBondContact O-CZ 3.31Å
573	T	93.4	Very high	94.5	Very high	121 Å²	121	60.6 Å²	60.6	74%	0.742	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-42	175.3	-53.3	0	0	0	0	111.3	N571	N571-T573 PolarHBondContact O-N 3.41Å; N571-T573 VanDerWaalsContact O-N 3.12Å; N571-T573 WeakPolarHBondContact OD1-CA 3.2Å; N571-T573 WeakPolarHBondContact OD1-CB 3.5Å; N571-T573 PolarHBondContact OD1-N 3.12Å
574	L	95.3	Very high	95.2	Very high	96 Å²	96	52.9 Å²	52.9	50%	0.503	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-20.5	-174.8	-61.4	179	0	0	0	113.7	N571 N576 T588 G589	N571-L574 HydrophobicContact CB-CB 4.34Å; N571-L574 PolarHBondContact O-N 3.45Å; N571-L574 PolarHBondContact OD1-N 2.97Å; L574-N576 HydrophobicContact CB-CB 4.34Å; L574-N576 PolarHBondContact O-N 3.48Å; L574-T588 HydrophobicContact CB-CG2 4.23Å; L574-T588 WeakPolarHBondContact O-CB 3.2Å; L574-G589 PolarHBondContact O-N 3Å
575	F	95.5	Very high	95.5	Very high	22 Å²	22	57 Å²	57	10%	0.096	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	46.1	-169.3	-59.9	-84.5	0	0	0	111.3	V474 E478 F570 N571 R572 G589 F590 H595	V474-F575 HydrophobicContact CG1-CD1 3.78Å; V474-F575 HydrophobicContact CG1-CE1 3.67Å; E478-F575 HydrophobicContact CG-CE1 4.13Å; E478-F575 WeakPolarHBondContact OE1-CE1 3.22Å; E478-F575 WeakPolarHBondContact OE1-CZ 3.4Å; F570-F575 HydrophobicContact CE2-CB 4.44Å; F570-F575 AromaticContact CE2-CD1 3.95Å; F570-F575 HydrophobicContact CE2-CD1 3.95Å; F570-F575 AromaticContact CZ-CD1 3.81Å; F570-F575 HydrophobicContact CZ-CD1 3.81Å; F570-F575 HydrophobicContact CZ-CE1 4.22Å; N571-F575 WeakPolarHBondContact O-CA 3.38Å; N571-F575 PolarHBondContact O-N 3.35Å; R572-F575 WeakPolarHBondContact O-CE2 3.11Å; R572-F575 WeakPolarHBondContact O-CZ 3.31Å; F575-G589 PolarHBondContact O-N 3.06Å; F575-F590 PolarHBondContact O-N 3.44Å; F575-F590 VanDerWaalsContact O-N 3.14Å; F575-H595 AromaticContact CD1-CE1 3.79Å; F575-H595 AromaticContact CD1-NE2 3.98Å; F575-H595 AromaticContact CE1-CE1 3.65Å; F575-H595 AromaticContact CE2-CE1 3.93Å; F575-H595 AromaticContact CG-CE1 3.99Å; F575-H595 AromaticContact CG-NE2 3.95Å; F575-H595 AromaticContact CZ-CE1 3.73Å
576	N	97.4	Very high	95.8	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.053	27%	0.267	C	S	.	.			trans	-74.4	143	-176.4	63.9	-67.5	0	0	0	111.6	K568 R569 N571 L574 M586 K587 T588	K568-N576 PolarHBondContact O-ND2 2.98Å; R569-N576 PolarHBondContact O-ND2 2.99Å; R569-N576 PolarHBondContact O-OD1 3.13Å; N571-N576 WeakPolarHBondContact CB-OD1 3.16Å; N571-N576 PolarHBondContact N-OD1 3.45Å; L574-N576 HydrophobicContact CB-CB 4.34Å; L574-N576 PolarHBondContact O-N 3.48Å; N576-M586 HydrophobicContact CB-CE 3.87Å; N576-M586 WeakPolarHBondContact ND2-CE 3.13Å; N576-K587 CarbonylContact C-O 3.59Å; N576-K587 WeakPolarHBondContact CA-O 3.12Å; N576-K587 WeakPolarHBondContact CB-O 3.44Å; N576-T588 HydrophobicContact CB-CG2 4.25Å
577	Y	97.8	Very high	96	Very high	25 Å²	25	55.9 Å²	55.9	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.9	-177.1	65.8	-80.4	0	0	0	110.7	L489 M586 K587 F590	L489-Y577 CarbonylContact O-C 3.57Å; L489-Y577 WeakPolarHBondContact O-CA 3.27Å; L489-Y577 WeakPolarHBondContact O-CB 3.47Å; Y577-M586 WeakPolarHBondContact O-CA 3.35Å; Y577-M586 WeakPolarHBondContact O-CE 3.34Å; Y577-K587 HydrophobicContact CD1-CB 4.13Å; Y577-K587 HydrophobicContact CD2-CB 4.43Å; Y577-K587 HydrophobicContact CE1-CB 3.54Å; Y577-K587 HydrophobicContact CE2-CB 3.88Å; Y577-K587 HydrophobicContact CE2-CD 4.05Å; Y577-K587 HydrophobicContact CE2-CG 4.47Å; Y577-K587 VanDerWaalsContact CZ-CB 3.41Å; Y577-K587 PolarHBondContact N-O 3.18Å; Y577-K587 PolarHBondContact O-N 3.32Å; Y577-K587 WeakPolarHBondContact OH-CD 3.17Å; Y577-F590 HydrophobicContact CD1-CB 3.51Å; Y577-F590 AromaticContact CD1-CD2 3.81Å; Y577-F590 HydrophobicContact CD1-CD2 3.81Å; Y577-F590 HydrophobicContact CD1-CG 4.16Å; Y577-F590 AromaticContact CD2-CD2 3.78Å; Y577-F590 HydrophobicContact CD2-CD2 3.78Å; Y577-F590 HydrophobicContact CD2-CE2 4.41Å; Y577-F590 VanDerWaalsContact CE1-CA 3.41Å; Y577-F590 HydrophobicContact CE1-CB 3.91Å; Y577-F590 HydrophobicContact CE1-CD2 4.26Å; Y577-F590 HydrophobicContact CE2-CD2 4.23Å; Y577-F590 HydrophobicContact CG-CB 4.08Å; Y577-F590 AromaticContact CG-CD2 3.53Å; Y577-F590 HydrophobicContact CG-CD2 3.53Å; Y577-F590 HydrophobicContact CG-CE2 4.48Å; Y577-F590 HydrophobicContact CG-CG 4.29Å
578	L	98	Very high	96	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.3	169.8	-167.7	71.3	0	0	0	109.6	L489 Y490 S491 L547 T565 W567 I580 P584 M586	L489-L578 PolarHBondContact O-N 3.5Å; Y490-L578 CarbonylContact C-O 3.6Å; Y490-L578 WeakPolarHBondContact CA-O 3.35Å; Y490-L578 WeakPolarHBondContact CB-O 3.26Å; S491-L578 PolarHBondContact N-O 2.88Å; L547-L578 HydrophobicContact CD1-CD2 3.82Å; T565-L578 HydrophobicContact CG2-CD1 4.24Å; W567-L578 HydrophobicContact CB-CD2 4.21Å; W567-L578 HydrophobicContact CD2-CB 3.72Å; W567-L578 HydrophobicContact CD2-CD2 3.63Å; W567-L578 HydrophobicContact CD2-CG 4.28Å; W567-L578 HydrophobicContact CE3-CB 4.25Å; W567-L578 HydrophobicContact CE3-CD2 3.44Å; W567-L578 VanDerWaalsContact CE3-CD2 3.44Å; W567-L578 HydrophobicContact CE3-CG 4.48Å; W567-L578 HydrophobicContact CG-CB 3.94Å; W567-L578 HydrophobicContact CG-CD2 3.97Å; W567-L578 HydrophobicContact CG-CG 4.43Å; W567-L578 HydrophobicContact CZ2-CB 4.18Å; W567-L578 HydrophobicContact CZ3-CD2 4.06Å; L578-I580 HydrophobicContact CB-CD1 4.35Å; L578-I580 HydrophobicContact CD2-CD1 3.6Å; L578-I580 HydrophobicContact CG-CD1 3.91Å; L578-P584 HydrophobicContact CD1-CB 4.08Å; L578-P584 HydrophobicContact CD2-CB 4.12Å; L578-P584 HydrophobicContact CG-CB 4.12Å; L578-M586 HydrophobicContact CB-SD 4.17Å; L578-M586 HydrophobicContact CD1-CG 4.13Å; L578-M586 HydrophobicContact CD1-SD 3.85Å
579	S	97.8	Very high	96	Very high	4 Å²	4	54 Å²	54	3%	0.028	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114.4	169	170.5	0	0	0	0	108.3	D493 P584 Q585 K587	D493-S579 WeakPolarHBondContact OD2-CB 3.46Å; D493-S579 PolarHBondContact OD2-OG 2.67Å; S579-P584 WeakPolarHBondContact O-CA 3.36Å; S579-Q585 WeakPolarHBondContact CB-O 3.44Å; S579-Q585 PolarHBondContact N-O 2.84Å; S579-Q585 PolarHBondContact O-N 3.02Å; S579-K587 PolarHBondContact OG-NZ 2.8Å; S579-K587 VanDerWaalsContact OG-NZ 3.08Å
580	I	97.3	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.4	-177.9	-52.4	-61	0	0	0	109.1	Y490 S491 F492 D493 H494 F544 L547 L578	Y490-I580 HydrophobicContact CD2-CG1 3.88Å; Y490-I580 HydrophobicContact CG-CG1 4.27Å; S491-I580 PolarHBondContact O-N 2.82Å; F492-I580 HydrophobicContact CD2-CB 4Å; F492-I580 HydrophobicContact CD2-CG2 3.85Å; F492-I580 HydrophobicContact CE2-CB 4.43Å; F492-I580 HydrophobicContact CE2-CG2 3.78Å; D493-I580 PolarHBondContact N-O 2.94Å; H494-I580 PolarHBondContact N-O 3.22Å; F544-I580 HydrophobicContact CB-CG2 4.24Å; F544-I580 HydrophobicContact CD2-CD1 4.43Å; F544-I580 HydrophobicContact CD2-CG1 4.31Å; F544-I580 HydrophobicContact CD2-CG2 4.05Å; F544-I580 HydrophobicContact CE2-CG1 4.42Å; F544-I580 HydrophobicContact CG-CG2 4.29Å; L547-I580 HydrophobicContact CD1-CD1 3.66Å; L578-I580 HydrophobicContact CB-CD1 4.35Å; L578-I580 HydrophobicContact CD2-CD1 3.6Å; L578-I580 HydrophobicContact CG-CD1 3.91Å
581	T	94.9	Very high	95.5	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.184	25%	0.253	C	S	.	.	S	Bend	trans	-142	-169.9	172.8	64.6	0	0	0	0	108.7	D493 H583 P584	D493-T581 HydrophobicContact CB-CG2 3.78Å; T581-H583 PolarHBondContact O-N 3.24Å; T581-H583 VanDerWaalsContact OG1-C 3.24Å; T581-H583 PolarHBondContact OG1-N 3.38Å; T581-H583 PolarHBondContact OG1-O 3.08Å; T581-H583 VanDerWaalsContact OG1-O 3.06Å; T581-P584 WeakPolarHBondContact O-CD 3.47Å
582	D	93.3	Very high	95.2	Very high	34 Å²	34	52.9 Å²	52.9	18%	0.182	26%	0.263	C	S	.	.	S	Bend	trans	-69.2	-12.7	172.4	74.7	-34.6	0	0	0	112.8	I536 R539 V540 I543	I536-D582 HydrophobicContact CG2-CB 3.75Å; R539-D582 HydrophobicContact CG-CB 4.5Å; R539-D582 VanDerWaalsContact CZ-O 3.24Å; R539-D582 PolarHBondContact NE-O 3.46Å; R539-D582 PolarHBondContact NH2-O 3.17Å; V540-D582 HydrophobicContact CG2-CB 3.81Å; I543-D582 WeakPolarHBondContact CD1-O 3.43Å
583	H	93.9	Very high	95	Very high	94 Å²	94	55.3 Å²	55.3	44%	0.435	27%	0.272	S	S	.	.	S	Bend	trans	-133.3	79.7	171.3	-59.1	86.2	0	0	0	109.8	R539 T581 Q585	R539-H583 PolarHBondContact NH1-CE1 3.37Å; R539-H583 PolarHBondContact NH1-NE2 3.47Å; R539-H583 PolarHBondContact NH2-NE2 2.83Å; T581-H583 PolarHBondContact O-N 3.24Å; T581-H583 VanDerWaalsContact OG1-C 3.24Å; T581-H583 PolarHBondContact OG1-N 3.38Å; T581-H583 PolarHBondContact OG1-O 3.08Å; T581-H583 VanDerWaalsContact OG1-O 3.06Å; H583-Q585 WeakPolarHBondContact O-CG 3.42Å; H583-Q585 PolarHBondContact O-N 3.12Å
584	P	96.2	Very high	94.6	Very high	12 Å²	12	49.5 Å²	49.5	8%	0.078	24%	0.236	C	C	.	.			trans	-58.7	139.2	-174.7	-23.4	31.3	0	0	0	113	I543 T565 L578 S579 T581	I543-P584 HydrophobicContact CD1-CG 4.3Å; I543-P584 HydrophobicContact CG2-CG 3.49Å; I543-P584 VanDerWaalsContact CG2-CG 3.49Å; T565-P584 WeakPolarHBondContact CB-O 3.48Å; T565-P584 WeakPolarHBondContact CG2-O 3.33Å; T565-P584 PolarHBondContact OG1-O 3.41Å; L578-P584 HydrophobicContact CD1-CB 4.08Å; L578-P584 HydrophobicContact CD2-CB 4.12Å; L578-P584 HydrophobicContact CG-CB 4.12Å; S579-P584 WeakPolarHBondContact O-CA 3.36Å; T581-P584 WeakPolarHBondContact O-CD 3.47Å
585	Q	96.4	Very high	94.2	Very high	118 Å²	118	45.2 Å²	45.2	55%	0.551	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.5	-177.1	-70.5	176.8	16.8	0	0	111.6	S579 H583 K587	S579-Q585 WeakPolarHBondContact CB-O 3.44Å; S579-Q585 PolarHBondContact N-O 2.84Å; S579-Q585 PolarHBondContact O-N 3.02Å; H583-Q585 WeakPolarHBondContact O-CG 3.42Å; H583-Q585 PolarHBondContact O-N 3.12Å; Q585-K587 PolarHBondContact O-N 3.26Å
586	M	97.5	Very high	94.1	Very high	55 Å²	55	45.7 Å²	45.7	27%	0.271	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.3	169.7	-77	-60.9	-47.4	0	0	109.7	K566 W567 K568 N576 Y577 L578	K566-M586 WeakPolarHBondContact O-CG 3.35Å; W567-M586 HydrophobicContact CG-SD 4.43Å; K568-M586 HydrophobicContact CB-CE 4.07Å; K568-M586 HydrophobicContact CB-SD 4.46Å; N576-M586 HydrophobicContact CB-CE 3.87Å; N576-M586 WeakPolarHBondContact ND2-CE 3.13Å; Y577-M586 WeakPolarHBondContact O-CA 3.35Å; Y577-M586 WeakPolarHBondContact O-CE 3.34Å; L578-M586 HydrophobicContact CB-SD 4.17Å; L578-M586 HydrophobicContact CD1-CG 4.13Å; L578-M586 HydrophobicContact CD1-SD 3.85Å
587	K	97.3	Very high	94	Very high	79 Å²	79	45.7 Å²	45.7	34%	0.343	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	169.5	175	-66.6	-177.2	-174.6	165	0	110.2	D493 N576 Y577 S579 Q585	D493-K587 IonicContact OD2-NZ 2.65Å; D493-K587 PolarHBondContact OD2-NZ 2.85Å; N576-K587 CarbonylContact C-O 3.59Å; N576-K587 WeakPolarHBondContact CA-O 3.12Å; N576-K587 WeakPolarHBondContact CB-O 3.44Å; Y577-K587 HydrophobicContact CD1-CB 4.13Å; Y577-K587 HydrophobicContact CD2-CB 4.43Å; Y577-K587 HydrophobicContact CE1-CB 3.54Å; Y577-K587 HydrophobicContact CE2-CB 3.88Å; Y577-K587 HydrophobicContact CE2-CD 4.05Å; Y577-K587 HydrophobicContact CE2-CG 4.47Å; Y577-K587 VanDerWaalsContact CZ-CB 3.41Å; Y577-K587 PolarHBondContact N-O 3.18Å; Y577-K587 PolarHBondContact O-N 3.32Å; Y577-K587 WeakPolarHBondContact OH-CD 3.17Å; S579-K587 PolarHBondContact OG-NZ 2.8Å; S579-K587 VanDerWaalsContact OG-NZ 3.08Å; Q585-K587 PolarHBondContact O-N 3.26Å
588	T	96.5	Very high	93.8	Very high	93 Å²	93	45.1 Å²	45.1	57%	0.571	22%	0.219	S	C	*	.	S	Bend	trans	-124.1	162.2	176.5	54.8	0	0	0	0	110.5	L574 N576	L574-T588 HydrophobicContact CB-CG2 4.23Å; L574-T588 WeakPolarHBondContact O-CB 3.2Å; N576-T588 HydrophobicContact CB-CG2 4.25Å
589	G	94.3	Very high	93.6	Very high	22 Å²	22	46.2 Å²	46.2	23%	0.227	23%	0.225	C	C	.	.	S	Bend	trans	67.1	47.4	178.4	0	0	0	0	0	113.5	L574 F575 H591 W592	L574-G589 PolarHBondContact O-N 3Å; F575-G589 PolarHBondContact O-N 3.06Å; G589-H591 PolarHBondContact O-N 3.34Å; G589-W592 PolarHBondContact O-N 2.86Å; G589-W592 VanDerWaalsContact O-N 3.16Å
590	F	94.6	Very high	93.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	107.5	177.2	-178.3	-96.6	0	0	0	111.5	T360 H470 V474 L489 Y490 F575 Y577 W592 H595	T360-F590 HydrophobicContact CG2-CZ 4.33Å; T360-F590 VanDerWaalsContact OG1-CZ 3.27Å; T360-F590 WeakPolarHBondContact OG1-CZ 3.4Å; H470-F590 HydrophobicContact CB-CE1 4.2Å; V474-F590 HydrophobicContact CG2-CD1 3.44Å; V474-F590 VanDerWaalsContact CG2-CD1 3.44Å; V474-F590 HydrophobicContact CG2-CE1 3.92Å; V474-F590 HydrophobicContact CG2-CG 4.49Å; L489-F590 HydrophobicContact CD1-CE1 4.27Å; L489-F590 HydrophobicContact CD1-CE2 4.26Å; L489-F590 HydrophobicContact CD1-CZ 4.08Å; L489-F590 HydrophobicContact CD2-CB 3.79Å; L489-F590 HydrophobicContact CD2-CD1 3.9Å; L489-F590 HydrophobicContact CD2-CD2 3.97Å; L489-F590 HydrophobicContact CD2-CE1 4.4Å; L489-F590 HydrophobicContact CD2-CE2 4.47Å; L489-F590 HydrophobicContact CD2-CG 3.62Å; L489-F590 HydrophobicContact CG-CD2 4.07Å; L489-F590 HydrophobicContact CG-CE2 4.2Å; L489-F590 HydrophobicContact CG-CG 4.22Å; L489-F590 HydrophobicContact CG-CZ 4.46Å; Y490-F590 VanDerWaalsContact O-CE2 3.25Å; Y490-F590 WeakPolarHBondContact O-CE2 3.41Å; F575-F590 PolarHBondContact O-N 3.44Å; F575-F590 VanDerWaalsContact O-N 3.14Å; Y577-F590 HydrophobicContact CD1-CB 3.51Å; Y577-F590 AromaticContact CD1-CD2 3.81Å; Y577-F590 HydrophobicContact CD1-CD2 3.81Å; Y577-F590 HydrophobicContact CD1-CG 4.16Å; Y577-F590 AromaticContact CD2-CD2 3.78Å; Y577-F590 HydrophobicContact CD2-CD2 3.78Å; Y577-F590 HydrophobicContact CD2-CE2 4.41Å; Y577-F590 VanDerWaalsContact CE1-CA 3.41Å; Y577-F590 HydrophobicContact CE1-CB 3.91Å; Y577-F590 HydrophobicContact CE1-CD2 4.26Å; Y577-F590 HydrophobicContact CE2-CD2 4.23Å; Y577-F590 HydrophobicContact CG-CB 4.08Å; Y577-F590 AromaticContact CG-CD2 3.53Å; Y577-F590 HydrophobicContact CG-CD2 3.53Å; Y577-F590 HydrophobicContact CG-CE2 4.48Å; Y577-F590 HydrophobicContact CG-CG 4.29Å; F590-W592 PolarHBondContact O-N 3.49Å; F590-H595 PolarHBondContact O-CD2 3.4Å; F590-H595 PolarHBondContact O-NE2 2.92Å
591	H	90.1	Very high	93.3	Very high	43 Å²	43	57.8 Å²	57.8	20%	0.199	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	40	47.2	-177.8	-59.4	-79.1	0	0	0	114.1	S362 H470 G589 R593 G594 H595	S362-H591 PolarHBondContact O-CE1 3.35Å; H470-H591 HydrophobicContact CB-CB 4.01Å; H470-H591 AromaticContact CD2-CD2 3.96Å; H470-H591 AromaticContact CE1-CD2 3.92Å; H470-H591 AromaticContact CE1-CE1 3.57Å; H470-H591 AromaticContact CE1-CG 3.73Å; H470-H591 AromaticContact CE1-ND1 3.5Å; H470-H591 AromaticContact CE1-NE2 3.86Å; H470-H591 AromaticContact CG-CD2 3.87Å; H470-H591 AromaticContact CG-CG 3.82Å; H470-H591 AromaticContact ND1-CD2 3.87Å; H470-H591 AromaticContact ND1-CG 3.44Å; H470-H591 AromaticContact ND1-ND1 3.6Å; H470-H591 AromaticContact NE2-CD2 3.99Å; H470-H591 AromaticContact NE2-CE1 3.93Å; H470-H591 AromaticContact NE2-NE2 3.83Å; G589-H591 PolarHBondContact O-N 3.34Å; H591-R593 VanDerWaalsContact C-N 3.32Å; H591-R593 PolarHBondContact O-N 2.86Å; H591-R593 VanDerWaalsContact O-N 3.13Å; H591-G594 PolarHBondContact O-N 3.44Å; H591-G594 VanDerWaalsContact O-N 3.16Å; H591-H595 PolarHBondContact O-CD2 3.5Å; H591-H595 PolarHBondContact O-N 2.86Å
592	W	89.7	Confident	93.2	Very high	149 Å²	149	56.5 Å²	56.5	56%	0.564	26%	0.261	S	S	*	.	H	α-helix	trans	-58.2	-36	-159.8	74.1	-90.9	0	0	0	116.1	G589 F590 H595 A596	G589-W592 PolarHBondContact O-N 2.86Å; G589-W592 VanDerWaalsContact O-N 3.16Å; F590-W592 PolarHBondContact O-N 3.49Å; W592-H595 WeakPolarHBondContact CA-CD2 3.37Å; W592-H595 VanDerWaalsContact CA-NE2 3.33Å; W592-H595 WeakPolarHBondContact CA-NE2 3.33Å; W592-A596 WeakPolarHBondContact O-CB 3.36Å; W592-A596 PolarHBondContact O-N 3.06Å
593	R	87.4	Confident	93.1	Very high	154 Å²	154	61.4 Å²	61.4	58%	0.581	28%	0.277	S	S	*	.	H	α-helix	trans	-60.5	-50.4	179.9	-69.9	-175.5	175.3	147.9	-3.6	111.1	H591 A596 F597	H591-R593 VanDerWaalsContact C-N 3.32Å; H591-R593 PolarHBondContact O-N 2.86Å; H591-R593 VanDerWaalsContact O-N 3.13Å; R593-A596 PolarHBondContact O-N 3.39Å; R593-F597 WeakPolarHBondContact O-CB 3.48Å; R593-F597 PolarHBondContact O-N 3.49Å
594	G	85.8	Confident	93	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-50	-177	0	0	0	0	0	113.6	Q466 H591 A596 F597 W598	Q466-G594 VanDerWaalsContact CD-CA 3.4Å; H591-G594 PolarHBondContact O-N 3.44Å; H591-G594 VanDerWaalsContact O-N 3.16Å; G594-A596 VanDerWaalsContact C-N 3.33Å; G594-A596 PolarHBondContact O-N 3.37Å; G594-F597 PolarHBondContact O-N 2.86Å; G594-W598 WeakPolarHBondContact O-CB 3.44Å; G594-W598 PolarHBondContact O-N 3.09Å
595	H	86.6	Confident	92.9	Very high	6 Å²	6	65 Å²	65	3%	0.028	29%	0.291	C	S	.	.	H	α-helix	trans	-70.9	-30.4	-180	79.8	80.5	0	0	0	112.2	A471 V474 F575 F590 H591 W592 N599	A471-H595 HydrophobicContact CB-CB 4.17Å; V474-H595 HydrophobicContact CB-CB 4.04Å; V474-H595 HydrophobicContact CG1-CB 4.21Å; V474-H595 HydrophobicContact CG2-CB 4.05Å; F575-H595 AromaticContact CD1-CE1 3.79Å; F575-H595 AromaticContact CD1-NE2 3.98Å; F575-H595 AromaticContact CE1-CE1 3.65Å; F575-H595 AromaticContact CE2-CE1 3.93Å; F575-H595 AromaticContact CG-CE1 3.99Å; F575-H595 AromaticContact CG-NE2 3.95Å; F575-H595 AromaticContact CZ-CE1 3.73Å; F590-H595 PolarHBondContact O-CD2 3.4Å; F590-H595 PolarHBondContact O-NE2 2.92Å; H591-H595 PolarHBondContact O-CD2 3.5Å; H591-H595 PolarHBondContact O-N 2.86Å; W592-H595 WeakPolarHBondContact CA-CD2 3.37Å; W592-H595 VanDerWaalsContact CA-NE2 3.33Å; W592-H595 WeakPolarHBondContact CA-NE2 3.33Å; H595-N599 WeakPolarHBondContact O-CA 3.23Å; H595-N599 WeakPolarHBondContact O-CB 3.44Å; H595-N599 PolarHBondContact O-N 3.47Å
596	A	92.5	Very high	92.6	Very high	32 Å²	32	60.7 Å²	60.7	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-44.1	173	0	0	0	0	0	111.3	W592 R593 G594 R600 Y601	W592-A596 WeakPolarHBondContact O-CB 3.36Å; W592-A596 PolarHBondContact O-N 3.06Å; R593-A596 PolarHBondContact O-N 3.39Å; G594-A596 VanDerWaalsContact C-N 3.33Å; G594-A596 PolarHBondContact O-N 3.37Å; A596-R600 VanDerWaalsContact O-CB 3.32Å; A596-R600 WeakPolarHBondContact O-CB 3.39Å; A596-R600 PolarHBondContact O-N 3.04Å; A596-Y601 PolarHBondContact O-N 3.4Å
597	F	95.3	Very high	92.2	Very high	9 Å²	9	62.1 Å²	62.1	4%	0.039	29%	0.293	C	S	.	.	I	π-helix	trans	-61.7	-61.4	175.8	-179.5	-93.9	0	0	0	110.9	G437 C438 E441 Y442 R593 G594 Y601 A602	G437-F597 WeakPolarHBondContact O-CE2 3.39Å; C438-F597 HydrophobicContact CB-CZ 4.39Å; E441-F597 HydrophobicContact CB-CD2 3.82Å; E441-F597 HydrophobicContact CB-CE2 3.74Å; E441-F597 HydrophobicContact CB-CG 4.5Å; E441-F597 HydrophobicContact CB-CZ 4.37Å; E441-F597 HydrophobicContact CG-CB 4.49Å; E441-F597 HydrophobicContact CG-CD2 3.81Å; E441-F597 HydrophobicContact CG-CE2 4.24Å; E441-F597 HydrophobicContact CG-CG 4.11Å; Y442-F597 AromaticContact CE2-CD1 3.87Å; Y442-F597 HydrophobicContact CE2-CD1 3.87Å; Y442-F597 AromaticContact CE2-CE1 3.87Å; Y442-F597 HydrophobicContact CE2-CE1 3.87Å; Y442-F597 HydrophobicContact CE2-CG 4.43Å; Y442-F597 HydrophobicContact CE2-CZ 4.41Å; R593-F597 WeakPolarHBondContact O-CB 3.48Å; R593-F597 PolarHBondContact O-N 3.49Å; G594-F597 PolarHBondContact O-N 2.86Å; F597-Y601 AromaticContact CD2-CD1 3.72Å; F597-Y601 HydrophobicContact CD2-CD1 3.72Å; F597-Y601 HydrophobicContact CD2-CE1 4.48Å; F597-Y601 AromaticContact CE2-CD1 3.54Å; F597-Y601 HydrophobicContact CE2-CD1 3.54Å; F597-Y601 AromaticContact CE2-CE1 3.97Å; F597-Y601 HydrophobicContact CE2-CE1 3.97Å; F597-Y601 HydrophobicContact CZ-CD1 4.43Å; F597-Y601 CarbonylContact O-C 3.49Å; F597-Y601 WeakPolarHBondContact O-CA 3.45Å; F597-Y601 WeakPolarHBondContact O-CB 3.42Å; F597-Y601 PolarHBondContact O-N 3.04Å; F597-A602 HydrophobicContact CE1-CB 4.22Å; F597-A602 PolarHBondContact O-N 3.24Å
598	W	95.2	Very high	91.6	Very high	14 Å²	14	60.7 Å²	60.7	5%	0.053	29%	0.29	C	S	.	.	I	π-helix	trans	-70.6	-43.6	-173.1	-67.6	114.2	0	0	0	113.7	F428 I434 C438 Y442 M463 F467 A471 G594 A602	F428-W598 HydrophobicContact CE2-CZ3 4.23Å; F428-W598 HydrophobicContact CZ-CE3 4.29Å; F428-W598 AromaticContact CZ-CZ3 3.74Å; F428-W598 HydrophobicContact CZ-CZ3 3.74Å; I434-W598 HydrophobicContact CG2-CZ3 4.22Å; C438-W598 WeakPolarHBondContact SG-CH2 3.35Å; Y442-W598 AromaticContact CE2-CZ2 3.95Å; Y442-W598 HydrophobicContact CE2-CZ2 3.95Å; Y442-W598 AromaticContact CZ-NE1 3.84Å; Y442-W598 PolarHBondContact OH-NE1 2.87Å; M463-W598 HydrophobicContact CG-CZ2 3.86Å; F467-W598 HydrophobicContact CB-CD2 4.15Å; F467-W598 HydrophobicContact CB-CH2 4.49Å; F467-W598 HydrophobicContact CB-CZ2 3.84Å; F467-W598 AromaticContact CD2-CD2 3.65Å; F467-W598 HydrophobicContact CD2-CD2 3.65Å; F467-W598 AromaticContact CD2-CE2 3.93Å; F467-W598 AromaticContact CD2-CE3 3.58Å; F467-W598 HydrophobicContact CD2-CE3 3.58Å; F467-W598 HydrophobicContact CD2-CG 4.27Å; F467-W598 HydrophobicContact CD2-CH2 4.04Å; F467-W598 HydrophobicContact CD2-CZ2 4.13Å; F467-W598 AromaticContact CD2-CZ3 3.79Å; F467-W598 HydrophobicContact CD2-CZ3 3.79Å; F467-W598 HydrophobicContact CE2-CE3 4.09Å; F467-W598 HydrophobicContact CE2-CZ3 4.13Å; F467-W598 HydrophobicContact CG-CD2 4.32Å; F467-W598 HydrophobicContact CG-CH2 4.32Å; F467-W598 HydrophobicContact CG-CZ2 4.15Å; A471-W598 HydrophobicContact CB-CB 3.71Å; A471-W598 HydrophobicContact CB-CG 4.37Å; G594-W598 WeakPolarHBondContact O-CB 3.44Å; G594-W598 PolarHBondContact O-N 3.09Å; W598-A602 HydrophobicContact CE3-CB 3.88Å; W598-A602 HydrophobicContact CZ3-CB 4.34Å
599	N	93.6	Very high	90.7	Very high	22 Å²	22	60.9 Å²	60.9	12%	0.118	29%	0.288	C	S	.	.	I	π-helix	trans	-83.1	-14.1	-175.8	-62.6	-27.3	0	0	0	113.8	A471 H595 R603	A471-N599 PolarHBondContact O-ND2 3.17Å; A471-N599 PolarHBondContact O-OD1 3.43Å; H595-N599 WeakPolarHBondContact O-CA 3.23Å; H595-N599 WeakPolarHBondContact O-CB 3.44Å; H595-N599 PolarHBondContact O-N 3.47Å; N599-R603 WeakPolarHBondContact O-CD 3.31Å
600	R	92.9	Very high	89.7	Confident	137 Å²	137	62 Å²	62	52%	0.517	29%	0.29	S	S	.	.	I	π-helix	trans	-126.7	-56.1	-178.3	-55.1	-179.1	177	-179.7	0.2	113.6	E478 A596 K604	E478-R600 IonicContact OE1-NH2 3.54Å; A596-R600 VanDerWaalsContact O-CB 3.32Å; A596-R600 WeakPolarHBondContact O-CB 3.39Å; A596-R600 PolarHBondContact O-N 3.04Å; R600-K604 VanDerWaalsContact O-CG 3.3Å; R600-K604 WeakPolarHBondContact O-CG 3.42Å; R600-K604 PolarHBondContact O-N 3.05Å
601	Y	94.7	Very high	88.6	Confident	111 Å²	111	64.3 Å²	64.3	44%	0.435	31%	0.314	S	S	.	.	I	π-helix	trans	-73.2	-53.4	-173.7	-177.7	-111.4	0	0	0	112.1	A596 F597 R603 K604 L605	A596-Y601 PolarHBondContact O-N 3.4Å; F597-Y601 AromaticContact CD2-CD1 3.72Å; F597-Y601 HydrophobicContact CD2-CD1 3.72Å; F597-Y601 HydrophobicContact CD2-CE1 4.48Å; F597-Y601 AromaticContact CE2-CD1 3.54Å; F597-Y601 HydrophobicContact CE2-CD1 3.54Å; F597-Y601 AromaticContact CE2-CE1 3.97Å; F597-Y601 HydrophobicContact CE2-CE1 3.97Å; F597-Y601 HydrophobicContact CZ-CD1 4.43Å; F597-Y601 CarbonylContact O-C 3.49Å; F597-Y601 WeakPolarHBondContact O-CA 3.45Å; F597-Y601 WeakPolarHBondContact O-CB 3.42Å; F597-Y601 PolarHBondContact O-N 3.04Å; Y601-R603 VanDerWaalsContact C-N 3.31Å; Y601-R603 PolarHBondContact O-N 3.36Å; Y601-K604 WeakPolarHBondContact O-CB 3.35Å; Y601-K604 PolarHBondContact O-N 3.16Å; Y601-L605 HydrophobicContact CD1-CD1 3.89Å; Y601-L605 HydrophobicContact CD1-CG 4.46Å; Y601-L605 HydrophobicContact CE1-CD1 3.46Å; Y601-L605 VanDerWaalsContact CE1-CD1 3.46Å; Y601-L605 HydrophobicContact CE1-CG 4.16Å; Y601-L605 HydrophobicContact CE2-CD2 4.42Å; Y601-L605 HydrophobicContact CE2-CG 4.47Å; Y601-L605 PolarHBondContact O-N 3.13Å
602	A	93.4	Very high	87.4	Confident	3 Å²	3	66.1 Å²	66.1	3%	0.025	33%	0.325	C	S	.	.	I	π-helix	trans	-57.9	-42.2	178.6	0	0	0	0	0	111.8	F597 W598 K604 L605 D606	F597-A602 HydrophobicContact CE1-CB 4.22Å; F597-A602 PolarHBondContact O-N 3.24Å; W598-A602 HydrophobicContact CE3-CB 3.88Å; W598-A602 HydrophobicContact CZ3-CB 4.34Å; A602-K604 VanDerWaalsContact C-N 3.31Å; A602-K604 PolarHBondContact O-N 3.01Å; A602-L605 WeakPolarHBondContact O-CB 3.47Å; A602-L605 PolarHBondContact O-N 2.62Å; A602-D606 PolarHBondContact O-N 2.9Å
603	R	91.2	Very high	86.4	Confident	137 Å²	137	63.5 Å²	63.5	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-35	174.6	-65.2	-172.7	76.3	165.6	5.6	113.4	N599 Y601 D606 A607	N599-R603 WeakPolarHBondContact O-CD 3.31Å; Y601-R603 VanDerWaalsContact C-N 3.31Å; Y601-R603 PolarHBondContact O-N 3.36Å; R603-D606 PolarHBondContact O-N 3.16Å; R603-A607 WeakPolarHBondContact O-CB 3.35Å; R603-A607 PolarHBondContact O-N 2.89Å
604	K	92.5	Very high	85.6	Confident	155 Å²	155	65 Å²	65	67%	0.674	33%	0.327	S	S	*	.	H	α-helix	trans	-69.3	-40.3	174.3	-77.4	177.1	-179.6	-173.8	0	111.6	R600 Y601 A602 D606 A607 V608	R600-K604 VanDerWaalsContact O-CG 3.3Å; R600-K604 WeakPolarHBondContact O-CG 3.42Å; R600-K604 PolarHBondContact O-N 3.05Å; Y601-K604 WeakPolarHBondContact O-CB 3.35Å; Y601-K604 PolarHBondContact O-N 3.16Å; A602-K604 VanDerWaalsContact C-N 3.31Å; A602-K604 PolarHBondContact O-N 3.01Å; K604-D606 VanDerWaalsContact C-N 3.29Å; K604-A607 PolarHBondContact O-N 3.38Å; K604-V608 WeakPolarHBondContact O-CG2 3.44Å; K604-V608 PolarHBondContact O-N 2.95Å
605	L	92.4	Very high	84.9	Confident	25 Å²	25	70.7 Å²	70.7	13%	0.131	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-41.4	172.8	-65.7	176.8	0	0	0	110.9	N430 L433 I434 Y601 A602 A607 V608	N430-L605 PolarHBondContact ND2-O 3.48Å; L433-L605 HydrophobicContact CB-CB 4.21Å; I434-L605 HydrophobicContact CG1-CB 4.26Å; Y601-L605 HydrophobicContact CD1-CD1 3.89Å; Y601-L605 HydrophobicContact CD1-CG 4.46Å; Y601-L605 HydrophobicContact CE1-CD1 3.46Å; Y601-L605 VanDerWaalsContact CE1-CD1 3.46Å; Y601-L605 HydrophobicContact CE1-CG 4.16Å; Y601-L605 HydrophobicContact CE2-CD2 4.42Å; Y601-L605 HydrophobicContact CE2-CG 4.47Å; Y601-L605 PolarHBondContact O-N 3.13Å; A602-L605 WeakPolarHBondContact O-CB 3.47Å; A602-L605 PolarHBondContact O-N 2.62Å; L605-A607 VanDerWaalsContact C-N 3.33Å; L605-A607 PolarHBondContact O-N 3.23Å; L605-V608 WeakPolarHBondContact O-CB 3.37Å; L605-V608 PolarHBondContact O-N 3.29Å
606	D	90.8	Very high	84.3	Confident	29 Å²	29	75 Å²	75	16%	0.155	37%	0.374	C	S	.	.	H	α-helix	trans	-66.7	-33.8	178.3	-155	44.2	0	0	0	113.2	H429 N430 I434 A602 R603 K604 V608	H429-D606 WeakPolarHBondContact CA-OD1 3.46Å; H429-D606 IonicContact CG-OD2 2.78Å; H429-D606 PolarHBondContact N-OD1 3.33Å; H429-D606 PolarHBondContact N-OD2 3.48Å; H429-D606 IonicContact ND1-OD2 3.34Å; H429-D606 PolarHBondContact ND1-OD2 3.49Å; N430-D606 PolarHBondContact N-OD1 3.25Å; N430-D606 PolarHBondContact ND2-O 3.14Å; I434-D606 HydrophobicContact CD1-CB 3.89Å; I434-D606 WeakPolarHBondContact CD1-OD1 3.48Å; A602-D606 PolarHBondContact O-N 2.9Å; R603-D606 PolarHBondContact O-N 3.16Å; K604-D606 VanDerWaalsContact C-N 3.29Å; D606-V608 VanDerWaalsContact C-N 3.29Å; D606-V608 PolarHBondContact O-N 2.94Å
607	A	88.4	Confident	83.6	Confident	85 Å²	85	77.2 Å²	77.2	70%	0.702	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.4	178.3	0	0	0	0	0	114.6	R603 K604 L605 D609	R603-A607 WeakPolarHBondContact O-CB 3.35Å; R603-A607 PolarHBondContact O-N 2.89Å; K604-A607 PolarHBondContact O-N 3.38Å; L605-A607 VanDerWaalsContact C-N 3.33Å; L605-A607 PolarHBondContact O-N 3.23Å; A607-D609 PolarHBondContact O-N 2.82Å
608	V	85.7	Confident	82.9	Confident	49 Å²	49	79.1 Å²	79.1	30%	0.297	40%	0.399	S	S	.	.			trans	-67.1	121.7	178.2	177.1	0	0	0	0	110.1	N430 L433 K604 L605 D606 V610 L613	N430-V608 PolarHBondContact ND2-O 2.86Å; L433-V608 HydrophobicContact CD1-CB 3.93Å; L433-V608 HydrophobicContact CD1-CG1 4.13Å; L433-V608 HydrophobicContact CD1-CG2 4.24Å; K604-V608 WeakPolarHBondContact O-CG2 3.44Å; K604-V608 PolarHBondContact O-N 2.95Å; L605-V608 WeakPolarHBondContact O-CB 3.37Å; L605-V608 PolarHBondContact O-N 3.29Å; D606-V608 VanDerWaalsContact C-N 3.29Å; D606-V608 PolarHBondContact O-N 2.94Å; V608-V610 HydrophobicContact CG1-CG2 4.19Å; V608-V610 PolarHBondContact O-N 3.32Å; V608-L613 HydrophobicContact CG1-CD1 3.45Å; V608-L613 VanDerWaalsContact CG1-CD1 3.45Å; V608-L613 HydrophobicContact CG1-CG 4.46Å
609	D	78.5	Confident	82.1	Confident	97 Å²	97	82.2 Å²	82.2	52%	0.519	42%	0.416	S	S	.	.			trans	-77.1	87.5	171	-171.6	-15.5	0	0	0	110.4	A607 G611 N612 L613	A607-D609 PolarHBondContact O-N 2.82Å; D609-G611 PolarHBondContact O-N 2.92Å; D609-G611 WeakPolarHBondContact OD1-CA 3.35Å; D609-G611 PolarHBondContact OD1-N 2.98Å; D609-G611 VanDerWaalsContact OD1-N 3.11Å; D609-N612 HydrophobicContact CB-CB 3.99Å; D609-N612 VanDerWaalsContact CG-CB 3.46Å; D609-N612 PolarHBondContact O-N 3.49Å; D609-N612 PolarHBondContact OD1-N 2.85Å; D609-N612 WeakPolarHBondContact OD2-CB 3.43Å; D609-L613 PolarHBondContact O-N 3.48Å; D609-L613 VanDerWaalsContact O-N 3.08Å
610	V	73.1	Confident	81.5	Confident	45 Å²	45	83.7 Å²	83.7	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-63.9	-28.6	179.2	-174.9	0	0	0	0	111.3	N430 L433 V608 L613 R614	N430-V610 WeakPolarHBondContact OD1-CG2 3.14Å; L433-V610 HydrophobicContact CD1-CG2 3.94Å; V608-V610 HydrophobicContact CG1-CG2 4.19Å; V608-V610 PolarHBondContact O-N 3.32Å; V610-L613 PolarHBondContact O-N 3.04Å; V610-R614 WeakPolarHBondContact O-CG 3.44Å; V610-R614 PolarHBondContact O-N 3.38Å
611	G	70.1	Confident	81.1	Confident	48 Å²	48	82.7 Å²	82.7	50%	0.495	43%	0.428	S	S	.	.	H	α-helix	trans	-63.5	-47.1	175.9	0	0	0	0	0	111.1	D609 L613 R614 F615	D609-G611 PolarHBondContact O-N 2.92Å; D609-G611 WeakPolarHBondContact OD1-CA 3.35Å; D609-G611 PolarHBondContact OD1-N 2.98Å; D609-G611 VanDerWaalsContact OD1-N 3.11Å; G611-L613 PolarHBondContact O-N 3.39Å; G611-R614 PolarHBondContact O-N 3.44Å; G611-F615 PolarHBondContact O-N 2.54Å
612	N	66	Low	80.7	Confident	81 Å²	81	82.5 Å²	82.5	43%	0.433	43%	0.431	S	S	.	.	H	α-helix	trans	-67.3	-35.5	177.6	-143.6	-3.8	0	0	0	112	D609 R614 F615 I616	D609-N612 HydrophobicContact CB-CB 3.99Å; D609-N612 VanDerWaalsContact CG-CB 3.46Å; D609-N612 PolarHBondContact O-N 3.49Å; D609-N612 PolarHBondContact OD1-N 2.85Å; D609-N612 WeakPolarHBondContact OD2-CB 3.43Å; N612-R614 PolarHBondContact O-N 3.13Å; N612-F615 PolarHBondContact O-N 2.73Å; N612-I616 WeakPolarHBondContact O-CB 3.45Å; N612-I616 VanDerWaalsContact O-CG1 3.23Å; N612-I616 WeakPolarHBondContact O-CG1 3.38Å; N612-I616 PolarHBondContact O-N 3.28Å
613	L	67.4	Low	80.3	Confident	95 Å²	95	87 Å²	87	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-42.4	172.3	-73	174.1	0	0	0	112.6	V608 D609 V610 G611 F615 I616 D617	V608-L613 HydrophobicContact CG1-CD1 3.45Å; V608-L613 VanDerWaalsContact CG1-CD1 3.45Å; V608-L613 HydrophobicContact CG1-CG 4.46Å; D609-L613 PolarHBondContact O-N 3.48Å; D609-L613 VanDerWaalsContact O-N 3.08Å; V610-L613 PolarHBondContact O-N 3.04Å; G611-L613 PolarHBondContact O-N 3.39Å; L613-F615 VanDerWaalsContact C-N 3.32Å; L613-I616 PolarHBondContact O-N 3Å; L613-D617 WeakPolarHBondContact O-CB 3.5Å; L613-D617 PolarHBondContact O-N 3.42Å
614	R	71.9	Confident	80	Confident	184 Å²	184	86.3 Å²	86.3	69%	0.694	46%	0.457	S	S	*	.	H	α-helix	trans	-65	-38.2	174.8	-71.8	179.3	-178.1	-172.7	3.1	111.8	V610 G611 N612 D617 A618	V610-R614 WeakPolarHBondContact O-CG 3.44Å; V610-R614 PolarHBondContact O-N 3.38Å; G611-R614 PolarHBondContact O-N 3.44Å; N612-R614 PolarHBondContact O-N 3.13Å; R614-D617 PolarHBondContact O-N 3.06Å; R614-A618 WeakPolarHBondContact O-CB 3.49Å; R614-A618 PolarHBondContact O-N 2.87Å
615	F	71.4	Confident	79.7	Confident	121 Å²	121	82.7 Å²	82.7	53%	0.531	45%	0.451	S	S	.	.	H	α-helix	trans	-65.1	-43.7	175.2	-179.8	-110.2	0	0	0	111.8	G611 N612 L613 A618 L619	G611-F615 PolarHBondContact O-N 2.54Å; N612-F615 PolarHBondContact O-N 2.73Å; L613-F615 VanDerWaalsContact C-N 3.32Å; F615-A618 PolarHBondContact O-N 3.47Å; F615-L619 HydrophobicContact CD1-CD1 3.74Å; F615-L619 HydrophobicContact CD1-CG 4.47Å; F615-L619 HydrophobicContact CE1-CD1 3.28Å; F615-L619 HydrophobicContact CE1-CG 4.12Å; F615-L619 HydrophobicContact CE2-CD1 4.36Å; F615-L619 HydrophobicContact CE2-CG 4.35Å; F615-L619 HydrophobicContact CG-CD1 4.46Å; F615-L619 HydrophobicContact CZ-CD1 3.63Å; F615-L619 HydrophobicContact CZ-CD2 4.36Å; F615-L619 HydrophobicContact CZ-CG 4.04Å; F615-L619 WeakPolarHBondContact O-CB 3.46Å; F615-L619 WeakPolarHBondContact O-CG 3.41Å; F615-L619 PolarHBondContact O-N 3.19Å
616	I	74	Confident	79.6	Confident	95 Å²	95	88.8 Å²	88.8	49%	0.487	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-42.4	174.9	-68.4	165.1	0	0	0	111.1	N612 L613 L619 S620	N612-I616 WeakPolarHBondContact O-CB 3.45Å; N612-I616 VanDerWaalsContact O-CG1 3.23Å; N612-I616 WeakPolarHBondContact O-CG1 3.38Å; N612-I616 PolarHBondContact O-N 3.28Å; L613-I616 PolarHBondContact O-N 3Å; I616-L619 PolarHBondContact O-N 2.8Å; I616-S620 WeakPolarHBondContact O-CB 3.41Å; I616-S620 PolarHBondContact O-N 3.47Å
617	D	78.1	Confident	79.5	Confident	80 Å²	80	92.2 Å²	92.2	43%	0.428	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-42.6	174.9	-178.9	64.6	0	0	0	111.8	L613 R614 S620 K621	L613-D617 WeakPolarHBondContact O-CB 3.5Å; L613-D617 PolarHBondContact O-N 3.42Å; R614-D617 PolarHBondContact O-N 3.06Å; D617-S620 WeakPolarHBondContact O-CB 3.02Å; D617-S620 PolarHBondContact O-N 2.98Å; D617-K621 PolarHBondContact O-N 3.13Å; D617-K621 IonicContact OD1-NZ 3.36Å; D617-K621 IonicContact OD2-NZ 2.72Å; D617-K621 PolarHBondContact OD2-NZ 3.45Å
618	A	79.3	Confident	79.7	Confident	49 Å²	49	93.9 Å²	93.9	41%	0.405	49%	0.485	S	S	.	.	H	α-helix	trans	-63.1	-42.3	174.7	0	0	0	0	0	112	R614 F615 K621 Q622	R614-A618 WeakPolarHBondContact O-CB 3.49Å; R614-A618 PolarHBondContact O-N 2.87Å; F615-A618 PolarHBondContact O-N 3.47Å; A618-K621 PolarHBondContact O-N 2.99Å; A618-Q622 WeakPolarHBondContact O-CG 3.42Å; A618-Q622 PolarHBondContact O-N 2.92Å
619	L	78.2	Confident	79.9	Confident	78 Å²	78	93.7 Å²	93.7	41%	0.408	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-39.7	173.9	-79.8	173.6	0	0	0	111.8	F615 I616 Q622 L623	F615-L619 HydrophobicContact CD1-CD1 3.74Å; F615-L619 HydrophobicContact CD1-CG 4.47Å; F615-L619 HydrophobicContact CE1-CD1 3.28Å; F615-L619 HydrophobicContact CE1-CG 4.12Å; F615-L619 HydrophobicContact CE2-CD1 4.36Å; F615-L619 HydrophobicContact CE2-CG 4.35Å; F615-L619 HydrophobicContact CG-CD1 4.46Å; F615-L619 HydrophobicContact CZ-CD1 3.63Å; F615-L619 HydrophobicContact CZ-CD2 4.36Å; F615-L619 HydrophobicContact CZ-CG 4.04Å; F615-L619 WeakPolarHBondContact O-CB 3.46Å; F615-L619 WeakPolarHBondContact O-CG 3.41Å; F615-L619 PolarHBondContact O-N 3.19Å; I616-L619 PolarHBondContact O-N 2.8Å; L619-Q622 PolarHBondContact O-N 2.79Å; L619-L623 WeakPolarHBondContact O-CB 3.35Å; L619-L623 PolarHBondContact O-N 3.49Å
620	S	82.3	Confident	80.6	Confident	53 Å²	53	92.7 Å²	92.7	37%	0.371	49%	0.486	S	S	.	.	H	α-helix	trans	-62.2	-46.3	176.7	-170.5	0	0	0	0	111.4	I616 D617 Q622 L623 E624	I616-S620 WeakPolarHBondContact O-CB 3.41Å; I616-S620 PolarHBondContact O-N 3.47Å; D617-S620 WeakPolarHBondContact O-CB 3.02Å; D617-S620 PolarHBondContact O-N 2.98Å; S620-Q622 VanDerWaalsContact C-N 3.35Å; S620-Q622 PolarHBondContact O-N 2.92Å; S620-L623 WeakPolarHBondContact O-CB 3.46Å; S620-L623 PolarHBondContact O-N 2.97Å; S620-E624 WeakPolarHBondContact O-CG 3.23Å; S620-E624 PolarHBondContact O-N 3.32Å
621	K	83.7	Confident	81.6	Confident	116 Å²	116	99 Å²	99	50%	0.504	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-38.5	174.9	-75.1	171.5	178.3	152.5	0	112.8	D617 A618 S625	D617-K621 PolarHBondContact O-N 3.13Å; D617-K621 IonicContact OD1-NZ 3.36Å; D617-K621 IonicContact OD2-NZ 2.72Å; D617-K621 PolarHBondContact OD2-NZ 3.45Å; A618-K621 PolarHBondContact O-N 2.99Å; K621-S625 PolarHBondContact O-N 2.88Å; K621-S625 VanDerWaalsContact O-N 3.13Å; K621-S625 PolarHBondContact O-OG 3.13Å
622	Q	86	Confident	82.7	Confident	108 Å²	108	100.4 Å²	100.4	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-44	172.5	-77	-172.5	-12.9	0	0	111.1	A618 L619 S620 E624 S625 Y626	A618-Q622 WeakPolarHBondContact O-CG 3.42Å; A618-Q622 PolarHBondContact O-N 2.92Å; L619-Q622 PolarHBondContact O-N 2.79Å; S620-Q622 VanDerWaalsContact C-N 3.35Å; S620-Q622 PolarHBondContact O-N 2.92Å; Q622-E624 PolarHBondContact O-N 2.65Å; Q622-S625 WeakPolarHBondContact O-CB 3.26Å; Q622-S625 PolarHBondContact O-N 2.86Å; Q622-S625 VanDerWaalsContact O-N 3.13Å; Q622-Y626 HydrophobicContact CB-CD2 4.34Å; Q622-Y626 HydrophobicContact CB-CE2 4.16Å; Q622-Y626 WeakPolarHBondContact O-CD2 3.43Å; Q622-Y626 PolarHBondContact O-N 2.93Å
623	L	84.7	Confident	84.1	Confident	98 Å²	98	102 Å²	102	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-44.2	178.2	-175.4	66.5	0	0	0	111.7	L619 S620 S625 Y626 Q627	L619-L623 WeakPolarHBondContact O-CB 3.35Å; L619-L623 PolarHBondContact O-N 3.49Å; S620-L623 WeakPolarHBondContact O-CB 3.46Å; S620-L623 PolarHBondContact O-N 2.97Å; L623-S625 VanDerWaalsContact C-N 3.3Å; L623-S625 PolarHBondContact O-N 3.4Å; L623-Y626 PolarHBondContact O-N 2.86Å; L623-Q627 HydrophobicContact CG-CG 4.47Å; L623-Q627 WeakPolarHBondContact O-CB 3.2Å; L623-Q627 VanDerWaalsContact O-CG 3.29Å; L623-Q627 WeakPolarHBondContact O-CG 3.42Å; L623-Q627 PolarHBondContact O-N 2.8Å
624	E	85.8	Confident	85.4	Confident	122 Å²	122	101.3 Å²	101.3	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-58.8	-42	173.7	-74.6	178.5	-179.5	0	0	111.6	S620 Q622 Q627 L628	S620-E624 WeakPolarHBondContact O-CG 3.23Å; S620-E624 PolarHBondContact O-N 3.32Å; Q622-E624 PolarHBondContact O-N 2.65Å; E624-Q627 PolarHBondContact O-N 3.42Å; E624-L628 WeakPolarHBondContact O-CB 3.34Å; E624-L628 PolarHBondContact O-N 2.92Å
625	S	86.5	Confident	86.5	Confident	79 Å²	79	95.7 Å²	95.7	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-64.5	-42.5	176.6	-57	0	0	0	0	111.9	K621 Q622 L623 L628 A629	K621-S625 PolarHBondContact O-N 2.88Å; K621-S625 VanDerWaalsContact O-N 3.13Å; K621-S625 PolarHBondContact O-OG 3.13Å; Q622-S625 WeakPolarHBondContact O-CB 3.26Å; Q622-S625 PolarHBondContact O-N 2.86Å; Q622-S625 VanDerWaalsContact O-N 3.13Å; L623-S625 VanDerWaalsContact C-N 3.3Å; L623-S625 PolarHBondContact O-N 3.4Å; S625-L628 PolarHBondContact O-N 3.37Å; S625-A629 WeakPolarHBondContact O-CB 3.29Å; S625-A629 PolarHBondContact O-N 3.25Å
626	Y	89.2	Confident	87.6	Confident	153 Å²	153	92.6 Å²	92.6	60%	0.6	49%	0.488	S	S	*	.	H	α-helix	trans	-67.7	-39.4	175.8	-75.5	-65.3	0	0	0	112.3	Q622 L623 A629 T630	Q622-Y626 HydrophobicContact CB-CD2 4.34Å; Q622-Y626 HydrophobicContact CB-CE2 4.16Å; Q622-Y626 WeakPolarHBondContact O-CD2 3.43Å; Q622-Y626 PolarHBondContact O-N 2.93Å; L623-Y626 PolarHBondContact O-N 2.86Å; Y626-A629 PolarHBondContact O-N 2.69Å; Y626-T630 WeakPolarHBondContact O-CB 3.4Å; Y626-T630 PolarHBondContact O-N 3.24Å; Y626-T630 PolarHBondContact O-OG1 3.41Å
627	Q	89.8	Confident	88.5	Confident	100 Å²	100	92 Å²	92	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-62.1	-46.7	174.8	-76.7	177.1	-17.6	0	0	110.7	L623 E624 T630 W631	L623-Q627 HydrophobicContact CG-CG 4.47Å; L623-Q627 WeakPolarHBondContact O-CB 3.2Å; L623-Q627 VanDerWaalsContact O-CG 3.29Å; L623-Q627 WeakPolarHBondContact O-CG 3.42Å; L623-Q627 PolarHBondContact O-N 2.8Å; E624-Q627 PolarHBondContact O-N 3.42Å; Q627-T630 PolarHBondContact O-N 3.02Å; Q627-W631 PolarHBondContact O-N 2.96Å
628	L	91.3	Very high	89.3	Confident	120 Å²	120	93 Å²	93	63%	0.628	49%	0.493	S	S	*	.	H	α-helix	trans	-59	-48.7	175.2	-176.9	66.8	0	0	0	111.4	E624 S625 T630 W631 V632	E624-L628 WeakPolarHBondContact O-CB 3.34Å; E624-L628 PolarHBondContact O-N 2.92Å; S625-L628 PolarHBondContact O-N 3.37Å; L628-T630 VanDerWaalsContact C-N 3.29Å; L628-T630 PolarHBondContact O-N 2.86Å; L628-W631 PolarHBondContact O-N 2.79Å; L628-V632 WeakPolarHBondContact O-CG2 3.37Å; L628-V632 PolarHBondContact O-N 3.49Å
629	A	90.8	Very high	90.1	Very high	46 Å²	46	96.5 Å²	96.5	38%	0.38	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-39.9	177.2	0	0	0	0	0	112.2	S625 Y626 V632 L633	S625-A629 WeakPolarHBondContact O-CB 3.29Å; S625-A629 PolarHBondContact O-N 3.25Å; Y626-A629 PolarHBondContact O-N 2.69Å; A629-V632 PolarHBondContact O-N 2.89Å; A629-L633 WeakPolarHBondContact O-CB 3.31Å; A629-L633 WeakPolarHBondContact O-CG 3.42Å; A629-L633 PolarHBondContact O-N 2.91Å
630	T	92.2	Very high	90.8	Very high	75 Å²	75	98.9 Å²	98.9	46%	0.46	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-43.5	176.9	-55.3	0	0	0	0	111.2	Y626 Q627 L628 V632 L633 L634	Y626-T630 WeakPolarHBondContact O-CB 3.4Å; Y626-T630 PolarHBondContact O-N 3.24Å; Y626-T630 PolarHBondContact O-OG1 3.41Å; Q627-T630 PolarHBondContact O-N 3.02Å; L628-T630 VanDerWaalsContact C-N 3.29Å; L628-T630 PolarHBondContact O-N 2.86Å; T630-V632 PolarHBondContact O-N 3.32Å; T630-L633 PolarHBondContact O-N 2.72Å; T630-L634 HydrophobicContact CG2-CD1 4Å; T630-L634 WeakPolarHBondContact O-CB 3.37Å; T630-L634 WeakPolarHBondContact O-CG 3.39Å; T630-L634 PolarHBondContact O-N 2.92Å
631	W	94.2	Very high	91.4	Very high	179 Å²	179	98.4 Å²	98.4	68%	0.678	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-36.3	174.9	-77.5	117.5	0	0	0	112.8	Q627 L628 L634 S635	Q627-W631 PolarHBondContact O-N 2.96Å; L628-W631 PolarHBondContact O-N 2.79Å; W631-L634 HydrophobicContact CE3-CD1 4.41Å; W631-S635 WeakPolarHBondContact O-CB 3.33Å; W631-S635 PolarHBondContact O-N 3Å; W631-S635 PolarHBondContact O-OG 3.49Å
632	V	94.8	Very high	91.9	Very high	77 Å²	77	98 Å²	98	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-42.8	173.7	172.4	0	0	0	0	111.1	L628 A629 T630 S635 T636	L628-V632 WeakPolarHBondContact O-CG2 3.37Å; L628-V632 PolarHBondContact O-N 3.49Å; A629-V632 PolarHBondContact O-N 2.89Å; T630-V632 PolarHBondContact O-N 3.32Å; V632-S635 WeakPolarHBondContact CA-OG 3.33Å; V632-S635 PolarHBondContact O-N 3.34Å; V632-S635 PolarHBondContact O-OG 2.92Å; V632-T636 WeakPolarHBondContact O-CB 3.46Å; V632-T636 VanDerWaalsContact O-CG2 3.31Å; V632-T636 WeakPolarHBondContact O-CG2 3.47Å; V632-T636 PolarHBondContact O-N 3.5Å; V632-T636 PolarHBondContact O-OG1 3.23Å
633	L	94.7	Very high	92.2	Very high	113 Å²	113	96 Å²	96	59%	0.592	50%	0.501	S	S	*	.	H	α-helix	trans	-64.8	-43.3	175.5	-75.5	166.9	0	0	0	112	A629 T630 T636 T637	A629-L633 WeakPolarHBondContact O-CB 3.31Å; A629-L633 WeakPolarHBondContact O-CG 3.42Å; A629-L633 PolarHBondContact O-N 2.91Å; T630-L633 PolarHBondContact O-N 2.72Å; L633-T636 WeakPolarHBondContact CA-OG1 3.3Å; L633-T636 PolarHBondContact O-N 2.94Å; L633-T636 PolarHBondContact O-OG1 2.85Å; L633-T637 WeakPolarHBondContact O-CB 3.33Å; L633-T637 WeakPolarHBondContact O-CG2 3.42Å; L633-T637 PolarHBondContact O-N 2.94Å; L633-T637 PolarHBondContact O-OG1 2.93Å
634	L	94.7	Very high	92.6	Very high	81 Å²	81	96.9 Å²	96.9	42%	0.424	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-44.3	176.5	-77.8	166.1	0	0	0	111.7	T630 W631 T637 I638	T630-L634 HydrophobicContact CG2-CD1 4Å; T630-L634 WeakPolarHBondContact O-CB 3.37Å; T630-L634 WeakPolarHBondContact O-CG 3.39Å; T630-L634 PolarHBondContact O-N 2.92Å; W631-L634 HydrophobicContact CE3-CD1 4.41Å; L634-T637 WeakPolarHBondContact CA-OG1 3.18Å; L634-T637 PolarHBondContact O-OG1 2.91Å; L634-I638 WeakPolarHBondContact O-CB 3.36Å; L634-I638 WeakPolarHBondContact O-CD1 3.37Å; L634-I638 WeakPolarHBondContact O-CG1 3.39Å; L634-I638 PolarHBondContact O-N 3.46Å
635	S	94.2	Very high	92.9	Very high	66 Å²	66	96.2 Å²	96.2	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-40	178.5	59.8	0	0	0	0	112.6	W631 V632 F639	W631-S635 WeakPolarHBondContact O-CB 3.33Å; W631-S635 PolarHBondContact O-N 3Å; W631-S635 PolarHBondContact O-OG 3.49Å; V632-S635 WeakPolarHBondContact CA-OG 3.33Å; V632-S635 PolarHBondContact O-N 3.34Å; V632-S635 PolarHBondContact O-OG 2.92Å; S635-F639 VanDerWaalsContact O-CB 3.3Å; S635-F639 WeakPolarHBondContact O-CB 3.14Å; S635-F639 PolarHBondContact O-N 2.89Å
636	T	94.7	Very high	93.2	Very high	56 Å²	56	94.3 Å²	94.3	34%	0.344	50%	0.497	S	S	.	.	H	α-helix	trans	-67.3	-43.1	175.9	49.1	0	0	0	0	112.4	V632 L633 F639 F640	V632-T636 WeakPolarHBondContact O-CB 3.46Å; V632-T636 VanDerWaalsContact O-CG2 3.31Å; V632-T636 WeakPolarHBondContact O-CG2 3.47Å; V632-T636 PolarHBondContact O-N 3.5Å; V632-T636 PolarHBondContact O-OG1 3.23Å; L633-T636 WeakPolarHBondContact CA-OG1 3.3Å; L633-T636 PolarHBondContact O-N 2.94Å; L633-T636 PolarHBondContact O-OG1 2.85Å; T636-F639 WeakPolarHBondContact O-CB 3.46Å; T636-F639 PolarHBondContact O-N 3.25Å; T636-F640 WeakPolarHBondContact O-CD2 3.32Å; T636-F640 PolarHBondContact O-N 3.28Å
637	T	94.4	Very high	93.3	Very high	83 Å²	83	91.5 Å²	91.5	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-42	175.2	46.5	0	0	0	0	112.4	L633 L634 F640 A641	L633-T637 WeakPolarHBondContact O-CB 3.33Å; L633-T637 WeakPolarHBondContact O-CG2 3.42Å; L633-T637 PolarHBondContact O-N 2.94Å; L633-T637 PolarHBondContact O-OG1 2.93Å; L634-T637 WeakPolarHBondContact CA-OG1 3.18Å; L634-T637 PolarHBondContact O-OG1 2.91Å; T637-F640 PolarHBondContact O-N 2.89Å; T637-A641 VanDerWaalsContact O-CB 3.31Å; T637-A641 WeakPolarHBondContact O-CB 3.46Å; T637-A641 PolarHBondContact O-N 3.04Å
638	I	94.5	Very high	93.2	Very high	102 Å²	102	89.3 Å²	89.3	52%	0.523	49%	0.491	S	S	.	.	H	α-helix	trans	-61.6	-44.4	172.5	-69.6	166.4	0	0	0	110.6	L634 A641 I642	L634-I638 WeakPolarHBondContact O-CB 3.36Å; L634-I638 WeakPolarHBondContact O-CD1 3.37Å; L634-I638 WeakPolarHBondContact O-CG1 3.39Å; L634-I638 PolarHBondContact O-N 3.46Å; I638-A641 PolarHBondContact O-N 3.3Å; I638-I642 HydrophobicContact CG2-CD1 3.85Å; I638-I642 HydrophobicContact CG2-CG1 4.47Å; I638-I642 VanDerWaalsContact O-CG1 3.29Å; I638-I642 WeakPolarHBondContact O-CG1 3.47Å; I638-I642 PolarHBondContact O-N 3.2Å
639	F	94.6	Very high	93	Very high	122 Å²	122	87.2 Å²	87.2	54%	0.535	49%	0.486	S	S	.	.	H	α-helix	trans	-59.8	-47.6	177.8	177.9	-102.3	0	0	0	112.3	S635 T636 I642 I643	S635-F639 VanDerWaalsContact O-CB 3.3Å; S635-F639 WeakPolarHBondContact O-CB 3.14Å; S635-F639 PolarHBondContact O-N 2.89Å; T636-F639 WeakPolarHBondContact O-CB 3.46Å; T636-F639 PolarHBondContact O-N 3.25Å; F639-I642 PolarHBondContact O-N 2.89Å; F639-I643 HydrophobicContact CD1-CD1 3.86Å; F639-I643 HydrophobicContact CE1-CD1 3.32Å; F639-I643 HydrophobicContact CE1-CG1 4.43Å; F639-I643 HydrophobicContact CE2-CD1 4.3Å; F639-I643 HydrophobicContact CZ-CD1 3.58Å; F639-I643 HydrophobicContact CZ-CG1 4.45Å; F639-I643 WeakPolarHBondContact O-CG1 3.45Å; F639-I643 PolarHBondContact O-N 2.96Å
640	F	94.7	Very high	92.8	Very high	127 Å²	127	92.1 Å²	92.1	56%	0.557	50%	0.495	S	S	*	.	H	α-helix	trans	-66.2	-37	176.2	-78.4	-66.6	0	0	0	112.4	T636 T637 I642 I643 L644	T636-F640 WeakPolarHBondContact O-CD2 3.32Å; T636-F640 PolarHBondContact O-N 3.28Å; T637-F640 PolarHBondContact O-N 2.89Å; F640-I642 VanDerWaalsContact C-N 3.34Å; F640-I642 PolarHBondContact O-N 2.88Å; F640-I643 PolarHBondContact O-N 3.29Å; F640-L644 WeakPolarHBondContact O-CB 3.38Å; F640-L644 WeakPolarHBondContact O-CG 3.2Å; F640-L644 PolarHBondContact O-N 3.49Å
641	A	93.4	Very high	92.4	Very high	43 Å²	43	91.8 Å²	91.8	36%	0.355	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-42	174.2	0	0	0	0	0	111.6	T637 I638 L644 I645	T637-A641 VanDerWaalsContact O-CB 3.31Å; T637-A641 WeakPolarHBondContact O-CB 3.46Å; T637-A641 PolarHBondContact O-N 3.04Å; I638-A641 PolarHBondContact O-N 3.3Å; A641-L644 PolarHBondContact O-N 2.89Å; A641-I645 WeakPolarHBondContact O-CB 3.31Å; A641-I645 WeakPolarHBondContact O-CD1 3.38Å; A641-I645 WeakPolarHBondContact O-CG1 3.49Å; A641-I645 PolarHBondContact O-N 2.82Å
642	I	94.4	Very high	91.8	Very high	108 Å²	108	87.9 Å²	87.9	55%	0.554	49%	0.491	S	S	*	.	H	α-helix	trans	-62.6	-43.4	175.1	-67.9	165	0	0	0	111	I638 F639 F640 I645 G646	I638-I642 HydrophobicContact CG2-CD1 3.85Å; I638-I642 HydrophobicContact CG2-CG1 4.47Å; I638-I642 VanDerWaalsContact O-CG1 3.29Å; I638-I642 WeakPolarHBondContact O-CG1 3.47Å; I638-I642 PolarHBondContact O-N 3.2Å; F639-I642 PolarHBondContact O-N 2.89Å; F640-I642 VanDerWaalsContact C-N 3.34Å; F640-I642 PolarHBondContact O-N 2.88Å; I642-I645 PolarHBondContact O-N 3.5Å; I642-G646 PolarHBondContact O-N 3.34Å
643	I	93.6	Very high	91	Very high	67 Å²	67	92.5 Å²	92.5	34%	0.344	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-46.7	175.9	-69.2	173.6	0	0	0	110.9	F639 F640 I645 G646 L647	F639-I643 HydrophobicContact CD1-CD1 3.86Å; F639-I643 HydrophobicContact CE1-CD1 3.32Å; F639-I643 HydrophobicContact CE1-CG1 4.43Å; F639-I643 HydrophobicContact CE2-CD1 4.3Å; F639-I643 HydrophobicContact CZ-CD1 3.58Å; F639-I643 HydrophobicContact CZ-CG1 4.45Å; F639-I643 WeakPolarHBondContact O-CG1 3.45Å; F639-I643 PolarHBondContact O-N 2.96Å; F640-I643 PolarHBondContact O-N 3.29Å; I643-I645 PolarHBondContact O-N 2.86Å; I643-G646 PolarHBondContact O-N 3.46Å; I643-L647 HydrophobicContact CG2-CD1 3.85Å; I643-L647 HydrophobicContact CG2-CG 4.28Å; I643-L647 WeakPolarHBondContact O-CB 3.43Å; I643-L647 WeakPolarHBondContact O-CG 3.29Å; I643-L647 PolarHBondContact O-N 2.93Å
644	L	93.2	Very high	89.9	Confident	115 Å²	115	92 Å²	92	60%	0.602	49%	0.493	S	S	*	.	H	α-helix	trans	-63.4	-41.7	179.9	-73.5	171.1	0	0	0	111.9	F640 A641 L647 A648	F640-L644 WeakPolarHBondContact O-CB 3.38Å; F640-L644 WeakPolarHBondContact O-CG 3.2Å; F640-L644 PolarHBondContact O-N 3.49Å; A641-L644 PolarHBondContact O-N 2.89Å; L644-L647 PolarHBondContact O-N 3.43Å; L644-A648 WeakPolarHBondContact O-CB 3.34Å; L644-A648 PolarHBondContact O-N 3.15Å
645	I	92.2	Very high	88.4	Confident	108 Å²	108	93.5 Å²	93.5	55%	0.554	50%	0.502	S	S	*	.	H	α-helix	trans	-62.2	-45.1	173.2	-68.2	164.4	0	0	0	110	A641 I642 I643 L647 A648 C649	A641-I645 WeakPolarHBondContact O-CB 3.31Å; A641-I645 WeakPolarHBondContact O-CD1 3.38Å; A641-I645 WeakPolarHBondContact O-CG1 3.49Å; A641-I645 PolarHBondContact O-N 2.82Å; I642-I645 PolarHBondContact O-N 3.5Å; I643-I645 PolarHBondContact O-N 2.86Å; I645-L647 PolarHBondContact O-N 2.91Å; I645-A648 PolarHBondContact O-N 3.21Å; I645-C649 WeakPolarHBondContact O-CB 3.38Å; I645-C649 PolarHBondContact O-N 2.88Å; I645-C649 PolarHBondContact O-SG 2.88Å
646	G	91.5	Very high	86.8	Confident	39 Å²	39	92.8 Å²	92.8	40%	0.402	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-42.7	177.3	0	0	0	0	0	113.2	I642 I643 C649 Y650	I642-G646 PolarHBondContact O-N 3.34Å; I643-G646 PolarHBondContact O-N 3.46Å; G646-C649 PolarHBondContact O-N 3.3Å; G646-Y650 WeakPolarHBondContact O-CB 3.44Å; G646-Y650 PolarHBondContact O-N 3.47Å
647	L	91.1	Very high	85.1	Confident	94 Å²	94	94.9 Å²	94.9	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-66.9	-41.3	175.4	-73.8	171.8	0	0	0	111.8	I643 L644 I645 Y650 C651	I643-L647 HydrophobicContact CG2-CD1 3.85Å; I643-L647 HydrophobicContact CG2-CG 4.28Å; I643-L647 WeakPolarHBondContact O-CB 3.43Å; I643-L647 WeakPolarHBondContact O-CG 3.29Å; I643-L647 PolarHBondContact O-N 2.93Å; L644-L647 PolarHBondContact O-N 3.43Å; I645-L647 PolarHBondContact O-N 2.91Å; L647-Y650 PolarHBondContact O-N 3.5Å; L647-C651 PolarHBondContact O-N 3.17Å; L647-C651 PolarHBondContact O-SG 2.89Å
648	A	88.1	Confident	83.4	Confident	55 Å²	55	95.8 Å²	95.8	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-61.6	-47.1	175.2	0	0	0	0	0	111	L644 I645 Y650 C651 T652	L644-A648 WeakPolarHBondContact O-CB 3.34Å; L644-A648 PolarHBondContact O-N 3.15Å; I645-A648 PolarHBondContact O-N 3.21Å; A648-Y650 VanDerWaalsContact C-N 3.31Å; A648-Y650 PolarHBondContact O-N 3.41Å; A648-C651 PolarHBondContact O-N 2.98Å; A648-T652 WeakPolarHBondContact O-CG2 3.38Å; A648-T652 PolarHBondContact O-N 3.26Å; A648-T652 PolarHBondContact O-OG1 2.95Å
649	C	87.6	Confident	81.6	Confident	76 Å²	76	95 Å²	95	51%	0.514	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-38.6	174.6	-69.4	0	0	0	0	112.6	I645 G646 T652 R653	I645-C649 WeakPolarHBondContact O-CB 3.38Å; I645-C649 PolarHBondContact O-N 2.88Å; I645-C649 PolarHBondContact O-SG 2.88Å; G646-C649 PolarHBondContact O-N 3.3Å; C649-T652 WeakPolarHBondContact CA-OG1 3.46Å; C649-T652 PolarHBondContact O-OG1 3.29Å; C649-R653 WeakPolarHBondContact O-CB 3.41Å; C649-R653 PolarHBondContact O-N 3.27Å; C649-R653 VanDerWaalsContact O-N 3.12Å
650	Y	86.4	Confident	79.7	Confident	148 Å²	148	96.5 Å²	96.5	58%	0.58	53%	0.525	S	S	*	.	H	α-helix	trans	-65.6	-44.8	175.9	-179.7	-98.9	0	0	0	112	G646 L647 A648 R653 K654	G646-Y650 WeakPolarHBondContact O-CB 3.44Å; G646-Y650 PolarHBondContact O-N 3.47Å; L647-Y650 PolarHBondContact O-N 3.5Å; A648-Y650 VanDerWaalsContact C-N 3.31Å; A648-Y650 PolarHBondContact O-N 3.41Å; Y650-R653 PolarHBondContact O-N 2.88Å; Y650-K654 HydrophobicContact CE1-CD 4.43Å; Y650-K654 WeakPolarHBondContact O-CB 3.43Å; Y650-K654 PolarHBondContact O-N 3.43Å
651	C	83.9	Confident	77.3	Confident	68 Å²	68	97.7 Å²	97.7	46%	0.459	55%	0.549	S	S	.	.	H	α-helix	trans	-62.8	-45.4	177.3	-63.4	0	0	0	0	111.2	L647 A648 R653 K654 D655	L647-C651 PolarHBondContact O-N 3.17Å; L647-C651 PolarHBondContact O-SG 2.89Å; A648-C651 PolarHBondContact O-N 2.98Å; C651-R653 PolarHBondContact O-N 3.29Å; C651-K654 PolarHBondContact O-N 2.9Å; C651-D655 PolarHBondContact O-N 3.27Å
652	T	81.4	Confident	76.5	Confident	97 Å²	97	100.4 Å²	100.4	60%	0.595	56%	0.559	S	S	*	*	H	α-helix	trans	-63.7	-28.8	177.8	53	0	0	0	0	113.5	A648 C649 S656	A648-T652 WeakPolarHBondContact O-CG2 3.38Å; A648-T652 PolarHBondContact O-N 3.26Å; A648-T652 PolarHBondContact O-OG1 2.95Å; C649-T652 WeakPolarHBondContact CA-OG1 3.46Å; C649-T652 PolarHBondContact O-OG1 3.29Å; T652-S656 PolarHBondContact O-N 3.15Å
653	R	78	Confident	75.6	Confident	175 Å²	175	100 Å²	100	66%	0.66	56%	0.559	S	S	*	*	H	α-helix	trans	-81.7	-34.6	176.7	-175.2	175	169.7	169.6	-0.9	112.1	C649 Y650 C651 S656 D657	C649-R653 WeakPolarHBondContact O-CB 3.41Å; C649-R653 PolarHBondContact O-N 3.27Å; C649-R653 VanDerWaalsContact O-N 3.12Å; Y650-R653 PolarHBondContact O-N 2.88Å; C651-R653 PolarHBondContact O-N 3.29Å; R653-S656 WeakPolarHBondContact CA-OG 3.48Å; R653-S656 PolarHBondContact O-N 3.33Å; R653-S656 PolarHBondContact O-OG 3.31Å; R653-D657 PolarHBondContact O-N 3.12Å; R653-D657 VanDerWaalsContact O-N 3.07Å
654	K	71.2	Confident	74.6	Confident	101 Å²	101	101.8 Å²	101.8	44%	0.439	57%	0.571	S	S	.	*	H	α-helix	trans	-67	-40.1	174.3	-171.7	173.7	178	177	0	111.3	Y650 C651 S656 D657 D658	Y650-K654 HydrophobicContact CE1-CD 4.43Å; Y650-K654 WeakPolarHBondContact O-CB 3.43Å; Y650-K654 PolarHBondContact O-N 3.43Å; C651-K654 PolarHBondContact O-N 2.9Å; K654-S656 PolarHBondContact O-N 3.36Å; K654-D657 PolarHBondContact O-N 2.95Å; K654-D657 VanDerWaalsContact O-N 3.15Å; K654-D658 PolarHBondContact O-N 3.44Å
655	D	62.9	Low	73.5	Confident	113 Å²	113	101.1 Å²	101.1	60%	0.604	57%	0.569	S	S	*	*	H	α-helix	trans	-63.3	-30	174.6	-69.4	-19.2	0	0	0	112.2	C651 S659	C651-D655 PolarHBondContact O-N 3.27Å; D655-S659 PolarHBondContact O-OG 3.37Å
656	S	60.1	Low	72.3	Confident	52 Å²	52	100.6 Å²	100.6	36%	0.364	57%	0.57	S	S	.	*	H	α-helix	trans	-73.6	-38.5	172.3	58.8	0	0	0	0	112.9	T652 R653 K654 S659	T652-S656 PolarHBondContact O-N 3.15Å; R653-S656 WeakPolarHBondContact CA-OG 3.48Å; R653-S656 PolarHBondContact O-N 3.33Å; R653-S656 PolarHBondContact O-OG 3.31Å; K654-S656 PolarHBondContact O-N 3.36Å; S656-S659 PolarHBondContact O-N 3.07Å; S656-S659 PolarHBondContact O-OG 2.71Å
657	D	59.4	Low	71.1	Confident	99 Å²	99	104.7 Å²	104.7	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-71.9	-33.9	-179.8	-70.2	-14.5	0	0	0	112	R653 K654 S659	R653-D657 PolarHBondContact O-N 3.12Å; R653-D657 VanDerWaalsContact O-N 3.07Å; K654-D657 PolarHBondContact O-N 2.95Å; K654-D657 VanDerWaalsContact O-N 3.15Å; D657-S659 VanDerWaalsContact C-N 3.27Å; D657-S659 PolarHBondContact O-N 2.82Å
658	D	58.8	Low	69.6	Low	102 Å²	102	105.5 Å²	105.5	55%	0.545	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-11	176.5	-72.2	-22.2	0	0	0	112.8	K654	K654-D658 PolarHBondContact O-N 3.44Å
659	S	57	Low	68.2	Low	85 Å²	85	109.4 Å²	109.4	59%	0.594	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-9.9	175.7	66.1	0	0	0	0	114.7	D655 S656 D657	D655-S659 PolarHBondContact O-OG 3.37Å; S656-S659 PolarHBondContact O-N 3.07Å; S656-S659 PolarHBondContact O-OG 2.71Å; D657-S659 VanDerWaalsContact C-N 3.27Å; D657-S659 PolarHBondContact O-N 2.82Å
660	D	54.6	Low	66.6	Low	154 Å²	154	112.2 Å²	112.2	82%	0.824	61%	0.605	S	S	*	*			trans	-108.9	13.3	-179.2	-85.7	-20.2	0	0	0	113.6
661	S	45.1	Very low	64.8	Low	152 Å²	152	108.9 Å²	108.9	100%	1.063	61%	0.607	S	S	*	*			trans	-116.3	0	169	67.7	0	0	0	0	111.6

Retrieved 661 of 661 residues in 280.1 ms (Link to these results)

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