A0A096LWH9_POEFO Loading...

Arginyl aminopeptidase like 1

AlphaFold DB , UniProt , Accession A0A096LWH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 713 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	30.1	Very low	25.2	Very low	240 Å²	240	141.4 Å²	141.4	100%	1.182	81%	0.809	S	S	*	*				0	108.8	0	-56	-140.1	-69.5	0	0	105.8
2	A	26.8	Very low	25	Very low	93 Å²	93	137.8 Å²	137.8	77%	0.769	80%	0.797	S	S	*	*				97.1	73.2	60.4	0	0	0	0	0	111.4
3	E	23.4	Very low	24.9	Very low	171 Å²	171	134.3 Å²	134.3	80%	0.799	78%	0.783	S	S	*	*				37.7	137	122.8	-92.8	-173	162.2	0	0	123.2
4	L	25.2	Very low	24.7	Very low	139 Å²	139	133.4 Å²	133.4	73%	0.728	79%	0.786	S	S	*	*			trans	71.6	148.8	146.7	-55.7	164.4	0	0	0	116.8
5	T	25	Very low	24.8	Very low	102 Å²	102	140.3 Å²	140.3	63%	0.626	79%	0.793	S	S	*	*			cis	-161.3	151.2	-2	5.6	0	0	0	0	113.6
6	Q	23.4	Very low	24.7	Very low	173 Å²	173	144.9 Å²	144.9	81%	0.808	80%	0.802	S	S	*	*			trans	45.9	138.9	142	-72.2	169	11.4	0	0	123.8
7	T	21.3	Very low	24.5	Very low	141 Å²	141	141.7 Å²	141.7	87%	0.865	80%	0.799	S	S	*	*				-167.1	153.7	112.5	15.9	0	0	0	0	114.2
8	S	22.1	Very low	24.6	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	80%	0.8	S	S	*	*			trans	-151	157.6	168.9	-50.5	0	0	0	0	107.4
9	P	32.4	Very low	24.9	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	80%	0.801	S	S	*	*				-142.4	-161.1	70.2	37.2	-14.4	0	0	0	111.7
10	S	23.1	Very low	25.2	Very low	94 Å²	94	141.2 Å²	141.2	66%	0.657	80%	0.8	S	S	*	*			cis	-162.2	140.8	23.3	51.2	0	0	0	0	111.4
11	L	24.4	Very low	25.2	Very low	165 Å²	165	140.3 Å²	140.3	86%	0.864	80%	0.804	S	S	*	*				65.2	154.9	100.9	-60.1	170.4	0	0	0	117
12	C	22.5	Very low	25	Very low	99 Å²	99	132.4 Å²	132.4	67%	0.669	78%	0.783	S	S	*	*			cis	173.6	153.4	-17.7	169.1	0	0	0	0	107.7
13	C	23.7	Very low	24.9	Very low	92 Å²	92	132 Å²	132	62%	0.622	79%	0.788	S	S	*	*			cis	-158	178.4	-14	-69.4	0	0	0	0	107.8
14	C	22.9	Very low	25	Very low	121 Å²	121	135.5 Å²	135.5	82%	0.818	79%	0.794	S	S	*	*				173.3	136.1	97.4	-84.8	0	0	0	0	109.2
15	R	25.8	Very low	25	Very low	237 Å²	237	135.3 Å²	135.3	89%	0.894	80%	0.802	S	S	*	*				80.9	108.3	52	-88.5	-165	171.1	-165.4	-0.6	116.8
16	K	22.6	Very low	25.4	Very low	215 Å²	215	135.7 Å²	135.7	94%	0.935	82%	0.816	S	S	*	*				-166.2	163.9	119.9	-106.1	177.4	-177.4	-178.5	0	111
17	A	22	Very low	25.6	Very low	90 Å²	90	131 Å²	131	74%	0.744	81%	0.814	S	S	*	*			trans	-161.4	177.3	-173.5	0	0	0	0	0	112.5
18	L	26.7	Very low	26	Very low	159 Å²	159	133.1 Å²	133.1	83%	0.832	81%	0.814	S	S	*	*			trans	78.2	155.4	169	-62.4	173.6	0	0	0	116.7
19	P	30.1	Very low	26.4	Very low	125 Å²	125	133.8 Å²	133.8	81%	0.812	82%	0.816	S	S	*	*			cis	-124.5	-176.5	14.5	42.9	-28.9	0	0	0	117
20	V	29.9	Very low	26.3	Very low	130 Å²	130	137.2 Å²	137.2	79%	0.788	82%	0.818	S	S	*	*			trans	-99.3	147.9	-178.8	173.2	0	0	0	0	111.3
21	S	25.5	Very low	26.6	Very low	124 Å²	124	138 Å²	138	87%	0.867	82%	0.82	S	S	*	*			trans	-139.7	143.5	150	65.6	0	0	0	0	110.6
22	G	26	Very low	26.8	Very low	73 Å²	73	136 Å²	136	75%	0.753	82%	0.818	S	S	*	*			trans	163.8	106.8	-173.6	0	0	0	0	0	109.9
23	G	24.7	Very low	27.2	Very low	84 Å²	84	137 Å²	137	87%	0.866	83%	0.825	S	S	*	*			trans	-74.2	147.6	-170.4	0	0	0	0	0	113.8
24	R	25.8	Very low	27.5	Very low	246 Å²	246	137.2 Å²	137.2	93%	0.928	83%	0.834	S	S	*	*			trans	-76.5	132.5	169.3	-68.1	176.7	173.8	177.3	-3.9	110.6
25	C	25.1	Very low	28	Very low	134 Å²	134	134.2 Å²	134.2	91%	0.905	82%	0.823	S	S	*	*			trans	-117.7	133.9	136.9	-85.3	0	0	0	0	107.3
26	A	33.7	Very low	28.2	Very low	110 Å²	110	128.9 Å²	128.9	91%	0.909	82%	0.82	S	S	*	*			trans	-89.1	130.5	178.6	0	0	0	0	0	109.9
27	G	28	Very low	28.4	Very low	74 Å²	74	128.8 Å²	128.8	76%	0.763	81%	0.813	S	S	*	*			trans	-121.1	130.6	162	0	0	0	0	0	108.1
28	E	29.2	Very low	28.6	Very low	186 Å²	186	131 Å²	131	87%	0.869	82%	0.821	S	S	*	*			trans	-68.6	145.1	176.8	-62.7	179.4	134.4	0	0	110.3	K30	E28-K30 PolarHBondContact O-N 2.7Å; E28-K30 VanDerWaalsContact O-N 3.11Å
29	P	29.3	Very low	28.9	Very low	128 Å²	128	127.4 Å²	127.4	83%	0.831	82%	0.822	S	S	*	*			trans	-64.4	115.3	171.3	27.6	-32.7	0	0	0	108.8
30	K	31.5	Very low	28.8	Very low	196 Å²	196	125 Å²	125	85%	0.852	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-55.1	134	171	-84.2	-178.1	173.7	177.7	0	108.9	E28	E28-K30 PolarHBondContact O-N 2.7Å; E28-K30 VanDerWaalsContact O-N 3.11Å
31	P	29.6	Very low	28.9	Very low	109 Å²	109	123.5 Å²	123.5	71%	0.708	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-61.3	154.4	170.2	28.2	-34.7	0	0	0	109.9	S33	P31-S33 PolarHBondContact O-N 2.76Å
32	P	29	Very low	29.9	Very low	125 Å²	125	125.2 Å²	125.2	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-54.9	137.7	177	23.8	-34	0	0	0	110.3	A34	P32-A34 PolarHBondContact O-N 3.21Å; P32-A34 VanDerWaalsContact O-N 3.1Å
33	S	30.1	Very low	30.8	Very low	118 Å²	118	127.6 Å²	127.6	83%	0.825	81%	0.805	S	S	*	*			trans	-60.8	114.8	179.7	47.5	0	0	0	0	109.9	P31 G35	P31-S33 PolarHBondContact O-N 2.76Å; S33-G35 PolarHBondContact O-N 2.96Å
34	A	30.1	Very low	32.5	Very low	97 Å²	97	128.1 Å²	128.1	80%	0.802	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-55.6	137.7	173.3	0	0	0	0	0	110	P32	P32-A34 PolarHBondContact O-N 3.21Å; P32-A34 VanDerWaalsContact O-N 3.1Å
35	G	33.8	Very low	34.6	Very low	58 Å²	58	119.2 Å²	119.2	60%	0.598	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-56	159	-177.4	0	0	0	0	0	113.4	S33 R37	S33-G35 PolarHBondContact O-N 2.96Å; G35-R37 PolarHBondContact O-N 3.24Å; G35-R37 VanDerWaalsContact O-N 3.15Å
36	P	29.5	Very low	37.4	Very low	126 Å²	126	117 Å²	117	82%	0.818	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-56.3	121.2	-172.6	22.8	-33.7	0	0	0	111.3
37	R	26.1	Very low	40.1	Very low	212 Å²	212	112 Å²	112	80%	0.8	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-64.7	135.8	175.1	-69.6	-178.8	176.4	177.8	-1.5	109.6	G35 G39 A40	G35-R37 PolarHBondContact O-N 3.24Å; G35-R37 VanDerWaalsContact O-N 3.15Å; R37-G39 PolarHBondContact O-N 3.44Å; R37-A40 PolarHBondContact O-N 3.29Å; R37-A40 VanDerWaalsContact O-N 3.15Å
38	P	27.2	Very low	43.1	Very low	138 Å²	138	110.2 Å²	110.2	90%	0.896	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	125.7	167.6	-23.6	33.7	0	0	0	109.9
39	G	32.3	Very low	46.1	Very low	83 Å²	83	101.4 Å²	101.4	86%	0.856	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	91	14.3	-177.3	0	0	0	0	0	116.2	R37 A41	R37-G39 PolarHBondContact O-N 3.44Å; G39-A41 PolarHBondContact O-N 3.14Å
40	A	28.6	Very low	49.2	Very low	74 Å²	74	95.9 Å²	95.9	61%	0.612	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-57.8	125.1	160.2	0	0	0	0	0	109.7	R37 R42	R37-A40 PolarHBondContact O-N 3.29Å; R37-A40 VanDerWaalsContact O-N 3.15Å; A40-R42 PolarHBondContact O-N 3.13Å
41	A	31.6	Very low	52.3	Low	99 Å²	99	87.7 Å²	87.7	82%	0.818	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-64.5	125.1	179.8	0	0	0	0	0	110.1	G39 C43	G39-A41 PolarHBondContact O-N 3.14Å; A41-C43 PolarHBondContact O-N 2.76Å
42	R	46.6	Very low	55.5	Low	160 Å²	160	83 Å²	83	60%	0.604	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-55.7	135.9	175.4	-84.8	-172.9	164	175.1	-1.7	110.2	A40 D468	A40-R42 PolarHBondContact O-N 3.13Å; R42-D468 IonicContact CZ-OD1 2.77Å; R42-D468 IonicContact CZ-OD2 2.73Å; R42-D468 IonicContact NH1-OD1 2.74Å; R42-D468 PolarHBondContact NH1-OD1 2.95Å; R42-D468 IonicContact NH1-OD2 3.57Å; R42-D468 PolarHBondContact NH1-OD2 2.87Å; R42-D468 IonicContact NH2-OD1 3.23Å; R42-D468 PolarHBondContact NH2-OD1 3.24Å; R42-D468 IonicContact NH2-OD2 3.55Å
43	C	46.1	Very low	58.6	Low	122 Å²	122	79 Å²	79	82%	0.824	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.4	130.8	163.2	-74.4	0	0	0	0	108.6	A41 L45	A41-C43 PolarHBondContact O-N 2.76Å; C43-L45 PolarHBondContact O-N 2.85Å
44	P	59.4	Low	61.7	Low	96 Å²	96	74.5 Å²	74.5	62%	0.623	48%	0.477	S	S	*	.			trans	-68	110	-175.8	-21.9	34.1	0	0	0	111	V46 R55	P44-V46 WeakPolarHBondContact O-CG2 3.4Å; P44-V46 PolarHBondContact O-N 3.28Å; P44-R55 PolarHBondContact O-NH1 2.72Å; P44-R55 PolarHBondContact O-NH2 3.17Å
45	L	70.8	Confident	64.7	Low	59 Å²	59	74.3 Å²	74.3	31%	0.309	46%	0.456	S	S	.	.			trans	-30	88.9	172.2	-176.2	91.1	0	0	0	116.1	C43 R55 A200 A354 T355 V465	C43-L45 PolarHBondContact O-N 2.85Å; L45-R55 VanDerWaalsContact C-NH2 3.25Å; L45-R55 VanDerWaalsContact N-NH2 3.14Å; L45-R55 PolarHBondContact O-NE 2.66Å; L45-R55 VanDerWaalsContact O-NE 3.13Å; L45-R55 PolarHBondContact O-NH1 2.64Å; L45-R55 PolarHBondContact O-NH2 3.49Å; L45-A200 HydrophobicContact CD2-CB 3.83Å; L45-A354 HydrophobicContact CD1-CB 3.55Å; L45-A354 HydrophobicContact CD2-CB 3.85Å; L45-A354 HydrophobicContact CG-CB 4.3Å; L45-T355 HydrophobicContact CD1-CG2 3.94Å; L45-T355 HydrophobicContact CG-CG2 4.14Å; L45-V465 HydrophobicContact CD1-CG1 3.41Å; L45-V465 VanDerWaalsContact CD1-CG1 3.41Å
46	V	83.8	Confident	67.5	Low	86 Å²	86	72.3 Å²	72.3	52%	0.521	43%	0.432	S	S	.	.			trans	-87.1	120.7	175.2	-178.8	0	0	0	0	108.3	P44 V48 T355	P44-V46 WeakPolarHBondContact O-CG2 3.4Å; P44-V46 PolarHBondContact O-N 3.28Å; V46-V48 HydrophobicContact CG1-CG1 4.06Å; V46-T355 WeakPolarHBondContact O-CG2 3.19Å
47	D	89.8	Confident	70.6	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.027	40%	0.395	C	S	.	.			trans	-87.4	108.3	159.2	-175.3	-5.2	0	0	0	108.3	A49 S50 T198 P199 T355	D47-A49 PolarHBondContact O-N 2.9Å; D47-A49 WeakPolarHBondContact OD1-CB 3.27Å; D47-A49 PolarHBondContact OD1-N 3.36Å; D47-S50 PolarHBondContact O-N 3.36Å; D47-T198 WeakPolarHBondContact CB-OG1 3.38Å; D47-T198 WeakPolarHBondContact OD2-CA 3.42Å; D47-T198 WeakPolarHBondContact OD2-CB 3.46Å; D47-T198 PolarHBondContact OD2-OG1 3Å; D47-P199 WeakPolarHBondContact OD2-CD 3.44Å; D47-T355 HydrophobicContact CB-CG2 4.16Å
48	V	91.1	Very high	73.9	Confident	38 Å²	38	61 Å²	61	23%	0.23	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.1	-178.8	-70.5	0	0	0	0	113.9	V46 I416 S418	V46-V48 HydrophobicContact CG1-CG1 4.06Å; V48-I416 HydrophobicContact CG2-CB 3.6Å; V48-I416 HydrophobicContact CG2-CG2 3.51Å; V48-I416 WeakPolarHBondContact CG2-O 3.49Å; V48-S418 VanDerWaalsContact O-CB 3.28Å; V48-S418 WeakPolarHBondContact O-CB 3.38Å
49	A	92.3	Very high	77.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.9	177.3	0	0	0	0	0	113.7	D47 F128 Y131 V187 R190 P422	D47-A49 PolarHBondContact O-N 2.9Å; D47-A49 WeakPolarHBondContact OD1-CB 3.27Å; D47-A49 PolarHBondContact OD1-N 3.36Å; A49-F128 WeakPolarHBondContact O-CE1 3.45Å; A49-Y131 WeakPolarHBondContact CA-OH 3.25Å; A49-Y131 HydrophobicContact CB-CE2 4.46Å; A49-V187 HydrophobicContact CB-CG1 4.13Å; A49-R190 VanDerWaalsContact O-CZ 3.31Å; A49-R190 PolarHBondContact O-NH1 2.74Å; A49-R190 PolarHBondContact O-NH2 3.42Å; A49-P422 HydrophobicContact CB-CG 3.46Å; A49-P422 VanDerWaalsContact CB-CG 3.46Å
50	S	94.9	Very high	80.2	Confident	13 Å²	13	57.9 Å²	57.9	9%	0.091	32%	0.32	C	S	.	.			trans	-110	125.2	177.8	139.5	0	0	0	0	110.5	D47 S52 D96	D47-S50 PolarHBondContact O-N 3.36Å; S50-S52 PolarHBondContact O-N 3.38Å; S50-S52 PolarHBondContact OG-N 3.19Å; S50-S52 VanDerWaalsContact OG-N 3.13Å; S50-S52 PolarHBondContact OG-OG 2.55Å; S50-D96 WeakPolarHBondContact CA-OD1 3.24Å; S50-D96 PolarHBondContact OG-OD2 2.94Å
51	A	95.3	Very high	83.6	Confident	24 Å²	24	56.5 Å²	56.5	20%	0.198	30%	0.3	C	S	.	.			trans	-75.9	-11.2	168.4	0	0	0	0	0	112.6	V94 D96 F128	A51-V94 WeakPolarHBondContact O-CG1 3.33Å; A51-D96 PolarHBondContact N-OD1 2.62Å; A51-F128 HydrophobicContact CB-CB 4.2Å; A51-F128 HydrophobicContact CB-CD1 4Å; A51-F128 HydrophobicContact CB-CD2 3.63Å; A51-F128 HydrophobicContact CB-CE1 4.27Å; A51-F128 HydrophobicContact CB-CE2 3.92Å; A51-F128 HydrophobicContact CB-CG 3.67Å; A51-F128 HydrophobicContact CB-CZ 4.23Å
52	S	96.3	Very high	86.7	Confident	11 Å²	11	52 Å²	52	8%	0.077	26%	0.262	C	S	.	.			trans	-73.5	150.6	-169	78.4	0	0	0	0	114.5	S50 F54 V94 D96	S50-S52 PolarHBondContact O-N 3.38Å; S50-S52 PolarHBondContact OG-N 3.19Å; S50-S52 VanDerWaalsContact OG-N 3.13Å; S50-S52 PolarHBondContact OG-OG 2.55Å; S52-F54 VanDerWaalsContact C-N 3.26Å; S52-F54 PolarHBondContact O-N 3.48Å; S52-V94 WeakPolarHBondContact CA-O 3.37Å; S52-V94 VanDerWaalsContact CB-O 3.23Å; S52-V94 WeakPolarHBondContact CB-O 3.26Å; S52-D96 VanDerWaalsContact CB-OD2 3.27Å; S52-D96 WeakPolarHBondContact CB-OD2 3.26Å; S52-D96 PolarHBondContact OG-OD2 3.02Å
53	N	95.3	Very high	89.2	Confident	40 Å²	40	46.5 Å²	46.5	21%	0.214	24%	0.243	C	C	.	.			trans	-93.4	39	178.4	75	-13.6	0	0	0	112.7	R55 S56 F57 A92 V94	N53-R55 PolarHBondContact O-N 3.05Å; N53-S56 WeakPolarHBondContact O-CB 3.42Å; N53-S56 PolarHBondContact O-N 2.61Å; N53-F57 WeakPolarHBondContact OD1-CE2 3.14Å; N53-A92 PolarHBondContact ND2-O 2.9Å; N53-V94 HydrophobicContact CB-CB 4.04Å; N53-V94 HydrophobicContact CB-CG2 4.22Å; N53-V94 PolarHBondContact N-O 3.41Å; N53-V94 VanDerWaalsContact N-O 3.14Å; N53-V94 PolarHBondContact OD1-N 2.9Å; N53-V94 PolarHBondContact OD1-O 3.07Å
54	F	94.4	Very high	91.7	Very high	23 Å²	23	40.7 Å²	40.7	10%	0.101	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-48.7	-32.4	-173	67.9	-87.4	0	0	0	115	S52 S56 F57 F196 T198 A200 V201	S52-F54 VanDerWaalsContact C-N 3.26Å; S52-F54 PolarHBondContact O-N 3.48Å; F54-S56 PolarHBondContact O-N 3.33Å; F54-S56 VanDerWaalsContact O-N 3.14Å; F54-F57 CarbonylContact O-C 3.49Å; F54-F57 PolarHBondContact O-N 3.04Å; F54-F57 VanDerWaalsContact O-N 3.08Å; F54-F196 HydrophobicContact CB-CB 4.23Å; F54-F196 HydrophobicContact CB-CD1 3.71Å; F54-F196 HydrophobicContact CB-CD2 4.4Å; F54-F196 HydrophobicContact CB-CE1 4.1Å; F54-F196 HydrophobicContact CB-CG 3.88Å; F54-T198 HydrophobicContact CD1-CG2 3.94Å; F54-T198 HydrophobicContact CE1-CG2 4.16Å; F54-T198 HydrophobicContact CG-CG2 4.13Å; F54-A200 HydrophobicContact CD2-CB 4.39Å; F54-A200 HydrophobicContact CE2-CB 3.64Å; F54-A200 HydrophobicContact CZ-CB 3.94Å; F54-V201 HydrophobicContact CB-CG2 3.59Å; F54-V201 HydrophobicContact CD2-CG2 3.6Å; F54-V201 HydrophobicContact CE2-CG2 4.48Å; F54-V201 HydrophobicContact CG-CG2 3.82Å
55	R	92.9	Very high	93.6	Very high	94 Å²	94	36.6 Å²	36.6	36%	0.355	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-61.7	-19.3	176.7	-67.3	150.4	172.4	-109.2	-79.8	114.9	P44 L45 N53 Q87	P44-R55 PolarHBondContact O-NH1 2.72Å; P44-R55 PolarHBondContact O-NH2 3.17Å; L45-R55 VanDerWaalsContact C-NH2 3.25Å; L45-R55 VanDerWaalsContact N-NH2 3.14Å; L45-R55 PolarHBondContact O-NE 2.66Å; L45-R55 VanDerWaalsContact O-NE 3.13Å; L45-R55 PolarHBondContact O-NH1 2.64Å; L45-R55 PolarHBondContact O-NH2 3.49Å; N53-R55 PolarHBondContact O-N 3.05Å; R55-Q87 PolarHBondContact O-NE2 2.82Å
56	S	93.3	Very high	94.9	Very high	15 Å²	15	33.8 Å²	33.8	11%	0.105	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-84.6	-14.7	178	-63.1	0	0	0	0	112.8	N53 F54 P85 V86	N53-S56 WeakPolarHBondContact O-CB 3.42Å; N53-S56 PolarHBondContact O-N 2.61Å; F54-S56 PolarHBondContact O-N 3.33Å; F54-S56 VanDerWaalsContact O-N 3.14Å; S56-P85 WeakPolarHBondContact O-CA 3.42Å; S56-V86 PolarHBondContact O-N 3.35Å
57	F	94.2	Very high	95.6	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.039	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.7	-173.4	-58.4	-87.5	0	0	0	112.9	N53 F54 L59 L83 V84 P85 V90 L93 L139 F196	N53-F57 WeakPolarHBondContact OD1-CE2 3.14Å; F54-F57 CarbonylContact O-C 3.49Å; F54-F57 PolarHBondContact O-N 3.04Å; F54-F57 VanDerWaalsContact O-N 3.08Å; F57-L59 PolarHBondContact O-N 3.04Å; F57-L83 HydrophobicContact CB-CD2 4.03Å; F57-L83 HydrophobicContact CD1-CB 4.29Å; F57-V84 CarbonylContact C-O 3.52Å; F57-V84 WeakPolarHBondContact CA-O 3.38Å; F57-P85 HydrophobicContact CD1-CB 4.37Å; F57-P85 HydrophobicContact CD1-CG 4.21Å; F57-P85 HydrophobicContact CE1-CB 4.33Å; F57-P85 HydrophobicContact CE1-CG 4.08Å; F57-V90 HydrophobicContact CE1-CG1 4.38Å; F57-V90 HydrophobicContact CE2-CG1 3.82Å; F57-V90 HydrophobicContact CZ-CB 4.49Å; F57-V90 HydrophobicContact CZ-CG1 3.48Å; F57-V90 VanDerWaalsContact CZ-CG1 3.48Å; F57-L93 HydrophobicContact CD2-CD1 3.7Å; F57-L93 HydrophobicContact CE2-CB 4.17Å; F57-L93 HydrophobicContact CE2-CD1 3.66Å; F57-L93 HydrophobicContact CG-CD1 4.27Å; F57-L93 HydrophobicContact CZ-CB 4.09Å; F57-L93 HydrophobicContact CZ-CD1 4.16Å; F57-L139 HydrophobicContact CE1-CD1 4.06Å; F57-L139 HydrophobicContact CZ-CD1 3.59Å; F57-F196 HydrophobicContact CB-CE2 4.32Å; F57-F196 HydrophobicContact CB-CZ 4.01Å; F57-F196 HydrophobicContact CD2-CZ 4.19Å; F57-F196 HydrophobicContact CG-CZ 4.41Å
58	R	95.3	Very high	96	Very high	93 Å²	93	37.2 Å²	37.2	35%	0.351	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	104.1	165	-166.7	-175.3	-56.5	112.7	-2.6	108.5	R60 V84 V86 E147	R58-R60 PolarHBondContact O-N 3.06Å; R58-V84 HydrophobicContact CB-CB 4.33Å; R58-V84 PolarHBondContact N-O 3.16Å; R58-V84 PolarHBondContact O-N 3.34Å; R58-V86 HydrophobicContact CB-CG2 4Å; R58-E147 IonicContact CZ-OE1 3.69Å; R58-E147 IonicContact CZ-OE2 3.23Å; R58-E147 IonicContact NH1-OE1 2.74Å; R58-E147 PolarHBondContact NH1-OE1 2.94Å; R58-E147 IonicContact NH1-OE2 3.72Å; R58-E147 PolarHBondContact NH1-OE2 2.92Å; R58-E147 IonicContact NH2-OE1 3.98Å; R58-E147 PolarHBondContact NH2-OE1 2.83Å; R58-E147 IonicContact NH2-OE2 2.97Å
59	L	97	Very high	96.2	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.099	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126.8	168.3	-176.3	61	0	0	0	108.9	F57 H61 F62 L81 L83 F196 V201 S203	F57-L59 PolarHBondContact O-N 3.04Å; L59-H61 WeakPolarHBondContact CD1-O 3.43Å; L59-F62 HydrophobicContact CD2-CD1 4.41Å; L59-L81 HydrophobicContact CD1-CB 4.29Å; L59-L81 HydrophobicContact CD1-CD2 3.96Å; L59-L83 HydrophobicContact CB-CD2 4.19Å; L59-L83 HydrophobicContact CD1-CD2 3.74Å; L59-L83 HydrophobicContact CD1-CG 4.36Å; L59-F196 HydrophobicContact CB-CD2 4.15Å; L59-F196 HydrophobicContact CB-CE2 4.11Å; L59-F196 HydrophobicContact CD2-CD2 4.08Å; L59-V201 HydrophobicContact CB-CG1 4.36Å; L59-V201 HydrophobicContact CD2-CG1 4.33Å; L59-S203 WeakPolarHBondContact CD2-OG 3.08Å
60	R	96.1	Very high	96.4	Very high	136 Å²	136	39.4 Å²	39.4	51%	0.513	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-49.6	179.1	-68.5	-65.9	-165.8	168.6	1.9	111.4	R58 D82 V84 T204	R58-R60 PolarHBondContact O-N 3.06Å; R60-D82 HydrophobicContact CB-CB 4.22Å; R60-D82 PolarHBondContact N-O 2.81Å; R60-V84 HydrophobicContact CG-CG2 3.9Å; R60-T204 PolarHBondContact O-OG1 3.38Å; R60-T204 VanDerWaalsContact O-OG1 3.08Å
61	H	98.4	Very high	96.3	Very high	44 Å²	44	43.6 Å²	43.6	20%	0.204	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159.6	-176.6	-166.9	76.8	0	0	0	109.7	L59 D82 T204 Y205 S206	L59-H61 WeakPolarHBondContact CD1-O 3.43Å; H61-D82 HydrophobicContact CB-CB 4.17Å; H61-D82 WeakPolarHBondContact O-CB 3.13Å; H61-D82 PolarHBondContact O-N 2.86Å; H61-T204 VanDerWaalsContact CA-O 3.26Å; H61-T204 WeakPolarHBondContact CA-O 3.26Å; H61-T204 PolarHBondContact ND1-O 2.85Å; H61-T204 PolarHBondContact ND1-OG1 3.08Å; H61-Y205 VanDerWaalsContact CE1-CA 3.48Å; H61-Y205 WeakPolarHBondContact CE1-CA 3.15Å; H61-S206 PolarHBondContact NE2-N 3.27Å; H61-S206 PolarHBondContact NE2-OG 3.05Å
62	F	98.6	Very high	96.3	Very high	4 Å²	4	45 Å²	45	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.6	160.3	71	-90.6	0	0	0	112.9	L59 L64 L79 V80 L81 F193 S203 T204 Y205 S206 V246	L59-F62 HydrophobicContact CD2-CD1 4.41Å; F62-L64 HydrophobicContact CD2-CG 4.09Å; F62-L64 HydrophobicContact CE2-CD1 3.9Å; F62-L64 HydrophobicContact CE2-CG 3.93Å; F62-L79 HydrophobicContact CB-CD1 4.01Å; F62-L79 HydrophobicContact CD2-CD1 3.75Å; F62-L79 HydrophobicContact CG-CD1 4.24Å; F62-V80 CarbonylContact C-O 3.58Å; F62-V80 WeakPolarHBondContact CA-O 3.44Å; F62-V80 VanDerWaalsContact CB-O 3.3Å; F62-V80 WeakPolarHBondContact CB-O 3.31Å; F62-L81 HydrophobicContact CB-CD2 3.8Å; F62-F193 HydrophobicContact CD2-CE2 4.21Å; F62-F193 AromaticContact CE2-CE2 3.76Å; F62-F193 HydrophobicContact CE2-CE2 3.76Å; F62-F193 AromaticContact CE2-CZ 3.87Å; F62-F193 HydrophobicContact CE2-CZ 3.87Å; F62-F193 AromaticContact CZ-CE2 3.94Å; F62-F193 HydrophobicContact CZ-CE2 3.94Å; F62-F193 AromaticContact CZ-CZ 3.81Å; F62-F193 HydrophobicContact CZ-CZ 3.81Å; F62-S203 WeakPolarHBondContact CD1-OG 3.27Å; F62-S203 WeakPolarHBondContact CE1-OG 3.34Å; F62-T204 PolarHBondContact N-O 3.12Å; F62-Y205 VanDerWaalsContact CE1-CB 3.41Å; F62-Y205 HydrophobicContact CE1-CG 4.21Å; F62-Y205 HydrophobicContact CE2-CD2 4.26Å; F62-Y205 HydrophobicContact CE2-CG 4.09Å; F62-Y205 HydrophobicContact CZ-CD1 4.18Å; F62-Y205 HydrophobicContact CZ-CD2 4.27Å; F62-Y205 AromaticContact CZ-CG 3.71Å; F62-Y205 HydrophobicContact CZ-CG 3.71Å; F62-Y205 CarbonylContact O-C 3.51Å; F62-Y205 VanDerWaalsContact O-CA 3.27Å; F62-Y205 WeakPolarHBondContact O-CA 3.08Å; F62-S206 PolarHBondContact O-N 3.02Å; F62-V246 HydrophobicContact CE1-CG2 4.46Å; F62-V246 HydrophobicContact CE2-CG1 4.47Å; F62-V246 HydrophobicContact CZ-CG1 4.18Å; F62-V246 HydrophobicContact CZ-CG2 3.76Å
63	H	98.8	Very high	96.3	Very high	45 Å²	45	46.6 Å²	46.6	21%	0.208	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.4	175.8	-169	76.5	0	0	0	111.4	L79 V80 S206 S208	H63-L79 CarbonylContact O-C 3.56Å; H63-L79 VanDerWaalsContact O-CA 3.31Å; H63-L79 WeakPolarHBondContact O-CA 3.07Å; H63-V80 HydrophobicContact CB-CB 4.29Å; H63-V80 PolarHBondContact N-O 2.7Å; H63-V80 PolarHBondContact O-N 2.69Å; H63-S206 CarbonylContact C-O 3.47Å; H63-S206 VanDerWaalsContact CA-O 3.3Å; H63-S206 WeakPolarHBondContact CA-O 3.48Å; H63-S206 PolarHBondContact ND1-OG 2.83Å; H63-S208 PolarHBondContact CE1-OG 2.89Å; H63-S208 PolarHBondContact NE2-OG 3.47Å
64	L	98.7	Very high	96.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	102.7	171.5	-71.2	174.2	0	0	0	110.7	F62 L66 L79 F192 F193 S206 A207 S208 V246	F62-L64 HydrophobicContact CD2-CG 4.09Å; F62-L64 HydrophobicContact CE2-CD1 3.9Å; F62-L64 HydrophobicContact CE2-CG 3.93Å; L64-L66 HydrophobicContact CB-CD1 4.23Å; L64-L66 HydrophobicContact CB-CG 4.34Å; L64-L79 HydrophobicContact CD2-CB 4.17Å; L64-L79 HydrophobicContact CD2-CD1 3.72Å; L64-L79 HydrophobicContact CG-CD1 4.41Å; L64-F192 HydrophobicContact CD1-CE1 4.37Å; L64-F192 HydrophobicContact CD1-CZ 4.37Å; L64-F193 HydrophobicContact CD1-CD1 4.21Å; L64-F193 HydrophobicContact CD1-CE1 4.37Å; L64-F193 HydrophobicContact CD1-CG 4.48Å; L64-F193 HydrophobicContact CD2-CB 3.91Å; L64-F193 HydrophobicContact CD2-CD2 4.29Å; L64-F193 HydrophobicContact CD2-CG 4.02Å; L64-S206 PolarHBondContact N-O 3.37Å; L64-A207 HydrophobicContact CB-CB 4.09Å; L64-A207 CarbonylContact O-C 3.16Å; L64-A207 WeakPolarHBondContact O-CA 3.38Å; L64-A207 WeakPolarHBondContact O-CB 3.29Å; L64-S208 PolarHBondContact O-N 2.84Å; L64-V246 HydrophobicContact CD1-CG1 4.36Å
65	D	98.6	Very high	96.6	Very high	11 Å²	11	46 Å²	46	6%	0.059	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.6	167.4	-175.3	-60	0	0	0	108.3	G77 W78 S208 R210	D65-G77 CarbonylContact O-C 3.21Å; D65-G77 VanDerWaalsContact O-CA 3.3Å; D65-G77 WeakPolarHBondContact O-CA 3.5Å; D65-W78 HydrophobicContact CB-CD2 3.94Å; D65-W78 VanDerWaalsContact CB-CE2 3.42Å; D65-W78 HydrophobicContact CB-CG 4.25Å; D65-W78 HydrophobicContact CB-CH2 4.43Å; D65-W78 HydrophobicContact CB-CZ2 3.71Å; D65-W78 PolarHBondContact N-O 2.95Å; D65-W78 PolarHBondContact O-N 2.82Å; D65-W78 WeakPolarHBondContact OD2-CZ2 3.36Å; D65-S208 WeakPolarHBondContact CA-O 3.27Å; D65-R210 IonicContact OD1-CZ 2.96Å; D65-R210 VanDerWaalsContact OD1-CZ 3.26Å; D65-R210 IonicContact OD1-NH1 3.28Å; D65-R210 PolarHBondContact OD1-NH1 2.8Å; D65-R210 IonicContact OD1-NH2 3.72Å; D65-R210 PolarHBondContact OD1-NH2 2.87Å; D65-R210 IonicContact OD2-CZ 3.04Å; D65-R210 IonicContact OD2-NH1 2.66Å; D65-R210 IonicContact OD2-NH2 3.64Å; D65-R210 PolarHBondContact OD2-NH2 2.87Å
66	L	98.4	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.6	-170.7	-63.7	175	0	0	0	112.2	L64 Y156 F192 S208 I209 R210	L64-L66 HydrophobicContact CB-CD1 4.23Å; L64-L66 HydrophobicContact CB-CG 4.34Å; L66-Y156 HydrophobicContact CD2-CE1 4.42Å; L66-F192 HydrophobicContact CD1-CE2 3.74Å; L66-F192 HydrophobicContact CD1-CZ 4.03Å; L66-S208 PolarHBondContact N-O 2.84Å; L66-I209 HydrophobicContact CB-CD1 3.93Å; L66-I209 HydrophobicContact CD1-CD1 4.18Å; L66-I209 HydrophobicContact CG-CD1 4.42Å; L66-I209 CarbonylContact O-C 3.59Å; L66-I209 WeakPolarHBondContact O-CA 3.23Å; L66-R210 PolarHBondContact O-N 2.97Å
67	R	98.1	Very high	97	Very high	159 Å²	159	43.3 Å²	43.3	60%	0.6	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120	122.5	170.5	-179.4	-178	179.9	176.3	-0.2	109.6	M75 S76 R210	R67-M75 WeakPolarHBondContact O-CA 3.2Å; R67-S76 PolarHBondContact N-O 3.06Å; R67-S76 PolarHBondContact O-N 2.71Å; R67-R210 HydrophobicContact CB-CB 4.18Å; R67-R210 HydrophobicContact CG-CB 4.19Å
68	L	97.5	Very high	97.2	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.9	175.2	-81.4	57.5	0	0	0	110.3	F70 M75 W166 V180 I209 R210 V211 L248 A250	L68-F70 HydrophobicContact CB-CE2 4.28Å; L68-F70 HydrophobicContact CD2-CE2 4.34Å; L68-F70 HydrophobicContact CD2-CZ 4.37Å; L68-M75 HydrophobicContact CD1-CE 4.5Å; L68-M75 HydrophobicContact CD1-CG 4.06Å; L68-M75 HydrophobicContact CD1-SD 3.76Å; L68-M75 HydrophobicContact CD2-CE 4.46Å; L68-M75 HydrophobicContact CG-CE 4.2Å; L68-M75 HydrophobicContact CG-CG 4.06Å; L68-M75 HydrophobicContact CG-SD 4.03Å; L68-W166 HydrophobicContact CB-CH2 4.25Å; L68-W166 HydrophobicContact CG-CH2 4.2Å; L68-V180 HydrophobicContact CD2-CG1 3.78Å; L68-I209 HydrophobicContact CD1-CG2 3.6Å; L68-R210 PolarHBondContact N-O 2.92Å; L68-V211 HydrophobicContact CB-CG1 4.29Å; L68-V211 HydrophobicContact CD2-CG1 4.12Å; L68-L248 HydrophobicContact CD2-CD2 4.22Å; L68-A250 HydrophobicContact CD2-CB 3.48Å; L68-A250 VanDerWaalsContact CD2-CB 3.48Å
69	N	96.4	Very high	97.4	Very high	53 Å²	53	42.9 Å²	42.9	28%	0.283	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	88.2	174.7	177.9	11.8	0	0	0	110.3	A71 A72 K73 E74	N69-A71 PolarHBondContact O-N 3.44Å; N69-A71 VanDerWaalsContact O-N 3.13Å; N69-A71 PolarHBondContact OD1-N 3.15Å; N69-A72 WeakPolarHBondContact ND2-CB 3.3Å; N69-A72 PolarHBondContact O-N 2.86Å; N69-A72 VanDerWaalsContact O-N 3.14Å; N69-K73 PolarHBondContact O-N 3.02Å; N69-E74 HydrophobicContact CB-CG 3.7Å; N69-E74 PolarHBondContact N-O 2.9Å; N69-E74 PolarHBondContact ND2-OE1 2.73Å; N69-E74 PolarHBondContact O-N 3.44Å
70	F	95.4	Very high	97.5	Very high	32 Å²	32	43.1 Å²	43.1	14%	0.14	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.1	178.5	-69.7	-93.2	0	0	0	114.1	L68 W166 P178 V180 P212 V215 A250	L68-F70 HydrophobicContact CB-CE2 4.28Å; L68-F70 HydrophobicContact CD2-CE2 4.34Å; L68-F70 HydrophobicContact CD2-CZ 4.37Å; F70-W166 HydrophobicContact CB-CZ3 4.31Å; F70-W166 HydrophobicContact CD1-CE3 4Å; F70-W166 AromaticContact CD1-CZ3 3.64Å; F70-W166 HydrophobicContact CD1-CZ3 3.64Å; F70-W166 HydrophobicContact CD2-CZ3 4.36Å; F70-W166 HydrophobicContact CE1-CE3 4.43Å; F70-W166 AromaticContact CE1-CZ3 3.99Å; F70-W166 HydrophobicContact CE1-CZ3 3.99Å; F70-W166 AromaticContact CG-CZ3 3.85Å; F70-W166 HydrophobicContact CG-CZ3 3.85Å; F70-W166 HydrophobicContact CZ-CZ3 4.48Å; F70-P178 HydrophobicContact CB-CG 4.35Å; F70-P178 HydrophobicContact CD1-CB 3.95Å; F70-P178 HydrophobicContact CD1-CG 3.89Å; F70-P178 HydrophobicContact CG-CG 4.34Å; F70-V180 HydrophobicContact CE1-CB 4.31Å; F70-V180 HydrophobicContact CE1-CG1 3.89Å; F70-V180 HydrophobicContact CZ-CG1 3.96Å; F70-P212 HydrophobicContact CD2-CG 4.25Å; F70-V215 HydrophobicContact CE2-CG1 3.95Å; F70-V215 HydrophobicContact CE2-CG2 3.96Å; F70-V215 HydrophobicContact CZ-CG1 3.91Å; F70-V215 HydrophobicContact CZ-CG2 4.36Å; F70-A250 HydrophobicContact CZ-CB 4.09Å
71	A	93.9	Very high	97.6	Very high	100 Å²	100	36.8 Å²	36.8	83%	0.826	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-25.3	-179	0	0	0	0	0	113.3	N69	N69-A71 PolarHBondContact O-N 3.44Å; N69-A71 VanDerWaalsContact O-N 3.13Å; N69-A71 PolarHBondContact OD1-N 3.15Å
72	A	95.3	Very high	97.5	Very high	53 Å²	53	36.4 Å²	36.4	44%	0.438	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.9	175.1	0	0	0	0	0	113.3	N69 E74	N69-A72 WeakPolarHBondContact ND2-CB 3.3Å; N69-A72 PolarHBondContact O-N 2.86Å; N69-A72 VanDerWaalsContact O-N 3.14Å; A72-E74 VanDerWaalsContact C-N 3.32Å; A72-E74 HydrophobicContact CB-CG 3.98Å; A72-E74 PolarHBondContact O-N 2.92Å
73	K	96.3	Very high	97.4	Very high	45 Å²	45	36.2 Å²	36.2	20%	0.196	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	49	-175.7	-63.1	-173	171.4	-158.4	0	112.4	N69 T159 W166 D168	N69-K73 PolarHBondContact O-N 3.02Å; K73-T159 WeakPolarHBondContact O-CA 3.49Å; K73-W166 VanDerWaalsContact C-CE2 3.4Å; K73-W166 HydrophobicContact CB-CB 4.01Å; K73-W166 HydrophobicContact CB-CD2 3.91Å; K73-W166 HydrophobicContact CB-CE3 4.48Å; K73-W166 HydrophobicContact CB-CG 3.69Å; K73-W166 HydrophobicContact CD-CB 3.64Å; K73-W166 HydrophobicContact CD-CG 4.28Å; K73-W166 HydrophobicContact CG-CB 3.8Å; K73-W166 HydrophobicContact CG-CD2 4.22Å; K73-W166 HydrophobicContact CG-CE3 4.44Å; K73-W166 HydrophobicContact CG-CG 3.97Å; K73-W166 PolarHBondContact NZ-O 3.37Å; K73-W166 PolarHBondContact O-NE1 2.86Å; K73-W166 VanDerWaalsContact O-NE1 3.15Å; K73-D168 WeakPolarHBondContact CE-OD1 3.3Å; K73-D168 IonicContact NZ-OD1 3.57Å; K73-D168 PolarHBondContact NZ-OD1 2.76Å; K73-D168 IonicContact NZ-OD2 3.13Å; K73-D168 PolarHBondContact NZ-OD2 2.91Å
74	E	96.9	Very high	97.2	Very high	52 Å²	52	34.3 Å²	34.3	24%	0.243	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.1	-178.3	69.5	-179	172.4	0	0	112.6	N69 A72 T157 T158 T159 W166	N69-E74 HydrophobicContact CB-CG 3.7Å; N69-E74 PolarHBondContact N-O 2.9Å; N69-E74 PolarHBondContact ND2-OE1 2.73Å; N69-E74 PolarHBondContact O-N 3.44Å; A72-E74 VanDerWaalsContact C-N 3.32Å; A72-E74 HydrophobicContact CB-CG 3.98Å; A72-E74 PolarHBondContact O-N 2.92Å; E74-T157 HydrophobicContact CB-CG2 3.96Å; E74-T158 CarbonylContact C-O 3.54Å; E74-T158 WeakPolarHBondContact CA-O 3.46Å; E74-T159 HydrophobicContact CB-CG2 4.09Å; E74-W166 VanDerWaalsContact C-CZ2 3.41Å; E74-W166 WeakPolarHBondContact O-CH2 3.46Å; E74-W166 VanDerWaalsContact O-CZ2 3.29Å; E74-W166 WeakPolarHBondContact O-CZ2 3.34Å
75	M	98.1	Very high	96.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.1	160.5	-47.7	-167.5	-169.5	0	0	108.6	R67 L68 T157 T158 I164 W166 V180 F192 L248	R67-M75 WeakPolarHBondContact O-CA 3.2Å; L68-M75 HydrophobicContact CD1-CE 4.5Å; L68-M75 HydrophobicContact CD1-CG 4.06Å; L68-M75 HydrophobicContact CD1-SD 3.76Å; L68-M75 HydrophobicContact CD2-CE 4.46Å; L68-M75 HydrophobicContact CG-CE 4.2Å; L68-M75 HydrophobicContact CG-CG 4.06Å; L68-M75 HydrophobicContact CG-SD 4.03Å; M75-T157 CarbonylContact O-C 3.59Å; M75-T157 WeakPolarHBondContact O-CA 3.35Å; M75-T158 HydrophobicContact CB-CG2 3.93Å; M75-T158 HydrophobicContact CG-CG2 4.44Å; M75-T158 PolarHBondContact N-O 2.96Å; M75-T158 PolarHBondContact O-N 2.83Å; M75-I164 HydrophobicContact CE-CG2 3.89Å; M75-W166 HydrophobicContact CE-CH2 4.31Å; M75-W166 HydrophobicContact CE-CZ2 3.89Å; M75-W166 HydrophobicContact CG-CH2 4.19Å; M75-W166 HydrophobicContact CG-CZ2 3.65Å; M75-V180 HydrophobicContact CE-CG1 4.1Å; M75-V180 HydrophobicContact CE-CG2 3.66Å; M75-F192 HydrophobicContact SD-CD2 4.48Å; M75-F192 HydrophobicContact SD-CE2 3.83Å; M75-L248 HydrophobicContact CE-CD2 4.16Å
76	S	98.2	Very high	96.5	Very high	33 Å²	33	36.9 Å²	36.9	23%	0.231	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.5	-179.5	53.5	0	0	0	0	111.7	R67 T157	R67-S76 PolarHBondContact N-O 3.06Å; R67-S76 PolarHBondContact O-N 2.71Å; S76-T157 WeakPolarHBondContact CB-OG1 3.39Å
77	G	97.8	Very high	95.8	Very high	18 Å²	18	41.1 Å²	41.1	19%	0.186	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-138.8	-177.6	0	0	0	0	0	113.1	D65 R155 Y156	D65-G77 CarbonylContact O-C 3.21Å; D65-G77 VanDerWaalsContact O-CA 3.3Å; D65-G77 WeakPolarHBondContact O-CA 3.5Å; G77-R155 WeakPolarHBondContact O-CA 3.22Å; G77-Y156 PolarHBondContact N-O 2.88Å; G77-Y156 PolarHBondContact O-N 2.88Å
78	W	98	Very high	95	Very high	94 Å²	94	38.7 Å²	38.7	36%	0.356	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.7	179.9	62.8	81.3	0	0	0	114.5	D65 T153 V154 R155	D65-W78 HydrophobicContact CB-CD2 3.94Å; D65-W78 VanDerWaalsContact CB-CE2 3.42Å; D65-W78 HydrophobicContact CB-CG 4.25Å; D65-W78 HydrophobicContact CB-CH2 4.43Å; D65-W78 HydrophobicContact CB-CZ2 3.71Å; D65-W78 PolarHBondContact N-O 2.95Å; D65-W78 PolarHBondContact O-N 2.82Å; D65-W78 WeakPolarHBondContact OD2-CZ2 3.36Å; W78-T153 HydrophobicContact CB-CG2 4.25Å; W78-V154 CarbonylContact C-O 3.56Å; W78-V154 VanDerWaalsContact CA-O 3.23Å; W78-V154 WeakPolarHBondContact CA-O 3.35Å; W78-V154 WeakPolarHBondContact CB-O 3.49Å; W78-R155 HydrophobicContact CB-CG 4.04Å
79	L	98.7	Very high	94.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.7	167.3	168.6	70.6	0	0	0	108.7	F62 H63 L64 L81 T153 V154 Y156 F193 P194	F62-L79 HydrophobicContact CB-CD1 4.01Å; F62-L79 HydrophobicContact CD2-CD1 3.75Å; F62-L79 HydrophobicContact CG-CD1 4.24Å; H63-L79 CarbonylContact O-C 3.56Å; H63-L79 VanDerWaalsContact O-CA 3.31Å; H63-L79 WeakPolarHBondContact O-CA 3.07Å; L64-L79 HydrophobicContact CD2-CB 4.17Å; L64-L79 HydrophobicContact CD2-CD1 3.72Å; L64-L79 HydrophobicContact CG-CD1 4.41Å; L79-L81 HydrophobicContact CD1-CD2 3.96Å; L79-L81 HydrophobicContact CD1-CG 4.39Å; L79-L81 HydrophobicContact CD2-CD1 4.18Å; L79-L81 HydrophobicContact CD2-CD2 3.98Å; L79-L81 HydrophobicContact CD2-CG 3.95Å; L79-L81 HydrophobicContact CG-CD2 4.1Å; L79-L81 HydrophobicContact CG-CG 4.03Å; L79-T153 CarbonylContact O-C 3.39Å; L79-T153 VanDerWaalsContact O-CA 3.29Å; L79-T153 WeakPolarHBondContact O-CA 3.17Å; L79-V154 HydrophobicContact CB-CB 4.46Å; L79-V154 PolarHBondContact N-O 2.83Å; L79-V154 PolarHBondContact O-N 2.91Å; L79-Y156 HydrophobicContact CB-CE1 3.98Å; L79-F193 HydrophobicContact CD1-CD2 4.05Å; L79-F193 HydrophobicContact CD2-CD2 4.16Å; L79-P194 WeakPolarHBondContact CD2-O 3.44Å
80	V	98.5	Very high	93.8	Very high	24 Å²	24	40.8 Å²	40.8	15%	0.145	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127	166	-170.3	0	0	0	0	108.9	F62 H63 Q151 V152 T153	F62-V80 CarbonylContact C-O 3.58Å; F62-V80 WeakPolarHBondContact CA-O 3.44Å; F62-V80 VanDerWaalsContact CB-O 3.3Å; F62-V80 WeakPolarHBondContact CB-O 3.31Å; H63-V80 HydrophobicContact CB-CB 4.29Å; H63-V80 PolarHBondContact N-O 2.7Å; H63-V80 PolarHBondContact O-N 2.69Å; V80-Q151 HydrophobicContact CG1-CB 4.3Å; V80-V152 CarbonylContact C-O 3.47Å; V80-V152 WeakPolarHBondContact CA-O 3.5Å; V80-T153 HydrophobicContact CG2-CG2 4.34Å
81	L	98.4	Very high	93.5	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.8	178	-63.8	172.2	0	0	0	110.5	L59 F62 L79 L83 L95 Q151 V152	L59-L81 HydrophobicContact CD1-CB 4.29Å; L59-L81 HydrophobicContact CD1-CD2 3.96Å; F62-L81 HydrophobicContact CB-CD2 3.8Å; L79-L81 HydrophobicContact CD1-CD2 3.96Å; L79-L81 HydrophobicContact CD1-CG 4.39Å; L79-L81 HydrophobicContact CD2-CD1 4.18Å; L79-L81 HydrophobicContact CD2-CD2 3.98Å; L79-L81 HydrophobicContact CD2-CG 3.95Å; L79-L81 HydrophobicContact CG-CD2 4.1Å; L79-L81 HydrophobicContact CG-CG 4.03Å; L81-L83 HydrophobicContact CB-CD1 3.87Å; L81-L83 HydrophobicContact CB-CD2 4.5Å; L81-L83 HydrophobicContact CB-CG 3.9Å; L81-L83 HydrophobicContact CD1-CD1 4.3Å; L81-L83 PolarHBondContact O-N 2.81Å; L81-L95 HydrophobicContact CD1-CD1 3.67Å; L81-L95 HydrophobicContact CD1-CD2 4.11Å; L81-Q151 WeakPolarHBondContact O-CA 3.11Å; L81-V152 HydrophobicContact CB-CB 4.5Å; L81-V152 PolarHBondContact N-O 2.9Å; L81-V152 PolarHBondContact O-N 3.3Å
82	D	97.6	Very high	93.5	Very high	35 Å²	35	39.8 Å²	39.8	19%	0.187	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	97.9	172.7	-77.5	-9.3	0	0	0	109.6	R60 H61 L149 Q151	R60-D82 HydrophobicContact CB-CB 4.22Å; R60-D82 PolarHBondContact N-O 2.81Å; H61-D82 HydrophobicContact CB-CB 4.17Å; H61-D82 WeakPolarHBondContact O-CB 3.13Å; H61-D82 PolarHBondContact O-N 2.86Å; D82-L149 HydrophobicContact CB-CD1 4Å; D82-Q151 WeakPolarHBondContact OD1-CG 3.44Å; D82-Q151 PolarHBondContact OD1-NE2 3.27Å
83	L	95.9	Very high	93.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.2	-169.7	-67.1	165.5	0	0	0	111.8	F57 L59 L81 L93 I150 V152 F196	F57-L83 HydrophobicContact CB-CD2 4.03Å; F57-L83 HydrophobicContact CD1-CB 4.29Å; L59-L83 HydrophobicContact CB-CD2 4.19Å; L59-L83 HydrophobicContact CD1-CD2 3.74Å; L59-L83 HydrophobicContact CD1-CG 4.36Å; L81-L83 HydrophobicContact CB-CD1 3.87Å; L81-L83 HydrophobicContact CB-CD2 4.5Å; L81-L83 HydrophobicContact CB-CG 3.9Å; L81-L83 HydrophobicContact CD1-CD1 4.3Å; L81-L83 PolarHBondContact O-N 2.81Å; L83-L93 HydrophobicContact CD1-CD1 4.08Å; L83-L93 HydrophobicContact CD1-CD2 3.5Å; L83-L93 VanDerWaalsContact CD1-CD2 3.5Å; L83-L93 HydrophobicContact CD1-CG 4.44Å; L83-I150 HydrophobicContact CB-CG1 3.95Å; L83-I150 PolarHBondContact N-O 3.45Å; L83-I150 PolarHBondContact O-N 2.89Å; L83-V152 HydrophobicContact CD1-CB 4.3Å; L83-V152 HydrophobicContact CD1-CG2 3.99Å; L83-F196 HydrophobicContact CD2-CE2 3.63Å; L83-F196 HydrophobicContact CD2-CZ 4.01Å
84	V	94.2	Very high	93.6	Very high	6 Å²	6	36 Å²	36	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.8	175.4	178.8	0	0	0	0	109.3	F57 R58 R60 V86 E147 L149	F57-V84 CarbonylContact C-O 3.52Å; F57-V84 WeakPolarHBondContact CA-O 3.38Å; R58-V84 HydrophobicContact CB-CB 4.33Å; R58-V84 PolarHBondContact N-O 3.16Å; R58-V84 PolarHBondContact O-N 3.34Å; R60-V84 HydrophobicContact CG-CG2 3.9Å; V84-V86 PolarHBondContact O-N 2.81Å; V84-E147 VanDerWaalsContact CG1-CA 3.45Å; V84-E147 HydrophobicContact CG1-CB 4.47Å; V84-E147 WeakPolarHBondContact CG1-OE2 3.27Å; V84-L149 HydrophobicContact CG2-CD1 4.08Å
85	P	92.1	Very high	93.7	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.3	177.6	-21.3	33.9	0	0	0	111.3	S56 F57 L144 P146 E147 Q148	S56-P85 WeakPolarHBondContact O-CA 3.42Å; F57-P85 HydrophobicContact CD1-CB 4.37Å; F57-P85 HydrophobicContact CD1-CG 4.21Å; F57-P85 HydrophobicContact CE1-CB 4.33Å; F57-P85 HydrophobicContact CE1-CG 4.08Å; P85-L144 HydrophobicContact CG-CB 4.34Å; P85-L144 HydrophobicContact CG-CD1 4.29Å; P85-P146 WeakPolarHBondContact O-CA 3.32Å; P85-E147 PolarHBondContact O-N 2.93Å; P85-Q148 WeakPolarHBondContact CD-O 3.46Å
86	V	90.3	Very high	93.7	Very high	62 Å²	62	33.6 Å²	33.6	38%	0.376	22%	0.215	S	C	.	.			trans	-93.3	-29.1	-179.2	-174.8	0	0	0	0	111.1	S56 R58 V84	S56-V86 PolarHBondContact O-N 3.35Å; R58-V86 HydrophobicContact CB-CG2 4Å; V84-V86 PolarHBondContact O-N 2.81Å
87	Q	83.6	Confident	93.7	Very high	90 Å²	90	32.1 Å²	32.1	42%	0.421	21%	0.205	S	C	.	.	S	Bend	trans	-108	143	-177	-60.3	177.2	13.8	0	0	110.9	R55 V90	R55-Q87 PolarHBondContact O-NE2 2.82Å; Q87-V90 HydrophobicContact CB-CG2 3.78Å; Q87-V90 WeakPolarHBondContact O-CG2 3.43Å
88	P	81.4	Confident	93.7	Very high	107 Å²	107	32.8 Å²	32.8	70%	0.695	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	146.7	173.2	31.2	-34.6	0	0	0	111.3	V90 P146	P88-V90 VanDerWaalsContact C-N 3.35Å; P88-V90 PolarHBondContact O-N 2.73Å; P88-P146 HydrophobicContact CB-CG 4.09Å
89	G	81.3	Confident	93.5	Very high	76 Å²	76	33.2 Å²	33.2	78%	0.784	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	10.1	171.9	0	0	0	0	0	116.1	S91	G89-S91 PolarHBondContact O-N 3.12Å; G89-S91 VanDerWaalsContact O-N 3.16Å
90	V	87.1	Confident	93.4	Very high	25 Å²	25	34 Å²	34	15%	0.152	22%	0.224	C	C	.	.			trans	-63.5	114.3	176.6	-178.8	0	0	0	0	110.2	F57 Q87 P88 A92 L139	F57-V90 HydrophobicContact CE1-CG1 4.38Å; F57-V90 HydrophobicContact CE2-CG1 3.82Å; F57-V90 HydrophobicContact CZ-CB 4.49Å; F57-V90 HydrophobicContact CZ-CG1 3.48Å; F57-V90 VanDerWaalsContact CZ-CG1 3.48Å; Q87-V90 HydrophobicContact CB-CG2 3.78Å; Q87-V90 WeakPolarHBondContact O-CG2 3.43Å; P88-V90 VanDerWaalsContact C-N 3.35Å; P88-V90 PolarHBondContact O-N 2.73Å; V90-A92 VanDerWaalsContact CG1-O 3.3Å; V90-A92 WeakPolarHBondContact CG1-O 3.38Å; V90-L139 HydrophobicContact CG1-CD1 4.49Å
91	S	89.7	Confident	93.3	Very high	89 Å²	89	33.7 Å²	33.7	62%	0.622	22%	0.221	S	C	*	.			trans	-97.7	-9.8	-175.8	55	0	0	0	0	114.5	G89 L139	G89-S91 PolarHBondContact O-N 3.12Å; G89-S91 VanDerWaalsContact O-N 3.16Å; S91-L139 PolarHBondContact O-N 2.8Å
92	A	94.3	Very high	93.3	Very high	21 Å²	21	38.7 Å²	38.7	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145	178.8	0	0	0	0	0	112.2	N53 V90 V136 I137 L139	N53-A92 PolarHBondContact ND2-O 2.9Å; V90-A92 VanDerWaalsContact CG1-O 3.3Å; V90-A92 WeakPolarHBondContact CG1-O 3.38Å; A92-V136 HydrophobicContact CB-CG1 4.23Å; A92-I137 CarbonylContact C-O 3.59Å; A92-I137 WeakPolarHBondContact CA-O 3.41Å; A92-I137 WeakPolarHBondContact CB-O 3.18Å; A92-L139 VanDerWaalsContact C-CD1 3.46Å
93	L	96.3	Very high	93.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.5	162.9	170	65.4	0	0	0	107	F57 L83 L95 I137 L139 V152 F196	F57-L93 HydrophobicContact CD2-CD1 3.7Å; F57-L93 HydrophobicContact CE2-CB 4.17Å; F57-L93 HydrophobicContact CE2-CD1 3.66Å; F57-L93 HydrophobicContact CG-CD1 4.27Å; F57-L93 HydrophobicContact CZ-CB 4.09Å; F57-L93 HydrophobicContact CZ-CD1 4.16Å; L83-L93 HydrophobicContact CD1-CD1 4.08Å; L83-L93 HydrophobicContact CD1-CD2 3.5Å; L83-L93 VanDerWaalsContact CD1-CD2 3.5Å; L83-L93 HydrophobicContact CD1-CG 4.44Å; L93-L95 HydrophobicContact CD1-CD2 3.97Å; L93-L95 HydrophobicContact CD1-CG 4.44Å; L93-L95 HydrophobicContact CD2-CD1 4.34Å; L93-L95 HydrophobicContact CD2-CD2 4.37Å; L93-L95 HydrophobicContact CD2-CG 4.32Å; L93-L95 HydrophobicContact CG-CD2 4.19Å; L93-L95 HydrophobicContact CG-CG 4.13Å; L93-I137 HydrophobicContact CB-CB 4.29Å; L93-I137 HydrophobicContact CD2-CD1 3.98Å; L93-I137 HydrophobicContact CG-CD1 4.31Å; L93-I137 PolarHBondContact N-O 3.28Å; L93-I137 PolarHBondContact O-N 3.17Å; L93-L139 HydrophobicContact CB-CD1 4.03Å; L93-L139 HydrophobicContact CB-CD2 4.3Å; L93-L139 HydrophobicContact CB-CG 4.38Å; L93-V152 HydrophobicContact CD2-CB 4.39Å; L93-V152 HydrophobicContact CD2-CG1 4.26Å; L93-V152 HydrophobicContact CD2-CG2 4.13Å; L93-F196 HydrophobicContact CD1-CE1 3.88Å; L93-F196 HydrophobicContact CD1-CZ 3.65Å
94	V	97.9	Very high	93.4	Very high	20 Å²	20	42.6 Å²	42.6	12%	0.121	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.8	176.4	-173.4	0	0	0	0	108	A51 S52 N53 S134 L135 V136	A51-V94 WeakPolarHBondContact O-CG1 3.33Å; S52-V94 WeakPolarHBondContact CA-O 3.37Å; S52-V94 VanDerWaalsContact CB-O 3.23Å; S52-V94 WeakPolarHBondContact CB-O 3.26Å; N53-V94 HydrophobicContact CB-CB 4.04Å; N53-V94 HydrophobicContact CB-CG2 4.22Å; N53-V94 PolarHBondContact N-O 3.41Å; N53-V94 VanDerWaalsContact N-O 3.14Å; N53-V94 PolarHBondContact OD1-N 2.9Å; N53-V94 PolarHBondContact OD1-O 3.07Å; V94-S134 WeakPolarHBondContact CG1-OG 3.35Å; V94-L135 WeakPolarHBondContact CA-O 3.02Å; V94-V136 HydrophobicContact CG1-CG2 4.12Å; V94-V136 HydrophobicContact CG2-CG1 4.35Å; V94-V136 HydrophobicContact CG2-CG2 4.17Å
95	L	98.6	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	152.7	177.1	-59.5	175.7	0	0	0	109.8	L81 L93 L135 I137 P194 C195 F196	L81-L95 HydrophobicContact CD1-CD1 3.67Å; L81-L95 HydrophobicContact CD1-CD2 4.11Å; L93-L95 HydrophobicContact CD1-CD2 3.97Å; L93-L95 HydrophobicContact CD1-CG 4.44Å; L93-L95 HydrophobicContact CD2-CD1 4.34Å; L93-L95 HydrophobicContact CD2-CD2 4.37Å; L93-L95 HydrophobicContact CD2-CG 4.32Å; L93-L95 HydrophobicContact CG-CD2 4.19Å; L93-L95 HydrophobicContact CG-CG 4.13Å; L95-L135 HydrophobicContact CB-CB 4.37Å; L95-L135 HydrophobicContact CD1-CD2 4.42Å; L95-L135 PolarHBondContact N-O 3.02Å; L95-L135 PolarHBondContact O-N 2.84Å; L95-I137 HydrophobicContact CD1-CD1 3.96Å; L95-I137 HydrophobicContact CG-CD1 4.44Å; L95-P194 HydrophobicContact CB-CB 4.38Å; L95-P194 HydrophobicContact CD1-CB 4.06Å; L95-C195 CarbonylContact C-O 3.59Å; L95-C195 WeakPolarHBondContact CA-O 3.4Å; L95-F196 HydrophobicContact CD2-CD1 3.85Å; L95-F196 HydrophobicContact CD2-CE1 3.68Å; L95-F196 HydrophobicContact CD2-CG 4.45Å; L95-F196 HydrophobicContact CD2-CZ 4.14Å
96	D	98.4	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	142.3	163.2	-60.9	-70.3	0	0	0	109.6	S50 A51 S52 R190 P194 C195 D197	S50-D96 WeakPolarHBondContact CA-OD1 3.24Å; S50-D96 PolarHBondContact OG-OD2 2.94Å; A51-D96 PolarHBondContact N-OD1 2.62Å; S52-D96 VanDerWaalsContact CB-OD2 3.27Å; S52-D96 WeakPolarHBondContact CB-OD2 3.26Å; S52-D96 PolarHBondContact OG-OD2 3.02Å; D96-R190 HydrophobicContact CB-CB 3.81Å; D96-R190 IonicContact OD1-CZ 3.2Å; D96-R190 IonicContact OD1-NH1 3.95Å; D96-R190 IonicContact OD1-NH2 2.98Å; D96-P194 VanDerWaalsContact O-CA 3.28Å; D96-P194 WeakPolarHBondContact O-CA 3.47Å; D96-C195 PolarHBondContact N-O 2.88Å; D96-C195 PolarHBondContact O-N 3.12Å; D96-C195 VanDerWaalsContact O-N 3.08Å; D96-D197 HydrophobicContact CB-CB 3.61Å; D96-D197 PolarHBondContact OD2-N 3.46Å
97	S	97.7	Very high	94.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	179.5	179.9	-170.8	0	0	0	0	109.8	G132 S133 R190	S97-G132 WeakPolarHBondContact O-CA 3.43Å; S97-S133 CarbonylContact C-O 3.04Å; S97-S133 PolarHBondContact N-O 2.83Å; S97-S133 PolarHBondContact O-N 2.89Å; S97-R190 CarbonylContact C-O 3.52Å; S97-R190 VanDerWaalsContact CA-O 3.29Å; S97-R190 WeakPolarHBondContact CA-O 3.19Å
98	H	97.1	Very high	94.6	Very high	32 Å²	32	37.4 Å²	37.4	15%	0.148	24%	0.24	C	C	.	.			trans	-146.4	148.3	179.1	-177.9	-100	0	0	0	110.3	S100 L101 P162 R190	H98-S100 WeakPolarHBondContact ND1-CB 3.16Å; H98-S100 PolarHBondContact ND1-N 2.81Å; H98-S100 PolarHBondContact ND1-OG 2.92Å; H98-S100 PolarHBondContact O-N 3.08Å; H98-L101 WeakPolarHBondContact O-CB 3.49Å; H98-L101 PolarHBondContact O-N 3.18Å; H98-P162 WeakPolarHBondContact CE1-CD 3.3Å; H98-R190 WeakPolarHBondContact CB-O 3.48Å; H98-R190 PolarHBondContact N-O 3.23Å; H98-R190 VanDerWaalsContact N-O 3.12Å
99	P	95.2	Very high	95.1	Very high	103 Å²	103	35.8 Å²	35.8	67%	0.669	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-7	-179.1	-28.2	37.5	0	0	0	117.3	L101	P99-L101 VanDerWaalsContact C-N 3.29Å
100	S	95.6	Very high	95.5	Very high	17 Å²	17	33.1 Å²	33.1	12%	0.119	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.6	169.4	61.1	0	0	0	0	113.6	H98	H98-S100 WeakPolarHBondContact ND1-CB 3.16Å; H98-S100 PolarHBondContact ND1-N 2.81Å; H98-S100 PolarHBondContact ND1-OG 2.92Å; H98-S100 PolarHBondContact O-N 3.08Å
101	L	96.9	Very high	95.4	Very high	16 Å²	16	34.7 Å²	34.7	8%	0.084	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.4	177.9	-73.6	164.3	0	0	0	111.4	H98 P99 I103 Y156 R190 P194	H98-L101 WeakPolarHBondContact O-CB 3.49Å; H98-L101 PolarHBondContact O-N 3.18Å; P99-L101 VanDerWaalsContact C-N 3.29Å; L101-I103 HydrophobicContact CB-CD1 4.36Å; L101-Y156 HydrophobicContact CD2-CD2 3.31Å; L101-Y156 HydrophobicContact CD2-CE2 3.52Å; L101-Y156 HydrophobicContact CD2-CG 4.25Å; L101-R190 WeakPolarHBondContact CD1-O 3.45Å; L101-P194 HydrophobicContact CD1-CG 4.07Å
102	L	97.7	Very high	94.8	Very high	109 Å²	109	34.6 Å²	34.6	57%	0.571	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.5	167.9	178.4	58.9	0	0	0	109.4	Y156 T157	L102-Y156 CarbonylContact O-C 3.54Å; L102-Y156 WeakPolarHBondContact O-CA 3.31Å; L102-Y156 WeakPolarHBondContact O-CB 3.16Å; L102-T157 PolarHBondContact N-O 2.81Å; L102-T157 PolarHBondContact O-N 2.87Å
103	I	98.3	Very high	93.9	Very high	15 Å²	15	37 Å²	37	8%	0.077	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.6	175.2	-51	-54.7	0	0	0	109.9	L101 I106 Y123 L135 V154 P194	L101-I103 HydrophobicContact CB-CD1 4.36Å; I103-I106 HydrophobicContact CG2-CD1 4Å; I103-I106 HydrophobicContact CG2-CG1 3.81Å; I103-Y123 HydrophobicContact CB-CE2 3.99Å; I103-Y123 HydrophobicContact CG2-CE1 3.96Å; I103-Y123 HydrophobicContact CG2-CE2 3.92Å; I103-Y123 PolarHBondContact O-OH 2.93Å; I103-L135 HydrophobicContact CD1-CD2 4.44Å; I103-V154 HydrophobicContact CD1-CG1 4Å; I103-V154 HydrophobicContact CG2-CG1 4.19Å; I103-P194 HydrophobicContact CD1-CG 3.88Å
104	H	98.2	Very high	92.6	Very high	102 Å²	102	40.5 Å²	40.5	47%	0.472	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-47.4	-179.6	-59.5	-62.5	0	0	0	112.6	R155 Y156 T157	H104-R155 HydrophobicContact CB-CB 4.27Å; H104-R155 PolarHBondContact N-O 3.49Å; H104-Y156 VanDerWaalsContact CD2-CA 3.49Å; H104-Y156 WeakPolarHBondContact CD2-CA 3.37Å; H104-T157 PolarHBondContact NE2-OG1 3.4Å
105	S	98.1	Very high	91.4	Very high	26 Å²	26	45.9 Å²	45.9	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.6	173.6	83.6	0	0	0	0	111	D107 R155	S105-D107 PolarHBondContact OG-OD2 3.06Å; S105-R155 PolarHBondContact N-O 2.77Å; S105-R155 PolarHBondContact O-N 2.85Å; S105-R155 PolarHBondContact OG-NH1 3.08Å
106	I	98.4	Very high	90	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.4	168.8	-56.7	-172.5	0	0	0	107.6	I103 S120 L121 Y123 L135 I137 V152 T153 V154	I103-I106 HydrophobicContact CG2-CD1 4Å; I103-I106 HydrophobicContact CG2-CG1 3.81Å; I106-S120 PolarHBondContact O-OG 2.82Å; I106-L121 HydrophobicContact CG2-CB 4.33Å; I106-L121 HydrophobicContact CG2-CD1 4.44Å; I106-L121 PolarHBondContact O-N 2.87Å; I106-Y123 HydrophobicContact CB-CD1 4.32Å; I106-Y123 HydrophobicContact CD1-CD1 3.81Å; I106-Y123 HydrophobicContact CD1-CD2 4.37Å; I106-Y123 HydrophobicContact CD1-CE1 4.46Å; I106-Y123 HydrophobicContact CD1-CG 3.77Å; I106-Y123 HydrophobicContact CG1-CD1 3.9Å; I106-Y123 HydrophobicContact CG1-CE1 4.27Å; I106-Y123 HydrophobicContact CG1-CG 4.38Å; I106-L135 HydrophobicContact CD1-CD1 4.12Å; I106-L135 HydrophobicContact CD1-CD2 4.12Å; I106-L135 HydrophobicContact CD1-CG 4.46Å; I106-I137 HydrophobicContact CD1-CD1 3.77Å; I106-I137 HydrophobicContact CD1-CG1 3.75Å; I106-I137 HydrophobicContact CG2-CD1 4.21Å; I106-I137 HydrophobicContact CG2-CG2 3.84Å; I106-V152 HydrophobicContact CG2-CG1 3.8Å; I106-T153 CarbonylContact C-O 3.51Å; I106-T153 WeakPolarHBondContact CA-O 3.41Å; I106-V154 HydrophobicContact CD1-CG1 4.34Å; I106-V154 HydrophobicContact CD1-CG2 4.16Å; I106-V154 HydrophobicContact CG1-CB 4.46Å; I106-V154 HydrophobicContact CG1-CG1 4.11Å; I106-V154 HydrophobicContact CG1-CG2 4.1Å; I106-V154 HydrophobicContact CG2-CG2 4.17Å
107	D	95.9	Very high	89.2	Confident	14 Å²	14	59.8 Å²	59.8	8%	0.075	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.9	-175.6	-48.9	-67.5	0	0	0	110.2	S105 P118 S120 T153 R155	S105-D107 PolarHBondContact OG-OD2 3.06Å; D107-P118 HydrophobicContact CB-CB 4.11Å; D107-P118 HydrophobicContact CB-CG 4.36Å; D107-S120 VanDerWaalsContact OD1-CA 3.27Å; D107-S120 WeakPolarHBondContact OD1-CA 3.49Å; D107-S120 WeakPolarHBondContact OD1-CB 3.3Å; D107-S120 PolarHBondContact OD1-OG 2.94Å; D107-T153 PolarHBondContact N-O 3.06Å; D107-T153 PolarHBondContact O-N 2.76Å; D107-R155 IonicContact OD2-CZ 2.7Å; D107-R155 IonicContact OD2-NH1 3.07Å; D107-R155 PolarHBondContact OD2-NH1 3.43Å
108	C	93.6	Very high	88.7	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.2	-177.2	179.8	0	0	0	0	111.6	P118 A119 L121 Q151	C108-P118 WeakPolarHBondContact O-CA 3.37Å; C108-A119 PolarHBondContact N-O 3.2Å; C108-A119 PolarHBondContact O-N 2.95Å; C108-L121 HydrophobicContact CB-CD1 3.67Å; C108-L121 HydrophobicContact CB-CD2 4.08Å; C108-L121 HydrophobicContact CB-CG 3.91Å; C108-Q151 WeakPolarHBondContact CA-O 3.25Å
109	K	91.5	Very high	88.4	Confident	74 Å²	74	63.3 Å²	63.3	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142	171.9	-171.4	161.3	-177.4	167.4	0	110.3	D116 P118 Q151	K109-D116 WeakPolarHBondContact CE-O 3.31Å; K109-D116 PolarHBondContact NZ-O 3.15Å; K109-P118 HydrophobicContact CB-CB 4.28Å; K109-Q151 PolarHBondContact N-O 3.13Å; K109-Q151 PolarHBondContact O-N 3.05Å
110	V	88.6	Confident	88.4	Confident	20 Å²	20	62.7 Å²	62.7	12%	0.121	38%	0.379	C	S	.	.			trans	-107.8	108.8	173.3	179.4	0	0	0	0	107.5	G112 D113 Q148 I150	V110-G112 PolarHBondContact O-N 2.92Å; V110-D113 HydrophobicContact CB-CB 3.79Å; V110-D113 HydrophobicContact CG1-CB 3.95Å; V110-D113 VanDerWaalsContact O-CB 3.3Å; V110-D113 WeakPolarHBondContact O-CB 3.46Å; V110-D113 PolarHBondContact O-N 3.06Å; V110-Q148 HydrophobicContact CG1-CG 4.5Å; V110-I150 HydrophobicContact CG2-CG2 4Å
111	P	85.1	Confident	88.4	Confident	58 Å²	58	62.6 Å²	62.6	38%	0.377	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	126.4	178.5	-27.4	37.2	0	0	0	111.6	L149 Q151	P111-L149 WeakPolarHBondContact CD-O 3.3Å; P111-L149 HydrophobicContact CG-CD2 4.12Å; P111-L149 HydrophobicContact CG-CG 4.29Å; P111-Q151 HydrophobicContact CG-CG 3.84Å
112	G	77.3	Confident	88.4	Confident	87 Å²	87	66.8 Å²	66.8	90%	0.897	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	6	-180	0	0	0	0	0	116.5	V110 G114	V110-G112 PolarHBondContact O-N 2.92Å; G112-G114 VanDerWaalsContact C-N 3.3Å; G112-G114 PolarHBondContact O-N 3.05Å
113	D	75.4	Confident	88.4	Confident	72 Å²	72	65.9 Å²	65.9	39%	0.385	39%	0.393	S	S	.	.	S	Bend	trans	-65.3	-29	176.3	165.3	-74.2	0	0	0	113.9	V110 K115	V110-D113 HydrophobicContact CB-CB 3.79Å; V110-D113 HydrophobicContact CG1-CB 3.95Å; V110-D113 VanDerWaalsContact O-CB 3.3Å; V110-D113 WeakPolarHBondContact O-CB 3.46Å; V110-D113 PolarHBondContact O-N 3.06Å; D113-K115 VanDerWaalsContact OD1-CB 3.31Å; D113-K115 WeakPolarHBondContact OD1-CB 3.43Å; D113-K115 WeakPolarHBondContact OD1-CD 3.47Å; D113-K115 WeakPolarHBondContact OD1-CG 3.46Å; D113-K115 PolarHBondContact OD1-N 3.21Å; D113-K115 IonicContact OD1-NZ 3.59Å; D113-K115 PolarHBondContact OD1-NZ 2.93Å; D113-K115 IonicContact OD2-NZ 3.59Å; D113-K115 PolarHBondContact OD2-NZ 2.82Å
114	G	69.3	Low	88.4	Confident	72 Å²	72	72 Å²	72	74%	0.742	42%	0.415	S	S	*	.	S	Bend	trans	98	-10.4	-176.4	0	0	0	0	0	114.5	G112	G112-G114 VanDerWaalsContact C-N 3.3Å; G112-G114 PolarHBondContact O-N 3.05Å
115	K	73.1	Confident	88.3	Confident	134 Å²	134	70.6 Å²	70.6	58%	0.583	41%	0.413	S	S	*	.			trans	-82.8	126	162.9	-63.9	171.8	-151.1	80.5	0	110.6	D113	D113-K115 VanDerWaalsContact OD1-CB 3.31Å; D113-K115 WeakPolarHBondContact OD1-CB 3.43Å; D113-K115 WeakPolarHBondContact OD1-CD 3.47Å; D113-K115 WeakPolarHBondContact OD1-CG 3.46Å; D113-K115 PolarHBondContact OD1-N 3.21Å; D113-K115 IonicContact OD1-NZ 3.59Å; D113-K115 PolarHBondContact OD1-NZ 2.93Å; D113-K115 IonicContact OD2-NZ 3.59Å; D113-K115 PolarHBondContact OD2-NZ 2.82Å
116	D	68.6	Low	88.3	Confident	134 Å²	134	71.3 Å²	71.3	72%	0.717	42%	0.415	S	S	*	.			trans	-77.3	-39.5	173.6	-73.5	-49.2	0	0	0	112.6	K109	K109-D116 WeakPolarHBondContact CE-O 3.31Å; K109-D116 PolarHBondContact NZ-O 3.15Å
117	E	81.1	Confident	88.1	Confident	158 Å²	158	77.2 Å²	77.2	74%	0.738	45%	0.453	S	S	*	.	S	Bend	trans	-77.4	138.5	178.6	-66.9	-60.6	157.2	0	0	112.4
118	P	88.5	Confident	88	Confident	55 Å²	55	79.6 Å²	79.6	36%	0.357	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-74.6	148	173.6	33.8	-35	0	0	0	111.3	D107 C108 K109	D107-P118 HydrophobicContact CB-CB 4.11Å; D107-P118 HydrophobicContact CB-CG 4.36Å; C108-P118 WeakPolarHBondContact O-CA 3.37Å; K109-P118 HydrophobicContact CB-CB 4.28Å
119	A	90.4	Very high	87.9	Confident	54 Å²	54	80.5 Å²	80.5	45%	0.446	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119	175.8	0	0	0	0	0	110.5	C108	C108-A119 PolarHBondContact N-O 3.2Å; C108-A119 PolarHBondContact O-N 2.95Å
120	S	95	Very high	87.7	Confident	89 Å²	89	83 Å²	83	62%	0.622	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	139.9	176.6	-149.9	0	0	0	0	111.6	I106 D107	I106-S120 PolarHBondContact O-OG 2.82Å; D107-S120 VanDerWaalsContact OD1-CA 3.27Å; D107-S120 WeakPolarHBondContact OD1-CA 3.49Å; D107-S120 WeakPolarHBondContact OD1-CB 3.3Å; D107-S120 PolarHBondContact OD1-OG 2.94Å
121	L	95.5	Very high	87.7	Confident	16 Å²	16	82.8 Å²	82.8	8%	0.084	48%	0.483	C	S	.	.			trans	-114	143.3	-172.4	-60.3	-169.4	0	0	0	112.2	I106 C108 I137 L139 P140	I106-L121 HydrophobicContact CG2-CB 4.33Å; I106-L121 HydrophobicContact CG2-CD1 4.44Å; I106-L121 PolarHBondContact O-N 2.87Å; C108-L121 HydrophobicContact CB-CD1 3.67Å; C108-L121 HydrophobicContact CB-CD2 4.08Å; C108-L121 HydrophobicContact CB-CG 3.91Å; L121-I137 HydrophobicContact CB-CG2 4.05Å; L121-I137 HydrophobicContact CD1-CG2 3.6Å; L121-L139 HydrophobicContact CD1-CD2 3.94Å; L121-P140 HydrophobicContact CD2-CG 3.85Å
122	T	96.9	Very high	88.1	Confident	104 Å²	104	80 Å²	80	64%	0.638	47%	0.465	S	S	*	.			trans	-82.4	135.6	170.6	51.2	0	0	0	0	110.7	S138	T122-S138 WeakPolarHBondContact O-CB 3.49Å; T122-S138 PolarHBondContact O-N 3.28Å; T122-S138 PolarHBondContact O-OG 2.77Å; T122-S138 VanDerWaalsContact O-OG 3.14Å; T122-S138 WeakPolarHBondContact OG1-CB 3.28Å; T122-S138 PolarHBondContact OG1-OG 3.26Å
123	Y	97.6	Very high	89	Confident	89 Å²	89	76.5 Å²	76.5	35%	0.349	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	164.1	178.5	69.2	-88.1	0	0	0	111.4	I103 I106 L135 V136	I103-Y123 HydrophobicContact CB-CE2 3.99Å; I103-Y123 HydrophobicContact CG2-CE1 3.96Å; I103-Y123 HydrophobicContact CG2-CE2 3.92Å; I103-Y123 PolarHBondContact O-OH 2.93Å; I106-Y123 HydrophobicContact CB-CD1 4.32Å; I106-Y123 HydrophobicContact CD1-CD1 3.81Å; I106-Y123 HydrophobicContact CD1-CD2 4.37Å; I106-Y123 HydrophobicContact CD1-CE1 4.46Å; I106-Y123 HydrophobicContact CD1-CG 3.77Å; I106-Y123 HydrophobicContact CG1-CD1 3.9Å; I106-Y123 HydrophobicContact CG1-CE1 4.27Å; I106-Y123 HydrophobicContact CG1-CG 4.38Å; Y123-L135 HydrophobicContact CD2-CD1 3.64Å; Y123-L135 HydrophobicContact CE2-CD1 4.45Å; Y123-L135 HydrophobicContact CG-CD1 4.19Å; Y123-V136 CarbonylContact C-O 3.59Å; Y123-V136 WeakPolarHBondContact CA-O 3.3Å
124	R	97.3	Very high	90	Very high	145 Å²	145	73.7 Å²	73.7	55%	0.547	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.5	167	64.2	179.2	-177.3	140	4.4	109.5	D126 V136	R124-D126 WeakPolarHBondContact CD-OD1 3.29Å; R124-D126 IonicContact CZ-OD1 3.97Å; R124-D126 IonicContact CZ-OD2 3.21Å; R124-D126 IonicContact NE-OD1 2.86Å; R124-D126 IonicContact NE-OD2 3.87Å; R124-D126 PolarHBondContact NE-OD2 2.88Å; R124-D126 VanDerWaalsContact NH1-CG 3.33Å; R124-D126 IonicContact NH1-OD1 3.61Å; R124-D126 PolarHBondContact NH1-OD1 3.19Å; R124-D126 IonicContact NH1-OD2 2.8Å; R124-D126 PolarHBondContact NH1-OD2 2.97Å; R124-D126 IonicContact NH2-OD1 2.7Å; R124-D126 IonicContact NH2-OD2 2.75Å; R124-D126 PolarHBondContact NH2-OD2 2.83Å; R124-V136 HydrophobicContact CG-CB 3.88Å; R124-V136 PolarHBondContact N-O 3.08Å; R124-V136 PolarHBondContact O-N 2.9Å
125	V	97.6	Very high	91.4	Very high	71 Å²	71	70.3 Å²	70.3	43%	0.43	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.5	170.6	-178.3	0	0	0	0	107.5	S134 L135	V125-S134 CarbonylContact C-O 3.56Å; V125-S134 WeakPolarHBondContact CA-O 3.34Å; V125-L135 HydrophobicContact CG2-CD1 3.89Å
126	D	96.7	Very high	92.6	Very high	41 Å²	41	64.9 Å²	64.9	22%	0.219	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142.9	175.8	-57.2	-55.3	0	0	0	109.5	R124 S134 V136	R124-D126 WeakPolarHBondContact CD-OD1 3.29Å; R124-D126 IonicContact CZ-OD1 3.97Å; R124-D126 IonicContact CZ-OD2 3.21Å; R124-D126 IonicContact NE-OD1 2.86Å; R124-D126 IonicContact NE-OD2 3.87Å; R124-D126 PolarHBondContact NE-OD2 2.88Å; R124-D126 VanDerWaalsContact NH1-CG 3.33Å; R124-D126 IonicContact NH1-OD1 3.61Å; R124-D126 PolarHBondContact NH1-OD1 3.19Å; R124-D126 IonicContact NH1-OD2 2.8Å; R124-D126 PolarHBondContact NH1-OD2 2.97Å; R124-D126 IonicContact NH2-OD1 2.7Å; R124-D126 IonicContact NH2-OD2 2.75Å; R124-D126 PolarHBondContact NH2-OD2 2.83Å; D126-S134 PolarHBondContact N-O 2.79Å; D126-S134 PolarHBondContact O-N 2.89Å; D126-V136 WeakPolarHBondContact OD2-CG2 3.42Å
127	P	94.8	Very high	94	Very high	125 Å²	125	58.5 Å²	58.5	81%	0.812	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	144.6	171.9	-22.5	33.8	0	0	0	111.9
128	F	93.4	Very high	94.7	Very high	64 Å²	64	53.6 Å²	53.6	28%	0.281	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	-62.8	175.6	174.4	-118.6	0	0	0	111.3	A49 A51 Y131 G132	A49-F128 WeakPolarHBondContact O-CE1 3.45Å; A51-F128 HydrophobicContact CB-CB 4.2Å; A51-F128 HydrophobicContact CB-CD1 4Å; A51-F128 HydrophobicContact CB-CD2 3.63Å; A51-F128 HydrophobicContact CB-CE1 4.27Å; A51-F128 HydrophobicContact CB-CE2 3.92Å; A51-F128 HydrophobicContact CB-CG 3.67Å; A51-F128 HydrophobicContact CB-CZ 4.23Å; F128-Y131 HydrophobicContact CE1-CE2 4.28Å; F128-G132 PolarHBondContact N-O 3.33Å
129	T	91.3	Very high	94.8	Very high	28 Å²	28	51.6 Å²	51.6	17%	0.172	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	177.4	-177.7	54.8	0	0	0	0	110.3	Y131 G132 S418	T129-Y131 HydrophobicContact CG2-CD1 4.34Å; T129-Y131 HydrophobicContact CG2-CE1 3.68Å; T129-Y131 HydrophobicContact CG2-CE2 4.37Å; T129-Y131 PolarHBondContact O-N 3.09Å; T129-Y131 WeakPolarHBondContact OG1-CD1 3.37Å; T129-Y131 WeakPolarHBondContact OG1-CD2 3.13Å; T129-Y131 WeakPolarHBondContact OG1-CE1 3.28Å; T129-Y131 WeakPolarHBondContact OG1-CE2 3.48Å; T129-Y131 PolarHBondContact OG1-N 2.94Å; T129-G132 PolarHBondContact N-O 3.05Å; T129-G132 VanDerWaalsContact N-O 3.13Å; T129-G132 PolarHBondContact O-N 3.18Å; T129-G132 PolarHBondContact OG1-N 2.97Å; T129-G132 VanDerWaalsContact OG1-N 3.15Å; T129-S418 WeakPolarHBondContact CG2-O 3.36Å
130	D	88.1	Confident	94.3	Very high	128 Å²	128	51.4 Å²	51.4	68%	0.684	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.6	167.5	64.2	-50.8	0	0	0	112.3
131	Y	88.5	Confident	93.1	Very high	14 Å²	14	52.3 Å²	52.3	6%	0.055	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.8	178.4	61.5	-93.4	0	0	0	115.1	A49 F128 T129 V187 S418 V420 N421	A49-Y131 WeakPolarHBondContact CA-OH 3.25Å; A49-Y131 HydrophobicContact CB-CE2 4.46Å; F128-Y131 HydrophobicContact CE1-CE2 4.28Å; T129-Y131 HydrophobicContact CG2-CD1 4.34Å; T129-Y131 HydrophobicContact CG2-CE1 3.68Å; T129-Y131 HydrophobicContact CG2-CE2 4.37Å; T129-Y131 PolarHBondContact O-N 3.09Å; T129-Y131 WeakPolarHBondContact OG1-CD1 3.37Å; T129-Y131 WeakPolarHBondContact OG1-CD2 3.13Å; T129-Y131 WeakPolarHBondContact OG1-CE1 3.28Å; T129-Y131 WeakPolarHBondContact OG1-CE2 3.48Å; T129-Y131 PolarHBondContact OG1-N 2.94Å; Y131-V187 HydrophobicContact CD2-CG2 3.69Å; Y131-V187 HydrophobicContact CE2-CG2 3.86Å; Y131-S418 PolarHBondContact OH-O 2.94Å; Y131-V420 PolarHBondContact OH-O 3.46Å; Y131-N421 HydrophobicContact CD1-CB 3.74Å; Y131-N421 HydrophobicContact CE1-CB 4.14Å; Y131-N421 HydrophobicContact CG-CB 4.36Å
132	G	93.3	Very high	91.6	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	174.4	-176.9	0	0	0	0	0	117.5	S97 F128 T129	S97-G132 WeakPolarHBondContact O-CA 3.43Å; F128-G132 PolarHBondContact N-O 3.33Å; T129-G132 PolarHBondContact N-O 3.05Å; T129-G132 VanDerWaalsContact N-O 3.13Å; T129-G132 PolarHBondContact O-N 3.18Å; T129-G132 PolarHBondContact OG1-N 2.97Å; T129-G132 VanDerWaalsContact OG1-N 3.15Å
133	S	96.4	Very high	89.7	Confident	12 Å²	12	52.8 Å²	52.8	8%	0.084	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.1	179.7	-59.4	0	0	0	0	110.8	S97	S97-S133 CarbonylContact C-O 3.04Å; S97-S133 PolarHBondContact N-O 2.83Å; S97-S133 PolarHBondContact O-N 2.89Å
134	S	97.7	Very high	88.5	Confident	14 Å²	14	50 Å²	50	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.2	-178.7	-170.3	0	0	0	0	110.4	V94 V125 D126 V136	V94-S134 WeakPolarHBondContact CG1-OG 3.35Å; V125-S134 CarbonylContact C-O 3.56Å; V125-S134 WeakPolarHBondContact CA-O 3.34Å; D126-S134 PolarHBondContact N-O 2.79Å; D126-S134 PolarHBondContact O-N 2.89Å; S134-V136 PolarHBondContact O-N 2.81Å
135	L	98.5	Very high	87.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	101.9	173	174.1	61.4	0	0	0	109	V94 L95 I103 I106 Y123 V125 I137 P194	V94-L135 WeakPolarHBondContact CA-O 3.02Å; L95-L135 HydrophobicContact CB-CB 4.37Å; L95-L135 HydrophobicContact CD1-CD2 4.42Å; L95-L135 PolarHBondContact N-O 3.02Å; L95-L135 PolarHBondContact O-N 2.84Å; I103-L135 HydrophobicContact CD1-CD2 4.44Å; I106-L135 HydrophobicContact CD1-CD1 4.12Å; I106-L135 HydrophobicContact CD1-CD2 4.12Å; I106-L135 HydrophobicContact CD1-CG 4.46Å; Y123-L135 HydrophobicContact CD2-CD1 3.64Å; Y123-L135 HydrophobicContact CE2-CD1 4.45Å; Y123-L135 HydrophobicContact CG-CD1 4.19Å; V125-L135 HydrophobicContact CG2-CD1 3.89Å; L135-I137 HydrophobicContact CD1-CG1 4.36Å; L135-I137 HydrophobicContact CD2-CD1 4.23Å; L135-I137 HydrophobicContact CG-CD1 4.2Å; L135-I137 HydrophobicContact CG-CG1 4Å; L135-P194 HydrophobicContact CD2-CB 3.68Å; L135-P194 HydrophobicContact CD2-CG 4.02Å
136	V	98.3	Very high	86.7	Confident	20 Å²	20	51.6 Å²	51.6	12%	0.121	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.7	-178.5	-178.7	0	0	0	0	109.6	A92 V94 Y123 R124 D126 S134	A92-V136 HydrophobicContact CB-CG1 4.23Å; V94-V136 HydrophobicContact CG1-CG2 4.12Å; V94-V136 HydrophobicContact CG2-CG1 4.35Å; V94-V136 HydrophobicContact CG2-CG2 4.17Å; Y123-V136 CarbonylContact C-O 3.59Å; Y123-V136 WeakPolarHBondContact CA-O 3.3Å; R124-V136 HydrophobicContact CG-CB 3.88Å; R124-V136 PolarHBondContact N-O 3.08Å; R124-V136 PolarHBondContact O-N 2.9Å; D126-V136 WeakPolarHBondContact OD2-CG2 3.42Å; S134-V136 PolarHBondContact O-N 2.81Å
137	I	97.6	Very high	86.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.5	-174.9	-54.1	167	0	0	0	108.7	A92 L93 L95 I106 L121 L135	A92-I137 CarbonylContact C-O 3.59Å; A92-I137 WeakPolarHBondContact CA-O 3.41Å; A92-I137 WeakPolarHBondContact CB-O 3.18Å; L93-I137 HydrophobicContact CB-CB 4.29Å; L93-I137 HydrophobicContact CD2-CD1 3.98Å; L93-I137 HydrophobicContact CG-CD1 4.31Å; L93-I137 PolarHBondContact N-O 3.28Å; L93-I137 PolarHBondContact O-N 3.17Å; L95-I137 HydrophobicContact CD1-CD1 3.96Å; L95-I137 HydrophobicContact CG-CD1 4.44Å; I106-I137 HydrophobicContact CD1-CD1 3.77Å; I106-I137 HydrophobicContact CD1-CG1 3.75Å; I106-I137 HydrophobicContact CG2-CD1 4.21Å; I106-I137 HydrophobicContact CG2-CG2 3.84Å; L121-I137 HydrophobicContact CB-CG2 4.05Å; L121-I137 HydrophobicContact CD1-CG2 3.6Å; L135-I137 HydrophobicContact CD1-CG1 4.36Å; L135-I137 HydrophobicContact CD2-CD1 4.23Å; L135-I137 HydrophobicContact CG-CD1 4.2Å; L135-I137 HydrophobicContact CG-CG1 4Å
138	S	95.5	Very high	85.8	Confident	55 Å²	55	51.3 Å²	51.3	39%	0.385	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.5	-179.9	-48	0	0	0	0	110.5	T122	T122-S138 WeakPolarHBondContact O-CB 3.49Å; T122-S138 PolarHBondContact O-N 3.28Å; T122-S138 PolarHBondContact O-OG 2.77Å; T122-S138 VanDerWaalsContact O-OG 3.14Å; T122-S138 WeakPolarHBondContact OG1-CB 3.28Å; T122-S138 PolarHBondContact OG1-OG 3.26Å
139	L	90.3	Very high	85.7	Confident	14 Å²	14	51.4 Å²	51.4	7%	0.073	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-100.7	147.1	-178.1	-61.6	169.3	0	0	0	111.1	F57 V90 S91 A92 L93 L121 A141 L144	F57-L139 HydrophobicContact CE1-CD1 4.06Å; F57-L139 HydrophobicContact CZ-CD1 3.59Å; V90-L139 HydrophobicContact CG1-CD1 4.49Å; S91-L139 PolarHBondContact O-N 2.8Å; A92-L139 VanDerWaalsContact C-CD1 3.46Å; L93-L139 HydrophobicContact CB-CD1 4.03Å; L93-L139 HydrophobicContact CB-CD2 4.3Å; L93-L139 HydrophobicContact CB-CG 4.38Å; L121-L139 HydrophobicContact CD1-CD2 3.94Å; L139-A141 PolarHBondContact O-N 2.77Å; L139-L144 HydrophobicContact CB-CD1 3.87Å; L139-L144 HydrophobicContact CD1-CD1 3.62Å; L139-L144 HydrophobicContact CG-CD1 4.2Å
140	P	80.1	Confident	85.8	Confident	50 Å²	50	50.1 Å²	50.1	33%	0.325	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65.5	122.3	-175.1	-20.7	33.4	0	0	0	112.4	L121 G142 A143	L121-P140 HydrophobicContact CD2-CG 3.85Å; P140-G142 PolarHBondContact O-N 2.86Å; P140-A143 HydrophobicContact CB-CB 3.89Å; P140-A143 WeakPolarHBondContact O-CB 3.22Å; P140-A143 PolarHBondContact O-N 2.93Å; P140-A143 VanDerWaalsContact O-N 3.13Å
141	A	69.6	Low	86.1	Confident	107 Å²	107	46.8 Å²	46.8	88%	0.884	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	126.2	-175.8	0	0	0	0	0	112.1	L139 A143	L139-A141 PolarHBondContact O-N 2.77Å; A141-A143 PolarHBondContact O-N 3.25Å
142	G	63.3	Low	86.5	Confident	84 Å²	84	46.1 Å²	46.1	87%	0.866	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-4	179.3	0	0	0	0	0	115.9	P140	P140-G142 PolarHBondContact O-N 2.86Å
143	A	58.6	Low	86.8	Confident	46 Å²	46	47.4 Å²	47.4	38%	0.38	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.7	178	0	0	0	0	0	113.4	P140 A141	P140-A143 HydrophobicContact CB-CB 3.89Å; P140-A143 WeakPolarHBondContact O-CB 3.22Å; P140-A143 PolarHBondContact O-N 2.93Å; P140-A143 VanDerWaalsContact O-N 3.13Å; A141-A143 PolarHBondContact O-N 3.25Å
144	L	72.3	Confident	86.9	Confident	30 Å²	30	46.8 Å²	46.8	16%	0.157	28%	0.284	C	S	.	.			trans	-97	115	-172.8	-58	-172	0	0	0	112.1	P85 L139 I150	P85-L144 HydrophobicContact CG-CB 4.34Å; P85-L144 HydrophobicContact CG-CD1 4.29Å; L139-L144 HydrophobicContact CB-CD1 3.87Å; L139-L144 HydrophobicContact CD1-CD1 3.62Å; L139-L144 HydrophobicContact CG-CD1 4.2Å; L144-I150 HydrophobicContact CD1-CD1 4.21Å; L144-I150 HydrophobicContact CD2-CD1 3.86Å; L144-I150 HydrophobicContact CD2-CG2 3.55Å
145	R	76.6	Confident	86.9	Confident	181 Å²	181	50.9 Å²	50.9	68%	0.683	30%	0.297	S	S	*	.			trans	-94.1	145	167.8	-55	175	-175.5	177.1	2.8	109.3	Q148	R145-Q148 HydrophobicContact CB-CB 4.15Å; R145-Q148 VanDerWaalsContact O-CB 3.27Å; R145-Q148 WeakPolarHBondContact O-CB 3.36Å; R145-Q148 PolarHBondContact O-N 3.14Å
146	P	80.1	Confident	86.9	Confident	69 Å²	69	50.9 Å²	50.9	45%	0.448	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	145.7	170.1	-24.9	35	0	0	0	111.8	P85 P88 Q148	P85-P146 WeakPolarHBondContact O-CA 3.32Å; P88-P146 HydrophobicContact CB-CG 4.09Å; P146-Q148 PolarHBondContact O-N 3.23Å; P146-Q148 VanDerWaalsContact O-N 3.12Å
147	E	83.3	Confident	86.9	Confident	105 Å²	105	50.8 Å²	50.8	49%	0.491	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	9.1	-176.4	-63.6	-68.2	166	0	0	115.7	R58 V84 P85	R58-E147 IonicContact CZ-OE1 3.69Å; R58-E147 IonicContact CZ-OE2 3.23Å; R58-E147 IonicContact NH1-OE1 2.74Å; R58-E147 PolarHBondContact NH1-OE1 2.94Å; R58-E147 IonicContact NH1-OE2 3.72Å; R58-E147 PolarHBondContact NH1-OE2 2.92Å; R58-E147 IonicContact NH2-OE1 3.98Å; R58-E147 PolarHBondContact NH2-OE1 2.83Å; R58-E147 IonicContact NH2-OE2 2.97Å; V84-E147 VanDerWaalsContact CG1-CA 3.45Å; V84-E147 HydrophobicContact CG1-CB 4.47Å; V84-E147 WeakPolarHBondContact CG1-OE2 3.27Å; P85-E147 PolarHBondContact O-N 2.93Å
148	Q	88.5	Confident	86.9	Confident	55 Å²	55	50.8 Å²	50.8	26%	0.257	30%	0.297	S	S	.	.			trans	-85.3	131.3	171.7	-173.1	171.8	3.6	0	0	111.4	P85 V110 R145 P146	P85-Q148 WeakPolarHBondContact CD-O 3.46Å; V110-Q148 HydrophobicContact CG1-CG 4.5Å; R145-Q148 HydrophobicContact CB-CB 4.15Å; R145-Q148 VanDerWaalsContact O-CB 3.27Å; R145-Q148 WeakPolarHBondContact O-CB 3.36Å; R145-Q148 PolarHBondContact O-N 3.14Å; P146-Q148 PolarHBondContact O-N 3.23Å; P146-Q148 VanDerWaalsContact O-N 3.12Å
149	L	92.1	Very high	86.9	Confident	66 Å²	66	51 Å²	51	35%	0.346	30%	0.296	S	S	.	.			trans	-70.4	134.4	173.6	179.6	63.9	0	0	0	111.2	D82 V84 P111	D82-L149 HydrophobicContact CB-CD1 4Å; V84-L149 HydrophobicContact CG2-CD1 4.08Å; P111-L149 WeakPolarHBondContact CD-O 3.3Å; P111-L149 HydrophobicContact CG-CD2 4.12Å; P111-L149 HydrophobicContact CG-CG 4.29Å
150	I	92.6	Very high	86.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.5	166.2	68.1	177.8	0	0	0	110	L83 V110 L144 V152	L83-I150 HydrophobicContact CB-CG1 3.95Å; L83-I150 PolarHBondContact N-O 3.45Å; L83-I150 PolarHBondContact O-N 2.89Å; V110-I150 HydrophobicContact CG2-CG2 4Å; L144-I150 HydrophobicContact CD1-CD1 4.21Å; L144-I150 HydrophobicContact CD2-CD1 3.86Å; L144-I150 HydrophobicContact CD2-CG2 3.55Å; I150-V152 HydrophobicContact CD1-CG2 4.39Å
151	Q	95.4	Very high	87.1	Confident	59 Å²	59	52.8 Å²	52.8	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.1	176.5	-54.4	-166.7	-76.7	0	0	108.9	V80 L81 D82 C108 K109 P111	V80-Q151 HydrophobicContact CG1-CB 4.3Å; L81-Q151 WeakPolarHBondContact O-CA 3.11Å; D82-Q151 WeakPolarHBondContact OD1-CG 3.44Å; D82-Q151 PolarHBondContact OD1-NE2 3.27Å; C108-Q151 WeakPolarHBondContact CA-O 3.25Å; K109-Q151 PolarHBondContact N-O 3.13Å; K109-Q151 PolarHBondContact O-N 3.05Å; P111-Q151 HydrophobicContact CG-CG 3.84Å
152	V	97.1	Very high	88.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.2	174.5	178.8	0	0	0	0	108.6	V80 L81 L83 L93 I106 I150 V154	V80-V152 CarbonylContact C-O 3.47Å; V80-V152 WeakPolarHBondContact CA-O 3.5Å; L81-V152 HydrophobicContact CB-CB 4.5Å; L81-V152 PolarHBondContact N-O 2.9Å; L81-V152 PolarHBondContact O-N 3.3Å; L83-V152 HydrophobicContact CD1-CB 4.3Å; L83-V152 HydrophobicContact CD1-CG2 3.99Å; L93-V152 HydrophobicContact CD2-CB 4.39Å; L93-V152 HydrophobicContact CD2-CG1 4.26Å; L93-V152 HydrophobicContact CD2-CG2 4.13Å; I106-V152 HydrophobicContact CG2-CG1 3.8Å; I150-V152 HydrophobicContact CD1-CG2 4.39Å; V152-V154 HydrophobicContact CG1-CG2 4.33Å
153	T	98.2	Very high	89.6	Confident	27 Å²	27	46.2 Å²	46.2	17%	0.166	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.1	176.5	-57.1	0	0	0	0	109.5	W78 L79 V80 I106 D107	W78-T153 HydrophobicContact CB-CG2 4.25Å; L79-T153 CarbonylContact O-C 3.39Å; L79-T153 VanDerWaalsContact O-CA 3.29Å; L79-T153 WeakPolarHBondContact O-CA 3.17Å; V80-T153 HydrophobicContact CG2-CG2 4.34Å; I106-T153 CarbonylContact C-O 3.51Å; I106-T153 WeakPolarHBondContact CA-O 3.41Å; D107-T153 PolarHBondContact N-O 3.06Å; D107-T153 PolarHBondContact O-N 2.76Å
154	V	98.6	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.4	175.4	-179.5	0	0	0	0	108.4	W78 L79 I103 I106 V152 Y156 P194	W78-V154 CarbonylContact C-O 3.56Å; W78-V154 VanDerWaalsContact CA-O 3.23Å; W78-V154 WeakPolarHBondContact CA-O 3.35Å; W78-V154 WeakPolarHBondContact CB-O 3.49Å; L79-V154 HydrophobicContact CB-CB 4.46Å; L79-V154 PolarHBondContact N-O 2.83Å; L79-V154 PolarHBondContact O-N 2.91Å; I103-V154 HydrophobicContact CD1-CG1 4Å; I103-V154 HydrophobicContact CG2-CG1 4.19Å; I106-V154 HydrophobicContact CD1-CG1 4.34Å; I106-V154 HydrophobicContact CD1-CG2 4.16Å; I106-V154 HydrophobicContact CG1-CB 4.46Å; I106-V154 HydrophobicContact CG1-CG1 4.11Å; I106-V154 HydrophobicContact CG1-CG2 4.1Å; I106-V154 HydrophobicContact CG2-CG2 4.17Å; V152-V154 HydrophobicContact CG1-CG2 4.33Å; V154-Y156 HydrophobicContact CG1-CD1 4.44Å; V154-P194 HydrophobicContact CG1-CG 4.25Å
155	R	98.8	Very high	92.5	Very high	99 Å²	99	44.3 Å²	44.3	37%	0.374	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.9	171.5	-59	-161.5	-178	73.6	9.7	109.5	G77 W78 H104 S105 D107	G77-R155 WeakPolarHBondContact O-CA 3.22Å; W78-R155 HydrophobicContact CB-CG 4.04Å; H104-R155 HydrophobicContact CB-CB 4.27Å; H104-R155 PolarHBondContact N-O 3.49Å; S105-R155 PolarHBondContact N-O 2.77Å; S105-R155 PolarHBondContact O-N 2.85Å; S105-R155 PolarHBondContact OG-NH1 3.08Å; D107-R155 IonicContact OD2-CZ 2.7Å; D107-R155 IonicContact OD2-NH1 3.07Å; D107-R155 PolarHBondContact OD2-NH1 3.43Å
156	Y	98.6	Very high	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	168.1	-173.6	72.3	-82.8	0	0	0	113.4	L66 G77 L79 L101 L102 H104 V154 T158 F192 F193	L66-Y156 HydrophobicContact CD2-CE1 4.42Å; G77-Y156 PolarHBondContact N-O 2.88Å; G77-Y156 PolarHBondContact O-N 2.88Å; L79-Y156 HydrophobicContact CB-CE1 3.98Å; L101-Y156 HydrophobicContact CD2-CD2 3.31Å; L101-Y156 HydrophobicContact CD2-CE2 3.52Å; L101-Y156 HydrophobicContact CD2-CG 4.25Å; L102-Y156 CarbonylContact O-C 3.54Å; L102-Y156 WeakPolarHBondContact O-CA 3.31Å; L102-Y156 WeakPolarHBondContact O-CB 3.16Å; H104-Y156 VanDerWaalsContact CD2-CA 3.49Å; H104-Y156 WeakPolarHBondContact CD2-CA 3.37Å; V154-Y156 HydrophobicContact CG1-CD1 4.44Å; Y156-T158 HydrophobicContact CE2-CG2 4.15Å; Y156-F192 VanDerWaalsContact CE2-O 3.3Å; Y156-F192 WeakPolarHBondContact CE2-O 3.46Å; Y156-F192 PolarHBondContact OH-O 2.91Å; Y156-F192 VanDerWaalsContact OH-O 3.05Å; Y156-F193 VanDerWaalsContact OH-CB 3.28Å; Y156-F193 WeakPolarHBondContact OH-CB 3.23Å
157	T	98.5	Very high	94.1	Very high	19 Å²	19	32.7 Å²	32.7	12%	0.117	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.8	163.5	-59.2	0	0	0	0	109.1	E74 M75 S76 L102 H104	E74-T157 HydrophobicContact CB-CG2 3.96Å; M75-T157 CarbonylContact O-C 3.59Å; M75-T157 WeakPolarHBondContact O-CA 3.35Å; S76-T157 WeakPolarHBondContact CB-OG1 3.39Å; L102-T157 PolarHBondContact N-O 2.81Å; L102-T157 PolarHBondContact O-N 2.87Å; H104-T157 PolarHBondContact NE2-OG1 3.4Å
158	T	97.4	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.4	170.9	-171.2	0	0	0	0	110.8	E74 M75 Y156 I164 S191	E74-T158 CarbonylContact C-O 3.54Å; E74-T158 WeakPolarHBondContact CA-O 3.46Å; M75-T158 HydrophobicContact CB-CG2 3.93Å; M75-T158 HydrophobicContact CG-CG2 4.44Å; M75-T158 PolarHBondContact N-O 2.96Å; M75-T158 PolarHBondContact O-N 2.83Å; Y156-T158 HydrophobicContact CE2-CG2 4.15Å; T158-I164 HydrophobicContact CG2-CD1 3.38Å; T158-S191 PolarHBondContact OG1-O 2.94Å
159	T	94.5	Very high	94.8	Very high	59 Å²	59	30.7 Å²	30.7	36%	0.362	17%	0.167	S	C	.	.			trans	-129.6	-155.6	-176.8	55.1	0	0	0	0	110.7	K73 E74 G161	K73-T159 WeakPolarHBondContact O-CA 3.49Å; E74-T159 HydrophobicContact CB-CG2 4.09Å; T159-G161 PolarHBondContact O-N 2.82Å
160	D	85.5	Confident	94.7	Very high	83 Å²	83	31.8 Å²	31.8	44%	0.444	17%	0.17	S	C	.	.	S	Bend	trans	-53.7	127.9	167.5	-76.8	-48.6	0	0	0	110.7
161	G	89.6	Confident	94.7	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	17%	0.174	C	C	.	.			trans	-163	175.3	-178.6	0	0	0	0	0	110.8	T159 A163 I164	T159-G161 PolarHBondContact O-N 2.82Å; G161-A163 PolarHBondContact O-N 2.82Å; G161-A163 VanDerWaalsContact O-N 3.09Å; G161-I164 PolarHBondContact O-N 2.94Å; G161-I164 VanDerWaalsContact O-O 3.12Å
162	P	91.5	Very high	94.6	Very high	54 Å²	54	30.1 Å²	30.1	35%	0.351	16%	0.163	S	C	.	.	S	Bend	trans	-47.9	-42.4	-175.8	-31.4	35.4	0	0	0	114.5	H98 W165 C188	H98-P162 WeakPolarHBondContact CE1-CD 3.3Å; P162-W165 PolarHBondContact O-NE1 3.47Å; P162-W165 VanDerWaalsContact O-NE1 3.13Å; P162-C188 HydrophobicContact CB-CB 4.12Å
163	A	95	Very high	94.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-81.6	-29.5	177.3	0	0	0	0	0	114.7	G161 T182 Q183 C188 S191 F192	G161-A163 PolarHBondContact O-N 2.82Å; G161-A163 VanDerWaalsContact O-N 3.09Å; A163-T182 CarbonylContact O-C 3.58Å; A163-T182 WeakPolarHBondContact O-CA 3.31Å; A163-Q183 VanDerWaalsContact CA-O 3.28Å; A163-Q183 WeakPolarHBondContact CA-O 3.29Å; A163-Q183 WeakPolarHBondContact CB-O 3.41Å; A163-Q183 PolarHBondContact O-N 3.44Å; A163-C188 HydrophobicContact CB-CB 3.93Å; A163-C188 VanDerWaalsContact CB-O 3.31Å; A163-C188 WeakPolarHBondContact CB-O 3.26Å; A163-S191 WeakPolarHBondContact CB-OG 3.34Å; A163-S191 PolarHBondContact N-OG 3.08Å; A163-F192 HydrophobicContact CB-CB 4.23Å
164	I	95.7	Very high	94	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.6	-165.9	-47.2	-176.2	0	0	0	111.6	M75 T158 G161 V180 T182 F192	M75-I164 HydrophobicContact CE-CG2 3.89Å; T158-I164 HydrophobicContact CG2-CD1 3.38Å; G161-I164 PolarHBondContact O-N 2.94Å; G161-I164 VanDerWaalsContact O-O 3.12Å; I164-V180 HydrophobicContact CG2-CG2 3.69Å; I164-T182 HydrophobicContact CG1-CG2 4.49Å; I164-F192 HydrophobicContact CD1-CB 4.45Å; I164-F192 HydrophobicContact CD1-CD2 3.98Å; I164-F192 HydrophobicContact CG1-CB 4.41Å; I164-F192 HydrophobicContact CG1-CD2 4.48Å
165	W	94.9	Very high	93.6	Very high	32 Å²	32	37.9 Å²	37.9	12%	0.121	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	99.4	-174.3	-66.6	67	0	0	0	110.5	P162 V180 F181 P311 H647 N649	P162-W165 PolarHBondContact O-NE1 3.47Å; P162-W165 VanDerWaalsContact O-NE1 3.13Å; W165-V180 WeakPolarHBondContact O-CA 3.45Å; W165-F181 HydrophobicContact CB-CD1 4.13Å; W165-F181 HydrophobicContact CB-CD2 4.06Å; W165-F181 HydrophobicContact CB-CE1 3.63Å; W165-F181 HydrophobicContact CB-CE2 3.52Å; W165-F181 HydrophobicContact CB-CG 4.33Å; W165-F181 HydrophobicContact CB-CZ 3.29Å; W165-F181 AromaticContact CD1-CE2 3.69Å; W165-F181 HydrophobicContact CD2-CE2 4.05Å; W165-F181 AromaticContact CD2-CZ 3.84Å; W165-F181 HydrophobicContact CD2-CZ 3.84Å; W165-F181 HydrophobicContact CE3-CZ 4.07Å; W165-F181 HydrophobicContact CG-CD2 4.3Å; W165-F181 HydrophobicContact CG-CE1 4.32Å; W165-F181 AromaticContact CG-CE2 3.46Å; W165-F181 HydrophobicContact CG-CE2 3.46Å; W165-F181 VanDerWaalsContact CG-CE2 3.46Å; W165-F181 AromaticContact CG-CZ 3.48Å; W165-F181 HydrophobicContact CG-CZ 3.48Å; W165-F181 VanDerWaalsContact CG-CZ 3.48Å; W165-F181 PolarHBondContact N-O 2.8Å; W165-F181 PolarHBondContact O-N 2.98Å; W165-P311 HydrophobicContact CH2-CB 3.89Å; W165-P311 HydrophobicContact CH2-CG 4.28Å; W165-P311 HydrophobicContact CZ2-CB 3.95Å; W165-P311 HydrophobicContact CZ2-CG 3.93Å; W165-H647 AromaticContact CE3-CE1 3.19Å; W165-H647 AromaticContact CE3-ND1 3.59Å; W165-H647 AromaticContact CE3-NE2 3.68Å; W165-H647 AromaticContact CZ3-CE1 3.35Å; W165-H647 WeakPolarHBondContact CZ3-CE1 3.49Å; W165-H647 AromaticContact CZ3-ND1 3.34Å; W165-H647 VanDerWaalsContact CZ3-ND1 3.34Å; W165-H647 WeakPolarHBondContact CZ3-ND1 3.39Å; W165-N649 HydrophobicContact CH2-CB 4.39Å; W165-N649 HydrophobicContact CZ3-CB 4.48Å
166	W	95.1	Very high	93.1	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	102	-179.6	-70.4	96.1	0	0	0	112.8	L68 F70 K73 E74 M75 V180	L68-W166 HydrophobicContact CB-CH2 4.25Å; L68-W166 HydrophobicContact CG-CH2 4.2Å; F70-W166 HydrophobicContact CB-CZ3 4.31Å; F70-W166 HydrophobicContact CD1-CE3 4Å; F70-W166 AromaticContact CD1-CZ3 3.64Å; F70-W166 HydrophobicContact CD1-CZ3 3.64Å; F70-W166 HydrophobicContact CD2-CZ3 4.36Å; F70-W166 HydrophobicContact CE1-CE3 4.43Å; F70-W166 AromaticContact CE1-CZ3 3.99Å; F70-W166 HydrophobicContact CE1-CZ3 3.99Å; F70-W166 AromaticContact CG-CZ3 3.85Å; F70-W166 HydrophobicContact CG-CZ3 3.85Å; F70-W166 HydrophobicContact CZ-CZ3 4.48Å; K73-W166 VanDerWaalsContact C-CE2 3.4Å; K73-W166 HydrophobicContact CB-CB 4.01Å; K73-W166 HydrophobicContact CB-CD2 3.91Å; K73-W166 HydrophobicContact CB-CE3 4.48Å; K73-W166 HydrophobicContact CB-CG 3.69Å; K73-W166 HydrophobicContact CD-CB 3.64Å; K73-W166 HydrophobicContact CD-CG 4.28Å; K73-W166 HydrophobicContact CG-CB 3.8Å; K73-W166 HydrophobicContact CG-CD2 4.22Å; K73-W166 HydrophobicContact CG-CE3 4.44Å; K73-W166 HydrophobicContact CG-CG 3.97Å; K73-W166 PolarHBondContact NZ-O 3.37Å; K73-W166 PolarHBondContact O-NE1 2.86Å; K73-W166 VanDerWaalsContact O-NE1 3.15Å; E74-W166 VanDerWaalsContact C-CZ2 3.41Å; E74-W166 WeakPolarHBondContact O-CH2 3.46Å; E74-W166 VanDerWaalsContact O-CZ2 3.29Å; E74-W166 WeakPolarHBondContact O-CZ2 3.34Å; M75-W166 HydrophobicContact CE-CH2 4.31Å; M75-W166 HydrophobicContact CE-CZ2 3.89Å; M75-W166 HydrophobicContact CG-CH2 4.19Å; M75-W166 HydrophobicContact CG-CZ2 3.65Å; W166-V180 HydrophobicContact CD2-CB 3.95Å; W166-V180 HydrophobicContact CD2-CG2 3.63Å; W166-V180 HydrophobicContact CE3-CB 3.61Å; W166-V180 HydrophobicContact CE3-CG1 4.14Å; W166-V180 HydrophobicContact CE3-CG2 3.84Å; W166-V180 HydrophobicContact CG-CG2 4.06Å; W166-V180 HydrophobicContact CH2-CB 4.37Å; W166-V180 HydrophobicContact CH2-CG1 4.13Å; W166-V180 HydrophobicContact CH2-CG2 4.34Å; W166-V180 HydrophobicContact CZ2-CG2 4.16Å; W166-V180 HydrophobicContact CZ3-CB 3.83Å; W166-V180 HydrophobicContact CZ3-CG1 3.81Å; W166-V180 HydrophobicContact CZ3-CG2 4.17Å
167	L	94.5	Very high	92.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.9	178.9	-51	-174.6	0	0	0	111.5	L171 T172 P178 L179 F181 P307 S309	L167-L171 HydrophobicContact CB-CB 4.17Å; L167-L171 HydrophobicContact CD2-CB 4.37Å; L167-L171 HydrophobicContact CD2-CD1 4.26Å; L167-T172 HydrophobicContact CB-CG2 4.14Å; L167-T172 HydrophobicContact CD1-CG2 4.36Å; L167-P178 WeakPolarHBondContact O-CA 3.44Å; L167-P178 WeakPolarHBondContact O-CB 3.38Å; L167-L179 WeakPolarHBondContact CA-O 3.34Å; L167-L179 VanDerWaalsContact CB-O 3.3Å; L167-L179 WeakPolarHBondContact CB-O 2.99Å; L167-L179 HydrophobicContact CD1-CD2 3.99Å; L167-L179 PolarHBondContact N-O 3.47Å; L167-L179 PolarHBondContact O-N 3.12Å; L167-F181 HydrophobicContact CD1-CD1 4.37Å; L167-F181 HydrophobicContact CD1-CE1 4.08Å; L167-F181 HydrophobicContact CD2-CE1 4.37Å; L167-F181 HydrophobicContact CG-CE1 4.3Å; L167-P307 HydrophobicContact CD1-CB 3.8Å; L167-P307 HydrophobicContact CD1-CG 3.59Å; L167-S309 WeakPolarHBondContact CD1-OG 3.34Å; L167-S309 VanDerWaalsContact CD2-OG 3.26Å; L167-S309 WeakPolarHBondContact CD2-OG 3.35Å
168	D	93.4	Very high	92.6	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.364	24%	0.243	S	C	.	.			trans	-68.3	160.3	162.1	-56.1	-62.4	0	0	0	109.9	K73 E170 L171	K73-D168 WeakPolarHBondContact CE-OD1 3.3Å; K73-D168 IonicContact NZ-OD1 3.57Å; K73-D168 PolarHBondContact NZ-OD1 2.76Å; K73-D168 IonicContact NZ-OD2 3.13Å; K73-D168 PolarHBondContact NZ-OD2 2.91Å; D168-E170 PolarHBondContact O-N 3.27Å; D168-E170 VanDerWaalsContact O-N 3.15Å; D168-L171 WeakPolarHBondContact O-CB 3.37Å; D168-L171 PolarHBondContact O-N 2.9Å
169	S	93.1	Very high	92.6	Very high	50 Å²	50	42.7 Å²	42.7	35%	0.35	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-59.3	-31.2	-175.2	59	0	0	0	0	113.3	L171 T172 Q175	S169-L171 PolarHBondContact O-N 3.04Å; S169-T172 PolarHBondContact O-N 3.38Å; S169-T172 PolarHBondContact O-OG1 2.95Å; S169-T172 VanDerWaalsContact O-OG1 3.06Å; S169-Q175 CarbonylContact O-C 3.57Å; S169-Q175 VanDerWaalsContact O-CA 3.24Å; S169-Q175 WeakPolarHBondContact O-CA 3.11Å
170	E	91.5	Very high	92.7	Very high	89 Å²	89	39.9 Å²	39.9	42%	0.416	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-66.1	-5.8	176	64.3	177.4	-159.5	0	0	115	D168	D168-E170 PolarHBondContact O-N 3.27Å; D168-E170 VanDerWaalsContact O-N 3.15Å
171	L	92.3	Very high	93.3	Very high	18 Å²	18	36 Å²	36	9%	0.094	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-108.2	-5.8	177.8	-55	-179	0	0	0	113.8	L167 D168 S169 R645 H647	L167-L171 HydrophobicContact CB-CB 4.17Å; L167-L171 HydrophobicContact CD2-CB 4.37Å; L167-L171 HydrophobicContact CD2-CD1 4.26Å; D168-L171 WeakPolarHBondContact O-CB 3.37Å; D168-L171 PolarHBondContact O-N 2.9Å; S169-L171 PolarHBondContact O-N 3.04Å; L171-R645 VanDerWaalsContact CD2-C 3.5Å; L171-R645 WeakPolarHBondContact CD2-O 3.47Å; L171-H647 HydrophobicContact CD1-CB 4.45Å
172	T	93.8	Very high	93.7	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.037	20%	0.196	C	C	.	.	S	Bend	trans	-91.1	158.2	178	61.9	0	0	0	0	111.9	L167 S169 G174 Q175 R177 L179 E267 P307	L167-T172 HydrophobicContact CB-CG2 4.14Å; L167-T172 HydrophobicContact CD1-CG2 4.36Å; S169-T172 PolarHBondContact O-N 3.38Å; S169-T172 PolarHBondContact O-OG1 2.95Å; S169-T172 VanDerWaalsContact O-OG1 3.06Å; T172-G174 PolarHBondContact O-N 3.38Å; T172-Q175 WeakPolarHBondContact O-CG 3.49Å; T172-Q175 PolarHBondContact O-N 3.11Å; T172-R177 VanDerWaalsContact CG2-O 3.26Å; T172-R177 WeakPolarHBondContact CG2-O 3.4Å; T172-R177 PolarHBondContact OG1-O 3.3Å; T172-L179 HydrophobicContact CG2-CB 3.69Å; T172-E267 WeakPolarHBondContact CB-OE2 3.27Å; T172-P307 HydrophobicContact CG2-CG 4.44Å
173	C	91.6	Very high	93.9	Very high	36 Å²	36	32.9 Å²	32.9	24%	0.243	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.4	-172.9	-59.1	0	0	0	0	113	E267 C269 L270	C173-E267 VanDerWaalsContact CB-OE1 3.23Å; C173-E267 WeakPolarHBondContact CB-OE1 3.36Å; C173-E267 VanDerWaalsContact N-CD 3.31Å; C173-E267 PolarHBondContact N-OE1 3.05Å; C173-E267 PolarHBondContact N-OE2 3.33Å; C173-E267 VanDerWaalsContact N-OE2 3.08Å; C173-E267 PolarHBondContact SG-OE1 3.02Å; C173-E267 VanDerWaalsContact SG-OE1 3.4Å; C173-C269 VanDerWaalsContact C-SG 3.57Å; C173-L270 HydrophobicContact CB-CD1 3.86Å; C173-L270 HydrophobicContact CB-CG 4.22Å
174	G	89.6	Confident	93.8	Very high	36 Å²	36	33 Å²	33	37%	0.371	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11	174.8	0	0	0	0	0	114	T172 S176 E267 C269	T172-G174 PolarHBondContact O-N 3.38Å; G174-S176 PolarHBondContact O-N 3.18Å; G174-E267 PolarHBondContact N-OE2 3.35Å; G174-C269 PolarHBondContact N-SG 3.49Å
175	Q	90.9	Very high	93.6	Very high	119 Å²	119	33.3 Å²	33.3	56%	0.556	18%	0.184	S	C	*	.	S	Bend	trans	54.4	17.7	-174	-64.4	172.8	47.2	0	0	115	S169 T172	S169-Q175 CarbonylContact O-C 3.57Å; S169-Q175 VanDerWaalsContact O-CA 3.24Å; S169-Q175 WeakPolarHBondContact O-CA 3.11Å; T172-Q175 WeakPolarHBondContact O-CG 3.49Å; T172-Q175 PolarHBondContact O-N 3.11Å
176	S	87.1	Confident	93.4	Very high	64 Å²	64	31.8 Å²	31.8	45%	0.448	18%	0.178	S	C	.	.	S	Bend	trans	-96.1	-43.2	-167.3	54.3	0	0	0	0	114	G174 E252	G174-S176 PolarHBondContact O-N 3.18Å; S176-E252 WeakPolarHBondContact CB-OE2 3.26Å; S176-E252 PolarHBondContact OG-OE2 3.11Å
177	R	92.9	Very high	93.3	Very high	101 Å²	101	31.7 Å²	31.7	38%	0.381	18%	0.178	S	C	.	.	S	Bend	trans	-141.4	155.5	-173.7	-66.8	-162.2	-159.8	-142.4	-5.2	111.1	T172 G214 E252	T172-R177 VanDerWaalsContact CG2-O 3.26Å; T172-R177 WeakPolarHBondContact CG2-O 3.4Å; T172-R177 PolarHBondContact OG1-O 3.3Å; R177-G214 PolarHBondContact NH1-O 2.85Å; R177-E252 HydrophobicContact CB-CB 4.25Å; R177-E252 HydrophobicContact CG-CB 4.39Å; R177-E252 WeakPolarHBondContact CG-OE2 3.49Å; R177-E252 IonicContact CZ-OE1 3.8Å; R177-E252 IonicContact NE-OE1 3.37Å; R177-E252 PolarHBondContact NE-OE1 2.8Å; R177-E252 IonicContact NE-OE2 3.21Å; R177-E252 IonicContact NH2-OE1 2.76Å; R177-E252 PolarHBondContact NH2-OE1 3.37Å
178	P	95.3	Very high	93.4	Very high	51 Å²	51	32.6 Å²	32.6	33%	0.331	18%	0.184	S	C	.	.			trans	-68.2	158.4	169.9	32.2	-37.2	0	0	0	111.3	F70 L167	F70-P178 HydrophobicContact CB-CG 4.35Å; F70-P178 HydrophobicContact CD1-CB 3.95Å; F70-P178 HydrophobicContact CD1-CG 3.89Å; F70-P178 HydrophobicContact CG-CG 4.34Å; L167-P178 WeakPolarHBondContact O-CA 3.44Å; L167-P178 WeakPolarHBondContact O-CB 3.38Å
179	L	96.6	Very high	93.6	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147	178.5	-179.1	147.9	0	0	0	108.8	L167 T172 F181 V249 A250 L253 P307	L167-L179 WeakPolarHBondContact CA-O 3.34Å; L167-L179 VanDerWaalsContact CB-O 3.3Å; L167-L179 WeakPolarHBondContact CB-O 2.99Å; L167-L179 HydrophobicContact CD1-CD2 3.99Å; L167-L179 PolarHBondContact N-O 3.47Å; L167-L179 PolarHBondContact O-N 3.12Å; T172-L179 HydrophobicContact CG2-CB 3.69Å; L179-F181 HydrophobicContact CD2-CB 4.34Å; L179-F181 HydrophobicContact CD2-CD1 3.85Å; L179-V249 HydrophobicContact CD1-CG2 4.44Å; L179-V249 HydrophobicContact CD2-CG2 4.18Å; L179-V249 HydrophobicContact CG-CG2 4.37Å; L179-A250 WeakPolarHBondContact CA-O 3.35Å; L179-L253 HydrophobicContact CD1-CD2 4.31Å; L179-P307 HydrophobicContact CD1-CG 4.48Å
180	V	97.3	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.1	168.7	62	0	0	0	0	109.5	L68 F70 M75 I164 W165 W166 V249 A250	L68-V180 HydrophobicContact CD2-CG1 3.78Å; F70-V180 HydrophobicContact CE1-CB 4.31Å; F70-V180 HydrophobicContact CE1-CG1 3.89Å; F70-V180 HydrophobicContact CZ-CG1 3.96Å; M75-V180 HydrophobicContact CE-CG1 4.1Å; M75-V180 HydrophobicContact CE-CG2 3.66Å; I164-V180 HydrophobicContact CG2-CG2 3.69Å; W165-V180 WeakPolarHBondContact O-CA 3.45Å; W166-V180 HydrophobicContact CD2-CB 3.95Å; W166-V180 HydrophobicContact CD2-CG2 3.63Å; W166-V180 HydrophobicContact CE3-CB 3.61Å; W166-V180 HydrophobicContact CE3-CG1 4.14Å; W166-V180 HydrophobicContact CE3-CG2 3.84Å; W166-V180 HydrophobicContact CG-CG2 4.06Å; W166-V180 HydrophobicContact CH2-CB 4.37Å; W166-V180 HydrophobicContact CH2-CG1 4.13Å; W166-V180 HydrophobicContact CH2-CG2 4.34Å; W166-V180 HydrophobicContact CZ2-CG2 4.16Å; W166-V180 HydrophobicContact CZ3-CB 3.83Å; W166-V180 HydrophobicContact CZ3-CG1 3.81Å; W166-V180 HydrophobicContact CZ3-CG2 4.17Å; V180-V249 CarbonylContact O-C 3.54Å; V180-V249 WeakPolarHBondContact O-CA 3.35Å; V180-A250 HydrophobicContact CG1-CB 3.93Å; V180-A250 PolarHBondContact N-O 3.49Å; V180-A250 PolarHBondContact O-N 2.84Å
181	F	97.8	Very high	94.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	160.1	170.3	67.4	-96.1	0	0	0	110.1	W165 L167 L179 L248 V249 L306 F310 F322	W165-F181 HydrophobicContact CB-CD1 4.13Å; W165-F181 HydrophobicContact CB-CD2 4.06Å; W165-F181 HydrophobicContact CB-CE1 3.63Å; W165-F181 HydrophobicContact CB-CE2 3.52Å; W165-F181 HydrophobicContact CB-CG 4.33Å; W165-F181 HydrophobicContact CB-CZ 3.29Å; W165-F181 AromaticContact CD1-CE2 3.69Å; W165-F181 HydrophobicContact CD2-CE2 4.05Å; W165-F181 AromaticContact CD2-CZ 3.84Å; W165-F181 HydrophobicContact CD2-CZ 3.84Å; W165-F181 HydrophobicContact CE3-CZ 4.07Å; W165-F181 HydrophobicContact CG-CD2 4.3Å; W165-F181 HydrophobicContact CG-CE1 4.32Å; W165-F181 AromaticContact CG-CE2 3.46Å; W165-F181 HydrophobicContact CG-CE2 3.46Å; W165-F181 VanDerWaalsContact CG-CE2 3.46Å; W165-F181 AromaticContact CG-CZ 3.48Å; W165-F181 HydrophobicContact CG-CZ 3.48Å; W165-F181 VanDerWaalsContact CG-CZ 3.48Å; W165-F181 PolarHBondContact N-O 2.8Å; W165-F181 PolarHBondContact O-N 2.98Å; L167-F181 HydrophobicContact CD1-CD1 4.37Å; L167-F181 HydrophobicContact CD1-CE1 4.08Å; L167-F181 HydrophobicContact CD2-CE1 4.37Å; L167-F181 HydrophobicContact CG-CE1 4.3Å; L179-F181 HydrophobicContact CD2-CB 4.34Å; L179-F181 HydrophobicContact CD2-CD1 3.85Å; F181-L248 CarbonylContact C-O 3.59Å; F181-L248 WeakPolarHBondContact CA-O 3.34Å; F181-V249 HydrophobicContact CB-CB 4.24Å; F181-V249 HydrophobicContact CB-CG2 4.1Å; F181-L306 HydrophobicContact CB-CD1 4Å; F181-L306 HydrophobicContact CB-CD2 4.21Å; F181-L306 HydrophobicContact CD1-CD1 4.37Å; F181-L306 HydrophobicContact CD2-CD1 4.11Å; F181-L306 HydrophobicContact CG-CD1 3.9Å; F181-F310 AromaticContact CD2-CD2 3.89Å; F181-F310 HydrophobicContact CD2-CD2 3.89Å; F181-F310 HydrophobicContact CD2-CE2 4.2Å; F181-F310 AromaticContact CE2-CD2 3.53Å; F181-F310 HydrophobicContact CE2-CD2 3.53Å; F181-F310 HydrophobicContact CE2-CE2 4.11Å; F181-F310 HydrophobicContact CZ-CB 4.45Å; F181-F310 AromaticContact CZ-CD2 3.97Å; F181-F310 HydrophobicContact CZ-CD2 3.97Å; F181-F322 HydrophobicContact CB-CE2 4.42Å
182	T	97.6	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.1	171.8	61.9	0	0	0	0	111.8	A163 I164 F192 A247 L248 F322	A163-T182 CarbonylContact O-C 3.58Å; A163-T182 WeakPolarHBondContact O-CA 3.31Å; I164-T182 HydrophobicContact CG1-CG2 4.49Å; T182-F192 HydrophobicContact CG2-CD1 4.16Å; T182-F192 HydrophobicContact CG2-CD2 4.4Å; T182-F192 HydrophobicContact CG2-CE1 4.17Å; T182-F192 HydrophobicContact CG2-CE2 4.41Å; T182-F192 HydrophobicContact CG2-CG 4.3Å; T182-F192 HydrophobicContact CG2-CZ 4.3Å; T182-A247 WeakPolarHBondContact OG1-CA 3.36Å; T182-L248 HydrophobicContact CG2-CB 4.12Å; T182-L248 PolarHBondContact N-O 3.02Å; T182-L248 PolarHBondContact OG1-N 2.82Å; T182-L248 PolarHBondContact OG1-O 3.19Å; T182-F322 WeakPolarHBondContact O-CE2 3.45Å
183	Q	95.4	Very high	94.6	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.037	12%	0.124	C	C	.	.			trans	-127	107.6	168.3	176.8	53.4	28	0	0	109.3	A163 C188 P311 I312 M315	A163-Q183 VanDerWaalsContact CA-O 3.28Å; A163-Q183 WeakPolarHBondContact CA-O 3.29Å; A163-Q183 WeakPolarHBondContact CB-O 3.41Å; A163-Q183 PolarHBondContact O-N 3.44Å; Q183-C188 VanDerWaalsContact O-CB 3.31Å; Q183-C188 WeakPolarHBondContact O-CB 3.5Å; Q183-P311 HydrophobicContact CG-CG 4.3Å; Q183-I312 HydrophobicContact CG-CD1 4.37Å; Q183-I312 VanDerWaalsContact NE2-CD1 3.3Å; Q183-M315 PolarHBondContact NE2-SD 2.9Å
184	G	93.4	Very high	94.9	Very high	1 Å²	1	20 Å²	20	1%	0.01	11%	0.113	C	C	.	.			trans	-87.1	-31.1	-172.3	0	0	0	0	0	114.9	S186 C188 N189 Y244	G184-S186 CarbonylContact O-C 3.56Å; G184-C188 WeakPolarHBondContact O-CB 3.47Å; G184-C188 PolarHBondContact O-N 2.86Å; G184-N189 VanDerWaalsContact CA-CG 3.45Å; G184-N189 WeakPolarHBondContact CA-OD1 3.4Å; G184-N189 PolarHBondContact O-N 2.99Å; G184-Y244 CarbonylContact C-O 3.49Å; G184-Y244 VanDerWaalsContact CA-O 3.31Å; G184-Y244 WeakPolarHBondContact CA-O 3.28Å
185	H	91.8	Very high	95.3	Very high	11 Å²	11	18.5 Å²	18.5	5%	0.051	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	137.4	-177.2	-172.1	-111.7	0	0	0	112.5	Y244 M315 W356 M426	H185-Y244 HydrophobicContact CB-CD2 3.82Å; H185-Y244 HydrophobicContact CB-CE2 4.39Å; H185-Y244 AromaticContact CD2-CD2 3.58Å; H185-Y244 AromaticContact CD2-CE2 3.65Å; H185-M315 HydrophobicContact CB-CE 3.69Å; H185-M315 HydrophobicContact CB-SD 3.6Å; H185-M315 VanDerWaalsContact CB-SD 3.6Å; H185-W356 AromaticContact CD2-CH2 3.56Å; H185-W356 AromaticContact CD2-CZ3 3.52Å; H185-W356 AromaticContact NE2-CE3 3.98Å; H185-W356 AromaticContact NE2-CH2 3.75Å; H185-W356 AromaticContact NE2-CZ3 3.16Å; H185-W356 WeakPolarHBondContact NE2-CZ3 3.29Å; H185-M426 PolarHBondContact CE1-SD 2.87Å; H185-M426 PolarHBondContact ND1-SD 3.37Å
186	S	89.8	Confident	95.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.1	-49.4	-4.5	-51.5	0	0	0	0	112.8	G184 Y244 W356	G184-S186 CarbonylContact O-C 3.56Å; S186-Y244 WeakPolarHBondContact O-CB 3.28Å; S186-W356 WeakPolarHBondContact O-CZ2 3.28Å
187	V	94.4	Very high	96.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	39.4	-173.6	-69.4	0	0	0	0	111.5	A49 Y131 R190 D197 W356 P422	A49-V187 HydrophobicContact CB-CG1 4.13Å; Y131-V187 HydrophobicContact CD2-CG2 3.69Å; Y131-V187 HydrophobicContact CE2-CG2 3.86Å; V187-R190 WeakPolarHBondContact O-CD 3.4Å; V187-R190 WeakPolarHBondContact O-CG 3.42Å; V187-R190 PolarHBondContact O-NE 2.86Å; V187-D197 WeakPolarHBondContact CA-OD2 3.18Å; V187-W356 HydrophobicContact CG1-CZ2 4.29Å; V187-W356 VanDerWaalsContact CG1-NE1 3.27Å; V187-P422 HydrophobicContact CG1-CG 4.19Å; V187-P422 HydrophobicContact CG2-CG 4.08Å
188	C	95.9	Very high	96.3	Very high	20 Å²	20	5.3 Å²	5.3	14%	0.135	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-25.7	-177	-64.8	0	0	0	0	112.3	P162 A163 Q183 G184 R190 S191	P162-C188 HydrophobicContact CB-CB 4.12Å; A163-C188 HydrophobicContact CB-CB 3.93Å; A163-C188 VanDerWaalsContact CB-O 3.31Å; A163-C188 WeakPolarHBondContact CB-O 3.26Å; Q183-C188 VanDerWaalsContact O-CB 3.31Å; Q183-C188 WeakPolarHBondContact O-CB 3.5Å; G184-C188 WeakPolarHBondContact O-CB 3.47Å; G184-C188 PolarHBondContact O-N 2.86Å; C188-R190 PolarHBondContact O-N 2.81Å; C188-S191 WeakPolarHBondContact O-CB 3.43Å; C188-S191 PolarHBondContact O-N 3.27Å; C188-S191 PolarHBondContact O-OG 3.43Å
189	N	97.4	Very high	96.3	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.016	C	C	.	.	G	3₁₀ helix	trans	-69.6	-16.7	-172.5	-99.3	-6.3	0	0	0	114.6	G184 S191 F192 F193 S243 V246	G184-N189 VanDerWaalsContact CA-CG 3.45Å; G184-N189 WeakPolarHBondContact CA-OD1 3.4Å; G184-N189 PolarHBondContact O-N 2.99Å; N189-S191 PolarHBondContact O-N 2.7Å; N189-F192 PolarHBondContact O-N 2.92Å; N189-F193 HydrophobicContact CB-CE1 4.38Å; N189-F193 PolarHBondContact O-N 3.41Å; N189-F193 VanDerWaalsContact O-O 3.07Å; N189-S243 PolarHBondContact ND2-O 3.32Å; N189-V246 PolarHBondContact ND2-O 2.92Å
190	R	97.4	Very high	96.3	Very high	1 Å²	1	3.9 Å²	3.9	0%	0.004	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-54.9	-9.9	159.7	67.1	-173	64.7	-172.3	-3.4	115.3	A49 D96 S97 H98 L101 V187 C188 D197	A49-R190 VanDerWaalsContact O-CZ 3.31Å; A49-R190 PolarHBondContact O-NH1 2.74Å; A49-R190 PolarHBondContact O-NH2 3.42Å; D96-R190 HydrophobicContact CB-CB 3.81Å; D96-R190 IonicContact OD1-CZ 3.2Å; D96-R190 IonicContact OD1-NH1 3.95Å; D96-R190 IonicContact OD1-NH2 2.98Å; S97-R190 CarbonylContact C-O 3.52Å; S97-R190 VanDerWaalsContact CA-O 3.29Å; S97-R190 WeakPolarHBondContact CA-O 3.19Å; H98-R190 WeakPolarHBondContact CB-O 3.48Å; H98-R190 PolarHBondContact N-O 3.23Å; H98-R190 VanDerWaalsContact N-O 3.12Å; L101-R190 WeakPolarHBondContact CD1-O 3.45Å; V187-R190 WeakPolarHBondContact O-CD 3.4Å; V187-R190 WeakPolarHBondContact O-CG 3.42Å; V187-R190 PolarHBondContact O-NE 2.86Å; C188-R190 PolarHBondContact O-N 2.81Å; R190-D197 HydrophobicContact CB-CB 3.96Å; R190-D197 VanDerWaalsContact CB-OD2 3.28Å; R190-D197 WeakPolarHBondContact CB-OD2 3.45Å; R190-D197 VanDerWaalsContact CG-OD2 3.32Å; R190-D197 WeakPolarHBondContact CG-OD2 3.3Å; R190-D197 IonicContact CZ-OD2 3.26Å; R190-D197 PolarHBondContact N-OD2 3.2Å; R190-D197 IonicContact NE-OD2 2.69Å; R190-D197 PolarHBondContact NE-OD2 3.02Å; R190-D197 PolarHBondContact NH2-O 3.01Å; R190-D197 IonicContact NH2-OD2 2.85Å
191	S	97.3	Very high	96.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-100.6	-13.8	170.4	69	0	0	0	0	114.6	T158 A163 C188 N189	T158-S191 PolarHBondContact OG1-O 2.94Å; A163-S191 WeakPolarHBondContact CB-OG 3.34Å; A163-S191 PolarHBondContact N-OG 3.08Å; C188-S191 WeakPolarHBondContact O-CB 3.43Å; C188-S191 PolarHBondContact O-N 3.27Å; C188-S191 PolarHBondContact O-OG 3.43Å; N189-S191 PolarHBondContact O-N 2.7Å
192	F	98.2	Very high	96.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-41.8	173.3	178.4	-150.8	0	0	0	111.6	L64 L66 M75 Y156 A163 I164 T182 N189 V246 L248	L64-F192 HydrophobicContact CD1-CE1 4.37Å; L64-F192 HydrophobicContact CD1-CZ 4.37Å; L66-F192 HydrophobicContact CD1-CE2 3.74Å; L66-F192 HydrophobicContact CD1-CZ 4.03Å; M75-F192 HydrophobicContact SD-CD2 4.48Å; M75-F192 HydrophobicContact SD-CE2 3.83Å; Y156-F192 VanDerWaalsContact CE2-O 3.3Å; Y156-F192 WeakPolarHBondContact CE2-O 3.46Å; Y156-F192 PolarHBondContact OH-O 2.91Å; Y156-F192 VanDerWaalsContact OH-O 3.05Å; A163-F192 HydrophobicContact CB-CB 4.23Å; I164-F192 HydrophobicContact CD1-CB 4.45Å; I164-F192 HydrophobicContact CD1-CD2 3.98Å; I164-F192 HydrophobicContact CG1-CB 4.41Å; I164-F192 HydrophobicContact CG1-CD2 4.48Å; T182-F192 HydrophobicContact CG2-CD1 4.16Å; T182-F192 HydrophobicContact CG2-CD2 4.4Å; T182-F192 HydrophobicContact CG2-CE1 4.17Å; T182-F192 HydrophobicContact CG2-CE2 4.41Å; T182-F192 HydrophobicContact CG2-CG 4.3Å; T182-F192 HydrophobicContact CG2-CZ 4.3Å; N189-F192 PolarHBondContact O-N 2.92Å; F192-V246 HydrophobicContact CE1-CG1 4.42Å; F192-L248 HydrophobicContact CZ-CB 4.27Å; F192-L248 HydrophobicContact CZ-CD1 4.39Å
193	F	98.5	Very high	96.2	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.009	4%	0.039	C	C	.	.	S	Bend	trans	-154.5	147.8	173.3	61.8	-76.9	0	0	0	110.8	F62 L64 L79 Y156 N189 C195 V246	F62-F193 HydrophobicContact CD2-CE2 4.21Å; F62-F193 AromaticContact CE2-CE2 3.76Å; F62-F193 HydrophobicContact CE2-CE2 3.76Å; F62-F193 AromaticContact CE2-CZ 3.87Å; F62-F193 HydrophobicContact CE2-CZ 3.87Å; F62-F193 AromaticContact CZ-CE2 3.94Å; F62-F193 HydrophobicContact CZ-CE2 3.94Å; F62-F193 AromaticContact CZ-CZ 3.81Å; F62-F193 HydrophobicContact CZ-CZ 3.81Å; L64-F193 HydrophobicContact CD1-CD1 4.21Å; L64-F193 HydrophobicContact CD1-CE1 4.37Å; L64-F193 HydrophobicContact CD1-CG 4.48Å; L64-F193 HydrophobicContact CD2-CB 3.91Å; L64-F193 HydrophobicContact CD2-CD2 4.29Å; L64-F193 HydrophobicContact CD2-CG 4.02Å; L79-F193 HydrophobicContact CD1-CD2 4.05Å; L79-F193 HydrophobicContact CD2-CD2 4.16Å; Y156-F193 VanDerWaalsContact OH-CB 3.28Å; Y156-F193 WeakPolarHBondContact OH-CB 3.23Å; N189-F193 HydrophobicContact CB-CE1 4.38Å; N189-F193 PolarHBondContact O-N 3.41Å; N189-F193 VanDerWaalsContact O-O 3.07Å; F193-C195 HydrophobicContact CD2-CB 3.7Å; F193-C195 HydrophobicContact CE2-CB 3.5Å; F193-C195 VanDerWaalsContact CE2-CB 3.5Å; F193-C195 HydrophobicContact CZ-CB 4.27Å; F193-C195 PolarHBondContact O-N 2.94Å; F193-V246 HydrophobicContact CE1-CB 4.1Å; F193-V246 HydrophobicContact CE1-CG1 3.91Å; F193-V246 HydrophobicContact CZ-CB 4.19Å; F193-V246 HydrophobicContact CZ-CG1 4.14Å; F193-V246 HydrophobicContact CZ-CG2 4.21Å
194	P	98.2	Very high	96.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.			trans	-66.5	127	174.7	-15.1	27.7	0	0	0	110.8	L79 L95 D96 L101 I103 L135 V154	L79-P194 WeakPolarHBondContact CD2-O 3.44Å; L95-P194 HydrophobicContact CB-CB 4.38Å; L95-P194 HydrophobicContact CD1-CB 4.06Å; D96-P194 VanDerWaalsContact O-CA 3.28Å; D96-P194 WeakPolarHBondContact O-CA 3.47Å; L101-P194 HydrophobicContact CD1-CG 4.07Å; I103-P194 HydrophobicContact CD1-CG 3.88Å; L135-P194 HydrophobicContact CD2-CB 3.68Å; L135-P194 HydrophobicContact CD2-CG 4.02Å; V154-P194 HydrophobicContact CG1-CG 4.25Å
195	C	98.1	Very high	96.6	Very high	5 Å²	5	7.7 Å²	7.7	3%	0.034	5%	0.047	C	C	.	.	B	Isolated β-bridge	trans	-152.5	-177.9	-170.2	63.9	0	0	0	0	113.3	L95 D96 F193 D197	L95-C195 CarbonylContact C-O 3.59Å; L95-C195 WeakPolarHBondContact CA-O 3.4Å; D96-C195 PolarHBondContact N-O 2.88Å; D96-C195 PolarHBondContact O-N 3.12Å; D96-C195 VanDerWaalsContact O-N 3.08Å; F193-C195 HydrophobicContact CD2-CB 3.7Å; F193-C195 HydrophobicContact CE2-CB 3.5Å; F193-C195 VanDerWaalsContact CE2-CB 3.5Å; F193-C195 HydrophobicContact CZ-CB 4.27Å; F193-C195 PolarHBondContact O-N 2.94Å; C195-D197 PolarHBondContact O-N 2.89Å; C195-D197 VanDerWaalsContact SG-CB 3.57Å
196	F	97.9	Very high	96.9	Very high	5 Å²	5	8.1 Å²	8.1	2%	0.022	5%	0.051	C	C	.	.			trans	-85.5	94	160.8	-62.3	-49	0	0	0	106.6	F54 F57 L59 L83 L93 L95 T198 V201 S243	F54-F196 HydrophobicContact CB-CB 4.23Å; F54-F196 HydrophobicContact CB-CD1 3.71Å; F54-F196 HydrophobicContact CB-CD2 4.4Å; F54-F196 HydrophobicContact CB-CE1 4.1Å; F54-F196 HydrophobicContact CB-CG 3.88Å; F57-F196 HydrophobicContact CB-CE2 4.32Å; F57-F196 HydrophobicContact CB-CZ 4.01Å; F57-F196 HydrophobicContact CD2-CZ 4.19Å; F57-F196 HydrophobicContact CG-CZ 4.41Å; L59-F196 HydrophobicContact CB-CD2 4.15Å; L59-F196 HydrophobicContact CB-CE2 4.11Å; L59-F196 HydrophobicContact CD2-CD2 4.08Å; L83-F196 HydrophobicContact CD2-CE2 3.63Å; L83-F196 HydrophobicContact CD2-CZ 4.01Å; L93-F196 HydrophobicContact CD1-CE1 3.88Å; L93-F196 HydrophobicContact CD1-CZ 3.65Å; L95-F196 HydrophobicContact CD2-CD1 3.85Å; L95-F196 HydrophobicContact CD2-CE1 3.68Å; L95-F196 HydrophobicContact CD2-CG 4.45Å; L95-F196 HydrophobicContact CD2-CZ 4.14Å; F196-T198 HydrophobicContact CB-CG2 4.39Å; F196-T198 PolarHBondContact O-N 3.19Å; F196-V201 HydrophobicContact CB-CB 4.15Å; F196-V201 HydrophobicContact CB-CG1 4.13Å; F196-V201 HydrophobicContact CB-CG2 3.98Å; F196-V201 HydrophobicContact CD2-CG1 4.07Å; F196-V201 HydrophobicContact CG-CG2 4.44Å; F196-S243 PolarHBondContact O-OG 3.18Å
197	D	97.3	Very high	97.3	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.051	C	C	.	.			trans	-92.5	60.4	-168.1	-155.6	37.9	0	0	0	110.9	D96 V187 R190 C195 S243	D96-D197 HydrophobicContact CB-CB 3.61Å; D96-D197 PolarHBondContact OD2-N 3.46Å; V187-D197 WeakPolarHBondContact CA-OD2 3.18Å; R190-D197 HydrophobicContact CB-CB 3.96Å; R190-D197 VanDerWaalsContact CB-OD2 3.28Å; R190-D197 WeakPolarHBondContact CB-OD2 3.45Å; R190-D197 VanDerWaalsContact CG-OD2 3.32Å; R190-D197 WeakPolarHBondContact CG-OD2 3.3Å; R190-D197 IonicContact CZ-OD2 3.26Å; R190-D197 PolarHBondContact N-OD2 3.2Å; R190-D197 IonicContact NE-OD2 2.69Å; R190-D197 PolarHBondContact NE-OD2 3.02Å; R190-D197 PolarHBondContact NH2-O 3.01Å; R190-D197 IonicContact NH2-OD2 2.85Å; C195-D197 PolarHBondContact O-N 2.89Å; C195-D197 VanDerWaalsContact SG-CB 3.57Å; D197-S243 WeakPolarHBondContact CA-OG 3.4Å; D197-S243 PolarHBondContact OD1-OG 2.95Å
198	T	96.3	Very high	97.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-143.3	139.3	-174.7	172.5	0	0	0	0	109.9	D47 F54 F196 A200 V201	D47-T198 WeakPolarHBondContact CB-OG1 3.38Å; D47-T198 WeakPolarHBondContact OD2-CA 3.42Å; D47-T198 WeakPolarHBondContact OD2-CB 3.46Å; D47-T198 PolarHBondContact OD2-OG1 3Å; F54-T198 HydrophobicContact CD1-CG2 3.94Å; F54-T198 HydrophobicContact CE1-CG2 4.16Å; F54-T198 HydrophobicContact CG-CG2 4.13Å; F196-T198 HydrophobicContact CB-CG2 4.39Å; F196-T198 PolarHBondContact O-N 3.19Å; T198-A200 HydrophobicContact CG2-CB 4.31Å; T198-A200 PolarHBondContact O-N 3.07Å; T198-A200 WeakPolarHBondContact OG1-CB 3.32Å; T198-A200 PolarHBondContact OG1-N 3.09Å; T198-V201 HydrophobicContact CG2-CB 4.35Å; T198-V201 HydrophobicContact CG2-CG2 3.85Å; T198-V201 PolarHBondContact O-N 3Å
199	P	95.9	Very high	97.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.8	179.8	33.5	-35.7	0	0	0	112.3	D47 V201 P242 Y244 T352 N353 W356 S463	D47-P199 WeakPolarHBondContact OD2-CD 3.44Å; P199-V201 PolarHBondContact O-N 2.85Å; P199-P242 HydrophobicContact CB-CB 4.48Å; P199-Y244 HydrophobicContact CB-CD1 4.29Å; P199-Y244 HydrophobicContact CB-CE1 4.1Å; P199-T352 HydrophobicContact CB-CG2 3.8Å; P199-N353 WeakPolarHBondContact CB-O 3.3Å; P199-N353 WeakPolarHBondContact CG-O 3.11Å; P199-W356 HydrophobicContact CB-CH2 4.26Å; P199-W356 HydrophobicContact CB-CZ2 4.24Å; P199-W356 HydrophobicContact CG-CD2 4.24Å; P199-W356 HydrophobicContact CG-CH2 4.15Å; P199-W356 HydrophobicContact CG-CZ2 3.85Å; P199-W356 HydrophobicContact CG-CZ3 4.46Å; P199-S463 WeakPolarHBondContact O-CB 3.13Å; P199-S463 PolarHBondContact O-OG 2.98Å
200	A	95.7	Very high	97.7	Very high	25 Å²	25	11.5 Å²	11.5	21%	0.207	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.8	170.1	0	0	0	0	0	114	L45 F54 T198 A354	L45-A200 HydrophobicContact CD2-CB 3.83Å; F54-A200 HydrophobicContact CD2-CB 4.39Å; F54-A200 HydrophobicContact CE2-CB 3.64Å; F54-A200 HydrophobicContact CZ-CB 3.94Å; T198-A200 HydrophobicContact CG2-CB 4.31Å; T198-A200 PolarHBondContact O-N 3.07Å; T198-A200 WeakPolarHBondContact OG1-CB 3.32Å; T198-A200 PolarHBondContact OG1-N 3.09Å; A200-A354 WeakPolarHBondContact CB-O 3.04Å
201	V	96.6	Very high	97.5	Very high	20 Å²	20	12 Å²	12	12%	0.121	7%	0.066	C	C	.	.			trans	-113.3	112.8	-176.5	177.3	0	0	0	0	110.3	F54 L59 F196 T198 P199 P242	F54-V201 HydrophobicContact CB-CG2 3.59Å; F54-V201 HydrophobicContact CD2-CG2 3.6Å; F54-V201 HydrophobicContact CE2-CG2 4.48Å; F54-V201 HydrophobicContact CG-CG2 3.82Å; L59-V201 HydrophobicContact CB-CG1 4.36Å; L59-V201 HydrophobicContact CD2-CG1 4.33Å; F196-V201 HydrophobicContact CB-CB 4.15Å; F196-V201 HydrophobicContact CB-CG1 4.13Å; F196-V201 HydrophobicContact CB-CG2 3.98Å; F196-V201 HydrophobicContact CD2-CG1 4.07Å; F196-V201 HydrophobicContact CG-CG2 4.44Å; T198-V201 HydrophobicContact CG2-CB 4.35Å; T198-V201 HydrophobicContact CG2-CG2 3.85Å; T198-V201 PolarHBondContact O-N 3Å; P199-V201 PolarHBondContact O-N 2.85Å; V201-P242 WeakPolarHBondContact O-CA 3.44Å
202	K	96.9	Very high	97.2	Very high	28 Å²	28	14.9 Å²	14.9	12%	0.122	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.8	168	-54.9	-160.1	179.1	-167.2	0	111.3	P240 V241 N349 A350 T352 Q462 S463	K202-P240 HydrophobicContact CB-CB 3.98Å; K202-V241 CarbonylContact C-O 3.57Å; K202-V241 WeakPolarHBondContact CA-O 3.31Å; K202-N349 PolarHBondContact NZ-O 3.44Å; K202-A350 PolarHBondContact NZ-O 2.65Å; K202-T352 WeakPolarHBondContact CE-OG1 3.23Å; K202-T352 PolarHBondContact NZ-OG1 3.5Å; K202-Q462 WeakPolarHBondContact CE-O 3.26Å; K202-Q462 PolarHBondContact NZ-O 2.87Å; K202-Q462 VanDerWaalsContact NZ-O 3.11Å; K202-S463 VanDerWaalsContact CE-OG 3.31Å; K202-S463 WeakPolarHBondContact CE-OG 3.34Å
203	S	97.3	Very high	96.7	Very high	6 Å²	6	19.5 Å²	19.5	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	152.4	176.6	62.2	0	0	0	0	112.2	L59 F62 P240 V241	L59-S203 WeakPolarHBondContact CD2-OG 3.08Å; F62-S203 WeakPolarHBondContact CD1-OG 3.27Å; F62-S203 WeakPolarHBondContact CE1-OG 3.34Å; S203-P240 WeakPolarHBondContact O-CA 3.39Å; S203-V241 PolarHBondContact N-O 2.86Å; S203-V241 PolarHBondContact O-N 3.24Å
204	T	98.3	Very high	96.2	Very high	35 Å²	35	21.6 Å²	21.6	22%	0.215	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	155.2	169.5	59.4	0	0	0	0	109.3	R60 H61 F62 M237 E238 P240	R60-T204 PolarHBondContact O-OG1 3.38Å; R60-T204 VanDerWaalsContact O-OG1 3.08Å; H61-T204 VanDerWaalsContact CA-O 3.26Å; H61-T204 WeakPolarHBondContact CA-O 3.26Å; H61-T204 PolarHBondContact ND1-O 2.85Å; H61-T204 PolarHBondContact ND1-OG1 3.08Å; F62-T204 PolarHBondContact N-O 3.12Å; T204-M237 WeakPolarHBondContact CB-O 3.37Å; T204-E238 WeakPolarHBondContact CG2-O 3.18Å; T204-P240 HydrophobicContact CG2-CB 4.37Å
205	Y	98.8	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	163.2	178.5	85.5	-95.5	0	0	0	113.7	H61 F62 M219 S220 M237 V241 V246	H61-Y205 VanDerWaalsContact CE1-CA 3.48Å; H61-Y205 WeakPolarHBondContact CE1-CA 3.15Å; F62-Y205 VanDerWaalsContact CE1-CB 3.41Å; F62-Y205 HydrophobicContact CE1-CG 4.21Å; F62-Y205 HydrophobicContact CE2-CD2 4.26Å; F62-Y205 HydrophobicContact CE2-CG 4.09Å; F62-Y205 HydrophobicContact CZ-CD1 4.18Å; F62-Y205 HydrophobicContact CZ-CD2 4.27Å; F62-Y205 AromaticContact CZ-CG 3.71Å; F62-Y205 HydrophobicContact CZ-CG 3.71Å; F62-Y205 CarbonylContact O-C 3.51Å; F62-Y205 VanDerWaalsContact O-CA 3.27Å; F62-Y205 WeakPolarHBondContact O-CA 3.08Å; Y205-M219 HydrophobicContact CE2-CE 3.95Å; Y205-S220 PolarHBondContact OH-N 3.2Å; Y205-S220 PolarHBondContact OH-O 3.03Å; Y205-S220 PolarHBondContact OH-OG 2.8Å; Y205-M237 HydrophobicContact CD1-CB 3.44Å; Y205-M237 VanDerWaalsContact CD1-CB 3.44Å; Y205-M237 HydrophobicContact CD1-CG 3.85Å; Y205-M237 HydrophobicContact CE1-CB 3.43Å; Y205-M237 VanDerWaalsContact CE1-CB 3.43Å; Y205-M237 HydrophobicContact CE1-CG 3.71Å; Y205-M237 HydrophobicContact CG-CB 4.05Å; Y205-M237 PolarHBondContact N-O 3.49Å; Y205-M237 PolarHBondContact O-N 3.27Å; Y205-V241 HydrophobicContact CD1-CG2 4.06Å; Y205-V241 HydrophobicContact CE1-CG2 4.25Å; Y205-V246 HydrophobicContact CD1-CG2 4.31Å; Y205-V246 HydrophobicContact CE1-CG1 4.42Å; Y205-V246 HydrophobicContact CE1-CG2 4.28Å; Y205-V246 HydrophobicContact CE2-CG1 4.34Å
206	S	98.8	Very high	95.9	Very high	20 Å²	20	24 Å²	24	14%	0.14	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	160.2	168.7	56.1	0	0	0	0	110.7	H61 F62 H63 L64 F235	H61-S206 PolarHBondContact NE2-N 3.27Å; H61-S206 PolarHBondContact NE2-OG 3.05Å; F62-S206 PolarHBondContact O-N 3.02Å; H63-S206 CarbonylContact C-O 3.47Å; H63-S206 VanDerWaalsContact CA-O 3.3Å; H63-S206 WeakPolarHBondContact CA-O 3.48Å; H63-S206 PolarHBondContact ND1-OG 2.83Å; L64-S206 PolarHBondContact N-O 3.37Å; S206-F235 CarbonylContact C-O 3.6Å; S206-F235 VanDerWaalsContact CA-O 3.22Å; S206-F235 WeakPolarHBondContact CA-O 3.47Å; S206-F235 VanDerWaalsContact CB-O 3.31Å; S206-F235 WeakPolarHBondContact CB-O 3.39Å
207	A	98.8	Very high	95.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.1	-180	0	0	0	0	0	113	L64 I209 M219 Q234 F235	L64-A207 HydrophobicContact CB-CB 4.09Å; L64-A207 CarbonylContact O-C 3.16Å; L64-A207 WeakPolarHBondContact O-CA 3.38Å; L64-A207 WeakPolarHBondContact O-CB 3.29Å; A207-I209 HydrophobicContact CB-CD1 4.04Å; A207-I209 HydrophobicContact CB-CG1 4.36Å; A207-M219 HydrophobicContact CB-CE 4.13Å; A207-M219 HydrophobicContact CB-SD 3.65Å; A207-Q234 CarbonylContact O-C 3.56Å; A207-Q234 WeakPolarHBondContact O-CA 3.5Å; A207-F235 HydrophobicContact CB-CB 4.31Å; A207-F235 HydrophobicContact CB-CD2 4.4Å; A207-F235 PolarHBondContact N-O 3.26Å; A207-F235 PolarHBondContact O-N 3.45Å
208	S	98.6	Very high	96	Very high	13 Å²	13	24.5 Å²	24.5	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	99.4	175.3	-59.2	0	0	0	0	108.7	H63 L64 D65 L66	H63-S208 PolarHBondContact CE1-OG 2.89Å; H63-S208 PolarHBondContact NE2-OG 3.47Å; L64-S208 PolarHBondContact O-N 2.84Å; D65-S208 WeakPolarHBondContact CA-O 3.27Å; L66-S208 PolarHBondContact N-O 2.84Å
209	I	98.5	Very high	96.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.5	-172	-47.5	-59.7	0	0	0	110.9	L66 L68 A207 V211 V217 M219 I232 F233 F235 L248	L66-I209 HydrophobicContact CB-CD1 3.93Å; L66-I209 HydrophobicContact CD1-CD1 4.18Å; L66-I209 HydrophobicContact CG-CD1 4.42Å; L66-I209 CarbonylContact O-C 3.59Å; L66-I209 WeakPolarHBondContact O-CA 3.23Å; L68-I209 HydrophobicContact CD1-CG2 3.6Å; A207-I209 HydrophobicContact CB-CD1 4.04Å; A207-I209 HydrophobicContact CB-CG1 4.36Å; I209-V211 HydrophobicContact CG2-CG1 4.18Å; I209-V217 HydrophobicContact CB-CG1 4.22Å; I209-V217 HydrophobicContact CG1-CG1 4.31Å; I209-V217 HydrophobicContact CG2-CG1 4.02Å; I209-V217 HydrophobicContact CG2-CG2 4.06Å; I209-M219 HydrophobicContact CD1-SD 3.94Å; I209-M219 HydrophobicContact CG1-SD 3.79Å; I209-I232 WeakPolarHBondContact O-CA 3.37Å; I209-F233 PolarHBondContact N-O 2.8Å; I209-F233 PolarHBondContact O-N 2.86Å; I209-F235 HydrophobicContact CB-CE2 4.47Å; I209-F235 HydrophobicContact CG1-CD2 4.08Å; I209-F235 HydrophobicContact CG1-CE2 3.94Å; I209-L248 HydrophobicContact CD1-CD1 3.91Å; I209-L248 HydrophobicContact CG1-CD1 4.1Å; I209-L248 HydrophobicContact CG2-CD1 4.23Å
210	R	97.7	Very high	96.2	Very high	79 Å²	79	24.9 Å²	24.9	30%	0.298	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.6	174.9	-69.9	177.2	-158.7	100.5	15	111.2	D65 L66 R67 L68 I232	D65-R210 IonicContact OD1-CZ 2.96Å; D65-R210 VanDerWaalsContact OD1-CZ 3.26Å; D65-R210 IonicContact OD1-NH1 3.28Å; D65-R210 PolarHBondContact OD1-NH1 2.8Å; D65-R210 IonicContact OD1-NH2 3.72Å; D65-R210 PolarHBondContact OD1-NH2 2.87Å; D65-R210 IonicContact OD2-CZ 3.04Å; D65-R210 IonicContact OD2-NH1 2.66Å; D65-R210 IonicContact OD2-NH2 3.64Å; D65-R210 PolarHBondContact OD2-NH2 2.87Å; L66-R210 PolarHBondContact O-N 2.97Å; R67-R210 HydrophobicContact CB-CB 4.18Å; R67-R210 HydrophobicContact CG-CB 4.19Å; L68-R210 PolarHBondContact N-O 2.92Å; R210-I232 HydrophobicContact CG-CD1 4.46Å; R210-I232 HydrophobicContact CG-CG1 3.71Å
211	V	94.7	Very high	96.2	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.079	15%	0.145	C	C	.	.			trans	-136.1	161.6	-178.7	-66.7	0	0	0	0	114.4	L68 I209 V215 V217 R231 F233	L68-V211 HydrophobicContact CB-CG1 4.29Å; L68-V211 HydrophobicContact CD2-CG1 4.12Å; I209-V211 HydrophobicContact CG2-CG1 4.18Å; V211-V215 HydrophobicContact CB-CB 4.1Å; V211-V215 HydrophobicContact CB-CG1 4.16Å; V211-V215 HydrophobicContact CG1-CG1 4.16Å; V211-V215 HydrophobicContact CG2-CB 4.18Å; V211-V215 HydrophobicContact CG2-CG1 4.45Å; V211-V217 HydrophobicContact CB-CG2 4.34Å; V211-V217 HydrophobicContact CG1-CG2 3.35Å; V211-V217 HydrophobicContact CG2-CG2 4.08Å; V211-R231 PolarHBondContact N-O 3.16Å; V211-F233 HydrophobicContact CG2-CD2 3.94Å; V211-F233 HydrophobicContact CG2-CE2 3.71Å
212	P	90.8	Very high	96.1	Very high	60 Å²	60	24.9 Å²	24.9	39%	0.39	15%	0.151	S	C	.	.			trans	-62	169.5	166.2	-22.2	34.9	0	0	0	114.1	F70 V215	F70-P212 HydrophobicContact CD2-CG 4.25Å; P212-V215 HydrophobicContact CB-CG2 4.37Å
213	D	87.8	Confident	96	Very high	97 Å²	97	30.6 Å²	30.6	52%	0.519	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	140.1	174.8	-79.4	-45.1	0	0	0	112.7	V215 R231	D213-V215 VanDerWaalsContact C-N 3.31Å; D213-V215 PolarHBondContact O-N 2.81Å; D213-R231 IonicContact OD1-CZ 3.96Å; D213-R231 IonicContact OD1-NE 2.98Å; D213-R231 IonicContact OD1-NH1 2.93Å; D213-R231 PolarHBondContact OD1-NH1 2.84Å; D213-R231 IonicContact OD1-NH2 2.78Å; D213-R231 PolarHBondContact OD1-NH2 3.47Å; D213-R231 IonicContact OD2-CZ 3.32Å; D213-R231 IonicContact OD2-NH1 3.79Å; D213-R231 PolarHBondContact OD2-NH1 3.13Å; D213-R231 IonicContact OD2-NH2 2.72Å; D213-R231 PolarHBondContact OD2-NH2 2.89Å
214	G	86.9	Confident	96	Very high	45 Å²	45	34.7 Å²	34.7	46%	0.464	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	28.5	176.1	0	0	0	0	0	114	R177	R177-G214 PolarHBondContact NH1-O 2.85Å
215	V	93.9	Very high	95.8	Very high	18 Å²	18	35.7 Å²	35.7	11%	0.109	21%	0.209	C	C	.	.			trans	-111.7	124.4	166.2	179	0	0	0	0	108	F70 V211 P212 D213 A250	F70-V215 HydrophobicContact CE2-CG1 3.95Å; F70-V215 HydrophobicContact CE2-CG2 3.96Å; F70-V215 HydrophobicContact CZ-CG1 3.91Å; F70-V215 HydrophobicContact CZ-CG2 4.36Å; V211-V215 HydrophobicContact CB-CB 4.1Å; V211-V215 HydrophobicContact CB-CG1 4.16Å; V211-V215 HydrophobicContact CG1-CG1 4.16Å; V211-V215 HydrophobicContact CG2-CB 4.18Å; V211-V215 HydrophobicContact CG2-CG1 4.45Å; P212-V215 HydrophobicContact CB-CG2 4.37Å; D213-V215 VanDerWaalsContact C-N 3.31Å; D213-V215 PolarHBondContact O-N 2.81Å; V215-A250 HydrophobicContact CG1-CB 3.88Å
216	T	96.6	Very high	95.7	Very high	38 Å²	38	40 Å²	40	23%	0.233	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.4	168.7	-62.2	0	0	0	0	108.2	L218 A250 G251 L253 W265	T216-L218 HydrophobicContact CG2-CD2 4.16Å; T216-L218 HydrophobicContact CG2-CG 4.41Å; T216-A250 VanDerWaalsContact O-CA 3.26Å; T216-A250 WeakPolarHBondContact O-CA 3.49Å; T216-G251 PolarHBondContact N-O 2.94Å; T216-G251 PolarHBondContact O-N 2.92Å; T216-G251 VanDerWaalsContact O-N 3.08Å; T216-L253 HydrophobicContact CG2-CB 4.26Å; T216-L253 PolarHBondContact OG1-O 3.19Å; T216-L253 VanDerWaalsContact OG1-O 3.12Å; T216-W265 HydrophobicContact CG2-CE3 4.36Å; T216-W265 HydrophobicContact CG2-CZ3 3.84Å
217	V	98.1	Very high	95.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.3	170.9	-172.6	0	0	0	0	109.8	I209 V211 F233 F235 L248 V249 A250	I209-V217 HydrophobicContact CB-CG1 4.22Å; I209-V217 HydrophobicContact CG1-CG1 4.31Å; I209-V217 HydrophobicContact CG2-CG1 4.02Å; I209-V217 HydrophobicContact CG2-CG2 4.06Å; V211-V217 HydrophobicContact CB-CG2 4.34Å; V211-V217 HydrophobicContact CG1-CG2 3.35Å; V211-V217 HydrophobicContact CG2-CG2 4.08Å; V217-F233 HydrophobicContact CB-CB 4.12Å; V217-F233 HydrophobicContact CB-CD1 4.19Å; V217-F233 HydrophobicContact CB-CD2 3.82Å; V217-F233 HydrophobicContact CB-CE2 4.26Å; V217-F233 HydrophobicContact CB-CG 3.79Å; V217-F233 HydrophobicContact CG2-CD2 3.59Å; V217-F233 HydrophobicContact CG2-CE2 3.94Å; V217-F233 HydrophobicContact CG2-CG 4.09Å; V217-F235 HydrophobicContact CB-CE2 4.35Å; V217-F235 HydrophobicContact CB-CZ 4.18Å; V217-F235 HydrophobicContact CG1-CE2 3.8Å; V217-F235 HydrophobicContact CG1-CZ 3.87Å; V217-L248 HydrophobicContact CG1-CD1 4.26Å; V217-L248 HydrophobicContact CG1-CG 4.2Å; V217-V249 CarbonylContact C-O 3.58Å; V217-V249 WeakPolarHBondContact CA-O 3.43Å; V217-A250 HydrophobicContact CG2-CB 4.04Å
218	L	98.4	Very high	94.8	Very high	14 Å²	14	49 Å²	49	7%	0.073	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.2	169.2	-49	171.1	0	0	0	109	T216 L248 V249 L253 W265 V304 L320	T216-L218 HydrophobicContact CG2-CD2 4.16Å; T216-L218 HydrophobicContact CG2-CG 4.41Å; L218-L248 WeakPolarHBondContact O-CA 3.27Å; L218-V249 HydrophobicContact CB-CG1 3.85Å; L218-V249 HydrophobicContact CD1-CG1 4.08Å; L218-V249 HydrophobicContact CG-CG1 4.31Å; L218-V249 PolarHBondContact N-O 3.04Å; L218-V249 PolarHBondContact O-N 3.17Å; L218-L253 HydrophobicContact CD1-CD1 3.66Å; L218-L253 HydrophobicContact CG-CD1 4.28Å; L218-W265 HydrophobicContact CD1-CB 3.79Å; L218-W265 HydrophobicContact CD1-CD2 3.47Å; L218-W265 VanDerWaalsContact CD1-CD2 3.47Å; L218-W265 HydrophobicContact CD1-CE3 3.78Å; L218-W265 HydrophobicContact CD1-CG 3.48Å; L218-W265 VanDerWaalsContact CD1-CG 3.48Å; L218-W265 HydrophobicContact CD2-CD2 3.76Å; L218-W265 HydrophobicContact CD2-CE3 3.77Å; L218-W265 HydrophobicContact CD2-CH2 3.6Å; L218-W265 HydrophobicContact CD2-CZ2 3.56Å; L218-W265 HydrophobicContact CD2-CZ3 3.7Å; L218-W265 HydrophobicContact CG-CD2 4.26Å; L218-W265 HydrophobicContact CG-CE3 4.31Å; L218-V304 HydrophobicContact CD1-CG2 4.37Å; L218-L320 HydrophobicContact CB-CD1 4.28Å; L218-L320 HydrophobicContact CB-CD2 3.46Å; L218-L320 VanDerWaalsContact CB-CD2 3.46Å; L218-L320 HydrophobicContact CD1-CD1 4.1Å
219	M	98.4	Very high	94.2	Very high	7 Å²	7	56 Å²	56	3%	0.034	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.6	173.2	-66.5	-170.1	72	0	0	110.9	Y205 A207 I209 A221 F235 A247 L248	Y205-M219 HydrophobicContact CE2-CE 3.95Å; A207-M219 HydrophobicContact CB-CE 4.13Å; A207-M219 HydrophobicContact CB-SD 3.65Å; I209-M219 HydrophobicContact CD1-SD 3.94Å; I209-M219 HydrophobicContact CG1-SD 3.79Å; M219-A221 PolarHBondContact O-N 3.43Å; M219-F235 HydrophobicContact CB-CB 4.47Å; M219-F235 HydrophobicContact CB-CD1 3.87Å; M219-F235 HydrophobicContact CB-CD2 4.14Å; M219-F235 HydrophobicContact CB-CE1 4.1Å; M219-F235 HydrophobicContact CB-CE2 4.35Å; M219-F235 HydrophobicContact CB-CG 3.9Å; M219-F235 HydrophobicContact CB-CZ 4.33Å; M219-F235 HydrophobicContact CG-CD1 4.38Å; M219-F235 HydrophobicContact CG-CD2 3.81Å; M219-F235 HydrophobicContact CG-CE1 4.38Å; M219-F235 HydrophobicContact CG-CE2 3.8Å; M219-F235 HydrophobicContact CG-CG 4.11Å; M219-F235 HydrophobicContact CG-CZ 4.1Å; M219-F235 HydrophobicContact SD-CB 4.45Å; M219-F235 HydrophobicContact SD-CD2 3.55Å; M219-F235 VanDerWaalsContact SD-CD2 3.55Å; M219-F235 HydrophobicContact SD-CE2 3.97Å; M219-F235 HydrophobicContact SD-CG 4.07Å; M219-A247 WeakPolarHBondContact CA-O 3.02Å; M219-A247 VanDerWaalsContact CB-O 3.26Å; M219-A247 WeakPolarHBondContact CB-O 3.27Å; M219-A247 WeakPolarHBondContact CG-O 3.24Å; M219-L248 HydrophobicContact CE-CB 4.32Å; M219-L248 HydrophobicContact CE-CD1 4.46Å; M219-L248 HydrophobicContact CG-CB 4.04Å; M219-L248 HydrophobicContact CG-CD1 4.19Å; M219-L248 HydrophobicContact CG-CG 4.11Å; M219-L248 HydrophobicContact SD-CD1 4.06Å
220	S	98.1	Very high	93.6	Very high	1 Å²	1	61 Å²	61	1%	0.007	33%	0.329	C	S	.	.	S	Bend	trans	-73.9	64.2	179.3	51.8	0	0	0	0	113.3	Y205 L245 A247 P318	Y205-S220 PolarHBondContact OH-N 3.2Å; Y205-S220 PolarHBondContact OH-O 3.03Å; Y205-S220 PolarHBondContact OH-OG 2.8Å; S220-L245 WeakPolarHBondContact CB-O 3.44Å; S220-L245 PolarHBondContact OG-O 3.06Å; S220-A247 PolarHBondContact N-O 3.22Å; S220-A247 PolarHBondContact OG-N 3.25Å; S220-P318 CarbonylContact C-O 3.48Å; S220-P318 WeakPolarHBondContact CA-O 3.32Å; S220-P318 VanDerWaalsContact CB-O 3.23Å; S220-P318 WeakPolarHBondContact CB-O 3.44Å
221	A	97.4	Very high	93.3	Very high	11 Å²	11	62.1 Å²	62.1	9%	0.091	33%	0.334	C	S	.	.			trans	-135.2	137.3	-169.2	0	0	0	0	0	112.4	M219 R223 F235 M237	M219-A221 PolarHBondContact O-N 3.43Å; A221-R223 PolarHBondContact O-N 3.5Å; A221-F235 HydrophobicContact CB-CB 3.86Å; A221-F235 HydrophobicContact CB-CD1 4.3Å; A221-M237 HydrophobicContact CB-CB 4.21Å
222	S	94.3	Very high	93.4	Very high	35 Å²	35	63 Å²	63	25%	0.245	34%	0.337	C	S	.	.	S	Bend	trans	-68.8	-16.1	-176.5	62.5	0	0	0	0	114.5	S236 M237 E238	S222-S236 PolarHBondContact N-O 2.79Å; S222-S236 PolarHBondContact OG-O 2.84Å; S222-M237 PolarHBondContact N-SD 3.14Å; S222-E238 PolarHBondContact OG-N 2.73Å
223	R	94.8	Very high	93.8	Very high	147 Å²	147	61.2 Å²	61.2	56%	0.555	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.2	172.3	-62.8	-172.7	-177.6	150.7	11.9	111.8	A221 F235 S236 E238	A221-R223 PolarHBondContact O-N 3.5Å; R223-F235 WeakPolarHBondContact O-CA 3.26Å; R223-S236 PolarHBondContact N-O 3.26Å; R223-S236 PolarHBondContact O-N 2.93Å; R223-E238 IonicContact CZ-OE1 2.69Å; R223-E238 IonicContact CZ-OE2 2.73Å; R223-E238 IonicContact NE-OE1 3.51Å; R223-E238 IonicContact NE-OE2 2.73Å; R223-E238 PolarHBondContact NE-OE2 2.79Å; R223-E238 IonicContact NH1-OE1 3.34Å; R223-E238 PolarHBondContact NH1-OE1 3.49Å; R223-E238 IonicContact NH1-OE2 2.7Å; R223-E238 IonicContact NH2-OE1 2.83Å; R223-E238 PolarHBondContact NH2-OE1 2.64Å; R223-E238 IonicContact NH2-OE2 2.92Å; R223-E238 PolarHBondContact NH2-OE2 2.95Å
224	S	95.6	Very high	94.3	Very high	93 Å²	93	61.4 Å²	61.4	65%	0.65	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.6	172.5	59.5	0	0	0	0	112.2	Q234	S224-Q234 CarbonylContact C-O 3.59Å; S224-Q234 VanDerWaalsContact CA-O 3.25Å; S224-Q234 WeakPolarHBondContact CA-O 3.41Å
225	S	95.9	Very high	94.8	Very high	56 Å²	56	59.9 Å²	59.9	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164.6	170.8	88.8	0	0	0	0	110.2	F233 Q234	S225-F233 CarbonylContact O-C 3.51Å; S225-F233 WeakPolarHBondContact O-CA 3.49Å; S225-Q234 PolarHBondContact N-O 3.17Å; S225-Q234 PolarHBondContact O-N 3.29Å; S225-Q234 PolarHBondContact OG-OE1 2.94Å
226	Y	94.8	Very high	95.1	Very high	89 Å²	89	61 Å²	61	35%	0.349	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	117.7	178.7	174.1	-127.6	0	0	0	111.9	K228 I232 F233	Y226-K228 HydrophobicContact CD1-CG 3.93Å; Y226-K228 HydrophobicContact CE1-CB 4.39Å; Y226-K228 HydrophobicContact CE1-CG 3.46Å; Y226-K228 VanDerWaalsContact CE1-CG 3.46Å; Y226-I232 WeakPolarHBondContact CD2-O 3.3Å; Y226-F233 HydrophobicContact CD1-CE1 4.36Å; Y226-F233 HydrophobicContact CD1-CZ 4.26Å; Y226-F233 AromaticContact CD2-CD1 3.84Å; Y226-F233 HydrophobicContact CD2-CD1 3.84Å; Y226-F233 AromaticContact CD2-CD2 3.55Å; Y226-F233 HydrophobicContact CD2-CD2 3.55Å; Y226-F233 AromaticContact CD2-CE1 3.78Å; Y226-F233 HydrophobicContact CD2-CE1 3.78Å; Y226-F233 AromaticContact CD2-CE2 3.48Å; Y226-F233 HydrophobicContact CD2-CE2 3.48Å; Y226-F233 VanDerWaalsContact CD2-CE2 3.48Å; Y226-F233 AromaticContact CD2-CG 3.73Å; Y226-F233 HydrophobicContact CD2-CG 3.73Å; Y226-F233 AromaticContact CD2-CZ 3.6Å; Y226-F233 HydrophobicContact CD2-CZ 3.6Å; Y226-F233 HydrophobicContact CE1-CZ 4.37Å; Y226-F233 AromaticContact CE2-CD2 3.78Å; Y226-F233 HydrophobicContact CE2-CD2 3.78Å; Y226-F233 HydrophobicContact CE2-CE1 4.41Å; Y226-F233 AromaticContact CE2-CE2 3.4Å; Y226-F233 HydrophobicContact CE2-CE2 3.4Å; Y226-F233 VanDerWaalsContact CE2-CE2 3.4Å; Y226-F233 HydrophobicContact CE2-CG 4.41Å; Y226-F233 AromaticContact CE2-CZ 3.76Å; Y226-F233 HydrophobicContact CE2-CZ 3.76Å; Y226-F233 HydrophobicContact CG-CD1 4.03Å; Y226-F233 HydrophobicContact CG-CD2 4.49Å; Y226-F233 AromaticContact CG-CE1 3.77Å; Y226-F233 HydrophobicContact CG-CE1 3.77Å; Y226-F233 HydrophobicContact CG-CE2 4.25Å; Y226-F233 HydrophobicContact CG-CG 4.38Å; Y226-F233 AromaticContact CG-CZ 3.88Å; Y226-F233 HydrophobicContact CG-CZ 3.88Å
227	S	93.1	Very high	95.1	Very high	37 Å²	37	59.2 Å²	59.2	26%	0.259	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.8	167.3	-178.5	0	0	0	0	110.3	L229 D230 R231 I232	S227-L229 PolarHBondContact O-N 2.8Å; S227-L229 PolarHBondContact OG-N 2.7Å; S227-D230 VanDerWaalsContact CB-OD2 3.27Å; S227-D230 WeakPolarHBondContact CB-OD2 3.32Å; S227-D230 PolarHBondContact OG-N 3.24Å; S227-D230 PolarHBondContact OG-OD2 2.79Å; S227-R231 VanDerWaalsContact O-CA 3.25Å; S227-R231 WeakPolarHBondContact O-CA 3.12Å; S227-R231 PolarHBondContact O-N 3.01Å; S227-I232 PolarHBondContact N-O 3.22Å; S227-I232 PolarHBondContact O-N 2.98Å
228	K	87.5	Confident	95	Very high	174 Å²	174	63.2 Å²	63.2	76%	0.757	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-24.5	170.4	-74.7	179.5	177	-179.3	0	113.3	Y226	Y226-K228 HydrophobicContact CD1-CG 3.93Å; Y226-K228 HydrophobicContact CE1-CB 4.39Å; Y226-K228 HydrophobicContact CE1-CG 3.46Å; Y226-K228 VanDerWaalsContact CE1-CG 3.46Å
229	L	85.8	Confident	94.8	Very high	160 Å²	160	65.3 Å²	65.3	84%	0.838	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-49.6	-177.8	-116.6	164.7	0	0	0	110.6	S227	S227-L229 PolarHBondContact O-N 2.8Å; S227-L229 PolarHBondContact OG-N 2.7Å
230	D	86.2	Confident	94.8	Very high	106 Å²	106	66.7 Å²	66.7	57%	0.567	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-13.3	-176.5	-45.8	-72	0	0	0	113	S227 I232	S227-D230 VanDerWaalsContact CB-OD2 3.27Å; S227-D230 WeakPolarHBondContact CB-OD2 3.32Å; S227-D230 PolarHBondContact OG-N 3.24Å; S227-D230 PolarHBondContact OG-OD2 2.79Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 HydrophobicContact CB-CB 4.42Å; D230-I232 HydrophobicContact CB-CD1 3.73Å; D230-I232 HydrophobicContact CB-CG1 3.9Å; D230-I232 PolarHBondContact O-N 2.97Å
231	R	91.3	Very high	94.7	Very high	102 Å²	102	66.7 Å²	66.7	39%	0.385	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	35.5	-174.1	-51.9	171.1	-178.3	-145.4	-16.6	112.8	V211 D213 S227	V211-R231 PolarHBondContact N-O 3.16Å; D213-R231 IonicContact OD1-CZ 3.96Å; D213-R231 IonicContact OD1-NE 2.98Å; D213-R231 IonicContact OD1-NH1 2.93Å; D213-R231 PolarHBondContact OD1-NH1 2.84Å; D213-R231 IonicContact OD1-NH2 2.78Å; D213-R231 PolarHBondContact OD1-NH2 3.47Å; D213-R231 IonicContact OD2-CZ 3.32Å; D213-R231 IonicContact OD2-NH1 3.79Å; D213-R231 PolarHBondContact OD2-NH1 3.13Å; D213-R231 IonicContact OD2-NH2 2.72Å; D213-R231 PolarHBondContact OD2-NH2 2.89Å; S227-R231 VanDerWaalsContact O-CA 3.25Å; S227-R231 WeakPolarHBondContact O-CA 3.12Å; S227-R231 PolarHBondContact O-N 3.01Å
232	I	96.5	Very high	94.7	Very high	31 Å²	31	66.2 Å²	66.2	16%	0.159	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.8	178.6	-61.3	169.7	0	0	0	108.7	I209 R210 Y226 S227 D230 Q234	I209-I232 WeakPolarHBondContact O-CA 3.37Å; R210-I232 HydrophobicContact CG-CD1 4.46Å; R210-I232 HydrophobicContact CG-CG1 3.71Å; Y226-I232 WeakPolarHBondContact CD2-O 3.3Å; S227-I232 PolarHBondContact N-O 3.22Å; S227-I232 PolarHBondContact O-N 2.98Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 HydrophobicContact CB-CB 4.42Å; D230-I232 HydrophobicContact CB-CD1 3.73Å; D230-I232 HydrophobicContact CB-CG1 3.9Å; D230-I232 PolarHBondContact O-N 2.97Å; I232-Q234 HydrophobicContact CG2-CG 3.74Å
233	F	98.2	Very high	94.9	Very high	22 Å²	22	64.9 Å²	64.9	10%	0.096	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.6	158	-70	-99.5	0	0	0	108.3	I209 V211 V217 S225 Y226 F235	I209-F233 PolarHBondContact N-O 2.8Å; I209-F233 PolarHBondContact O-N 2.86Å; V211-F233 HydrophobicContact CG2-CD2 3.94Å; V211-F233 HydrophobicContact CG2-CE2 3.71Å; V217-F233 HydrophobicContact CB-CB 4.12Å; V217-F233 HydrophobicContact CB-CD1 4.19Å; V217-F233 HydrophobicContact CB-CD2 3.82Å; V217-F233 HydrophobicContact CB-CE2 4.26Å; V217-F233 HydrophobicContact CB-CG 3.79Å; V217-F233 HydrophobicContact CG2-CD2 3.59Å; V217-F233 HydrophobicContact CG2-CE2 3.94Å; V217-F233 HydrophobicContact CG2-CG 4.09Å; S225-F233 CarbonylContact O-C 3.51Å; S225-F233 WeakPolarHBondContact O-CA 3.49Å; Y226-F233 HydrophobicContact CD1-CE1 4.36Å; Y226-F233 HydrophobicContact CD1-CZ 4.26Å; Y226-F233 AromaticContact CD2-CD1 3.84Å; Y226-F233 HydrophobicContact CD2-CD1 3.84Å; Y226-F233 AromaticContact CD2-CD2 3.55Å; Y226-F233 HydrophobicContact CD2-CD2 3.55Å; Y226-F233 AromaticContact CD2-CE1 3.78Å; Y226-F233 HydrophobicContact CD2-CE1 3.78Å; Y226-F233 AromaticContact CD2-CE2 3.48Å; Y226-F233 HydrophobicContact CD2-CE2 3.48Å; Y226-F233 VanDerWaalsContact CD2-CE2 3.48Å; Y226-F233 AromaticContact CD2-CG 3.73Å; Y226-F233 HydrophobicContact CD2-CG 3.73Å; Y226-F233 AromaticContact CD2-CZ 3.6Å; Y226-F233 HydrophobicContact CD2-CZ 3.6Å; Y226-F233 HydrophobicContact CE1-CZ 4.37Å; Y226-F233 AromaticContact CE2-CD2 3.78Å; Y226-F233 HydrophobicContact CE2-CD2 3.78Å; Y226-F233 HydrophobicContact CE2-CE1 4.41Å; Y226-F233 AromaticContact CE2-CE2 3.4Å; Y226-F233 HydrophobicContact CE2-CE2 3.4Å; Y226-F233 VanDerWaalsContact CE2-CE2 3.4Å; Y226-F233 HydrophobicContact CE2-CG 4.41Å; Y226-F233 AromaticContact CE2-CZ 3.76Å; Y226-F233 HydrophobicContact CE2-CZ 3.76Å; Y226-F233 HydrophobicContact CG-CD1 4.03Å; Y226-F233 HydrophobicContact CG-CD2 4.49Å; Y226-F233 AromaticContact CG-CE1 3.77Å; Y226-F233 HydrophobicContact CG-CE1 3.77Å; Y226-F233 HydrophobicContact CG-CE2 4.25Å; Y226-F233 HydrophobicContact CG-CG 4.38Å; Y226-F233 AromaticContact CG-CZ 3.88Å; Y226-F233 HydrophobicContact CG-CZ 3.88Å; F233-F235 HydrophobicContact CB-CD2 4.47Å; F233-F235 HydrophobicContact CB-CE2 3.55Å; F233-F235 HydrophobicContact CB-CZ 3.83Å; F233-F235 HydrophobicContact CD1-CZ 4.4Å; F233-F235 HydrophobicContact CG-CZ 4.47Å
234	Q	98.4	Very high	95	Very high	102 Å²	102	58 Å²	58	48%	0.477	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139	175	-58.1	-176.6	-54.9	0	0	109.5	A207 S224 S225 I232	A207-Q234 CarbonylContact O-C 3.56Å; A207-Q234 WeakPolarHBondContact O-CA 3.5Å; S224-Q234 CarbonylContact C-O 3.59Å; S224-Q234 VanDerWaalsContact CA-O 3.25Å; S224-Q234 WeakPolarHBondContact CA-O 3.41Å; S225-Q234 PolarHBondContact N-O 3.17Å; S225-Q234 PolarHBondContact O-N 3.29Å; S225-Q234 PolarHBondContact OG-OE1 2.94Å; I232-Q234 HydrophobicContact CG2-CG 3.74Å
235	F	98.6	Very high	95.1	Very high	12 Å²	12	53.6 Å²	53.6	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.5	-179.8	-59.7	-83.4	0	0	0	110.3	S206 A207 I209 V217 M219 A221 R223 F233	S206-F235 CarbonylContact C-O 3.6Å; S206-F235 VanDerWaalsContact CA-O 3.22Å; S206-F235 WeakPolarHBondContact CA-O 3.47Å; S206-F235 VanDerWaalsContact CB-O 3.31Å; S206-F235 WeakPolarHBondContact CB-O 3.39Å; A207-F235 HydrophobicContact CB-CB 4.31Å; A207-F235 HydrophobicContact CB-CD2 4.4Å; A207-F235 PolarHBondContact N-O 3.26Å; A207-F235 PolarHBondContact O-N 3.45Å; I209-F235 HydrophobicContact CB-CE2 4.47Å; I209-F235 HydrophobicContact CG1-CD2 4.08Å; I209-F235 HydrophobicContact CG1-CE2 3.94Å; V217-F235 HydrophobicContact CB-CE2 4.35Å; V217-F235 HydrophobicContact CB-CZ 4.18Å; V217-F235 HydrophobicContact CG1-CE2 3.8Å; V217-F235 HydrophobicContact CG1-CZ 3.87Å; M219-F235 HydrophobicContact CB-CB 4.47Å; M219-F235 HydrophobicContact CB-CD1 3.87Å; M219-F235 HydrophobicContact CB-CD2 4.14Å; M219-F235 HydrophobicContact CB-CE1 4.1Å; M219-F235 HydrophobicContact CB-CE2 4.35Å; M219-F235 HydrophobicContact CB-CG 3.9Å; M219-F235 HydrophobicContact CB-CZ 4.33Å; M219-F235 HydrophobicContact CG-CD1 4.38Å; M219-F235 HydrophobicContact CG-CD2 3.81Å; M219-F235 HydrophobicContact CG-CE1 4.38Å; M219-F235 HydrophobicContact CG-CE2 3.8Å; M219-F235 HydrophobicContact CG-CG 4.11Å; M219-F235 HydrophobicContact CG-CZ 4.1Å; M219-F235 HydrophobicContact SD-CB 4.45Å; M219-F235 HydrophobicContact SD-CD2 3.55Å; M219-F235 VanDerWaalsContact SD-CD2 3.55Å; M219-F235 HydrophobicContact SD-CE2 3.97Å; M219-F235 HydrophobicContact SD-CG 4.07Å; A221-F235 HydrophobicContact CB-CB 3.86Å; A221-F235 HydrophobicContact CB-CD1 4.3Å; R223-F235 WeakPolarHBondContact O-CA 3.26Å; F233-F235 HydrophobicContact CB-CD2 4.47Å; F233-F235 HydrophobicContact CB-CE2 3.55Å; F233-F235 HydrophobicContact CB-CZ 3.83Å; F233-F235 HydrophobicContact CD1-CZ 4.4Å; F233-F235 HydrophobicContact CG-CZ 4.47Å
236	S	98.3	Very high	95.2	Very high	42 Å²	42	50.9 Å²	50.9	29%	0.294	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	131.4	171.7	-173.8	0	0	0	0	110	S222 R223	S222-S236 PolarHBondContact N-O 2.79Å; S222-S236 PolarHBondContact OG-O 2.84Å; R223-S236 PolarHBondContact N-O 3.26Å; R223-S236 PolarHBondContact O-N 2.93Å
237	M	97.7	Very high	95.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	99.1	178.7	-175.7	50	162.6	0	0	108.8	T204 Y205 A221 S222 F239 V241 W298 P318	T204-M237 WeakPolarHBondContact CB-O 3.37Å; Y205-M237 HydrophobicContact CD1-CB 3.44Å; Y205-M237 VanDerWaalsContact CD1-CB 3.44Å; Y205-M237 HydrophobicContact CD1-CG 3.85Å; Y205-M237 HydrophobicContact CE1-CB 3.43Å; Y205-M237 VanDerWaalsContact CE1-CB 3.43Å; Y205-M237 HydrophobicContact CE1-CG 3.71Å; Y205-M237 HydrophobicContact CG-CB 4.05Å; Y205-M237 PolarHBondContact N-O 3.49Å; Y205-M237 PolarHBondContact O-N 3.27Å; A221-M237 HydrophobicContact CB-CB 4.21Å; S222-M237 PolarHBondContact N-SD 3.14Å; M237-F239 VanDerWaalsContact C-N 3.3Å; M237-F239 HydrophobicContact CE-CB 4.4Å; M237-F239 PolarHBondContact O-N 3.48Å; M237-V241 HydrophobicContact CE-CG1 3.54Å; M237-V241 HydrophobicContact CG-CG2 4.27Å; M237-W298 HydrophobicContact CE-CE3 3.56Å; M237-W298 HydrophobicContact CE-CZ3 3.59Å; M237-P318 HydrophobicContact CE-CB 3.54Å; M237-P318 HydrophobicContact CE-CG 4.28Å
238	E	95.4	Very high	95.6	Very high	86 Å²	86	45 Å²	45	40%	0.402	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-15	-171.3	-62.3	-175.7	124.6	0	0	113.6	T204 S222 R223	T204-E238 WeakPolarHBondContact CG2-O 3.18Å; S222-E238 PolarHBondContact OG-N 2.73Å; R223-E238 IonicContact CZ-OE1 2.69Å; R223-E238 IonicContact CZ-OE2 2.73Å; R223-E238 IonicContact NE-OE1 3.51Å; R223-E238 IonicContact NE-OE2 2.73Å; R223-E238 PolarHBondContact NE-OE2 2.79Å; R223-E238 IonicContact NH1-OE1 3.34Å; R223-E238 PolarHBondContact NH1-OE1 3.49Å; R223-E238 IonicContact NH1-OE2 2.7Å; R223-E238 IonicContact NH2-OE1 2.83Å; R223-E238 PolarHBondContact NH2-OE1 2.64Å; R223-E238 IonicContact NH2-OE2 2.92Å; R223-E238 PolarHBondContact NH2-OE2 2.95Å
239	F	95.7	Very high	96.2	Very high	58 Å²	58	36.7 Å²	36.7	25%	0.254	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.1	176.1	-60.2	-69.3	0	0	0	110.4	M237 V241 L297 W298 F461	M237-F239 VanDerWaalsContact C-N 3.3Å; M237-F239 HydrophobicContact CE-CB 4.4Å; M237-F239 PolarHBondContact O-N 3.48Å; F239-V241 PolarHBondContact O-N 2.9Å; F239-L297 WeakPolarHBondContact CE2-O 3.49Å; F239-L297 WeakPolarHBondContact CZ-O 3.32Å; F239-W298 HydrophobicContact CB-CE3 4.1Å; F239-W298 HydrophobicContact CB-CZ3 3.66Å; F239-W298 HydrophobicContact CD2-CE3 4.1Å; F239-W298 HydrophobicContact CG-CE3 4.33Å; F239-W298 HydrophobicContact CG-CZ3 4.31Å; F239-F461 HydrophobicContact CB-CE1 3.79Å; F239-F461 HydrophobicContact CB-CZ 4.18Å; F239-F461 AromaticContact CD1-CE1 3.9Å; F239-F461 HydrophobicContact CD1-CE1 3.9Å; F239-F461 HydrophobicContact CD1-CE2 4.06Å; F239-F461 AromaticContact CD1-CZ 3.38Å; F239-F461 HydrophobicContact CD1-CZ 3.38Å; F239-F461 HydrophobicContact CE1-CZ 4.04Å; F239-F461 HydrophobicContact CG-CE1 4.11Å; F239-F461 HydrophobicContact CG-CZ 4Å
240	P	96.8	Very high	96.7	Very high	35 Å²	35	29 Å²	29	23%	0.227	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.1	-178.3	32.4	-36.3	0	0	0	110.6	K202 S203 T204 F461	K202-P240 HydrophobicContact CB-CB 3.98Å; S203-P240 WeakPolarHBondContact O-CA 3.39Å; T204-P240 HydrophobicContact CG2-CB 4.37Å; P240-F461 HydrophobicContact CG-CB 3.81Å; P240-F461 HydrophobicContact CG-CD1 3.98Å; P240-F461 HydrophobicContact CG-CG 4.01Å
241	V	97.2	Very high	97.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.3	-179.3	-68.7	0	0	0	0	111.3	K202 S203 Y205 M237 F239 L245 W298 P318	K202-V241 CarbonylContact C-O 3.57Å; K202-V241 WeakPolarHBondContact CA-O 3.31Å; S203-V241 PolarHBondContact N-O 2.86Å; S203-V241 PolarHBondContact O-N 3.24Å; Y205-V241 HydrophobicContact CD1-CG2 4.06Å; Y205-V241 HydrophobicContact CE1-CG2 4.25Å; M237-V241 HydrophobicContact CE-CG1 3.54Å; M237-V241 HydrophobicContact CG-CG2 4.27Å; F239-V241 PolarHBondContact O-N 2.9Å; V241-L245 HydrophobicContact CB-CD1 4.32Å; V241-L245 HydrophobicContact CG1-CD1 4.47Å; V241-W298 HydrophobicContact CG1-CH2 4.19Å; V241-W298 HydrophobicContact CG1-CZ3 3.83Å; V241-P318 HydrophobicContact CG1-CG 4.09Å
242	P	97.5	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	156.5	166.4	29.5	-38.1	0	0	0	112.7	P199 V201 Y244 L245 T352	P199-P242 HydrophobicContact CB-CB 4.48Å; V201-P242 WeakPolarHBondContact O-CA 3.44Å; P242-Y244 VanDerWaalsContact C-N 3.3Å; P242-Y244 HydrophobicContact CB-CD1 3.73Å; P242-Y244 HydrophobicContact CB-CE1 3.82Å; P242-Y244 HydrophobicContact CG-CD1 3.75Å; P242-Y244 HydrophobicContact CG-CE1 3.38Å; P242-Y244 PolarHBondContact O-N 3.08Å; P242-L245 HydrophobicContact CG-CD1 3.61Å; P242-L245 HydrophobicContact CG-CG 3.97Å; P242-L245 PolarHBondContact O-N 2.89Å; P242-T352 HydrophobicContact CG-CG2 4.32Å
243	S	97.1	Very high	97.4	Very high	8 Å²	8	20.4 Å²	20.4	6%	0.056	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-58.8	-35.4	-176.7	40.1	0	0	0	0	114	N189 F196 D197 L245 V246	N189-S243 PolarHBondContact ND2-O 3.32Å; F196-S243 PolarHBondContact O-OG 3.18Å; D197-S243 WeakPolarHBondContact CA-OG 3.4Å; D197-S243 PolarHBondContact OD1-OG 2.95Å; S243-L245 PolarHBondContact O-N 3.04Å; S243-V246 WeakPolarHBondContact O-CB 3.31Å; S243-V246 VanDerWaalsContact O-CG2 3.3Å; S243-V246 WeakPolarHBondContact O-CG2 3.31Å; S243-V246 PolarHBondContact O-N 2.83Å
244	Y	96.9	Very high	97.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-66.3	-21.7	-176.4	82.1	-99.2	0	0	0	114	G184 H185 S186 P199 P242 V246 M315 E316 T352 W356	G184-Y244 CarbonylContact C-O 3.49Å; G184-Y244 VanDerWaalsContact CA-O 3.31Å; G184-Y244 WeakPolarHBondContact CA-O 3.28Å; H185-Y244 HydrophobicContact CB-CD2 3.82Å; H185-Y244 HydrophobicContact CB-CE2 4.39Å; H185-Y244 AromaticContact CD2-CD2 3.58Å; H185-Y244 AromaticContact CD2-CE2 3.65Å; S186-Y244 WeakPolarHBondContact O-CB 3.28Å; P199-Y244 HydrophobicContact CB-CD1 4.29Å; P199-Y244 HydrophobicContact CB-CE1 4.1Å; P242-Y244 VanDerWaalsContact C-N 3.3Å; P242-Y244 HydrophobicContact CB-CD1 3.73Å; P242-Y244 HydrophobicContact CB-CE1 3.82Å; P242-Y244 HydrophobicContact CG-CD1 3.75Å; P242-Y244 HydrophobicContact CG-CE1 3.38Å; P242-Y244 PolarHBondContact O-N 3.08Å; Y244-V246 VanDerWaalsContact C-N 3.34Å; Y244-M315 HydrophobicContact CD2-CE 3.81Å; Y244-M315 HydrophobicContact CE2-CE 3.82Å; Y244-E316 WeakPolarHBondContact CE2-OE1 3.37Å; Y244-E316 PolarHBondContact OH-OE1 3.47Å; Y244-T352 HydrophobicContact CE1-CG2 4.05Å; Y244-W356 AromaticContact CD1-CH2 3.58Å; Y244-W356 HydrophobicContact CD1-CH2 3.58Å; Y244-W356 HydrophobicContact CD1-CZ2 4.13Å; Y244-W356 HydrophobicContact CD2-CH2 4.41Å; Y244-W356 AromaticContact CE1-CH2 3.89Å; Y244-W356 HydrophobicContact CE1-CH2 3.89Å; Y244-W356 AromaticContact CG-CH2 3.88Å; Y244-W356 HydrophobicContact CG-CH2 3.88Å; Y244-W356 HydrophobicContact CG-CZ2 4.46Å
245	L	98.1	Very high	97.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-86.4	-0.8	178.4	-66.1	177.6	0	0	0	114.1	S220 V241 P242 S243 A247 M315 E316 P318 N349	S220-L245 WeakPolarHBondContact CB-O 3.44Å; S220-L245 PolarHBondContact OG-O 3.06Å; V241-L245 HydrophobicContact CB-CD1 4.32Å; V241-L245 HydrophobicContact CG1-CD1 4.47Å; P242-L245 HydrophobicContact CG-CD1 3.61Å; P242-L245 HydrophobicContact CG-CG 3.97Å; P242-L245 PolarHBondContact O-N 2.89Å; S243-L245 PolarHBondContact O-N 3.04Å; L245-A247 PolarHBondContact O-N 2.84Å; L245-M315 HydrophobicContact CD2-CE 3.72Å; L245-E316 HydrophobicContact CD2-CG 3.76Å; L245-E316 WeakPolarHBondContact CD2-OE1 3.38Å; L245-P318 HydrophobicContact CB-CG 4.36Å; L245-P318 HydrophobicContact CD1-CG 3.88Å; L245-N349 HydrophobicContact CD1-CB 4.49Å; L245-N349 WeakPolarHBondContact CD1-OD1 2.88Å; L245-N349 WeakPolarHBondContact CD2-OD1 3.02Å
246	V	98.5	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.			trans	-81.6	101	-178.4	-178.1	0	0	0	0	108.1	F62 L64 N189 F192 F193 Y205 S243 Y244	F62-V246 HydrophobicContact CE1-CG2 4.46Å; F62-V246 HydrophobicContact CE2-CG1 4.47Å; F62-V246 HydrophobicContact CZ-CG1 4.18Å; F62-V246 HydrophobicContact CZ-CG2 3.76Å; L64-V246 HydrophobicContact CD1-CG1 4.36Å; N189-V246 PolarHBondContact ND2-O 2.92Å; F192-V246 HydrophobicContact CE1-CG1 4.42Å; F193-V246 HydrophobicContact CE1-CB 4.1Å; F193-V246 HydrophobicContact CE1-CG1 3.91Å; F193-V246 HydrophobicContact CZ-CB 4.19Å; F193-V246 HydrophobicContact CZ-CG1 4.14Å; F193-V246 HydrophobicContact CZ-CG2 4.21Å; Y205-V246 HydrophobicContact CD1-CG2 4.31Å; Y205-V246 HydrophobicContact CE1-CG1 4.42Å; Y205-V246 HydrophobicContact CE1-CG2 4.28Å; Y205-V246 HydrophobicContact CE2-CG1 4.34Å; S243-V246 WeakPolarHBondContact O-CB 3.31Å; S243-V246 VanDerWaalsContact O-CG2 3.3Å; S243-V246 WeakPolarHBondContact O-CG2 3.31Å; S243-V246 PolarHBondContact O-N 2.83Å; Y244-V246 VanDerWaalsContact C-N 3.34Å
247	A	98.3	Very high	97.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	14%	0.142	C	C	.	.			trans	-120.1	152	-171.6	0	0	0	0	0	112.4	T182 M219 S220 L245 N317 F322	T182-A247 WeakPolarHBondContact OG1-CA 3.36Å; M219-A247 WeakPolarHBondContact CA-O 3.02Å; M219-A247 VanDerWaalsContact CB-O 3.26Å; M219-A247 WeakPolarHBondContact CB-O 3.27Å; M219-A247 WeakPolarHBondContact CG-O 3.24Å; S220-A247 PolarHBondContact N-O 3.22Å; S220-A247 PolarHBondContact OG-N 3.25Å; L245-A247 PolarHBondContact O-N 2.84Å; A247-N317 HydrophobicContact CB-CB 4.09Å; A247-N317 VanDerWaalsContact CB-CG 3.41Å; A247-N317 WeakPolarHBondContact CB-ND2 3.46Å; A247-N317 WeakPolarHBondContact CB-OD1 3.39Å; A247-F322 HydrophobicContact CB-CE1 4.31Å; A247-F322 HydrophobicContact CB-CE2 4.11Å; A247-F322 HydrophobicContact CB-CZ 3.8Å
248	L	98.5	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.3	175.9	-179	151.2	0	0	0	109.4	L68 M75 F181 T182 F192 I209 V217 L218 M219 A250	L68-L248 HydrophobicContact CD2-CD2 4.22Å; M75-L248 HydrophobicContact CE-CD2 4.16Å; F181-L248 CarbonylContact C-O 3.59Å; F181-L248 WeakPolarHBondContact CA-O 3.34Å; T182-L248 HydrophobicContact CG2-CB 4.12Å; T182-L248 PolarHBondContact N-O 3.02Å; T182-L248 PolarHBondContact OG1-N 2.82Å; T182-L248 PolarHBondContact OG1-O 3.19Å; F192-L248 HydrophobicContact CZ-CB 4.27Å; F192-L248 HydrophobicContact CZ-CD1 4.39Å; I209-L248 HydrophobicContact CD1-CD1 3.91Å; I209-L248 HydrophobicContact CG1-CD1 4.1Å; I209-L248 HydrophobicContact CG2-CD1 4.23Å; V217-L248 HydrophobicContact CG1-CD1 4.26Å; V217-L248 HydrophobicContact CG1-CG 4.2Å; L218-L248 WeakPolarHBondContact O-CA 3.27Å; M219-L248 HydrophobicContact CE-CB 4.32Å; M219-L248 HydrophobicContact CE-CD1 4.46Å; M219-L248 HydrophobicContact CG-CB 4.04Å; M219-L248 HydrophobicContact CG-CD1 4.19Å; M219-L248 HydrophobicContact CG-CG 4.11Å; M219-L248 HydrophobicContact SD-CD1 4.06Å; L248-A250 HydrophobicContact CD2-CB 4.18Å
249	V	98.5	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.3	161.7	58.4	0	0	0	0	109.7	L179 V180 F181 V217 L218 L253 V304 L306 F322	L179-V249 HydrophobicContact CD1-CG2 4.44Å; L179-V249 HydrophobicContact CD2-CG2 4.18Å; L179-V249 HydrophobicContact CG-CG2 4.37Å; V180-V249 CarbonylContact O-C 3.54Å; V180-V249 WeakPolarHBondContact O-CA 3.35Å; F181-V249 HydrophobicContact CB-CB 4.24Å; F181-V249 HydrophobicContact CB-CG2 4.1Å; V217-V249 CarbonylContact C-O 3.58Å; V217-V249 WeakPolarHBondContact CA-O 3.43Å; L218-V249 HydrophobicContact CB-CG1 3.85Å; L218-V249 HydrophobicContact CD1-CG1 4.08Å; L218-V249 HydrophobicContact CG-CG1 4.31Å; L218-V249 PolarHBondContact N-O 3.04Å; L218-V249 PolarHBondContact O-N 3.17Å; V249-L253 HydrophobicContact CG1-CD1 3.94Å; V249-L253 HydrophobicContact CG2-CD1 3.96Å; V249-V304 HydrophobicContact CG1-CG1 4.3Å; V249-V304 HydrophobicContact CG1-CG2 4.3Å; V249-L306 HydrophobicContact CB-CD2 4.32Å; V249-L306 HydrophobicContact CG2-CD2 3.67Å; V249-F322 HydrophobicContact CB-CZ 3.98Å; V249-F322 HydrophobicContact CG1-CE1 4.15Å; V249-F322 HydrophobicContact CG1-CZ 4.01Å
250	A	98.1	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	124.2	178	0	0	0	0	0	111.9	L68 F70 L179 V180 V215 T216 V217 L248	L68-A250 HydrophobicContact CD2-CB 3.48Å; L68-A250 VanDerWaalsContact CD2-CB 3.48Å; F70-A250 HydrophobicContact CZ-CB 4.09Å; L179-A250 WeakPolarHBondContact CA-O 3.35Å; V180-A250 HydrophobicContact CG1-CB 3.93Å; V180-A250 PolarHBondContact N-O 3.49Å; V180-A250 PolarHBondContact O-N 2.84Å; V215-A250 HydrophobicContact CG1-CB 3.88Å; T216-A250 VanDerWaalsContact O-CA 3.26Å; T216-A250 WeakPolarHBondContact O-CA 3.49Å; V217-A250 HydrophobicContact CG2-CB 4.04Å; L248-A250 HydrophobicContact CD2-CB 4.18Å
251	G	96.4	Very high	97	Very high	2 Å²	2	30 Å²	30	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-160.3	-177.6	0	0	0	0	0	113.9	T216 L253	T216-G251 PolarHBondContact N-O 2.94Å; T216-G251 PolarHBondContact O-N 2.92Å; T216-G251 VanDerWaalsContact O-N 3.08Å; G251-L253 PolarHBondContact O-N 3.12Å
252	E	95.1	Very high	97	Very high	49 Å²	49	29.9 Å²	29.9	23%	0.229	16%	0.158	C	C	.	.	S	Bend	trans	-81	64.3	175.9	-165.4	159.5	-132	0	0	111.5	S176 R177 P268	S176-E252 WeakPolarHBondContact CB-OE2 3.26Å; S176-E252 PolarHBondContact OG-OE2 3.11Å; R177-E252 HydrophobicContact CB-CB 4.25Å; R177-E252 HydrophobicContact CG-CB 4.39Å; R177-E252 WeakPolarHBondContact CG-OE2 3.49Å; R177-E252 IonicContact CZ-OE1 3.8Å; R177-E252 IonicContact NE-OE1 3.37Å; R177-E252 PolarHBondContact NE-OE1 2.8Å; R177-E252 IonicContact NE-OE2 3.21Å; R177-E252 IonicContact NH2-OE1 2.76Å; R177-E252 PolarHBondContact NH2-OE1 3.37Å; E252-P268 HydrophobicContact CG-CG 4.34Å
253	L	96.4	Very high	96.9	Very high	6 Å²	6	32 Å²	32	3%	0.031	17%	0.166	C	C	.	.			trans	-95.2	126.2	-177.9	-60.1	178.4	0	0	0	112.2	L179 T216 L218 V249 G251 W265 V304	L179-L253 HydrophobicContact CD1-CD2 4.31Å; T216-L253 HydrophobicContact CG2-CB 4.26Å; T216-L253 PolarHBondContact OG1-O 3.19Å; T216-L253 VanDerWaalsContact OG1-O 3.12Å; L218-L253 HydrophobicContact CD1-CD1 3.66Å; L218-L253 HydrophobicContact CG-CD1 4.28Å; V249-L253 HydrophobicContact CG1-CD1 3.94Å; V249-L253 HydrophobicContact CG2-CD1 3.96Å; G251-L253 PolarHBondContact O-N 3.12Å; L253-W265 HydrophobicContact CB-CE3 4.44Å; L253-V304 HydrophobicContact CD1-CG2 4.04Å; L253-V304 HydrophobicContact CD2-CG2 4.38Å
254	Q	96.9	Very high	97	Very high	103 Å²	103	31.6 Å²	31.6	48%	0.481	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	167.8	167	-65.7	-173.7	12.1	0	0	110.1	W265 A266 P268 L271	Q254-W265 WeakPolarHBondContact O-CA 3.49Å; Q254-A266 PolarHBondContact N-O 3.13Å; Q254-A266 PolarHBondContact O-N 2.79Å; Q254-P268 HydrophobicContact CG-CG 4.15Å; Q254-L271 HydrophobicContact CB-CD2 3.85Å
255	H	97.3	Very high	97	Very high	78 Å²	78	32.7 Å²	32.7	36%	0.361	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	165	-179.1	65.4	-99.9	0	0	0	115.1	R263 V264 W265	H255-R263 HydrophobicContact CB-CG 3.83Å; H255-R263 PolarHBondContact CD2-NE 3.02Å; H255-R263 PolarHBondContact CD2-NH1 2.81Å; H255-R263 PolarHBondContact NE2-NH1 3.34Å; H255-V264 WeakPolarHBondContact CA-O 3.37Å; H255-V264 VanDerWaalsContact CB-O 3.3Å; H255-V264 WeakPolarHBondContact CB-O 3.15Å; H255-W265 HydrophobicContact CB-CD2 3.67Å; H255-W265 HydrophobicContact CB-CE3 3.58Å; H255-W265 HydrophobicContact CB-CG 4.22Å; H255-W265 HydrophobicContact CB-CH2 4.27Å; H255-W265 HydrophobicContact CB-CZ2 4.35Å; H255-W265 HydrophobicContact CB-CZ3 3.89Å; H255-W265 AromaticContact CE1-CH2 3.88Å; H255-W265 AromaticContact CG-CH2 3.93Å; H255-W265 AromaticContact CG-CZ3 3.82Å; H255-W265 AromaticContact ND1-CE3 3.78Å; H255-W265 AromaticContact ND1-CH2 3.26Å; H255-W265 VanDerWaalsContact ND1-CH2 3.26Å; H255-W265 WeakPolarHBondContact ND1-CH2 3.32Å; H255-W265 AromaticContact ND1-CZ2 4Å; H255-W265 AromaticContact ND1-CZ3 3.11Å; H255-W265 WeakPolarHBondContact ND1-CZ3 3.48Å
256	M	97.8	Very high	97	Very high	100 Å²	100	32.7 Å²	32.7	49%	0.493	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	132.4	166.5	-167.8	66.2	61.9	0	0	108.8	R263 V264 L271 V275	M256-R263 WeakPolarHBondContact O-CA 3.28Å; M256-R263 WeakPolarHBondContact O-CG 3.4Å; M256-V264 PolarHBondContact N-O 3.26Å; M256-V264 PolarHBondContact O-N 3.12Å; M256-L271 HydrophobicContact CB-CD1 4.31Å; M256-V275 HydrophobicContact CB-CG2 3.54Å; M256-V275 HydrophobicContact CG-CG1 4.29Å; M256-V275 HydrophobicContact CG-CG2 4.02Å
257	D	97.5	Very high	96.9	Very high	75 Å²	75	32.9 Å²	32.9	40%	0.401	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.5	169.4	-64.7	-70.8	0	0	0	109.5	R263 R300	D257-R263 VanDerWaalsContact CG-NH2 3.33Å; D257-R263 IonicContact OD1-CZ 3.26Å; D257-R263 IonicContact OD1-NE 2.61Å; D257-R263 PolarHBondContact OD1-NE 2.77Å; D257-R263 IonicContact OD1-NH2 3.17Å; D257-R263 PolarHBondContact OD1-NH2 3.47Å; D257-R263 VanDerWaalsContact OD1-NH2 3.14Å; D257-R263 IonicContact OD2-CZ 2.72Å; D257-R263 IonicContact OD2-NE 3.04Å; D257-R263 PolarHBondContact OD2-NE 3.27Å; D257-R263 IonicContact OD2-NH2 3.71Å; D257-R263 PolarHBondContact OD2-NH2 2.94Å; D257-R300 IonicContact OD1-CZ 3.86Å; D257-R300 IonicContact OD1-NH1 2.76Å; D257-R300 IonicContact OD1-NH2 2.8Å; D257-R300 PolarHBondContact OD1-NH2 2.9Å
258	I	96.1	Very high	96.8	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.082	18%	0.184	C	C	.	.			trans	-112.1	-7.2	-177.5	54	157.4	0	0	0	113	S262 V264 V275 L278 G280 V282	I258-S262 WeakPolarHBondContact CG1-O 3.49Å; I258-S262 PolarHBondContact N-O 3.48Å; I258-V264 HydrophobicContact CD1-CG2 3.91Å; I258-V264 HydrophobicContact CG1-CG2 4.29Å; I258-V264 HydrophobicContact CG2-CB 4.43Å; I258-V264 HydrophobicContact CG2-CG2 3.77Å; I258-V275 HydrophobicContact CG2-CG1 4.4Å; I258-V275 HydrophobicContact CG2-CG2 4.22Å; I258-L278 HydrophobicContact CD1-CB 3.79Å; I258-G280 PolarHBondContact O-N 3.48Å; I258-V282 HydrophobicContact CD1-CB 3.84Å; I258-V282 HydrophobicContact CD1-CG1 4.45Å; I258-V282 HydrophobicContact CD1-CG2 3.56Å
259	G	94.6	Very high	96.6	Very high	21 Å²	21	38.5 Å²	38.5	22%	0.216	21%	0.206	C	C	.	.	S	Bend	trans	-161.4	-179.9	175.3	0	0	0	0	0	110.5	R261 S262	G259-R261 PolarHBondContact O-N 2.91Å; G259-S262 WeakPolarHBondContact CA-OG 3.41Å; G259-S262 PolarHBondContact N-O 3.21Å; G259-S262 PolarHBondContact N-OG 3.26Å
260	P	95.4	Very high	96.5	Very high	114 Å²	114	40.1 Å²	40.1	74%	0.74	21%	0.214	S	C	*	.	S	Bend	trans	-64.6	-24	-176.9	26.8	-35.6	0	0	0	114	E283	P260-E283 VanDerWaalsContact CD-OE2 3.31Å; P260-E283 WeakPolarHBondContact CD-OE2 3.4Å; P260-E283 VanDerWaalsContact CG-CD 3.48Å; P260-E283 HydrophobicContact CG-CG 3.83Å; P260-E283 WeakPolarHBondContact CG-OE2 3.38Å
261	R	95.2	Very high	96.4	Very high	52 Å²	52	41 Å²	41	20%	0.196	22%	0.219	C	C	.	.	S	Bend	trans	-134.8	16.1	179.8	56.4	176.2	162	178.9	-5.3	113.6	G259 E283 E290 R300 C301	G259-R261 PolarHBondContact O-N 2.91Å; R261-E283 VanDerWaalsContact CG-OE2 3.25Å; R261-E283 WeakPolarHBondContact CG-OE2 3.46Å; R261-E283 IonicContact CZ-OE1 3.38Å; R261-E283 IonicContact NE-OE1 3.21Å; R261-E283 PolarHBondContact NE-OE1 3.21Å; R261-E283 IonicContact NE-OE2 2.76Å; R261-E283 PolarHBondContact NE-OE2 2.77Å; R261-E283 IonicContact NH2-OE1 3.61Å; R261-E283 PolarHBondContact NH2-OE1 2.84Å; R261-E290 IonicContact CZ-OE1 2.67Å; R261-E290 IonicContact CZ-OE2 3.14Å; R261-E290 VanDerWaalsContact CZ-OE2 3.26Å; R261-E290 IonicContact NH1-OE1 2.71Å; R261-E290 PolarHBondContact NH1-OE1 3.29Å; R261-E290 IonicContact NH1-OE2 2.79Å; R261-E290 PolarHBondContact NH1-OE2 3.15Å; R261-E290 IonicContact NH2-OE2 2.73Å; R261-E290 PolarHBondContact NH2-OE2 3.35Å; R261-R300 CarbonylContact O-C 3.58Å; R261-R300 VanDerWaalsContact O-CA 3.27Å; R261-R300 WeakPolarHBondContact O-CA 3.47Å; R261-C301 PolarHBondContact O-N 3.03Å
262	S	96.3	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.8	-173.6	48.9	0	0	0	0	112.5	I258 G259 C301	I258-S262 WeakPolarHBondContact CG1-O 3.49Å; I258-S262 PolarHBondContact N-O 3.48Å; G259-S262 WeakPolarHBondContact CA-OG 3.41Å; G259-S262 PolarHBondContact N-O 3.21Å; G259-S262 PolarHBondContact N-OG 3.26Å; S262-C301 WeakPolarHBondContact CA-O 3.49Å; S262-C301 WeakPolarHBondContact CB-O 3.41Å
263	R	96.4	Very high	96.5	Very high	44 Å²	44	45.2 Å²	45.2	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	142.9	-170.9	166.3	-177.4	-69.6	-164.2	-2.5	111.3	H255 M256 D257 W265 D302 I303	H255-R263 HydrophobicContact CB-CG 3.83Å; H255-R263 PolarHBondContact CD2-NE 3.02Å; H255-R263 PolarHBondContact CD2-NH1 2.81Å; H255-R263 PolarHBondContact NE2-NH1 3.34Å; M256-R263 WeakPolarHBondContact O-CA 3.28Å; M256-R263 WeakPolarHBondContact O-CG 3.4Å; D257-R263 VanDerWaalsContact CG-NH2 3.33Å; D257-R263 IonicContact OD1-CZ 3.26Å; D257-R263 IonicContact OD1-NE 2.61Å; D257-R263 PolarHBondContact OD1-NE 2.77Å; D257-R263 IonicContact OD1-NH2 3.17Å; D257-R263 PolarHBondContact OD1-NH2 3.47Å; D257-R263 VanDerWaalsContact OD1-NH2 3.14Å; D257-R263 IonicContact OD2-CZ 2.72Å; D257-R263 IonicContact OD2-NE 3.04Å; D257-R263 PolarHBondContact OD2-NE 3.27Å; D257-R263 IonicContact OD2-NH2 3.71Å; D257-R263 PolarHBondContact OD2-NH2 2.94Å; R263-W265 VanDerWaalsContact CD-CE2 3.44Å; R263-W265 VanDerWaalsContact CD-NE1 3.34Å; R263-D302 HydrophobicContact CB-CB 4.49Å; R263-D302 WeakPolarHBondContact CD-OD2 3.29Å; R263-D302 CarbonylContact O-C 3.49Å; R263-D302 VanDerWaalsContact O-CA 3.3Å; R263-D302 WeakPolarHBondContact O-CA 3.4Å; R263-I303 PolarHBondContact O-N 3.07Å
264	V	97.7	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.3	168.8	174.3	0	0	0	0	109.1	H255 M256 I258 L271 A274 V275 L278 I303 F305	H255-V264 WeakPolarHBondContact CA-O 3.37Å; H255-V264 VanDerWaalsContact CB-O 3.3Å; H255-V264 WeakPolarHBondContact CB-O 3.15Å; M256-V264 PolarHBondContact N-O 3.26Å; M256-V264 PolarHBondContact O-N 3.12Å; I258-V264 HydrophobicContact CD1-CG2 3.91Å; I258-V264 HydrophobicContact CG1-CG2 4.29Å; I258-V264 HydrophobicContact CG2-CB 4.43Å; I258-V264 HydrophobicContact CG2-CG2 3.77Å; V264-L271 HydrophobicContact CB-CD1 4.36Å; V264-L271 HydrophobicContact CG1-CD1 3.95Å; V264-A274 HydrophobicContact CG1-CB 3.64Å; V264-V275 HydrophobicContact CB-CG2 4.31Å; V264-L278 HydrophobicContact CG2-CB 4.3Å; V264-L278 HydrophobicContact CG2-CD1 3.92Å; V264-I303 CarbonylContact C-O 3.19Å; V264-I303 WeakPolarHBondContact CA-O 3.46Å; V264-F305 HydrophobicContact CG1-CD2 3.98Å; V264-F305 HydrophobicContact CG1-CE2 4.06Å
265	W	98.3	Very high	96.5	Very high	26 Å²	26	41.9 Å²	41.9	10%	0.098	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.7	163.8	-61.2	86.7	0	0	0	109.4	T216 L218 L253 Q254 H255 R263 D302 I303 V304 F305	T216-W265 HydrophobicContact CG2-CE3 4.36Å; T216-W265 HydrophobicContact CG2-CZ3 3.84Å; L218-W265 HydrophobicContact CD1-CB 3.79Å; L218-W265 HydrophobicContact CD1-CD2 3.47Å; L218-W265 VanDerWaalsContact CD1-CD2 3.47Å; L218-W265 HydrophobicContact CD1-CE3 3.78Å; L218-W265 HydrophobicContact CD1-CG 3.48Å; L218-W265 VanDerWaalsContact CD1-CG 3.48Å; L218-W265 HydrophobicContact CD2-CD2 3.76Å; L218-W265 HydrophobicContact CD2-CE3 3.77Å; L218-W265 HydrophobicContact CD2-CH2 3.6Å; L218-W265 HydrophobicContact CD2-CZ2 3.56Å; L218-W265 HydrophobicContact CD2-CZ3 3.7Å; L218-W265 HydrophobicContact CG-CD2 4.26Å; L218-W265 HydrophobicContact CG-CE3 4.31Å; L253-W265 HydrophobicContact CB-CE3 4.44Å; Q254-W265 WeakPolarHBondContact O-CA 3.49Å; H255-W265 HydrophobicContact CB-CD2 3.67Å; H255-W265 HydrophobicContact CB-CE3 3.58Å; H255-W265 HydrophobicContact CB-CG 4.22Å; H255-W265 HydrophobicContact CB-CH2 4.27Å; H255-W265 HydrophobicContact CB-CZ2 4.35Å; H255-W265 HydrophobicContact CB-CZ3 3.89Å; H255-W265 AromaticContact CE1-CH2 3.88Å; H255-W265 AromaticContact CG-CH2 3.93Å; H255-W265 AromaticContact CG-CZ3 3.82Å; H255-W265 AromaticContact ND1-CE3 3.78Å; H255-W265 AromaticContact ND1-CH2 3.26Å; H255-W265 VanDerWaalsContact ND1-CH2 3.26Å; H255-W265 WeakPolarHBondContact ND1-CH2 3.32Å; H255-W265 AromaticContact ND1-CZ2 4Å; H255-W265 AromaticContact ND1-CZ3 3.11Å; H255-W265 WeakPolarHBondContact ND1-CZ3 3.48Å; R263-W265 VanDerWaalsContact CD-CE2 3.44Å; R263-W265 VanDerWaalsContact CD-NE1 3.34Å; W265-D302 PolarHBondContact NE1-OD2 3.42Å; W265-I303 PolarHBondContact N-O 2.8Å; W265-V304 HydrophobicContact CB-CB 3.95Å; W265-V304 HydrophobicContact CB-CG2 3.87Å; W265-V304 WeakPolarHBondContact O-CA 3.31Å; W265-F305 PolarHBondContact O-N 2.84Å
266	A	97.6	Very high	96.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	166.7	177.6	0	0	0	0	0	111.4	Q254 L270 L271 F305	Q254-A266 PolarHBondContact N-O 3.13Å; Q254-A266 PolarHBondContact O-N 2.79Å; A266-L270 HydrophobicContact CB-CB 4.08Å; A266-L271 HydrophobicContact CB-CB 4.27Å; A266-L271 HydrophobicContact CB-CD1 4.42Å; A266-F305 HydrophobicContact CB-CB 4.35Å
267	E	96.6	Very high	96.2	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.014	25%	0.248	C	C	.	.			trans	-60.8	151.1	160.9	-69.7	-178	-108.6	0	0	110.9	T172 C173 G174 C269 L270 L271 P307	T172-E267 WeakPolarHBondContact CB-OE2 3.27Å; C173-E267 VanDerWaalsContact CB-OE1 3.23Å; C173-E267 WeakPolarHBondContact CB-OE1 3.36Å; C173-E267 VanDerWaalsContact N-CD 3.31Å; C173-E267 PolarHBondContact N-OE1 3.05Å; C173-E267 PolarHBondContact N-OE2 3.33Å; C173-E267 VanDerWaalsContact N-OE2 3.08Å; C173-E267 PolarHBondContact SG-OE1 3.02Å; C173-E267 VanDerWaalsContact SG-OE1 3.4Å; G174-E267 PolarHBondContact N-OE2 3.35Å; E267-C269 PolarHBondContact O-N 3.38Å; E267-L270 PolarHBondContact O-N 2.87Å; E267-L271 PolarHBondContact O-N 3.1Å; E267-P307 WeakPolarHBondContact OE1-CG 3.37Å
268	P	95.4	Very high	96.1	Very high	51 Å²	51	41.1 Å²	41.1	33%	0.331	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.1	-169.5	-23.5	34.1	0	0	0	114.4	E252 Q254 L270	E252-P268 HydrophobicContact CG-CG 4.34Å; Q254-P268 HydrophobicContact CG-CG 4.15Å; P268-L270 VanDerWaalsContact C-N 3.32Å
269	C	95.5	Very high	95.9	Very high	69 Å²	69	42.4 Å²	42.4	47%	0.466	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.1	177.8	55.5	0	0	0	0	114.1	C173 G174 E267	C173-C269 VanDerWaalsContact C-SG 3.57Å; G174-C269 PolarHBondContact N-SG 3.49Å; E267-C269 PolarHBondContact O-N 3.38Å
270	L	96	Very high	95.4	Very high	33 Å²	33	43.5 Å²	43.5	17%	0.173	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-26.5	-176.2	-65.5	178.6	0	0	0	113.7	C173 A266 E267 P268 S272 C273 A274 A325 L328	C173-L270 HydrophobicContact CB-CD1 3.86Å; C173-L270 HydrophobicContact CB-CG 4.22Å; A266-L270 HydrophobicContact CB-CB 4.08Å; E267-L270 PolarHBondContact O-N 2.87Å; P268-L270 VanDerWaalsContact C-N 3.32Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 3.14Å; L270-S272 VanDerWaalsContact O-N 3.17Å; L270-C273 WeakPolarHBondContact O-CB 3.41Å; L270-C273 PolarHBondContact O-N 3.15Å; L270-A274 PolarHBondContact O-N 2.75Å; L270-A325 HydrophobicContact CD1-CB 3.51Å; L270-L328 HydrophobicContact CB-CD1 4.24Å; L270-L328 HydrophobicContact CD1-CD1 4.36Å; L270-L328 HydrophobicContact CD2-CD1 4.16Å; L270-L328 HydrophobicContact CG-CD1 4.5Å
271	L	96.7	Very high	95.3	Very high	18 Å²	18	39.8 Å²	39.8	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-52.8	-43.3	-169.3	-178.1	62.8	0	0	0	113.3	Q254 M256 V264 A266 E267 C273 A274 V275	Q254-L271 HydrophobicContact CB-CD2 3.85Å; M256-L271 HydrophobicContact CB-CD1 4.31Å; V264-L271 HydrophobicContact CB-CD1 4.36Å; V264-L271 HydrophobicContact CG1-CD1 3.95Å; A266-L271 HydrophobicContact CB-CB 4.27Å; A266-L271 HydrophobicContact CB-CD1 4.42Å; E267-L271 PolarHBondContact O-N 3.1Å; L271-C273 PolarHBondContact O-N 3.48Å; L271-A274 PolarHBondContact O-N 3.14Å; L271-V275 HydrophobicContact CD1-CG2 3.96Å; L271-V275 HydrophobicContact CG-CG2 4.33Å; L271-V275 WeakPolarHBondContact O-CB 3.33Å; L271-V275 WeakPolarHBondContact O-CG2 3.06Å; L271-V275 PolarHBondContact O-N 3.13Å
272	S	96.8	Very high	95.3	Very high	91 Å²	91	37.3 Å²	37.3	64%	0.636	23%	0.225	S	C	*	.	H	α-helix	trans	-66.9	-33.5	179.9	58.7	0	0	0	0	113.5	L270 K276	L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 3.14Å; L270-S272 VanDerWaalsContact O-N 3.17Å; S272-K276 WeakPolarHBondContact O-CB 3.23Å; S272-K276 PolarHBondContact O-N 2.87Å
273	C	95.9	Very high	95.3	Very high	50 Å²	50	39.3 Å²	39.3	34%	0.338	23%	0.234	S	C	.	.	H	α-helix	trans	-70.7	-49.3	175	-173.5	0	0	0	0	110.8	L270 L271 V275 K276 K277	L270-C273 WeakPolarHBondContact O-CB 3.41Å; L270-C273 PolarHBondContact O-N 3.15Å; L271-C273 PolarHBondContact O-N 3.48Å; C273-V275 PolarHBondContact O-N 3.47Å; C273-K276 WeakPolarHBondContact O-CB 3.32Å; C273-K276 PolarHBondContact O-N 3.44Å; C273-K276 VanDerWaalsContact O-N 3.17Å; C273-K277 PolarHBondContact O-N 3.34Å
274	A	96	Very high	95.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-43.1	-179.2	0	0	0	0	0	112.5	V264 L270 L271 K276 K277 L278 F305 L328	V264-A274 HydrophobicContact CG1-CB 3.64Å; L270-A274 PolarHBondContact O-N 2.75Å; L271-A274 PolarHBondContact O-N 3.14Å; A274-K276 VanDerWaalsContact C-N 3.35Å; A274-K276 PolarHBondContact O-N 3.44Å; A274-K277 PolarHBondContact O-N 3.26Å; A274-L278 PolarHBondContact O-N 3.4Å; A274-F305 HydrophobicContact CB-CD2 3.74Å; A274-F305 HydrophobicContact CB-CE2 3.57Å; A274-F305 HydrophobicContact CB-CZ 4.33Å; A274-L328 HydrophobicContact CB-CD1 4.26Å; A274-L328 HydrophobicContact CB-CD2 3.87Å
275	V	96.6	Very high	95.1	Very high	39 Å²	39	43.9 Å²	43.9	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-41.4	173.3	170.3	0	0	0	0	111.7	M256 I258 V264 L271 C273 K277 L278 G279	M256-V275 HydrophobicContact CB-CG2 3.54Å; M256-V275 HydrophobicContact CG-CG1 4.29Å; M256-V275 HydrophobicContact CG-CG2 4.02Å; I258-V275 HydrophobicContact CG2-CG1 4.4Å; I258-V275 HydrophobicContact CG2-CG2 4.22Å; V264-V275 HydrophobicContact CB-CG2 4.31Å; L271-V275 HydrophobicContact CD1-CG2 3.96Å; L271-V275 HydrophobicContact CG-CG2 4.33Å; L271-V275 WeakPolarHBondContact O-CB 3.33Å; L271-V275 WeakPolarHBondContact O-CG2 3.06Å; L271-V275 PolarHBondContact O-N 3.13Å; C273-V275 PolarHBondContact O-N 3.47Å; V275-K277 VanDerWaalsContact C-N 3.27Å; V275-K277 PolarHBondContact O-N 3.44Å; V275-L278 PolarHBondContact O-N 2.75Å; V275-G279 PolarHBondContact O-N 3.46Å
276	K	95.7	Very high	95	Very high	187 Å²	187	42.6 Å²	42.6	81%	0.813	25%	0.247	S	C	*	.	H	α-helix	trans	-63.1	-31.9	176.6	-176.7	-175.4	174.5	-170.2	0	112.5	S272 C273 A274	S272-K276 WeakPolarHBondContact O-CB 3.23Å; S272-K276 PolarHBondContact O-N 2.87Å; C273-K276 WeakPolarHBondContact O-CB 3.32Å; C273-K276 PolarHBondContact O-N 3.44Å; C273-K276 VanDerWaalsContact O-N 3.17Å; A274-K276 VanDerWaalsContact C-N 3.35Å; A274-K276 PolarHBondContact O-N 3.44Å
277	K	93.7	Very high	95	Very high	49 Å²	49	43.8 Å²	43.8	21%	0.213	26%	0.259	C	S	.	.	H	α-helix	trans	-83.9	-34.2	178.8	-68.5	-158.1	178.4	-154.8	0	114.1	C273 A274 V275 L328 E329 S330 S331 L334	C273-K277 PolarHBondContact O-N 3.34Å; A274-K277 PolarHBondContact O-N 3.26Å; V275-K277 VanDerWaalsContact C-N 3.27Å; V275-K277 PolarHBondContact O-N 3.44Å; K277-L328 WeakPolarHBondContact CE-O 3.11Å; K277-L328 PolarHBondContact NZ-O 3.47Å; K277-E329 PolarHBondContact NZ-O 3.45Å; K277-S330 PolarHBondContact NZ-O 3.44Å; K277-S331 WeakPolarHBondContact CE-OG 3.4Å; K277-S331 PolarHBondContact NZ-OG 2.85Å; K277-L334 HydrophobicContact CB-CD2 3.72Å; K277-L334 HydrophobicContact CD-CD2 3.56Å; K277-L334 HydrophobicContact CG-CD2 4.28Å
278	L	95	Very high	95	Very high	1 Å²	1	45 Å²	45	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-106.2	-11.4	-171.5	-63.1	-179.8	0	0	0	115.5	I258 V264 A274 V275 G280 S281 V282 W285 I303 F305 L334 V338	I258-L278 HydrophobicContact CD1-CB 3.79Å; V264-L278 HydrophobicContact CG2-CB 4.3Å; V264-L278 HydrophobicContact CG2-CD1 3.92Å; A274-L278 PolarHBondContact O-N 3.4Å; V275-L278 PolarHBondContact O-N 2.75Å; L278-G280 PolarHBondContact O-N 3.17Å; L278-S281 PolarHBondContact O-N 2.94Å; L278-V282 HydrophobicContact CB-CG2 4.18Å; L278-V282 HydrophobicContact CD2-CG2 4.31Å; L278-W285 HydrophobicContact CD2-CH2 4.33Å; L278-W285 HydrophobicContact CD2-CZ3 4.16Å; L278-I303 HydrophobicContact CD1-CD1 3.91Å; L278-I303 HydrophobicContact CD1-CG2 4.38Å; L278-F305 HydrophobicContact CD1-CE2 3.88Å; L278-F305 HydrophobicContact CD1-CZ 3.86Å; L278-L334 HydrophobicContact CD2-CD1 4.38Å; L278-L334 HydrophobicContact CD2-CD2 4.16Å; L278-L334 HydrophobicContact CD2-CG 4.18Å; L278-L334 HydrophobicContact CG-CD2 4.48Å; L278-V338 HydrophobicContact CD2-CG2 4.21Å
279	G	92	Very high	95.1	Very high	43 Å²	43	42.5 Å²	42.5	44%	0.443	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	118.5	-178.6	0	0	0	0	0	113.6	V275 S281	V275-G279 PolarHBondContact O-N 3.46Å; G279-S281 PolarHBondContact O-N 3.45Å
280	G	85.6	Confident	95.1	Very high	44 Å²	44	41.4 Å²	41.4	45%	0.454	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-31	-178	0	0	0	0	0	115.6	I258 L278 V282 E283 R284	I258-G280 PolarHBondContact O-N 3.48Å; L278-G280 PolarHBondContact O-N 3.17Å; G280-V282 PolarHBondContact O-N 2.96Å; G280-E283 PolarHBondContact O-N 2.93Å; G280-R284 PolarHBondContact O-N 3.47Å
281	S	92.8	Very high	95.1	Very high	35 Å²	35	46 Å²	46	25%	0.245	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-43.5	-177.5	-55.4	0	0	0	0	113.1	L278 G279 E283 R284 W285	L278-S281 PolarHBondContact O-N 2.94Å; G279-S281 PolarHBondContact O-N 3.45Å; S281-E283 VanDerWaalsContact C-N 3.33Å; S281-E283 PolarHBondContact O-N 2.99Å; S281-R284 WeakPolarHBondContact O-CB 2.94Å; S281-R284 PolarHBondContact O-N 3.04Å; S281-R284 VanDerWaalsContact O-N 3.15Å; S281-W285 VanDerWaalsContact O-CD2 3.25Å; S281-W285 PolarHBondContact O-N 3.06Å; S281-W285 VanDerWaalsContact O-N 3.09Å
282	V	95.3	Very high	95	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-38.3	-177.5	173.5	0	0	0	0	112.2	I258 L278 G280 W285 L286 I303 V338 I342	I258-V282 HydrophobicContact CD1-CB 3.84Å; I258-V282 HydrophobicContact CD1-CG1 4.45Å; I258-V282 HydrophobicContact CD1-CG2 3.56Å; L278-V282 HydrophobicContact CB-CG2 4.18Å; L278-V282 HydrophobicContact CD2-CG2 4.31Å; G280-V282 PolarHBondContact O-N 2.96Å; V282-W285 HydrophobicContact CG2-CE3 4.12Å; V282-W285 HydrophobicContact CG2-CZ3 4Å; V282-W285 PolarHBondContact O-N 3.17Å; V282-L286 HydrophobicContact CG1-CD1 3.88Å; V282-L286 HydrophobicContact CG1-CG 4.47Å; V282-L286 WeakPolarHBondContact O-CB 3.46Å; V282-L286 WeakPolarHBondContact O-CG 3.47Å; V282-L286 PolarHBondContact O-N 3.46Å; V282-I303 HydrophobicContact CG1-CD1 4.49Å; V282-I303 HydrophobicContact CG2-CD1 3.85Å; V282-V338 HydrophobicContact CG2-CG1 4.15Å; V282-I342 HydrophobicContact CG1-CD1 4.29Å
283	E	95.1	Very high	94.9	Very high	41 Å²	41	41.5 Å²	41.5	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-70.1	-34.1	177.3	-166.2	63.3	-142.6	0	0	112.3	P260 R261 G280 S281 G287	P260-E283 VanDerWaalsContact CD-OE2 3.31Å; P260-E283 WeakPolarHBondContact CD-OE2 3.4Å; P260-E283 VanDerWaalsContact CG-CD 3.48Å; P260-E283 HydrophobicContact CG-CG 3.83Å; P260-E283 WeakPolarHBondContact CG-OE2 3.38Å; R261-E283 VanDerWaalsContact CG-OE2 3.25Å; R261-E283 WeakPolarHBondContact CG-OE2 3.46Å; R261-E283 IonicContact CZ-OE1 3.38Å; R261-E283 IonicContact NE-OE1 3.21Å; R261-E283 PolarHBondContact NE-OE1 3.21Å; R261-E283 IonicContact NE-OE2 2.76Å; R261-E283 PolarHBondContact NE-OE2 2.77Å; R261-E283 IonicContact NH2-OE1 3.61Å; R261-E283 PolarHBondContact NH2-OE1 2.84Å; G280-E283 PolarHBondContact O-N 2.93Å; S281-E283 VanDerWaalsContact C-N 3.33Å; S281-E283 PolarHBondContact O-N 2.99Å; E283-G287 PolarHBondContact O-N 3.12Å
284	R	95.1	Very high	94.8	Very high	136 Å²	136	39.6 Å²	39.6	51%	0.513	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-45.2	173.2	177.9	-175	-177.8	156.1	0.3	111	G280 S281 V288 A377	G280-R284 PolarHBondContact O-N 3.47Å; S281-R284 WeakPolarHBondContact O-CB 2.94Å; S281-R284 PolarHBondContact O-N 3.04Å; S281-R284 VanDerWaalsContact O-N 3.15Å; R284-V288 WeakPolarHBondContact O-CG2 3.47Å; R284-V288 PolarHBondContact O-N 2.8Å; R284-V288 VanDerWaalsContact O-N 3.16Å; R284-A377 PolarHBondContact NE-O 3.48Å; R284-A377 PolarHBondContact NH2-O 2.67Å
285	W	96	Very high	94.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-40.7	179.3	-55.1	-35.8	0	0	0	112	L278 S281 V282 V288 A289 L335 V338 I339 I342 I373 Y378	L278-W285 HydrophobicContact CD2-CH2 4.33Å; L278-W285 HydrophobicContact CD2-CZ3 4.16Å; S281-W285 VanDerWaalsContact O-CD2 3.25Å; S281-W285 PolarHBondContact O-N 3.06Å; S281-W285 VanDerWaalsContact O-N 3.09Å; V282-W285 HydrophobicContact CG2-CE3 4.12Å; V282-W285 HydrophobicContact CG2-CZ3 4Å; V282-W285 PolarHBondContact O-N 3.17Å; W285-V288 PolarHBondContact O-N 3.37Å; W285-A289 WeakPolarHBondContact O-CB 3.4Å; W285-A289 PolarHBondContact O-N 2.94Å; W285-L335 HydrophobicContact CH2-CB 4.27Å; W285-L335 HydrophobicContact CH2-CD1 4.43Å; W285-L335 HydrophobicContact CH2-CG 4.09Å; W285-L335 HydrophobicContact CZ2-CB 4.31Å; W285-L335 HydrophobicContact CZ2-CD1 3.72Å; W285-L335 HydrophobicContact CZ2-CG 3.65Å; W285-V338 HydrophobicContact CE3-CG1 3.85Å; W285-V338 HydrophobicContact CZ3-CB 4.01Å; W285-V338 HydrophobicContact CZ3-CG1 3.58Å; W285-I339 HydrophobicContact CB-CG1 4.17Å; W285-I339 HydrophobicContact CD2-CD1 3.94Å; W285-I339 HydrophobicContact CD2-CG1 3.61Å; W285-I339 HydrophobicContact CE3-CG1 3.93Å; W285-I339 HydrophobicContact CG-CD1 3.97Å; W285-I339 HydrophobicContact CG-CG1 3.71Å; W285-I339 HydrophobicContact CZ2-CD1 4.4Å; W285-I342 HydrophobicContact CB-CD1 3.79Å; W285-I342 HydrophobicContact CE3-CD1 4.07Å; W285-I373 HydrophobicContact CB-CG2 4.31Å; W285-Y378 AromaticContact NE1-CE2 3.75Å; W285-Y378 AromaticContact NE1-CZ 3.71Å; W285-Y378 PolarHBondContact NE1-OH 3.26Å
286	L	96.5	Very high	94.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-45.8	173.4	-75.9	163.9	0	0	0	112.4	V282 V288 A289 E290 Y296 C301 I342	V282-L286 HydrophobicContact CG1-CD1 3.88Å; V282-L286 HydrophobicContact CG1-CG 4.47Å; V282-L286 WeakPolarHBondContact O-CB 3.46Å; V282-L286 WeakPolarHBondContact O-CG 3.47Å; V282-L286 PolarHBondContact O-N 3.46Å; L286-V288 PolarHBondContact O-N 3.47Å; L286-A289 PolarHBondContact O-N 2.85Å; L286-E290 WeakPolarHBondContact O-CG 3.15Å; L286-E290 PolarHBondContact O-N 2.93Å; L286-Y296 HydrophobicContact CD2-CD1 4.47Å; L286-Y296 HydrophobicContact CD2-CD2 3.75Å; L286-Y296 HydrophobicContact CD2-CE2 3.8Å; L286-Y296 HydrophobicContact CD2-CG 4.09Å; L286-C301 HydrophobicContact CD1-CB 3.74Å; L286-C301 HydrophobicContact CD2-CB 4.2Å; L286-I342 HydrophobicContact CD2-CG1 4.26Å; L286-I342 HydrophobicContact CD2-CG2 3.93Å; L286-I342 HydrophobicContact CG-CD1 4.29Å; L286-I342 HydrophobicContact CG-CG1 4.48Å; L286-I342 HydrophobicContact CG-CG2 4.46Å
287	G	96.6	Very high	94.6	Very high	24 Å²	24	36.3 Å²	36.3	25%	0.247	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-45.4	178	0	0	0	0	0	112.6	E283 A289 E290 D291	E283-G287 PolarHBondContact O-N 3.12Å; G287-A289 VanDerWaalsContact C-N 3.35Å; G287-A289 PolarHBondContact O-N 3.02Å; G287-E290 PolarHBondContact O-N 2.91Å; G287-D291 PolarHBondContact O-N 3.45Å
288	V	96.5	Very high	94.6	Very high	28 Å²	28	34.1 Å²	34.1	17%	0.17	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-41.6	174.8	169.5	0	0	0	0	111.6	R284 W285 L286 E290 D291 L292 I373 E376 A377	R284-V288 WeakPolarHBondContact O-CG2 3.47Å; R284-V288 PolarHBondContact O-N 2.8Å; R284-V288 VanDerWaalsContact O-N 3.16Å; W285-V288 PolarHBondContact O-N 3.37Å; L286-V288 PolarHBondContact O-N 3.47Å; V288-E290 VanDerWaalsContact C-N 3.34Å; V288-E290 PolarHBondContact O-N 3.32Å; V288-D291 PolarHBondContact O-N 3.16Å; V288-L292 HydrophobicContact CG1-CD1 3.97Å; V288-L292 WeakPolarHBondContact O-CB 3.42Å; V288-L292 WeakPolarHBondContact O-CG 3.41Å; V288-L292 PolarHBondContact O-N 2.71Å; V288-I373 HydrophobicContact CB-CG2 4.44Å; V288-I373 HydrophobicContact CG1-CB 4.38Å; V288-I373 HydrophobicContact CG1-CG2 4.06Å; V288-E376 HydrophobicContact CG1-CB 3.6Å; V288-A377 HydrophobicContact CG2-CB 4.23Å
289	A	96.8	Very high	94.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-34.6	176	0	0	0	0	0	112.6	W285 L286 G287 L292 F293 I342 W346 I373	W285-A289 WeakPolarHBondContact O-CB 3.4Å; W285-A289 PolarHBondContact O-N 2.94Å; L286-A289 PolarHBondContact O-N 2.85Å; G287-A289 VanDerWaalsContact C-N 3.35Å; G287-A289 PolarHBondContact O-N 3.02Å; A289-L292 PolarHBondContact O-N 3.18Å; A289-F293 HydrophobicContact CB-CD2 4.45Å; A289-F293 WeakPolarHBondContact O-CB 3.3Å; A289-F293 WeakPolarHBondContact O-CD2 3.19Å; A289-F293 PolarHBondContact O-N 3.47Å; A289-I342 HydrophobicContact CB-CG2 3.97Å; A289-W346 HydrophobicContact CB-CE3 4.49Å; A289-W346 HydrophobicContact CB-CH2 3.42Å; A289-W346 VanDerWaalsContact CB-CH2 3.42Å; A289-W346 HydrophobicContact CB-CZ2 4.29Å; A289-W346 HydrophobicContact CB-CZ3 3.55Å; A289-I373 HydrophobicContact CB-CD1 3.6Å; A289-I373 HydrophobicContact CB-CG1 3.89Å
290	E	96.6	Very high	94.6	Very high	46 Å²	46	38.3 Å²	38.3	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-70.3	-39.8	174.5	-74.9	-174.9	132.2	0	0	113	R261 L286 G287 V288 L292 G294 Y296 W346	R261-E290 IonicContact CZ-OE1 2.67Å; R261-E290 IonicContact CZ-OE2 3.14Å; R261-E290 VanDerWaalsContact CZ-OE2 3.26Å; R261-E290 IonicContact NH1-OE1 2.71Å; R261-E290 PolarHBondContact NH1-OE1 3.29Å; R261-E290 IonicContact NH1-OE2 2.79Å; R261-E290 PolarHBondContact NH1-OE2 3.15Å; R261-E290 IonicContact NH2-OE2 2.73Å; R261-E290 PolarHBondContact NH2-OE2 3.35Å; L286-E290 WeakPolarHBondContact O-CG 3.15Å; L286-E290 PolarHBondContact O-N 2.93Å; G287-E290 PolarHBondContact O-N 2.91Å; V288-E290 VanDerWaalsContact C-N 3.34Å; V288-E290 PolarHBondContact O-N 3.32Å; E290-L292 VanDerWaalsContact C-N 3.32Å; E290-G294 WeakPolarHBondContact CA-O 3.36Å; E290-G294 CarbonylContact O-C 3.49Å; E290-G294 WeakPolarHBondContact O-CA 3.46Å; E290-G294 PolarHBondContact O-N 3.24Å; E290-Y296 VanDerWaalsContact OE1-CB 3.32Å; E290-Y296 WeakPolarHBondContact OE1-CB 3.43Å; E290-Y296 PolarHBondContact OE1-N 3.21Å; E290-W346 HydrophobicContact CG-CH2 4.28Å; E290-W346 HydrophobicContact CG-CZ2 3.96Å
291	D	95.5	Very high	95.1	Very high	130 Å²	130	36.3 Å²	36.3	70%	0.695	20%	0.2	S	C	*	.	H	α-helix	trans	-63.4	-39.8	173.2	-78	-30.6	0	0	0	111.2	G287 V288 K456	G287-D291 PolarHBondContact O-N 3.45Å; V288-D291 PolarHBondContact O-N 3.16Å; D291-K456 PolarHBondContact O-NZ 3.1Å
292	L	95.1	Very high	95.3	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	19%	0.191	C	C	.	.	H	α-helix	trans	-74.5	-42.5	178.4	-77.1	171.4	0	0	0	114.4	V288 A289 E290 R372 I373 E376 D452 K456	V288-L292 HydrophobicContact CG1-CD1 3.97Å; V288-L292 WeakPolarHBondContact O-CB 3.42Å; V288-L292 WeakPolarHBondContact O-CG 3.41Å; V288-L292 PolarHBondContact O-N 2.71Å; A289-L292 PolarHBondContact O-N 3.18Å; E290-L292 VanDerWaalsContact C-N 3.32Å; L292-R372 HydrophobicContact CD1-CB 4.04Å; L292-I373 HydrophobicContact CD1-CG1 3.98Å; L292-E376 HydrophobicContact CD1-CB 4.45Å; L292-E376 HydrophobicContact CD1-CG 3.98Å; L292-E376 HydrophobicContact CD2-CG 4.04Å; L292-E376 HydrophobicContact CG-CG 4.3Å; L292-D452 HydrophobicContact CD2-CB 4.21Å; L292-K456 WeakPolarHBondContact O-CE 3.43Å
293	F	95.1	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-123.6	0.4	-166.7	-49.3	-54.4	0	0	0	114.6	A289 W346 F347 A369 R372 I373 L455	A289-F293 HydrophobicContact CB-CD2 4.45Å; A289-F293 WeakPolarHBondContact O-CB 3.3Å; A289-F293 WeakPolarHBondContact O-CD2 3.19Å; A289-F293 PolarHBondContact O-N 3.47Å; F293-W346 HydrophobicContact CB-CD2 4.04Å; F293-W346 HydrophobicContact CB-CG 3.82Å; F293-W346 PolarHBondContact O-NE1 3.44Å; F293-F347 HydrophobicContact CB-CZ 4.49Å; F293-F347 HydrophobicContact CD1-CE2 4.04Å; F293-F347 AromaticContact CD1-CZ 3.84Å; F293-F347 HydrophobicContact CD1-CZ 3.84Å; F293-F347 HydrophobicContact CD2-CE2 4.09Å; F293-F347 HydrophobicContact CE1-CE2 4.26Å; F293-F347 HydrophobicContact CE1-CZ 4.26Å; F293-F347 HydrophobicContact CE2-CE2 4.3Å; F293-F347 AromaticContact CG-CE2 3.97Å; F293-F347 HydrophobicContact CG-CE2 3.97Å; F293-F347 HydrophobicContact CG-CZ 4.06Å; F293-F347 HydrophobicContact CZ-CE2 4.39Å; F293-A369 HydrophobicContact CD2-CB 4.44Å; F293-A369 HydrophobicContact CE1-CB 4.39Å; F293-A369 HydrophobicContact CE2-CB 3.57Å; F293-A369 HydrophobicContact CZ-CB 3.54Å; F293-R372 HydrophobicContact CZ-CB 4.25Å; F293-I373 HydrophobicContact CE2-CD1 3.98Å; F293-I373 HydrophobicContact CE2-CG1 3.92Å; F293-L455 HydrophobicContact CD1-CB 4.03Å; F293-L455 HydrophobicContact CD1-CD1 4.4Å; F293-L455 HydrophobicContact CE1-CB 4.27Å; F293-L455 HydrophobicContact CE1-CD1 3.82Å
294	G	94.3	Very high	95.6	Very high	11 Å²	11	33.3 Å²	33.3	11%	0.113	18%	0.182	C	C	.	.			trans	87	175.5	-176.7	0	0	0	0	0	112.8	E290 W346	E290-G294 WeakPolarHBondContact CA-O 3.36Å; E290-G294 CarbonylContact O-C 3.49Å; E290-G294 WeakPolarHBondContact O-CA 3.46Å; E290-G294 PolarHBondContact O-N 3.24Å; G294-W346 VanDerWaalsContact O-CE2 3.29Å; G294-W346 WeakPolarHBondContact O-CZ2 3.27Å; G294-W346 PolarHBondContact O-NE1 2.87Å
295	P	94.9	Very high	95.8	Very high	82 Å²	82	26.8 Å²	26.8	53%	0.532	16%	0.158	S	C	.	.			trans	-60.4	142.6	-164.3	23.9	-35.6	0	0	0	114.8	L297	P295-L297 HydrophobicContact CG-CD2 4.46Å; P295-L297 WeakPolarHBondContact O-CD2 3.45Å; P295-L297 PolarHBondContact O-N 2.85Å
296	Y	95.3	Very high	95.8	Very high	22 Å²	22	26.6 Å²	26.6	9%	0.086	16%	0.157	C	C	.	.			trans	-76.8	105.3	179.1	-177.4	-95.5	0	0	0	110.3	L286 E290 W298 R300 C301 W346	L286-Y296 HydrophobicContact CD2-CD1 4.47Å; L286-Y296 HydrophobicContact CD2-CD2 3.75Å; L286-Y296 HydrophobicContact CD2-CE2 3.8Å; L286-Y296 HydrophobicContact CD2-CG 4.09Å; E290-Y296 VanDerWaalsContact OE1-CB 3.32Å; E290-Y296 WeakPolarHBondContact OE1-CB 3.43Å; E290-Y296 PolarHBondContact OE1-N 3.21Å; Y296-W298 HydrophobicContact CD1-CB 4.37Å; Y296-W298 HydrophobicContact CE1-CB 3.74Å; Y296-W298 AromaticContact CE1-CD1 3.97Å; Y296-W298 HydrophobicContact CE1-CG 4.3Å; Y296-W298 AromaticContact CE2-CD1 3.67Å; Y296-W298 AromaticContact CZ-CD1 3.63Å; Y296-W298 PolarHBondContact O-N 3.48Å; Y296-R300 WeakPolarHBondContact CE1-O 3.26Å; Y296-R300 PolarHBondContact OH-O 3.48Å; Y296-C301 HydrophobicContact CE1-CB 4.15Å; Y296-W346 AromaticContact CD2-CH2 3.59Å; Y296-W346 HydrophobicContact CD2-CH2 3.59Å; Y296-W346 HydrophobicContact CD2-CZ2 4.16Å; Y296-W346 AromaticContact CD2-CZ3 3.85Å; Y296-W346 HydrophobicContact CD2-CZ3 3.85Å; Y296-W346 HydrophobicContact CE2-CZ3 4.46Å; Y296-W346 HydrophobicContact CG-CH2 4.3Å
297	L	92.6	Very high	95.7	Very high	52 Å²	52	26.6 Å²	26.6	27%	0.272	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.1	-164.5	-56.7	179.9	0	0	0	114.1	F239 P295 G299 K460 F461	F239-L297 WeakPolarHBondContact CE2-O 3.49Å; F239-L297 WeakPolarHBondContact CZ-O 3.32Å; P295-L297 HydrophobicContact CG-CD2 4.46Å; P295-L297 WeakPolarHBondContact O-CD2 3.45Å; P295-L297 PolarHBondContact O-N 2.85Å; L297-G299 VanDerWaalsContact C-N 3.26Å; L297-G299 PolarHBondContact O-N 2.99Å; L297-K460 HydrophobicContact CD1-CD 4.42Å; L297-F461 HydrophobicContact CB-CZ 4.24Å; L297-F461 HydrophobicContact CD1-CE1 4.38Å; L297-F461 HydrophobicContact CD1-CE2 3.75Å; L297-F461 HydrophobicContact CD1-CZ 3.47Å; L297-F461 VanDerWaalsContact CD1-CZ 3.47Å; L297-F461 HydrophobicContact CG-CZ 4.48Å
298	W	94.9	Very high	95.5	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.011	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.8	-169	-42.1	98.9	0	0	0	114.3	M237 F239 V241 Y296 R300 P318 G345 N349 A350 F461	M237-W298 HydrophobicContact CE-CE3 3.56Å; M237-W298 HydrophobicContact CE-CZ3 3.59Å; F239-W298 HydrophobicContact CB-CE3 4.1Å; F239-W298 HydrophobicContact CB-CZ3 3.66Å; F239-W298 HydrophobicContact CD2-CE3 4.1Å; F239-W298 HydrophobicContact CG-CE3 4.33Å; F239-W298 HydrophobicContact CG-CZ3 4.31Å; V241-W298 HydrophobicContact CG1-CH2 4.19Å; V241-W298 HydrophobicContact CG1-CZ3 3.83Å; Y296-W298 HydrophobicContact CD1-CB 4.37Å; Y296-W298 HydrophobicContact CE1-CB 3.74Å; Y296-W298 AromaticContact CE1-CD1 3.97Å; Y296-W298 HydrophobicContact CE1-CG 4.3Å; Y296-W298 AromaticContact CE2-CD1 3.67Å; Y296-W298 AromaticContact CZ-CD1 3.63Å; Y296-W298 PolarHBondContact O-N 3.48Å; W298-R300 VanDerWaalsContact C-N 3.29Å; W298-R300 PolarHBondContact O-N 3.11Å; W298-P318 HydrophobicContact CD2-CB 4.2Å; W298-P318 HydrophobicContact CE3-CB 3.9Å; W298-P318 HydrophobicContact CZ3-CB 4.23Å; W298-P318 HydrophobicContact CZ3-CG 4.46Å; W298-G345 PolarHBondContact NE1-O 2.94Å; W298-N349 HydrophobicContact CH2-CB 3.99Å; W298-N349 HydrophobicContact CZ2-CB 3.43Å; W298-N349 VanDerWaalsContact CZ2-CB 3.43Å; W298-A350 HydrophobicContact CZ2-CB 3.98Å; W298-F461 HydrophobicContact CH2-CD1 4.46Å; W298-F461 AromaticContact CH2-CE1 3.82Å; W298-F461 HydrophobicContact CH2-CE1 3.82Å; W298-F461 HydrophobicContact CZ2-CE1 4.4Å; W298-F461 HydrophobicContact CZ3-CE1 4.14Å
299	G	92.5	Very high	95.2	Very high	46 Å²	46	26.1 Å²	26.1	47%	0.474	15%	0.15	S	C	.	.	S	Bend	trans	81.1	-60.7	174.8	0	0	0	0	0	113.9	L297	L297-G299 VanDerWaalsContact C-N 3.26Å; L297-G299 PolarHBondContact O-N 2.99Å
300	R	93.6	Very high	94.9	Very high	87 Å²	87	26.3 Å²	26.3	33%	0.328	15%	0.151	S	C	.	.			trans	-110.6	151.9	174.8	-72.5	-170.7	67.7	104.6	4.4	111.9	D257 R261 Y296 W298 D302 C319	D257-R300 IonicContact OD1-CZ 3.86Å; D257-R300 IonicContact OD1-NH1 2.76Å; D257-R300 IonicContact OD1-NH2 2.8Å; D257-R300 PolarHBondContact OD1-NH2 2.9Å; R261-R300 CarbonylContact O-C 3.58Å; R261-R300 VanDerWaalsContact O-CA 3.27Å; R261-R300 WeakPolarHBondContact O-CA 3.47Å; Y296-R300 WeakPolarHBondContact CE1-O 3.26Å; Y296-R300 PolarHBondContact OH-O 3.48Å; W298-R300 VanDerWaalsContact C-N 3.29Å; W298-R300 PolarHBondContact O-N 3.11Å; R300-D302 IonicContact CZ-OD1 3.71Å; R300-D302 IonicContact CZ-OD2 3.89Å; R300-D302 IonicContact NE-OD1 3.63Å; R300-D302 PolarHBondContact NE-OD1 3.41Å; R300-D302 IonicContact NE-OD2 3.56Å; R300-D302 IonicContact NH2-OD1 3.91Å; R300-D302 PolarHBondContact NH2-OD1 3.47Å; R300-D302 IonicContact NH2-OD2 3.71Å; R300-C319 WeakPolarHBondContact O-CA 3.4Å
301	C	96.3	Very high	94.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	82	169.7	179.2	0	0	0	0	107.7	R261 S262 L286 Y296	R261-C301 PolarHBondContact O-N 3.03Å; S262-C301 WeakPolarHBondContact CA-O 3.49Å; S262-C301 WeakPolarHBondContact CB-O 3.41Å; L286-C301 HydrophobicContact CD1-CB 3.74Å; L286-C301 HydrophobicContact CD2-CB 4.2Å; Y296-C301 HydrophobicContact CE1-CB 4.15Å
302	D	97.8	Very high	93.9	Very high	13 Å²	13	20.4 Å²	20.4	7%	0.07	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	148.2	172.6	-71.7	17.4	0	0	0	109.5	R263 W265 R300 C319 L320 T321	R263-D302 HydrophobicContact CB-CB 4.49Å; R263-D302 WeakPolarHBondContact CD-OD2 3.29Å; R263-D302 CarbonylContact O-C 3.49Å; R263-D302 VanDerWaalsContact O-CA 3.3Å; R263-D302 WeakPolarHBondContact O-CA 3.4Å; W265-D302 PolarHBondContact NE1-OD2 3.42Å; R300-D302 IonicContact CZ-OD1 3.71Å; R300-D302 IonicContact CZ-OD2 3.89Å; R300-D302 IonicContact NE-OD1 3.63Å; R300-D302 PolarHBondContact NE-OD1 3.41Å; R300-D302 IonicContact NE-OD2 3.56Å; R300-D302 IonicContact NH2-OD1 3.91Å; R300-D302 PolarHBondContact NH2-OD1 3.47Å; R300-D302 IonicContact NH2-OD2 3.71Å; D302-C319 WeakPolarHBondContact CB-O 3.46Å; D302-C319 PolarHBondContact N-O 3.32Å; D302-L320 HydrophobicContact CB-CD1 3.94Å; D302-L320 CarbonylContact O-C 3.6Å; D302-L320 VanDerWaalsContact O-CA 3.26Å; D302-L320 WeakPolarHBondContact O-CA 3.08Å; D302-T321 PolarHBondContact O-N 3.39Å
303	I	98.3	Very high	93.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.1	179.8	-64.7	165.5	0	0	0	107.9	R263 V264 W265 L278 V282 F305 T321 I323 V338	R263-I303 PolarHBondContact O-N 3.07Å; V264-I303 CarbonylContact C-O 3.19Å; V264-I303 WeakPolarHBondContact CA-O 3.46Å; W265-I303 PolarHBondContact N-O 2.8Å; L278-I303 HydrophobicContact CD1-CD1 3.91Å; L278-I303 HydrophobicContact CD1-CG2 4.38Å; V282-I303 HydrophobicContact CG1-CD1 4.49Å; V282-I303 HydrophobicContact CG2-CD1 3.85Å; I303-F305 HydrophobicContact CG2-CD2 4.47Å; I303-F305 HydrophobicContact CG2-CE2 3.91Å; I303-F305 HydrophobicContact CG2-CZ 4.17Å; I303-T321 CarbonylContact C-O 3.6Å; I303-T321 WeakPolarHBondContact CA-O 3.37Å; I303-I323 HydrophobicContact CG2-CD1 3.63Å; I303-I323 HydrophobicContact CG2-CG1 4.05Å; I303-V338 HydrophobicContact CD1-CG1 3.73Å; I303-V338 HydrophobicContact CD1-CG2 4.31Å
304	V	98.4	Very high	93.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.6	175.5	61.5	0	0	0	0	112.2	L218 V249 L253 W265 L306 L320 T321 F322 I323	L218-V304 HydrophobicContact CD1-CG2 4.37Å; V249-V304 HydrophobicContact CG1-CG1 4.3Å; V249-V304 HydrophobicContact CG1-CG2 4.3Å; L253-V304 HydrophobicContact CD1-CG2 4.04Å; L253-V304 HydrophobicContact CD2-CG2 4.38Å; W265-V304 HydrophobicContact CB-CB 3.95Å; W265-V304 HydrophobicContact CB-CG2 3.87Å; W265-V304 WeakPolarHBondContact O-CA 3.31Å; V304-L306 HydrophobicContact CG2-CD2 4.21Å; V304-L320 HydrophobicContact CB-CD1 4.4Å; V304-L320 HydrophobicContact CG1-CD1 4.26Å; V304-L320 HydrophobicContact CG1-CG 4.26Å; V304-T321 PolarHBondContact N-O 2.85Å; V304-F322 HydrophobicContact CG1-CB 4.48Å; V304-F322 HydrophobicContact CG1-CD1 3.22Å; V304-F322 HydrophobicContact CG1-CE1 3.57Å; V304-F322 HydrophobicContact CG1-CG 4.01Å; V304-I323 PolarHBondContact O-N 3.26Å
305	F	97.9	Very high	93.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.7	174.9	-72	-81.4	0	0	0	111.2	V264 W265 A266 A274 L278 I303 I323 A325 I327 L328 L334	V264-F305 HydrophobicContact CG1-CD2 3.98Å; V264-F305 HydrophobicContact CG1-CE2 4.06Å; W265-F305 PolarHBondContact O-N 2.84Å; A266-F305 HydrophobicContact CB-CB 4.35Å; A274-F305 HydrophobicContact CB-CD2 3.74Å; A274-F305 HydrophobicContact CB-CE2 3.57Å; A274-F305 HydrophobicContact CB-CZ 4.33Å; L278-F305 HydrophobicContact CD1-CE2 3.88Å; L278-F305 HydrophobicContact CD1-CZ 3.86Å; I303-F305 HydrophobicContact CG2-CD2 4.47Å; I303-F305 HydrophobicContact CG2-CE2 3.91Å; I303-F305 HydrophobicContact CG2-CZ 4.17Å; F305-I323 CarbonylContact C-O 3.6Å; F305-I323 WeakPolarHBondContact CA-O 3.47Å; F305-I323 HydrophobicContact CD1-CB 4.13Å; F305-I323 HydrophobicContact CD1-CG2 4.16Å; F305-I323 HydrophobicContact CE1-CB 3.99Å; F305-I323 HydrophobicContact CE1-CG2 3.77Å; F305-A325 HydrophobicContact CB-CB 4.49Å; F305-I327 HydrophobicContact CE1-CG2 4.17Å; F305-L328 HydrophobicContact CD1-CD1 3.92Å; F305-L328 HydrophobicContact CD1-CD2 4.12Å; F305-L328 HydrophobicContact CD1-CG 3.88Å; F305-L328 HydrophobicContact CE1-CD1 4.27Å; F305-L328 HydrophobicContact CE1-CD2 3.61Å; F305-L328 HydrophobicContact CE1-CG 3.79Å; F305-L328 HydrophobicContact CE2-CD2 4.22Å; F305-L328 HydrophobicContact CG-CD1 4.08Å; F305-L328 HydrophobicContact CG-CG 4.49Å; F305-L328 HydrophobicContact CZ-CD2 3.66Å; F305-L328 HydrophobicContact CZ-CG 4.34Å; F305-L334 HydrophobicContact CE1-CD1 3.92Å; F305-L334 HydrophobicContact CZ-CD1 3.83Å
306	L	96.8	Very high	93.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	154.3	-179.2	-62.8	-175.8	0	0	0	112.1	F181 V249 V304 F310 F322 I323 A325	F181-L306 HydrophobicContact CB-CD1 4Å; F181-L306 HydrophobicContact CB-CD2 4.21Å; F181-L306 HydrophobicContact CD1-CD1 4.37Å; F181-L306 HydrophobicContact CD2-CD1 4.11Å; F181-L306 HydrophobicContact CG-CD1 3.9Å; V249-L306 HydrophobicContact CB-CD2 4.32Å; V249-L306 HydrophobicContact CG2-CD2 3.67Å; V304-L306 HydrophobicContact CG2-CD2 4.21Å; L306-F310 HydrophobicContact CB-CB 4.14Å; L306-F310 HydrophobicContact CB-CD2 4.43Å; L306-F310 HydrophobicContact CB-CG 4.24Å; L306-F310 HydrophobicContact CD1-CD2 3.41Å; L306-F310 VanDerWaalsContact CD1-CD2 3.41Å; L306-F310 HydrophobicContact CD1-CE2 3.61Å; L306-F310 HydrophobicContact CD1-CG 3.96Å; L306-F310 HydrophobicContact CD1-CZ 4.26Å; L306-F322 HydrophobicContact CD1-CB 3.97Å; L306-F322 HydrophobicContact CD1-CD2 3.44Å; L306-F322 VanDerWaalsContact CD1-CD2 3.44Å; L306-F322 HydrophobicContact CD1-CE2 4.05Å; L306-F322 HydrophobicContact CD1-CG 3.86Å; L306-I323 PolarHBondContact N-O 3.49Å; L306-A325 WeakPolarHBondContact O-CB 3.33Å; L306-A325 PolarHBondContact O-N 3.28Å
307	P	94.9	Very high	93.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-58.6	159.9	-179.8	-27.8	38.2	0	0	0	114.2	L167 T172 L179 E267 S309 F310	L167-P307 HydrophobicContact CD1-CB 3.8Å; L167-P307 HydrophobicContact CD1-CG 3.59Å; T172-P307 HydrophobicContact CG2-CG 4.44Å; L179-P307 HydrophobicContact CD1-CG 4.48Å; E267-P307 WeakPolarHBondContact OE1-CG 3.37Å; P307-S309 PolarHBondContact O-N 3.24Å; P307-F310 PolarHBondContact O-N 3.15Å
308	P	91	Very high	94	Very high	26 Å²	26	13.9 Å²	13.9	17%	0.169	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-7.6	-178.1	-26.2	35.1	0	0	0	116.2	F310 S615	P308-F310 VanDerWaalsContact C-N 3.31Å; P308-S615 VanDerWaalsContact O-CA 3.24Å; P308-S615 WeakPolarHBondContact O-CA 3.14Å; P308-S615 WeakPolarHBondContact O-CB 3.22Å
309	S	89.9	Confident	94.1	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.112	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6	170.5	54.4	0	0	0	0	114.7	L167 P307	L167-S309 WeakPolarHBondContact CD1-OG 3.34Å; L167-S309 VanDerWaalsContact CD2-OG 3.26Å; L167-S309 WeakPolarHBondContact CD2-OG 3.35Å; P307-S309 PolarHBondContact O-N 3.24Å
310	F	92.1	Very high	94.4	Very high	3 Å²	3	12.2 Å²	12.2	1%	0.013	7%	0.065	C	C	.	.			trans	-57.6	129.8	170.6	-168.7	-125.9	0	0	0	109.2	F181 L306 P307 P308 I312 M315 F322 I324	F181-F310 AromaticContact CD2-CD2 3.89Å; F181-F310 HydrophobicContact CD2-CD2 3.89Å; F181-F310 HydrophobicContact CD2-CE2 4.2Å; F181-F310 AromaticContact CE2-CD2 3.53Å; F181-F310 HydrophobicContact CE2-CD2 3.53Å; F181-F310 HydrophobicContact CE2-CE2 4.11Å; F181-F310 HydrophobicContact CZ-CB 4.45Å; F181-F310 AromaticContact CZ-CD2 3.97Å; F181-F310 HydrophobicContact CZ-CD2 3.97Å; L306-F310 HydrophobicContact CB-CB 4.14Å; L306-F310 HydrophobicContact CB-CD2 4.43Å; L306-F310 HydrophobicContact CB-CG 4.24Å; L306-F310 HydrophobicContact CD1-CD2 3.41Å; L306-F310 VanDerWaalsContact CD1-CD2 3.41Å; L306-F310 HydrophobicContact CD1-CE2 3.61Å; L306-F310 HydrophobicContact CD1-CG 3.96Å; L306-F310 HydrophobicContact CD1-CZ 4.26Å; P307-F310 PolarHBondContact O-N 3.15Å; P308-F310 VanDerWaalsContact C-N 3.31Å; F310-I312 VanDerWaalsContact C-N 3.33Å; F310-I312 HydrophobicContact CD1-CG1 4.27Å; F310-I312 WeakPolarHBondContact CD1-O 3.14Å; F310-I312 HydrophobicContact CE1-CD1 4.45Å; F310-I312 HydrophobicContact CE1-CG1 3.62Å; F310-I312 HydrophobicContact CE2-CG1 4.5Å; F310-I312 HydrophobicContact CZ-CD1 4.2Å; F310-I312 HydrophobicContact CZ-CG1 3.74Å; F310-I312 PolarHBondContact O-N 3.32Å; F310-M315 HydrophobicContact CZ-CB 4.08Å; F310-F322 HydrophobicContact CE1-CB 4.35Å; F310-F322 HydrophobicContact CE2-CB 4.4Å; F310-F322 HydrophobicContact CE2-CD2 4.14Å; F310-F322 HydrophobicContact CZ-CB 3.87Å; F310-F322 HydrophobicContact CZ-CD2 4.36Å; F310-I324 HydrophobicContact CB-CB 4.42Å; F310-I324 HydrophobicContact CB-CG1 4.19Å; F310-I324 HydrophobicContact CD1-CB 4.15Å
311	P	84.1	Confident	94.6	Very high	30 Å²	30	8.4 Å²	8.4	20%	0.195	5%	0.052	C	C	.	.	S	Bend	trans	-78.7	-11.8	-165.6	29.4	-36.1	0	0	0	115.1	W165 Q183 N710	W165-P311 HydrophobicContact CH2-CB 3.89Å; W165-P311 HydrophobicContact CH2-CG 4.28Å; W165-P311 HydrophobicContact CZ2-CB 3.95Å; W165-P311 HydrophobicContact CZ2-CG 3.93Å; Q183-P311 HydrophobicContact CG-CG 4.3Å; P311-N710 PolarHBondContact O-ND2 3.34Å
312	I	86.3	Confident	94.7	Very high	22 Å²	22	8.4 Å²	8.4	11%	0.113	5%	0.052	C	C	.	.	S	Bend	trans	-134	177.1	-178	58.2	-178.1	0	0	0	109.6	Q183 F310 A314 M315 M426	Q183-I312 HydrophobicContact CG-CD1 4.37Å; Q183-I312 VanDerWaalsContact NE2-CD1 3.3Å; F310-I312 VanDerWaalsContact C-N 3.33Å; F310-I312 HydrophobicContact CD1-CG1 4.27Å; F310-I312 WeakPolarHBondContact CD1-O 3.14Å; F310-I312 HydrophobicContact CE1-CD1 4.45Å; F310-I312 HydrophobicContact CE1-CG1 3.62Å; F310-I312 HydrophobicContact CE2-CG1 4.5Å; F310-I312 HydrophobicContact CZ-CD1 4.2Å; F310-I312 HydrophobicContact CZ-CG1 3.74Å; F310-I312 PolarHBondContact O-N 3.32Å; I312-A314 WeakPolarHBondContact CD1-O 3.23Å; I312-A314 WeakPolarHBondContact CG1-O 3.44Å; I312-M315 HydrophobicContact CD1-CB 4.21Å; I312-M315 HydrophobicContact CD1-SD 4.46Å; I312-M426 HydrophobicContact CG2-CE 4.36Å
313	V	88.4	Confident	94.6	Very high	16 Å²	16	7.8 Å²	7.8	10%	0.097	5%	0.048	C	C	.	.	S	Bend	trans	-78	-50.7	-178	-179.1	0	0	0	0	111.6	I324 I327 M617 N710	V313-I324 HydrophobicContact CG1-CG2 4.31Å; V313-I324 WeakPolarHBondContact O-CG2 3.48Å; V313-I324 PolarHBondContact O-N 3.37Å; V313-I327 HydrophobicContact CG1-CD1 3.95Å; V313-M617 HydrophobicContact CG2-CE 4.28Å; V313-N710 WeakPolarHBondContact CG2-O 3.24Å
314	A	93.1	Very high	94.5	Very high	12 Å²	12	8 Å²	8	10%	0.099	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	178.2	179.6	0	0	0	0	0	111.8	I312 F322 I323 D337 E341	I312-A314 WeakPolarHBondContact CD1-O 3.23Å; I312-A314 WeakPolarHBondContact CG1-O 3.44Å; A314-F322 CarbonylContact C-O 3.53Å; A314-F322 WeakPolarHBondContact CA-O 3.32Å; A314-I323 HydrophobicContact CB-CG1 4.08Å; A314-D337 HydrophobicContact CB-CB 4.45Å; A314-E341 HydrophobicContact CB-CG 3.79Å; A314-E341 WeakPolarHBondContact CB-OE1 3.46Å
315	M	96.3	Very high	94.3	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.02	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	133.4	-179.1	178.2	68.8	-150.2	0	0	111.7	Q183 H185 Y244 L245 F310 I312 N317 F322 E341	Q183-M315 PolarHBondContact NE2-SD 2.9Å; H185-M315 HydrophobicContact CB-CE 3.69Å; H185-M315 HydrophobicContact CB-SD 3.6Å; H185-M315 VanDerWaalsContact CB-SD 3.6Å; Y244-M315 HydrophobicContact CD2-CE 3.81Å; Y244-M315 HydrophobicContact CE2-CE 3.82Å; L245-M315 HydrophobicContact CD2-CE 3.72Å; F310-M315 HydrophobicContact CZ-CB 4.08Å; I312-M315 HydrophobicContact CD1-CB 4.21Å; I312-M315 HydrophobicContact CD1-SD 4.46Å; M315-N317 VanDerWaalsContact CG-ND2 3.28Å; M315-N317 WeakPolarHBondContact CG-ND2 3.45Å; M315-N317 PolarHBondContact O-N 2.9Å; M315-F322 HydrophobicContact CB-CB 4.27Å; M315-F322 PolarHBondContact N-O 3.14Å; M315-F322 PolarHBondContact O-N 2.88Å; M315-F322 VanDerWaalsContact O-N 3.11Å; M315-E341 PolarHBondContact N-OE1 2.95Å
316	E	96.7	Very high	93.9	Very high	9 Å²	9	9 Å²	9	4%	0.042	6%	0.057	C	C	.	.			trans	-82.6	11.6	-159.6	82	-83.9	-160.5	0	0	116.5	Y244 L245 P318 E341 H344 N349	Y244-E316 WeakPolarHBondContact CE2-OE1 3.37Å; Y244-E316 PolarHBondContact OH-OE1 3.47Å; L245-E316 HydrophobicContact CD2-CG 3.76Å; L245-E316 WeakPolarHBondContact CD2-OE1 3.38Å; E316-P318 WeakPolarHBondContact O-CD 3.29Å; E316-P318 VanDerWaalsContact O-N 3.08Å; E316-E341 WeakPolarHBondContact CA-OE2 3.33Å; E316-E341 PolarHBondContact N-OE2 3.39Å; E316-H344 HydrophobicContact CB-CB 3.39Å; E316-H344 HydrophobicContact CG-CB 3.75Å; E316-N349 VanDerWaalsContact CG-OD1 3.27Å; E316-N349 WeakPolarHBondContact CG-OD1 3.42Å; E316-N349 PolarHBondContact O-ND2 3.17Å
317	N	98.1	Very high	93.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.059	C	C	.	.			trans	-30.5	106.6	178.3	-70.8	-36	0	0	0	113	A247 M315 C319 L320 T321 F322	A247-N317 HydrophobicContact CB-CB 4.09Å; A247-N317 VanDerWaalsContact CB-CG 3.41Å; A247-N317 WeakPolarHBondContact CB-ND2 3.46Å; A247-N317 WeakPolarHBondContact CB-OD1 3.39Å; M315-N317 VanDerWaalsContact CG-ND2 3.28Å; M315-N317 WeakPolarHBondContact CG-ND2 3.45Å; M315-N317 PolarHBondContact O-N 2.9Å; N317-C319 PolarHBondContact O-N 3.11Å; N317-L320 VanDerWaalsContact CB-O 3.24Å; N317-L320 WeakPolarHBondContact CB-O 3.38Å; N317-L320 CarbonylContact O-C 3.59Å; N317-L320 WeakPolarHBondContact O-CA 3.28Å; N317-L320 PolarHBondContact O-N 3.37Å; N317-T321 PolarHBondContact O-N 3.38Å; N317-F322 HydrophobicContact CB-CD1 4.49Å; N317-F322 WeakPolarHBondContact ND2-CD2 3.39Å; N317-F322 WeakPolarHBondContact ND2-CG 3.49Å
318	P	96.6	Very high	93.5	Very high	3 Å²	3	10 Å²	10	2%	0.019	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	138.4	-170.1	-32.7	37.1	0	0	0	113.9	S220 M237 V241 L245 W298 E316 L320 N349	S220-P318 CarbonylContact C-O 3.48Å; S220-P318 WeakPolarHBondContact CA-O 3.32Å; S220-P318 VanDerWaalsContact CB-O 3.23Å; S220-P318 WeakPolarHBondContact CB-O 3.44Å; M237-P318 HydrophobicContact CE-CB 3.54Å; M237-P318 HydrophobicContact CE-CG 4.28Å; V241-P318 HydrophobicContact CG1-CG 4.09Å; L245-P318 HydrophobicContact CB-CG 4.36Å; L245-P318 HydrophobicContact CD1-CG 3.88Å; W298-P318 HydrophobicContact CD2-CB 4.2Å; W298-P318 HydrophobicContact CE3-CB 3.9Å; W298-P318 HydrophobicContact CZ3-CB 4.23Å; W298-P318 HydrophobicContact CZ3-CG 4.46Å; E316-P318 WeakPolarHBondContact O-CD 3.29Å; E316-P318 VanDerWaalsContact O-N 3.08Å; P318-L320 PolarHBondContact O-N 3.44Å; P318-L320 VanDerWaalsContact O-N 3.12Å; P318-N349 HydrophobicContact CG-CB 4.29Å
319	C	97.5	Very high	93.4	Very high	8 Å²	8	12.2 Å²	12.2	5%	0.054	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-13.9	-173	-35	0	0	0	0	115.8	R300 D302 N317	R300-C319 WeakPolarHBondContact O-CA 3.4Å; D302-C319 WeakPolarHBondContact CB-O 3.46Å; D302-C319 PolarHBondContact N-O 3.32Å; N317-C319 PolarHBondContact O-N 3.11Å
320	L	97.9	Very high	93.3	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.031	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	71.9	-168.6	-173.8	70.8	0	0	0	111.7	L218 D302 V304 N317 P318 F322	L218-L320 HydrophobicContact CB-CD1 4.28Å; L218-L320 HydrophobicContact CB-CD2 3.46Å; L218-L320 VanDerWaalsContact CB-CD2 3.46Å; L218-L320 HydrophobicContact CD1-CD1 4.1Å; D302-L320 HydrophobicContact CB-CD1 3.94Å; D302-L320 CarbonylContact O-C 3.6Å; D302-L320 VanDerWaalsContact O-CA 3.26Å; D302-L320 WeakPolarHBondContact O-CA 3.08Å; V304-L320 HydrophobicContact CB-CD1 4.4Å; V304-L320 HydrophobicContact CG1-CD1 4.26Å; V304-L320 HydrophobicContact CG1-CG 4.26Å; N317-L320 VanDerWaalsContact CB-O 3.24Å; N317-L320 WeakPolarHBondContact CB-O 3.38Å; N317-L320 CarbonylContact O-C 3.59Å; N317-L320 WeakPolarHBondContact O-CA 3.28Å; N317-L320 PolarHBondContact O-N 3.37Å; P318-L320 PolarHBondContact O-N 3.44Å; P318-L320 VanDerWaalsContact O-N 3.12Å; L320-F322 HydrophobicContact CD2-CE1 3.82Å; L320-F322 HydrophobicContact CG-CD1 4.41Å; L320-F322 HydrophobicContact CG-CE1 3.99Å; L320-F322 VanDerWaalsContact O-CD1 3.27Å; L320-F322 WeakPolarHBondContact O-CD1 3.35Å; L320-F322 PolarHBondContact O-N 3.16Å
321	T	98.1	Very high	93.1	Very high	7 Å²	7	15 Å²	15	4%	0.043	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	132.8	176.7	-61.4	0	0	0	0	111.2	D302 I303 V304 N317 I323 E341	D302-T321 PolarHBondContact O-N 3.39Å; I303-T321 CarbonylContact C-O 3.6Å; I303-T321 WeakPolarHBondContact CA-O 3.37Å; V304-T321 PolarHBondContact N-O 2.85Å; N317-T321 PolarHBondContact O-N 3.38Å; T321-I323 HydrophobicContact CG2-CD1 4.06Å; T321-I323 HydrophobicContact CG2-CG1 3.83Å; T321-E341 HydrophobicContact CG2-CB 3.53Å; T321-E341 HydrophobicContact CG2-CG 3.5Å; T321-E341 VanDerWaalsContact CG2-CG 3.5Å
322	F	98.4	Very high	93.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.8	174.6	-72.6	12.7	0	0	0	109.6	F181 T182 A247 V249 V304 L306 F310 A314 M315 N317 L320	F181-F322 HydrophobicContact CB-CE2 4.42Å; T182-F322 WeakPolarHBondContact O-CE2 3.45Å; A247-F322 HydrophobicContact CB-CE1 4.31Å; A247-F322 HydrophobicContact CB-CE2 4.11Å; A247-F322 HydrophobicContact CB-CZ 3.8Å; V249-F322 HydrophobicContact CB-CZ 3.98Å; V249-F322 HydrophobicContact CG1-CE1 4.15Å; V249-F322 HydrophobicContact CG1-CZ 4.01Å; V304-F322 HydrophobicContact CG1-CB 4.48Å; V304-F322 HydrophobicContact CG1-CD1 3.22Å; V304-F322 HydrophobicContact CG1-CE1 3.57Å; V304-F322 HydrophobicContact CG1-CG 4.01Å; L306-F322 HydrophobicContact CD1-CB 3.97Å; L306-F322 HydrophobicContact CD1-CD2 3.44Å; L306-F322 VanDerWaalsContact CD1-CD2 3.44Å; L306-F322 HydrophobicContact CD1-CE2 4.05Å; L306-F322 HydrophobicContact CD1-CG 3.86Å; F310-F322 HydrophobicContact CE1-CB 4.35Å; F310-F322 HydrophobicContact CE2-CB 4.4Å; F310-F322 HydrophobicContact CE2-CD2 4.14Å; F310-F322 HydrophobicContact CZ-CB 3.87Å; F310-F322 HydrophobicContact CZ-CD2 4.36Å; A314-F322 CarbonylContact C-O 3.53Å; A314-F322 WeakPolarHBondContact CA-O 3.32Å; M315-F322 HydrophobicContact CB-CB 4.27Å; M315-F322 PolarHBondContact N-O 3.14Å; M315-F322 PolarHBondContact O-N 2.88Å; M315-F322 VanDerWaalsContact O-N 3.11Å; N317-F322 HydrophobicContact CB-CD1 4.49Å; N317-F322 WeakPolarHBondContact ND2-CD2 3.39Å; N317-F322 WeakPolarHBondContact ND2-CG 3.49Å; L320-F322 HydrophobicContact CD2-CE1 3.82Å; L320-F322 HydrophobicContact CG-CD1 4.41Å; L320-F322 HydrophobicContact CG-CE1 3.99Å; L320-F322 VanDerWaalsContact O-CD1 3.27Å; L320-F322 WeakPolarHBondContact O-CD1 3.35Å; L320-F322 PolarHBondContact O-N 3.16Å
323	I	96.9	Very high	93.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.4	179.4	-54.3	-172.7	0	0	0	110.9	I303 V304 F305 L306 A314 T321 A325 I327 V338	I303-I323 HydrophobicContact CG2-CD1 3.63Å; I303-I323 HydrophobicContact CG2-CG1 4.05Å; V304-I323 PolarHBondContact O-N 3.26Å; F305-I323 CarbonylContact C-O 3.6Å; F305-I323 WeakPolarHBondContact CA-O 3.47Å; F305-I323 HydrophobicContact CD1-CB 4.13Å; F305-I323 HydrophobicContact CD1-CG2 4.16Å; F305-I323 HydrophobicContact CE1-CB 3.99Å; F305-I323 HydrophobicContact CE1-CG2 3.77Å; L306-I323 PolarHBondContact N-O 3.49Å; A314-I323 HydrophobicContact CB-CG1 4.08Å; T321-I323 HydrophobicContact CG2-CD1 4.06Å; T321-I323 HydrophobicContact CG2-CG1 3.83Å; I323-A325 PolarHBondContact O-N 3.19Å; I323-I327 HydrophobicContact CG2-CG2 3.66Å; I323-V338 HydrophobicContact CD1-CG2 3.4Å
324	I	94.8	Very high	93.4	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.031	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127	175.9	-163.2	171.2	0	0	0	112	F310 V313 S326 I327	F310-I324 HydrophobicContact CB-CB 4.42Å; F310-I324 HydrophobicContact CB-CG1 4.19Å; F310-I324 HydrophobicContact CD1-CB 4.15Å; V313-I324 HydrophobicContact CG1-CG2 4.31Å; V313-I324 WeakPolarHBondContact O-CG2 3.48Å; V313-I324 PolarHBondContact O-N 3.37Å; I324-S326 PolarHBondContact O-N 3.31Å; I324-S326 VanDerWaalsContact O-N 3.1Å; I324-I327 HydrophobicContact CG2-CB 4.3Å; I324-I327 WeakPolarHBondContact O-CG2 3.41Å; I324-I327 PolarHBondContact O-N 2.9Å; I324-I327 VanDerWaalsContact O-N 3.16Å
325	A	94.3	Very high	93.3	Very high	8 Å²	8	13.9 Å²	13.9	7%	0.066	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.2	-177.3	0	0	0	0	0	114.5	L270 F305 L306 I323 I327 L328	L270-A325 HydrophobicContact CD1-CB 3.51Å; F305-A325 HydrophobicContact CB-CB 4.49Å; L306-A325 WeakPolarHBondContact O-CB 3.33Å; L306-A325 PolarHBondContact O-N 3.28Å; I323-A325 PolarHBondContact O-N 3.19Å; A325-I327 PolarHBondContact O-N 2.98Å; A325-L328 WeakPolarHBondContact O-CB 3.34Å; A325-L328 WeakPolarHBondContact O-CG 3.3Å; A325-L328 PolarHBondContact O-N 2.69Å
326	S	89.9	Confident	93	Very high	12 Å²	12	13.8 Å²	13.8	8%	0.084	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-66.1	-22.7	179.6	52.9	0	0	0	0	113.5	I324 L328 E329	I324-S326 PolarHBondContact O-N 3.31Å; I324-S326 VanDerWaalsContact O-N 3.1Å; S326-L328 PolarHBondContact O-N 3.29Å; S326-E329 PolarHBondContact O-N 3.38Å
327	I	90.9	Very high	92.7	Very high	10 Å²	10	13.4 Å²	13.4	5%	0.051	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-66.1	-21.2	177	-155.2	172.6	0	0	0	112.6	F305 V313 I323 I324 A325 E329 S330 F333 L334 D337	F305-I327 HydrophobicContact CE1-CG2 4.17Å; V313-I327 HydrophobicContact CG1-CD1 3.95Å; I323-I327 HydrophobicContact CG2-CG2 3.66Å; I324-I327 HydrophobicContact CG2-CB 4.3Å; I324-I327 WeakPolarHBondContact O-CG2 3.41Å; I324-I327 PolarHBondContact O-N 2.9Å; I324-I327 VanDerWaalsContact O-N 3.16Å; A325-I327 PolarHBondContact O-N 2.98Å; I327-E329 PolarHBondContact O-N 2.86Å; I327-S330 PolarHBondContact O-N 2.93Å; I327-F333 HydrophobicContact CD1-CB 3.96Å; I327-F333 HydrophobicContact CG1-CB 4.05Å; I327-L334 HydrophobicContact CD1-CB 4.37Å; I327-L334 HydrophobicContact CG1-CB 4.26Å; I327-L334 HydrophobicContact CG2-CB 4.35Å; I327-L334 HydrophobicContact CG2-CD1 3.84Å; I327-D337 HydrophobicContact CD1-CB 4.39Å; I327-D337 WeakPolarHBondContact CD1-OD2 3.21Å
328	L	91.9	Very high	92.6	Very high	11 Å²	11	13.4 Å²	13.4	6%	0.058	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-59.8	-9.9	177.1	-69.2	171.4	0	0	0	113.4	L270 A274 K277 F305 A325 S326 L334	L270-L328 HydrophobicContact CB-CD1 4.24Å; L270-L328 HydrophobicContact CD1-CD1 4.36Å; L270-L328 HydrophobicContact CD2-CD1 4.16Å; L270-L328 HydrophobicContact CG-CD1 4.5Å; A274-L328 HydrophobicContact CB-CD1 4.26Å; A274-L328 HydrophobicContact CB-CD2 3.87Å; K277-L328 WeakPolarHBondContact CE-O 3.11Å; K277-L328 PolarHBondContact NZ-O 3.47Å; F305-L328 HydrophobicContact CD1-CD1 3.92Å; F305-L328 HydrophobicContact CD1-CD2 4.12Å; F305-L328 HydrophobicContact CD1-CG 3.88Å; F305-L328 HydrophobicContact CE1-CD1 4.27Å; F305-L328 HydrophobicContact CE1-CD2 3.61Å; F305-L328 HydrophobicContact CE1-CG 3.79Å; F305-L328 HydrophobicContact CE2-CD2 4.22Å; F305-L328 HydrophobicContact CG-CD1 4.08Å; F305-L328 HydrophobicContact CG-CG 4.49Å; F305-L328 HydrophobicContact CZ-CD2 3.66Å; F305-L328 HydrophobicContact CZ-CG 4.34Å; A325-L328 WeakPolarHBondContact O-CB 3.34Å; A325-L328 WeakPolarHBondContact O-CG 3.3Å; A325-L328 PolarHBondContact O-N 2.69Å; S326-L328 PolarHBondContact O-N 3.29Å; L328-L334 HydrophobicContact CD2-CD2 4.08Å
329	E	88.9	Confident	92.5	Very high	73 Å²	73	13.3 Å²	13.3	34%	0.341	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	-69.3	-48.6	167.3	-62.1	-165.9	172.5	0	0	111.6	K277 S326 I327 N583 A584 K612 H613	K277-E329 PolarHBondContact NZ-O 3.45Å; S326-E329 PolarHBondContact O-N 3.38Å; I327-E329 PolarHBondContact O-N 2.86Å; E329-N583 HydrophobicContact CB-CB 3.81Å; E329-A584 PolarHBondContact OE2-N 2.72Å; E329-K612 VanDerWaalsContact CD-NZ 3.32Å; E329-K612 WeakPolarHBondContact OE1-CE 3.44Å; E329-K612 IonicContact OE1-NZ 3.42Å; E329-K612 PolarHBondContact OE1-NZ 3.06Å; E329-K612 IonicContact OE2-NZ 2.7Å; E329-K612 PolarHBondContact OE2-NZ 3.16Å; E329-H613 IonicContact OE1-CE1 3.42Å; E329-H613 PolarHBondContact OE1-CE1 3.49Å; E329-H613 IonicContact OE2-CE1 3.96Å
330	S	88.4	Confident	92.5	Very high	6 Å²	6	13 Å²	13	4%	0.042	7%	0.074	C	C	.	.			trans	-86.1	148.9	175.2	-169.1	0	0	0	0	112.5	K277 I327 E332	K277-S330 PolarHBondContact NZ-O 3.44Å; I327-S330 PolarHBondContact O-N 2.93Å; S330-E332 PolarHBondContact OG-N 2.78Å
331	S	87.8	Confident	92.4	Very high	73 Å²	73	13.3 Å²	13.3	51%	0.51	8%	0.075	S	C	.	.	S	Bend	trans	-104.4	-14.8	171.5	-57.6	0	0	0	0	112.4	K277 L335	K277-S331 WeakPolarHBondContact CE-OG 3.4Å; K277-S331 PolarHBondContact NZ-OG 2.85Å; S331-L335 WeakPolarHBondContact O-CB 3.42Å
332	E	85.8	Confident	92.4	Very high	28 Å²	28	13 Å²	13	13%	0.131	7%	0.073	C	C	.	.	H	α-helix	trans	-87.4	-48.8	-178.1	-63	-179	178.2	0	0	110.5	S330 L335 I336 T547 F548	S330-E332 PolarHBondContact OG-N 2.78Å; E332-L335 PolarHBondContact O-N 3.49Å; E332-I336 PolarHBondContact O-N 3.23Å; E332-T547 WeakPolarHBondContact OE2-CA 3.4Å; E332-T547 WeakPolarHBondContact OE2-CB 2.79Å; E332-T547 PolarHBondContact OE2-N 3.45Å; E332-T547 PolarHBondContact OE2-OG1 3.44Å; E332-F548 HydrophobicContact CB-CD2 4.17Å; E332-F548 HydrophobicContact CB-CE2 3.61Å; E332-F548 HydrophobicContact CB-CZ 4.36Å; E332-F548 WeakPolarHBondContact OE2-CD2 3.45Å
333	F	87.1	Confident	92.3	Very high	12 Å²	12	13 Å²	13	5%	0.053	7%	0.073	C	C	.	.	H	α-helix	trans	-60	-49.9	171.3	-73.8	-89.2	0	0	0	111.8	I327 L335 I336 D337 Y394 T547 F548 E585	I327-F333 HydrophobicContact CD1-CB 3.96Å; I327-F333 HydrophobicContact CG1-CB 4.05Å; F333-L335 PolarHBondContact O-N 2.96Å; F333-L335 VanDerWaalsContact O-N 3.08Å; F333-I336 WeakPolarHBondContact O-CA 3.3Å; F333-I336 WeakPolarHBondContact O-CB 3.04Å; F333-I336 PolarHBondContact O-N 3Å; F333-D337 PolarHBondContact O-N 3.13Å; F333-D337 VanDerWaalsContact O-OD2 3.09Å; F333-Y394 HydrophobicContact CD1-CE2 4.48Å; F333-Y394 HydrophobicContact CE1-CE2 4.12Å; F333-T547 HydrophobicContact CD2-CG2 4.33Å; F333-T547 HydrophobicContact CE2-CG2 3.86Å; F333-F548 AromaticContact CD1-CE1 3.88Å; F333-F548 HydrophobicContact CD1-CE1 3.88Å; F333-F548 AromaticContact CD1-CZ 3.97Å; F333-F548 HydrophobicContact CD1-CZ 3.97Å; F333-F548 HydrophobicContact CD2-CE1 4.02Å; F333-F548 AromaticContact CD2-CZ 3.98Å; F333-F548 HydrophobicContact CD2-CZ 3.98Å; F333-F548 HydrophobicContact CE1-CD1 4.5Å; F333-F548 AromaticContact CE1-CE1 3.47Å; F333-F548 HydrophobicContact CE1-CE1 3.47Å; F333-F548 VanDerWaalsContact CE1-CE1 3.47Å; F333-F548 HydrophobicContact CE1-CZ 4.05Å; F333-F548 HydrophobicContact CE2-CD1 4.23Å; F333-F548 AromaticContact CE2-CE1 3.59Å; F333-F548 HydrophobicContact CE2-CE1 3.59Å; F333-F548 HydrophobicContact CE2-CZ 4.03Å; F333-F548 HydrophobicContact CG-CE1 4.16Å; F333-F548 AromaticContact CG-CZ 3.96Å; F333-F548 HydrophobicContact CG-CZ 3.96Å; F333-F548 HydrophobicContact CZ-CD1 4Å; F333-F548 AromaticContact CZ-CE1 3.31Å; F333-F548 HydrophobicContact CZ-CE1 3.31Å; F333-F548 HydrophobicContact CZ-CZ 4.08Å; F333-E585 HydrophobicContact CD2-CG 4Å; F333-E585 HydrophobicContact CE1-CG 4.37Å; F333-E585 HydrophobicContact CE2-CB 3.78Å; F333-E585 HydrophobicContact CE2-CG 3.57Å; F333-E585 HydrophobicContact CZ-CB 4.06Å; F333-E585 HydrophobicContact CZ-CG 3.76Å
334	L	92	Very high	92.4	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-54.1	-34.2	178.2	172.7	65.3	0	0	0	113.5	K277 L278 F305 I327 L328 V338	K277-L334 HydrophobicContact CB-CD2 3.72Å; K277-L334 HydrophobicContact CD-CD2 3.56Å; K277-L334 HydrophobicContact CG-CD2 4.28Å; L278-L334 HydrophobicContact CD2-CD1 4.38Å; L278-L334 HydrophobicContact CD2-CD2 4.16Å; L278-L334 HydrophobicContact CD2-CG 4.18Å; L278-L334 HydrophobicContact CG-CD2 4.48Å; F305-L334 HydrophobicContact CE1-CD1 3.92Å; F305-L334 HydrophobicContact CZ-CD1 3.83Å; I327-L334 HydrophobicContact CD1-CB 4.37Å; I327-L334 HydrophobicContact CG1-CB 4.26Å; I327-L334 HydrophobicContact CG2-CB 4.35Å; I327-L334 HydrophobicContact CG2-CD1 3.84Å; L328-L334 HydrophobicContact CD2-CD2 4.08Å; L334-V338 HydrophobicContact CD1-CG2 3.78Å; L334-V338 HydrophobicContact CG-CG2 4.48Å; L334-V338 VanDerWaalsContact O-CB 3.3Å; L334-V338 WeakPolarHBondContact O-CB 3.36Å; L334-V338 WeakPolarHBondContact O-CG2 3.45Å; L334-V338 PolarHBondContact O-N 3.03Å
335	L	91.1	Very high	92.4	Very high	13 Å²	13	13.1 Å²	13.1	7%	0.068	8%	0.075	C	C	.	.	H	α-helix	trans	-71.3	-41.3	176.1	172.8	153.9	0	0	0	111.4	W285 S331 E332 F333 I339 Y378 T387	W285-L335 HydrophobicContact CH2-CB 4.27Å; W285-L335 HydrophobicContact CH2-CD1 4.43Å; W285-L335 HydrophobicContact CH2-CG 4.09Å; W285-L335 HydrophobicContact CZ2-CB 4.31Å; W285-L335 HydrophobicContact CZ2-CD1 3.72Å; W285-L335 HydrophobicContact CZ2-CG 3.65Å; S331-L335 WeakPolarHBondContact O-CB 3.42Å; E332-L335 PolarHBondContact O-N 3.49Å; F333-L335 PolarHBondContact O-N 2.96Å; F333-L335 VanDerWaalsContact O-N 3.08Å; L335-I339 HydrophobicContact CD2-CD1 3.69Å; L335-I339 HydrophobicContact CG-CD1 3.96Å; L335-I339 WeakPolarHBondContact O-CB 3.09Å; L335-I339 WeakPolarHBondContact O-CD1 3.44Å; L335-I339 WeakPolarHBondContact O-CG1 3.49Å; L335-I339 PolarHBondContact O-N 2.76Å; L335-Y378 HydrophobicContact CD1-CE2 4.09Å; L335-Y378 WeakPolarHBondContact CD1-OH 3.37Å; L335-T387 HydrophobicContact CD1-CG2 3.41Å; L335-T387 VanDerWaalsContact CD1-CG2 3.41Å; L335-T387 HydrophobicContact CD2-CG2 4.21Å; L335-T387 HydrophobicContact CG-CG2 4.49Å
336	I	88.9	Confident	92.6	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-66.2	-49.4	-179.1	-84.8	173	0	0	0	111.5	E332 F333 I339 H340 Q370 Y394 F548 A713	E332-I336 PolarHBondContact O-N 3.23Å; F333-I336 WeakPolarHBondContact O-CA 3.3Å; F333-I336 WeakPolarHBondContact O-CB 3.04Å; F333-I336 PolarHBondContact O-N 3Å; I336-I339 PolarHBondContact O-N 3.05Å; I336-H340 PolarHBondContact O-N 2.99Å; I336-H340 VanDerWaalsContact O-N 3.09Å; I336-Q370 VanDerWaalsContact CG2-NE2 3.33Å; I336-Q370 PolarHBondContact O-NE2 3.08Å; I336-Y394 HydrophobicContact CD1-CD1 3.64Å; I336-Y394 HydrophobicContact CD1-CE1 4.11Å; I336-Y394 HydrophobicContact CD1-CG 3.92Å; I336-Y394 HydrophobicContact CG2-CD1 4.06Å; I336-Y394 HydrophobicContact CG2-CE1 3.42Å; I336-Y394 VanDerWaalsContact CG2-CE1 3.42Å; I336-F548 HydrophobicContact CD1-CE2 3.62Å; I336-F548 HydrophobicContact CD1-CZ 3.61Å; I336-A713 VanDerWaalsContact CG2-O 3.3Å; I336-A713 WeakPolarHBondContact CG2-O 3.37Å
337	D	91.3	Very high	92.8	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-65.4	-49.6	176.7	-59.8	-71.5	0	0	0	110.5	A314 I327 F333 I339 H340 E341 S712 A713	A314-D337 HydrophobicContact CB-CB 4.45Å; I327-D337 HydrophobicContact CD1-CB 4.39Å; I327-D337 WeakPolarHBondContact CD1-OD2 3.21Å; F333-D337 PolarHBondContact O-N 3.13Å; F333-D337 VanDerWaalsContact O-OD2 3.09Å; D337-I339 PolarHBondContact O-N 2.86Å; D337-I339 VanDerWaalsContact O-N 3.13Å; D337-H340 CarbonylContact O-C 3.5Å; D337-H340 WeakPolarHBondContact O-CA 3.48Å; D337-H340 VanDerWaalsContact O-CB 3.25Å; D337-H340 WeakPolarHBondContact O-CB 3.28Å; D337-H340 PolarHBondContact O-N 3.27Å; D337-E341 VanDerWaalsContact O-CG 3.27Å; D337-E341 WeakPolarHBondContact O-CG 3.27Å; D337-E341 PolarHBondContact O-N 3.06Å; D337-S712 WeakPolarHBondContact OD1-CA 3.44Å; D337-S712 PolarHBondContact OD1-OG 3.16Å; D337-S712 PolarHBondContact OD2-OG 3.2Å; D337-A713 PolarHBondContact OD1-N 3.04Å
338	V	95.5	Very high	93	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-32.4	-179.1	175.3	0	0	0	0	112.6	L278 V282 W285 I303 I323 L334 I342	L278-V338 HydrophobicContact CD2-CG2 4.21Å; V282-V338 HydrophobicContact CG2-CG1 4.15Å; W285-V338 HydrophobicContact CE3-CG1 3.85Å; W285-V338 HydrophobicContact CZ3-CB 4.01Å; W285-V338 HydrophobicContact CZ3-CG1 3.58Å; I303-V338 HydrophobicContact CD1-CG1 3.73Å; I303-V338 HydrophobicContact CD1-CG2 4.31Å; I323-V338 HydrophobicContact CD1-CG2 3.4Å; L334-V338 HydrophobicContact CD1-CG2 3.78Å; L334-V338 HydrophobicContact CG-CG2 4.48Å; L334-V338 VanDerWaalsContact O-CB 3.3Å; L334-V338 WeakPolarHBondContact O-CB 3.36Å; L334-V338 WeakPolarHBondContact O-CG2 3.45Å; L334-V338 PolarHBondContact O-N 3.03Å; V338-I342 HydrophobicContact CG1-CD1 4.08Å; V338-I342 WeakPolarHBondContact O-CB 3.24Å; V338-I342 WeakPolarHBondContact O-CD1 3.25Å; V338-I342 WeakPolarHBondContact O-CG1 3.38Å; V338-I342 PolarHBondContact O-N 3.14Å
339	I	95.9	Very high	93.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-72.4	-34	173.6	-70.7	172.5	0	0	0	111.8	W285 L335 I336 D337 I342 A343 Q370 I373	W285-I339 HydrophobicContact CB-CG1 4.17Å; W285-I339 HydrophobicContact CD2-CD1 3.94Å; W285-I339 HydrophobicContact CD2-CG1 3.61Å; W285-I339 HydrophobicContact CE3-CG1 3.93Å; W285-I339 HydrophobicContact CG-CD1 3.97Å; W285-I339 HydrophobicContact CG-CG1 3.71Å; W285-I339 HydrophobicContact CZ2-CD1 4.4Å; L335-I339 HydrophobicContact CD2-CD1 3.69Å; L335-I339 HydrophobicContact CG-CD1 3.96Å; L335-I339 WeakPolarHBondContact O-CB 3.09Å; L335-I339 WeakPolarHBondContact O-CD1 3.44Å; L335-I339 WeakPolarHBondContact O-CG1 3.49Å; L335-I339 PolarHBondContact O-N 2.76Å; I336-I339 PolarHBondContact O-N 3.05Å; D337-I339 PolarHBondContact O-N 2.86Å; D337-I339 VanDerWaalsContact O-N 3.13Å; I339-I342 PolarHBondContact O-N 3.49Å; I339-A343 WeakPolarHBondContact O-CB 3.44Å; I339-A343 PolarHBondContact O-N 2.94Å; I339-Q370 HydrophobicContact CB-CG 4.39Å; I339-Q370 HydrophobicContact CG2-CB 4.19Å; I339-Q370 HydrophobicContact CG2-CG 3.9Å; I339-Q370 WeakPolarHBondContact CG2-O 3.43Å; I339-I373 HydrophobicContact CG2-CB 3.83Å; I339-I373 HydrophobicContact CG2-CD1 4.33Å; I339-I373 HydrophobicContact CG2-CG2 3.71Å
340	H	95.9	Very high	93.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-64.7	-47.3	173.2	-156.9	113.6	0	0	0	111.4	I336 D337 I342 A343 H344 A366 T367 Q370 Y431 A713	I336-H340 PolarHBondContact O-N 2.99Å; I336-H340 VanDerWaalsContact O-N 3.09Å; D337-H340 CarbonylContact O-C 3.5Å; D337-H340 WeakPolarHBondContact O-CA 3.48Å; D337-H340 VanDerWaalsContact O-CB 3.25Å; D337-H340 WeakPolarHBondContact O-CB 3.28Å; D337-H340 PolarHBondContact O-N 3.27Å; H340-I342 VanDerWaalsContact C-N 3.28Å; H340-I342 PolarHBondContact O-N 2.84Å; H340-A343 WeakPolarHBondContact O-CA 3.47Å; H340-A343 WeakPolarHBondContact O-CB 3.33Å; H340-A343 PolarHBondContact O-N 3Å; H340-H344 AromaticContact CD2-CD2 3.58Å; H340-H344 AromaticContact CD2-NE2 3.31Å; H340-H344 PolarHBondContact CD2-NE2 3.37Å; H340-H344 VanDerWaalsContact CD2-NE2 3.31Å; H340-H344 AromaticContact NE2-NE2 3.53Å; H340-H344 PolarHBondContact O-N 3.29Å; H340-A366 WeakPolarHBondContact NE2-CB 3.28Å; H340-T367 PolarHBondContact CE1-OG1 3.13Å; H340-T367 VanDerWaalsContact CE1-OG1 3.28Å; H340-Q370 HydrophobicContact CB-CB 4.32Å; H340-Q370 HydrophobicContact CB-CG 4.01Å; H340-Q370 PolarHBondContact ND1-OE1 2.86Å; H340-Y431 AromaticContact CE1-CD1 3.85Å; H340-Y431 AromaticContact NE2-CE1 3.93Å; H340-A713 HydrophobicContact CB-CB 4.02Å; H340-A713 WeakPolarHBondContact ND1-CB 3.5Å
341	E	97.2	Very high	93.8	Very high	14 Å²	14	9.5 Å²	9.5	7%	0.065	6%	0.055	C	C	.	.	H	α-helix	trans	-60.5	-34.3	174.8	-62.5	-59.3	144.7	0	0	113	A314 M315 E316 T321 D337	A314-E341 HydrophobicContact CB-CG 3.79Å; A314-E341 WeakPolarHBondContact CB-OE1 3.46Å; M315-E341 PolarHBondContact N-OE1 2.95Å; E316-E341 WeakPolarHBondContact CA-OE2 3.33Å; E316-E341 PolarHBondContact N-OE2 3.39Å; T321-E341 HydrophobicContact CG2-CB 3.53Å; T321-E341 HydrophobicContact CG2-CG 3.5Å; T321-E341 VanDerWaalsContact CG2-CG 3.5Å; D337-E341 VanDerWaalsContact O-CG 3.27Å; D337-E341 WeakPolarHBondContact O-CG 3.27Å; D337-E341 PolarHBondContact O-N 3.06Å
342	I	97.3	Very high	94.2	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-68.1	-46.6	170.9	-74.5	165.5	0	0	0	110.6	V282 W285 L286 A289 V338 I339 H340 H344 G345 W346 I373	V282-I342 HydrophobicContact CG1-CD1 4.29Å; W285-I342 HydrophobicContact CB-CD1 3.79Å; W285-I342 HydrophobicContact CE3-CD1 4.07Å; L286-I342 HydrophobicContact CD2-CG1 4.26Å; L286-I342 HydrophobicContact CD2-CG2 3.93Å; L286-I342 HydrophobicContact CG-CD1 4.29Å; L286-I342 HydrophobicContact CG-CG1 4.48Å; L286-I342 HydrophobicContact CG-CG2 4.46Å; A289-I342 HydrophobicContact CB-CG2 3.97Å; V338-I342 HydrophobicContact CG1-CD1 4.08Å; V338-I342 WeakPolarHBondContact O-CB 3.24Å; V338-I342 WeakPolarHBondContact O-CD1 3.25Å; V338-I342 WeakPolarHBondContact O-CG1 3.38Å; V338-I342 PolarHBondContact O-N 3.14Å; I339-I342 PolarHBondContact O-N 3.49Å; H340-I342 VanDerWaalsContact C-N 3.28Å; H340-I342 PolarHBondContact O-N 2.84Å; I342-H344 VanDerWaalsContact C-N 3.26Å; I342-H344 PolarHBondContact O-N 2.88Å; I342-G345 WeakPolarHBondContact O-CA 3.42Å; I342-G345 PolarHBondContact O-N 3.38Å; I342-W346 HydrophobicContact CG2-CZ3 4.08Å; I342-W346 WeakPolarHBondContact O-CZ3 3Å; I342-I373 HydrophobicContact CG2-CD1 4.5Å
343	A	97.4	Very high	94.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59	-36.4	179.1	0	0	0	0	0	112.6	I339 H340 G345 W346 F347 A369 I373	I339-A343 WeakPolarHBondContact O-CB 3.44Å; I339-A343 PolarHBondContact O-N 2.94Å; H340-A343 WeakPolarHBondContact O-CA 3.47Å; H340-A343 WeakPolarHBondContact O-CB 3.33Å; H340-A343 PolarHBondContact O-N 3Å; A343-G345 PolarHBondContact O-N 2.82Å; A343-G345 VanDerWaalsContact O-N 3.11Å; A343-W346 PolarHBondContact O-N 2.81Å; A343-F347 WeakPolarHBondContact O-CD2 3.31Å; A343-F347 PolarHBondContact O-N 3.38Å; A343-A369 HydrophobicContact CB-CB 3.74Å; A343-I373 HydrophobicContact CB-CD1 4.07Å
344	H	97.5	Very high	94.9	Very high	3 Å²	3	4.3 Å²	4.3	1%	0.014	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.8	173.6	-81.8	-57.4	0	0	0	114.4	E316 H340 I342 W346 F347 N349 E363 A366	E316-H344 HydrophobicContact CB-CB 3.39Å; E316-H344 HydrophobicContact CG-CB 3.75Å; H340-H344 AromaticContact CD2-CD2 3.58Å; H340-H344 AromaticContact CD2-NE2 3.31Å; H340-H344 PolarHBondContact CD2-NE2 3.37Å; H340-H344 VanDerWaalsContact CD2-NE2 3.31Å; H340-H344 AromaticContact NE2-NE2 3.53Å; H340-H344 PolarHBondContact O-N 3.29Å; I342-H344 VanDerWaalsContact C-N 3.26Å; I342-H344 PolarHBondContact O-N 2.88Å; H344-W346 PolarHBondContact O-N 3.5Å; H344-F347 VanDerWaalsContact CA-O 3.25Å; H344-F347 WeakPolarHBondContact CA-O 3.13Å; H344-F347 PolarHBondContact ND1-O 3.24Å; H344-F347 PolarHBondContact O-N 2.95Å; H344-N349 WeakPolarHBondContact O-CB 3.16Å; H344-N349 PolarHBondContact O-N 3.47Å; H344-N349 PolarHBondContact O-ND2 2.86Å; H344-E363 IonicContact CE1-OE1 2.93Å; H344-E363 IonicContact CE1-OE2 2.97Å; H344-E363 IonicContact NE2-OE2 3.49Å; H344-A366 WeakPolarHBondContact ND1-CB 3.17Å
345	G	96.4	Very high	94.9	Very high	4 Å²	4	4.4 Å²	4.4	4%	0.041	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-22.2	169.3	0	0	0	0	0	114	W298 I342 A343	W298-G345 PolarHBondContact NE1-O 2.94Å; I342-G345 WeakPolarHBondContact O-CA 3.42Å; I342-G345 PolarHBondContact O-N 3.38Å; A343-G345 PolarHBondContact O-N 2.82Å; A343-G345 VanDerWaalsContact O-N 3.11Å
346	W	96.6	Very high	94.8	Very high	13 Å²	13	3.9 Å²	3.9	5%	0.049	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-44.4	171.8	-63.9	-103.4	0	0	0	112.2	A289 E290 F293 G294 Y296 I342 A343 H344 A350 V351	A289-W346 HydrophobicContact CB-CE3 4.49Å; A289-W346 HydrophobicContact CB-CH2 3.42Å; A289-W346 VanDerWaalsContact CB-CH2 3.42Å; A289-W346 HydrophobicContact CB-CZ2 4.29Å; A289-W346 HydrophobicContact CB-CZ3 3.55Å; E290-W346 HydrophobicContact CG-CH2 4.28Å; E290-W346 HydrophobicContact CG-CZ2 3.96Å; F293-W346 HydrophobicContact CB-CD2 4.04Å; F293-W346 HydrophobicContact CB-CG 3.82Å; F293-W346 PolarHBondContact O-NE1 3.44Å; G294-W346 VanDerWaalsContact O-CE2 3.29Å; G294-W346 WeakPolarHBondContact O-CZ2 3.27Å; G294-W346 PolarHBondContact O-NE1 2.87Å; Y296-W346 AromaticContact CD2-CH2 3.59Å; Y296-W346 HydrophobicContact CD2-CH2 3.59Å; Y296-W346 HydrophobicContact CD2-CZ2 4.16Å; Y296-W346 AromaticContact CD2-CZ3 3.85Å; Y296-W346 HydrophobicContact CD2-CZ3 3.85Å; Y296-W346 HydrophobicContact CE2-CZ3 4.46Å; Y296-W346 HydrophobicContact CG-CH2 4.3Å; I342-W346 HydrophobicContact CG2-CZ3 4.08Å; I342-W346 WeakPolarHBondContact O-CZ3 3Å; A343-W346 PolarHBondContact O-N 2.81Å; H344-W346 PolarHBondContact O-N 3.5Å; W346-A350 WeakPolarHBondContact O-CB 3.27Å; W346-V351 PolarHBondContact O-N 2.83Å; W346-V351 VanDerWaalsContact O-N 3.08Å
347	F	95.9	Very high	94.7	Very high	7 Å²	7	5.8 Å²	5.8	3%	0.031	3%	0.03	C	C	.	.	B	Isolated β-bridge	trans	-113	103.4	-170	-46.7	-72.7	0	0	0	111.7	F293 A343 H344 L365 A369 L455	F293-F347 HydrophobicContact CB-CZ 4.49Å; F293-F347 HydrophobicContact CD1-CE2 4.04Å; F293-F347 AromaticContact CD1-CZ 3.84Å; F293-F347 HydrophobicContact CD1-CZ 3.84Å; F293-F347 HydrophobicContact CD2-CE2 4.09Å; F293-F347 HydrophobicContact CE1-CE2 4.26Å; F293-F347 HydrophobicContact CE1-CZ 4.26Å; F293-F347 HydrophobicContact CE2-CE2 4.3Å; F293-F347 AromaticContact CG-CE2 3.97Å; F293-F347 HydrophobicContact CG-CE2 3.97Å; F293-F347 HydrophobicContact CG-CZ 4.06Å; F293-F347 HydrophobicContact CZ-CE2 4.39Å; A343-F347 WeakPolarHBondContact O-CD2 3.31Å; A343-F347 PolarHBondContact O-N 3.38Å; H344-F347 VanDerWaalsContact CA-O 3.25Å; H344-F347 WeakPolarHBondContact CA-O 3.13Å; H344-F347 PolarHBondContact ND1-O 3.24Å; H344-F347 PolarHBondContact O-N 2.95Å; F347-L365 HydrophobicContact CB-CB 3.69Å; F347-L365 HydrophobicContact CD1-CB 3.86Å; F347-L365 HydrophobicContact CD1-CD1 3.91Å; F347-L365 HydrophobicContact CD1-CG 4.37Å; F347-L365 HydrophobicContact CG-CB 3.75Å; F347-A369 HydrophobicContact CD2-CB 3.66Å; F347-A369 HydrophobicContact CE2-CB 3.5Å; F347-A369 VanDerWaalsContact CE2-CB 3.5Å; F347-L455 HydrophobicContact CE1-CB 4.43Å; F347-L455 HydrophobicContact CE1-CD2 4.3Å; F347-L455 HydrophobicContact CZ-CB 4.11Å
348	G	93.5	Very high	94.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.5	-67	-163.1	0	0	0	0	0	109.8	V351 T352	G348-V351 CarbonylContact C-O 3.56Å; G348-V351 WeakPolarHBondContact CA-O 3.39Å; G348-V351 PolarHBondContact N-O 2.96Å; G348-T352 WeakPolarHBondContact O-CA 3.1Å; G348-T352 VanDerWaalsContact O-CB 3.29Å; G348-T352 WeakPolarHBondContact O-CB 3.42Å; G348-T352 WeakPolarHBondContact O-CG2 3.06Å; G348-T352 PolarHBondContact O-OG1 2.96Å
349	N	96	Very high	94.3	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.016	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-57.5	-176.7	-66.3	-38.2	0	0	0	113.4	K202 L245 W298 E316 P318 H344	K202-N349 PolarHBondContact NZ-O 3.44Å; L245-N349 HydrophobicContact CD1-CB 4.49Å; L245-N349 WeakPolarHBondContact CD1-OD1 2.88Å; L245-N349 WeakPolarHBondContact CD2-OD1 3.02Å; W298-N349 HydrophobicContact CH2-CB 3.99Å; W298-N349 HydrophobicContact CZ2-CB 3.43Å; W298-N349 VanDerWaalsContact CZ2-CB 3.43Å; E316-N349 VanDerWaalsContact CG-OD1 3.27Å; E316-N349 WeakPolarHBondContact CG-OD1 3.42Å; E316-N349 PolarHBondContact O-ND2 3.17Å; P318-N349 HydrophobicContact CG-CB 4.29Å; H344-N349 WeakPolarHBondContact O-CB 3.16Å; H344-N349 PolarHBondContact O-N 3.47Å; H344-N349 PolarHBondContact O-ND2 2.86Å
350	A	95.2	Very high	94	Very high	3 Å²	3	6.2 Å²	6.2	3%	0.025	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-49.1	-174.2	0	0	0	0	0	111.3	K202 W298 W346 F461	K202-A350 PolarHBondContact NZ-O 2.65Å; W298-A350 HydrophobicContact CZ2-CB 3.98Å; W346-A350 WeakPolarHBondContact O-CB 3.27Å; A350-F461 VanDerWaalsContact O-CA 3.3Å; A350-F461 WeakPolarHBondContact O-CA 3.18Å; A350-F461 PolarHBondContact O-N 2.87Å
351	V	95.8	Very high	93.9	Very high	18 Å²	18	6.5 Å²	6.5	11%	0.109	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.5	169.6	-173.4	0	0	0	0	107.3	W346 G348 F459 V464	W346-V351 PolarHBondContact O-N 2.83Å; W346-V351 VanDerWaalsContact O-N 3.08Å; G348-V351 CarbonylContact C-O 3.56Å; G348-V351 WeakPolarHBondContact CA-O 3.39Å; G348-V351 PolarHBondContact N-O 2.96Å; V351-F459 HydrophobicContact CB-CB 4.47Å; V351-F459 HydrophobicContact CG1-CB 3.76Å; V351-F459 HydrophobicContact CG2-CB 3.91Å; V351-V464 HydrophobicContact CG1-CG1 4.42Å; V351-V464 HydrophobicContact CG1-CG2 3.61Å
352	T	95.1	Very high	93.6	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.006	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	153.5	-176.9	-45.7	0	0	0	0	111.1	P199 K202 P242 Y244 G348 Q462 S463 V464	P199-T352 HydrophobicContact CB-CG2 3.8Å; K202-T352 WeakPolarHBondContact CE-OG1 3.23Å; K202-T352 PolarHBondContact NZ-OG1 3.5Å; P242-T352 HydrophobicContact CG-CG2 4.32Å; Y244-T352 HydrophobicContact CE1-CG2 4.05Å; G348-T352 WeakPolarHBondContact O-CA 3.1Å; G348-T352 VanDerWaalsContact O-CB 3.29Å; G348-T352 WeakPolarHBondContact O-CB 3.42Å; G348-T352 WeakPolarHBondContact O-CG2 3.06Å; G348-T352 PolarHBondContact O-OG1 2.96Å; T352-Q462 PolarHBondContact N-O 3.37Å; T352-S463 CarbonylContact O-C 3.53Å; T352-S463 VanDerWaalsContact O-CA 3.22Å; T352-S463 WeakPolarHBondContact O-CA 3.39Å; T352-V464 WeakPolarHBondContact O-CG2 3.31Å; T352-V464 PolarHBondContact O-N 3.16Å
353	N	94.4	Very high	93.4	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	139.9	160.1	60.1	-59.4	0	0	0	111.5	P199 T355 E358 L361 S362 V464	P199-N353 WeakPolarHBondContact CB-O 3.3Å; P199-N353 WeakPolarHBondContact CG-O 3.11Å; N353-T355 PolarHBondContact ND2-O 2.94Å; N353-E358 HydrophobicContact CB-CB 4.26Å; N353-E358 WeakPolarHBondContact CB-O 3.47Å; N353-L361 HydrophobicContact CB-CB 4.33Å; N353-S362 PolarHBondContact OD1-OG 2.98Å; N353-V464 CarbonylContact C-O 3.58Å
354	A	93.7	Very high	93.2	Very high	3 Å²	3	6.1 Å²	6.1	3%	0.025	3%	0.032	C	C	.	.	S	Bend	trans	-87.9	-17.4	-178.8	0	0	0	0	0	114.1	L45 A200 V464 V465	L45-A354 HydrophobicContact CD1-CB 3.55Å; L45-A354 HydrophobicContact CD2-CB 3.85Å; L45-A354 HydrophobicContact CG-CB 4.3Å; A200-A354 WeakPolarHBondContact CB-O 3.04Å; A354-V464 VanDerWaalsContact CB-O 3.29Å; A354-V464 WeakPolarHBondContact CB-O 3.46Å; A354-V464 PolarHBondContact N-O 3.46Å; A354-V465 HydrophobicContact CB-CG1 3.9Å
355	T	91.9	Very high	93	Very high	5 Å²	5	6.6 Å²	6.6	3%	0.031	3%	0.034	C	C	.	.	S	Bend	trans	-141.9	164	168.7	62.1	0	0	0	0	108.8	L45 V46 D47 N353 E357 E358	L45-T355 HydrophobicContact CD1-CG2 3.94Å; L45-T355 HydrophobicContact CG-CG2 4.14Å; V46-T355 WeakPolarHBondContact O-CG2 3.19Å; D47-T355 HydrophobicContact CB-CG2 4.16Å; N353-T355 PolarHBondContact ND2-O 2.94Å; T355-E357 PolarHBondContact O-N 3.25Å; T355-E358 PolarHBondContact O-N 3.2Å; T355-E358 VanDerWaalsContact O-N 3.14Å
356	W	89.9	Confident	93	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.008	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-69.1	-21.8	176.7	-61.1	108.3	0	0	0	114.1	H185 S186 V187 P199 Y244 E358 M359 I416 P422	H185-W356 AromaticContact CD2-CH2 3.56Å; H185-W356 AromaticContact CD2-CZ3 3.52Å; H185-W356 AromaticContact NE2-CE3 3.98Å; H185-W356 AromaticContact NE2-CH2 3.75Å; H185-W356 AromaticContact NE2-CZ3 3.16Å; H185-W356 WeakPolarHBondContact NE2-CZ3 3.29Å; S186-W356 WeakPolarHBondContact O-CZ2 3.28Å; V187-W356 HydrophobicContact CG1-CZ2 4.29Å; V187-W356 VanDerWaalsContact CG1-NE1 3.27Å; P199-W356 HydrophobicContact CB-CH2 4.26Å; P199-W356 HydrophobicContact CB-CZ2 4.24Å; P199-W356 HydrophobicContact CG-CD2 4.24Å; P199-W356 HydrophobicContact CG-CH2 4.15Å; P199-W356 HydrophobicContact CG-CZ2 3.85Å; P199-W356 HydrophobicContact CG-CZ3 4.46Å; Y244-W356 AromaticContact CD1-CH2 3.58Å; Y244-W356 HydrophobicContact CD1-CH2 3.58Å; Y244-W356 HydrophobicContact CD1-CZ2 4.13Å; Y244-W356 HydrophobicContact CD2-CH2 4.41Å; Y244-W356 AromaticContact CE1-CH2 3.89Å; Y244-W356 HydrophobicContact CE1-CH2 3.89Å; Y244-W356 AromaticContact CG-CH2 3.88Å; Y244-W356 HydrophobicContact CG-CH2 3.88Å; Y244-W356 HydrophobicContact CG-CZ2 4.46Å; W356-E358 PolarHBondContact O-N 3.46Å; W356-M359 HydrophobicContact CE3-CG 4.36Å; W356-M359 HydrophobicContact CE3-SD 3.95Å; W356-M359 HydrophobicContact CZ3-SD 4.29Å; W356-M359 VanDerWaalsContact O-CB 3.23Å; W356-M359 WeakPolarHBondContact O-CB 3.38Å; W356-M359 PolarHBondContact O-N 2.99Å; W356-I416 HydrophobicContact CB-CD1 3.7Å; W356-P422 HydrophobicContact CB-CB 3.81Å; W356-P422 HydrophobicContact CB-CG 4.1Å; W356-P422 HydrophobicContact CD2-CB 4.25Å; W356-P422 HydrophobicContact CG-CB 3.72Å; W356-P422 HydrophobicContact CG-CG 3.9Å
357	E	86.1	Confident	92.8	Very high	41 Å²	41	5.8 Å²	5.8	19%	0.192	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	-62.4	-26.3	171.2	-53.1	175.4	122.2	0	0	111.6	T355 R413 I416	T355-E357 PolarHBondContact O-N 3.25Å; E357-R413 HydrophobicContact CB-CG 3.93Å; E357-R413 WeakPolarHBondContact O-CA 3.4Å; E357-R413 WeakPolarHBondContact O-CG 3.33Å; E357-I416 HydrophobicContact CB-CD1 4.42Å; E357-I416 HydrophobicContact CG-CB 3.96Å; E357-I416 HydrophobicContact CG-CD1 3.56Å; E357-I416 HydrophobicContact CG-CG1 3.73Å; E357-I416 PolarHBondContact OE1-N 3.42Å; E357-I416 VanDerWaalsContact OE1-N 3.08Å
358	E	88.8	Confident	92.6	Very high	7 Å²	7	6 Å²	6	3%	0.033	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-101.6	17.5	179.9	-64.8	-74.3	-173.1	0	0	112.3	N353 T355 W356 W360 L361 R413 V465 A466	N353-E358 HydrophobicContact CB-CB 4.26Å; N353-E358 WeakPolarHBondContact CB-O 3.47Å; T355-E358 PolarHBondContact O-N 3.2Å; T355-E358 VanDerWaalsContact O-N 3.14Å; W356-E358 PolarHBondContact O-N 3.46Å; E358-W360 PolarHBondContact O-N 2.81Å; E358-W360 VanDerWaalsContact O-N 3.09Å; E358-W360 PolarHBondContact OE2-NE1 2.76Å; E358-L361 HydrophobicContact CB-CD1 3.89Å; E358-L361 VanDerWaalsContact O-CB 3.31Å; E358-L361 WeakPolarHBondContact O-CB 3.44Å; E358-L361 WeakPolarHBondContact O-CG 3.27Å; E358-L361 PolarHBondContact O-N 3.39Å; E358-R413 IonicContact OE1-CZ 3.73Å; E358-R413 VanDerWaalsContact OE1-CZ 3.3Å; E358-R413 IonicContact OE1-NE 2.77Å; E358-R413 PolarHBondContact OE1-NE 3.29Å; E358-R413 IonicContact OE1-NH2 3.69Å; E358-R413 PolarHBondContact OE1-NH2 2.98Å; E358-R413 IonicContact OE2-NH2 2.88Å; E358-V465 HydrophobicContact CG-CB 4.29Å; E358-V465 HydrophobicContact CG-CG1 4.3Å; E358-A466 WeakPolarHBondContact OE2-CB 3.12Å; E358-A466 PolarHBondContact OE2-N 2.94Å
359	M	89.3	Confident	92.7	Very high	3 Å²	3	6 Å²	6	2%	0.015	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.7	-175.8	-171	171	81.6	0	0	113.8	W356 L361 S362 E363 L425 M426 T430	W356-M359 HydrophobicContact CE3-CG 4.36Å; W356-M359 HydrophobicContact CE3-SD 3.95Å; W356-M359 HydrophobicContact CZ3-SD 4.29Å; W356-M359 VanDerWaalsContact O-CB 3.23Å; W356-M359 WeakPolarHBondContact O-CB 3.38Å; W356-M359 PolarHBondContact O-N 2.99Å; M359-L361 PolarHBondContact O-N 3.27Å; M359-L361 VanDerWaalsContact O-N 3.11Å; M359-S362 WeakPolarHBondContact O-CB 3.21Å; M359-S362 PolarHBondContact O-N 3.05Å; M359-E363 HydrophobicContact CG-CG 4.1Å; M359-E363 PolarHBondContact O-N 3Å; M359-E363 VanDerWaalsContact O-N 3.16Å; M359-L425 VanDerWaalsContact CE-C 3.41Å; M359-L425 HydrophobicContact CE-CB 3.76Å; M359-L425 VanDerWaalsContact CE-O 3.22Å; M359-L425 WeakPolarHBondContact CE-O 3.46Å; M359-M426 HydrophobicContact CE-CG 3.93Å; M359-T430 HydrophobicContact CB-CG2 4.26Å; M359-T430 HydrophobicContact CE-CG2 3.93Å; M359-T430 HydrophobicContact CG-CG2 4.37Å
360	W	90.2	Very high	92.6	Very high	1 Å²	1	5.9 Å²	5.9	0%	0.004	3%	0.03	C	C	.	.	H	α-helix	trans	-57.6	-22.4	172.4	78.5	-88.3	0	0	0	113.7	E358 S362 G364 I412 T430 F437 V438 A466 L469 L497	E358-W360 PolarHBondContact O-N 2.81Å; E358-W360 VanDerWaalsContact O-N 3.09Å; E358-W360 PolarHBondContact OE2-NE1 2.76Å; W360-S362 VanDerWaalsContact C-N 3.26Å; W360-S362 PolarHBondContact O-N 2.92Å; W360-G364 VanDerWaalsContact O-CA 3.27Å; W360-G364 WeakPolarHBondContact O-CA 3.37Å; W360-G364 PolarHBondContact O-N 2.79Å; W360-I412 HydrophobicContact CB-CG2 3.37Å; W360-I412 HydrophobicContact CD2-CG2 3.95Å; W360-I412 HydrophobicContact CG-CG2 3.3Å; W360-T430 HydrophobicContact CB-CG2 4Å; W360-F437 AromaticContact CH2-CD1 3.56Å; W360-F437 HydrophobicContact CH2-CD1 3.56Å; W360-F437 AromaticContact CH2-CE1 3.67Å; W360-F437 HydrophobicContact CH2-CE1 3.67Å; W360-F437 HydrophobicContact CZ2-CD1 4.38Å; W360-F437 HydrophobicContact CZ2-CE1 4.34Å; W360-F437 AromaticContact CZ3-CD1 3.64Å; W360-F437 HydrophobicContact CZ3-CD1 3.64Å; W360-F437 HydrophobicContact CZ3-CE1 4.23Å; W360-V438 HydrophobicContact CZ3-CG2 4.38Å; W360-A466 HydrophobicContact CZ2-CB 3.77Å; W360-L469 HydrophobicContact CH2-CD2 4.08Å; W360-L497 HydrophobicContact CH2-CD2 4.21Å; W360-L497 HydrophobicContact CZ2-CD2 3.37Å
361	L	92.9	Very high	92.3	Very high	7 Å²	7	6.2 Å²	6.2	4%	0.037	3%	0.031	C	C	.	.	H	α-helix	trans	-68.1	-25.5	173.2	-69	171.5	0	0	0	112.8	N353 E358 M359 L365 V464 L469	N353-L361 HydrophobicContact CB-CB 4.33Å; E358-L361 HydrophobicContact CB-CD1 3.89Å; E358-L361 VanDerWaalsContact O-CB 3.31Å; E358-L361 WeakPolarHBondContact O-CB 3.44Å; E358-L361 WeakPolarHBondContact O-CG 3.27Å; E358-L361 PolarHBondContact O-N 3.39Å; M359-L361 PolarHBondContact O-N 3.27Å; M359-L361 VanDerWaalsContact O-N 3.11Å; L361-L365 WeakPolarHBondContact O-CB 3.01Å; L361-L365 WeakPolarHBondContact O-CD1 2.95Å; L361-V464 HydrophobicContact CD1-CG2 4.35Å; L361-V464 WeakPolarHBondContact CD1-O 3.45Å; L361-L469 HydrophobicContact CD2-CB 4.33Å; L361-L469 HydrophobicContact CD2-CD2 3.64Å
362	S	92.4	Very high	92.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-85.4	-64.4	172.3	-60	0	0	0	0	108	N353 M359 W360 G364 L365 A366	N353-S362 PolarHBondContact OD1-OG 2.98Å; M359-S362 WeakPolarHBondContact O-CB 3.21Å; M359-S362 PolarHBondContact O-N 3.05Å; W360-S362 VanDerWaalsContact C-N 3.26Å; W360-S362 PolarHBondContact O-N 2.92Å; S362-G364 PolarHBondContact O-N 3.23Å; S362-L365 PolarHBondContact O-N 3.03Å; S362-A366 VanDerWaalsContact O-CB 3.23Å; S362-A366 WeakPolarHBondContact O-CB 3.31Å; S362-A366 PolarHBondContact O-N 3.18Å
363	E	92.3	Very high	92	Very high	6 Å²	6	6.5 Å²	6.5	3%	0.028	3%	0.03	C	C	.	.	H	α-helix	trans	-67	-43.8	-170.1	-47.8	-40.8	96	0	0	113.2	H344 M359 A366 T367 T430 Y431	H344-E363 IonicContact CE1-OE1 2.93Å; H344-E363 IonicContact CE1-OE2 2.97Å; H344-E363 IonicContact NE2-OE2 3.49Å; M359-E363 HydrophobicContact CG-CG 4.1Å; M359-E363 PolarHBondContact O-N 3Å; M359-E363 VanDerWaalsContact O-N 3.16Å; E363-A366 PolarHBondContact O-N 2.94Å; E363-T367 VanDerWaalsContact O-CB 3.27Å; E363-T367 WeakPolarHBondContact O-CB 3.21Å; E363-T367 PolarHBondContact O-N 2.89Å; E363-T367 PolarHBondContact O-OG1 3.23Å; E363-T430 HydrophobicContact CB-CG2 4.23Å; E363-T430 HydrophobicContact CG-CG2 4.04Å; E363-Y431 HydrophobicContact CB-CD1 3.71Å; E363-Y431 HydrophobicContact CB-CD2 4.36Å; E363-Y431 HydrophobicContact CB-CE1 3.64Å; E363-Y431 HydrophobicContact CB-CE2 4.34Å; E363-Y431 HydrophobicContact CB-CG 4.03Å; E363-Y431 HydrophobicContact CG-CD1 4.4Å; E363-Y431 HydrophobicContact CG-CE1 3.86Å; E363-Y431 HydrophobicContact CG-CE2 4.15Å; E363-Y431 WeakPolarHBondContact OE2-CE1 3.31Å; E363-Y431 PolarHBondContact OE2-OH 3.36Å
364	G	92.6	Very high	91.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-71.6	-34.5	-177.9	0	0	0	0	0	113.4	W360 S362 Y368	W360-G364 VanDerWaalsContact O-CA 3.27Å; W360-G364 WeakPolarHBondContact O-CA 3.37Å; W360-G364 PolarHBondContact O-N 2.79Å; S362-G364 PolarHBondContact O-N 3.23Å; G364-Y368 WeakPolarHBondContact O-CB 3.44Å; G364-Y368 PolarHBondContact O-N 2.81Å; G364-Y368 VanDerWaalsContact O-N 3.08Å
365	L	94.9	Very high	91.4	Very high	13 Å²	13	9.1 Å²	9.1	7%	0.068	5%	0.046	C	C	.	.	H	α-helix	trans	-74	-38.4	171.5	-77.8	177	0	0	0	111.5	F347 L361 S362 Y368 A369 V438 L455 L469	F347-L365 HydrophobicContact CB-CB 3.69Å; F347-L365 HydrophobicContact CD1-CB 3.86Å; F347-L365 HydrophobicContact CD1-CD1 3.91Å; F347-L365 HydrophobicContact CD1-CG 4.37Å; F347-L365 HydrophobicContact CG-CB 3.75Å; L361-L365 WeakPolarHBondContact O-CB 3.01Å; L361-L365 WeakPolarHBondContact O-CD1 2.95Å; S362-L365 PolarHBondContact O-N 3.03Å; L365-Y368 PolarHBondContact O-N 3.43Å; L365-A369 VanDerWaalsContact O-CB 3.23Å; L365-A369 WeakPolarHBondContact O-CB 3.34Å; L365-A369 PolarHBondContact O-N 3.09Å; L365-V438 HydrophobicContact CD2-CB 4.36Å; L365-V438 HydrophobicContact CD2-CG1 3.73Å; L365-V438 HydrophobicContact CD2-CG2 3.6Å; L365-V438 HydrophobicContact CG-CG2 4.11Å; L365-L455 HydrophobicContact CD2-CD2 3.9Å; L365-L469 HydrophobicContact CD1-CD2 4.23Å
366	A	94.9	Very high	91.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.9	-45.7	173.4	0	0	0	0	0	111.6	H340 H344 S362 E363 Y368 A369 Q370	H340-A366 WeakPolarHBondContact NE2-CB 3.28Å; H344-A366 WeakPolarHBondContact ND1-CB 3.17Å; S362-A366 VanDerWaalsContact O-CB 3.23Å; S362-A366 WeakPolarHBondContact O-CB 3.31Å; S362-A366 PolarHBondContact O-N 3.18Å; E363-A366 PolarHBondContact O-N 2.94Å; A366-Y368 PolarHBondContact O-N 2.94Å; A366-A369 PolarHBondContact O-N 3.03Å; A366-Q370 WeakPolarHBondContact O-CB 2.93Å; A366-Q370 PolarHBondContact O-N 3.13Å
367	T	92.4	Very high	91.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.5	-45.6	173.5	-53.7	0	0	0	0	111.8	H340 E363 Q370 R371 F435	H340-T367 PolarHBondContact CE1-OG1 3.13Å; H340-T367 VanDerWaalsContact CE1-OG1 3.28Å; E363-T367 VanDerWaalsContact O-CB 3.27Å; E363-T367 WeakPolarHBondContact O-CB 3.21Å; E363-T367 PolarHBondContact O-N 2.89Å; E363-T367 PolarHBondContact O-OG1 3.23Å; T367-Q370 PolarHBondContact O-OE1 3.25Å; T367-R371 WeakPolarHBondContact O-CB 3.16Å; T367-R371 WeakPolarHBondContact O-CD 3.33Å; T367-R371 WeakPolarHBondContact O-CG 3.35Å; T367-R371 PolarHBondContact O-N 2.7Å; T367-R371 VanDerWaalsContact O-N 3.1Å; T367-F435 HydrophobicContact CG2-CB 3.71Å; T367-F435 HydrophobicContact CG2-CD2 4.22Å; T367-F435 HydrophobicContact CG2-CG 4.03Å
368	Y	92.8	Very high	91.1	Very high	12 Å²	12	14.3 Å²	14.3	5%	0.047	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-46.2	175.6	179.4	-89.8	0	0	0	112.1	G364 L365 A366 R371 R372 F435 V438 S442 F451 L455	G364-Y368 WeakPolarHBondContact O-CB 3.44Å; G364-Y368 PolarHBondContact O-N 2.81Å; G364-Y368 VanDerWaalsContact O-N 3.08Å; L365-Y368 PolarHBondContact O-N 3.43Å; A366-Y368 PolarHBondContact O-N 2.94Å; Y368-R371 PolarHBondContact O-N 3.06Å; Y368-R372 HydrophobicContact CD1-CG 3.92Å; Y368-R372 HydrophobicContact CE1-CG 3.4Å; Y368-R372 HydrophobicContact CE2-CG 4.49Å; Y368-R372 WeakPolarHBondContact O-CG 3.14Å; Y368-R372 PolarHBondContact O-N 2.62Å; Y368-F435 HydrophobicContact CD2-CD2 4.08Å; Y368-F435 AromaticContact CD2-CE2 3.9Å; Y368-F435 HydrophobicContact CD2-CE2 3.9Å; Y368-F435 HydrophobicContact CG-CD2 4.49Å; Y368-V438 HydrophobicContact CD1-CG1 3.7Å; Y368-V438 HydrophobicContact CD2-CB 4.17Å; Y368-V438 HydrophobicContact CD2-CG1 3.63Å; Y368-V438 HydrophobicContact CE1-CG1 4.27Å; Y368-V438 HydrophobicContact CE2-CG1 4.2Å; Y368-V438 HydrophobicContact CG-CB 4.14Å; Y368-V438 HydrophobicContact CG-CG1 3.35Å; Y368-S442 WeakPolarHBondContact OH-CB 3.37Å; Y368-S442 PolarHBondContact OH-OG 2.83Å; Y368-F451 HydrophobicContact CD1-CE1 4.41Å; Y368-F451 AromaticContact CE1-CD1 3.94Å; Y368-F451 HydrophobicContact CE1-CD1 3.94Å; Y368-F451 AromaticContact CE1-CE1 3.72Å; Y368-F451 HydrophobicContact CE1-CE1 3.72Å; Y368-F451 HydrophobicContact CE2-CE1 4.43Å; Y368-F451 AromaticContact CZ-CD1 3.83Å; Y368-F451 AromaticContact CZ-CE1 3.74Å; Y368-F451 WeakPolarHBondContact OH-CD1 3.35Å; Y368-L455 HydrophobicContact CD1-CD1 3.96Å; Y368-L455 HydrophobicContact CE1-CD1 3.69Å
369	A	95.1	Very high	90.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.2	-38.8	-180	0	0	0	0	0	112.5	F293 A343 F347 L365 A366 R371 R372 I373	F293-A369 HydrophobicContact CD2-CB 4.44Å; F293-A369 HydrophobicContact CE1-CB 4.39Å; F293-A369 HydrophobicContact CE2-CB 3.57Å; F293-A369 HydrophobicContact CZ-CB 3.54Å; A343-A369 HydrophobicContact CB-CB 3.74Å; F347-A369 HydrophobicContact CD2-CB 3.66Å; F347-A369 HydrophobicContact CE2-CB 3.5Å; F347-A369 VanDerWaalsContact CE2-CB 3.5Å; L365-A369 VanDerWaalsContact O-CB 3.23Å; L365-A369 WeakPolarHBondContact O-CB 3.34Å; L365-A369 PolarHBondContact O-N 3.09Å; A366-A369 PolarHBondContact O-N 3.03Å; A369-R371 VanDerWaalsContact C-N 3.33Å; A369-R371 PolarHBondContact O-N 3.32Å; A369-R372 PolarHBondContact O-N 3.33Å; A369-I373 WeakPolarHBondContact O-CB 3.47Å; A369-I373 WeakPolarHBondContact O-CD1 3.37Å; A369-I373 WeakPolarHBondContact O-CG1 3.46Å; A369-I373 PolarHBondContact O-N 2.69Å
370	Q	93.8	Very high	89	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.1	-48.1	170.8	172.1	-149.7	34.5	0	0	110.9	I336 I339 H340 A366 T367 I373 T374 A713	I336-Q370 VanDerWaalsContact CG2-NE2 3.33Å; I336-Q370 PolarHBondContact O-NE2 3.08Å; I339-Q370 HydrophobicContact CB-CG 4.39Å; I339-Q370 HydrophobicContact CG2-CB 4.19Å; I339-Q370 HydrophobicContact CG2-CG 3.9Å; I339-Q370 WeakPolarHBondContact CG2-O 3.43Å; H340-Q370 HydrophobicContact CB-CB 4.32Å; H340-Q370 HydrophobicContact CB-CG 4.01Å; H340-Q370 PolarHBondContact ND1-OE1 2.86Å; A366-Q370 WeakPolarHBondContact O-CB 2.93Å; A366-Q370 PolarHBondContact O-N 3.13Å; T367-Q370 PolarHBondContact O-OE1 3.25Å; Q370-I373 PolarHBondContact O-N 2.56Å; Q370-T374 WeakPolarHBondContact O-CB 3.24Å; Q370-T374 PolarHBondContact O-N 2.89Å; Q370-T374 PolarHBondContact O-OG1 3.34Å; Q370-A713 PolarHBondContact NE2-O 3.3Å
371	R	89.2	Confident	87.4	Confident	11 Å²	11	25.9 Å²	25.9	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-42.6	178.7	-70.6	167.8	-171.1	-162.6	-0.7	111.5	T367 Y368 A369 T374 T375 F395 E432 F435	T367-R371 WeakPolarHBondContact O-CB 3.16Å; T367-R371 WeakPolarHBondContact O-CD 3.33Å; T367-R371 WeakPolarHBondContact O-CG 3.35Å; T367-R371 PolarHBondContact O-N 2.7Å; T367-R371 VanDerWaalsContact O-N 3.1Å; Y368-R371 PolarHBondContact O-N 3.06Å; A369-R371 VanDerWaalsContact C-N 3.33Å; A369-R371 PolarHBondContact O-N 3.32Å; R371-T374 PolarHBondContact O-N 2.87Å; R371-T375 PolarHBondContact O-N 3.27Å; R371-T375 PolarHBondContact O-OG1 3.45Å; R371-T375 VanDerWaalsContact O-OG1 3.11Å; R371-F395 HydrophobicContact CB-CE2 4.35Å; R371-F395 HydrophobicContact CB-CZ 4.34Å; R371-F395 HydrophobicContact CG-CD1 3.89Å; R371-F395 HydrophobicContact CG-CD2 4.11Å; R371-F395 HydrophobicContact CG-CE1 3.59Å; R371-F395 HydrophobicContact CG-CE2 3.82Å; R371-F395 HydrophobicContact CG-CG 4.17Å; R371-F395 HydrophobicContact CG-CZ 3.57Å; R371-F395 VanDerWaalsContact CZ-CD1 3.5Å; R371-E432 IonicContact CZ-OE1 3.76Å; R371-E432 IonicContact CZ-OE2 3.66Å; R371-E432 IonicContact NH1-OE1 3.98Å; R371-E432 IonicContact NH1-OE2 2.93Å; R371-E432 PolarHBondContact NH1-OE2 2.86Å; R371-E432 VanDerWaalsContact NH2-CD 3.32Å; R371-E432 IonicContact NH2-OE1 3.73Å; R371-E432 PolarHBondContact NH2-OE1 3.14Å; R371-E432 IonicContact NH2-OE2 3.58Å; R371-E432 PolarHBondContact NH2-OE2 3Å; R371-F435 HydrophobicContact CB-CE2 4.28Å; R371-F435 HydrophobicContact CG-CE2 4.34Å; R371-F435 VanDerWaalsContact NH1-CE1 3.27Å
372	R	91.1	Very high	85.3	Confident	24 Å²	24	28.2 Å²	28.2	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-49.7	172.1	-71	-66.6	-62	116.4	-2.7	112.6	L292 F293 Y368 A369 T374 T375 E376 D452	L292-R372 HydrophobicContact CD1-CB 4.04Å; F293-R372 HydrophobicContact CZ-CB 4.25Å; Y368-R372 HydrophobicContact CD1-CG 3.92Å; Y368-R372 HydrophobicContact CE1-CG 3.4Å; Y368-R372 HydrophobicContact CE2-CG 4.49Å; Y368-R372 WeakPolarHBondContact O-CG 3.14Å; Y368-R372 PolarHBondContact O-N 2.62Å; A369-R372 PolarHBondContact O-N 3.33Å; R372-T374 VanDerWaalsContact C-N 3.3Å; R372-T374 PolarHBondContact O-N 3.11Å; R372-T375 PolarHBondContact O-N 2.94Å; R372-E376 IonicContact CZ-OE1 3.93Å; R372-E376 VanDerWaalsContact CZ-OE1 3.23Å; R372-E376 IonicContact NH1-OE1 2.66Å; R372-E376 PolarHBondContact NH1-OE1 3.44Å; R372-E376 IonicContact NH2-OE1 3.17Å; R372-E376 PolarHBondContact NH2-OE1 3.18Å; R372-E376 PolarHBondContact O-N 2.85Å; R372-D452 IonicContact CZ-OD1 3.21Å; R372-D452 IonicContact CZ-OD2 2.95Å; R372-D452 IonicContact NE-OD1 2.79Å; R372-D452 PolarHBondContact NE-OD1 2.85Å; R372-D452 IonicContact NE-OD2 2.68Å; R372-D452 IonicContact NH2-OD1 2.77Å; R372-D452 IonicContact NH2-OD2 3.67Å; R372-D452 PolarHBondContact NH2-OD2 3.39Å
373	I	93	Very high	83.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-43.9	178.1	-67.9	158	0	0	0	110.3	W285 V288 A289 L292 F293 I339 I342 A343 A369 Q370 A377	W285-I373 HydrophobicContact CB-CG2 4.31Å; V288-I373 HydrophobicContact CB-CG2 4.44Å; V288-I373 HydrophobicContact CG1-CB 4.38Å; V288-I373 HydrophobicContact CG1-CG2 4.06Å; A289-I373 HydrophobicContact CB-CD1 3.6Å; A289-I373 HydrophobicContact CB-CG1 3.89Å; L292-I373 HydrophobicContact CD1-CG1 3.98Å; F293-I373 HydrophobicContact CE2-CD1 3.98Å; F293-I373 HydrophobicContact CE2-CG1 3.92Å; I339-I373 HydrophobicContact CG2-CB 3.83Å; I339-I373 HydrophobicContact CG2-CD1 4.33Å; I339-I373 HydrophobicContact CG2-CG2 3.71Å; I342-I373 HydrophobicContact CG2-CD1 4.5Å; A343-I373 HydrophobicContact CB-CD1 4.07Å; A369-I373 WeakPolarHBondContact O-CB 3.47Å; A369-I373 WeakPolarHBondContact O-CD1 3.37Å; A369-I373 WeakPolarHBondContact O-CG1 3.46Å; A369-I373 PolarHBondContact O-N 2.69Å; Q370-I373 PolarHBondContact O-N 2.56Å; I373-A377 WeakPolarHBondContact O-CB 3.46Å; I373-A377 PolarHBondContact O-N 3.4Å
374	T	89.3	Confident	81.2	Confident	5 Å²	5	39 Å²	39	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-45.4	178.8	-55.7	0	0	0	0	111.2	Q370 R371 R372 A377 Y378	Q370-T374 WeakPolarHBondContact O-CB 3.24Å; Q370-T374 PolarHBondContact O-N 2.89Å; Q370-T374 PolarHBondContact O-OG1 3.34Å; R371-T374 PolarHBondContact O-N 2.87Å; R372-T374 VanDerWaalsContact C-N 3.3Å; R372-T374 PolarHBondContact O-N 3.11Å; T374-A377 PolarHBondContact O-N 3.37Å; T374-Y378 HydrophobicContact CG2-CD2 4.15Å; T374-Y378 WeakPolarHBondContact O-CD2 3.42Å; T374-Y378 PolarHBondContact O-N 3.2Å
375	T	85.9	Confident	79.5	Confident	55 Å²	55	41.3 Å²	41.3	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-45.8	177.2	-61.8	0	0	0	0	112.6	R371 R372 A377 G379	R371-T375 PolarHBondContact O-N 3.27Å; R371-T375 PolarHBondContact O-OG1 3.45Å; R371-T375 VanDerWaalsContact O-OG1 3.11Å; R372-T375 PolarHBondContact O-N 2.94Å; T375-A377 PolarHBondContact O-N 2.83Å; T375-G379 CarbonylContact O-C 3.57Å; T375-G379 VanDerWaalsContact O-C 3.27Å; T375-G379 WeakPolarHBondContact O-CA 3.43Å; T375-G379 PolarHBondContact O-N 3.29Å; T375-G379 VanDerWaalsContact O-O 3.07Å
376	E	89.6	Confident	77.7	Confident	99 Å²	99	44.4 Å²	44.4	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-69.3	-33.8	176.8	-63.7	-54.5	144.3	0	0	112.4	V288 L292 R372	V288-E376 HydrophobicContact CG1-CB 3.6Å; L292-E376 HydrophobicContact CD1-CB 4.45Å; L292-E376 HydrophobicContact CD1-CG 3.98Å; L292-E376 HydrophobicContact CD2-CG 4.04Å; L292-E376 HydrophobicContact CG-CG 4.3Å; R372-E376 IonicContact CZ-OE1 3.93Å; R372-E376 VanDerWaalsContact CZ-OE1 3.23Å; R372-E376 IonicContact NH1-OE1 2.66Å; R372-E376 PolarHBondContact NH1-OE1 3.44Å; R372-E376 IonicContact NH2-OE1 3.17Å; R372-E376 PolarHBondContact NH2-OE1 3.18Å; R372-E376 PolarHBondContact O-N 2.85Å
377	A	89.3	Confident	76	Confident	5 Å²	5	46.2 Å²	46.2	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-71.2	-29.5	179.8	0	0	0	0	0	113.2	R284 V288 I373 T374 T375	R284-A377 PolarHBondContact NE-O 3.48Å; R284-A377 PolarHBondContact NH2-O 2.67Å; V288-A377 HydrophobicContact CG2-CB 4.23Å; I373-A377 WeakPolarHBondContact O-CB 3.46Å; I373-A377 PolarHBondContact O-N 3.4Å; T374-A377 PolarHBondContact O-N 3.37Å; T375-A377 PolarHBondContact O-N 2.83Å
378	Y	83.8	Confident	74.6	Confident	53 Å²	53	46.7 Å²	46.7	21%	0.208	27%	0.273	C	S	.	.	H	α-helix	trans	-121.7	-11	-174.1	-63.3	-74	0	0	0	115.3	W285 L335 T374 T387 Q388	W285-Y378 AromaticContact NE1-CE2 3.75Å; W285-Y378 AromaticContact NE1-CZ 3.71Å; W285-Y378 PolarHBondContact NE1-OH 3.26Å; L335-Y378 HydrophobicContact CD1-CE2 4.09Å; L335-Y378 WeakPolarHBondContact CD1-OH 3.37Å; T374-Y378 HydrophobicContact CG2-CD2 4.15Å; T374-Y378 WeakPolarHBondContact O-CD2 3.42Å; T374-Y378 PolarHBondContact O-N 3.2Å; Y378-T387 HydrophobicContact CD1-CG2 4.46Å; Y378-T387 HydrophobicContact CD2-CG2 4.39Å; Y378-T387 HydrophobicContact CE1-CG2 4.24Å; Y378-T387 HydrophobicContact CE2-CG2 4.18Å; Y378-Q388 PolarHBondContact O-NE2 2.68Å
379	G	72.3	Confident	73.2	Confident	33 Å²	33	46.4 Å²	46.4	34%	0.34	27%	0.273	S	S	.	.			trans	100.4	-178.1	-179.3	0	0	0	0	0	114.2	T375 Q388	T375-G379 CarbonylContact O-C 3.57Å; T375-G379 VanDerWaalsContact O-C 3.27Å; T375-G379 WeakPolarHBondContact O-CA 3.43Å; T375-G379 PolarHBondContact O-N 3.29Å; T375-G379 VanDerWaalsContact O-O 3.07Å; G379-Q388 PolarHBondContact O-NE2 2.81Å
380	E	61.7	Low	71.7	Confident	170 Å²	170	46.4 Å²	46.4	79%	0.794	27%	0.273	S	S	*	.	S	Bend	trans	-71.2	150.4	167.4	-68.4	179.5	178.5	0	0	111.5	T382 Q388	E380-T382 PolarHBondContact O-N 3Å; E380-Q388 PolarHBondContact O-NE2 2.85Å; E380-Q388 PolarHBondContact O-OE1 2.97Å
381	A	55.5	Low	70.4	Confident	50 Å²	50	46.6 Å²	46.6	41%	0.413	28%	0.275	S	S	.	.			trans	-59.1	117.9	-166	0	0	0	0	0	114.4	A511	A381-A511 HydrophobicContact CB-CB 3.72Å
382	T	50	Low	69.5	Low	57 Å²	57	47.2 Å²	47.2	35%	0.35	28%	0.28	S	S	.	.			trans	-124.7	133.8	175.9	57	0	0	0	0	110.7	E380 T384 T385 Q388 S389	E380-T382 PolarHBondContact O-N 3Å; T382-T384 PolarHBondContact O-N 3.21Å; T382-T384 PolarHBondContact OG1-OG1 3.39Å; T382-T385 PolarHBondContact O-N 2.96Å; T382-T385 PolarHBondContact OG1-OG1 2.79Å; T382-Q388 PolarHBondContact O-OE1 3.23Å; T382-Q388 PolarHBondContact OG1-OE1 2.84Å; T382-S389 PolarHBondContact O-OG 3.08Å
383	P	50.5	Low	68.4	Low	104 Å²	104	46.1 Å²	46.1	68%	0.675	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.2	177.9	-24	34	0	0	0	114.6
384	T	48	Very low	67.4	Low	129 Å²	129	46.2 Å²	46.2	79%	0.791	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.8	-179.1	44.7	0	0	0	0	114.3	T382	T382-T384 PolarHBondContact O-N 3.21Å; T382-T384 PolarHBondContact OG1-OG1 3.39Å
385	T	56.8	Low	66.7	Low	47 Å²	47	47 Å²	47	29%	0.288	28%	0.279	S	S	.	.			trans	-115.9	106	-173.7	-51.9	0	0	0	0	110.1	T382 T387 Q388 S389	T382-T385 PolarHBondContact O-N 2.96Å; T382-T385 PolarHBondContact OG1-OG1 2.79Å; T385-T387 PolarHBondContact O-N 2.92Å; T385-Q388 HydrophobicContact CG2-CB 3.82Å; T385-Q388 PolarHBondContact O-N 3.29Å; T385-S389 WeakPolarHBondContact O-CB 3.28Å; T385-S389 PolarHBondContact O-N 3.34Å; T385-S389 PolarHBondContact O-OG 3.25Å
386	S	57.6	Low	66	Low	78 Å²	78	44.5 Å²	44.5	55%	0.545	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-47.8	-173.2	53.2	0	0	0	0	113.5	Q388 S389 G390	S386-Q388 VanDerWaalsContact C-N 3.32Å; S386-Q388 PolarHBondContact O-N 3.25Å; S386-S389 PolarHBondContact O-N 3.35Å; S386-G390 PolarHBondContact O-N 2.59Å
387	T	58.9	Low	65.1	Low	39 Å²	39	40.4 Å²	40.4	24%	0.239	25%	0.245	C	C	.	.	H	α-helix	trans	-53.6	-46.6	176.9	-59.5	0	0	0	0	113.1	L335 Y378 T385 G390 S391	L335-T387 HydrophobicContact CD1-CG2 3.41Å; L335-T387 VanDerWaalsContact CD1-CG2 3.41Å; L335-T387 HydrophobicContact CD2-CG2 4.21Å; L335-T387 HydrophobicContact CG-CG2 4.49Å; Y378-T387 HydrophobicContact CD1-CG2 4.46Å; Y378-T387 HydrophobicContact CD2-CG2 4.39Å; Y378-T387 HydrophobicContact CE1-CG2 4.24Å; Y378-T387 HydrophobicContact CE2-CG2 4.18Å; T385-T387 PolarHBondContact O-N 2.92Å; T387-G390 PolarHBondContact O-N 3.26Å; T387-S391 PolarHBondContact O-N 2.98Å; T387-S391 PolarHBondContact O-OG 3.44Å
388	Q	63.2	Low	64.2	Low	9 Å²	9	40.5 Å²	40.5	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-70.6	-45.3	-178.3	-179.4	-173.2	59.5	0	0	110.8	Y378 G379 E380 T382 T385 S386 G390 S391 T392	Y378-Q388 PolarHBondContact O-NE2 2.68Å; G379-Q388 PolarHBondContact O-NE2 2.81Å; E380-Q388 PolarHBondContact O-NE2 2.85Å; E380-Q388 PolarHBondContact O-OE1 2.97Å; T382-Q388 PolarHBondContact O-OE1 3.23Å; T382-Q388 PolarHBondContact OG1-OE1 2.84Å; T385-Q388 HydrophobicContact CG2-CB 3.82Å; T385-Q388 PolarHBondContact O-N 3.29Å; S386-Q388 VanDerWaalsContact C-N 3.32Å; S386-Q388 PolarHBondContact O-N 3.25Å; Q388-G390 VanDerWaalsContact C-N 3.27Å; Q388-G390 PolarHBondContact O-N 3.43Å; Q388-S391 PolarHBondContact O-N 2.93Å; Q388-S391 VanDerWaalsContact O-N 3.13Å; Q388-T392 PolarHBondContact O-N 3.3Å; Q388-T392 PolarHBondContact O-OG1 2.97Å
389	S	62.6	Low	63.6	Low	7 Å²	7	38 Å²	38	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-40.2	174.5	-62.6	0	0	0	0	111.6	T382 T385 S386 L393 L515	T382-S389 PolarHBondContact O-OG 3.08Å; T385-S389 WeakPolarHBondContact O-CB 3.28Å; T385-S389 PolarHBondContact O-N 3.34Å; T385-S389 PolarHBondContact O-OG 3.25Å; S386-S389 PolarHBondContact O-N 3.35Å; S389-L393 VanDerWaalsContact O-CB 3.23Å; S389-L393 WeakPolarHBondContact O-CB 3.41Å; S389-L393 PolarHBondContact O-N 2.93Å; S389-L393 VanDerWaalsContact O-N 3.16Å; S389-L515 VanDerWaalsContact O-CD1 3.31Å; S389-L515 WeakPolarHBondContact O-CD1 3.24Å
390	G	62.9	Low	63.6	Low	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-51.4	171.6	0	0	0	0	0	112.4	S386 T387 Q388 L393 Y394 F548	S386-G390 PolarHBondContact O-N 2.59Å; T387-G390 PolarHBondContact O-N 3.26Å; Q388-G390 VanDerWaalsContact C-N 3.27Å; Q388-G390 PolarHBondContact O-N 3.43Å; G390-L393 PolarHBondContact O-N 3.08Å; G390-Y394 WeakPolarHBondContact O-CB 3.4Å; G390-Y394 PolarHBondContact O-N 3.05Å; G390-F548 VanDerWaalsContact C-CD2 3.44Å; G390-F548 WeakPolarHBondContact O-CD2 3.47Å
391	S	67.8	Low	63.8	Low	4 Å²	4	34.1 Å²	34.1	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-48.7	-177.2	-53.4	0	0	0	0	112.9	T387 Q388 L393 Y394 F395	T387-S391 PolarHBondContact O-N 2.98Å; T387-S391 PolarHBondContact O-OG 3.44Å; Q388-S391 PolarHBondContact O-N 2.93Å; Q388-S391 VanDerWaalsContact O-N 3.13Å; S391-L393 PolarHBondContact O-N 2.97Å; S391-Y394 WeakPolarHBondContact O-CB 3.38Å; S391-Y394 PolarHBondContact O-N 3.38Å; S391-F395 VanDerWaalsContact O-CD1 3.32Å; S391-F395 WeakPolarHBondContact O-CD1 3.32Å; S391-F395 WeakPolarHBondContact O-CD2 3.46Å; S391-F395 WeakPolarHBondContact O-CE1 3.39Å; S391-F395 WeakPolarHBondContact O-CE2 3.32Å; S391-F395 WeakPolarHBondContact O-CG 3.39Å; S391-F395 WeakPolarHBondContact O-CZ 3.42Å; S391-F395 PolarHBondContact O-N 2.77Å; S391-F395 VanDerWaalsContact O-N 3.09Å
392	T	69.3	Low	64.5	Low	24 Å²	24	31.8 Å²	31.8	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-36.8	175.7	-57.5	0	0	0	0	112.1	Q388 T396 A511	Q388-T392 PolarHBondContact O-N 3.3Å; Q388-T392 PolarHBondContact O-OG1 2.97Å; T392-T396 PolarHBondContact O-N 3.11Å; T392-T396 PolarHBondContact O-OG1 3.4Å; T392-A511 HydrophobicContact CG2-CB 3.83Å
393	L	68.9	Low	65.3	Low	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-72.8	-38.8	178.3	-172.7	59	0	0	0	112.9	S389 G390 S391 T396 L397 I516 F548 Q549 L552	S389-L393 VanDerWaalsContact O-CB 3.23Å; S389-L393 WeakPolarHBondContact O-CB 3.41Å; S389-L393 PolarHBondContact O-N 2.93Å; S389-L393 VanDerWaalsContact O-N 3.16Å; G390-L393 PolarHBondContact O-N 3.08Å; S391-L393 PolarHBondContact O-N 2.97Å; L393-T396 CarbonylContact O-C 3.6Å; L393-T396 PolarHBondContact O-N 3.02Å; L393-L397 WeakPolarHBondContact O-CB 3.3Å; L393-L397 PolarHBondContact O-N 3.13Å; L393-I516 HydrophobicContact CD1-CD1 3.82Å; L393-I516 HydrophobicContact CD1-CG1 3.28Å; L393-F548 HydrophobicContact CB-CB 4.26Å; L393-F548 HydrophobicContact CD2-CB 4.1Å; L393-F548 HydrophobicContact CG-CB 4.25Å; L393-Q549 HydrophobicContact CD2-CB 3.96Å; L393-Q549 HydrophobicContact CD2-CG 3.23Å; L393-L552 HydrophobicContact CD1-CD2 3.72Å; L393-L552 HydrophobicContact CD2-CD2 4.45Å; L393-L552 HydrophobicContact CG-CD2 4.39Å
394	Y	71.5	Confident	65.8	Low	1 Å²	1	31.4 Å²	31.4	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-49.7	174.1	174.4	-109.6	0	0	0	111.7	F333 I336 G390 S391 T396 L397 H398 F548 S712 A713	F333-Y394 HydrophobicContact CD1-CE2 4.48Å; F333-Y394 HydrophobicContact CE1-CE2 4.12Å; I336-Y394 HydrophobicContact CD1-CD1 3.64Å; I336-Y394 HydrophobicContact CD1-CE1 4.11Å; I336-Y394 HydrophobicContact CD1-CG 3.92Å; I336-Y394 HydrophobicContact CG2-CD1 4.06Å; I336-Y394 HydrophobicContact CG2-CE1 3.42Å; I336-Y394 VanDerWaalsContact CG2-CE1 3.42Å; G390-Y394 WeakPolarHBondContact O-CB 3.4Å; G390-Y394 PolarHBondContact O-N 3.05Å; S391-Y394 WeakPolarHBondContact O-CB 3.38Å; S391-Y394 PolarHBondContact O-N 3.38Å; Y394-T396 PolarHBondContact O-N 3.21Å; Y394-L397 WeakPolarHBondContact O-CB 3.48Å; Y394-L397 PolarHBondContact O-N 3.34Å; Y394-L397 VanDerWaalsContact O-N 3.11Å; Y394-H398 AromaticContact CD2-NE2 3.79Å; Y394-H398 AromaticContact CE1-CE1 3.95Å; Y394-H398 AromaticContact CE2-CD2 3.84Å; Y394-H398 AromaticContact CE2-CE1 3.36Å; Y394-H398 WeakPolarHBondContact CE2-CE1 3.19Å; Y394-H398 AromaticContact CE2-NE2 3.14Å; Y394-H398 WeakPolarHBondContact CE2-NE2 3.36Å; Y394-H398 AromaticContact CZ-CE1 3.22Å; Y394-H398 AromaticContact CZ-ND1 3.83Å; Y394-H398 AromaticContact CZ-NE2 3.57Å; Y394-H398 PolarHBondContact O-N 2.78Å; Y394-H398 PolarHBondContact OH-CE1 2.95Å; Y394-F548 AromaticContact CD2-CD1 3.71Å; Y394-F548 HydrophobicContact CD2-CD1 3.71Å; Y394-F548 AromaticContact CD2-CE1 3.15Å; Y394-F548 HydrophobicContact CD2-CE1 3.15Å; Y394-F548 AromaticContact CD2-CZ 3.72Å; Y394-F548 HydrophobicContact CD2-CZ 3.72Å; Y394-F548 AromaticContact CE2-CE1 3.83Å; Y394-F548 HydrophobicContact CE2-CE1 3.83Å; Y394-F548 HydrophobicContact CE2-CZ 4.3Å; Y394-F548 HydrophobicContact CG-CD1 4.19Å; Y394-F548 AromaticContact CG-CE1 3.75Å; Y394-F548 HydrophobicContact CG-CE1 3.75Å; Y394-F548 AromaticContact CG-CZ 3.93Å; Y394-F548 HydrophobicContact CG-CZ 3.93Å; Y394-S712 WeakPolarHBondContact OH-CB 3.29Å; Y394-S712 PolarHBondContact OH-O 3.39Å; Y394-S712 PolarHBondContact OH-OG 3.37Å; Y394-A713 VanDerWaalsContact CE1-O 3.27Å; Y394-A713 WeakPolarHBondContact CE1-O 3.45Å; Y394-A713 VanDerWaalsContact OH-C 3.28Å; Y394-A713 PolarHBondContact OH-N 3.49Å; Y394-A713 PolarHBondContact OH-O 3.27Å
395	F	74.8	Confident	66.1	Low	22 Å²	22	26.9 Å²	26.9	10%	0.096	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-38.7	175.7	-45.3	-31.5	0	0	0	111.1	R371 S391 L399	R371-F395 HydrophobicContact CB-CE2 4.35Å; R371-F395 HydrophobicContact CB-CZ 4.34Å; R371-F395 HydrophobicContact CG-CD1 3.89Å; R371-F395 HydrophobicContact CG-CD2 4.11Å; R371-F395 HydrophobicContact CG-CE1 3.59Å; R371-F395 HydrophobicContact CG-CE2 3.82Å; R371-F395 HydrophobicContact CG-CG 4.17Å; R371-F395 HydrophobicContact CG-CZ 3.57Å; R371-F395 VanDerWaalsContact CZ-CD1 3.5Å; S391-F395 VanDerWaalsContact O-CD1 3.32Å; S391-F395 WeakPolarHBondContact O-CD1 3.32Å; S391-F395 WeakPolarHBondContact O-CD2 3.46Å; S391-F395 WeakPolarHBondContact O-CE1 3.39Å; S391-F395 WeakPolarHBondContact O-CE2 3.32Å; S391-F395 WeakPolarHBondContact O-CG 3.39Å; S391-F395 WeakPolarHBondContact O-CZ 3.42Å; S391-F395 PolarHBondContact O-N 2.77Å; S391-F395 VanDerWaalsContact O-N 3.09Å; F395-L399 WeakPolarHBondContact O-CB 3.4Å; F395-L399 WeakPolarHBondContact O-CG 3.22Å; F395-L399 PolarHBondContact O-N 2.75Å
396	T	71.3	Confident	66.1	Low	2 Å²	2	25.8 Å²	25.8	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-73.1	-32.1	178.3	-51.1	0	0	0	0	113.5	T392 L393 Y394 K400 L509 I516	T392-T396 PolarHBondContact O-N 3.11Å; T392-T396 PolarHBondContact O-OG1 3.4Å; L393-T396 CarbonylContact O-C 3.6Å; L393-T396 PolarHBondContact O-N 3.02Å; Y394-T396 PolarHBondContact O-N 3.21Å; T396-K400 HydrophobicContact CG2-CD 4.12Å; T396-K400 WeakPolarHBondContact O-CB 3.49Å; T396-K400 WeakPolarHBondContact O-CD 3.25Å; T396-K400 VanDerWaalsContact O-CG 3.27Å; T396-K400 WeakPolarHBondContact O-CG 3.44Å; T396-K400 PolarHBondContact O-N 3.21Å; T396-L509 HydrophobicContact CG2-CB 4.29Å; T396-L509 HydrophobicContact CG2-CD1 3.9Å; T396-I516 HydrophobicContact CG2-CD1 3.31Å
397	L	69.8	Low	65.9	Low	13 Å²	13	27.1 Å²	27.1	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-66.8	-50.7	173.1	171.3	63.9	0	0	0	109.7	L393 Y394 L399 K400 I401 V551 L552	L393-L397 WeakPolarHBondContact O-CB 3.3Å; L393-L397 PolarHBondContact O-N 3.13Å; Y394-L397 WeakPolarHBondContact O-CB 3.48Å; Y394-L397 PolarHBondContact O-N 3.34Å; Y394-L397 VanDerWaalsContact O-N 3.11Å; L397-L399 PolarHBondContact O-N 3.41Å; L397-K400 PolarHBondContact O-N 3.44Å; L397-I401 HydrophobicContact CD1-CD1 3.82Å; L397-I401 HydrophobicContact CD1-CG1 4.2Å; L397-I401 HydrophobicContact CG-CD1 3.86Å; L397-I401 WeakPolarHBondContact O-CG1 3.47Å; L397-I401 PolarHBondContact O-N 3.49Å; L397-V551 HydrophobicContact CD2-CG1 3.79Å; L397-L552 HydrophobicContact CD1-CD1 3.75Å
398	H	70.6	Confident	65.4	Low	7 Å²	7	29.3 Å²	29.3	3%	0.032	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-45.8	-179.6	-82.6	-152.8	0	0	0	113.1	Y394 K400 I401 L402 L428 E432 V711	Y394-H398 AromaticContact CD2-NE2 3.79Å; Y394-H398 AromaticContact CE1-CE1 3.95Å; Y394-H398 AromaticContact CE2-CD2 3.84Å; Y394-H398 AromaticContact CE2-CE1 3.36Å; Y394-H398 WeakPolarHBondContact CE2-CE1 3.19Å; Y394-H398 AromaticContact CE2-NE2 3.14Å; Y394-H398 WeakPolarHBondContact CE2-NE2 3.36Å; Y394-H398 AromaticContact CZ-CE1 3.22Å; Y394-H398 AromaticContact CZ-ND1 3.83Å; Y394-H398 AromaticContact CZ-NE2 3.57Å; Y394-H398 PolarHBondContact O-N 2.78Å; Y394-H398 PolarHBondContact OH-CE1 2.95Å; H398-K400 VanDerWaalsContact C-N 3.27Å; H398-K400 PolarHBondContact O-N 3.36Å; H398-I401 PolarHBondContact O-N 2.96Å; H398-I401 VanDerWaalsContact O-N 3.16Å; H398-L402 WeakPolarHBondContact O-CB 3.33Å; H398-L402 PolarHBondContact O-N 3.09Å; H398-L428 HydrophobicContact CB-CD1 4.28Å; H398-E432 VanDerWaalsContact CB-CD 3.5Å; H398-E432 HydrophobicContact CB-CG 3.96Å; H398-E432 WeakPolarHBondContact CB-OE1 3.31Å; H398-E432 IonicContact CG-OE1 3.61Å; H398-E432 IonicContact ND1-OE1 3.83Å; H398-E432 PolarHBondContact ND1-OE1 2.98Å; H398-V711 WeakPolarHBondContact NE2-CG1 3.1Å
399	L	72.3	Confident	64.5	Low	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-33.8	176.4	-71.7	169.2	0	0	0	112.6	F395 L397 L402 I403 E432 F435 C436 P507 L509	F395-L399 WeakPolarHBondContact O-CB 3.4Å; F395-L399 WeakPolarHBondContact O-CG 3.22Å; F395-L399 PolarHBondContact O-N 2.75Å; L397-L399 PolarHBondContact O-N 3.41Å; L399-L402 HydrophobicContact CD2-CD2 4.33Å; L399-L402 WeakPolarHBondContact O-CB 3.28Å; L399-L402 PolarHBondContact O-N 3.15Å; L399-I403 WeakPolarHBondContact O-CD1 3.41Å; L399-I403 VanDerWaalsContact O-CG1 3.25Å; L399-I403 WeakPolarHBondContact O-CG1 3.4Å; L399-I403 PolarHBondContact O-N 2.8Å; L399-E432 HydrophobicContact CD2-CB 4.19Å; L399-F435 HydrophobicContact CD1-CE1 4.22Å; L399-F435 HydrophobicContact CD2-CD1 4.47Å; L399-C436 WeakPolarHBondContact CD2-SG 3.43Å; L399-P507 HydrophobicContact CD1-CG 4.22Å; L399-L509 HydrophobicContact CB-CD1 4.22Å; L399-L509 HydrophobicContact CD1-CD1 3.79Å; L399-L509 HydrophobicContact CD1-CD2 3.71Å; L399-L509 HydrophobicContact CD1-CG 4.32Å
400	K	71	Confident	64.1	Low	85 Å²	85	40 Å²	40	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-71.8	-36.1	173.9	-74.4	172.5	-176.8	173.6	0	112.7	T396 L397 H398 A404	T396-K400 HydrophobicContact CG2-CD 4.12Å; T396-K400 WeakPolarHBondContact O-CB 3.49Å; T396-K400 WeakPolarHBondContact O-CD 3.25Å; T396-K400 VanDerWaalsContact O-CG 3.27Å; T396-K400 WeakPolarHBondContact O-CG 3.44Å; T396-K400 PolarHBondContact O-N 3.21Å; L397-K400 PolarHBondContact O-N 3.44Å; H398-K400 VanDerWaalsContact C-N 3.27Å; H398-K400 PolarHBondContact O-N 3.36Å; K400-A404 VanDerWaalsContact O-CB 3.24Å; K400-A404 WeakPolarHBondContact O-CB 3.37Å; K400-A404 PolarHBondContact O-N 3.39Å
401	I	66.7	Low	63.6	Low	37 Å²	37	41.7 Å²	41.7	19%	0.19	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-44.8	171.5	-66	167.8	0	0	0	109.8	L397 H398 I403 A404 L405 L428	L397-I401 HydrophobicContact CD1-CD1 3.82Å; L397-I401 HydrophobicContact CD1-CG1 4.2Å; L397-I401 HydrophobicContact CG-CD1 3.86Å; L397-I401 WeakPolarHBondContact O-CG1 3.47Å; L397-I401 PolarHBondContact O-N 3.49Å; H398-I401 PolarHBondContact O-N 2.96Å; H398-I401 VanDerWaalsContact O-N 3.16Å; I401-I403 PolarHBondContact O-N 2.83Å; I401-A404 PolarHBondContact O-N 2.98Å; I401-L405 HydrophobicContact CG2-CD1 3.57Å; I401-L405 HydrophobicContact CG2-CG 3.97Å; I401-L405 VanDerWaalsContact O-CB 3.29Å; I401-L405 WeakPolarHBondContact O-CB 3.25Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.5Å; I401-L405 PolarHBondContact O-N 3.28Å; I401-L428 HydrophobicContact CB-CD2 3.84Å; I401-L428 HydrophobicContact CG2-CD2 3.5Å; I401-L428 VanDerWaalsContact CG2-CD2 3.5Å
402	L	69.2	Low	63	Low	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.6	-51.5	174.6	-179.1	76.2	0	0	0	111.3	H398 L399 A404 L405 S406 L428 F429 E432 K433 P503	H398-L402 WeakPolarHBondContact O-CB 3.33Å; H398-L402 PolarHBondContact O-N 3.09Å; L399-L402 HydrophobicContact CD2-CD2 4.33Å; L399-L402 WeakPolarHBondContact O-CB 3.28Å; L399-L402 PolarHBondContact O-N 3.15Å; L402-A404 PolarHBondContact O-N 3.37Å; L402-L405 PolarHBondContact O-N 3.07Å; L402-S406 VanDerWaalsContact O-CB 3.25Å; L402-S406 WeakPolarHBondContact O-CB 3.5Å; L402-S406 PolarHBondContact O-N 3.08Å; L402-L428 HydrophobicContact CB-CD2 4.4Å; L402-F429 HydrophobicContact CD1-CB 4.07Å; L402-F429 HydrophobicContact CD1-CD1 3.34Å; L402-F429 HydrophobicContact CD1-CD2 4.15Å; L402-F429 HydrophobicContact CD1-CE1 3.7Å; L402-F429 HydrophobicContact CD1-CE2 4.44Å; L402-F429 HydrophobicContact CD1-CG 3.58Å; L402-F429 HydrophobicContact CD1-CZ 4.24Å; L402-F429 HydrophobicContact CG-CD1 4.45Å; L402-E432 HydrophobicContact CB-CB 4.39Å; L402-E432 HydrophobicContact CD1-CB 4.31Å; L402-E432 HydrophobicContact CD2-CB 3.81Å; L402-E432 HydrophobicContact CG-CB 4.4Å; L402-K433 HydrophobicContact CD1-CB 4.46Å; L402-K433 HydrophobicContact CD2-CB 4.17Å; L402-P503 HydrophobicContact CD2-CG 4.07Å
403	I	67.3	Low	62.1	Low	66 Å²	66	42.1 Å²	42.1	34%	0.338	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-43	179.3	-68	163.8	0	0	0	110.8	L399 I401 S406	L399-I403 WeakPolarHBondContact O-CD1 3.41Å; L399-I403 VanDerWaalsContact O-CG1 3.25Å; L399-I403 WeakPolarHBondContact O-CG1 3.4Å; L399-I403 PolarHBondContact O-N 2.8Å; I401-I403 PolarHBondContact O-N 2.83Å; I403-S406 PolarHBondContact O-N 2.85Å; I403-S406 PolarHBondContact O-OG 2.69Å
404	A	60.5	Low	61.6	Low	88 Å²	88	44.4 Å²	44.4	73%	0.727	24%	0.238	S	C	*	.	H	α-helix	trans	-69.8	-30.7	178.8	0	0	0	0	0	114	K400 I401 L402	K400-A404 VanDerWaalsContact O-CB 3.24Å; K400-A404 WeakPolarHBondContact O-CB 3.37Å; K400-A404 PolarHBondContact O-N 3.39Å; I401-A404 PolarHBondContact O-N 2.98Å; L402-A404 PolarHBondContact O-N 3.37Å
405	L	56	Low	60.9	Low	33 Å²	33	52.8 Å²	52.8	17%	0.173	28%	0.277	C	S	.	.	H	α-helix	trans	-83.8	-12.9	176	-70.5	-179.1	0	0	0	113.3	I401 L402 E407 F429 R707	I401-L405 HydrophobicContact CG2-CD1 3.57Å; I401-L405 HydrophobicContact CG2-CG 3.97Å; I401-L405 VanDerWaalsContact O-CB 3.29Å; I401-L405 WeakPolarHBondContact O-CB 3.25Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.5Å; I401-L405 PolarHBondContact O-N 3.28Å; L402-L405 PolarHBondContact O-N 3.07Å; L405-E407 PolarHBondContact O-N 3.33Å; L405-F429 HydrophobicContact CB-CE2 4.21Å; L405-F429 HydrophobicContact CB-CZ 4.04Å; L405-R707 HydrophobicContact CD2-CG 4.33Å
406	S	56.8	Low	60.1	Low	25 Å²	25	52.2 Å²	52.2	18%	0.175	28%	0.275	C	S	.	.			trans	-72.7	64.8	-171.7	66.6	0	0	0	0	115.1	L402 I403 P502	L402-S406 VanDerWaalsContact O-CB 3.25Å; L402-S406 WeakPolarHBondContact O-CB 3.5Å; L402-S406 PolarHBondContact O-N 3.08Å; I403-S406 PolarHBondContact O-N 2.85Å; I403-S406 PolarHBondContact O-OG 2.69Å; S406-P502 WeakPolarHBondContact OG-CB 3.35Å; S406-P502 WeakPolarHBondContact OG-CD 3.48Å
407	E	52.4	Low	59.8	Low	105 Å²	105	54.9 Å²	54.9	49%	0.491	29%	0.293	S	S	.	.			trans	-55.5	160.1	162.8	-70	-77.8	-170.8	0	0	111.2	L405 F409	L405-E407 PolarHBondContact O-N 3.33Å; E407-F409 PolarHBondContact O-N 3.2Å
408	P	49.4	Very low	59.4	Low	85 Å²	85	57.1 Å²	57.1	55%	0.552	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	9.1	-170.7	-24.6	35.2	0	0	0	118	C500	P408-C500 VanDerWaalsContact O-CB 3.26Å; P408-C500 WeakPolarHBondContact O-CB 3.44Å
409	F	44.4	Very low	59.2	Low	173 Å²	173	60.9 Å²	60.9	76%	0.759	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-4.8	-161.7	-62.1	-74.6	0	0	0	115.7	E407	E407-F409 PolarHBondContact O-N 3.2Å
410	E	53.7	Low	59.5	Low	68 Å²	68	63.4 Å²	63.4	32%	0.318	35%	0.353	S	S	.	.			trans	-106.1	123.8	-174	-63.7	-168.7	-131.8	0	0	113.2	F429 K433 C500 G501	E410-F429 HydrophobicContact CB-CD1 4.07Å; E410-F429 HydrophobicContact CB-CD2 4.39Å; E410-F429 HydrophobicContact CB-CE1 3.94Å; E410-F429 HydrophobicContact CB-CE2 4.28Å; E410-F429 HydrophobicContact CB-CG 4.31Å; E410-F429 HydrophobicContact CB-CZ 4.06Å; E410-F429 VanDerWaalsContact OE2-CD2 3.28Å; E410-F429 WeakPolarHBondContact OE2-CD2 3.44Å; E410-F429 WeakPolarHBondContact OE2-CE2 3.3Å; E410-K433 PolarHBondContact O-NZ 3.41Å; E410-C500 CarbonylContact O-C 3.27Å; E410-C500 VanDerWaalsContact O-CA 3.25Å; E410-C500 WeakPolarHBondContact O-CA 3.37Å; E410-G501 PolarHBondContact O-N 2.63Å
411	D	52.8	Low	60	Low	36 Å²	36	61.4 Å²	61.4	19%	0.193	35%	0.346	C	S	.	.			trans	-120.3	158.3	-168.1	-158.7	-4.1	0	0	0	111.8	S498 G499	D411-S498 WeakPolarHBondContact OD1-CA 3.49Å; D411-S498 WeakPolarHBondContact OD2-CA 3.17Å; D411-G499 VanDerWaalsContact CG-N 3.29Å; D411-G499 PolarHBondContact OD1-N 2.91Å; D411-G499 PolarHBondContact OD2-N 2.86Å
412	I	54.3	Low	60.8	Low	5 Å²	5	59.7 Å²	59.7	3%	0.026	34%	0.337	C	S	.	.	S	Bend	trans	-74.4	-51.6	177.9	-52.2	-172	0	0	0	110.3	W360 S414 K433 W496	W360-I412 HydrophobicContact CB-CG2 3.37Å; W360-I412 HydrophobicContact CD2-CG2 3.95Å; W360-I412 HydrophobicContact CG-CG2 3.3Å; I412-S414 PolarHBondContact O-N 3.09Å; I412-K433 HydrophobicContact CD1-CB 4.07Å; I412-K433 HydrophobicContact CD1-CD 4.08Å; I412-K433 HydrophobicContact CD1-CG 3.73Å; I412-K433 HydrophobicContact CG1-CB 4.07Å; I412-K433 HydrophobicContact CG1-CD 3.6Å; I412-K433 HydrophobicContact CG1-CG 3.8Å; I412-W496 WeakPolarHBondContact CD1-O 3.45Å; I412-W496 VanDerWaalsContact CG1-O 3.22Å; I412-W496 WeakPolarHBondContact CG1-O 3.36Å
413	R	51.3	Low	61.3	Low	32 Å²	32	61.2 Å²	61.2	12%	0.121	35%	0.348	C	S	.	.	S	Bend	trans	-93.5	79.3	170.9	-173.1	-161.1	-71.6	122.9	-2.2	109.1	E357 E358 E415 E494 L497 S498	E357-R413 HydrophobicContact CB-CG 3.93Å; E357-R413 WeakPolarHBondContact O-CA 3.4Å; E357-R413 WeakPolarHBondContact O-CG 3.33Å; E358-R413 IonicContact OE1-CZ 3.73Å; E358-R413 VanDerWaalsContact OE1-CZ 3.3Å; E358-R413 IonicContact OE1-NE 2.77Å; E358-R413 PolarHBondContact OE1-NE 3.29Å; E358-R413 IonicContact OE1-NH2 3.69Å; E358-R413 PolarHBondContact OE1-NH2 2.98Å; E358-R413 IonicContact OE2-NH2 2.88Å; R413-E415 PolarHBondContact O-N 3.34Å; R413-E415 VanDerWaalsContact O-N 3.17Å; R413-E494 IonicContact NH1-OE1 3.65Å; R413-E494 PolarHBondContact NH1-OE1 2.93Å; R413-L497 WeakPolarHBondContact CB-O 3.45Å; R413-L497 PolarHBondContact N-O 3.06Å; R413-S498 PolarHBondContact NH1-OG 3.17Å
414	S	57.2	Low	61.7	Low	49 Å²	49	62.5 Å²	62.5	34%	0.343	36%	0.359	S	S	.	.			trans	-58.6	119	167.9	-168.6	0	0	0	0	109.5	I412 I416	I412-S414 PolarHBondContact O-N 3.09Å; S414-I416 PolarHBondContact O-N 3Å; S414-I416 VanDerWaalsContact O-N 3.14Å
415	E	57.8	Low	62.2	Low	177 Å²	177	59 Å²	59	83%	0.827	33%	0.328	S	S	*	.			trans	-64.1	110.9	172	-72.2	-166.8	154.2	0	0	109.3	R413 S417	R413-E415 PolarHBondContact O-N 3.34Å; R413-E415 VanDerWaalsContact O-N 3.17Å; E415-S417 PolarHBondContact O-N 3.4Å
416	I	57.6	Low	63	Low	10 Å²	10	59.6 Å²	59.6	5%	0.051	33%	0.33	C	S	.	.			trans	-84.4	114	-176.7	-65.5	167.8	0	0	0	108.8	V48 W356 E357 S414 V420 L425	V48-I416 HydrophobicContact CG2-CB 3.6Å; V48-I416 HydrophobicContact CG2-CG2 3.51Å; V48-I416 WeakPolarHBondContact CG2-O 3.49Å; W356-I416 HydrophobicContact CB-CD1 3.7Å; E357-I416 HydrophobicContact CB-CD1 4.42Å; E357-I416 HydrophobicContact CG-CB 3.96Å; E357-I416 HydrophobicContact CG-CD1 3.56Å; E357-I416 HydrophobicContact CG-CG1 3.73Å; E357-I416 PolarHBondContact OE1-N 3.42Å; E357-I416 VanDerWaalsContact OE1-N 3.08Å; S414-I416 PolarHBondContact O-N 3Å; S414-I416 VanDerWaalsContact O-N 3.14Å; I416-V420 HydrophobicContact CG2-CB 4.38Å; I416-L425 HydrophobicContact CD1-CD1 3.44Å; I416-L425 VanDerWaalsContact CD1-CD1 3.44Å; I416-L425 HydrophobicContact CG1-CD1 3.88Å
417	S	64.8	Low	63.7	Low	58 Å²	58	60.7 Å²	60.7	41%	0.406	33%	0.334	S	S	.	.			trans	-70.3	141.9	155.8	73.6	0	0	0	0	108.7	E415 S419 V420	E415-S417 PolarHBondContact O-N 3.4Å; S417-S419 PolarHBondContact O-N 3.27Å; S417-S419 PolarHBondContact OG-OG 2.89Å; S417-V420 PolarHBondContact O-N 3.05Å
418	S	61.8	Low	64.7	Low	59 Å²	59	56.6 Å²	56.6	41%	0.413	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.4	-177.7	55.6	0	0	0	0	113.9	V48 T129 Y131 V420	V48-S418 VanDerWaalsContact O-CB 3.28Å; V48-S418 WeakPolarHBondContact O-CB 3.38Å; T129-S418 WeakPolarHBondContact CG2-O 3.36Å; Y131-S418 PolarHBondContact OH-O 2.94Å; S418-V420 VanDerWaalsContact C-N 3.29Å; S418-V420 PolarHBondContact O-N 3.09Å
419	S	66.7	Low	66	Low	87 Å²	87	52.9 Å²	52.9	61%	0.608	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.6	171.3	38.3	0	0	0	0	116	S417	S417-S419 PolarHBondContact O-N 3.27Å; S417-S419 PolarHBondContact OG-OG 2.89Å
420	V	78.8	Confident	67.7	Low	54 Å²	54	44.9 Å²	44.9	33%	0.327	26%	0.256	S	S	.	.	S	Bend	trans	-97.4	130.4	173.5	173.3	0	0	0	0	108.8	Y131 I416 S417 S418 P422	Y131-V420 PolarHBondContact OH-O 3.46Å; I416-V420 HydrophobicContact CG2-CB 4.38Å; S417-V420 PolarHBondContact O-N 3.05Å; S418-V420 VanDerWaalsContact C-N 3.29Å; S418-V420 PolarHBondContact O-N 3.09Å; V420-P422 WeakPolarHBondContact O-CD 3.36Å
421	N	81.6	Confident	69.2	Low	43 Å²	43	43.6 Å²	43.6	23%	0.23	25%	0.249	C	C	.	.			trans	-77.9	120.5	174.9	-178.1	-28.2	0	0	0	109.4	Y131 S423 T424	Y131-N421 HydrophobicContact CD1-CB 3.74Å; Y131-N421 HydrophobicContact CE1-CB 4.14Å; Y131-N421 HydrophobicContact CG-CB 4.36Å; N421-S423 PolarHBondContact O-N 2.87Å; N421-S423 VanDerWaalsContact OD1-CB 3.3Å; N421-S423 WeakPolarHBondContact OD1-CB 3.49Å; N421-S423 PolarHBondContact OD1-N 3.2Å; N421-S423 PolarHBondContact OD1-OG 2.87Å; N421-T424 PolarHBondContact O-N 3.13Å; N421-T424 PolarHBondContact O-OG1 3.22Å; N421-T424 VanDerWaalsContact O-OG1 3.08Å
422	P	82.8	Confident	70.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-51.5	-24.8	180	-30.7	36.6	0	0	0	115.5	A49 V187 W356 V420 T424 L425	A49-P422 HydrophobicContact CB-CG 3.46Å; A49-P422 VanDerWaalsContact CB-CG 3.46Å; V187-P422 HydrophobicContact CG1-CG 4.19Å; V187-P422 HydrophobicContact CG2-CG 4.08Å; W356-P422 HydrophobicContact CB-CB 3.81Å; W356-P422 HydrophobicContact CB-CG 4.1Å; W356-P422 HydrophobicContact CD2-CB 4.25Å; W356-P422 HydrophobicContact CG-CB 3.72Å; W356-P422 HydrophobicContact CG-CG 3.9Å; V420-P422 WeakPolarHBondContact O-CD 3.36Å; P422-T424 PolarHBondContact O-N 3.32Å; P422-T424 VanDerWaalsContact O-N 3.08Å; P422-L425 VanDerWaalsContact O-CB 3.24Å; P422-L425 WeakPolarHBondContact O-CB 3.45Å; P422-L425 WeakPolarHBondContact O-CG 3.49Å; P422-L425 PolarHBondContact O-N 2.98Å
423	S	80.4	Confident	72.3	Confident	33 Å²	33	41.7 Å²	41.7	23%	0.231	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62.4	-16	178.9	-42.3	0	0	0	0	113.6	N421	N421-S423 PolarHBondContact O-N 2.87Å; N421-S423 VanDerWaalsContact OD1-CB 3.3Å; N421-S423 WeakPolarHBondContact OD1-CB 3.49Å; N421-S423 PolarHBondContact OD1-N 3.2Å; N421-S423 PolarHBondContact OD1-OG 2.87Å
424	T	73.9	Confident	74.1	Confident	92 Å²	92	40.2 Å²	40.2	56%	0.564	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-78.1	-7.8	172.5	64.5	0	0	0	0	113.5	N421 P422 N427	N421-T424 PolarHBondContact O-N 3.13Å; N421-T424 PolarHBondContact O-OG1 3.22Å; N421-T424 VanDerWaalsContact O-OG1 3.08Å; P422-T424 PolarHBondContact O-N 3.32Å; P422-T424 VanDerWaalsContact O-N 3.08Å; T424-N427 PolarHBondContact O-ND2 2.95Å
425	L	71.4	Confident	75.6	Confident	15 Å²	15	38.7 Å²	38.7	8%	0.079	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-87.8	-8.9	176.7	-54.9	172.8	0	0	0	112.4	M359 I416 P422 N427 T430	M359-L425 VanDerWaalsContact CE-C 3.41Å; M359-L425 HydrophobicContact CE-CB 3.76Å; M359-L425 VanDerWaalsContact CE-O 3.22Å; M359-L425 WeakPolarHBondContact CE-O 3.46Å; I416-L425 HydrophobicContact CD1-CD1 3.44Å; I416-L425 VanDerWaalsContact CD1-CD1 3.44Å; I416-L425 HydrophobicContact CG1-CD1 3.88Å; P422-L425 VanDerWaalsContact O-CB 3.24Å; P422-L425 WeakPolarHBondContact O-CB 3.45Å; P422-L425 WeakPolarHBondContact O-CG 3.49Å; P422-L425 PolarHBondContact O-N 2.98Å; L425-N427 PolarHBondContact O-N 3.11Å; L425-T430 PolarHBondContact O-OG1 3.43Å; L425-T430 VanDerWaalsContact O-OG1 3.07Å
426	M	72.4	Confident	77.2	Confident	45 Å²	45	30.3 Å²	30.3	22%	0.222	18%	0.181	C	C	.	.			trans	-74.1	74	170.4	-66.3	-169.9	-58.4	0	0	109.4	H185 I312 M359	H185-M426 PolarHBondContact CE1-SD 2.87Å; H185-M426 PolarHBondContact ND1-SD 3.37Å; I312-M426 HydrophobicContact CG2-CE 4.36Å; M359-M426 HydrophobicContact CE-CG 3.93Å
427	N	73.1	Confident	78.8	Confident	48 Å²	48	29.8 Å²	29.8	26%	0.257	18%	0.178	S	C	.	.	S	Bend	trans	-136.6	162.9	-178.8	70.5	58.1	0	0	0	110.4	T424 L425 F429 T430 Y431	T424-N427 PolarHBondContact O-ND2 2.95Å; L425-N427 PolarHBondContact O-N 3.11Å; N427-F429 PolarHBondContact O-N 3.04Å; N427-F429 WeakPolarHBondContact OD1-CB 3.29Å; N427-F429 PolarHBondContact OD1-N 2.96Å; N427-T430 PolarHBondContact O-N 2.96Å; N427-T430 VanDerWaalsContact O-N 3.09Å; N427-Y431 WeakPolarHBondContact O-CD2 3.5Å
428	L	72.3	Confident	80.2	Confident	20 Å²	20	27.1 Å²	27.1	11%	0.105	16%	0.159	C	C	.	.	H	α-helix	trans	-56.2	-24.9	-171.6	-167.1	68.3	0	0	0	114.4	H398 I401 L402 E432	H398-L428 HydrophobicContact CB-CD1 4.28Å; I401-L428 HydrophobicContact CB-CD2 3.84Å; I401-L428 HydrophobicContact CG2-CD2 3.5Å; I401-L428 VanDerWaalsContact CG2-CD2 3.5Å; L402-L428 HydrophobicContact CB-CD2 4.4Å; L428-E432 HydrophobicContact CD1-CG 3.57Å; L428-E432 HydrophobicContact CG-CG 3.77Å; L428-E432 WeakPolarHBondContact O-CB 3.48Å; L428-E432 PolarHBondContact O-N 3.44Å
429	F	75.9	Confident	81.6	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.026	14%	0.144	C	C	.	.	I	π-helix	trans	-68.3	-40.7	179	-65.7	-102.1	0	0	0	112.1	L402 L405 E410 N427 Y431 K433	L402-F429 HydrophobicContact CD1-CB 4.07Å; L402-F429 HydrophobicContact CD1-CD1 3.34Å; L402-F429 HydrophobicContact CD1-CD2 4.15Å; L402-F429 HydrophobicContact CD1-CE1 3.7Å; L402-F429 HydrophobicContact CD1-CE2 4.44Å; L402-F429 HydrophobicContact CD1-CG 3.58Å; L402-F429 HydrophobicContact CD1-CZ 4.24Å; L402-F429 HydrophobicContact CG-CD1 4.45Å; L405-F429 HydrophobicContact CB-CE2 4.21Å; L405-F429 HydrophobicContact CB-CZ 4.04Å; E410-F429 HydrophobicContact CB-CD1 4.07Å; E410-F429 HydrophobicContact CB-CD2 4.39Å; E410-F429 HydrophobicContact CB-CE1 3.94Å; E410-F429 HydrophobicContact CB-CE2 4.28Å; E410-F429 HydrophobicContact CB-CG 4.31Å; E410-F429 HydrophobicContact CB-CZ 4.06Å; E410-F429 VanDerWaalsContact OE2-CD2 3.28Å; E410-F429 WeakPolarHBondContact OE2-CD2 3.44Å; E410-F429 WeakPolarHBondContact OE2-CE2 3.3Å; N427-F429 PolarHBondContact O-N 3.04Å; N427-F429 WeakPolarHBondContact OD1-CB 3.29Å; N427-F429 PolarHBondContact OD1-N 2.96Å; F429-Y431 VanDerWaalsContact C-N 3.3Å; F429-Y431 PolarHBondContact O-N 3.01Å; F429-K433 HydrophobicContact CD1-CD 4.32Å; F429-K433 WeakPolarHBondContact O-CA 3.44Å; F429-K433 WeakPolarHBondContact O-CB 3.44Å; F429-K433 PolarHBondContact O-N 3.32Å
430	T	81.7	Confident	82.8	Confident	6 Å²	6	20.8 Å²	20.8	4%	0.037	12%	0.115	C	C	.	.	I	π-helix	trans	-65.4	-34.5	-179.6	-57	0	0	0	0	112.2	M359 W360 E363 L425 N427	M359-T430 HydrophobicContact CB-CG2 4.26Å; M359-T430 HydrophobicContact CE-CG2 3.93Å; M359-T430 HydrophobicContact CG-CG2 4.37Å; W360-T430 HydrophobicContact CB-CG2 4Å; E363-T430 HydrophobicContact CB-CG2 4.23Å; E363-T430 HydrophobicContact CG-CG2 4.04Å; L425-T430 PolarHBondContact O-OG1 3.43Å; L425-T430 VanDerWaalsContact O-OG1 3.07Å; N427-T430 PolarHBondContact O-N 2.96Å; N427-T430 VanDerWaalsContact O-N 3.09Å
431	Y	85.5	Confident	83.6	Confident	41 Å²	41	18.4 Å²	18.4	16%	0.161	10%	0.1	C	C	.	.	I	π-helix	trans	-76.2	-65.1	174.4	-64.3	-97.9	0	0	0	111.4	H340 E363 N427 F429 F435 A713	H340-Y431 AromaticContact CE1-CD1 3.85Å; H340-Y431 AromaticContact NE2-CE1 3.93Å; E363-Y431 HydrophobicContact CB-CD1 3.71Å; E363-Y431 HydrophobicContact CB-CD2 4.36Å; E363-Y431 HydrophobicContact CB-CE1 3.64Å; E363-Y431 HydrophobicContact CB-CE2 4.34Å; E363-Y431 HydrophobicContact CB-CG 4.03Å; E363-Y431 HydrophobicContact CG-CD1 4.4Å; E363-Y431 HydrophobicContact CG-CE1 3.86Å; E363-Y431 HydrophobicContact CG-CE2 4.15Å; E363-Y431 WeakPolarHBondContact OE2-CE1 3.31Å; E363-Y431 PolarHBondContact OE2-OH 3.36Å; N427-Y431 WeakPolarHBondContact O-CD2 3.5Å; F429-Y431 VanDerWaalsContact C-N 3.3Å; F429-Y431 PolarHBondContact O-N 3.01Å; Y431-F435 WeakPolarHBondContact O-CB 3.28Å; Y431-F435 PolarHBondContact O-N 3.03Å; Y431-A713 HydrophobicContact CE1-CB 4.45Å
432	E	85.7	Confident	84.1	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-76.3	-39	-167.5	-64.1	-62.9	160.1	0	0	113.7	R371 H398 L399 L402 L428 G434 F435 C436	R371-E432 IonicContact CZ-OE1 3.76Å; R371-E432 IonicContact CZ-OE2 3.66Å; R371-E432 IonicContact NH1-OE1 3.98Å; R371-E432 IonicContact NH1-OE2 2.93Å; R371-E432 PolarHBondContact NH1-OE2 2.86Å; R371-E432 VanDerWaalsContact NH2-CD 3.32Å; R371-E432 IonicContact NH2-OE1 3.73Å; R371-E432 PolarHBondContact NH2-OE1 3.14Å; R371-E432 IonicContact NH2-OE2 3.58Å; R371-E432 PolarHBondContact NH2-OE2 3Å; H398-E432 VanDerWaalsContact CB-CD 3.5Å; H398-E432 HydrophobicContact CB-CG 3.96Å; H398-E432 WeakPolarHBondContact CB-OE1 3.31Å; H398-E432 IonicContact CG-OE1 3.61Å; H398-E432 IonicContact ND1-OE1 3.83Å; H398-E432 PolarHBondContact ND1-OE1 2.98Å; L399-E432 HydrophobicContact CD2-CB 4.19Å; L402-E432 HydrophobicContact CB-CB 4.39Å; L402-E432 HydrophobicContact CD1-CB 4.31Å; L402-E432 HydrophobicContact CD2-CB 3.81Å; L402-E432 HydrophobicContact CG-CB 4.4Å; L428-E432 HydrophobicContact CD1-CG 3.57Å; L428-E432 HydrophobicContact CG-CG 3.77Å; L428-E432 WeakPolarHBondContact O-CB 3.48Å; L428-E432 PolarHBondContact O-N 3.44Å; E432-G434 VanDerWaalsContact C-N 3.35Å; E432-F435 WeakPolarHBondContact O-CB 3.34Å; E432-F435 PolarHBondContact O-N 2.63Å; E432-C436 PolarHBondContact O-N 2.85Å; E432-C436 PolarHBondContact O-SG 3.18Å
433	K	85.1	Confident	84.6	Confident	1 Å²	1	23 Å²	23	0%	0.004	12%	0.122	C	C	.	.	I	π-helix	trans	-73.3	-33.8	178.6	-153.8	178.1	155.3	-179	0	110.4	L402 E410 I412 F429 C436 F437 G499 G501 P503	L402-K433 HydrophobicContact CD1-CB 4.46Å; L402-K433 HydrophobicContact CD2-CB 4.17Å; E410-K433 PolarHBondContact O-NZ 3.41Å; I412-K433 HydrophobicContact CD1-CB 4.07Å; I412-K433 HydrophobicContact CD1-CD 4.08Å; I412-K433 HydrophobicContact CD1-CG 3.73Å; I412-K433 HydrophobicContact CG1-CB 4.07Å; I412-K433 HydrophobicContact CG1-CD 3.6Å; I412-K433 HydrophobicContact CG1-CG 3.8Å; F429-K433 HydrophobicContact CD1-CD 4.32Å; F429-K433 WeakPolarHBondContact O-CA 3.44Å; F429-K433 WeakPolarHBondContact O-CB 3.44Å; F429-K433 PolarHBondContact O-N 3.32Å; K433-C436 PolarHBondContact O-N 2.8Å; K433-F437 PolarHBondContact O-N 3.31Å; K433-F437 VanDerWaalsContact O-N 3.13Å; K433-G499 PolarHBondContact NZ-O 3.08Å; K433-G501 WeakPolarHBondContact CE-O 3.4Å; K433-G501 PolarHBondContact NZ-O 3.47Å; K433-P503 HydrophobicContact CG-CB 4.12Å
434	G	89.3	Confident	85.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-48.8	166.8	0	0	0	0	0	112.2	E432 C436 F437 V438	E432-G434 VanDerWaalsContact C-N 3.35Å; G434-C436 PolarHBondContact O-N 2.97Å; G434-F437 PolarHBondContact O-N 3.45Å; G434-F437 VanDerWaalsContact O-N 3.14Å; G434-V438 WeakPolarHBondContact O-CG2 3.48Å; G434-V438 PolarHBondContact O-N 3.17Å
435	F	90.1	Very high	86.1	Confident	18 Å²	18	18.9 Å²	18.9	8%	0.079	10%	0.095	C	C	.	.	H	α-helix	trans	-55.8	-44.3	173.3	163.3	-102.8	0	0	0	113	T367 Y368 R371 L399 Y431 E432 F437 V438 S439 P507	T367-F435 HydrophobicContact CG2-CB 3.71Å; T367-F435 HydrophobicContact CG2-CD2 4.22Å; T367-F435 HydrophobicContact CG2-CG 4.03Å; Y368-F435 HydrophobicContact CD2-CD2 4.08Å; Y368-F435 AromaticContact CD2-CE2 3.9Å; Y368-F435 HydrophobicContact CD2-CE2 3.9Å; Y368-F435 HydrophobicContact CG-CD2 4.49Å; R371-F435 HydrophobicContact CB-CE2 4.28Å; R371-F435 HydrophobicContact CG-CE2 4.34Å; R371-F435 VanDerWaalsContact NH1-CE1 3.27Å; L399-F435 HydrophobicContact CD1-CE1 4.22Å; L399-F435 HydrophobicContact CD2-CD1 4.47Å; Y431-F435 WeakPolarHBondContact O-CB 3.28Å; Y431-F435 PolarHBondContact O-N 3.03Å; E432-F435 WeakPolarHBondContact O-CB 3.34Å; E432-F435 PolarHBondContact O-N 2.63Å; F435-F437 VanDerWaalsContact C-N 3.32Å; F435-F437 PolarHBondContact O-N 2.85Å; F435-V438 PolarHBondContact O-N 3.21Å; F435-S439 WeakPolarHBondContact CE2-OG 3.15Å; F435-S439 VanDerWaalsContact CZ-OG 3.27Å; F435-S439 WeakPolarHBondContact CZ-OG 3.49Å; F435-S439 VanDerWaalsContact O-CB 3.31Å; F435-S439 WeakPolarHBondContact O-CB 3.49Å; F435-S439 PolarHBondContact O-N 2.86Å; F435-S439 PolarHBondContact O-OG 3.2Å; F435-P507 HydrophobicContact CE1-CG 3.8Å; F435-P507 HydrophobicContact CZ-CG 4.28Å
436	C	90	Very high	87	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-39.2	176.3	-77.4	0	0	0	0	112.2	L399 E432 K433 G434 S439 Y440 W496 P503	L399-C436 WeakPolarHBondContact CD2-SG 3.43Å; E432-C436 PolarHBondContact O-N 2.85Å; E432-C436 PolarHBondContact O-SG 3.18Å; K433-C436 PolarHBondContact O-N 2.8Å; G434-C436 PolarHBondContact O-N 2.97Å; C436-S439 PolarHBondContact O-N 2.77Å; C436-Y440 WeakPolarHBondContact O-CB 3.4Å; C436-Y440 PolarHBondContact O-N 2.82Å; C436-W496 HydrophobicContact CB-CH2 4.11Å; C436-W496 HydrophobicContact CB-CZ3 3.83Å; C436-P503 HydrophobicContact CB-CB 3.73Å; C436-P503 HydrophobicContact CB-CG 4.24Å
437	F	92.2	Very high	87.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.3	-45.8	176.3	-175.4	-139.2	0	0	0	111.7	W360 K433 G434 F435 S439 Y440 L441 I470 F493 W496 L497	W360-F437 AromaticContact CH2-CD1 3.56Å; W360-F437 HydrophobicContact CH2-CD1 3.56Å; W360-F437 AromaticContact CH2-CE1 3.67Å; W360-F437 HydrophobicContact CH2-CE1 3.67Å; W360-F437 HydrophobicContact CZ2-CD1 4.38Å; W360-F437 HydrophobicContact CZ2-CE1 4.34Å; W360-F437 AromaticContact CZ3-CD1 3.64Å; W360-F437 HydrophobicContact CZ3-CD1 3.64Å; W360-F437 HydrophobicContact CZ3-CE1 4.23Å; K433-F437 PolarHBondContact O-N 3.31Å; K433-F437 VanDerWaalsContact O-N 3.13Å; G434-F437 PolarHBondContact O-N 3.45Å; G434-F437 VanDerWaalsContact O-N 3.14Å; F435-F437 VanDerWaalsContact C-N 3.32Å; F435-F437 PolarHBondContact O-N 2.85Å; F437-S439 VanDerWaalsContact C-N 3.29Å; F437-S439 PolarHBondContact O-N 3.08Å; F437-Y440 HydrophobicContact CD2-CD1 4.38Å; F437-Y440 WeakPolarHBondContact O-CB 3.2Å; F437-Y440 PolarHBondContact O-N 2.98Å; F437-L441 HydrophobicContact CD2-CG 4.43Å; F437-L441 HydrophobicContact CE1-CD1 4.29Å; F437-L441 HydrophobicContact CE2-CD1 4.45Å; F437-L441 HydrophobicContact CE2-CD2 4.03Å; F437-L441 HydrophobicContact CE2-CG 4.15Å; F437-L441 HydrophobicContact CZ-CD1 4.19Å; F437-L441 HydrophobicContact CZ-CD2 4.23Å; F437-L441 HydrophobicContact CZ-CG 4.36Å; F437-L441 WeakPolarHBondContact O-CG 3.34Å; F437-L441 PolarHBondContact O-N 2.74Å; F437-I470 HydrophobicContact CE1-CD1 4.44Å; F437-I470 HydrophobicContact CZ-CD1 4.24Å; F437-I470 HydrophobicContact CZ-CG1 4.46Å; F437-F493 AromaticContact CE2-CD1 3.92Å; F437-F493 HydrophobicContact CE2-CD1 3.92Å; F437-F493 HydrophobicContact CE2-CE1 4.27Å; F437-F493 HydrophobicContact CE2-CG 4.16Å; F437-F493 HydrophobicContact CZ-CB 4.3Å; F437-F493 HydrophobicContact CZ-CD1 4.29Å; F437-F493 HydrophobicContact CZ-CD2 4.33Å; F437-F493 HydrophobicContact CZ-CG 4.06Å; F437-W496 HydrophobicContact CB-CD2 4.04Å; F437-W496 HydrophobicContact CB-CE3 3.53Å; F437-W496 HydrophobicContact CB-CZ3 3.9Å; F437-W496 HydrophobicContact CD1-CB 4.49Å; F437-W496 HydrophobicContact CD2-CB 3.8Å; F437-W496 AromaticContact CD2-CD1 3.84Å; F437-W496 AromaticContact CD2-CD2 3.49Å; F437-W496 HydrophobicContact CD2-CD2 3.49Å; F437-W496 VanDerWaalsContact CD2-CD2 3.49Å; F437-W496 AromaticContact CD2-CE2 3.9Å; F437-W496 AromaticContact CD2-CE3 3.94Å; F437-W496 HydrophobicContact CD2-CE3 3.94Å; F437-W496 AromaticContact CD2-CG 3.43Å; F437-W496 HydrophobicContact CD2-CG 3.43Å; F437-W496 VanDerWaalsContact CD2-CG 3.43Å; F437-W496 HydrophobicContact CE2-CB 4Å; F437-W496 AromaticContact CE2-CD1 3.87Å; F437-W496 HydrophobicContact CE2-CD2 4.29Å; F437-W496 AromaticContact CE2-CG 3.79Å; F437-W496 HydrophobicContact CE2-CG 3.79Å; F437-W496 HydrophobicContact CG-CB 4.08Å; F437-W496 HydrophobicContact CG-CD2 4.02Å; F437-W496 HydrophobicContact CG-CE3 4.03Å; F437-W496 HydrophobicContact CG-CG 4.09Å; F437-W496 HydrophobicContact CZ-CB 4.44Å; F437-L497 HydrophobicContact CE1-CD2 4.22Å
438	V	93.4	Very high	88.7	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-38.6	176	-179.8	0	0	0	0	111.1	W360 L365 Y368 G434 F435 L441 S442 F451	W360-V438 HydrophobicContact CZ3-CG2 4.38Å; L365-V438 HydrophobicContact CD2-CB 4.36Å; L365-V438 HydrophobicContact CD2-CG1 3.73Å; L365-V438 HydrophobicContact CD2-CG2 3.6Å; L365-V438 HydrophobicContact CG-CG2 4.11Å; Y368-V438 HydrophobicContact CD1-CG1 3.7Å; Y368-V438 HydrophobicContact CD2-CB 4.17Å; Y368-V438 HydrophobicContact CD2-CG1 3.63Å; Y368-V438 HydrophobicContact CE1-CG1 4.27Å; Y368-V438 HydrophobicContact CE2-CG1 4.2Å; Y368-V438 HydrophobicContact CG-CB 4.14Å; Y368-V438 HydrophobicContact CG-CG1 3.35Å; G434-V438 WeakPolarHBondContact O-CG2 3.48Å; G434-V438 PolarHBondContact O-N 3.17Å; F435-V438 PolarHBondContact O-N 3.21Å; V438-L441 PolarHBondContact O-N 3.31Å; V438-S442 PolarHBondContact O-N 2.58Å; V438-F451 HydrophobicContact CG1-CE1 3.84Å; V438-F451 HydrophobicContact CG1-CZ 3.92Å
439	S	91.6	Very high	89.6	Confident	12 Å²	12	31.4 Å²	31.4	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-39.9	175	-59.1	0	0	0	0	112.4	F435 C436 F437 S442 E443	F435-S439 WeakPolarHBondContact CE2-OG 3.15Å; F435-S439 VanDerWaalsContact CZ-OG 3.27Å; F435-S439 WeakPolarHBondContact CZ-OG 3.49Å; F435-S439 VanDerWaalsContact O-CB 3.31Å; F435-S439 WeakPolarHBondContact O-CB 3.49Å; F435-S439 PolarHBondContact O-N 2.86Å; F435-S439 PolarHBondContact O-OG 3.2Å; C436-S439 PolarHBondContact O-N 2.77Å; F437-S439 VanDerWaalsContact C-N 3.29Å; F437-S439 PolarHBondContact O-N 3.08Å; S439-S442 WeakPolarHBondContact O-CB 3.29Å; S439-S442 PolarHBondContact O-N 3.14Å; S439-E443 PolarHBondContact O-N 3.05Å
440	Y	92.8	Very high	90.5	Very high	2 Å²	2	35 Å²	35	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-40.4	173.1	176.3	-125.8	0	0	0	111.9	C436 F437 S442 E443 L444 L491 F493 W496 F505	C436-Y440 WeakPolarHBondContact O-CB 3.4Å; C436-Y440 PolarHBondContact O-N 2.82Å; F437-Y440 HydrophobicContact CD2-CD1 4.38Å; F437-Y440 WeakPolarHBondContact O-CB 3.2Å; F437-Y440 PolarHBondContact O-N 2.98Å; Y440-S442 VanDerWaalsContact C-N 3.29Å; Y440-S442 PolarHBondContact O-N 2.95Å; Y440-E443 PolarHBondContact O-N 3.36Å; Y440-L444 HydrophobicContact CD1-CD1 4.19Å; Y440-L444 HydrophobicContact CD2-CD1 4.46Å; Y440-L444 HydrophobicContact CD2-CG 4.22Å; Y440-L444 HydrophobicContact CE1-CD1 3.75Å; Y440-L444 HydrophobicContact CE1-CG 4.45Å; Y440-L444 HydrophobicContact CE2-CD1 4.03Å; Y440-L444 HydrophobicContact CE2-CD2 3.96Å; Y440-L444 HydrophobicContact CE2-CG 3.82Å; Y440-L444 WeakPolarHBondContact O-CB 3.22Å; Y440-L444 VanDerWaalsContact O-CG 3.32Å; Y440-L444 WeakPolarHBondContact O-CG 3.47Å; Y440-L444 PolarHBondContact O-N 3.32Å; Y440-L491 HydrophobicContact CE1-CB 4.24Å; Y440-L491 HydrophobicContact CE2-CD1 4.16Å; Y440-L491 WeakPolarHBondContact OH-CB 3.23Å; Y440-F493 HydrophobicContact CE1-CE1 4Å; Y440-W496 AromaticContact CD1-CE2 3.78Å; Y440-W496 AromaticContact CD1-CZ2 3.72Å; Y440-W496 HydrophobicContact CD1-CZ2 3.72Å; Y440-W496 AromaticContact CD1-NE1 3.56Å; Y440-W496 HydrophobicContact CE1-CZ2 4.48Å; Y440-W496 AromaticContact CE1-NE1 3.7Å; Y440-W496 AromaticContact CG-CZ2 3.91Å; Y440-W496 HydrophobicContact CG-CZ2 3.91Å; Y440-F505 HydrophobicContact CD2-CB 4.37Å; Y440-F505 HydrophobicContact CD2-CD1 4.43Å; Y440-F505 HydrophobicContact CD2-CD2 4.32Å; Y440-F505 HydrophobicContact CD2-CG 4.15Å; Y440-F505 HydrophobicContact CG-CD1 4.5Å; Y440-F505 HydrophobicContact CG-CG 4.5Å
441	L	94.3	Very high	91.1	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-35.5	171.9	-63.2	178.8	0	0	0	112.2	F437 V438 L444 S445 F451 F473 F493	F437-L441 HydrophobicContact CD2-CG 4.43Å; F437-L441 HydrophobicContact CE1-CD1 4.29Å; F437-L441 HydrophobicContact CE2-CD1 4.45Å; F437-L441 HydrophobicContact CE2-CD2 4.03Å; F437-L441 HydrophobicContact CE2-CG 4.15Å; F437-L441 HydrophobicContact CZ-CD1 4.19Å; F437-L441 HydrophobicContact CZ-CD2 4.23Å; F437-L441 HydrophobicContact CZ-CG 4.36Å; F437-L441 WeakPolarHBondContact O-CG 3.34Å; F437-L441 PolarHBondContact O-N 2.74Å; V438-L441 PolarHBondContact O-N 3.31Å; L441-L444 HydrophobicContact CD2-CD1 4.45Å; L441-S445 PolarHBondContact O-N 2.92Å; L441-F451 HydrophobicContact CB-CE2 3.72Å; L441-F451 HydrophobicContact CB-CZ 3.93Å; L441-F473 HydrophobicContact CB-CD2 4.45Å; L441-F473 HydrophobicContact CB-CE2 3.94Å; L441-F473 HydrophobicContact CB-CZ 4.1Å; L441-F473 HydrophobicContact CD2-CD1 4.05Å; L441-F473 HydrophobicContact CD2-CE1 3.78Å; L441-F473 HydrophobicContact CD2-CE2 4.37Å; L441-F473 HydrophobicContact CD2-CG 4.46Å; L441-F473 HydrophobicContact CD2-CZ 3.95Å; L441-F473 WeakPolarHBondContact O-CZ 3.23Å; L441-F493 HydrophobicContact CD2-CE1 4.01Å; L441-F493 HydrophobicContact CD2-CE2 3.9Å; L441-F493 HydrophobicContact CD2-CZ 3.46Å; L441-F493 VanDerWaalsContact CD2-CZ 3.46Å
442	S	93.3	Very high	91.4	Very high	16 Å²	16	33.3 Å²	33.3	11%	0.112	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-43.1	173.2	-173.7	0	0	0	0	112.3	Y368 V438 S439 Y440 S445	Y368-S442 WeakPolarHBondContact OH-CB 3.37Å; Y368-S442 PolarHBondContact OH-OG 2.83Å; V438-S442 PolarHBondContact O-N 2.58Å; S439-S442 WeakPolarHBondContact O-CB 3.29Å; S439-S442 PolarHBondContact O-N 3.14Å; Y440-S442 VanDerWaalsContact C-N 3.29Å; Y440-S442 PolarHBondContact O-N 2.95Å; S442-S445 WeakPolarHBondContact O-CB 3.22Å; S442-S445 PolarHBondContact O-N 2.83Å; S442-S445 PolarHBondContact O-OG 2.65Å
443	E	92.3	Very high	91.8	Very high	123 Å²	123	35.9 Å²	35.9	58%	0.575	19%	0.193	S	C	*	.	H	α-helix	trans	-64.4	-45.7	175.9	-175.8	176.9	116.2	0	0	111.2	S439 Y440 S445 G446 F505	S439-E443 PolarHBondContact O-N 3.05Å; Y440-E443 PolarHBondContact O-N 3.36Å; E443-S445 PolarHBondContact O-N 2.8Å; E443-S445 VanDerWaalsContact O-N 3.12Å; E443-G446 PolarHBondContact O-N 3.16Å; E443-F505 VanDerWaalsContact OE2-CE2 3.3Å; E443-F505 WeakPolarHBondContact OE2-CE2 3.36Å; E443-F505 WeakPolarHBondContact OE2-CZ 3.39Å
444	L	93.1	Very high	92.2	Very high	28 Å²	28	36 Å²	36	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-29	176.7	-74.4	176.2	0	0	0	112.9	Y440 L441 G446 F473 L480 V485 F493	Y440-L444 HydrophobicContact CD1-CD1 4.19Å; Y440-L444 HydrophobicContact CD2-CD1 4.46Å; Y440-L444 HydrophobicContact CD2-CG 4.22Å; Y440-L444 HydrophobicContact CE1-CD1 3.75Å; Y440-L444 HydrophobicContact CE1-CG 4.45Å; Y440-L444 HydrophobicContact CE2-CD1 4.03Å; Y440-L444 HydrophobicContact CE2-CD2 3.96Å; Y440-L444 HydrophobicContact CE2-CG 3.82Å; Y440-L444 WeakPolarHBondContact O-CB 3.22Å; Y440-L444 VanDerWaalsContact O-CG 3.32Å; Y440-L444 WeakPolarHBondContact O-CG 3.47Å; Y440-L444 PolarHBondContact O-N 3.32Å; L441-L444 HydrophobicContact CD2-CD1 4.45Å; L444-G446 VanDerWaalsContact C-N 3.25Å; L444-G446 PolarHBondContact O-N 2.92Å; L444-F473 HydrophobicContact CB-CZ 4.35Å; L444-L480 HydrophobicContact CB-CD1 4.03Å; L444-L480 WeakPolarHBondContact O-CD1 3.45Å; L444-L480 WeakPolarHBondContact O-CD2 3.32Å; L444-V485 HydrophobicContact CD1-CB 4.33Å; L444-V485 HydrophobicContact CD1-CG2 4.09Å; L444-V485 HydrophobicContact CD2-CB 4.46Å; L444-V485 HydrophobicContact CD2-CG1 4.35Å; L444-F493 HydrophobicContact CD1-CE1 4.05Å; L444-F493 HydrophobicContact CD1-CZ 4.08Å
445	S	92.1	Very high	92.3	Very high	11 Å²	11	36.4 Å²	36.4	8%	0.077	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.8	177.7	82.6	0	0	0	0	114.5	L441 S442 E443 D447	L441-S445 PolarHBondContact O-N 2.92Å; S442-S445 WeakPolarHBondContact O-CB 3.22Å; S442-S445 PolarHBondContact O-N 2.83Å; S442-S445 PolarHBondContact O-OG 2.65Å; E443-S445 PolarHBondContact O-N 2.8Å; E443-S445 VanDerWaalsContact O-N 3.12Å; S445-D447 PolarHBondContact O-N 3.11Å; S445-D447 VanDerWaalsContact O-N 3.12Å; S445-D447 PolarHBondContact OG-N 2.84Å; S445-D447 PolarHBondContact OG-O 2.84Å
446	G	90.1	Very high	92.2	Very high	74 Å²	74	39.6 Å²	39.6	76%	0.763	21%	0.21	S	C	*	.	S	Bend	trans	71.3	-12.4	-176.7	0	0	0	0	0	116.3	E443 L444	E443-G446 PolarHBondContact O-N 3.16Å; L444-G446 VanDerWaalsContact C-N 3.25Å; L444-G446 PolarHBondContact O-N 2.92Å
447	D	91.4	Very high	91.3	Very high	75 Å²	75	40.2 Å²	40.2	40%	0.401	21%	0.214	S	C	.	.			trans	-146.9	111.1	177.2	174	11.6	0	0	0	110.2	S445 R449 R450 F451	S445-D447 PolarHBondContact O-N 3.11Å; S445-D447 VanDerWaalsContact O-N 3.12Å; S445-D447 PolarHBondContact OG-N 2.84Å; S445-D447 PolarHBondContact OG-O 2.84Å; D447-R449 PolarHBondContact O-N 3Å; D447-R449 VanDerWaalsContact O-N 3.14Å; D447-R449 WeakPolarHBondContact OD1-CB 3.29Å; D447-R449 PolarHBondContact OD1-N 2.76Å; D447-R450 HydrophobicContact CB-CB 4.02Å; D447-R450 WeakPolarHBondContact O-CA 3.23Å; D447-R450 WeakPolarHBondContact O-CB 3.19Å; D447-R450 PolarHBondContact O-N 3.31Å; D447-F451 PolarHBondContact O-N 3.09Å
448	V	90.6	Very high	90.7	Very high	57 Å²	57	46.1 Å²	46.1	35%	0.345	24%	0.242	S	C	.	.	H	α-helix	trans	-54.6	-33.4	178.7	68.5	0	0	0	0	112.4	R450 F451 D452	V448-R450 VanDerWaalsContact C-N 3.33Å; V448-R450 PolarHBondContact O-N 2.86Å; V448-F451 CarbonylContact O-C 3.58Å; V448-F451 WeakPolarHBondContact O-CB 3.45Å; V448-F451 PolarHBondContact O-N 2.99Å; V448-F451 VanDerWaalsContact O-N 3.16Å; V448-D452 PolarHBondContact O-N 3.14Å
449	R	91.8	Very high	90.5	Very high	185 Å²	185	47.5 Å²	47.5	70%	0.698	25%	0.248	S	C	*	.	H	α-helix	trans	-72.5	-29.4	179.5	-62.6	178.9	173.6	176.5	-1.3	112.3	D447 S453	D447-R449 PolarHBondContact O-N 3Å; D447-R449 VanDerWaalsContact O-N 3.14Å; D447-R449 WeakPolarHBondContact OD1-CB 3.29Å; D447-R449 PolarHBondContact OD1-N 2.76Å; R449-S453 WeakPolarHBondContact O-CB 3.37Å; R449-S453 PolarHBondContact O-N 2.9Å; R449-S453 VanDerWaalsContact O-N 3.08Å; R449-S453 PolarHBondContact O-OG 2.73Å
450	R	93.4	Very high	90.5	Very high	83 Å²	83	50.2 Å²	50.2	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-74.6	-32.7	170.7	-170.2	177.4	166.3	-156	-4.7	111.1	D447 V448 S453 F454 Y476 F477 E479	D447-R450 HydrophobicContact CB-CB 4.02Å; D447-R450 WeakPolarHBondContact O-CA 3.23Å; D447-R450 WeakPolarHBondContact O-CB 3.19Å; D447-R450 PolarHBondContact O-N 3.31Å; V448-R450 VanDerWaalsContact C-N 3.33Å; V448-R450 PolarHBondContact O-N 2.86Å; R450-S453 PolarHBondContact O-N 2.84Å; R450-F454 PolarHBondContact O-N 2.89Å; R450-Y476 HydrophobicContact CG-CE1 4.26Å; R450-F477 HydrophobicContact CG-CE1 3.76Å; R450-F477 HydrophobicContact CG-CZ 4.14Å; R450-F477 VanDerWaalsContact CZ-CD1 3.46Å; R450-E479 IonicContact CZ-OE1 2.71Å; R450-E479 IonicContact NH1-OE1 3.18Å; R450-E479 PolarHBondContact NH1-OE1 3.03Å; R450-E479 IonicContact NH2-OE1 3.33Å; R450-E479 PolarHBondContact NH2-OE1 2.88Å; R450-E479 IonicContact NH2-OE2 3.47Å; R450-E479 PolarHBondContact NH2-OE2 3.07Å
451	F	94.8	Very high	90.5	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-69.5	-46	171.2	-167	-105.3	0	0	0	112.9	Y368 V438 L441 D447 V448 S453 F454 L455 F473	Y368-F451 HydrophobicContact CD1-CE1 4.41Å; Y368-F451 AromaticContact CE1-CD1 3.94Å; Y368-F451 HydrophobicContact CE1-CD1 3.94Å; Y368-F451 AromaticContact CE1-CE1 3.72Å; Y368-F451 HydrophobicContact CE1-CE1 3.72Å; Y368-F451 HydrophobicContact CE2-CE1 4.43Å; Y368-F451 AromaticContact CZ-CD1 3.83Å; Y368-F451 AromaticContact CZ-CE1 3.74Å; Y368-F451 WeakPolarHBondContact OH-CD1 3.35Å; V438-F451 HydrophobicContact CG1-CE1 3.84Å; V438-F451 HydrophobicContact CG1-CZ 3.92Å; L441-F451 HydrophobicContact CB-CE2 3.72Å; L441-F451 HydrophobicContact CB-CZ 3.93Å; D447-F451 PolarHBondContact O-N 3.09Å; V448-F451 CarbonylContact O-C 3.58Å; V448-F451 WeakPolarHBondContact O-CB 3.45Å; V448-F451 PolarHBondContact O-N 2.99Å; V448-F451 VanDerWaalsContact O-N 3.16Å; F451-S453 PolarHBondContact O-N 2.84Å; F451-F454 AromaticContact CD2-CD1 3.81Å; F451-F454 HydrophobicContact CD2-CD1 3.81Å; F451-F454 HydrophobicContact CD2-CE1 4.33Å; F451-F454 AromaticContact CE2-CD1 3.63Å; F451-F454 HydrophobicContact CE2-CD1 3.63Å; F451-F454 AromaticContact CE2-CE1 3.69Å; F451-F454 HydrophobicContact CE2-CE1 3.69Å; F451-F454 HydrophobicContact CG-CD1 4.48Å; F451-F454 HydrophobicContact CZ-CD1 4.18Å; F451-F454 HydrophobicContact CZ-CE1 4.07Å; F451-F454 WeakPolarHBondContact O-CA 3.36Å; F451-F454 VanDerWaalsContact O-CB 3.3Å; F451-F454 WeakPolarHBondContact O-CB 3.43Å; F451-F454 PolarHBondContact O-N 3.18Å; F451-L455 HydrophobicContact CD1-CD1 3.97Å; F451-L455 HydrophobicContact CD1-CG 4.25Å; F451-L455 HydrophobicContact CE1-CD1 3.79Å; F451-L455 HydrophobicContact CE1-CD2 4.2Å; F451-L455 HydrophobicContact CE1-CG 4.04Å; F451-L455 HydrophobicContact CZ-CD2 4.34Å; F451-L455 PolarHBondContact O-N 3.04Å; F451-F473 HydrophobicContact CD2-CE2 4.17Å; F451-F473 HydrophobicContact CE2-CD2 4.19Å; F451-F473 AromaticContact CE2-CE2 3.86Å; F451-F473 HydrophobicContact CE2-CE2 3.86Å
452	D	93.1	Very high	90.5	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-55	-39.7	171.4	-62	-37.9	0	0	0	110.3	L292 R372 V448 F454 L455	L292-D452 HydrophobicContact CD2-CB 4.21Å; R372-D452 IonicContact CZ-OD1 3.21Å; R372-D452 IonicContact CZ-OD2 2.95Å; R372-D452 IonicContact NE-OD1 2.79Å; R372-D452 PolarHBondContact NE-OD1 2.85Å; R372-D452 IonicContact NE-OD2 2.68Å; R372-D452 IonicContact NH2-OD1 2.77Å; R372-D452 IonicContact NH2-OD2 3.67Å; R372-D452 PolarHBondContact NH2-OD2 3.39Å; V448-D452 PolarHBondContact O-N 3.14Å; D452-F454 VanDerWaalsContact C-N 3.35Å; D452-F454 PolarHBondContact O-N 3.27Å; D452-L455 PolarHBondContact O-N 2.91Å
453	S	92.6	Very high	90.5	Very high	54 Å²	54	58.1 Å²	58.1	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-68.9	-26.5	175.1	-61	0	0	0	0	114.4	R449 R450 F451 Y476	R449-S453 WeakPolarHBondContact O-CB 3.37Å; R449-S453 PolarHBondContact O-N 2.9Å; R449-S453 VanDerWaalsContact O-N 3.08Å; R449-S453 PolarHBondContact O-OG 2.73Å; R450-S453 PolarHBondContact O-N 2.84Å; F451-S453 PolarHBondContact O-N 2.84Å; S453-Y476 PolarHBondContact O-OH 3.39Å
454	F	93.1	Very high	90.6	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-74	-36.8	170.6	151.5	-95	0	0	0	111.5	R450 F451 D452 K456 L469 Y472 F473 Y476 F477	R450-F454 PolarHBondContact O-N 2.89Å; F451-F454 AromaticContact CD2-CD1 3.81Å; F451-F454 HydrophobicContact CD2-CD1 3.81Å; F451-F454 HydrophobicContact CD2-CE1 4.33Å; F451-F454 AromaticContact CE2-CD1 3.63Å; F451-F454 HydrophobicContact CE2-CD1 3.63Å; F451-F454 AromaticContact CE2-CE1 3.69Å; F451-F454 HydrophobicContact CE2-CE1 3.69Å; F451-F454 HydrophobicContact CG-CD1 4.48Å; F451-F454 HydrophobicContact CZ-CD1 4.18Å; F451-F454 HydrophobicContact CZ-CE1 4.07Å; F451-F454 WeakPolarHBondContact O-CA 3.36Å; F451-F454 VanDerWaalsContact O-CB 3.3Å; F451-F454 WeakPolarHBondContact O-CB 3.43Å; F451-F454 PolarHBondContact O-N 3.18Å; D452-F454 VanDerWaalsContact C-N 3.35Å; D452-F454 PolarHBondContact O-N 3.27Å; F454-K456 PolarHBondContact O-N 3.14Å; F454-L469 HydrophobicContact CE1-CD1 4.43Å; F454-L469 HydrophobicContact CZ-CD1 3.82Å; F454-Y472 AromaticContact CD2-CD1 3.84Å; F454-Y472 HydrophobicContact CD2-CD1 3.84Å; F454-Y472 AromaticContact CD2-CE1 3.67Å; F454-Y472 HydrophobicContact CD2-CE1 3.67Å; F454-Y472 AromaticContact CE2-CD1 3.25Å; F454-Y472 HydrophobicContact CE2-CD1 3.25Å; F454-Y472 AromaticContact CE2-CE1 3.59Å; F454-Y472 HydrophobicContact CE2-CE1 3.59Å; F454-Y472 HydrophobicContact CE2-CG 4.2Å; F454-Y472 HydrophobicContact CZ-CD1 4.05Å; F454-Y472 HydrophobicContact CZ-CE1 4.5Å; F454-F473 HydrophobicContact CD1-CD2 4.46Å; F454-F473 HydrophobicContact CE1-CD2 4.02Å; F454-F473 VanDerWaalsContact CE2-CA 3.43Å; F454-F473 HydrophobicContact CE2-CB 3.81Å; F454-F473 HydrophobicContact CE2-CD2 4.08Å; F454-F473 HydrophobicContact CE2-CG 4.46Å; F454-F473 HydrophobicContact CZ-CB 3.77Å; F454-F473 AromaticContact CZ-CD2 3.82Å; F454-F473 HydrophobicContact CZ-CD2 3.82Å; F454-F473 HydrophobicContact CZ-CG 4.3Å; F454-Y476 HydrophobicContact CB-CD1 3.93Å; F454-Y476 HydrophobicContact CB-CD2 4.31Å; F454-Y476 HydrophobicContact CB-CE1 3.79Å; F454-Y476 HydrophobicContact CB-CE2 4.17Å; F454-Y476 HydrophobicContact CB-CG 4.19Å; F454-Y476 HydrophobicContact CD2-CD1 4.35Å; F454-Y476 HydrophobicContact CD2-CD2 4.12Å; F454-Y476 AromaticContact CD2-CG 3.91Å; F454-Y476 HydrophobicContact CD2-CG 3.91Å; F454-F477 HydrophobicContact CB-CE2 3.89Å; F454-F477 HydrophobicContact CB-CZ 4.15Å; F454-F477 HydrophobicContact CD2-CE2 4.13Å; F454-F477 AromaticContact CG-CE2 3.93Å; F454-F477 HydrophobicContact CG-CE2 3.93Å
455	L	92.3	Very high	90.5	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-14.4	178.3	-69.1	177.6	0	0	0	113.9	F293 F347 L365 Y368 F451 D452 S457	F293-L455 HydrophobicContact CD1-CB 4.03Å; F293-L455 HydrophobicContact CD1-CD1 4.4Å; F293-L455 HydrophobicContact CE1-CB 4.27Å; F293-L455 HydrophobicContact CE1-CD1 3.82Å; F347-L455 HydrophobicContact CE1-CB 4.43Å; F347-L455 HydrophobicContact CE1-CD2 4.3Å; F347-L455 HydrophobicContact CZ-CB 4.11Å; L365-L455 HydrophobicContact CD2-CD2 3.9Å; Y368-L455 HydrophobicContact CD1-CD1 3.96Å; Y368-L455 HydrophobicContact CE1-CD1 3.69Å; F451-L455 HydrophobicContact CD1-CD1 3.97Å; F451-L455 HydrophobicContact CD1-CG 4.25Å; F451-L455 HydrophobicContact CE1-CD1 3.79Å; F451-L455 HydrophobicContact CE1-CD2 4.2Å; F451-L455 HydrophobicContact CE1-CG 4.04Å; F451-L455 HydrophobicContact CZ-CD2 4.34Å; F451-L455 PolarHBondContact O-N 3.04Å; D452-L455 PolarHBondContact O-N 2.91Å; L455-S457 PolarHBondContact O-N 3.14Å
456	K	88.7	Confident	90.5	Very high	85 Å²	85	51.8 Å²	51.8	37%	0.37	27%	0.266	S	S	.	.	S	Bend	trans	-71.2	34.9	171.9	-58.6	-172.8	177.8	-178	0	113.6	D291 L292 F454	D291-K456 PolarHBondContact O-NZ 3.1Å; L292-K456 WeakPolarHBondContact O-CE 3.43Å; F454-K456 PolarHBondContact O-N 3.14Å
457	S	71.4	Confident	90.6	Very high	14 Å²	14	51.9 Å²	51.9	10%	0.098	25%	0.247	C	C	.	.			trans	-63.2	165.1	-155.5	74.5	0	0	0	0	117.1	L455 F459 K460	L455-S457 PolarHBondContact O-N 3.14Å; S457-F459 VanDerWaalsContact C-N 3.3Å; S457-F459 PolarHBondContact O-N 3.08Å; S457-K460 WeakPolarHBondContact O-CE 3.41Å
458	E	78.3	Confident	90.6	Very high	124 Å²	124	49.7 Å²	49.7	58%	0.579	24%	0.235	S	C	*	.	S	Bend	trans	-75.5	-10.8	-179.7	-59.7	-177.7	134	0	0	114	K460 Q462 Y472 R475	E458-K460 PolarHBondContact O-N 2.97Å; E458-K460 VanDerWaalsContact O-N 3.09Å; E458-Q462 PolarHBondContact O-NE2 3.17Å; E458-Y472 HydrophobicContact CB-CE2 4.49Å; E458-Y472 HydrophobicContact CG-CE2 4.06Å; E458-R475 IonicContact OE2-CZ 3.6Å; E458-R475 IonicContact OE2-NH2 3.54Å; E458-R475 PolarHBondContact OE2-NH2 2.75Å
459	F	89.8	Confident	90.7	Very high	29 Å²	29	47.8 Å²	47.8	13%	0.127	22%	0.223	C	C	.	.			trans	-79.7	14.6	-171.1	-61.9	-66.2	0	0	0	115.1	V351 S457 F461 Q462 V464 D468 Y472	V351-F459 HydrophobicContact CB-CB 4.47Å; V351-F459 HydrophobicContact CG1-CB 3.76Å; V351-F459 HydrophobicContact CG2-CB 3.91Å; S457-F459 VanDerWaalsContact C-N 3.3Å; S457-F459 PolarHBondContact O-N 3.08Å; F459-F461 PolarHBondContact O-N 3.12Å; F459-Q462 VanDerWaalsContact O-CB 3.28Å; F459-Q462 WeakPolarHBondContact O-CB 3.34Å; F459-Q462 PolarHBondContact O-N 3.34Å; F459-V464 HydrophobicContact CB-CG1 4.04Å; F459-V464 HydrophobicContact CD1-CG1 3.6Å; F459-V464 HydrophobicContact CD2-CG1 4.48Å; F459-V464 HydrophobicContact CE1-CG1 4.11Å; F459-V464 HydrophobicContact CG-CG1 3.81Å; F459-D468 HydrophobicContact CE1-CB 4.25Å; F459-D468 HydrophobicContact CZ-CB 4.07Å; F459-Y472 AromaticContact CE2-CD1 3.87Å; F459-Y472 HydrophobicContact CE2-CD1 3.87Å; F459-Y472 HydrophobicContact CE2-CD2 4.23Å; F459-Y472 AromaticContact CE2-CG 3.67Å; F459-Y472 HydrophobicContact CE2-CG 3.67Å; F459-Y472 HydrophobicContact CZ-CD2 4.44Å; F459-Y472 HydrophobicContact CZ-CG 4.14Å
460	K	91.2	Very high	90.8	Very high	69 Å²	69	40 Å²	40	30%	0.3	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	129.9	-175.5	-66	178	-179.6	-173	0	111	L297 S457 E458 Q462	L297-K460 HydrophobicContact CD1-CD 4.42Å; S457-K460 WeakPolarHBondContact O-CE 3.41Å; E458-K460 PolarHBondContact O-N 2.97Å; E458-K460 VanDerWaalsContact O-N 3.09Å; K460-Q462 VanDerWaalsContact C-N 3.27Å; K460-Q462 PolarHBondContact O-N 3.01Å
461	F	92.7	Very high	90.8	Very high	60 Å²	60	38.7 Å²	38.7	26%	0.263	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	23.2	-174.6	-54.2	-59.4	0	0	0	115.4	F239 P240 L297 W298 A350 F459	F239-F461 HydrophobicContact CB-CE1 3.79Å; F239-F461 HydrophobicContact CB-CZ 4.18Å; F239-F461 AromaticContact CD1-CE1 3.9Å; F239-F461 HydrophobicContact CD1-CE1 3.9Å; F239-F461 HydrophobicContact CD1-CE2 4.06Å; F239-F461 AromaticContact CD1-CZ 3.38Å; F239-F461 HydrophobicContact CD1-CZ 3.38Å; F239-F461 HydrophobicContact CE1-CZ 4.04Å; F239-F461 HydrophobicContact CG-CE1 4.11Å; F239-F461 HydrophobicContact CG-CZ 4Å; P240-F461 HydrophobicContact CG-CB 3.81Å; P240-F461 HydrophobicContact CG-CD1 3.98Å; P240-F461 HydrophobicContact CG-CG 4.01Å; L297-F461 HydrophobicContact CB-CZ 4.24Å; L297-F461 HydrophobicContact CD1-CE1 4.38Å; L297-F461 HydrophobicContact CD1-CE2 3.75Å; L297-F461 HydrophobicContact CD1-CZ 3.47Å; L297-F461 VanDerWaalsContact CD1-CZ 3.47Å; L297-F461 HydrophobicContact CG-CZ 4.48Å; W298-F461 HydrophobicContact CH2-CD1 4.46Å; W298-F461 AromaticContact CH2-CE1 3.82Å; W298-F461 HydrophobicContact CH2-CE1 3.82Å; W298-F461 HydrophobicContact CZ2-CE1 4.4Å; W298-F461 HydrophobicContact CZ3-CE1 4.14Å; A350-F461 VanDerWaalsContact O-CA 3.3Å; A350-F461 WeakPolarHBondContact O-CA 3.18Å; A350-F461 PolarHBondContact O-N 2.87Å; F459-F461 PolarHBondContact O-N 3.12Å
462	Q	93.7	Very high	90.7	Very high	96 Å²	96	39.7 Å²	39.7	45%	0.449	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	166.9	172.7	-54.4	175.5	51.3	0	0	110.6	K202 T352 E458 F459 K460	K202-Q462 WeakPolarHBondContact CE-O 3.26Å; K202-Q462 PolarHBondContact NZ-O 2.87Å; K202-Q462 VanDerWaalsContact NZ-O 3.11Å; T352-Q462 PolarHBondContact N-O 3.37Å; E458-Q462 PolarHBondContact O-NE2 3.17Å; F459-Q462 VanDerWaalsContact O-CB 3.28Å; F459-Q462 WeakPolarHBondContact O-CB 3.34Å; F459-Q462 PolarHBondContact O-N 3.34Å; K460-Q462 VanDerWaalsContact C-N 3.27Å; K460-Q462 PolarHBondContact O-N 3.01Å
463	S	94.4	Very high	90.8	Very high	31 Å²	31	39.3 Å²	39.3	22%	0.217	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.7	169.4	-50	0	0	0	0	108.5	P199 K202 T352	P199-S463 WeakPolarHBondContact O-CB 3.13Å; P199-S463 PolarHBondContact O-OG 2.98Å; K202-S463 VanDerWaalsContact CE-OG 3.31Å; K202-S463 WeakPolarHBondContact CE-OG 3.34Å; T352-S463 CarbonylContact O-C 3.53Å; T352-S463 VanDerWaalsContact O-CA 3.22Å; T352-S463 WeakPolarHBondContact O-CA 3.39Å
464	V	93.4	Very high	90.9	Very high	8 Å²	8	37.7 Å²	37.7	5%	0.048	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.1	-164.3	-67.3	0	0	0	0	113	V351 T352 N353 A354 L361 F459 D468	V351-V464 HydrophobicContact CG1-CG1 4.42Å; V351-V464 HydrophobicContact CG1-CG2 3.61Å; T352-V464 WeakPolarHBondContact O-CG2 3.31Å; T352-V464 PolarHBondContact O-N 3.16Å; N353-V464 CarbonylContact C-O 3.58Å; A354-V464 VanDerWaalsContact CB-O 3.29Å; A354-V464 WeakPolarHBondContact CB-O 3.46Å; A354-V464 PolarHBondContact N-O 3.46Å; L361-V464 HydrophobicContact CD1-CG2 4.35Å; L361-V464 WeakPolarHBondContact CD1-O 3.45Å; F459-V464 HydrophobicContact CB-CG1 4.04Å; F459-V464 HydrophobicContact CD1-CG1 3.6Å; F459-V464 HydrophobicContact CD2-CG1 4.48Å; F459-V464 HydrophobicContact CE1-CG1 4.11Å; F459-V464 HydrophobicContact CG-CG1 3.81Å; V464-D468 HydrophobicContact CB-CB 4.01Å; V464-D468 HydrophobicContact CG1-CB 4.22Å
465	V	92.7	Very high	91	Very high	21 Å²	21	45 Å²	45	13%	0.127	22%	0.218	C	C	.	.			trans	-109.1	167.6	169.8	-61.6	0	0	0	0	111.5	L45 A354 E358 Q467 D468 L469	L45-V465 HydrophobicContact CD1-CG1 3.41Å; L45-V465 VanDerWaalsContact CD1-CG1 3.41Å; A354-V465 HydrophobicContact CB-CG1 3.9Å; E358-V465 HydrophobicContact CG-CB 4.29Å; E358-V465 HydrophobicContact CG-CG1 4.3Å; V465-Q467 HydrophobicContact CG2-CB 4.49Å; V465-Q467 PolarHBondContact O-N 3.16Å; V465-Q467 VanDerWaalsContact O-N 3.1Å; V465-D468 WeakPolarHBondContact CG2-OD2 3.19Å; V465-D468 PolarHBondContact N-OD2 2.97Å; V465-D468 VanDerWaalsContact N-OD2 3.16Å; V465-D468 WeakPolarHBondContact O-CB 3.38Å; V465-D468 PolarHBondContact O-N 3.49Å; V465-L469 PolarHBondContact O-N 2.93Å
466	A	91	Very high	91.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-51.2	-39.4	-179.3	0	0	0	0	0	113.4	E358 W360 D468 L469 I470 L497	E358-A466 WeakPolarHBondContact OE2-CB 3.12Å; E358-A466 PolarHBondContact OE2-N 2.94Å; W360-A466 HydrophobicContact CZ2-CB 3.77Å; A466-D468 VanDerWaalsContact C-N 3.28Å; A466-D468 PolarHBondContact O-N 3.46Å; A466-L469 PolarHBondContact O-N 3.5Å; A466-I470 WeakPolarHBondContact O-CB 3.29Å; A466-I470 WeakPolarHBondContact O-CG1 3.43Å; A466-I470 PolarHBondContact O-N 2.86Å; A466-L497 HydrophobicContact CB-CD1 3.73Å; A466-L497 HydrophobicContact CB-CD2 3.62Å; A466-L497 HydrophobicContact CB-CG 4.34Å
467	Q	91.6	Very high	91.4	Very high	76 Å²	76	44.2 Å²	44.2	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-72.2	-16	-179.5	-61.7	81.6	6.4	0	0	113.6	V465 A471	V465-Q467 HydrophobicContact CG2-CB 4.49Å; V465-Q467 PolarHBondContact O-N 3.16Å; V465-Q467 VanDerWaalsContact O-N 3.1Å; Q467-A471 WeakPolarHBondContact O-CB 3.44Å; Q467-A471 PolarHBondContact O-N 3.46Å
468	D	92.8	Very high	92.4	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	23%	0.229	C	C	.	.	H	α-helix	trans	-72.4	-49.1	166.1	-71.4	-57	0	0	0	110.6	R42 F459 V464 V465 A466 A471 Y472	R42-D468 IonicContact CZ-OD1 2.77Å; R42-D468 IonicContact CZ-OD2 2.73Å; R42-D468 IonicContact NH1-OD1 2.74Å; R42-D468 PolarHBondContact NH1-OD1 2.95Å; R42-D468 IonicContact NH1-OD2 3.57Å; R42-D468 PolarHBondContact NH1-OD2 2.87Å; R42-D468 IonicContact NH2-OD1 3.23Å; R42-D468 PolarHBondContact NH2-OD1 3.24Å; R42-D468 IonicContact NH2-OD2 3.55Å; F459-D468 HydrophobicContact CE1-CB 4.25Å; F459-D468 HydrophobicContact CZ-CB 4.07Å; V464-D468 HydrophobicContact CB-CB 4.01Å; V464-D468 HydrophobicContact CG1-CB 4.22Å; V465-D468 WeakPolarHBondContact CG2-OD2 3.19Å; V465-D468 PolarHBondContact N-OD2 2.97Å; V465-D468 VanDerWaalsContact N-OD2 3.16Å; V465-D468 WeakPolarHBondContact O-CB 3.38Å; V465-D468 PolarHBondContact O-N 3.49Å; A466-D468 VanDerWaalsContact C-N 3.28Å; A466-D468 PolarHBondContact O-N 3.46Å; D468-A471 PolarHBondContact O-N 2.97Å; D468-Y472 VanDerWaalsContact O-CB 3.32Å; D468-Y472 WeakPolarHBondContact O-CB 3.42Å; D468-Y472 PolarHBondContact O-N 3.21Å
469	L	92.3	Very high	93.2	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-45.6	179.1	-178.3	64.3	0	0	0	111.6	W360 L361 L365 F454 V465 A466 Y472 F473	W360-L469 HydrophobicContact CH2-CD2 4.08Å; L361-L469 HydrophobicContact CD2-CB 4.33Å; L361-L469 HydrophobicContact CD2-CD2 3.64Å; L365-L469 HydrophobicContact CD1-CD2 4.23Å; F454-L469 HydrophobicContact CE1-CD1 4.43Å; F454-L469 HydrophobicContact CZ-CD1 3.82Å; V465-L469 PolarHBondContact O-N 2.93Å; A466-L469 PolarHBondContact O-N 3.5Å; L469-Y472 PolarHBondContact O-N 3.44Å; L469-F473 WeakPolarHBondContact O-CB 3.21Å; L469-F473 PolarHBondContact O-N 2.61Å
470	I	92.9	Very high	93.3	Very high	22 Å²	22	44.3 Å²	44.3	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-42.3	178.4	-73.1	166.2	0	0	0	111.6	F437 A466 Y472 F473 L474 F493 L497	F437-I470 HydrophobicContact CE1-CD1 4.44Å; F437-I470 HydrophobicContact CZ-CD1 4.24Å; F437-I470 HydrophobicContact CZ-CG1 4.46Å; A466-I470 WeakPolarHBondContact O-CB 3.29Å; A466-I470 WeakPolarHBondContact O-CG1 3.43Å; A466-I470 PolarHBondContact O-N 2.86Å; I470-Y472 VanDerWaalsContact C-N 3.32Å; I470-Y472 PolarHBondContact O-N 2.82Å; I470-F473 PolarHBondContact O-N 3.26Å; I470-L474 HydrophobicContact CG2-CD1 4.01Å; I470-L474 WeakPolarHBondContact O-CG 3.18Å; I470-L474 PolarHBondContact O-N 3.28Å; I470-F493 HydrophobicContact CB-CD2 4.49Å; I470-F493 HydrophobicContact CD1-CB 4.13Å; I470-F493 HydrophobicContact CD1-CD2 4.02Å; I470-F493 HydrophobicContact CG1-CD2 3.95Å; I470-F493 HydrophobicContact CG2-CD2 3.76Å; I470-F493 HydrophobicContact CG2-CE2 4.21Å; I470-L497 HydrophobicContact CD1-CD1 3.75Å
471	A	93.4	Very high	93.3	Very high	56 Å²	56	46.4 Å²	46.4	46%	0.463	23%	0.229	S	C	.	.	H	α-helix	trans	-66.1	-35.7	175.9	0	0	0	0	0	111.9	Q467 D468 R475	Q467-A471 WeakPolarHBondContact O-CB 3.44Å; Q467-A471 PolarHBondContact O-N 3.46Å; D468-A471 PolarHBondContact O-N 2.97Å; A471-R475 WeakPolarHBondContact O-CB 3.44Å; A471-R475 PolarHBondContact O-N 3.38Å; A471-R475 VanDerWaalsContact O-N 3.16Å
472	Y	94	Very high	93.3	Very high	22 Å²	22	50.5 Å²	50.5	9%	0.086	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-43.4	174	-176.3	-115.4	0	0	0	112	F454 E458 F459 D468 L469 I470 R475 Y476	F454-Y472 AromaticContact CD2-CD1 3.84Å; F454-Y472 HydrophobicContact CD2-CD1 3.84Å; F454-Y472 AromaticContact CD2-CE1 3.67Å; F454-Y472 HydrophobicContact CD2-CE1 3.67Å; F454-Y472 AromaticContact CE2-CD1 3.25Å; F454-Y472 HydrophobicContact CE2-CD1 3.25Å; F454-Y472 AromaticContact CE2-CE1 3.59Å; F454-Y472 HydrophobicContact CE2-CE1 3.59Å; F454-Y472 HydrophobicContact CE2-CG 4.2Å; F454-Y472 HydrophobicContact CZ-CD1 4.05Å; F454-Y472 HydrophobicContact CZ-CE1 4.5Å; E458-Y472 HydrophobicContact CB-CE2 4.49Å; E458-Y472 HydrophobicContact CG-CE2 4.06Å; F459-Y472 AromaticContact CE2-CD1 3.87Å; F459-Y472 HydrophobicContact CE2-CD1 3.87Å; F459-Y472 HydrophobicContact CE2-CD2 4.23Å; F459-Y472 AromaticContact CE2-CG 3.67Å; F459-Y472 HydrophobicContact CE2-CG 3.67Å; F459-Y472 HydrophobicContact CZ-CD2 4.44Å; F459-Y472 HydrophobicContact CZ-CG 4.14Å; D468-Y472 VanDerWaalsContact O-CB 3.32Å; D468-Y472 WeakPolarHBondContact O-CB 3.42Å; D468-Y472 PolarHBondContact O-N 3.21Å; L469-Y472 PolarHBondContact O-N 3.44Å; I470-Y472 VanDerWaalsContact C-N 3.32Å; I470-Y472 PolarHBondContact O-N 2.82Å; Y472-R475 VanDerWaalsContact CD2-NH2 3.33Å; Y472-R475 VanDerWaalsContact CE2-NH2 3.32Å; Y472-R475 PolarHBondContact O-N 3.48Å; Y472-Y476 WeakPolarHBondContact O-CB 3.37Å; Y472-Y476 PolarHBondContact O-N 3.13Å
473	F	94.6	Very high	93.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-54.8	176.5	178.7	-99.7	0	0	0	111.8	L441 L444 F451 F454 L469 I470 R475 Y476 F477 L480 F493	L441-F473 HydrophobicContact CB-CD2 4.45Å; L441-F473 HydrophobicContact CB-CE2 3.94Å; L441-F473 HydrophobicContact CB-CZ 4.1Å; L441-F473 HydrophobicContact CD2-CD1 4.05Å; L441-F473 HydrophobicContact CD2-CE1 3.78Å; L441-F473 HydrophobicContact CD2-CE2 4.37Å; L441-F473 HydrophobicContact CD2-CG 4.46Å; L441-F473 HydrophobicContact CD2-CZ 3.95Å; L441-F473 WeakPolarHBondContact O-CZ 3.23Å; L444-F473 HydrophobicContact CB-CZ 4.35Å; F451-F473 HydrophobicContact CD2-CE2 4.17Å; F451-F473 HydrophobicContact CE2-CD2 4.19Å; F451-F473 AromaticContact CE2-CE2 3.86Å; F451-F473 HydrophobicContact CE2-CE2 3.86Å; F454-F473 HydrophobicContact CD1-CD2 4.46Å; F454-F473 HydrophobicContact CE1-CD2 4.02Å; F454-F473 VanDerWaalsContact CE2-CA 3.43Å; F454-F473 HydrophobicContact CE2-CB 3.81Å; F454-F473 HydrophobicContact CE2-CD2 4.08Å; F454-F473 HydrophobicContact CE2-CG 4.46Å; F454-F473 HydrophobicContact CZ-CB 3.77Å; F454-F473 AromaticContact CZ-CD2 3.82Å; F454-F473 HydrophobicContact CZ-CD2 3.82Å; F454-F473 HydrophobicContact CZ-CG 4.3Å; L469-F473 WeakPolarHBondContact O-CB 3.21Å; L469-F473 PolarHBondContact O-N 2.61Å; I470-F473 PolarHBondContact O-N 3.26Å; F473-R475 PolarHBondContact O-N 2.82Å; F473-Y476 PolarHBondContact O-N 3.43Å; F473-F477 AromaticContact CD2-CD2 3.62Å; F473-F477 HydrophobicContact CD2-CD2 3.62Å; F473-F477 AromaticContact CD2-CE2 3.75Å; F473-F477 HydrophobicContact CD2-CE2 3.75Å; F473-F477 AromaticContact CE2-CD2 3.53Å; F473-F477 HydrophobicContact CE2-CD2 3.53Å; F473-F477 AromaticContact CE2-CE2 3.62Å; F473-F477 HydrophobicContact CE2-CE2 3.62Å; F473-F477 HydrophobicContact CE2-CG 4.42Å; F473-F477 HydrophobicContact CG-CD2 4.24Å; F473-F477 HydrophobicContact CZ-CD2 4.09Å; F473-F477 WeakPolarHBondContact O-CD2 3.19Å; F473-F477 PolarHBondContact O-N 2.89Å; F473-L480 HydrophobicContact CE1-CD1 3.7Å; F473-L480 HydrophobicContact CZ-CD1 3.52Å; F473-F493 HydrophobicContact CD1-CE2 4.38Å; F473-F493 HydrophobicContact CE1-CZ 4.31Å
474	L	94.9	Very high	93.1	Very high	21 Å²	21	49.8 Å²	49.8	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-30.4	179.7	-65.3	174.7	0	0	0	112.4	I470 F477 Q481 V485 F493	I470-L474 HydrophobicContact CG2-CD1 4.01Å; I470-L474 WeakPolarHBondContact O-CG 3.18Å; I470-L474 PolarHBondContact O-N 3.28Å; L474-F477 CarbonylContact O-C 3.31Å; L474-F477 VanDerWaalsContact O-C 3.31Å; L474-Q481 HydrophobicContact CB-CB 4.16Å; L474-Q481 HydrophobicContact CB-CG 4.37Å; L474-Q481 HydrophobicContact CD2-CB 4.43Å; L474-Q481 PolarHBondContact O-OE1 3.43Å; L474-V485 HydrophobicContact CD2-CG2 4.15Å; L474-F493 HydrophobicContact CD2-CE2 4.5Å
475	R	94.7	Very high	92.9	Very high	155 Å²	155	50 Å²	50	59%	0.585	27%	0.268	S	S	*	.	H	α-helix	trans	-73.4	-27.8	173.5	-168.6	-174.3	74.3	170.7	9.6	113.4	E458 A471 Y472 F473	E458-R475 IonicContact OE2-CZ 3.6Å; E458-R475 IonicContact OE2-NH2 3.54Å; E458-R475 PolarHBondContact OE2-NH2 2.75Å; A471-R475 WeakPolarHBondContact O-CB 3.44Å; A471-R475 PolarHBondContact O-N 3.38Å; A471-R475 VanDerWaalsContact O-N 3.16Å; Y472-R475 VanDerWaalsContact CD2-NH2 3.33Å; Y472-R475 VanDerWaalsContact CE2-NH2 3.32Å; Y472-R475 PolarHBondContact O-N 3.48Å; F473-R475 PolarHBondContact O-N 2.82Å
476	Y	94.6	Very high	92.7	Very high	78 Å²	78	50.4 Å²	50.4	31%	0.306	27%	0.272	S	S	.	.	H	α-helix	trans	-84.2	-29.2	177.3	-164	-77.9	0	0	0	112.2	R450 S453 F454 Y472 F473 P478	R450-Y476 HydrophobicContact CG-CE1 4.26Å; S453-Y476 PolarHBondContact O-OH 3.39Å; F454-Y476 HydrophobicContact CB-CD1 3.93Å; F454-Y476 HydrophobicContact CB-CD2 4.31Å; F454-Y476 HydrophobicContact CB-CE1 3.79Å; F454-Y476 HydrophobicContact CB-CE2 4.17Å; F454-Y476 HydrophobicContact CB-CG 4.19Å; F454-Y476 HydrophobicContact CD2-CD1 4.35Å; F454-Y476 HydrophobicContact CD2-CD2 4.12Å; F454-Y476 AromaticContact CD2-CG 3.91Å; F454-Y476 HydrophobicContact CD2-CG 3.91Å; Y472-Y476 WeakPolarHBondContact O-CB 3.37Å; Y472-Y476 PolarHBondContact O-N 3.13Å; F473-Y476 PolarHBondContact O-N 3.43Å; Y476-P478 VanDerWaalsContact C-CD 3.43Å; Y476-P478 WeakPolarHBondContact O-CD 3.3Å
477	F	94.7	Very high	92.6	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.			trans	-119.8	68.1	177.6	-59.9	-85.5	0	0	0	110.4	R450 F454 F473 L474 E479 L480 Q481	R450-F477 HydrophobicContact CG-CE1 3.76Å; R450-F477 HydrophobicContact CG-CZ 4.14Å; R450-F477 VanDerWaalsContact CZ-CD1 3.46Å; F454-F477 HydrophobicContact CB-CE2 3.89Å; F454-F477 HydrophobicContact CB-CZ 4.15Å; F454-F477 HydrophobicContact CD2-CE2 4.13Å; F454-F477 AromaticContact CG-CE2 3.93Å; F454-F477 HydrophobicContact CG-CE2 3.93Å; F473-F477 AromaticContact CD2-CD2 3.62Å; F473-F477 HydrophobicContact CD2-CD2 3.62Å; F473-F477 AromaticContact CD2-CE2 3.75Å; F473-F477 HydrophobicContact CD2-CE2 3.75Å; F473-F477 AromaticContact CE2-CD2 3.53Å; F473-F477 HydrophobicContact CE2-CD2 3.53Å; F473-F477 AromaticContact CE2-CE2 3.62Å; F473-F477 HydrophobicContact CE2-CE2 3.62Å; F473-F477 HydrophobicContact CE2-CG 4.42Å; F473-F477 HydrophobicContact CG-CD2 4.24Å; F473-F477 HydrophobicContact CZ-CD2 4.09Å; F473-F477 WeakPolarHBondContact O-CD2 3.19Å; F473-F477 PolarHBondContact O-N 2.89Å; L474-F477 CarbonylContact O-C 3.31Å; L474-F477 VanDerWaalsContact O-C 3.31Å; F477-E479 VanDerWaalsContact CA-OE2 3.31Å; F477-E479 WeakPolarHBondContact CA-OE2 3.44Å; F477-E479 PolarHBondContact O-N 2.94Å; F477-E479 VanDerWaalsContact O-N 3.14Å; F477-L480 HydrophobicContact CB-CB 4.18Å; F477-L480 HydrophobicContact CB-CD1 3.62Å; F477-L480 HydrophobicContact CB-CG 3.83Å; F477-L480 HydrophobicContact CD1-CD1 4.45Å; F477-L480 HydrophobicContact CG-CD1 4.05Å; F477-L480 WeakPolarHBondContact O-CB 3.42Å; F477-L480 PolarHBondContact O-N 3.4Å; F477-Q481 PolarHBondContact O-N 3.36Å
478	P	93.8	Very high	92.5	Very high	66 Å²	66	60.7 Å²	60.7	43%	0.429	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-28.8	-177.4	24.6	-35.6	0	0	0	113.4	Y476 L480 Q481 D482	Y476-P478 VanDerWaalsContact C-CD 3.43Å; Y476-P478 WeakPolarHBondContact O-CD 3.3Å; P478-L480 PolarHBondContact O-N 3.44Å; P478-Q481 WeakPolarHBondContact O-CA 3.16Å; P478-Q481 WeakPolarHBondContact O-CB 3.47Å; P478-Q481 PolarHBondContact O-N 3.01Å; P478-Q481 VanDerWaalsContact O-N 3.08Å; P478-D482 PolarHBondContact O-N 3.3Å
479	E	94.1	Very high	92.2	Very high	84 Å²	84	68 Å²	68	39%	0.393	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-28.7	173.9	65.1	-89	-134.7	0	0	113.2	R450 F477 A483	R450-E479 IonicContact CZ-OE1 2.71Å; R450-E479 IonicContact NH1-OE1 3.18Å; R450-E479 PolarHBondContact NH1-OE1 3.03Å; R450-E479 IonicContact NH2-OE1 3.33Å; R450-E479 PolarHBondContact NH2-OE1 2.88Å; R450-E479 IonicContact NH2-OE2 3.47Å; R450-E479 PolarHBondContact NH2-OE2 3.07Å; F477-E479 VanDerWaalsContact CA-OE2 3.31Å; F477-E479 WeakPolarHBondContact CA-OE2 3.44Å; F477-E479 PolarHBondContact O-N 2.94Å; F477-E479 VanDerWaalsContact O-N 3.14Å; E479-A483 VanDerWaalsContact O-CB 3.29Å; E479-A483 WeakPolarHBondContact O-CB 3.19Å; E479-A483 PolarHBondContact O-N 2.91Å; E479-A483 VanDerWaalsContact O-N 3.12Å
480	L	92.8	Very high	91.7	Very high	20 Å²	20	68.5 Å²	68.5	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-83	-27.9	174.6	-56.9	-178.1	0	0	0	111.9	L444 F473 F477 P478 A484 V485	L444-L480 HydrophobicContact CB-CD1 4.03Å; L444-L480 WeakPolarHBondContact O-CD1 3.45Å; L444-L480 WeakPolarHBondContact O-CD2 3.32Å; F473-L480 HydrophobicContact CE1-CD1 3.7Å; F473-L480 HydrophobicContact CZ-CD1 3.52Å; F477-L480 HydrophobicContact CB-CB 4.18Å; F477-L480 HydrophobicContact CB-CD1 3.62Å; F477-L480 HydrophobicContact CB-CG 3.83Å; F477-L480 HydrophobicContact CD1-CD1 4.45Å; F477-L480 HydrophobicContact CG-CD1 4.05Å; F477-L480 WeakPolarHBondContact O-CB 3.42Å; F477-L480 PolarHBondContact O-N 3.4Å; P478-L480 PolarHBondContact O-N 3.44Å; L480-A484 PolarHBondContact O-N 2.72Å; L480-V485 HydrophobicContact CB-CG1 4.15Å; L480-V485 HydrophobicContact CB-CG2 3.86Å; L480-V485 HydrophobicContact CD2-CG1 4.14Å; L480-V485 PolarHBondContact O-N 2.94Å; L480-V485 VanDerWaalsContact O-N 3.16Å
481	Q	90.8	Very high	91.3	Very high	112 Å²	112	68.9 Å²	68.9	52%	0.523	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-45.7	170.3	-171.2	176.9	-13.9	0	0	111	L474 F477 P478 A483 A484	L474-Q481 HydrophobicContact CB-CB 4.16Å; L474-Q481 HydrophobicContact CB-CG 4.37Å; L474-Q481 HydrophobicContact CD2-CB 4.43Å; L474-Q481 PolarHBondContact O-OE1 3.43Å; F477-Q481 PolarHBondContact O-N 3.36Å; P478-Q481 WeakPolarHBondContact O-CA 3.16Å; P478-Q481 WeakPolarHBondContact O-CB 3.47Å; P478-Q481 PolarHBondContact O-N 3.01Å; P478-Q481 VanDerWaalsContact O-N 3.08Å; Q481-A483 VanDerWaalsContact C-N 3.32Å; Q481-A483 PolarHBondContact O-N 3.42Å; Q481-A484 PolarHBondContact O-N 2.92Å
482	D	91.6	Very high	91.2	Very high	146 Å²	146	68.9 Å²	68.9	78%	0.781	35%	0.349	S	S	*	.	H	α-helix	trans	-65.2	-34.9	176	-73.9	-19.6	0	0	0	112	P478 A484	P478-D482 PolarHBondContact O-N 3.3Å; D482-A484 PolarHBondContact O-N 3.2Å
483	A	92	Very high	91.1	Very high	68 Å²	68	68.1 Å²	68.1	56%	0.562	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	1.1	171.8	0	0	0	0	0	114.4	E479 Q481 V485	E479-A483 VanDerWaalsContact O-CB 3.29Å; E479-A483 WeakPolarHBondContact O-CB 3.19Å; E479-A483 PolarHBondContact O-N 2.91Å; E479-A483 VanDerWaalsContact O-N 3.12Å; Q481-A483 VanDerWaalsContact C-N 3.32Å; Q481-A483 PolarHBondContact O-N 3.42Å; A483-V485 VanDerWaalsContact C-N 3.26Å; A483-V485 HydrophobicContact CB-CG1 4.09Å; A483-V485 PolarHBondContact O-N 3.4Å
484	A	91.6	Very high	90.7	Very high	45 Å²	45	72.6 Å²	72.6	37%	0.372	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	34.5	178	0	0	0	0	0	115.2	L480 Q481 D482 S486 Q487	L480-A484 PolarHBondContact O-N 2.72Å; Q481-A484 PolarHBondContact O-N 2.92Å; D482-A484 PolarHBondContact O-N 3.2Å; A484-S486 PolarHBondContact O-N 2.79Å; A484-Q487 PolarHBondContact O-N 3.23Å
485	V	90.9	Very high	90.2	Very high	11 Å²	11	77.9 Å²	77.9	7%	0.067	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-58.8	-26.3	-169.3	-58	0	0	0	0	114.5	L444 L474 L480 A483 Q487 R488 F493	L444-V485 HydrophobicContact CD1-CB 4.33Å; L444-V485 HydrophobicContact CD1-CG2 4.09Å; L444-V485 HydrophobicContact CD2-CB 4.46Å; L444-V485 HydrophobicContact CD2-CG1 4.35Å; L474-V485 HydrophobicContact CD2-CG2 4.15Å; L480-V485 HydrophobicContact CB-CG1 4.15Å; L480-V485 HydrophobicContact CB-CG2 3.86Å; L480-V485 HydrophobicContact CD2-CG1 4.14Å; L480-V485 PolarHBondContact O-N 2.94Å; L480-V485 VanDerWaalsContact O-N 3.16Å; A483-V485 VanDerWaalsContact C-N 3.26Å; A483-V485 HydrophobicContact CB-CG1 4.09Å; A483-V485 PolarHBondContact O-N 3.4Å; V485-Q487 PolarHBondContact O-N 3.48Å; V485-R488 VanDerWaalsContact O-CB 3.3Å; V485-R488 WeakPolarHBondContact O-CB 3.49Å; V485-R488 PolarHBondContact O-N 3.28Å; V485-F493 HydrophobicContact CG2-CE1 4.42Å; V485-F493 HydrophobicContact CG2-CZ 3.89Å
486	S	87.7	Confident	89.7	Confident	31 Å²	31	70.5 Å²	70.5	22%	0.217	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-69	-14.1	177.3	57	0	0	0	0	114.3	A484 E492 F493	A484-S486 PolarHBondContact O-N 2.79Å; S486-E492 WeakPolarHBondContact O-CA 3.35Å; S486-F493 VanDerWaalsContact CB-CD2 3.44Å; S486-F493 PolarHBondContact O-N 2.87Å
487	Q	89.8	Confident	89.1	Confident	159 Å²	159	66.8 Å²	66.8	74%	0.743	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-116.1	15	177.9	-60	-178.2	-4.2	0	0	112.1	A484 V485 E489	A484-Q487 PolarHBondContact O-N 3.23Å; V485-Q487 PolarHBondContact O-N 3.48Å; Q487-E489 PolarHBondContact O-N 3.4Å
488	R	88.7	Confident	88.4	Confident	133 Å²	133	69.4 Å²	69.4	50%	0.502	36%	0.361	S	S	.	.			trans	-65.7	120.5	178.6	-177.9	177.9	-178.9	-173.9	0.6	110.1	V485 G490 L491 E492	V485-R488 VanDerWaalsContact O-CB 3.3Å; V485-R488 WeakPolarHBondContact O-CB 3.49Å; V485-R488 PolarHBondContact O-N 3.28Å; R488-G490 PolarHBondContact O-N 3.44Å; R488-L491 HydrophobicContact CG-CB 4.48Å; R488-L491 CarbonylContact O-C 3.35Å; R488-L491 PolarHBondContact O-N 2.88Å; R488-E492 PolarHBondContact O-N 3.09Å
489	E	86.3	Confident	87.3	Confident	184 Å²	184	67.2 Å²	67.2	86%	0.86	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	125.4	-177.7	-172	176	-174.6	0	0	111.8	Q487 L491 E492	Q487-E489 PolarHBondContact O-N 3.4Å; E489-L491 VanDerWaalsContact C-N 3.3Å; E489-L491 PolarHBondContact O-N 3.4Å; E489-E492 WeakPolarHBondContact CA-OE1 3.35Å
490	G	81.8	Confident	86.3	Confident	26 Å²	26	66.6 Å²	66.6	27%	0.268	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-16.8	-177.4	0	0	0	0	0	115.9	R488 E492 R495	R488-G490 PolarHBondContact O-N 3.44Å; G490-E492 VanDerWaalsContact C-OE2 3.26Å; G490-E492 WeakPolarHBondContact CA-OE2 3.23Å; G490-E492 VanDerWaalsContact N-CD 3.26Å; G490-E492 PolarHBondContact N-OE1 3.37Å; G490-E492 PolarHBondContact N-OE2 2.92Å; G490-R495 PolarHBondContact O-NH1 2.88Å
491	L	84.7	Confident	85.2	Confident	30 Å²	30	65.8 Å²	65.8	16%	0.157	35%	0.351	C	S	.	.			trans	-128.8	26.2	-175.6	-64.9	171.3	0	0	0	111.9	Y440 R488 E489 P504 F505	Y440-L491 HydrophobicContact CE1-CB 4.24Å; Y440-L491 HydrophobicContact CE2-CD1 4.16Å; Y440-L491 WeakPolarHBondContact OH-CB 3.23Å; R488-L491 HydrophobicContact CG-CB 4.48Å; R488-L491 CarbonylContact O-C 3.35Å; R488-L491 PolarHBondContact O-N 2.88Å; E489-L491 VanDerWaalsContact C-N 3.3Å; E489-L491 PolarHBondContact O-N 3.4Å; L491-P504 HydrophobicContact CD2-CB 3.75Å; L491-P504 WeakPolarHBondContact CD2-O 3.49Å; L491-F505 HydrophobicContact CD2-CB 4.42Å
492	E	91	Very high	84.5	Confident	55 Å²	55	63.7 Å²	63.7	26%	0.257	35%	0.348	S	S	.	.			trans	-62.4	136	-176.3	-52.9	84.3	171.8	0	0	110.7	S486 R488 E489 G490 E494 R495 W496	S486-E492 WeakPolarHBondContact O-CA 3.35Å; R488-E492 PolarHBondContact O-N 3.09Å; E489-E492 WeakPolarHBondContact CA-OE1 3.35Å; G490-E492 VanDerWaalsContact C-OE2 3.26Å; G490-E492 WeakPolarHBondContact CA-OE2 3.23Å; G490-E492 VanDerWaalsContact N-CD 3.26Å; G490-E492 PolarHBondContact N-OE1 3.37Å; G490-E492 PolarHBondContact N-OE2 2.92Å; E492-E494 PolarHBondContact O-N 3.37Å; E492-R495 HydrophobicContact CB-CB 4.07Å; E492-R495 WeakPolarHBondContact O-CA 3.47Å; E492-R495 WeakPolarHBondContact O-CB 3.39Å; E492-R495 PolarHBondContact O-N 2.94Å; E492-R495 VanDerWaalsContact OE2-CD 3.29Å; E492-R495 WeakPolarHBondContact OE2-CD 3.43Å; E492-W496 PolarHBondContact O-N 3.46Å
493	F	91.3	Very high	84.1	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-30.7	-176	-72	5.3	0	0	0	112.5	F437 Y440 L441 L444 I470 F473 L474 V485 S486 R495 W496 L497	F437-F493 AromaticContact CE2-CD1 3.92Å; F437-F493 HydrophobicContact CE2-CD1 3.92Å; F437-F493 HydrophobicContact CE2-CE1 4.27Å; F437-F493 HydrophobicContact CE2-CG 4.16Å; F437-F493 HydrophobicContact CZ-CB 4.3Å; F437-F493 HydrophobicContact CZ-CD1 4.29Å; F437-F493 HydrophobicContact CZ-CD2 4.33Å; F437-F493 HydrophobicContact CZ-CG 4.06Å; Y440-F493 HydrophobicContact CE1-CE1 4Å; L441-F493 HydrophobicContact CD2-CE1 4.01Å; L441-F493 HydrophobicContact CD2-CE2 3.9Å; L441-F493 HydrophobicContact CD2-CZ 3.46Å; L441-F493 VanDerWaalsContact CD2-CZ 3.46Å; L444-F493 HydrophobicContact CD1-CE1 4.05Å; L444-F493 HydrophobicContact CD1-CZ 4.08Å; I470-F493 HydrophobicContact CB-CD2 4.49Å; I470-F493 HydrophobicContact CD1-CB 4.13Å; I470-F493 HydrophobicContact CD1-CD2 4.02Å; I470-F493 HydrophobicContact CG1-CD2 3.95Å; I470-F493 HydrophobicContact CG2-CD2 3.76Å; I470-F493 HydrophobicContact CG2-CE2 4.21Å; F473-F493 HydrophobicContact CD1-CE2 4.38Å; F473-F493 HydrophobicContact CE1-CZ 4.31Å; L474-F493 HydrophobicContact CD2-CE2 4.5Å; V485-F493 HydrophobicContact CG2-CE1 4.42Å; V485-F493 HydrophobicContact CG2-CZ 3.89Å; S486-F493 VanDerWaalsContact CB-CD2 3.44Å; S486-F493 PolarHBondContact O-N 2.87Å; F493-R495 VanDerWaalsContact C-N 3.3Å; F493-R495 PolarHBondContact O-N 2.86Å; F493-W496 WeakPolarHBondContact O-CB 3.14Å; F493-W496 PolarHBondContact O-N 3.2Å; F493-L497 WeakPolarHBondContact O-CG 3.27Å; F493-L497 PolarHBondContact O-N 2.81Å
494	E	86.3	Confident	83.7	Confident	95 Å²	95	56.2 Å²	56.2	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-71.9	-24.4	173.8	-159	60.5	-120.2	0	0	112.6	R413 E492 L497 S498	R413-E494 IonicContact NH1-OE1 3.65Å; R413-E494 PolarHBondContact NH1-OE1 2.93Å; E492-E494 PolarHBondContact O-N 3.37Å; E494-L497 PolarHBondContact O-N 3.13Å; E494-S498 WeakPolarHBondContact O-CA 3.27Å; E494-S498 WeakPolarHBondContact O-CB 3.23Å; E494-S498 PolarHBondContact O-N 3.3Å; E494-S498 PolarHBondContact OE1-OG 2.97Å
495	R	84.8	Confident	83.3	Confident	131 Å²	131	55.9 Å²	55.9	49%	0.494	29%	0.291	S	S	.	.	H	α-helix	trans	-74.9	-26.1	172.8	179.6	179.3	175.4	179.2	-4.2	112.4	G490 E492 F493 G499	G490-R495 PolarHBondContact O-NH1 2.88Å; E492-R495 HydrophobicContact CB-CB 4.07Å; E492-R495 WeakPolarHBondContact O-CA 3.47Å; E492-R495 WeakPolarHBondContact O-CB 3.39Å; E492-R495 PolarHBondContact O-N 2.94Å; E492-R495 VanDerWaalsContact OE2-CD 3.29Å; E492-R495 WeakPolarHBondContact OE2-CD 3.43Å; F493-R495 VanDerWaalsContact C-N 3.3Å; F493-R495 PolarHBondContact O-N 2.86Å; R495-G499 WeakPolarHBondContact O-CA 3.38Å
496	W	84.2	Confident	82.8	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.4	-48.5	167.9	-77	92.9	0	0	0	111.2	I412 C436 F437 Y440 E492 F493 P503 P504 F505	I412-W496 WeakPolarHBondContact CD1-O 3.45Å; I412-W496 VanDerWaalsContact CG1-O 3.22Å; I412-W496 WeakPolarHBondContact CG1-O 3.36Å; C436-W496 HydrophobicContact CB-CH2 4.11Å; C436-W496 HydrophobicContact CB-CZ3 3.83Å; F437-W496 HydrophobicContact CB-CD2 4.04Å; F437-W496 HydrophobicContact CB-CE3 3.53Å; F437-W496 HydrophobicContact CB-CZ3 3.9Å; F437-W496 HydrophobicContact CD1-CB 4.49Å; F437-W496 HydrophobicContact CD2-CB 3.8Å; F437-W496 AromaticContact CD2-CD1 3.84Å; F437-W496 AromaticContact CD2-CD2 3.49Å; F437-W496 HydrophobicContact CD2-CD2 3.49Å; F437-W496 VanDerWaalsContact CD2-CD2 3.49Å; F437-W496 AromaticContact CD2-CE2 3.9Å; F437-W496 AromaticContact CD2-CE3 3.94Å; F437-W496 HydrophobicContact CD2-CE3 3.94Å; F437-W496 AromaticContact CD2-CG 3.43Å; F437-W496 HydrophobicContact CD2-CG 3.43Å; F437-W496 VanDerWaalsContact CD2-CG 3.43Å; F437-W496 HydrophobicContact CE2-CB 4Å; F437-W496 AromaticContact CE2-CD1 3.87Å; F437-W496 HydrophobicContact CE2-CD2 4.29Å; F437-W496 AromaticContact CE2-CG 3.79Å; F437-W496 HydrophobicContact CE2-CG 3.79Å; F437-W496 HydrophobicContact CG-CB 4.08Å; F437-W496 HydrophobicContact CG-CD2 4.02Å; F437-W496 HydrophobicContact CG-CE3 4.03Å; F437-W496 HydrophobicContact CG-CG 4.09Å; F437-W496 HydrophobicContact CZ-CB 4.44Å; Y440-W496 AromaticContact CD1-CE2 3.78Å; Y440-W496 AromaticContact CD1-CZ2 3.72Å; Y440-W496 HydrophobicContact CD1-CZ2 3.72Å; Y440-W496 AromaticContact CD1-NE1 3.56Å; Y440-W496 HydrophobicContact CE1-CZ2 4.48Å; Y440-W496 AromaticContact CE1-NE1 3.7Å; Y440-W496 AromaticContact CG-CZ2 3.91Å; Y440-W496 HydrophobicContact CG-CZ2 3.91Å; E492-W496 PolarHBondContact O-N 3.46Å; F493-W496 WeakPolarHBondContact O-CB 3.14Å; F493-W496 PolarHBondContact O-N 3.2Å; W496-P503 HydrophobicContact CH2-CB 4.11Å; W496-P503 HydrophobicContact CZ3-CB 3.73Å; W496-P504 HydrophobicContact CD2-CG 4.13Å; W496-P504 HydrophobicContact CZ2-CB 4.02Å; W496-P504 HydrophobicContact CZ2-CG 4.34Å; W496-F505 HydrophobicContact CH2-CB 3.82Å; W496-F505 HydrophobicContact CZ2-CB 3.69Å
497	L	82.7	Confident	82.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-73.8	-40.7	-172.9	-62.3	167.9	0	0	0	113.4	W360 R413 F437 A466 I470 F493 E494	W360-L497 HydrophobicContact CH2-CD2 4.21Å; W360-L497 HydrophobicContact CZ2-CD2 3.37Å; R413-L497 WeakPolarHBondContact CB-O 3.45Å; R413-L497 PolarHBondContact N-O 3.06Å; F437-L497 HydrophobicContact CE1-CD2 4.22Å; A466-L497 HydrophobicContact CB-CD1 3.73Å; A466-L497 HydrophobicContact CB-CD2 3.62Å; A466-L497 HydrophobicContact CB-CG 4.34Å; I470-L497 HydrophobicContact CD1-CD1 3.75Å; F493-L497 WeakPolarHBondContact O-CG 3.27Å; F493-L497 PolarHBondContact O-N 2.81Å; E494-L497 PolarHBondContact O-N 3.13Å
498	S	80.3	Confident	81.7	Confident	55 Å²	55	57.9 Å²	57.9	39%	0.385	30%	0.302	S	S	.	.	S	Bend	trans	-128.4	41.4	-167.2	-49.3	0	0	0	0	111.4	D411 R413 E494	D411-S498 WeakPolarHBondContact OD1-CA 3.49Å; D411-S498 WeakPolarHBondContact OD2-CA 3.17Å; R413-S498 PolarHBondContact NH1-OG 3.17Å; E494-S498 WeakPolarHBondContact O-CA 3.27Å; E494-S498 WeakPolarHBondContact O-CB 3.23Å; E494-S498 PolarHBondContact O-N 3.3Å; E494-S498 PolarHBondContact OE1-OG 2.97Å
499	G	69.7	Low	80.9	Confident	19 Å²	19	53.1 Å²	53.1	20%	0.196	29%	0.287	C	S	.	.			trans	-139.8	114	-173.4	0	0	0	0	0	113	D411 K433 R495	D411-G499 VanDerWaalsContact CG-N 3.29Å; D411-G499 PolarHBondContact OD1-N 2.91Å; D411-G499 PolarHBondContact OD2-N 2.86Å; K433-G499 PolarHBondContact NZ-O 3.08Å; R495-G499 WeakPolarHBondContact O-CA 3.38Å
500	C	72.6	Confident	80.1	Confident	71 Å²	71	48.2 Å²	48.2	48%	0.48	27%	0.272	S	S	.	.			trans	-65	155.1	-176.3	-52.7	0	0	0	0	114.5	P408 E410	P408-C500 VanDerWaalsContact O-CB 3.26Å; P408-C500 WeakPolarHBondContact O-CB 3.44Å; E410-C500 CarbonylContact O-C 3.27Å; E410-C500 VanDerWaalsContact O-CA 3.25Å; E410-C500 WeakPolarHBondContact O-CA 3.37Å
501	G	71.3	Confident	79.4	Confident	4 Å²	4	49.1 Å²	49.1	4%	0.041	28%	0.277	C	S	.	.	S	Bend	trans	94.1	-159.4	171.8	0	0	0	0	0	114.1	E410 K433	E410-G501 PolarHBondContact O-N 2.63Å; K433-G501 WeakPolarHBondContact CE-O 3.4Å; K433-G501 PolarHBondContact NZ-O 3.47Å
502	P	75.5	Confident	78.6	Confident	68 Å²	68	47.7 Å²	47.7	44%	0.442	27%	0.27	S	S	.	.	S	Bend	trans	-67.2	158.1	-173.6	25.8	-32.4	0	0	0	112.6	S406	S406-P502 WeakPolarHBondContact OG-CB 3.35Å; S406-P502 WeakPolarHBondContact OG-CD 3.48Å
503	P	82.9	Confident	77.8	Confident	16 Å²	16	46.9 Å²	46.9	10%	0.104	28%	0.277	C	S	.	.			trans	-61.8	136.2	178.3	26.2	-34	0	0	0	111.2	L402 K433 C436 W496 F505	L402-P503 HydrophobicContact CD2-CG 4.07Å; K433-P503 HydrophobicContact CG-CB 4.12Å; C436-P503 HydrophobicContact CB-CB 3.73Å; C436-P503 HydrophobicContact CB-CG 4.24Å; W496-P503 HydrophobicContact CH2-CB 4.11Å; W496-P503 HydrophobicContact CZ3-CB 3.73Å; P503-F505 PolarHBondContact O-N 3.48Å; P503-F505 VanDerWaalsContact O-N 3.08Å
504	P	83.8	Confident	77.1	Confident	41 Å²	41	49.9 Å²	49.9	27%	0.266	30%	0.303	S	S	.	.	S	Bend	trans	-60.6	-14	176.8	-27.7	35.8	0	0	0	116	L491 W496	L491-P504 HydrophobicContact CD2-CB 3.75Å; L491-P504 WeakPolarHBondContact CD2-O 3.49Å; W496-P504 HydrophobicContact CD2-CG 4.13Å; W496-P504 HydrophobicContact CZ2-CB 4.02Å; W496-P504 HydrophobicContact CZ2-CG 4.34Å
505	F	83	Confident	76.7	Confident	38 Å²	38	46.1 Å²	46.1	17%	0.167	29%	0.285	C	S	.	.			trans	-140.6	137.2	174.8	163.1	-89	0	0	0	109.3	Y440 E443 L491 W496 P503 P507	Y440-F505 HydrophobicContact CD2-CB 4.37Å; Y440-F505 HydrophobicContact CD2-CD1 4.43Å; Y440-F505 HydrophobicContact CD2-CD2 4.32Å; Y440-F505 HydrophobicContact CD2-CG 4.15Å; Y440-F505 HydrophobicContact CG-CD1 4.5Å; Y440-F505 HydrophobicContact CG-CG 4.5Å; E443-F505 VanDerWaalsContact OE2-CE2 3.3Å; E443-F505 WeakPolarHBondContact OE2-CE2 3.36Å; E443-F505 WeakPolarHBondContact OE2-CZ 3.39Å; L491-F505 HydrophobicContact CD2-CB 4.42Å; W496-F505 HydrophobicContact CH2-CB 3.82Å; W496-F505 HydrophobicContact CZ2-CB 3.69Å; P503-F505 PolarHBondContact O-N 3.48Å; P503-F505 VanDerWaalsContact O-N 3.08Å; F505-P507 HydrophobicContact CE1-CB 3.96Å; F505-P507 HydrophobicContact CZ-CB 4.45Å
506	E	80	Confident	76.6	Confident	96 Å²	96	40.6 Å²	40.6	45%	0.449	27%	0.266	S	S	.	.			trans	-108	124.9	171.6	-171.8	178.5	175.6	0	0	107.7	L509	E506-L509 HydrophobicContact CG-CD1 4.34Å; E506-L509 VanDerWaalsContact OE1-CD1 3.28Å; E506-L509 WeakPolarHBondContact OE1-CD1 3.38Å
507	P	78.4	Confident	76.7	Confident	18 Å²	18	41.8 Å²	41.8	12%	0.117	28%	0.277	C	S	.	.			trans	-67.5	161.9	177.3	28.1	-33.3	0	0	0	111.3	L399 F435 F505 L509	L399-P507 HydrophobicContact CD1-CG 4.22Å; F435-P507 HydrophobicContact CE1-CG 3.8Å; F435-P507 HydrophobicContact CZ-CG 4.28Å; F505-P507 HydrophobicContact CE1-CB 3.96Å; F505-P507 HydrophobicContact CZ-CB 4.45Å; P507-L509 HydrophobicContact CG-CD2 4.49Å; P507-L509 WeakPolarHBondContact O-CG 3.41Å; P507-L509 PolarHBondContact O-N 2.84Å; P507-L509 VanDerWaalsContact O-N 3.1Å
508	D	76	Confident	77	Confident	129 Å²	129	43.7 Å²	43.7	69%	0.69	29%	0.29	S	S	*	.			trans	-65.5	114.4	-176.5	-176.3	25.9	0	0	0	113	S510	D508-S510 VanDerWaalsContact CG-OG 3.25Å; D508-S510 WeakPolarHBondContact OD1-CB 3.44Å; D508-S510 PolarHBondContact OD1-N 3.47Å; D508-S510 PolarHBondContact OD1-OG 2.96Å; D508-S510 WeakPolarHBondContact OD2-CB 3.11Å; D508-S510 PolarHBondContact OD2-OG 3.44Å
509	L	71.7	Confident	77.5	Confident	33 Å²	33	41 Å²	41	17%	0.173	27%	0.271	C	S	.	.			trans	-102	11.7	175.9	-49.4	-175.6	0	0	0	112.8	T396 L399 E506 P507 A511 G512 G513	T396-L509 HydrophobicContact CG2-CB 4.29Å; T396-L509 HydrophobicContact CG2-CD1 3.9Å; L399-L509 HydrophobicContact CB-CD1 4.22Å; L399-L509 HydrophobicContact CD1-CD1 3.79Å; L399-L509 HydrophobicContact CD1-CD2 3.71Å; L399-L509 HydrophobicContact CD1-CG 4.32Å; E506-L509 HydrophobicContact CG-CD1 4.34Å; E506-L509 VanDerWaalsContact OE1-CD1 3.28Å; E506-L509 WeakPolarHBondContact OE1-CD1 3.38Å; P507-L509 HydrophobicContact CG-CD2 4.49Å; P507-L509 WeakPolarHBondContact O-CG 3.41Å; P507-L509 PolarHBondContact O-N 2.84Å; P507-L509 VanDerWaalsContact O-N 3.1Å; L509-A511 PolarHBondContact O-N 3.32Å; L509-A511 VanDerWaalsContact O-N 3.16Å; L509-G512 PolarHBondContact O-N 2.84Å; L509-G513 PolarHBondContact O-N 3.42Å
510	S	70.1	Confident	78.4	Confident	80 Å²	80	42.7 Å²	42.7	56%	0.559	27%	0.274	S	S	*	.	H	α-helix	trans	-51.8	-38.5	-179.7	67.7	0	0	0	0	113	D508 G512 G513	D508-S510 VanDerWaalsContact CG-OG 3.25Å; D508-S510 WeakPolarHBondContact OD1-CB 3.44Å; D508-S510 PolarHBondContact OD1-N 3.47Å; D508-S510 PolarHBondContact OD1-OG 2.96Å; D508-S510 WeakPolarHBondContact OD2-CB 3.11Å; D508-S510 PolarHBondContact OD2-OG 3.44Å; S510-G512 VanDerWaalsContact C-N 3.25Å; S510-G512 PolarHBondContact O-N 3.27Å; S510-G513 PolarHBondContact O-N 3.1Å
511	A	66.4	Low	79.4	Confident	45 Å²	45	44.6 Å²	44.6	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-54.8	-35.8	173.8	0	0	0	0	0	113.8	A381 T392 L509	A381-A511 HydrophobicContact CB-CB 3.72Å; T392-A511 HydrophobicContact CG2-CB 3.83Å; L509-A511 PolarHBondContact O-N 3.32Å; L509-A511 VanDerWaalsContact O-N 3.16Å
512	G	69.5	Low	80.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-75.5	-22.5	175.1	0	0	0	0	0	113.3	L509 S510 A514 L515 I516	L509-G512 PolarHBondContact O-N 2.84Å; S510-G512 VanDerWaalsContact C-N 3.25Å; S510-G512 PolarHBondContact O-N 3.27Å; G512-A514 VanDerWaalsContact C-N 3.33Å; G512-A514 PolarHBondContact O-N 3.03Å; G512-L515 WeakPolarHBondContact O-CB 3.27Å; G512-L515 PolarHBondContact O-N 3.09Å; G512-I516 WeakPolarHBondContact O-CD1 3.37Å; G512-I516 VanDerWaalsContact O-CG1 3.24Å; G512-I516 WeakPolarHBondContact O-CG1 3.31Å; G512-I516 PolarHBondContact O-N 3.34Å
513	G	73.6	Confident	81.2	Confident	39 Å²	39	41.1 Å²	41.1	40%	0.402	25%	0.253	S	S	.	.	H	α-helix	trans	-56.1	-42.2	-174.8	0	0	0	0	0	113.8	L509 S510 L515 I516 G517	L509-G513 PolarHBondContact O-N 3.42Å; S510-G513 PolarHBondContact O-N 3.1Å; G513-L515 PolarHBondContact O-N 3.18Å; G513-I516 PolarHBondContact O-N 3.35Å; G513-G517 PolarHBondContact O-N 3.34Å
514	A	76.5	Confident	81.7	Confident	69 Å²	69	44.3 Å²	44.3	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-64.9	-26.2	178.2	0	0	0	0	0	113.7	G512 P518	G512-A514 VanDerWaalsContact C-N 3.33Å; G512-A514 PolarHBondContact O-N 3.03Å; A514-P518 WeakPolarHBondContact O-CD 3.36Å
515	L	78	Confident	82.1	Confident	16 Å²	16	45.2 Å²	45.2	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-89.2	-26.8	179	-58.7	168.6	0	0	0	112	S389 G512 G513 V519 Q549	S389-L515 VanDerWaalsContact O-CD1 3.31Å; S389-L515 WeakPolarHBondContact O-CD1 3.24Å; G512-L515 WeakPolarHBondContact O-CB 3.27Å; G512-L515 PolarHBondContact O-N 3.09Å; G513-L515 PolarHBondContact O-N 3.18Å; L515-V519 WeakPolarHBondContact O-CG2 3.36Å; L515-Q549 PolarHBondContact O-NE2 2.9Å
516	I	82.9	Confident	82.5	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-83.8	-30.6	-179.8	-66.1	162.5	0	0	0	111.8	L393 T396 G512 G513 V519 Q520 L552	L393-I516 HydrophobicContact CD1-CD1 3.82Å; L393-I516 HydrophobicContact CD1-CG1 3.28Å; T396-I516 HydrophobicContact CG2-CD1 3.31Å; G512-I516 WeakPolarHBondContact O-CD1 3.37Å; G512-I516 VanDerWaalsContact O-CG1 3.24Å; G512-I516 WeakPolarHBondContact O-CG1 3.31Å; G512-I516 PolarHBondContact O-N 3.34Å; G513-I516 PolarHBondContact O-N 3.35Å; I516-V519 CarbonylContact O-C 3.59Å; I516-V519 PolarHBondContact O-N 3.09Å; I516-V519 VanDerWaalsContact O-N 3.16Å; I516-Q520 WeakPolarHBondContact O-CB 3.46Å; I516-Q520 PolarHBondContact O-N 3.04Å; I516-L552 HydrophobicContact CG1-CD2 4Å; I516-L552 HydrophobicContact CG2-CD2 4.48Å
517	G	86	Confident	82.9	Confident	24 Å²	24	42.9 Å²	42.9	25%	0.247	26%	0.257	C	S	.	.	H	α-helix	trans	-50.5	-60	177.9	0	0	0	0	0	113	G513 V519 Q520 E521	G513-G517 PolarHBondContact O-N 3.34Å; G517-V519 PolarHBondContact O-N 2.81Å; G517-Q520 WeakPolarHBondContact O-CA 3.44Å; G517-Q520 WeakPolarHBondContact O-CB 3.5Å; G517-Q520 PolarHBondContact O-N 3.4Å; G517-E521 WeakPolarHBondContact O-CG 3.45Å; G517-E521 PolarHBondContact O-N 2.99Å
518	P	89.4	Confident	82.8	Confident	41 Å²	41	43.5 Å²	43.5	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-31.7	177.9	-26	35.6	0	0	0	113.9	A514 L522 F540 W545	A514-P518 WeakPolarHBondContact O-CD 3.36Å; P518-L522 WeakPolarHBondContact O-CB 3.34Å; P518-L522 PolarHBondContact O-N 3.04Å; P518-F540 HydrophobicContact CB-CD1 4.5Å; P518-F540 HydrophobicContact CB-CE1 4.38Å; P518-F540 WeakPolarHBondContact O-CE1 3.37Å; P518-W545 HydrophobicContact CB-CZ2 4.12Å
519	V	90	Very high	82.7	Confident	0 Å²	0	40 Å²	40	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-71	-38.6	175.2	-178.6	0	0	0	0	111	L515 I516 G517 C523 W545 Q549 L552 F553	L515-V519 WeakPolarHBondContact O-CG2 3.36Å; I516-V519 CarbonylContact O-C 3.59Å; I516-V519 PolarHBondContact O-N 3.09Å; I516-V519 VanDerWaalsContact O-N 3.16Å; G517-V519 PolarHBondContact O-N 2.81Å; V519-C523 WeakPolarHBondContact O-CB 3.45Å; V519-C523 PolarHBondContact O-N 3.34Å; V519-C523 PolarHBondContact O-SG 2.74Å; V519-W545 HydrophobicContact CB-CH2 4.37Å; V519-W545 HydrophobicContact CG2-CE3 4.29Å; V519-W545 HydrophobicContact CG2-CH2 3.86Å; V519-W545 HydrophobicContact CG2-CZ2 4.42Å; V519-W545 HydrophobicContact CG2-CZ3 3.8Å; V519-Q549 HydrophobicContact CG2-CB 4.14Å; V519-Q549 HydrophobicContact CG2-CG 4.18Å; V519-L552 HydrophobicContact CB-CD2 4.33Å; V519-L552 HydrophobicContact CG1-CB 4.31Å; V519-L552 HydrophobicContact CG1-CD2 3.98Å; V519-L552 HydrophobicContact CG1-CG 3.86Å; V519-F553 HydrophobicContact CG1-CB 3.96Å
520	Q	89.2	Confident	83.5	Confident	53 Å²	53	44.8 Å²	44.8	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-48.8	175.7	-176.2	60.8	60.8	0	0	111.3	I516 G517 L522 C523 D524	I516-Q520 WeakPolarHBondContact O-CB 3.46Å; I516-Q520 PolarHBondContact O-N 3.04Å; G517-Q520 WeakPolarHBondContact O-CA 3.44Å; G517-Q520 WeakPolarHBondContact O-CB 3.5Å; G517-Q520 PolarHBondContact O-N 3.4Å; Q520-L522 VanDerWaalsContact C-N 3.34Å; Q520-L522 PolarHBondContact O-N 2.89Å; Q520-C523 WeakPolarHBondContact O-CB 3.42Å; Q520-C523 PolarHBondContact O-N 2.69Å; Q520-D524 WeakPolarHBondContact CG-OD2 3.03Å; Q520-D524 PolarHBondContact NE2-OD1 3.08Å; Q520-D524 VanDerWaalsContact NE2-OD1 3.12Å; Q520-D524 PolarHBondContact NE2-OD2 3.48Å; Q520-D524 PolarHBondContact O-N 2.73Å
521	E	92.5	Very high	84.4	Confident	111 Å²	111	43.6 Å²	43.6	52%	0.519	28%	0.278	S	S	.	.	H	α-helix	trans	-58	-45.7	178.1	-70.1	164.7	-165.9	0	0	111.2	G517 D524 L525 F540	G517-E521 WeakPolarHBondContact O-CG 3.45Å; G517-E521 PolarHBondContact O-N 2.99Å; E521-D524 PolarHBondContact O-N 3.1Å; E521-L525 WeakPolarHBondContact O-CG 3.38Å; E521-L525 PolarHBondContact O-N 3.13Å; E521-F540 HydrophobicContact CB-CE1 4.07Å; E521-F540 HydrophobicContact CB-CZ 3.97Å
522	L	94.1	Very high	85.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-41.2	175.9	-173.4	63.2	0	0	0	112.4	P518 Q520 D524 L525 W526 L537 F540 L542 W545 F553	P518-L522 WeakPolarHBondContact O-CB 3.34Å; P518-L522 PolarHBondContact O-N 3.04Å; Q520-L522 VanDerWaalsContact C-N 3.34Å; Q520-L522 PolarHBondContact O-N 2.89Å; L522-D524 VanDerWaalsContact C-N 3.32Å; L522-D524 PolarHBondContact O-N 3.16Å; L522-L525 PolarHBondContact O-N 3.4Å; L522-W526 PolarHBondContact O-N 2.92Å; L522-W526 VanDerWaalsContact O-N 3.13Å; L522-L537 HydrophobicContact CD1-CD2 4.01Å; L522-F540 HydrophobicContact CB-CD1 4.08Å; L522-F540 HydrophobicContact CB-CE1 4.2Å; L522-F540 HydrophobicContact CB-CG 4.37Å; L522-F540 HydrophobicContact CD1-CB 4.16Å; L522-F540 HydrophobicContact CD1-CD1 4.47Å; L522-F540 HydrophobicContact CD1-CD2 3.87Å; L522-F540 HydrophobicContact CD1-CE2 4.4Å; L522-F540 HydrophobicContact CD1-CG 3.91Å; L522-F540 HydrophobicContact CD2-CB 4.37Å; L522-L542 HydrophobicContact CD2-CD1 3.75Å; L522-L542 HydrophobicContact CD2-CD2 4.28Å; L522-L542 HydrophobicContact CD2-CG 4.3Å; L522-W545 HydrophobicContact CB-CH2 4.18Å; L522-W545 HydrophobicContact CD2-CH2 3.5Å; L522-W545 VanDerWaalsContact CD2-CH2 3.5Å; L522-W545 HydrophobicContact CD2-CZ2 4.31Å; L522-W545 HydrophobicContact CD2-CZ3 3.99Å; L522-W545 HydrophobicContact CG-CH2 4.49Å; L522-F553 HydrophobicContact CB-CE2 4.41Å; L522-F553 HydrophobicContact CD2-CD2 3.93Å; L522-F553 HydrophobicContact CD2-CE1 4.45Å; L522-F553 HydrophobicContact CD2-CE2 3.74Å; L522-F553 HydrophobicContact CD2-CG 4.4Å; L522-F553 HydrophobicContact CD2-CZ 4.02Å; L522-F553 HydrophobicContact CG-CD2 4.16Å; L522-F553 HydrophobicContact CG-CE2 3.7Å; L522-F553 HydrophobicContact CG-CZ 4.22Å
523	C	92.2	Very high	86.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-43.4	173.4	-68.3	0	0	0	0	111.6	V519 Q520 L525 W526 R527 R556 M557	V519-C523 WeakPolarHBondContact O-CB 3.45Å; V519-C523 PolarHBondContact O-N 3.34Å; V519-C523 PolarHBondContact O-SG 2.74Å; Q520-C523 WeakPolarHBondContact O-CB 3.42Å; Q520-C523 PolarHBondContact O-N 2.69Å; C523-L525 VanDerWaalsContact C-N 3.33Å; C523-L525 PolarHBondContact O-N 2.85Å; C523-W526 CarbonylContact O-C 3.52Å; C523-W526 PolarHBondContact O-N 2.76Å; C523-R527 WeakPolarHBondContact O-CB 3.41Å; C523-R527 WeakPolarHBondContact O-CD 3.29Å; C523-R527 WeakPolarHBondContact O-CG 3.29Å; C523-R527 PolarHBondContact O-N 3.31Å; C523-R556 VanDerWaalsContact SG-CB 3.6Å; C523-M557 HydrophobicContact CB-SD 4.43Å
524	D	91.6	Very high	87	Confident	83 Å²	83	52.4 Å²	52.4	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-72.1	-26.1	-176.4	-68.4	-31.7	0	0	0	113	Q520 E521 L522 R527	Q520-D524 WeakPolarHBondContact CG-OD2 3.03Å; Q520-D524 PolarHBondContact NE2-OD1 3.08Å; Q520-D524 VanDerWaalsContact NE2-OD1 3.12Å; Q520-D524 PolarHBondContact NE2-OD2 3.48Å; Q520-D524 PolarHBondContact O-N 2.73Å; E521-D524 PolarHBondContact O-N 3.1Å; L522-D524 VanDerWaalsContact C-N 3.32Å; L522-D524 PolarHBondContact O-N 3.16Å; D524-R527 WeakPolarHBondContact OD1-CD 3.16Å; D524-R527 IonicContact OD1-CZ 2.8Å; D524-R527 IonicContact OD1-NE 2.94Å; D524-R527 IonicContact OD1-NH1 2.67Å; D524-R527 PolarHBondContact OD1-NH1 3.07Å
525	L	92.8	Very high	87.5	Confident	60 Å²	60	56.8 Å²	56.8	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-54.5	164	-70.2	172.3	0	0	0	111.1	E521 L522 C523 R527 G528 P532 A536 F540	E521-L525 WeakPolarHBondContact O-CG 3.38Å; E521-L525 PolarHBondContact O-N 3.13Å; L522-L525 PolarHBondContact O-N 3.4Å; C523-L525 VanDerWaalsContact C-N 3.33Å; C523-L525 PolarHBondContact O-N 2.85Å; L525-R527 PolarHBondContact O-N 2.75Å; L525-G528 PolarHBondContact O-N 3.49Å; L525-G528 VanDerWaalsContact O-N 3.1Å; L525-P532 HydrophobicContact CB-CB 4.36Å; L525-P532 HydrophobicContact CB-CG 4.27Å; L525-P532 WeakPolarHBondContact O-CG 3.28Å; L525-A536 HydrophobicContact CD1-CB 4.45Å; L525-F540 HydrophobicContact CD1-CD2 4.38Å; L525-F540 HydrophobicContact CD1-CE2 3.6Å; L525-F540 HydrophobicContact CD1-CZ 4.21Å
526	W	92.1	Very high	88	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-71.5	-11.7	-176.8	-72.9	111.5	0	0	0	115.1	L522 C523 P532 L537 F553 M557 V567 S570 L571 C574 Y575	L522-W526 PolarHBondContact O-N 2.92Å; L522-W526 VanDerWaalsContact O-N 3.13Å; C523-W526 CarbonylContact O-C 3.52Å; C523-W526 PolarHBondContact O-N 2.76Å; W526-P532 HydrophobicContact CD2-CG 3.78Å; W526-P532 HydrophobicContact CE3-CG 3.65Å; W526-P532 HydrophobicContact CG-CG 4.26Å; W526-P532 VanDerWaalsContact CZ3-CD 3.42Å; W526-P532 HydrophobicContact CZ3-CG 4.08Å; W526-L537 HydrophobicContact CD2-CD2 4.42Å; W526-L537 VanDerWaalsContact CE2-CD2 3.48Å; W526-L537 HydrophobicContact CH2-CD1 3.75Å; W526-L537 HydrophobicContact CH2-CD2 4.45Å; W526-L537 HydrophobicContact CZ2-CD1 3.48Å; W526-L537 VanDerWaalsContact CZ2-CD1 3.48Å; W526-L537 HydrophobicContact CZ2-CD2 3.51Å; W526-L537 HydrophobicContact CZ2-CG 4.15Å; W526-F553 AromaticContact CD1-CE2 3.85Å; W526-F553 AromaticContact CD1-CZ 3.72Å; W526-F553 HydrophobicContact CG-CZ 4.45Å; W526-M557 HydrophobicContact CB-CE 3.61Å; W526-M557 HydrophobicContact CB-SD 3.88Å; W526-V567 HydrophobicContact CE3-CG1 4.02Å; W526-V567 HydrophobicContact CZ3-CG1 4.48Å; W526-S570 WeakPolarHBondContact CH2-OG 3.31Å; W526-L571 HydrophobicContact CD2-CD2 3.44Å; W526-L571 VanDerWaalsContact CD2-CD2 3.44Å; W526-L571 HydrophobicContact CD2-CG 3.98Å; W526-L571 HydrophobicContact CE3-CD1 4.39Å; W526-L571 HydrophobicContact CE3-CD2 3.63Å; W526-L571 HydrophobicContact CE3-CG 3.59Å; W526-L571 HydrophobicContact CG-CD2 3.94Å; W526-L571 HydrophobicContact CH2-CD2 4.01Å; W526-L571 HydrophobicContact CH2-CG 4.05Å; W526-L571 HydrophobicContact CZ2-CD2 3.85Å; W526-L571 HydrophobicContact CZ2-CG 4.41Å; W526-L571 HydrophobicContact CZ3-CB 4.37Å; W526-L571 HydrophobicContact CZ3-CD2 3.91Å; W526-L571 HydrophobicContact CZ3-CG 3.63Å; W526-C574 HydrophobicContact CZ2-CB 4.43Å; W526-Y575 AromaticContact CE2-CE2 3.71Å; W526-Y575 HydrophobicContact CZ2-CD2 4.43Å; W526-Y575 AromaticContact CZ2-CE2 3.53Å; W526-Y575 HydrophobicContact CZ2-CE2 3.53Å; W526-Y575 AromaticContact NE1-CE2 3.55Å; W526-Y575 AromaticContact NE1-CZ 3.95Å; W526-Y575 PolarHBondContact NE1-OH 3.49Å
527	R	87.1	Confident	88.3	Confident	83 Å²	83	57.6 Å²	57.6	31%	0.313	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.3	169.2	-77.4	164.1	176.3	167.5	0.6	113.5	C523 D524 L525 H560	C523-R527 WeakPolarHBondContact O-CB 3.41Å; C523-R527 WeakPolarHBondContact O-CD 3.29Å; C523-R527 WeakPolarHBondContact O-CG 3.29Å; C523-R527 PolarHBondContact O-N 3.31Å; D524-R527 WeakPolarHBondContact OD1-CD 3.16Å; D524-R527 IonicContact OD1-CZ 2.8Å; D524-R527 IonicContact OD1-NE 2.94Å; D524-R527 IonicContact OD1-NH1 2.67Å; D524-R527 PolarHBondContact OD1-NH1 3.07Å; L525-R527 PolarHBondContact O-N 2.75Å; R527-H560 PolarHBondContact NE-CE1 3.43Å; R527-H560 PolarHBondContact NE-NE2 2.69Å; R527-H560 VanDerWaalsContact NE-NE2 3.18Å; R527-H560 PolarHBondContact NH2-CE1 3.34Å
528	G	76.4	Confident	88.4	Confident	31 Å²	31	60.4 Å²	60.4	32%	0.32	35%	0.345	S	S	.	.	S	Bend	trans	-57.5	143.7	167.3	0	0	0	0	0	111.8	L525 D530	L525-G528 PolarHBondContact O-N 3.49Å; L525-G528 VanDerWaalsContact O-N 3.1Å; G528-D530 PolarHBondContact O-N 2.83Å
529	G	75.4	Confident	88.4	Confident	57 Å²	57	63.6 Å²	63.6	59%	0.588	36%	0.364	S	S	*	.	S	Bend	trans	-69.1	-17.5	174.4	0	0	0	0	0	113.7
530	D	87.7	Confident	88.5	Confident	133 Å²	133	65.1 Å²	65.1	71%	0.711	37%	0.37	S	S	*	.	S	Bend	trans	-113.7	153.4	175.6	-61.3	-68.8	0	0	0	109.8	G528	G528-D530 PolarHBondContact O-N 2.83Å
531	P	88.5	Confident	88.5	Confident	55 Å²	55	67 Å²	67	36%	0.357	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-56.3	136.7	175.7	-25.9	35.6	0	0	0	112.9	E566	P531-E566 HydrophobicContact CG-CB 3.76Å
532	P	90.2	Very high	88.4	Confident	20 Å²	20	62 Å²	62	13%	0.13	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-64.6	153.9	176.7	-21.3	33.8	0	0	0	112.9	L525 W526 L537	L525-P532 HydrophobicContact CB-CB 4.36Å; L525-P532 HydrophobicContact CB-CG 4.27Å; L525-P532 WeakPolarHBondContact O-CG 3.28Å; W526-P532 HydrophobicContact CD2-CG 3.78Å; W526-P532 HydrophobicContact CE3-CG 3.65Å; W526-P532 HydrophobicContact CG-CG 4.26Å; W526-P532 VanDerWaalsContact CZ3-CD 3.42Å; W526-P532 HydrophobicContact CZ3-CG 4.08Å; P532-L537 HydrophobicContact CB-CD1 4.16Å; P532-L537 HydrophobicContact CB-CD2 3.93Å; P532-L537 HydrophobicContact CB-CG 3.98Å; P532-L537 HydrophobicContact CG-CD2 4.26Å
533	D	88.7	Confident	88.1	Confident	103 Å²	103	66.2 Å²	66.2	55%	0.551	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-64.7	139.4	173.6	171.1	60.7	0	0	0	112.1	Q535 A536 L537	D533-Q535 VanDerWaalsContact C-N 3.29Å; D533-Q535 PolarHBondContact O-N 2.72Å; D533-Q535 WeakPolarHBondContact OD2-CA 3.35Å; D533-Q535 WeakPolarHBondContact OD2-CB 3.44Å; D533-Q535 PolarHBondContact OD2-N 3.42Å; D533-A536 HydrophobicContact CB-CB 4.49Å; D533-A536 PolarHBondContact O-N 2.86Å; D533-A536 PolarHBondContact OD2-N 2.87Å; D533-L537 WeakPolarHBondContact O-CG 3.05Å; D533-L537 PolarHBondContact O-N 3.19Å
534	Q	85.8	Confident	87.8	Confident	146 Å²	146	69.9 Å²	69.9	68%	0.682	42%	0.419	S	S	*	.	H	α-helix	trans	-67.4	-26.8	-176.7	-69.2	-168.2	-13.9	0	0	113.4	L537 A538	Q534-L537 PolarHBondContact O-N 3.45Å; Q534-A538 VanDerWaalsContact O-CB 3.3Å; Q534-A538 WeakPolarHBondContact O-CB 3.16Å; Q534-A538 PolarHBondContact O-N 3.24Å
535	Q	86.9	Confident	87.7	Confident	160 Å²	160	67.9 Å²	67.9	75%	0.748	41%	0.405	S	S	*	.	H	α-helix	trans	-74.2	-31.4	176.1	-162.2	173	9	0	0	111.6	D533	D533-Q535 VanDerWaalsContact C-N 3.29Å; D533-Q535 PolarHBondContact O-N 2.72Å; D533-Q535 WeakPolarHBondContact OD2-CA 3.35Å; D533-Q535 WeakPolarHBondContact OD2-CB 3.44Å; D533-Q535 PolarHBondContact OD2-N 3.42Å
536	A	88.3	Confident	87.3	Confident	35 Å²	35	65.3 Å²	65.3	29%	0.289	39%	0.392	S	S	.	.	H	α-helix	trans	-71.8	-35.9	169.6	0	0	0	0	0	112.7	L525 D533 T539 F540	L525-A536 HydrophobicContact CD1-CB 4.45Å; D533-A536 HydrophobicContact CB-CB 4.49Å; D533-A536 PolarHBondContact O-N 2.86Å; D533-A536 PolarHBondContact OD2-N 2.87Å; A536-T539 PolarHBondContact O-OG1 2.82Å; A536-F540 WeakPolarHBondContact O-CD2 3.15Å; A536-F540 WeakPolarHBondContact O-CE2 3.43Å
537	L	89.9	Confident	87	Confident	13 Å²	13	66.1 Å²	66.1	7%	0.068	40%	0.397	C	S	.	.	H	α-helix	trans	-69.4	-33.5	174.3	-66.1	174.5	0	0	0	112.5	L522 W526 P532 D533 Q534 T539 F540	L522-L537 HydrophobicContact CD1-CD2 4.01Å; W526-L537 HydrophobicContact CD2-CD2 4.42Å; W526-L537 VanDerWaalsContact CE2-CD2 3.48Å; W526-L537 HydrophobicContact CH2-CD1 3.75Å; W526-L537 HydrophobicContact CH2-CD2 4.45Å; W526-L537 HydrophobicContact CZ2-CD1 3.48Å; W526-L537 VanDerWaalsContact CZ2-CD1 3.48Å; W526-L537 HydrophobicContact CZ2-CD2 3.51Å; W526-L537 HydrophobicContact CZ2-CG 4.15Å; P532-L537 HydrophobicContact CB-CD1 4.16Å; P532-L537 HydrophobicContact CB-CD2 3.93Å; P532-L537 HydrophobicContact CB-CG 3.98Å; P532-L537 HydrophobicContact CG-CD2 4.26Å; D533-L537 WeakPolarHBondContact O-CG 3.05Å; D533-L537 PolarHBondContact O-N 3.19Å; Q534-L537 PolarHBondContact O-N 3.45Å; L537-T539 PolarHBondContact O-N 3.47Å; L537-T539 VanDerWaalsContact O-N 3.1Å; L537-F540 PolarHBondContact O-N 3.3Å; L537-F540 VanDerWaalsContact O-N 3.09Å
538	A	87.4	Confident	86.9	Confident	84 Å²	84	62.1 Å²	62.1	69%	0.694	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-8	-178.9	0	0	0	0	0	115	Q534 F540	Q534-A538 VanDerWaalsContact O-CB 3.3Å; Q534-A538 WeakPolarHBondContact O-CB 3.16Å; Q534-A538 PolarHBondContact O-N 3.24Å; A538-F540 VanDerWaalsContact C-N 3.34Å
539	T	90.2	Very high	87.5	Confident	107 Å²	107	61.5 Å²	61.5	66%	0.656	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-8.2	171.8	58.2	0	0	0	0	113.7	A536 L537	A536-T539 PolarHBondContact O-OG1 2.82Å; L537-T539 PolarHBondContact O-N 3.47Å; L537-T539 VanDerWaalsContact O-N 3.1Å
540	F	91.6	Very high	88.2	Confident	32 Å²	32	58.9 Å²	58.9	14%	0.14	34%	0.343	C	S	.	.			trans	-113.2	101	-176.6	-59.4	-88.2	0	0	0	111.4	P518 E521 L522 L525 A536 L537 A538 L542 W545	P518-F540 HydrophobicContact CB-CD1 4.5Å; P518-F540 HydrophobicContact CB-CE1 4.38Å; P518-F540 WeakPolarHBondContact O-CE1 3.37Å; E521-F540 HydrophobicContact CB-CE1 4.07Å; E521-F540 HydrophobicContact CB-CZ 3.97Å; L522-F540 HydrophobicContact CB-CD1 4.08Å; L522-F540 HydrophobicContact CB-CE1 4.2Å; L522-F540 HydrophobicContact CB-CG 4.37Å; L522-F540 HydrophobicContact CD1-CB 4.16Å; L522-F540 HydrophobicContact CD1-CD1 4.47Å; L522-F540 HydrophobicContact CD1-CD2 3.87Å; L522-F540 HydrophobicContact CD1-CE2 4.4Å; L522-F540 HydrophobicContact CD1-CG 3.91Å; L522-F540 HydrophobicContact CD2-CB 4.37Å; L525-F540 HydrophobicContact CD1-CD2 4.38Å; L525-F540 HydrophobicContact CD1-CE2 3.6Å; L525-F540 HydrophobicContact CD1-CZ 4.21Å; A536-F540 WeakPolarHBondContact O-CD2 3.15Å; A536-F540 WeakPolarHBondContact O-CE2 3.43Å; L537-F540 PolarHBondContact O-N 3.3Å; L537-F540 VanDerWaalsContact O-N 3.09Å; A538-F540 VanDerWaalsContact C-N 3.34Å; F540-L542 HydrophobicContact CB-CD1 4.07Å; F540-L542 VanDerWaalsContact O-CD1 3.32Å; F540-L542 WeakPolarHBondContact O-CD1 3.35Å; F540-L542 PolarHBondContact O-N 3.34Å; F540-W545 HydrophobicContact CD1-CZ2 4.2Å
541	D	89.2	Confident	88.2	Confident	92 Å²	92	52.5 Å²	52.5	49%	0.492	31%	0.309	S	S	.	.			trans	-88.5	93.1	173.7	-176.7	5.9	0	0	0	111.7	S543 A544	D541-S543 PolarHBondContact O-N 2.92Å; D541-S543 WeakPolarHBondContact OD1-CA 3.38Å; D541-S543 VanDerWaalsContact OD1-CB 3.29Å; D541-S543 WeakPolarHBondContact OD1-CB 3.37Å; D541-S543 PolarHBondContact OD1-N 2.93Å; D541-S543 PolarHBondContact OD1-OG 3.32Å; D541-S543 PolarHBondContact OD2-OG 2.92Å; D541-A544 HydrophobicContact CB-CB 4.38Å; D541-A544 PolarHBondContact O-N 3.06Å
542	L	90.6	Very high	88.1	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.037	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.3	175.8	-72.8	70	0	0	0	112.9	L522 F540 A544 W545 F553 Y575 L578 F579	L522-L542 HydrophobicContact CD2-CD1 3.75Å; L522-L542 HydrophobicContact CD2-CD2 4.28Å; L522-L542 HydrophobicContact CD2-CG 4.3Å; F540-L542 HydrophobicContact CB-CD1 4.07Å; F540-L542 VanDerWaalsContact O-CD1 3.32Å; F540-L542 WeakPolarHBondContact O-CD1 3.35Å; F540-L542 PolarHBondContact O-N 3.34Å; L542-A544 VanDerWaalsContact C-N 3.33Å; L542-W545 HydrophobicContact CG-CD2 4.22Å; L542-W545 HydrophobicContact CG-CE3 3.94Å; L542-W545 HydrophobicContact CG-CZ3 4.07Å; L542-F553 HydrophobicContact CD2-CD1 4.26Å; L542-F553 HydrophobicContact CD2-CE1 4.29Å; L542-Y575 HydrophobicContact CD1-CE1 3.76Å; L542-Y575 HydrophobicContact CD2-CD1 3.91Å; L542-Y575 HydrophobicContact CD2-CE1 3.87Å; L542-Y575 HydrophobicContact CD2-CE2 4.46Å; L542-Y575 HydrophobicContact CD2-CG 4.25Å; L542-Y575 HydrophobicContact CG-CE1 4.38Å; L542-L578 HydrophobicContact CB-CD2 3.6Å; L542-F579 HydrophobicContact CD2-CE1 4.38Å
543	S	86.7	Confident	88.1	Confident	88 Å²	88	49.5 Å²	49.5	62%	0.615	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.3	173.8	79.8	0	0	0	0	113	D541	D541-S543 PolarHBondContact O-N 2.92Å; D541-S543 WeakPolarHBondContact OD1-CA 3.38Å; D541-S543 VanDerWaalsContact OD1-CB 3.29Å; D541-S543 WeakPolarHBondContact OD1-CB 3.37Å; D541-S543 PolarHBondContact OD1-N 2.93Å; D541-S543 PolarHBondContact OD1-OG 3.32Å; D541-S543 PolarHBondContact OD2-OG 2.92Å
544	A	87.4	Confident	88.3	Confident	77 Å²	77	44.6 Å²	44.6	64%	0.636	26%	0.263	S	S	*	.	S	Bend	trans	-92.1	-4.1	172.4	0	0	0	0	0	113.5	D541 L542	D541-A544 HydrophobicContact CB-CB 4.38Å; D541-A544 PolarHBondContact O-N 3.06Å; L542-A544 VanDerWaalsContact C-N 3.33Å
545	W	87.7	Confident	88.4	Confident	41 Å²	41	38.1 Å²	38.1	16%	0.155	23%	0.233	C	C	.	.	S	Bend	trans	-81.2	151.8	-178.4	-76.8	16.6	0	0	0	112.4	P518 V519 L522 F540 L542 Q549 V550 F553	P518-W545 HydrophobicContact CB-CZ2 4.12Å; V519-W545 HydrophobicContact CB-CH2 4.37Å; V519-W545 HydrophobicContact CG2-CE3 4.29Å; V519-W545 HydrophobicContact CG2-CH2 3.86Å; V519-W545 HydrophobicContact CG2-CZ2 4.42Å; V519-W545 HydrophobicContact CG2-CZ3 3.8Å; L522-W545 HydrophobicContact CB-CH2 4.18Å; L522-W545 HydrophobicContact CD2-CH2 3.5Å; L522-W545 VanDerWaalsContact CD2-CH2 3.5Å; L522-W545 HydrophobicContact CD2-CZ2 4.31Å; L522-W545 HydrophobicContact CD2-CZ3 3.99Å; L522-W545 HydrophobicContact CG-CH2 4.49Å; F540-W545 HydrophobicContact CD1-CZ2 4.2Å; L542-W545 HydrophobicContact CG-CD2 4.22Å; L542-W545 HydrophobicContact CG-CE3 3.94Å; L542-W545 HydrophobicContact CG-CZ3 4.07Å; W545-Q549 HydrophobicContact CB-CB 3.84Å; W545-Q549 HydrophobicContact CD2-CB 4Å; W545-Q549 HydrophobicContact CE3-CB 3.81Å; W545-Q549 HydrophobicContact CG-CB 4.06Å; W545-V550 HydrophobicContact CB-CG2 4.01Å; W545-V550 HydrophobicContact CE3-CG2 4.32Å; W545-F553 HydrophobicContact CZ3-CB 4.07Å; W545-F553 HydrophobicContact CZ3-CG 4.42Å
546	S	85.3	Confident	88.4	Confident	6 Å²	6	32.4 Å²	32.4	4%	0.042	20%	0.204	C	C	.	.			trans	-67.6	163	169.3	70.8	0	0	0	0	111.4	F548 Q549 V550	S546-F548 PolarHBondContact O-N 3.48Å; S546-Q549 PolarHBondContact O-N 3.24Å; S546-Q549 VanDerWaalsContact O-N 3.13Å; S546-Q549 PolarHBondContact OG-N 3.4Å; S546-V550 PolarHBondContact O-N 3.03Å
547	T	86.4	Confident	88.5	Confident	18 Å²	18	30.7 Å²	30.7	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-41.2	174.5	-59.1	0	0	0	0	110	E332 F333 Q549 V550 V551 N583 V586	E332-T547 WeakPolarHBondContact OE2-CA 3.4Å; E332-T547 WeakPolarHBondContact OE2-CB 2.79Å; E332-T547 PolarHBondContact OE2-N 3.45Å; E332-T547 PolarHBondContact OE2-OG1 3.44Å; F333-T547 HydrophobicContact CD2-CG2 4.33Å; F333-T547 HydrophobicContact CE2-CG2 3.86Å; T547-Q549 VanDerWaalsContact C-N 3.34Å; T547-Q549 PolarHBondContact O-N 2.91Å; T547-V550 PolarHBondContact O-N 3Å; T547-V551 HydrophobicContact CG2-CG2 4.23Å; T547-V551 WeakPolarHBondContact O-CB 3.32Å; T547-V551 WeakPolarHBondContact O-CG2 3.31Å; T547-V551 PolarHBondContact O-N 3.38Å; T547-N583 VanDerWaalsContact CG2-ND2 3.28Å; T547-N583 WeakPolarHBondContact CG2-ND2 3.39Å; T547-N583 PolarHBondContact OG1-ND2 3.39Å; T547-V586 HydrophobicContact CG2-CG2 4.02Å
548	F	85.1	Confident	88.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-28.8	179.4	-63.9	-66.8	0	0	0	114.2	E332 F333 I336 G390 L393 Y394 S546 L552	E332-F548 HydrophobicContact CB-CD2 4.17Å; E332-F548 HydrophobicContact CB-CE2 3.61Å; E332-F548 HydrophobicContact CB-CZ 4.36Å; E332-F548 WeakPolarHBondContact OE2-CD2 3.45Å; F333-F548 AromaticContact CD1-CE1 3.88Å; F333-F548 HydrophobicContact CD1-CE1 3.88Å; F333-F548 AromaticContact CD1-CZ 3.97Å; F333-F548 HydrophobicContact CD1-CZ 3.97Å; F333-F548 HydrophobicContact CD2-CE1 4.02Å; F333-F548 AromaticContact CD2-CZ 3.98Å; F333-F548 HydrophobicContact CD2-CZ 3.98Å; F333-F548 HydrophobicContact CE1-CD1 4.5Å; F333-F548 AromaticContact CE1-CE1 3.47Å; F333-F548 HydrophobicContact CE1-CE1 3.47Å; F333-F548 VanDerWaalsContact CE1-CE1 3.47Å; F333-F548 HydrophobicContact CE1-CZ 4.05Å; F333-F548 HydrophobicContact CE2-CD1 4.23Å; F333-F548 AromaticContact CE2-CE1 3.59Å; F333-F548 HydrophobicContact CE2-CE1 3.59Å; F333-F548 HydrophobicContact CE2-CZ 4.03Å; F333-F548 HydrophobicContact CG-CE1 4.16Å; F333-F548 AromaticContact CG-CZ 3.96Å; F333-F548 HydrophobicContact CG-CZ 3.96Å; F333-F548 HydrophobicContact CZ-CD1 4Å; F333-F548 AromaticContact CZ-CE1 3.31Å; F333-F548 HydrophobicContact CZ-CE1 3.31Å; F333-F548 HydrophobicContact CZ-CZ 4.08Å; I336-F548 HydrophobicContact CD1-CE2 3.62Å; I336-F548 HydrophobicContact CD1-CZ 3.61Å; G390-F548 VanDerWaalsContact C-CD2 3.44Å; G390-F548 WeakPolarHBondContact O-CD2 3.47Å; L393-F548 HydrophobicContact CB-CB 4.26Å; L393-F548 HydrophobicContact CD2-CB 4.1Å; L393-F548 HydrophobicContact CG-CB 4.25Å; Y394-F548 AromaticContact CD2-CD1 3.71Å; Y394-F548 HydrophobicContact CD2-CD1 3.71Å; Y394-F548 AromaticContact CD2-CE1 3.15Å; Y394-F548 HydrophobicContact CD2-CE1 3.15Å; Y394-F548 AromaticContact CD2-CZ 3.72Å; Y394-F548 HydrophobicContact CD2-CZ 3.72Å; Y394-F548 AromaticContact CE2-CE1 3.83Å; Y394-F548 HydrophobicContact CE2-CE1 3.83Å; Y394-F548 HydrophobicContact CE2-CZ 4.3Å; Y394-F548 HydrophobicContact CG-CD1 4.19Å; Y394-F548 AromaticContact CG-CE1 3.75Å; Y394-F548 HydrophobicContact CG-CE1 3.75Å; Y394-F548 AromaticContact CG-CZ 3.93Å; Y394-F548 HydrophobicContact CG-CZ 3.93Å; S546-F548 PolarHBondContact O-N 3.48Å; F548-L552 VanDerWaalsContact O-CB 3.28Å; F548-L552 WeakPolarHBondContact O-CB 3.23Å; F548-L552 PolarHBondContact O-N 2.97Å
549	Q	87.6	Confident	88.4	Confident	18 Å²	18	32 Å²	32	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-69.6	-43.3	173	-79.1	179.3	-67.6	0	0	111.7	L393 L515 V519 W545 S546 T547 F553	L393-Q549 HydrophobicContact CD2-CB 3.96Å; L393-Q549 HydrophobicContact CD2-CG 3.23Å; L515-Q549 PolarHBondContact O-NE2 2.9Å; V519-Q549 HydrophobicContact CG2-CB 4.14Å; V519-Q549 HydrophobicContact CG2-CG 4.18Å; W545-Q549 HydrophobicContact CB-CB 3.84Å; W545-Q549 HydrophobicContact CD2-CB 4Å; W545-Q549 HydrophobicContact CE3-CB 3.81Å; W545-Q549 HydrophobicContact CG-CB 4.06Å; S546-Q549 PolarHBondContact O-N 3.24Å; S546-Q549 VanDerWaalsContact O-N 3.13Å; S546-Q549 PolarHBondContact OG-N 3.4Å; T547-Q549 VanDerWaalsContact C-N 3.34Å; T547-Q549 PolarHBondContact O-N 2.91Å; Q549-F553 WeakPolarHBondContact O-CB 3.36Å; Q549-F553 PolarHBondContact O-N 2.81Å
550	V	90.3	Very high	88.2	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-38.3	176.5	-176.2	0	0	0	0	111.2	W545 S546 T547 F553 L554 F579 L582 V586	W545-V550 HydrophobicContact CB-CG2 4.01Å; W545-V550 HydrophobicContact CE3-CG2 4.32Å; S546-V550 PolarHBondContact O-N 3.03Å; T547-V550 PolarHBondContact O-N 3Å; V550-F553 PolarHBondContact O-N 3.36Å; V550-L554 HydrophobicContact CG1-CD1 4.19Å; V550-L554 WeakPolarHBondContact O-CG 3.18Å; V550-L554 PolarHBondContact O-N 3.18Å; V550-F579 HydrophobicContact CG1-CD1 4.02Å; V550-F579 HydrophobicContact CG1-CE1 3.62Å; V550-L582 HydrophobicContact CG1-CD1 4.23Å; V550-L582 HydrophobicContact CG2-CD1 4.46Å; V550-V586 HydrophobicContact CB-CG2 4.32Å; V550-V586 HydrophobicContact CG1-CG1 3.7Å; V550-V586 HydrophobicContact CG1-CG2 4.12Å
551	V	88.3	Confident	88.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-52.7	172.2	158	0	0	0	0	111.3	L397 T547 F553 L554 D555 E585 V586	L397-V551 HydrophobicContact CD2-CG1 3.79Å; T547-V551 HydrophobicContact CG2-CG2 4.23Å; T547-V551 WeakPolarHBondContact O-CB 3.32Å; T547-V551 WeakPolarHBondContact O-CG2 3.31Å; T547-V551 PolarHBondContact O-N 3.38Å; V551-F553 VanDerWaalsContact C-N 3.27Å; V551-F553 PolarHBondContact O-N 3.16Å; V551-L554 PolarHBondContact O-N 3.13Å; V551-L554 VanDerWaalsContact O-N 3.13Å; V551-D555 WeakPolarHBondContact CG1-OD2 3.32Å; V551-D555 PolarHBondContact O-N 2.76Å; V551-E585 HydrophobicContact CG2-CB 4.3Å; V551-V586 HydrophobicContact CG2-CG2 4.14Å
552	L	86.4	Confident	88.2	Confident	10 Å²	10	31.2 Å²	31.2	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-36.5	178.3	175.4	66.2	0	0	0	112.4	L393 L397 I516 V519 F548 R556	L393-L552 HydrophobicContact CD1-CD2 3.72Å; L393-L552 HydrophobicContact CD2-CD2 4.45Å; L393-L552 HydrophobicContact CG-CD2 4.39Å; L397-L552 HydrophobicContact CD1-CD1 3.75Å; I516-L552 HydrophobicContact CG1-CD2 4Å; I516-L552 HydrophobicContact CG2-CD2 4.48Å; V519-L552 HydrophobicContact CB-CD2 4.33Å; V519-L552 HydrophobicContact CG1-CB 4.31Å; V519-L552 HydrophobicContact CG1-CD2 3.98Å; V519-L552 HydrophobicContact CG1-CG 3.86Å; F548-L552 VanDerWaalsContact O-CB 3.28Å; F548-L552 WeakPolarHBondContact O-CB 3.23Å; F548-L552 PolarHBondContact O-N 2.97Å; L552-R556 HydrophobicContact CD1-CG 4.21Å; L552-R556 WeakPolarHBondContact O-CB 3.14Å; L552-R556 VanDerWaalsContact O-CD 3.31Å; L552-R556 WeakPolarHBondContact O-CD 3.44Å; L552-R556 WeakPolarHBondContact O-CG 3.48Å; L552-R556 PolarHBondContact O-N 3.09Å
553	F	90.8	Very high	88.3	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-50.9	173.1	172.6	-115	0	0	0	111.6	V519 L522 W526 L542 W545 Q549 V550 V551 R556 M557 L571 Y575 F579	V519-F553 HydrophobicContact CG1-CB 3.96Å; L522-F553 HydrophobicContact CB-CE2 4.41Å; L522-F553 HydrophobicContact CD2-CD2 3.93Å; L522-F553 HydrophobicContact CD2-CE1 4.45Å; L522-F553 HydrophobicContact CD2-CE2 3.74Å; L522-F553 HydrophobicContact CD2-CG 4.4Å; L522-F553 HydrophobicContact CD2-CZ 4.02Å; L522-F553 HydrophobicContact CG-CD2 4.16Å; L522-F553 HydrophobicContact CG-CE2 3.7Å; L522-F553 HydrophobicContact CG-CZ 4.22Å; W526-F553 AromaticContact CD1-CE2 3.85Å; W526-F553 AromaticContact CD1-CZ 3.72Å; W526-F553 HydrophobicContact CG-CZ 4.45Å; L542-F553 HydrophobicContact CD2-CD1 4.26Å; L542-F553 HydrophobicContact CD2-CE1 4.29Å; W545-F553 HydrophobicContact CZ3-CB 4.07Å; W545-F553 HydrophobicContact CZ3-CG 4.42Å; Q549-F553 WeakPolarHBondContact O-CB 3.36Å; Q549-F553 PolarHBondContact O-N 2.81Å; V550-F553 PolarHBondContact O-N 3.36Å; V551-F553 VanDerWaalsContact C-N 3.27Å; V551-F553 PolarHBondContact O-N 3.16Å; F553-R556 PolarHBondContact O-N 3.21Å; F553-M557 HydrophobicContact CD2-CG 4.2Å; F553-M557 HydrophobicContact CE2-CG 3.77Å; F553-M557 HydrophobicContact CE2-SD 4.31Å; F553-M557 HydrophobicContact CZ-CG 4.01Å; F553-M557 WeakPolarHBondContact O-CG 3.46Å; F553-M557 PolarHBondContact O-N 3.27Å; F553-L571 HydrophobicContact CZ-CD2 4.26Å; F553-Y575 HydrophobicContact CE1-CD2 4.43Å; F553-Y575 HydrophobicContact CE1-CE2 4.36Å; F553-Y575 HydrophobicContact CZ-CE2 4.33Å; F553-F579 HydrophobicContact CE1-CZ 4.36Å
554	L	92	Very high	88.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-40.4	-178.1	-70.7	172.3	0	0	0	112.7	V550 V551 R556 M557 L558 F579 V586 R589 W590 M593	V550-L554 HydrophobicContact CG1-CD1 4.19Å; V550-L554 WeakPolarHBondContact O-CG 3.18Å; V550-L554 PolarHBondContact O-N 3.18Å; V551-L554 PolarHBondContact O-N 3.13Å; V551-L554 VanDerWaalsContact O-N 3.13Å; L554-R556 VanDerWaalsContact C-N 3.34Å; L554-R556 PolarHBondContact O-N 2.87Å; L554-M557 PolarHBondContact O-N 3.23Å; L554-L558 WeakPolarHBondContact O-CB 3.45Å; L554-L558 WeakPolarHBondContact O-CG 3.45Å; L554-L558 PolarHBondContact O-N 3.29Å; L554-F579 HydrophobicContact CD1-CE1 4.39Å; L554-F579 HydrophobicContact CD1-CZ 4.4Å; L554-F579 HydrophobicContact CD2-CE2 3.82Å; L554-F579 HydrophobicContact CD2-CZ 3.85Å; L554-F579 HydrophobicContact CG-CZ 4.36Å; L554-V586 HydrophobicContact CD1-CG1 3.78Å; L554-V586 WeakPolarHBondContact CD1-O 3.49Å; L554-R589 HydrophobicContact CB-CB 3.78Å; L554-R589 HydrophobicContact CD1-CB 4.12Å; L554-W590 HydrophobicContact CD1-CB 4.24Å; L554-W590 HydrophobicContact CD2-CB 4.36Å; L554-W590 HydrophobicContact CD2-CE3 4.17Å; L554-M593 HydrophobicContact CD2-SD 3.78Å
555	D	87.6	Confident	89	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-44	175.1	-74.3	-31	0	0	0	111	V551 M557 L558 D559 R589	V551-D555 WeakPolarHBondContact CG1-OD2 3.32Å; V551-D555 PolarHBondContact O-N 2.76Å; D555-M557 VanDerWaalsContact C-N 3.31Å; D555-M557 PolarHBondContact O-N 3.31Å; D555-L558 WeakPolarHBondContact O-CB 3.28Å; D555-L558 PolarHBondContact O-N 3.46Å; D555-D559 PolarHBondContact O-N 2.82Å; D555-R589 WeakPolarHBondContact OD1-CD 3.42Å; D555-R589 IonicContact OD1-CZ 2.7Å; D555-R589 IonicContact OD1-NE 3.62Å; D555-R589 PolarHBondContact OD1-NE 3.02Å; D555-R589 IonicContact OD2-CZ 3.62Å; D555-R589 IonicContact OD2-NE 3.77Å; D555-R589 PolarHBondContact OD2-NE 2.8Å; D555-R589 IonicContact OD2-NH2 3.24Å
556	R	87.1	Confident	89.3	Confident	39 Å²	39	37.6 Å²	37.6	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-29.2	176.2	-75.2	170.4	157.1	-151.8	-22.3	114.2	C523 L552 F553 L554 H560	C523-R556 VanDerWaalsContact SG-CB 3.6Å; L552-R556 HydrophobicContact CD1-CG 4.21Å; L552-R556 WeakPolarHBondContact O-CB 3.14Å; L552-R556 VanDerWaalsContact O-CD 3.31Å; L552-R556 WeakPolarHBondContact O-CD 3.44Å; L552-R556 WeakPolarHBondContact O-CG 3.48Å; L552-R556 PolarHBondContact O-N 3.09Å; F553-R556 PolarHBondContact O-N 3.21Å; L554-R556 VanDerWaalsContact C-N 3.34Å; L554-R556 PolarHBondContact O-N 2.87Å; R556-H560 PolarHBondContact O-ND1 2.9Å
557	M	90.8	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-83.8	-25.7	174.4	-65.7	-56.3	-56.1	0	0	112.5	C523 W526 F553 L554 D555 H560 S561 L563 M593	C523-M557 HydrophobicContact CB-SD 4.43Å; W526-M557 HydrophobicContact CB-CE 3.61Å; W526-M557 HydrophobicContact CB-SD 3.88Å; F553-M557 HydrophobicContact CD2-CG 4.2Å; F553-M557 HydrophobicContact CE2-CG 3.77Å; F553-M557 HydrophobicContact CE2-SD 4.31Å; F553-M557 HydrophobicContact CZ-CG 4.01Å; F553-M557 WeakPolarHBondContact O-CG 3.46Å; F553-M557 PolarHBondContact O-N 3.27Å; L554-M557 PolarHBondContact O-N 3.23Å; D555-M557 VanDerWaalsContact C-N 3.31Å; D555-M557 PolarHBondContact O-N 3.31Å; M557-H560 PolarHBondContact O-N 3.11Å; M557-S561 PolarHBondContact O-N 3.1Å; M557-S561 PolarHBondContact O-OG 3.26Å; M557-S561 VanDerWaalsContact O-OG 3.09Å; M557-L563 HydrophobicContact CE-CD1 3.69Å; M557-L563 HydrophobicContact CE-CD2 4.06Å; M557-M593 HydrophobicContact CB-CE 3.6Å; M557-M593 HydrophobicContact CB-SD 3.83Å
558	L	88.9	Confident	90.2	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-43.3	168.7	-82.6	167	0	0	0	111.6	L554 D555 H560 S561 R589 Q592 M593	L554-L558 WeakPolarHBondContact O-CB 3.45Å; L554-L558 WeakPolarHBondContact O-CG 3.45Å; L554-L558 PolarHBondContact O-N 3.29Å; D555-L558 WeakPolarHBondContact O-CB 3.28Å; D555-L558 PolarHBondContact O-N 3.46Å; L558-H560 PolarHBondContact O-N 3.24Å; L558-H560 VanDerWaalsContact O-N 3.13Å; L558-S561 WeakPolarHBondContact O-CB 3.48Å; L558-S561 PolarHBondContact O-N 3.18Å; L558-S561 VanDerWaalsContact O-N 3.08Å; L558-R589 HydrophobicContact CD1-CB 3.84Å; L558-R589 HydrophobicContact CD1-CG 4.07Å; L558-Q592 HydrophobicContact CD1-CB 4.48Å; L558-Q592 HydrophobicContact CD2-CB 3.68Å; L558-M593 HydrophobicContact CD2-CB 4.27Å; L558-M593 HydrophobicContact CD2-CG 3.49Å; L558-M593 VanDerWaalsContact CD2-CG 3.49Å; L558-M593 HydrophobicContact CG-CG 3.66Å
559	D	85.8	Confident	90.7	Very high	112 Å²	112	37.9 Å²	37.9	60%	0.599	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.6	175.2	-68.5	-27.6	0	0	0	113.2	D555	D555-D559 PolarHBondContact O-N 2.82Å
560	H	86.9	Confident	91	Very high	82 Å²	82	38.1 Å²	38.1	38%	0.38	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	4.2	-177.3	-67.1	64.6	0	0	0	112.9	R527 R556 M557 L558 L563	R527-H560 PolarHBondContact NE-CE1 3.43Å; R527-H560 PolarHBondContact NE-NE2 2.69Å; R527-H560 VanDerWaalsContact NE-NE2 3.18Å; R527-H560 PolarHBondContact NH2-CE1 3.34Å; R556-H560 PolarHBondContact O-ND1 2.9Å; M557-H560 PolarHBondContact O-N 3.11Å; L558-H560 PolarHBondContact O-N 3.24Å; L558-H560 VanDerWaalsContact O-N 3.13Å; H560-L563 HydrophobicContact CB-CD2 4.14Å; H560-L563 VanDerWaalsContact O-CD2 3.31Å; H560-L563 WeakPolarHBondContact O-CD2 3.17Å
561	S	88.6	Confident	91.2	Very high	26 Å²	26	38.1 Å²	38.1	18%	0.182	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-80.8	140.9	177.3	-68	0	0	0	0	111.6	M557 L558 N597	M557-S561 PolarHBondContact O-N 3.1Å; M557-S561 PolarHBondContact O-OG 3.26Å; M557-S561 VanDerWaalsContact O-OG 3.09Å; L558-S561 WeakPolarHBondContact O-CB 3.48Å; L558-S561 PolarHBondContact O-N 3.18Å; L558-S561 VanDerWaalsContact O-N 3.08Å; S561-N597 WeakPolarHBondContact CB-ND2 3.18Å; S561-N597 PolarHBondContact OG-ND2 3.33Å
562	P	92.1	Very high	91.6	Very high	107 Å²	107	38.8 Å²	38.8	70%	0.695	21%	0.206	S	C	*	.	S	Bend	cis	-83.1	136.1	7.6	32.7	-35.3	0	0	0	114.4	N597	P562-N597 WeakPolarHBondContact CA-OD1 3.45Å
563	L	92.4	Very high	92	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.141	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-90.3	163.1	174	-56.5	171.4	0	0	0	110.9	M557 H560 V567 M568 L571 M593 N597	M557-L563 HydrophobicContact CE-CD1 3.69Å; M557-L563 HydrophobicContact CE-CD2 4.06Å; H560-L563 HydrophobicContact CB-CD2 4.14Å; H560-L563 VanDerWaalsContact O-CD2 3.31Å; H560-L563 WeakPolarHBondContact O-CD2 3.17Å; L563-V567 HydrophobicContact CB-CG1 4.44Å; L563-V567 HydrophobicContact CD1-CG1 4.46Å; L563-M568 HydrophobicContact CB-CG 4.19Å; L563-M568 HydrophobicContact CD1-SD 4.01Å; L563-L571 HydrophobicContact CD1-CD1 3.77Å; L563-M593 HydrophobicContact CD1-CE 3.74Å; L563-N597 WeakPolarHBondContact CB-OD1 3.46Å; L563-N597 PolarHBondContact N-OD1 2.85Å
564	P	94.1	Very high	92.1	Very high	59 Å²	59	44.9 Å²	44.9	38%	0.383	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-60.9	148.4	172.1	-22.5	34.1	0	0	0	113	E566 V567 M568	P564-E566 VanDerWaalsContact C-N 3.35Å; P564-E566 PolarHBondContact O-N 2.96Å; P564-V567 HydrophobicContact CB-CB 4.35Å; P564-V567 HydrophobicContact CB-CG2 3.99Å; P564-V567 HydrophobicContact CG-CG2 4.05Å; P564-V567 WeakPolarHBondContact O-CB 3.35Å; P564-V567 PolarHBondContact O-N 3.02Å; P564-V567 VanDerWaalsContact O-N 3.1Å; P564-M568 PolarHBondContact O-N 3.18Å
565	Y	94.7	Very high	92.2	Very high	139 Å²	139	45.7 Å²	45.7	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-42.8	-177.9	177.5	-93.3	0	0	0	113.2	V567 M568 A569 F599	Y565-V567 VanDerWaalsContact C-N 3.3Å; Y565-V567 PolarHBondContact O-N 3.25Å; Y565-M568 PolarHBondContact O-N 3.23Å; Y565-A569 HydrophobicContact CE1-CB 4.4Å; Y565-A569 WeakPolarHBondContact O-CB 3.44Å; Y565-A569 PolarHBondContact O-N 2.92Å; Y565-F599 HydrophobicContact CD2-CD2 4.1Å; Y565-F599 HydrophobicContact CD2-CE2 4.19Å; Y565-F599 AromaticContact CE2-CD2 3.84Å; Y565-F599 HydrophobicContact CE2-CD2 3.84Å; Y565-F599 AromaticContact CE2-CE2 3.67Å; Y565-F599 HydrophobicContact CE2-CE2 3.67Å
566	E	94.6	Very high	92.5	Very high	121 Å²	121	45.7 Å²	45.7	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-65.3	-34.3	178.8	-55	-55.5	150	0	0	112.1	P531 P564 A569 S570	P531-E566 HydrophobicContact CG-CB 3.76Å; P564-E566 VanDerWaalsContact C-N 3.35Å; P564-E566 PolarHBondContact O-N 2.96Å; E566-A569 PolarHBondContact O-N 3.39Å; E566-S570 WeakPolarHBondContact O-CB 3.36Å; E566-S570 PolarHBondContact O-N 3.11Å
567	V	94.4	Very high	92.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-45.1	175.3	177.4	0	0	0	0	109.9	W526 L563 P564 Y565 S570 L571	W526-V567 HydrophobicContact CE3-CG1 4.02Å; W526-V567 HydrophobicContact CZ3-CG1 4.48Å; L563-V567 HydrophobicContact CB-CG1 4.44Å; L563-V567 HydrophobicContact CD1-CG1 4.46Å; P564-V567 HydrophobicContact CB-CB 4.35Å; P564-V567 HydrophobicContact CB-CG2 3.99Å; P564-V567 HydrophobicContact CG-CG2 4.05Å; P564-V567 WeakPolarHBondContact O-CB 3.35Å; P564-V567 PolarHBondContact O-N 3.02Å; P564-V567 VanDerWaalsContact O-N 3.1Å; Y565-V567 VanDerWaalsContact C-N 3.3Å; Y565-V567 PolarHBondContact O-N 3.25Å; V567-S570 PolarHBondContact O-N 2.8Å; V567-L571 HydrophobicContact CG1-CD1 4.23Å; V567-L571 WeakPolarHBondContact O-CB 3.19Å; V567-L571 WeakPolarHBondContact O-CG 3.47Å; V567-L571 PolarHBondContact O-N 2.71Å
568	M	95.3	Very high	92.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-39	173.4	-79.7	-62.8	-58.3	0	0	113.3	L563 P564 Y565 L571 S572 W590 M593 V594 N597 F599	L563-M568 HydrophobicContact CB-CG 4.19Å; L563-M568 HydrophobicContact CD1-SD 4.01Å; P564-M568 PolarHBondContact O-N 3.18Å; Y565-M568 PolarHBondContact O-N 3.23Å; M568-L571 HydrophobicContact SD-CD1 4.1Å; M568-S572 VanDerWaalsContact O-CB 3.31Å; M568-S572 WeakPolarHBondContact O-CB 3.19Å; M568-S572 PolarHBondContact O-N 2.69Å; M568-W590 HydrophobicContact CE-CH2 3.92Å; M568-W590 HydrophobicContact CE-CZ3 4.18Å; M568-M593 HydrophobicContact CE-CB 4.45Å; M568-M593 HydrophobicContact SD-CE 4.13Å; M568-V594 HydrophobicContact CE-CG2 4.5Å; M568-N597 HydrophobicContact CE-CB 4.03Å; M568-N597 HydrophobicContact CG-CB 3.8Å; M568-N597 HydrophobicContact SD-CB 3.99Å; M568-N597 VanDerWaalsContact SD-CG 3.57Å; M568-F599 HydrophobicContact CB-CD2 3.79Å; M568-F599 HydrophobicContact CB-CE2 4.09Å; M568-F599 HydrophobicContact CB-CG 4.25Å; M568-F599 HydrophobicContact CE-CB 4.01Å; M568-F599 HydrophobicContact CE-CD1 4.3Å; M568-F599 HydrophobicContact CE-CG 4.12Å
569	A	95.8	Very high	93.1	Very high	29 Å²	29	49.6 Å²	49.6	24%	0.24	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-41.5	176.3	0	0	0	0	0	111.7	Y565 E566 A573 F599	Y565-A569 HydrophobicContact CE1-CB 4.4Å; Y565-A569 WeakPolarHBondContact O-CB 3.44Å; Y565-A569 PolarHBondContact O-N 2.92Å; E566-A569 PolarHBondContact O-N 3.39Å; A569-A573 WeakPolarHBondContact O-CB 3.35Å; A569-A573 PolarHBondContact O-N 3.04Å; A569-F599 HydrophobicContact CB-CE2 4.19Å; A569-F599 HydrophobicContact CB-CZ 4.33Å
570	S	95	Very high	93.4	Very high	22 Å²	22	48.1 Å²	48.1	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-45.8	175.3	-170.6	0	0	0	0	112.1	W526 E566 V567 S572 A573 C574	W526-S570 WeakPolarHBondContact CH2-OG 3.31Å; E566-S570 WeakPolarHBondContact O-CB 3.36Å; E566-S570 PolarHBondContact O-N 3.11Å; V567-S570 PolarHBondContact O-N 2.8Å; S570-S572 VanDerWaalsContact C-N 3.32Å; S570-S572 PolarHBondContact O-N 3.21Å; S570-A573 PolarHBondContact O-N 3.17Å; S570-C574 WeakPolarHBondContact O-CB 3.37Å; S570-C574 PolarHBondContact O-N 2.89Å; S570-C574 PolarHBondContact O-SG 2.67Å; S570-C574 VanDerWaalsContact O-SG 3.4Å
571	L	94.4	Very high	93.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-54	-47.2	172.7	-81.6	168.9	0	0	0	111.9	W526 F553 L563 V567 M568 C574 Y575 W590 M593	W526-L571 HydrophobicContact CD2-CD2 3.44Å; W526-L571 VanDerWaalsContact CD2-CD2 3.44Å; W526-L571 HydrophobicContact CD2-CG 3.98Å; W526-L571 HydrophobicContact CE3-CD1 4.39Å; W526-L571 HydrophobicContact CE3-CD2 3.63Å; W526-L571 HydrophobicContact CE3-CG 3.59Å; W526-L571 HydrophobicContact CG-CD2 3.94Å; W526-L571 HydrophobicContact CH2-CD2 4.01Å; W526-L571 HydrophobicContact CH2-CG 4.05Å; W526-L571 HydrophobicContact CZ2-CD2 3.85Å; W526-L571 HydrophobicContact CZ2-CG 4.41Å; W526-L571 HydrophobicContact CZ3-CB 4.37Å; W526-L571 HydrophobicContact CZ3-CD2 3.91Å; W526-L571 HydrophobicContact CZ3-CG 3.63Å; F553-L571 HydrophobicContact CZ-CD2 4.26Å; L563-L571 HydrophobicContact CD1-CD1 3.77Å; V567-L571 HydrophobicContact CG1-CD1 4.23Å; V567-L571 WeakPolarHBondContact O-CB 3.19Å; V567-L571 WeakPolarHBondContact O-CG 3.47Å; V567-L571 PolarHBondContact O-N 2.71Å; M568-L571 HydrophobicContact SD-CD1 4.1Å; L571-C574 PolarHBondContact O-N 3.18Å; L571-Y575 HydrophobicContact CD2-CD2 4.04Å; L571-Y575 HydrophobicContact CD2-CE2 4.05Å; L571-Y575 PolarHBondContact O-N 3.08Å; L571-W590 HydrophobicContact CB-CH2 4.03Å; L571-W590 HydrophobicContact CB-CZ3 4.14Å; L571-M593 HydrophobicContact CD1-CE 3.94Å
572	S	95.6	Very high	93.6	Very high	13 Å²	13	48.7 Å²	48.7	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-45.8	177.8	177.9	0	0	0	0	111.6	M568 S570 C574 S576 D602	M568-S572 VanDerWaalsContact O-CB 3.31Å; M568-S572 WeakPolarHBondContact O-CB 3.19Å; M568-S572 PolarHBondContact O-N 2.69Å; S570-S572 VanDerWaalsContact C-N 3.32Å; S570-S572 PolarHBondContact O-N 3.21Å; S572-C574 VanDerWaalsContact C-N 3.32Å; S572-C574 PolarHBondContact O-N 3.07Å; S572-S576 WeakPolarHBondContact O-CB 3.35Å; S572-S576 PolarHBondContact O-N 3.37Å; S572-S576 VanDerWaalsContact O-N 3.08Å; S572-S576 PolarHBondContact O-OG 3.05Å; S572-D602 VanDerWaalsContact CB-OD2 3.31Å; S572-D602 WeakPolarHBondContact CB-OD2 3.35Å; S572-D602 PolarHBondContact OG-OD2 2.75Å
573	A	94.4	Very high	93.6	Very high	88 Å²	88	44.3 Å²	44.3	73%	0.727	28%	0.275	S	S	*	.	H	α-helix	trans	-63.2	-35.4	177.9	0	0	0	0	0	113.2	A569 S570	A569-A573 WeakPolarHBondContact O-CB 3.35Å; A569-A573 PolarHBondContact O-N 3.04Å; S570-A573 PolarHBondContact O-N 3.17Å
574	C	93.3	Very high	93.5	Very high	52 Å²	52	43.1 Å²	43.1	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-76.9	-44.1	178.3	-71.5	0	0	0	0	113.4	W526 S570 L571 S572	W526-C574 HydrophobicContact CZ2-CB 4.43Å; S570-C574 WeakPolarHBondContact O-CB 3.37Å; S570-C574 PolarHBondContact O-N 2.89Å; S570-C574 PolarHBondContact O-SG 2.67Å; S570-C574 VanDerWaalsContact O-SG 3.4Å; L571-C574 PolarHBondContact O-N 3.18Å; S572-C574 VanDerWaalsContact C-N 3.32Å; S572-C574 PolarHBondContact O-N 3.07Å
575	Y	94.8	Very high	93.2	Very high	18 Å²	18	41.4 Å²	41.4	7%	0.071	26%	0.256	C	S	.	.	H	α-helix	trans	-129	-14.6	-161.3	-50	-53.1	0	0	0	116.6	W526 L542 F553 L571 A577 L578 F579	W526-Y575 AromaticContact CE2-CE2 3.71Å; W526-Y575 HydrophobicContact CZ2-CD2 4.43Å; W526-Y575 AromaticContact CZ2-CE2 3.53Å; W526-Y575 HydrophobicContact CZ2-CE2 3.53Å; W526-Y575 AromaticContact NE1-CE2 3.55Å; W526-Y575 AromaticContact NE1-CZ 3.95Å; W526-Y575 PolarHBondContact NE1-OH 3.49Å; L542-Y575 HydrophobicContact CD1-CE1 3.76Å; L542-Y575 HydrophobicContact CD2-CD1 3.91Å; L542-Y575 HydrophobicContact CD2-CE1 3.87Å; L542-Y575 HydrophobicContact CD2-CE2 4.46Å; L542-Y575 HydrophobicContact CD2-CG 4.25Å; L542-Y575 HydrophobicContact CG-CE1 4.38Å; F553-Y575 HydrophobicContact CE1-CD2 4.43Å; F553-Y575 HydrophobicContact CE1-CE2 4.36Å; F553-Y575 HydrophobicContact CZ-CE2 4.33Å; L571-Y575 HydrophobicContact CD2-CD2 4.04Å; L571-Y575 HydrophobicContact CD2-CE2 4.05Å; L571-Y575 PolarHBondContact O-N 3.08Å; Y575-A577 VanDerWaalsContact C-N 3.26Å; Y575-A577 PolarHBondContact O-N 2.89Å; Y575-L578 WeakPolarHBondContact O-CA 3.48Å; Y575-L578 WeakPolarHBondContact O-CB 3.44Å; Y575-L578 PolarHBondContact O-N 3.46Å; Y575-F579 VanDerWaalsContact CB-CE2 3.41Å; Y575-F579 HydrophobicContact CD2-CZ 4.28Å; Y575-F579 HydrophobicContact CG-CE2 4.39Å; Y575-F579 HydrophobicContact CG-CZ 4.04Å; Y575-F579 WeakPolarHBondContact O-CD2 3.34Å; Y575-F579 WeakPolarHBondContact O-CG 3.39Å; Y575-F579 PolarHBondContact O-N 3.41Å
576	S	93.1	Very high	93	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-37.7	-174.8	65.1	0	0	0	0	113.3	S572 L578 F579 D580 R605	S572-S576 WeakPolarHBondContact O-CB 3.35Å; S572-S576 PolarHBondContact O-N 3.37Å; S572-S576 VanDerWaalsContact O-N 3.08Å; S572-S576 PolarHBondContact O-OG 3.05Å; S576-L578 VanDerWaalsContact C-N 3.34Å; S576-F579 PolarHBondContact O-N 3.48Å; S576-D580 PolarHBondContact O-N 3.35Å; S576-D580 VanDerWaalsContact O-N 3.09Å; S576-R605 PolarHBondContact O-NH1 2.73Å; S576-R605 PolarHBondContact OG-NH2 2.97Å
577	A	93.1	Very high	93.1	Very high	81 Å²	81	30.3 Å²	30.3	67%	0.669	21%	0.209	S	C	*	.	H	α-helix	trans	-71.7	-24.3	176.6	0	0	0	0	0	113.9	Y575	Y575-A577 VanDerWaalsContact C-N 3.26Å; Y575-A577 PolarHBondContact O-N 2.89Å
578	L	93.4	Very high	93	Very high	51 Å²	51	30.6 Å²	30.6	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-74.4	-46.6	170.8	175.5	63.5	0	0	0	110	L542 Y575 S576 D580 G581 L582	L542-L578 HydrophobicContact CB-CD2 3.6Å; Y575-L578 WeakPolarHBondContact O-CA 3.48Å; Y575-L578 WeakPolarHBondContact O-CB 3.44Å; Y575-L578 PolarHBondContact O-N 3.46Å; S576-L578 VanDerWaalsContact C-N 3.34Å; L578-D580 PolarHBondContact O-N 3Å; L578-G581 PolarHBondContact O-N 2.89Å; L578-L582 HydrophobicContact CD1-CD1 4.41Å; L578-L582 HydrophobicContact CG-CD1 4.13Å; L578-L582 PolarHBondContact O-N 3.3Å
579	F	94.4	Very high	92.9	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-38.2	-178.4	-57.3	-30.4	0	0	0	112.8	L542 V550 F553 L554 Y575 S576 G581 L582 V586 Q587 W590	L542-F579 HydrophobicContact CD2-CE1 4.38Å; V550-F579 HydrophobicContact CG1-CD1 4.02Å; V550-F579 HydrophobicContact CG1-CE1 3.62Å; F553-F579 HydrophobicContact CE1-CZ 4.36Å; L554-F579 HydrophobicContact CD1-CE1 4.39Å; L554-F579 HydrophobicContact CD1-CZ 4.4Å; L554-F579 HydrophobicContact CD2-CE2 3.82Å; L554-F579 HydrophobicContact CD2-CZ 3.85Å; L554-F579 HydrophobicContact CG-CZ 4.36Å; Y575-F579 VanDerWaalsContact CB-CE2 3.41Å; Y575-F579 HydrophobicContact CD2-CZ 4.28Å; Y575-F579 HydrophobicContact CG-CE2 4.39Å; Y575-F579 HydrophobicContact CG-CZ 4.04Å; Y575-F579 WeakPolarHBondContact O-CD2 3.34Å; Y575-F579 WeakPolarHBondContact O-CG 3.39Å; Y575-F579 PolarHBondContact O-N 3.41Å; S576-F579 PolarHBondContact O-N 3.48Å; F579-G581 PolarHBondContact O-N 2.84Å; F579-L582 HydrophobicContact CD1-CD1 4.38Å; F579-L582 PolarHBondContact O-N 3.22Å; F579-L582 VanDerWaalsContact O-N 3.09Å; F579-V586 HydrophobicContact CB-CG1 4.1Å; F579-V586 HydrophobicContact CD1-CG1 3.72Å; F579-V586 HydrophobicContact CE1-CG1 4.5Å; F579-V586 HydrophobicContact CG-CG1 4.14Å; F579-Q587 WeakPolarHBondContact O-CG 3.4Å; F579-W590 HydrophobicContact CB-CB 4.39Å; F579-W590 HydrophobicContact CB-CG 4.34Å; F579-W590 HydrophobicContact CD2-CB 3.85Å; F579-W590 AromaticContact CD2-CD2 3.61Å; F579-W590 HydrophobicContact CD2-CD2 3.61Å; F579-W590 AromaticContact CD2-CE3 3.98Å; F579-W590 HydrophobicContact CD2-CE3 3.98Å; F579-W590 AromaticContact CD2-CG 3.53Å; F579-W590 HydrophobicContact CD2-CG 3.53Å; F579-W590 HydrophobicContact CE2-CB 4.49Å; F579-W590 AromaticContact CE2-CD2 3.94Å; F579-W590 HydrophobicContact CE2-CD2 3.94Å; F579-W590 AromaticContact CE2-CE3 3.8Å; F579-W590 HydrophobicContact CE2-CE3 3.8Å; F579-W590 HydrophobicContact CE2-CG 4.24Å; F579-W590 HydrophobicContact CE2-CZ3 4.4Å; F579-W590 HydrophobicContact CG-CB 4.36Å; F579-W590 HydrophobicContact CG-CG 4.33Å
580	D	90.4	Very high	92.9	Very high	82 Å²	82	30.4 Å²	30.4	44%	0.439	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.9	170.8	-90.6	34.9	0	0	0	113.5	S576 L578 Q587 R605	S576-D580 PolarHBondContact O-N 3.35Å; S576-D580 VanDerWaalsContact O-N 3.09Å; L578-D580 PolarHBondContact O-N 3Å; D580-Q587 PolarHBondContact O-NE2 3.37Å; D580-R605 WeakPolarHBondContact OD1-CD 3.47Å; D580-R605 IonicContact OD1-CZ 2.92Å; D580-R605 IonicContact OD1-NE 3.36Å; D580-R605 IonicContact OD1-NH1 3.04Å; D580-R605 PolarHBondContact OD1-NH1 3.1Å; D580-R605 IonicContact OD2-NH1 3.78Å; D580-R605 PolarHBondContact OD2-NH1 3.14Å
581	G	89.1	Confident	93	Very high	67 Å²	67	29.6 Å²	29.6	69%	0.691	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.4	179.4	0	0	0	0	0	114.6	L578 F579	L578-G581 PolarHBondContact O-N 2.89Å; F579-G581 PolarHBondContact O-N 2.84Å
582	L	91.4	Very high	93	Very high	53 Å²	53	30.4 Å²	30.4	28%	0.277	20%	0.201	S	C	.	.	S	Bend	trans	-93.5	176	178.2	-67.1	172.4	0	0	0	111.1	V550 L578 F579 V586 Q587	V550-L582 HydrophobicContact CG1-CD1 4.23Å; V550-L582 HydrophobicContact CG2-CD1 4.46Å; L578-L582 HydrophobicContact CD1-CD1 4.41Å; L578-L582 HydrophobicContact CG-CD1 4.13Å; L578-L582 PolarHBondContact O-N 3.3Å; F579-L582 HydrophobicContact CD1-CD1 4.38Å; F579-L582 PolarHBondContact O-N 3.22Å; F579-L582 VanDerWaalsContact O-N 3.09Å; L582-V586 HydrophobicContact CB-CB 3.95Å; L582-V586 HydrophobicContact CB-CG1 3.97Å; L582-V586 HydrophobicContact CB-CG2 4.17Å; L582-V586 HydrophobicContact CD1-CG1 3.91Å; L582-V586 HydrophobicContact CD1-CG2 4.36Å; L582-Q587 PolarHBondContact O-NE2 3.25Å
583	N	91.1	Very high	93	Very high	14 Å²	14	29.9 Å²	29.9	8%	0.075	20%	0.197	C	C	.	.			trans	-77.4	167.3	-173.9	61.8	80	0	0	0	113.2	E329 T547 E585 V586 Q587	E329-N583 HydrophobicContact CB-CB 3.81Å; T547-N583 VanDerWaalsContact CG2-ND2 3.28Å; T547-N583 WeakPolarHBondContact CG2-ND2 3.39Å; T547-N583 PolarHBondContact OG1-ND2 3.39Å; N583-E585 PolarHBondContact O-N 2.91Å; N583-E585 WeakPolarHBondContact OD1-CB 3.32Å; N583-E585 PolarHBondContact OD1-N 2.8Å; N583-V586 PolarHBondContact O-N 3.46Å; N583-Q587 PolarHBondContact O-N 2.9Å; N583-Q587 VanDerWaalsContact O-N 3.14Å
584	A	90.5	Very high	93.1	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-48	-34.6	-178.1	0	0	0	0	0	115.8	E329 V586 Q587 I588 F609 Y618	E329-A584 PolarHBondContact OE2-N 2.72Å; A584-V586 VanDerWaalsContact C-N 3.33Å; A584-V586 PolarHBondContact O-N 3.46Å; A584-Q587 PolarHBondContact O-N 2.81Å; A584-I588 WeakPolarHBondContact O-CB 3.31Å; A584-I588 VanDerWaalsContact O-CG2 3.23Å; A584-I588 WeakPolarHBondContact O-CG2 3.24Å; A584-I588 PolarHBondContact O-N 3.16Å; A584-F609 HydrophobicContact CB-CE2 4.41Å; A584-Y618 HydrophobicContact CB-CD1 4.37Å; A584-Y618 HydrophobicContact CB-CD2 3.97Å; A584-Y618 HydrophobicContact CB-CE1 4.01Å; A584-Y618 HydrophobicContact CB-CE2 3.56Å; A584-Y618 HydrophobicContact CB-CG 4.37Å
585	E	87.8	Confident	93.3	Very high	24 Å²	24	23.3 Å²	23.3	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-67.3	-31.4	-179.9	-64.2	-63	150.4	0	0	113.3	F333 V551 N583 I588 R589 Y618	F333-E585 HydrophobicContact CD2-CG 4Å; F333-E585 HydrophobicContact CE1-CG 4.37Å; F333-E585 HydrophobicContact CE2-CB 3.78Å; F333-E585 HydrophobicContact CE2-CG 3.57Å; F333-E585 HydrophobicContact CZ-CB 4.06Å; F333-E585 HydrophobicContact CZ-CG 3.76Å; V551-E585 HydrophobicContact CG2-CB 4.3Å; N583-E585 PolarHBondContact O-N 2.91Å; N583-E585 WeakPolarHBondContact OD1-CB 3.32Å; N583-E585 PolarHBondContact OD1-N 2.8Å; E585-I588 WeakPolarHBondContact O-CG2 3.45Å; E585-R589 WeakPolarHBondContact O-CD 3.48Å; E585-R589 WeakPolarHBondContact O-CG 3.25Å; E585-R589 PolarHBondContact O-NH1 3.34Å; E585-R589 IonicContact OE2-CZ 3.73Å; E585-R589 IonicContact OE2-NH1 2.69Å; E585-R589 PolarHBondContact OE2-NH1 2.98Å; E585-Y618 WeakPolarHBondContact OE1-CE1 3.38Å; E585-Y618 VanDerWaalsContact OE1-CZ 3.27Å; E585-Y618 PolarHBondContact OE1-OH 2.93Å
586	V	91.9	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-79.3	-44	172.9	174.7	0	0	0	0	109.9	T547 V550 V551 L554 F579 L582 N583 A584 R589 W590	T547-V586 HydrophobicContact CG2-CG2 4.02Å; V550-V586 HydrophobicContact CB-CG2 4.32Å; V550-V586 HydrophobicContact CG1-CG1 3.7Å; V550-V586 HydrophobicContact CG1-CG2 4.12Å; V551-V586 HydrophobicContact CG2-CG2 4.14Å; L554-V586 HydrophobicContact CD1-CG1 3.78Å; L554-V586 WeakPolarHBondContact CD1-O 3.49Å; F579-V586 HydrophobicContact CB-CG1 4.1Å; F579-V586 HydrophobicContact CD1-CG1 3.72Å; F579-V586 HydrophobicContact CE1-CG1 4.5Å; F579-V586 HydrophobicContact CG-CG1 4.14Å; L582-V586 HydrophobicContact CB-CB 3.95Å; L582-V586 HydrophobicContact CB-CG1 3.97Å; L582-V586 HydrophobicContact CB-CG2 4.17Å; L582-V586 HydrophobicContact CD1-CG1 3.91Å; L582-V586 HydrophobicContact CD1-CG2 4.36Å; N583-V586 PolarHBondContact O-N 3.46Å; A584-V586 VanDerWaalsContact C-N 3.33Å; A584-V586 PolarHBondContact O-N 3.46Å; V586-R589 PolarHBondContact O-N 3.44Å; V586-W590 PolarHBondContact O-N 3.36Å
587	Q	95.1	Very high	93.3	Very high	27 Å²	27	26.9 Å²	26.9	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-46.6	-178.8	-65.5	-169.9	19.5	0	0	112	F579 D580 L582 N583 A584 R589 W590 L591 F609	F579-Q587 WeakPolarHBondContact O-CG 3.4Å; D580-Q587 PolarHBondContact O-NE2 3.37Å; L582-Q587 PolarHBondContact O-NE2 3.25Å; N583-Q587 PolarHBondContact O-N 2.9Å; N583-Q587 VanDerWaalsContact O-N 3.14Å; A584-Q587 PolarHBondContact O-N 2.81Å; Q587-R589 PolarHBondContact O-N 3.21Å; Q587-W590 PolarHBondContact O-N 2.8Å; Q587-L591 WeakPolarHBondContact O-CB 3.13Å; Q587-L591 WeakPolarHBondContact O-CG 3.45Å; Q587-L591 PolarHBondContact O-N 2.88Å; Q587-F609 HydrophobicContact CB-CD2 3.9Å; Q587-F609 HydrophobicContact CB-CE2 3.6Å; Q587-F609 HydrophobicContact CB-CZ 4.45Å
588	I	93.6	Very high	93.5	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-56.5	-48.2	179.9	-176.6	55.7	0	0	0	111.4	A584 E585 L591 Q592 F609 Y618 L622	A584-I588 WeakPolarHBondContact O-CB 3.31Å; A584-I588 VanDerWaalsContact O-CG2 3.23Å; A584-I588 WeakPolarHBondContact O-CG2 3.24Å; A584-I588 PolarHBondContact O-N 3.16Å; E585-I588 WeakPolarHBondContact O-CG2 3.45Å; I588-L591 PolarHBondContact O-N 3.22Å; I588-Q592 HydrophobicContact CD1-CG 4.16Å; I588-Q592 HydrophobicContact CG1-CG 4.45Å; I588-Q592 WeakPolarHBondContact O-CG 3.03Å; I588-Q592 PolarHBondContact O-N 3.49Å; I588-F609 HydrophobicContact CB-CE1 4.36Å; I588-F609 HydrophobicContact CB-CZ 4.06Å; I588-F609 HydrophobicContact CD1-CE1 4.02Å; I588-Y618 HydrophobicContact CB-CD1 4.24Å; I588-Y618 WeakPolarHBondContact CD1-O 3.37Å; I588-Y618 HydrophobicContact CG2-CD1 4.23Å; I588-L622 HydrophobicContact CD1-CB 3.75Å; I588-L622 HydrophobicContact CD1-CD2 4.09Å; I588-L622 HydrophobicContact CD1-CG 4.38Å
589	R	93.2	Very high	93.6	Very high	25 Å²	25	23.1 Å²	23.1	9%	0.094	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-44.6	-177.4	-68.6	168.6	171.4	80	-1.2	112.3	L554 D555 L558 E585 V586 Q587 L591 Q592 M593	L554-R589 HydrophobicContact CB-CB 3.78Å; L554-R589 HydrophobicContact CD1-CB 4.12Å; D555-R589 WeakPolarHBondContact OD1-CD 3.42Å; D555-R589 IonicContact OD1-CZ 2.7Å; D555-R589 IonicContact OD1-NE 3.62Å; D555-R589 PolarHBondContact OD1-NE 3.02Å; D555-R589 IonicContact OD2-CZ 3.62Å; D555-R589 IonicContact OD2-NE 3.77Å; D555-R589 PolarHBondContact OD2-NE 2.8Å; D555-R589 IonicContact OD2-NH2 3.24Å; L558-R589 HydrophobicContact CD1-CB 3.84Å; L558-R589 HydrophobicContact CD1-CG 4.07Å; E585-R589 WeakPolarHBondContact O-CD 3.48Å; E585-R589 WeakPolarHBondContact O-CG 3.25Å; E585-R589 PolarHBondContact O-NH1 3.34Å; E585-R589 IonicContact OE2-CZ 3.73Å; E585-R589 IonicContact OE2-NH1 2.69Å; E585-R589 PolarHBondContact OE2-NH1 2.98Å; V586-R589 PolarHBondContact O-N 3.44Å; Q587-R589 PolarHBondContact O-N 3.21Å; R589-L591 VanDerWaalsContact C-N 3.33Å; R589-L591 PolarHBondContact O-N 3.47Å; R589-Q592 PolarHBondContact O-N 2.71Å; R589-M593 PolarHBondContact O-N 3.36Å
590	W	95.8	Very high	93.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-41.8	173.1	173.3	-118.3	0	0	0	112.1	L554 M568 L571 F579 V586 Q587 M593 V594 D602	L554-W590 HydrophobicContact CD1-CB 4.24Å; L554-W590 HydrophobicContact CD2-CB 4.36Å; L554-W590 HydrophobicContact CD2-CE3 4.17Å; M568-W590 HydrophobicContact CE-CH2 3.92Å; M568-W590 HydrophobicContact CE-CZ3 4.18Å; L571-W590 HydrophobicContact CB-CH2 4.03Å; L571-W590 HydrophobicContact CB-CZ3 4.14Å; F579-W590 HydrophobicContact CB-CB 4.39Å; F579-W590 HydrophobicContact CB-CG 4.34Å; F579-W590 HydrophobicContact CD2-CB 3.85Å; F579-W590 AromaticContact CD2-CD2 3.61Å; F579-W590 HydrophobicContact CD2-CD2 3.61Å; F579-W590 AromaticContact CD2-CE3 3.98Å; F579-W590 HydrophobicContact CD2-CE3 3.98Å; F579-W590 AromaticContact CD2-CG 3.53Å; F579-W590 HydrophobicContact CD2-CG 3.53Å; F579-W590 HydrophobicContact CE2-CB 4.49Å; F579-W590 AromaticContact CE2-CD2 3.94Å; F579-W590 HydrophobicContact CE2-CD2 3.94Å; F579-W590 AromaticContact CE2-CE3 3.8Å; F579-W590 HydrophobicContact CE2-CE3 3.8Å; F579-W590 HydrophobicContact CE2-CG 4.24Å; F579-W590 HydrophobicContact CE2-CZ3 4.4Å; F579-W590 HydrophobicContact CG-CB 4.36Å; F579-W590 HydrophobicContact CG-CG 4.33Å; V586-W590 PolarHBondContact O-N 3.36Å; Q587-W590 PolarHBondContact O-N 2.8Å; W590-M593 HydrophobicContact CE3-CB 4.32Å; W590-M593 HydrophobicContact CE3-SD 4.01Å; W590-M593 HydrophobicContact CZ3-CE 4.3Å; W590-M593 HydrophobicContact CZ3-SD 4.25Å; W590-M593 WeakPolarHBondContact O-CB 3.45Å; W590-M593 PolarHBondContact O-N 3.3Å; W590-M593 VanDerWaalsContact O-N 3.14Å; W590-V594 HydrophobicContact CD2-CG2 4.28Å; W590-V594 HydrophobicContact CZ2-CG2 3.9Å; W590-V594 WeakPolarHBondContact O-CG2 3.26Å; W590-V594 PolarHBondContact O-N 2.75Å; W590-D602 WeakPolarHBondContact CZ2-OD2 3.37Å
591	L	96.5	Very high	93.9	Very high	4 Å²	4	29 Å²	29	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-72	-30.9	-179.4	-64.5	173.3	0	0	0	112.7	Q587 I588 R589 M593 V594 V595 R605 V606 F609 L622	Q587-L591 WeakPolarHBondContact O-CB 3.13Å; Q587-L591 WeakPolarHBondContact O-CG 3.45Å; Q587-L591 PolarHBondContact O-N 2.88Å; I588-L591 PolarHBondContact O-N 3.22Å; R589-L591 VanDerWaalsContact C-N 3.33Å; R589-L591 PolarHBondContact O-N 3.47Å; L591-M593 VanDerWaalsContact C-N 3.35Å; L591-V594 PolarHBondContact O-N 2.82Å; L591-V595 WeakPolarHBondContact O-CG2 3.25Å; L591-V595 PolarHBondContact O-N 3.23Å; L591-R605 HydrophobicContact CD2-CB 3.59Å; L591-V606 HydrophobicContact CB-CG2 4.33Å; L591-V606 HydrophobicContact CD2-CG2 3.82Å; L591-F609 HydrophobicContact CD1-CB 3.35Å; L591-F609 HydrophobicContact CD1-CD1 3.79Å; L591-F609 HydrophobicContact CD1-CD2 3.84Å; L591-F609 HydrophobicContact CD1-CG 3.39Å; L591-L622 HydrophobicContact CB-CD1 4.15Å; L591-L622 HydrophobicContact CB-CD2 4.13Å
592	Q	95.3	Very high	94.2	Very high	20 Å²	20	26.3 Å²	26.3	9%	0.093	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-38.9	167.5	-71.5	-174.8	-90.7	0	0	111.3	L558 I588 R589 V595 R596 L622 D625	L558-Q592 HydrophobicContact CD1-CB 4.48Å; L558-Q592 HydrophobicContact CD2-CB 3.68Å; I588-Q592 HydrophobicContact CD1-CG 4.16Å; I588-Q592 HydrophobicContact CG1-CG 4.45Å; I588-Q592 WeakPolarHBondContact O-CG 3.03Å; I588-Q592 PolarHBondContact O-N 3.49Å; R589-Q592 PolarHBondContact O-N 2.71Å; Q592-V595 PolarHBondContact O-N 2.78Å; Q592-R596 VanDerWaalsContact O-CB 3.29Å; Q592-R596 WeakPolarHBondContact O-CB 3.25Å; Q592-R596 VanDerWaalsContact O-CG 3.23Å; Q592-R596 WeakPolarHBondContact O-CG 3.22Å; Q592-R596 PolarHBondContact O-N 2.88Å; Q592-L622 HydrophobicContact CG-CD1 4.09Å; Q592-D625 WeakPolarHBondContact CB-OD2 3.37Å; Q592-D625 VanDerWaalsContact CG-OD2 3.24Å; Q592-D625 WeakPolarHBondContact CG-OD2 3.22Å; Q592-D625 PolarHBondContact NE2-OD2 3.15Å
593	M	95.2	Very high	94.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-51.5	170.6	-66.3	-178.2	65.6	0	0	110.4	L554 M557 L558 L563 M568 L571 R589 W590 L591 V595 R596 N597	L554-M593 HydrophobicContact CD2-SD 3.78Å; M557-M593 HydrophobicContact CB-CE 3.6Å; M557-M593 HydrophobicContact CB-SD 3.83Å; L558-M593 HydrophobicContact CD2-CB 4.27Å; L558-M593 HydrophobicContact CD2-CG 3.49Å; L558-M593 VanDerWaalsContact CD2-CG 3.49Å; L558-M593 HydrophobicContact CG-CG 3.66Å; L563-M593 HydrophobicContact CD1-CE 3.74Å; M568-M593 HydrophobicContact CE-CB 4.45Å; M568-M593 HydrophobicContact SD-CE 4.13Å; L571-M593 HydrophobicContact CD1-CE 3.94Å; R589-M593 PolarHBondContact O-N 3.36Å; W590-M593 HydrophobicContact CE3-CB 4.32Å; W590-M593 HydrophobicContact CE3-SD 4.01Å; W590-M593 HydrophobicContact CZ3-CE 4.3Å; W590-M593 HydrophobicContact CZ3-SD 4.25Å; W590-M593 WeakPolarHBondContact O-CB 3.45Å; W590-M593 PolarHBondContact O-N 3.3Å; W590-M593 VanDerWaalsContact O-N 3.14Å; L591-M593 VanDerWaalsContact C-N 3.35Å; M593-V595 PolarHBondContact O-N 2.71Å; M593-R596 PolarHBondContact O-N 3.3Å; M593-N597 VanDerWaalsContact O-CB 3.23Å; M593-N597 WeakPolarHBondContact O-CB 3.32Å; M593-N597 PolarHBondContact O-N 2.77Å; M593-N597 PolarHBondContact O-ND2 3.23Å
594	V	96.3	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-52.7	-42.4	178.7	170.4	0	0	0	0	111.8	M568 W590 L591 T598 F599 D602 V606	M568-V594 HydrophobicContact CE-CG2 4.5Å; W590-V594 HydrophobicContact CD2-CG2 4.28Å; W590-V594 HydrophobicContact CZ2-CG2 3.9Å; W590-V594 WeakPolarHBondContact O-CG2 3.26Å; W590-V594 PolarHBondContact O-N 2.75Å; L591-V594 PolarHBondContact O-N 2.82Å; V594-T598 PolarHBondContact O-N 2.93Å; V594-F599 HydrophobicContact CG1-CB 4.38Å; V594-F599 WeakPolarHBondContact CG1-O 3.44Å; V594-F599 PolarHBondContact O-N 3.3Å; V594-D602 HydrophobicContact CB-CB 4.48Å; V594-D602 HydrophobicContact CG1-CB 3.81Å; V594-D602 HydrophobicContact CG2-CB 3.75Å; V594-V606 HydrophobicContact CB-CG2 4.33Å; V594-V606 HydrophobicContact CG1-CG2 3.8Å
595	V	96.3	Very high	94.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-73.7	-50.2	178.9	172.8	0	0	0	0	112.6	L591 Q592 M593 N597 T598 V606 L622 D625 L626 M631	L591-V595 WeakPolarHBondContact O-CG2 3.25Å; L591-V595 PolarHBondContact O-N 3.23Å; Q592-V595 PolarHBondContact O-N 2.78Å; M593-V595 PolarHBondContact O-N 2.71Å; V595-N597 PolarHBondContact O-N 3.23Å; V595-T598 PolarHBondContact O-N 2.74Å; V595-V606 HydrophobicContact CG2-CG1 3.92Å; V595-V606 HydrophobicContact CG2-CG2 3.93Å; V595-L622 HydrophobicContact CB-CD1 4.38Å; V595-L622 HydrophobicContact CG2-CD1 3.78Å; V595-D625 HydrophobicContact CB-CB 4.44Å; V595-D625 VanDerWaalsContact CG1-C 3.48Å; V595-D625 HydrophobicContact CG1-CB 3.8Å; V595-L626 HydrophobicContact CB-CD2 4.41Å; V595-L626 HydrophobicContact CG1-CB 4.33Å; V595-L626 HydrophobicContact CG1-CD2 3.81Å; V595-L626 HydrophobicContact CG1-CG 3.91Å; V595-L626 HydrophobicContact CG2-CD2 3.62Å; V595-L626 HydrophobicContact CG2-CG 3.96Å; V595-M631 HydrophobicContact CG1-SD 4.44Å; V595-M631 HydrophobicContact CG2-SD 4.38Å
596	R	95	Very high	95.3	Very high	78 Å²	78	29.5 Å²	29.5	29%	0.294	14%	0.144	S	C	.	.	H	α-helix	trans	-59.7	-33.3	179.2	-71.4	172.4	178.7	-146.5	-14.7	112.4	Q592 M593 T598 D625	Q592-R596 VanDerWaalsContact O-CB 3.29Å; Q592-R596 WeakPolarHBondContact O-CB 3.25Å; Q592-R596 VanDerWaalsContact O-CG 3.23Å; Q592-R596 WeakPolarHBondContact O-CG 3.22Å; Q592-R596 PolarHBondContact O-N 2.88Å; M593-R596 PolarHBondContact O-N 3.3Å; R596-T598 VanDerWaalsContact C-N 3.34Å; R596-D625 HydrophobicContact CG-CB 4.43Å; R596-D625 IonicContact CZ-OD1 2.74Å; R596-D625 VanDerWaalsContact CZ-OD1 3.27Å; R596-D625 IonicContact CZ-OD2 3.34Å; R596-D625 IonicContact NE-OD1 3.3Å; R596-D625 PolarHBondContact NE-OD1 3.19Å; R596-D625 IonicContact NE-OD2 3.17Å; R596-D625 PolarHBondContact NE-OD2 3.39Å; R596-D625 IonicContact NH2-OD1 2.92Å; R596-D625 PolarHBondContact NH2-OD1 2.9Å; R596-D625 IonicContact NH2-OD2 2.69Å; R596-D625 PolarHBondContact NH2-OD2 3.41Å
597	N	94.8	Very high	95.6	Very high	24 Å²	24	32.7 Å²	32.7	13%	0.128	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.8	176.2	-70	-89.6	0	0	0	113.7	S561 P562 L563 M568 M593 V595 F599	S561-N597 WeakPolarHBondContact CB-ND2 3.18Å; S561-N597 PolarHBondContact OG-ND2 3.33Å; P562-N597 WeakPolarHBondContact CA-OD1 3.45Å; L563-N597 WeakPolarHBondContact CB-OD1 3.46Å; L563-N597 PolarHBondContact N-OD1 2.85Å; M568-N597 HydrophobicContact CE-CB 4.03Å; M568-N597 HydrophobicContact CG-CB 3.8Å; M568-N597 HydrophobicContact SD-CB 3.99Å; M568-N597 VanDerWaalsContact SD-CG 3.57Å; M593-N597 VanDerWaalsContact O-CB 3.23Å; M593-N597 WeakPolarHBondContact O-CB 3.32Å; M593-N597 PolarHBondContact O-N 2.77Å; M593-N597 PolarHBondContact O-ND2 3.23Å; V595-N597 PolarHBondContact O-N 3.23Å; N597-F599 HydrophobicContact CB-CB 4.41Å; N597-F599 PolarHBondContact O-N 3.33Å
598	T	95.4	Very high	95.6	Very high	46 Å²	46	34.3 Å²	34.3	28%	0.282	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	35.5	-175.4	-45.7	0	0	0	0	112.5	V594 V595 R596 Y600 V630 M631	V594-T598 PolarHBondContact O-N 2.93Å; V595-T598 PolarHBondContact O-N 2.74Å; R596-T598 VanDerWaalsContact C-N 3.34Å; T598-Y600 HydrophobicContact CG2-CD2 4.5Å; T598-Y600 HydrophobicContact CG2-CE2 3.67Å; T598-Y600 VanDerWaalsContact O-CD2 3.28Å; T598-Y600 WeakPolarHBondContact O-CD2 3.49Å; T598-Y600 PolarHBondContact O-N 2.98Å; T598-V630 HydrophobicContact CG2-CG2 3.44Å; T598-V630 VanDerWaalsContact CG2-CG2 3.44Å; T598-M631 HydrophobicContact CG2-CE 3.99Å
599	F	95.9	Very high	95.7	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.031	17%	0.174	C	C	.	.			trans	-83.3	82.6	-170.7	-172	-108.3	0	0	0	111.7	Y565 M568 A569 V594 N597 P601 D602	Y565-F599 HydrophobicContact CD2-CD2 4.1Å; Y565-F599 HydrophobicContact CD2-CE2 4.19Å; Y565-F599 AromaticContact CE2-CD2 3.84Å; Y565-F599 HydrophobicContact CE2-CD2 3.84Å; Y565-F599 AromaticContact CE2-CE2 3.67Å; Y565-F599 HydrophobicContact CE2-CE2 3.67Å; M568-F599 HydrophobicContact CB-CD2 3.79Å; M568-F599 HydrophobicContact CB-CE2 4.09Å; M568-F599 HydrophobicContact CB-CG 4.25Å; M568-F599 HydrophobicContact CE-CB 4.01Å; M568-F599 HydrophobicContact CE-CD1 4.3Å; M568-F599 HydrophobicContact CE-CG 4.12Å; A569-F599 HydrophobicContact CB-CE2 4.19Å; A569-F599 HydrophobicContact CB-CZ 4.33Å; V594-F599 HydrophobicContact CG1-CB 4.38Å; V594-F599 WeakPolarHBondContact CG1-O 3.44Å; V594-F599 PolarHBondContact O-N 3.3Å; N597-F599 HydrophobicContact CB-CB 4.41Å; N597-F599 PolarHBondContact O-N 3.33Å; F599-P601 VanDerWaalsContact C-N 3.34Å; F599-P601 HydrophobicContact CD1-CB 4.41Å; F599-P601 HydrophobicContact CD1-CG 4.46Å; F599-P601 HydrophobicContact CD2-CG 4.44Å; F599-P601 HydrophobicContact CE1-CB 3.78Å; F599-P601 HydrophobicContact CE1-CG 3.96Å; F599-P601 HydrophobicContact CE2-CG 3.94Å; F599-P601 HydrophobicContact CZ-CB 3.9Å; F599-P601 HydrophobicContact CZ-CG 3.67Å; F599-P601 WeakPolarHBondContact O-CD 3.17Å; F599-P601 VanDerWaalsContact O-N 3.14Å; F599-D602 HydrophobicContact CD1-CB 4.11Å; F599-D602 HydrophobicContact CE1-CB 4.34Å; F599-D602 WeakPolarHBondContact CE1-OD2 3.3Å; F599-D602 PolarHBondContact O-N 3.38Å
600	Y	95.3	Very high	95.8	Very high	139 Å²	139	33.2 Å²	33.2	55%	0.545	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-49.1	-34.8	-176.6	-66.1	-77.2	0	0	0	117.3	T598 D602 L603 M631	T598-Y600 HydrophobicContact CG2-CD2 4.5Å; T598-Y600 HydrophobicContact CG2-CE2 3.67Å; T598-Y600 VanDerWaalsContact O-CD2 3.28Å; T598-Y600 WeakPolarHBondContact O-CD2 3.49Å; T598-Y600 PolarHBondContact O-N 2.98Å; Y600-D602 VanDerWaalsContact C-N 3.29Å; Y600-D602 PolarHBondContact O-N 3.47Å; Y600-L603 HydrophobicContact CD1-CD2 4.12Å; Y600-L603 WeakPolarHBondContact O-CB 3.5Å; Y600-L603 PolarHBondContact O-N 2.76Å; Y600-L603 VanDerWaalsContact O-N 3.17Å; Y600-M631 HydrophobicContact CD1-CE 3.97Å; Y600-M631 HydrophobicContact CE1-CE 3.9Å; Y600-M631 HydrophobicContact CG-CE 4.48Å
601	P	96.5	Very high	95.7	Very high	69 Å²	69	36.5 Å²	36.5	45%	0.448	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-57.8	-35.6	-178.4	-28.2	37.1	0	0	0	114.7	F599 P604	F599-P601 VanDerWaalsContact C-N 3.34Å; F599-P601 HydrophobicContact CD1-CB 4.41Å; F599-P601 HydrophobicContact CD1-CG 4.46Å; F599-P601 HydrophobicContact CD2-CG 4.44Å; F599-P601 HydrophobicContact CE1-CB 3.78Å; F599-P601 HydrophobicContact CE1-CG 3.96Å; F599-P601 HydrophobicContact CE2-CG 3.94Å; F599-P601 HydrophobicContact CZ-CB 3.9Å; F599-P601 HydrophobicContact CZ-CG 3.67Å; F599-P601 WeakPolarHBondContact O-CD 3.17Å; F599-P601 VanDerWaalsContact O-N 3.14Å; P601-P604 VanDerWaalsContact O-CD 3.32Å; P601-P604 WeakPolarHBondContact O-CD 3.3Å
602	D	96.2	Very high	95.4	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.053	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-97.9	4.8	179.5	-74.3	-35.9	0	0	0	114.1	S572 W590 V594 F599 Y600 R605 V606	S572-D602 VanDerWaalsContact CB-OD2 3.31Å; S572-D602 WeakPolarHBondContact CB-OD2 3.35Å; S572-D602 PolarHBondContact OG-OD2 2.75Å; W590-D602 WeakPolarHBondContact CZ2-OD2 3.37Å; V594-D602 HydrophobicContact CB-CB 4.48Å; V594-D602 HydrophobicContact CG1-CB 3.81Å; V594-D602 HydrophobicContact CG2-CB 3.75Å; F599-D602 HydrophobicContact CD1-CB 4.11Å; F599-D602 HydrophobicContact CE1-CB 4.34Å; F599-D602 WeakPolarHBondContact CE1-OD2 3.3Å; F599-D602 PolarHBondContact O-N 3.38Å; Y600-D602 VanDerWaalsContact C-N 3.29Å; Y600-D602 PolarHBondContact O-N 3.47Å; D602-R605 HydrophobicContact CB-CG 4.45Å; D602-R605 VanDerWaalsContact O-CB 3.31Å; D602-R605 WeakPolarHBondContact O-CB 3.41Å; D602-R605 PolarHBondContact O-N 2.73Å; D602-R605 IonicContact OD1-CZ 3.19Å; D602-R605 IonicContact OD1-NE 3.51Å; D602-R605 PolarHBondContact OD1-NE 2.74Å; D602-R605 IonicContact OD1-NH2 2.79Å; D602-R605 PolarHBondContact OD1-NH2 3.44Å; D602-R605 VanDerWaalsContact OD1-NH2 3.13Å; D602-V606 PolarHBondContact O-N 3.09Å
603	L	95.3	Very high	95.2	Very high	20 Å²	20	40.5 Å²	40.5	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-53.7	-30.1	171.7	-171.1	62.4	0	0	0	114.6	Y600 R605 V606 R607 M631 V634	Y600-L603 HydrophobicContact CD1-CD2 4.12Å; Y600-L603 WeakPolarHBondContact O-CB 3.5Å; Y600-L603 PolarHBondContact O-N 2.76Å; Y600-L603 VanDerWaalsContact O-N 3.17Å; L603-R605 VanDerWaalsContact C-N 3.27Å; L603-R605 PolarHBondContact O-N 2.77Å; L603-V606 HydrophobicContact CD1-CB 4.25Å; L603-V606 HydrophobicContact CD1-CG2 4.41Å; L603-V606 PolarHBondContact O-N 3.24Å; L603-R607 PolarHBondContact O-N 2.95Å; L603-R607 VanDerWaalsContact O-N 3.11Å; L603-M631 HydrophobicContact CD1-CE 4.09Å; L603-M631 HydrophobicContact CD1-SD 3.76Å; L603-M631 HydrophobicContact CD2-CE 4.42Å; L603-V634 HydrophobicContact CD1-CG1 4.2Å; L603-V634 HydrophobicContact CD2-CG2 4.17Å
604	P	96.2	Very high	94.9	Very high	83 Å²	83	41.8 Å²	41.8	54%	0.539	21%	0.21	S	C	.	.	H	α-helix	trans	-60.1	-31.8	169.8	-26.1	37.1	0	0	0	114	P601 R607 A608	P601-P604 VanDerWaalsContact O-CD 3.32Å; P601-P604 WeakPolarHBondContact O-CD 3.3Å; P604-R607 PolarHBondContact O-N 3.47Å; P604-A608 WeakPolarHBondContact O-CB 3.46Å; P604-A608 PolarHBondContact O-N 2.94Å
605	R	96.2	Very high	94.6	Very high	56 Å²	56	41.8 Å²	41.8	21%	0.211	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-43.6	176.7	-53.9	179.5	-164.9	-110	4.5	111.2	S576 D580 L591 D602 L603 R607 A608 F609	S576-R605 PolarHBondContact O-NH1 2.73Å; S576-R605 PolarHBondContact OG-NH2 2.97Å; D580-R605 WeakPolarHBondContact OD1-CD 3.47Å; D580-R605 IonicContact OD1-CZ 2.92Å; D580-R605 IonicContact OD1-NE 3.36Å; D580-R605 IonicContact OD1-NH1 3.04Å; D580-R605 PolarHBondContact OD1-NH1 3.1Å; D580-R605 IonicContact OD2-NH1 3.78Å; D580-R605 PolarHBondContact OD2-NH1 3.14Å; L591-R605 HydrophobicContact CD2-CB 3.59Å; D602-R605 HydrophobicContact CB-CG 4.45Å; D602-R605 VanDerWaalsContact O-CB 3.31Å; D602-R605 WeakPolarHBondContact O-CB 3.41Å; D602-R605 PolarHBondContact O-N 2.73Å; D602-R605 IonicContact OD1-CZ 3.19Å; D602-R605 IonicContact OD1-NE 3.51Å; D602-R605 PolarHBondContact OD1-NE 2.74Å; D602-R605 IonicContact OD1-NH2 2.79Å; D602-R605 PolarHBondContact OD1-NH2 3.44Å; D602-R605 VanDerWaalsContact OD1-NH2 3.13Å; L603-R605 VanDerWaalsContact C-N 3.27Å; L603-R605 PolarHBondContact O-N 2.77Å; R605-R607 PolarHBondContact O-N 2.77Å; R605-A608 PolarHBondContact O-N 3.25Å; R605-A608 VanDerWaalsContact O-N 3.12Å; R605-F609 WeakPolarHBondContact O-CB 3.43Å; R605-F609 PolarHBondContact O-N 3.45Å
606	V	96.4	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-54	-45.5	173.3	-178.4	0	0	0	0	110.1	L591 V594 V595 D602 L603 L610 L622 L626	L591-V606 HydrophobicContact CB-CG2 4.33Å; L591-V606 HydrophobicContact CD2-CG2 3.82Å; V594-V606 HydrophobicContact CB-CG2 4.33Å; V594-V606 HydrophobicContact CG1-CG2 3.8Å; V595-V606 HydrophobicContact CG2-CG1 3.92Å; V595-V606 HydrophobicContact CG2-CG2 3.93Å; D602-V606 PolarHBondContact O-N 3.09Å; L603-V606 HydrophobicContact CD1-CB 4.25Å; L603-V606 HydrophobicContact CD1-CG2 4.41Å; L603-V606 PolarHBondContact O-N 3.24Å; V606-L610 HydrophobicContact CG1-CD1 4.35Å; V606-L610 WeakPolarHBondContact O-CG 3.4Å; V606-L610 PolarHBondContact O-N 3.33Å; V606-L610 VanDerWaalsContact O-N 3.16Å; V606-L622 HydrophobicContact CG1-CD1 4.39Å; V606-L622 HydrophobicContact CG1-CD2 4.17Å; V606-L622 HydrophobicContact CG1-CG 4.31Å; V606-L626 HydrophobicContact CG1-CD1 4.22Å; V606-L626 HydrophobicContact CG1-CD2 4.32Å
607	R	96.6	Very high	93.8	Very high	67 Å²	67	43.1 Å²	43.1	25%	0.253	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-47.9	175.3	-75.2	168.9	171.2	-89.2	4.1	112.6	L603 P604 R605 H611 V634 E637 I638	L603-R607 PolarHBondContact O-N 2.95Å; L603-R607 VanDerWaalsContact O-N 3.11Å; P604-R607 PolarHBondContact O-N 3.47Å; R605-R607 PolarHBondContact O-N 2.77Å; R607-H611 PolarHBondContact O-N 3.01Å; R607-H611 VanDerWaalsContact O-N 3.11Å; R607-H611 PolarHBondContact O-ND1 3.18Å; R607-V634 HydrophobicContact CG-CG1 4.25Å; R607-E637 IonicContact CZ-OE1 2.81Å; R607-E637 IonicContact CZ-OE2 3.44Å; R607-E637 VanDerWaalsContact NH1-CD 3.25Å; R607-E637 IonicContact NH1-OE1 3.49Å; R607-E637 PolarHBondContact NH1-OE1 3.12Å; R607-E637 IonicContact NH1-OE2 3.27Å; R607-E637 PolarHBondContact NH1-OE2 2.72Å; R607-E637 IonicContact NH2-OE1 2.85Å; R607-E637 IonicContact NH2-OE2 2.97Å; R607-E637 PolarHBondContact NH2-OE2 3.31Å; R607-I638 HydrophobicContact CB-CD1 4.45Å; R607-I638 HydrophobicContact CG-CD1 3.82Å; R607-I638 HydrophobicContact CG-CG1 4.22Å
608	A	96.1	Very high	93.5	Very high	61 Å²	61	42.5 Å²	42.5	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-43.7	-179.7	0	0	0	0	0	112.2	P604 R605 H611 K612	P604-A608 WeakPolarHBondContact O-CB 3.46Å; P604-A608 PolarHBondContact O-N 2.94Å; R605-A608 PolarHBondContact O-N 3.25Å; R605-A608 VanDerWaalsContact O-N 3.12Å; A608-H611 PolarHBondContact O-N 3.27Å; A608-K612 PolarHBondContact O-N 3.04Å
609	F	95.4	Very high	93.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-48.7	178.2	-175.7	-99.4	0	0	0	112.3	A584 Q587 I588 L591 R605 H611 K612 H613 Y618 L622	A584-F609 HydrophobicContact CB-CE2 4.41Å; Q587-F609 HydrophobicContact CB-CD2 3.9Å; Q587-F609 HydrophobicContact CB-CE2 3.6Å; Q587-F609 HydrophobicContact CB-CZ 4.45Å; I588-F609 HydrophobicContact CB-CE1 4.36Å; I588-F609 HydrophobicContact CB-CZ 4.06Å; I588-F609 HydrophobicContact CD1-CE1 4.02Å; L591-F609 HydrophobicContact CD1-CB 3.35Å; L591-F609 HydrophobicContact CD1-CD1 3.79Å; L591-F609 HydrophobicContact CD1-CD2 3.84Å; L591-F609 HydrophobicContact CD1-CG 3.39Å; R605-F609 WeakPolarHBondContact O-CB 3.43Å; R605-F609 PolarHBondContact O-N 3.45Å; F609-H611 PolarHBondContact O-N 2.9Å; F609-K612 PolarHBondContact O-N 3.23Å; F609-H613 AromaticContact CD2-CD2 3.4Å; F609-H613 WeakPolarHBondContact CD2-CD2 3.32Å; F609-H613 AromaticContact CD2-NE2 3.72Å; F609-H613 AromaticContact CE2-CD2 3.29Å; F609-H613 WeakPolarHBondContact CE2-CD2 3.49Å; F609-H613 AromaticContact CE2-NE2 3.44Å; F609-H613 WeakPolarHBondContact CE2-NE2 3.45Å; F609-H613 AromaticContact CG-CD2 3.97Å; F609-H613 AromaticContact CZ-CD2 3.8Å; F609-H613 PolarHBondContact O-CD2 2.79Å; F609-H613 PolarHBondContact O-N 3.21Å; F609-Y618 HydrophobicContact CZ-CG 4.13Å; F609-L622 HydrophobicContact CD1-CD2 3.81Å; F609-L622 HydrophobicContact CE1-CD2 4.22Å
610	L	95.4	Very high	93.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-70.5	-13.7	176.9	-68.5	176.8	0	0	0	114	V606 T619 L622 Y623 L626 I638	V606-L610 HydrophobicContact CG1-CD1 4.35Å; V606-L610 WeakPolarHBondContact O-CG 3.4Å; V606-L610 PolarHBondContact O-N 3.33Å; V606-L610 VanDerWaalsContact O-N 3.16Å; L610-T619 HydrophobicContact CD2-CG2 4.09Å; L610-L622 HydrophobicContact CD1-CD2 4.1Å; L610-L622 HydrophobicContact CD1-CG 4.25Å; L610-L622 HydrophobicContact CD2-CB 4.4Å; L610-L622 HydrophobicContact CD2-CD2 3.92Å; L610-L622 HydrophobicContact CD2-CG 4.45Å; L610-L622 HydrophobicContact CG-CD2 3.86Å; L610-L622 HydrophobicContact CG-CG 4.5Å; L610-Y623 HydrophobicContact CD1-CD2 4.13Å; L610-Y623 HydrophobicContact CD1-CE2 3.83Å; L610-Y623 HydrophobicContact CD2-CD2 4.09Å; L610-Y623 HydrophobicContact CD2-CE2 3.92Å; L610-Y623 HydrophobicContact CG-CE2 4.37Å; L610-L626 HydrophobicContact CD1-CD1 3.81Å; L610-I638 HydrophobicContact CB-CD1 4.48Å; L610-I638 HydrophobicContact CB-CG2 3.8Å; L610-I638 HydrophobicContact CD1-CD1 3.94Å; L610-I638 HydrophobicContact CD1-CG2 4.48Å
611	H	93.5	Very high	93	Very high	71 Å²	71	34.4 Å²	34.4	33%	0.329	18%	0.178	S	C	.	.	H	α-helix	trans	-84.8	-30.6	166.4	-80.7	74.8	0	0	0	112.8	R607 A608 F609 Q641 R645	R607-H611 PolarHBondContact O-N 3.01Å; R607-H611 VanDerWaalsContact O-N 3.11Å; R607-H611 PolarHBondContact O-ND1 3.18Å; A608-H611 PolarHBondContact O-N 3.27Å; F609-H611 PolarHBondContact O-N 2.9Å; H611-Q641 PolarHBondContact CE1-OE1 3.01Å; H611-Q641 PolarHBondContact NE2-OE1 3.46Å; H611-R645 PolarHBondContact O-NH1 3.48Å; H611-R645 PolarHBondContact O-NH2 3.28Å
612	K	91.1	Very high	93	Very high	96 Å²	96	31.1 Å²	31.1	42%	0.417	16%	0.157	S	C	.	.	H	α-helix	trans	-74.8	-57	177	178.8	-177.2	166	-138.8	0	111	E329 A608 F609 R645	E329-K612 VanDerWaalsContact CD-NZ 3.32Å; E329-K612 WeakPolarHBondContact OE1-CE 3.44Å; E329-K612 IonicContact OE1-NZ 3.42Å; E329-K612 PolarHBondContact OE1-NZ 3.06Å; E329-K612 IonicContact OE2-NZ 2.7Å; E329-K612 PolarHBondContact OE2-NZ 3.16Å; A608-K612 PolarHBondContact O-N 3.04Å; F609-K612 PolarHBondContact O-N 3.23Å; K612-R645 PolarHBondContact O-NH2 2.89Å
613	H	89.8	Confident	92.9	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.056	16%	0.155	C	C	.	.			trans	-91.3	137.6	-168.8	-64.5	-88.8	0	0	0	113.4	E329 F609 Y618	E329-H613 IonicContact OE1-CE1 3.42Å; E329-H613 PolarHBondContact OE1-CE1 3.49Å; E329-H613 IonicContact OE2-CE1 3.96Å; F609-H613 AromaticContact CD2-CD2 3.4Å; F609-H613 WeakPolarHBondContact CD2-CD2 3.32Å; F609-H613 AromaticContact CD2-NE2 3.72Å; F609-H613 AromaticContact CE2-CD2 3.29Å; F609-H613 WeakPolarHBondContact CE2-CD2 3.49Å; F609-H613 AromaticContact CE2-NE2 3.44Å; F609-H613 WeakPolarHBondContact CE2-NE2 3.45Å; F609-H613 AromaticContact CG-CD2 3.97Å; F609-H613 AromaticContact CZ-CD2 3.8Å; F609-H613 PolarHBondContact O-CD2 2.79Å; F609-H613 PolarHBondContact O-N 3.21Å; H613-Y618 HydrophobicContact CB-CD2 4.43Å; H613-Y618 AromaticContact ND1-CD2 3.84Å
614	T	89.9	Confident	92.9	Very high	28 Å²	28	32.9 Å²	32.9	17%	0.172	16%	0.164	C	C	.	.			trans	-122.6	5.5	179.2	55.4	0	0	0	0	113.6	R645 L646 L650	T614-R645 HydrophobicContact CG2-CB 4.29Å; T614-R645 WeakPolarHBondContact CG2-O 3.38Å; T614-L646 HydrophobicContact CG2-CD2 3.98Å; T614-L650 WeakPolarHBondContact O-CD2 3.5Å
615	S	89.4	Confident	92.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	14%	0.143	C	C	.	.			trans	-74.9	144.5	175.1	177.2	0	0	0	0	111.9	P308 M617 Y618 T619	P308-S615 VanDerWaalsContact O-CA 3.24Å; P308-S615 WeakPolarHBondContact O-CA 3.14Å; P308-S615 WeakPolarHBondContact O-CB 3.22Å; S615-M617 PolarHBondContact O-N 3.02Å; S615-M617 PolarHBondContact OG-N 3.27Å; S615-Y618 PolarHBondContact O-N 2.84Å; S615-T619 WeakPolarHBondContact O-CB 3.24Å; S615-T619 WeakPolarHBondContact O-CG2 3.48Å; S615-T619 PolarHBondContact O-N 2.97Å; S615-T619 VanDerWaalsContact O-N 3.14Å; S615-T619 PolarHBondContact O-OG1 3.26Å
616	R	90.1	Very high	92.7	Very high	87 Å²	87	27.2 Å²	27.2	33%	0.328	13%	0.133	S	C	.	.	H	α-helix	trans	-51.9	-44.7	171.7	-176.3	-171.4	171.6	-160.4	-5.8	110.7	Y618 T619 V620 L650	R616-Y618 VanDerWaalsContact C-N 3.26Å; R616-Y618 PolarHBondContact O-N 2.78Å; R616-T619 PolarHBondContact O-N 3.34Å; R616-T619 PolarHBondContact O-OG1 3.21Å; R616-V620 HydrophobicContact CG-CB 4.39Å; R616-V620 HydrophobicContact CG-CG2 3.65Å; R616-V620 PolarHBondContact O-N 3.42Å; R616-L650 HydrophobicContact CB-CD1 4.24Å; R616-L650 HydrophobicContact CG-CD1 4.28Å
617	M	83.9	Confident	92.7	Very high	20 Å²	20	28.7 Å²	28.7	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-48.9	-44.2	-176.9	-64.3	-59.1	-74.7	0	0	113.7	V313 S615 P621 V709 N710	V313-M617 HydrophobicContact CG2-CE 4.28Å; S615-M617 PolarHBondContact O-N 3.02Å; S615-M617 PolarHBondContact OG-N 3.27Å; M617-P621 WeakPolarHBondContact O-CD 3.27Å; M617-V709 HydrophobicContact CE-CG1 3.46Å; M617-V709 VanDerWaalsContact CE-CG1 3.46Å; M617-V709 HydrophobicContact SD-CG1 4.41Å; M617-N710 HydrophobicContact CE-CB 4.47Å; M617-N710 WeakPolarHBondContact CE-O 3.47Å; M617-N710 HydrophobicContact SD-CB 3.82Å
618	Y	89.4	Confident	92.4	Very high	12 Å²	12	29.9 Å²	29.9	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-102.2	-16.2	-173	-54.6	-42.8	0	0	0	113.5	A584 E585 I588 F609 H613 S615 R616	A584-Y618 HydrophobicContact CB-CD1 4.37Å; A584-Y618 HydrophobicContact CB-CD2 3.97Å; A584-Y618 HydrophobicContact CB-CE1 4.01Å; A584-Y618 HydrophobicContact CB-CE2 3.56Å; A584-Y618 HydrophobicContact CB-CG 4.37Å; E585-Y618 WeakPolarHBondContact OE1-CE1 3.38Å; E585-Y618 VanDerWaalsContact OE1-CZ 3.27Å; E585-Y618 PolarHBondContact OE1-OH 2.93Å; I588-Y618 HydrophobicContact CB-CD1 4.24Å; I588-Y618 WeakPolarHBondContact CD1-O 3.37Å; I588-Y618 HydrophobicContact CG2-CD1 4.23Å; F609-Y618 HydrophobicContact CZ-CG 4.13Å; H613-Y618 HydrophobicContact CB-CD2 4.43Å; H613-Y618 AromaticContact ND1-CD2 3.84Å; S615-Y618 PolarHBondContact O-N 2.84Å; R616-Y618 VanDerWaalsContact C-N 3.26Å; R616-Y618 PolarHBondContact O-N 2.78Å
619	T	91.9	Very high	92	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-93.1	-46.4	-179.4	52.8	0	0	0	0	111.8	L610 S615 R616 L622 Y623	L610-T619 HydrophobicContact CD2-CG2 4.09Å; S615-T619 WeakPolarHBondContact O-CB 3.24Å; S615-T619 WeakPolarHBondContact O-CG2 3.48Å; S615-T619 PolarHBondContact O-N 2.97Å; S615-T619 VanDerWaalsContact O-N 3.14Å; S615-T619 PolarHBondContact O-OG1 3.26Å; R616-T619 PolarHBondContact O-N 3.34Å; R616-T619 PolarHBondContact O-OG1 3.21Å; T619-L622 PolarHBondContact O-N 3.13Å; T619-Y623 WeakPolarHBondContact O-CB 3.42Å; T619-Y623 VanDerWaalsContact O-CD2 3.26Å; T619-Y623 WeakPolarHBondContact O-CD2 3.28Å; T619-Y623 PolarHBondContact O-N 3.46Å
620	V	92.9	Very high	91.7	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-54.6	-173.6	170.8	0	0	0	0	112.8	R616 L622 Y623 E624 L650 T653 L654 I657	R616-V620 HydrophobicContact CG-CB 4.39Å; R616-V620 HydrophobicContact CG-CG2 3.65Å; R616-V620 PolarHBondContact O-N 3.42Å; V620-L622 VanDerWaalsContact C-N 3.3Å; V620-L622 PolarHBondContact O-N 3.04Å; V620-Y623 PolarHBondContact O-N 3.27Å; V620-Y623 VanDerWaalsContact O-N 3.13Å; V620-E624 VanDerWaalsContact CG1-CD 3.49Å; V620-E624 HydrophobicContact CG1-CG 4.33Å; V620-E624 VanDerWaalsContact CG1-OE1 3.24Å; V620-E624 WeakPolarHBondContact CG1-OE1 3.31Å; V620-E624 WeakPolarHBondContact O-CG 3.38Å; V620-E624 PolarHBondContact O-N 2.9Å; V620-L650 HydrophobicContact CG2-CD1 3.74Å; V620-T653 HydrophobicContact CG2-CG2 4.05Å; V620-L654 HydrophobicContact CG2-CD2 4.03Å; V620-I657 HydrophobicContact CG1-CD1 4.09Å
621	P	91.7	Very high	91.5	Very high	14 Å²	14	33.1 Å²	33.1	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-37.5	-176.4	-23.1	34.3	0	0	0	113.3	M617 E624 D625 V709	M617-P621 WeakPolarHBondContact O-CD 3.27Å; P621-E624 PolarHBondContact O-N 3.19Å; P621-D625 PolarHBondContact O-N 3.46Å; P621-V709 HydrophobicContact CG-CG2 3.76Å
622	L	94.5	Very high	91.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-73.7	-32.8	-180	-165.6	54.8	0	0	0	112.1	I588 L591 Q592 V595 V606 F609 L610 T619 V620 L626	I588-L622 HydrophobicContact CD1-CB 3.75Å; I588-L622 HydrophobicContact CD1-CD2 4.09Å; I588-L622 HydrophobicContact CD1-CG 4.38Å; L591-L622 HydrophobicContact CB-CD1 4.15Å; L591-L622 HydrophobicContact CB-CD2 4.13Å; Q592-L622 HydrophobicContact CG-CD1 4.09Å; V595-L622 HydrophobicContact CB-CD1 4.38Å; V595-L622 HydrophobicContact CG2-CD1 3.78Å; V606-L622 HydrophobicContact CG1-CD1 4.39Å; V606-L622 HydrophobicContact CG1-CD2 4.17Å; V606-L622 HydrophobicContact CG1-CG 4.31Å; F609-L622 HydrophobicContact CD1-CD2 3.81Å; F609-L622 HydrophobicContact CE1-CD2 4.22Å; L610-L622 HydrophobicContact CD1-CD2 4.1Å; L610-L622 HydrophobicContact CD1-CG 4.25Å; L610-L622 HydrophobicContact CD2-CB 4.4Å; L610-L622 HydrophobicContact CD2-CD2 3.92Å; L610-L622 HydrophobicContact CD2-CG 4.45Å; L610-L622 HydrophobicContact CG-CD2 3.86Å; L610-L622 HydrophobicContact CG-CG 4.5Å; T619-L622 PolarHBondContact O-N 3.13Å; V620-L622 VanDerWaalsContact C-N 3.3Å; V620-L622 PolarHBondContact O-N 3.04Å; L622-L626 VanDerWaalsContact O-CB 3.3Å; L622-L626 WeakPolarHBondContact O-CB 3.49Å; L622-L626 WeakPolarHBondContact O-CD1 3.41Å; L622-L626 WeakPolarHBondContact O-CG 3.44Å; L622-L626 PolarHBondContact O-N 3.47Å
623	Y	96	Very high	91.8	Very high	2 Å²	2	33 Å²	33	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-69.5	-36.6	171	-94.9	-97	0	0	0	112.4	L610 T619 V620 L626 V627 A635 F639 L654 L658	L610-Y623 HydrophobicContact CD1-CD2 4.13Å; L610-Y623 HydrophobicContact CD1-CE2 3.83Å; L610-Y623 HydrophobicContact CD2-CD2 4.09Å; L610-Y623 HydrophobicContact CD2-CE2 3.92Å; L610-Y623 HydrophobicContact CG-CE2 4.37Å; T619-Y623 WeakPolarHBondContact O-CB 3.42Å; T619-Y623 VanDerWaalsContact O-CD2 3.26Å; T619-Y623 WeakPolarHBondContact O-CD2 3.28Å; T619-Y623 PolarHBondContact O-N 3.46Å; V620-Y623 PolarHBondContact O-N 3.27Å; V620-Y623 VanDerWaalsContact O-N 3.13Å; Y623-L626 PolarHBondContact O-N 2.84Å; Y623-V627 WeakPolarHBondContact O-CB 3.48Å; Y623-V627 VanDerWaalsContact O-CG2 3.28Å; Y623-V627 WeakPolarHBondContact O-CG2 3.41Å; Y623-V627 PolarHBondContact O-N 2.96Å; Y623-A635 HydrophobicContact CD1-CB 3.91Å; Y623-A635 HydrophobicContact CE1-CB 3.97Å; Y623-A635 WeakPolarHBondContact CE1-O 3.27Å; Y623-F639 HydrophobicContact CE1-CB 3.99Å; Y623-F639 VanDerWaalsContact OH-CA 3.29Å; Y623-F639 WeakPolarHBondContact OH-CA 3.19Å; Y623-F639 PolarHBondContact OH-N 3.48Å; Y623-F639 VanDerWaalsContact OH-N 3.12Å; Y623-L654 HydrophobicContact CD1-CD1 4.36Å; Y623-L654 HydrophobicContact CD1-CD2 4.3Å; Y623-L654 HydrophobicContact CD2-CD1 3.97Å; Y623-L654 HydrophobicContact CD2-CD2 4.09Å; Y623-L654 HydrophobicContact CE1-CD1 4.24Å; Y623-L654 HydrophobicContact CE2-CD1 3.8Å; Y623-L654 HydrophobicContact CG-CD1 4.22Å; Y623-L654 HydrophobicContact CG-CD2 3.82Å; Y623-L658 HydrophobicContact CD1-CD1 4.36Å; Y623-L658 HydrophobicContact CD1-CD2 3.99Å; Y623-L658 HydrophobicContact CD1-CG 4.23Å; Y623-L658 HydrophobicContact CE1-CD1 4.05Å; Y623-L658 HydrophobicContact CE1-CD2 4.11Å; Y623-L658 HydrophobicContact CE1-CG 4.37Å
624	E	94.1	Very high	92	Very high	66 Å²	66	33 Å²	33	31%	0.308	20%	0.197	S	C	.	.	H	α-helix	trans	-65.3	-50	175.7	-71.9	166.4	164	0	0	111	V620 P621 L626 V627 A628 I657	V620-E624 VanDerWaalsContact CG1-CD 3.49Å; V620-E624 HydrophobicContact CG1-CG 4.33Å; V620-E624 VanDerWaalsContact CG1-OE1 3.24Å; V620-E624 WeakPolarHBondContact CG1-OE1 3.31Å; V620-E624 WeakPolarHBondContact O-CG 3.38Å; V620-E624 PolarHBondContact O-N 2.9Å; P621-E624 PolarHBondContact O-N 3.19Å; E624-L626 VanDerWaalsContact C-N 3.33Å; E624-L626 PolarHBondContact O-N 3.3Å; E624-V627 PolarHBondContact O-N 3.45Å; E624-V627 VanDerWaalsContact O-N 3.13Å; E624-A628 WeakPolarHBondContact O-CB 3.43Å; E624-A628 PolarHBondContact O-N 3.03Å; E624-I657 HydrophobicContact CG-CD1 3.85Å; E624-I657 HydrophobicContact CG-CG1 4.16Å; E624-I657 HydrophobicContact CG-CG2 4.08Å
625	D	94.1	Very high	92.3	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.102	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-41.7	174.5	-77.1	-31.3	0	0	0	112.2	Q592 V595 R596 P621 V627 G629	Q592-D625 WeakPolarHBondContact CB-OD2 3.37Å; Q592-D625 VanDerWaalsContact CG-OD2 3.24Å; Q592-D625 WeakPolarHBondContact CG-OD2 3.22Å; Q592-D625 PolarHBondContact NE2-OD2 3.15Å; V595-D625 HydrophobicContact CB-CB 4.44Å; V595-D625 VanDerWaalsContact CG1-C 3.48Å; V595-D625 HydrophobicContact CG1-CB 3.8Å; R596-D625 HydrophobicContact CG-CB 4.43Å; R596-D625 IonicContact CZ-OD1 2.74Å; R596-D625 VanDerWaalsContact CZ-OD1 3.27Å; R596-D625 IonicContact CZ-OD2 3.34Å; R596-D625 IonicContact NE-OD1 3.3Å; R596-D625 PolarHBondContact NE-OD1 3.19Å; R596-D625 IonicContact NE-OD2 3.17Å; R596-D625 PolarHBondContact NE-OD2 3.39Å; R596-D625 IonicContact NH2-OD1 2.92Å; R596-D625 PolarHBondContact NH2-OD1 2.9Å; R596-D625 IonicContact NH2-OD2 2.69Å; R596-D625 PolarHBondContact NH2-OD2 3.41Å; P621-D625 PolarHBondContact O-N 3.46Å; D625-V627 VanDerWaalsContact C-N 3.28Å; D625-V627 PolarHBondContact O-N 3.13Å; D625-G629 PolarHBondContact O-N 3.28Å
626	L	95.2	Very high	92.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-31.1	177.4	-78.3	166.6	0	0	0	112.9	V595 V606 L610 L622 Y623 E624 M631 K632 A635	V595-L626 HydrophobicContact CB-CD2 4.41Å; V595-L626 HydrophobicContact CG1-CB 4.33Å; V595-L626 HydrophobicContact CG1-CD2 3.81Å; V595-L626 HydrophobicContact CG1-CG 3.91Å; V595-L626 HydrophobicContact CG2-CD2 3.62Å; V595-L626 HydrophobicContact CG2-CG 3.96Å; V606-L626 HydrophobicContact CG1-CD1 4.22Å; V606-L626 HydrophobicContact CG1-CD2 4.32Å; L610-L626 HydrophobicContact CD1-CD1 3.81Å; L622-L626 VanDerWaalsContact O-CB 3.3Å; L622-L626 WeakPolarHBondContact O-CB 3.49Å; L622-L626 WeakPolarHBondContact O-CD1 3.41Å; L622-L626 WeakPolarHBondContact O-CG 3.44Å; L622-L626 PolarHBondContact O-N 3.47Å; Y623-L626 PolarHBondContact O-N 2.84Å; E624-L626 VanDerWaalsContact C-N 3.33Å; E624-L626 PolarHBondContact O-N 3.3Å; L626-M631 HydrophobicContact CD2-CB 3.52Å; L626-M631 HydrophobicContact CD2-CG 4.38Å; L626-M631 HydrophobicContact CD2-SD 4.01Å; L626-M631 CarbonylContact O-C 3.59Å; L626-K632 WeakPolarHBondContact O-CA 3.5Å; L626-K632 PolarHBondContact O-N 3.36Å; L626-A635 HydrophobicContact CB-CB 3.86Å; L626-A635 HydrophobicContact CD1-CB 4.03Å
627	V	94.9	Very high	93	Very high	32 Å²	32	32.8 Å²	32.8	19%	0.194	20%	0.199	C	C	.	.	H	α-helix	trans	-88.5	-32.1	-178.5	165.5	0	0	0	0	112.8	Y623 E624 D625 K632 A635 I657 L658	Y623-V627 WeakPolarHBondContact O-CB 3.48Å; Y623-V627 VanDerWaalsContact O-CG2 3.28Å; Y623-V627 WeakPolarHBondContact O-CG2 3.41Å; Y623-V627 PolarHBondContact O-N 2.96Å; E624-V627 PolarHBondContact O-N 3.45Å; E624-V627 VanDerWaalsContact O-N 3.13Å; D625-V627 VanDerWaalsContact C-N 3.28Å; D625-V627 PolarHBondContact O-N 3.13Å; V627-K632 HydrophobicContact CG1-CD 4.15Å; V627-K632 HydrophobicContact CG2-CD 4.42Å; V627-K632 HydrophobicContact CG2-CG 4.19Å; V627-A635 HydrophobicContact CG2-CB 4.3Å; V627-I657 HydrophobicContact CB-CG2 4.17Å; V627-I657 HydrophobicContact CG1-CG2 4.4Å; V627-I657 WeakPolarHBondContact CG1-O 3.38Å; V627-I657 HydrophobicContact CG2-CG2 4.04Å; V627-L658 HydrophobicContact CG2-CD2 3.93Å
628	A	91.6	Very high	93.6	Very high	91 Å²	91	31.8 Å²	31.8	75%	0.752	20%	0.195	S	C	*	.	H	α-helix	trans	-70.6	-36.4	172.1	0	0	0	0	0	111.6	E624	E624-A628 WeakPolarHBondContact O-CB 3.43Å; E624-A628 PolarHBondContact O-N 3.03Å
629	G	86.3	Confident	93.9	Very high	33 Å²	33	31.4 Å²	31.4	34%	0.34	19%	0.193	S	C	.	.	S	Bend	trans	-80.8	-174.8	171.7	0	0	0	0	0	114.2	D625 M631	D625-G629 PolarHBondContact O-N 3.28Å; G629-M631 PolarHBondContact O-N 3Å
630	V	88.8	Confident	94.1	Very high	102 Å²	102	38 Å²	38	62%	0.618	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.9	-179.6	-59.9	0	0	0	0	114.2	T598 K632	T598-V630 HydrophobicContact CG2-CG2 3.44Å; T598-V630 VanDerWaalsContact CG2-CG2 3.44Å; V630-K632 PolarHBondContact O-N 3.38Å
631	M	93.1	Very high	94.3	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	11.6	-170.6	-68.5	-175.3	167.2	0	0	114.4	V595 T598 Y600 L603 L626 G629 C633 V634 A635	V595-M631 HydrophobicContact CG1-SD 4.44Å; V595-M631 HydrophobicContact CG2-SD 4.38Å; T598-M631 HydrophobicContact CG2-CE 3.99Å; Y600-M631 HydrophobicContact CD1-CE 3.97Å; Y600-M631 HydrophobicContact CE1-CE 3.9Å; Y600-M631 HydrophobicContact CG-CE 4.48Å; L603-M631 HydrophobicContact CD1-CE 4.09Å; L603-M631 HydrophobicContact CD1-SD 3.76Å; L603-M631 HydrophobicContact CD2-CE 4.42Å; L626-M631 HydrophobicContact CD2-CB 3.52Å; L626-M631 HydrophobicContact CD2-CG 4.38Å; L626-M631 HydrophobicContact CD2-SD 4.01Å; L626-M631 CarbonylContact O-C 3.59Å; G629-M631 PolarHBondContact O-N 3Å; M631-C633 PolarHBondContact O-N 3.48Å; M631-V634 WeakPolarHBondContact O-CA 3.4Å; M631-V634 VanDerWaalsContact O-CB 3.29Å; M631-V634 WeakPolarHBondContact O-CB 3.42Å; M631-V634 PolarHBondContact O-N 3.16Å; M631-A635 PolarHBondContact O-N 2.88Å
632	K	94.4	Very high	94.4	Very high	72 Å²	72	42.1 Å²	42.1	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-50.8	-35.3	-177.2	180	160.5	-170.7	150	0	114.5	L626 V627 V630 V634 A635 V636 L658	L626-K632 WeakPolarHBondContact O-CA 3.5Å; L626-K632 PolarHBondContact O-N 3.36Å; V627-K632 HydrophobicContact CG1-CD 4.15Å; V627-K632 HydrophobicContact CG2-CD 4.42Å; V627-K632 HydrophobicContact CG2-CG 4.19Å; V630-K632 PolarHBondContact O-N 3.38Å; K632-V634 VanDerWaalsContact C-N 3.3Å; K632-V634 PolarHBondContact O-N 3.35Å; K632-A635 PolarHBondContact O-N 2.68Å; K632-V636 WeakPolarHBondContact O-CG2 3.45Å; K632-V636 PolarHBondContact O-N 3.18Å; K632-L658 WeakPolarHBondContact CE-O 3.19Å; K632-L658 PolarHBondContact NZ-O 2.92Å
633	C	94.8	Very high	94.3	Very high	93 Å²	93	44.3 Å²	44.3	63%	0.628	25%	0.247	S	C	*	.	H	α-helix	trans	-62.3	-35.3	175.8	55.5	0	0	0	0	113.1	M631 E637	M631-C633 PolarHBondContact O-N 3.48Å; C633-E637 WeakPolarHBondContact O-CB 3.4Å; C633-E637 PolarHBondContact O-N 3.44Å
634	V	94.9	Very high	94	Very high	12 Å²	12	53 Å²	53	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-43.5	176.2	-179.2	0	0	0	0	110.5	L603 R607 M631 K632 V636 E637 I638	L603-V634 HydrophobicContact CD1-CG1 4.2Å; L603-V634 HydrophobicContact CD2-CG2 4.17Å; R607-V634 HydrophobicContact CG-CG1 4.25Å; M631-V634 WeakPolarHBondContact O-CA 3.4Å; M631-V634 VanDerWaalsContact O-CB 3.29Å; M631-V634 WeakPolarHBondContact O-CB 3.42Å; M631-V634 PolarHBondContact O-N 3.16Å; K632-V634 VanDerWaalsContact C-N 3.3Å; K632-V634 PolarHBondContact O-N 3.35Å; V634-V636 PolarHBondContact O-N 3.1Å; V634-E637 PolarHBondContact O-N 3.26Å; V634-I638 HydrophobicContact CG1-CD1 3.72Å; V634-I638 HydrophobicContact CG1-CG1 4.3Å; V634-I638 VanDerWaalsContact O-CG1 3.27Å; V634-I638 WeakPolarHBondContact O-CG1 3.43Å; V634-I638 PolarHBondContact O-N 3.19Å
635	A	95.9	Very high	93.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.6	0	0	0	0	0	112	Y623 L626 V627 M631 K632 E637 F639 L658	Y623-A635 HydrophobicContact CD1-CB 3.91Å; Y623-A635 HydrophobicContact CE1-CB 3.97Å; Y623-A635 WeakPolarHBondContact CE1-O 3.27Å; L626-A635 HydrophobicContact CB-CB 3.86Å; L626-A635 HydrophobicContact CD1-CB 4.03Å; V627-A635 HydrophobicContact CG2-CB 4.3Å; M631-A635 PolarHBondContact O-N 2.88Å; K632-A635 PolarHBondContact O-N 2.68Å; A635-E637 PolarHBondContact O-N 3.12Å; A635-F639 VanDerWaalsContact O-CB 3.31Å; A635-F639 WeakPolarHBondContact O-CB 3.48Å; A635-F639 PolarHBondContact O-N 2.91Å; A635-L658 HydrophobicContact CB-CD2 3.64Å
636	V	96.9	Very high	93.6	Very high	32 Å²	32	53.1 Å²	53.1	19%	0.194	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-44.6	174.7	171.5	0	0	0	0	111.4	K632 V634 F639 Y640 L658 F659	K632-V636 WeakPolarHBondContact O-CG2 3.45Å; K632-V636 PolarHBondContact O-N 3.18Å; V634-V636 PolarHBondContact O-N 3.1Å; V636-F639 PolarHBondContact O-N 3.21Å; V636-Y640 HydrophobicContact CG1-CD2 3.77Å; V636-Y640 HydrophobicContact CG1-CE2 3.56Å; V636-Y640 WeakPolarHBondContact O-CD2 3.36Å; V636-Y640 PolarHBondContact O-N 3.15Å; V636-Y640 VanDerWaalsContact O-N 3.08Å; V636-L658 HydrophobicContact CG2-CD2 3.85Å; V636-F659 HydrophobicContact CG1-CZ 4.21Å; V636-F659 HydrophobicContact CG2-CE1 4.18Å; V636-F659 HydrophobicContact CG2-CZ 4.08Å
637	E	96.8	Very high	93.4	Very high	78 Å²	78	53.9 Å²	53.9	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-49.9	179.4	-165.7	-152.5	126.9	0	0	112.1	R607 C633 V634 A635 F639 Y640 Q641	R607-E637 IonicContact CZ-OE1 2.81Å; R607-E637 IonicContact CZ-OE2 3.44Å; R607-E637 VanDerWaalsContact NH1-CD 3.25Å; R607-E637 IonicContact NH1-OE1 3.49Å; R607-E637 PolarHBondContact NH1-OE1 3.12Å; R607-E637 IonicContact NH1-OE2 3.27Å; R607-E637 PolarHBondContact NH1-OE2 2.72Å; R607-E637 IonicContact NH2-OE1 2.85Å; R607-E637 IonicContact NH2-OE2 2.97Å; R607-E637 PolarHBondContact NH2-OE2 3.31Å; C633-E637 WeakPolarHBondContact O-CB 3.4Å; C633-E637 PolarHBondContact O-N 3.44Å; V634-E637 PolarHBondContact O-N 3.26Å; A635-E637 PolarHBondContact O-N 3.12Å; E637-F639 VanDerWaalsContact C-N 3.31Å; E637-F639 PolarHBondContact O-N 3.22Å; E637-Y640 PolarHBondContact O-N 3.24Å; E637-Q641 WeakPolarHBondContact O-CG 3.4Å; E637-Q641 PolarHBondContact O-N 2.96Å; E637-Q641 VanDerWaalsContact O-N 3.17Å; E637-Q641 PolarHBondContact OE1-NE2 3.16Å
638	I	96.6	Very high	93.1	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-41.9	177.4	-62.3	165.9	0	0	0	110.1	R607 L610 V634 Y640 Q641 T642	R607-I638 HydrophobicContact CB-CD1 4.45Å; R607-I638 HydrophobicContact CG-CD1 3.82Å; R607-I638 HydrophobicContact CG-CG1 4.22Å; L610-I638 HydrophobicContact CB-CD1 4.48Å; L610-I638 HydrophobicContact CB-CG2 3.8Å; L610-I638 HydrophobicContact CD1-CD1 3.94Å; L610-I638 HydrophobicContact CD1-CG2 4.48Å; V634-I638 HydrophobicContact CG1-CD1 3.72Å; V634-I638 HydrophobicContact CG1-CG1 4.3Å; V634-I638 VanDerWaalsContact O-CG1 3.27Å; V634-I638 WeakPolarHBondContact O-CG1 3.43Å; V634-I638 PolarHBondContact O-N 3.19Å; I638-Y640 PolarHBondContact O-N 3.08Å; I638-Q641 CarbonylContact O-C 3.42Å; I638-Q641 WeakPolarHBondContact O-CA 3.44Å; I638-Q641 WeakPolarHBondContact O-CB 3.33Å; I638-Q641 PolarHBondContact O-N 3.3Å; I638-Q641 VanDerWaalsContact O-N 3.08Å; I638-T642 HydrophobicContact CG2-CG2 3.97Å; I638-T642 WeakPolarHBondContact O-CG2 3.17Å; I638-T642 PolarHBondContact O-N 2.97Å; I638-T642 PolarHBondContact O-OG1 3.21Å; I638-T642 VanDerWaalsContact O-OG1 3.11Å
639	F	96.9	Very high	92.9	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-45.7	177.9	177.1	-93.3	0	0	0	111.7	Y623 A635 V636 E637 Q641 T642 Q643 R651 L654 Q655 L658	Y623-F639 HydrophobicContact CE1-CB 3.99Å; Y623-F639 VanDerWaalsContact OH-CA 3.29Å; Y623-F639 WeakPolarHBondContact OH-CA 3.19Å; Y623-F639 PolarHBondContact OH-N 3.48Å; Y623-F639 VanDerWaalsContact OH-N 3.12Å; A635-F639 VanDerWaalsContact O-CB 3.31Å; A635-F639 WeakPolarHBondContact O-CB 3.48Å; A635-F639 PolarHBondContact O-N 2.91Å; V636-F639 PolarHBondContact O-N 3.21Å; E637-F639 VanDerWaalsContact C-N 3.31Å; E637-F639 PolarHBondContact O-N 3.22Å; F639-Q641 PolarHBondContact O-N 3.01Å; F639-T642 PolarHBondContact O-N 3.14Å; F639-Q643 HydrophobicContact CD1-CB 4.39Å; F639-Q643 HydrophobicContact CD2-CB 4.4Å; F639-Q643 HydrophobicContact CE1-CB 4Å; F639-Q643 HydrophobicContact CE2-CB 4.02Å; F639-Q643 HydrophobicContact CZ-CB 3.78Å; F639-Q643 WeakPolarHBondContact O-CB 3.36Å; F639-Q643 VanDerWaalsContact O-CG 3.28Å; F639-Q643 WeakPolarHBondContact O-CG 3.41Å; F639-Q643 PolarHBondContact O-N 3.01Å; F639-R651 HydrophobicContact CE2-CG 4.02Å; F639-R651 HydrophobicContact CZ-CG 3.82Å; F639-L654 HydrophobicContact CD2-CB 3.99Å; F639-L654 HydrophobicContact CD2-CD1 4.31Å; F639-L654 HydrophobicContact CE2-CB 4Å; F639-Q655 HydrophobicContact CE1-CG 4.06Å; F639-Q655 HydrophobicContact CE2-CG 4.16Å; F639-Q655 HydrophobicContact CZ-CG 3.5Å; F639-Q655 VanDerWaalsContact CZ-CG 3.5Å; F639-L658 HydrophobicContact CB-CD1 3.5Å; F639-L658 VanDerWaalsContact CB-CD1 3.5Å; F639-L658 HydrophobicContact CD1-CD1 3.94Å; F639-L658 HydrophobicContact CD2-CD1 3.71Å; F639-L658 HydrophobicContact CE2-CD1 4.47Å; F639-L658 HydrophobicContact CG-CD1 3.41Å; F639-L658 VanDerWaalsContact CG-CD1 3.41Å
640	Y	96.6	Very high	93.1	Very high	142 Å²	142	52.9 Å²	52.9	56%	0.557	26%	0.256	S	S	*	.	H	α-helix	trans	-61.8	-31.8	176.9	-81	-63.7	0	0	0	112.8	V636 E637 I638 Q643	V636-Y640 HydrophobicContact CG1-CD2 3.77Å; V636-Y640 HydrophobicContact CG1-CE2 3.56Å; V636-Y640 WeakPolarHBondContact O-CD2 3.36Å; V636-Y640 PolarHBondContact O-N 3.15Å; V636-Y640 VanDerWaalsContact O-N 3.08Å; E637-Y640 PolarHBondContact O-N 3.24Å; I638-Y640 PolarHBondContact O-N 3.08Å; Y640-Q643 PolarHBondContact O-NE2 2.89Å
641	Q	95.4	Very high	93.3	Very high	98 Å²	98	51.1 Å²	51.1	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-74.1	-40.8	176.2	-67.6	159.4	-6.5	0	0	112.9	H611 E637 I638 F639	H611-Q641 PolarHBondContact CE1-OE1 3.01Å; H611-Q641 PolarHBondContact NE2-OE1 3.46Å; E637-Q641 WeakPolarHBondContact O-CG 3.4Å; E637-Q641 PolarHBondContact O-N 2.96Å; E637-Q641 VanDerWaalsContact O-N 3.17Å; E637-Q641 PolarHBondContact OE1-NE2 3.16Å; I638-Q641 CarbonylContact O-C 3.42Å; I638-Q641 WeakPolarHBondContact O-CA 3.44Å; I638-Q641 WeakPolarHBondContact O-CB 3.33Å; I638-Q641 PolarHBondContact O-N 3.3Å; I638-Q641 VanDerWaalsContact O-N 3.08Å; F639-Q641 PolarHBondContact O-N 3.01Å
642	T	94	Very high	93.3	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-102.9	-21.2	-169.5	65.6	0	0	0	0	115.3	I638 F639 R644 R645	I638-T642 HydrophobicContact CG2-CG2 3.97Å; I638-T642 WeakPolarHBondContact O-CG2 3.17Å; I638-T642 PolarHBondContact O-N 2.97Å; I638-T642 PolarHBondContact O-OG1 3.21Å; I638-T642 VanDerWaalsContact O-OG1 3.11Å; F639-T642 PolarHBondContact O-N 3.14Å; T642-R644 PolarHBondContact O-N 2.91Å; T642-R645 PolarHBondContact O-N 2.94Å
643	Q	92.8	Very high	93.1	Very high	46 Å²	46	56.5 Å²	56.5	22%	0.215	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-44.1	-35.4	-169.9	54.9	178.6	-36.8	0	0	116.4	F639 Y640 L646 R651	F639-Q643 HydrophobicContact CD1-CB 4.39Å; F639-Q643 HydrophobicContact CD2-CB 4.4Å; F639-Q643 HydrophobicContact CE1-CB 4Å; F639-Q643 HydrophobicContact CE2-CB 4.02Å; F639-Q643 HydrophobicContact CZ-CB 3.78Å; F639-Q643 WeakPolarHBondContact O-CB 3.36Å; F639-Q643 VanDerWaalsContact O-CG 3.28Å; F639-Q643 WeakPolarHBondContact O-CG 3.41Å; F639-Q643 PolarHBondContact O-N 3.01Å; Y640-Q643 PolarHBondContact O-NE2 2.89Å; Q643-L646 WeakPolarHBondContact O-CB 3.38Å; Q643-L646 PolarHBondContact O-N 3.16Å; Q643-L646 VanDerWaalsContact O-N 3.12Å; Q643-R651 HydrophobicContact CB-CG 4.36Å; Q643-R651 VanDerWaalsContact O-CZ 3.22Å; Q643-R651 PolarHBondContact O-NE 3.32Å; Q643-R651 PolarHBondContact O-NH2 3.14Å; Q643-R651 VanDerWaalsContact O-NH2 3.09Å
644	R	89.7	Confident	93.1	Very high	185 Å²	185	52 Å²	52	70%	0.698	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-62.7	-43.9	-179.6	-63.6	-172.7	-177.4	-169.8	0.6	111.5	T642 L646 R651	T642-R644 PolarHBondContact O-N 2.91Å; R644-L646 PolarHBondContact O-N 2.97Å; R644-R651 PolarHBondContact O-NH2 2.91Å
645	R	89	Confident	93.1	Very high	85 Å²	85	55.2 Å²	55.2	32%	0.321	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-73.3	0.5	175.6	-68.7	174.1	55.9	-135.2	-8.9	114.1	L171 H611 K612 T614 T642	L171-R645 VanDerWaalsContact CD2-C 3.5Å; L171-R645 WeakPolarHBondContact CD2-O 3.47Å; H611-R645 PolarHBondContact O-NH1 3.48Å; H611-R645 PolarHBondContact O-NH2 3.28Å; K612-R645 PolarHBondContact O-NH2 2.89Å; T614-R645 HydrophobicContact CG2-CB 4.29Å; T614-R645 WeakPolarHBondContact CG2-O 3.38Å; T642-R645 PolarHBondContact O-N 2.94Å
646	L	90.5	Very high	93.1	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	-98.2	132.2	174.5	-54.7	-177	0	0	0	110.2	T614 Q643 R644 L650 R651 L654	T614-L646 HydrophobicContact CG2-CD2 3.98Å; Q643-L646 WeakPolarHBondContact O-CB 3.38Å; Q643-L646 PolarHBondContact O-N 3.16Å; Q643-L646 VanDerWaalsContact O-N 3.12Å; R644-L646 PolarHBondContact O-N 2.97Å; L646-L650 HydrophobicContact CD2-CD2 4.12Å; L646-R651 HydrophobicContact CB-CB 4.42Å; L646-R651 PolarHBondContact O-NE 2.85Å; L646-R651 PolarHBondContact O-NH2 3.24Å; L646-L654 HydrophobicContact CD1-CD1 3.61Å
647	H	90.8	Very high	93	Very high	15 Å²	15	60.1 Å²	60.1	7%	0.069	27%	0.27	C	S	.	.			trans	-54.9	140.8	174.1	-176	-101.8	0	0	0	111.1	W165 L171 N649 L650 R651	W165-H647 AromaticContact CE3-CE1 3.19Å; W165-H647 AromaticContact CE3-ND1 3.59Å; W165-H647 AromaticContact CE3-NE2 3.68Å; W165-H647 AromaticContact CZ3-CE1 3.35Å; W165-H647 WeakPolarHBondContact CZ3-CE1 3.49Å; W165-H647 AromaticContact CZ3-ND1 3.34Å; W165-H647 VanDerWaalsContact CZ3-ND1 3.34Å; W165-H647 WeakPolarHBondContact CZ3-ND1 3.39Å; L171-H647 HydrophobicContact CD1-CB 4.45Å; H647-N649 PolarHBondContact ND1-N 3.1Å; H647-N649 PolarHBondContact O-N 2.9Å; H647-L650 PolarHBondContact O-N 3.43Å; H647-R651 PolarHBondContact O-N 3Å
648	P	89.8	Confident	92.9	Very high	57 Å²	57	56.4 Å²	56.4	37%	0.37	25%	0.253	S	S	.	.	H	α-helix	trans	-52.3	-35.1	-173.7	-31.7	37.7	0	0	0	115.7	R652	P648-R652 WeakPolarHBondContact O-CB 3.33Å; P648-R652 PolarHBondContact O-N 3.29Å
649	N	87.6	Confident	92.8	Very high	65 Å²	65	61 Å²	61	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-47.8	176.1	-69.2	-22.1	0	0	0	112.1	W165 H647 R651 R652 T653	W165-N649 HydrophobicContact CH2-CB 4.39Å; W165-N649 HydrophobicContact CZ3-CB 4.48Å; H647-N649 PolarHBondContact ND1-N 3.1Å; H647-N649 PolarHBondContact O-N 2.9Å; N649-R651 VanDerWaalsContact C-N 3.33Å; N649-R651 PolarHBondContact O-N 2.94Å; N649-R652 WeakPolarHBondContact O-CB 3.42Å; N649-R652 PolarHBondContact O-N 2.63Å; N649-R652 PolarHBondContact OD1-NH1 3.12Å; N649-T653 PolarHBondContact O-N 3.31Å; N649-T653 PolarHBondContact O-OG1 3.23Å
650	L	89.9	Confident	92.1	Very high	14 Å²	14	64.8 Å²	64.8	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-40.3	174.9	176.2	58.9	0	0	0	111.5	T614 R616 V620 L646 H647 R652 T653 L654	T614-L650 WeakPolarHBondContact O-CD2 3.5Å; R616-L650 HydrophobicContact CB-CD1 4.24Å; R616-L650 HydrophobicContact CG-CD1 4.28Å; V620-L650 HydrophobicContact CG2-CD1 3.74Å; L646-L650 HydrophobicContact CD2-CD2 4.12Å; H647-L650 PolarHBondContact O-N 3.43Å; L650-R652 VanDerWaalsContact C-N 3.27Å; L650-R652 PolarHBondContact O-N 3.18Å; L650-T653 PolarHBondContact O-N 2.93Å; L650-T653 VanDerWaalsContact O-N 3.15Å; L650-L654 HydrophobicContact CD1-CD2 4.27Å; L650-L654 HydrophobicContact CD1-CG 4.07Å; L650-L654 HydrophobicContact CG-CG 4.46Å; L650-L654 WeakPolarHBondContact O-CG 3.49Å; L650-L654 PolarHBondContact O-N 2.91Å
651	R	92.9	Very high	91	Very high	65 Å²	65	62.1 Å²	62.1	25%	0.245	30%	0.3	C	S	.	.	H	α-helix	trans	-56.9	-41.4	174.8	-165.9	-174.3	-57.9	168.5	2.8	111.3	F639 Q643 R644 L646 H647 N649 Q655	F639-R651 HydrophobicContact CE2-CG 4.02Å; F639-R651 HydrophobicContact CZ-CG 3.82Å; Q643-R651 HydrophobicContact CB-CG 4.36Å; Q643-R651 VanDerWaalsContact O-CZ 3.22Å; Q643-R651 PolarHBondContact O-NE 3.32Å; Q643-R651 PolarHBondContact O-NH2 3.14Å; Q643-R651 VanDerWaalsContact O-NH2 3.09Å; R644-R651 PolarHBondContact O-NH2 2.91Å; L646-R651 HydrophobicContact CB-CB 4.42Å; L646-R651 PolarHBondContact O-NE 2.85Å; L646-R651 PolarHBondContact O-NH2 3.24Å; H647-R651 PolarHBondContact O-N 3Å; N649-R651 VanDerWaalsContact C-N 3.33Å; N649-R651 PolarHBondContact O-N 2.94Å; R651-Q655 WeakPolarHBondContact O-CB 3.2Å; R651-Q655 WeakPolarHBondContact O-CG 3.32Å; R651-Q655 PolarHBondContact O-N 2.92Å
652	R	92.3	Very high	88.8	Confident	137 Å²	137	63.9 Å²	63.9	52%	0.517	32%	0.323	S	S	.	.	H	α-helix	trans	-66.1	-44.1	174.5	-168.8	-172.8	-63.1	111.7	-1.4	112	P648 N649 L650 Q655 L656	P648-R652 WeakPolarHBondContact O-CB 3.33Å; P648-R652 PolarHBondContact O-N 3.29Å; N649-R652 WeakPolarHBondContact O-CB 3.42Å; N649-R652 PolarHBondContact O-N 2.63Å; N649-R652 PolarHBondContact OD1-NH1 3.12Å; L650-R652 VanDerWaalsContact C-N 3.27Å; L650-R652 PolarHBondContact O-N 3.18Å; R652-Q655 WeakPolarHBondContact O-CB 3.3Å; R652-Q655 PolarHBondContact O-N 3.42Å; R652-L656 WeakPolarHBondContact O-CG 3.43Å; R652-L656 PolarHBondContact O-N 3.44Å
653	T	91.9	Very high	86.2	Confident	50 Å²	50	68.3 Å²	68.3	31%	0.307	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-50.7	176	-55.5	0	0	0	0	111.5	V620 N649 L650 Q655 L656 I657	V620-T653 HydrophobicContact CG2-CG2 4.05Å; N649-T653 PolarHBondContact O-N 3.31Å; N649-T653 PolarHBondContact O-OG1 3.23Å; L650-T653 PolarHBondContact O-N 2.93Å; L650-T653 VanDerWaalsContact O-N 3.15Å; T653-Q655 VanDerWaalsContact C-N 3.31Å; T653-Q655 PolarHBondContact O-N 2.99Å; T653-L656 PolarHBondContact O-N 3.08Å; T653-L656 VanDerWaalsContact O-N 3.14Å; T653-I657 HydrophobicContact CG2-CD1 3.99Å; T653-I657 WeakPolarHBondContact O-CG1 3.36Å; T653-I657 PolarHBondContact O-N 3.26Å; T653-I657 VanDerWaalsContact O-N 3.1Å
654	L	94.4	Very high	83.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-33.5	177.9	-60.1	-170	0	0	0	112.3	V620 Y623 F639 L646 L650 L656 I657 L658	V620-L654 HydrophobicContact CG2-CD2 4.03Å; Y623-L654 HydrophobicContact CD1-CD1 4.36Å; Y623-L654 HydrophobicContact CD1-CD2 4.3Å; Y623-L654 HydrophobicContact CD2-CD1 3.97Å; Y623-L654 HydrophobicContact CD2-CD2 4.09Å; Y623-L654 HydrophobicContact CE1-CD1 4.24Å; Y623-L654 HydrophobicContact CE2-CD1 3.8Å; Y623-L654 HydrophobicContact CG-CD1 4.22Å; Y623-L654 HydrophobicContact CG-CD2 3.82Å; F639-L654 HydrophobicContact CD2-CB 3.99Å; F639-L654 HydrophobicContact CD2-CD1 4.31Å; F639-L654 HydrophobicContact CE2-CB 4Å; L646-L654 HydrophobicContact CD1-CD1 3.61Å; L650-L654 HydrophobicContact CD1-CD2 4.27Å; L650-L654 HydrophobicContact CD1-CG 4.07Å; L650-L654 HydrophobicContact CG-CG 4.46Å; L650-L654 WeakPolarHBondContact O-CG 3.49Å; L650-L654 PolarHBondContact O-N 2.91Å; L654-L656 VanDerWaalsContact C-N 3.35Å; L654-L656 PolarHBondContact O-N 3.28Å; L654-I657 HydrophobicContact CD2-CD1 4.09Å; L654-I657 PolarHBondContact O-N 3.02Å; L654-L658 VanDerWaalsContact O-CB 3.31Å; L654-L658 WeakPolarHBondContact O-CB 3.31Å; L654-L658 WeakPolarHBondContact O-CD1 3.3Å; L654-L658 WeakPolarHBondContact O-CG 3.44Å; L654-L658 PolarHBondContact O-N 3.44Å
655	Q	95.4	Very high	80.3	Confident	79 Å²	79	67 Å²	67	37%	0.369	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-38.9	172.6	-78.9	168.8	-20	0	0	112.7	F639 R651 R652 T653 F659	F639-Q655 HydrophobicContact CE1-CG 4.06Å; F639-Q655 HydrophobicContact CE2-CG 4.16Å; F639-Q655 HydrophobicContact CZ-CG 3.5Å; F639-Q655 VanDerWaalsContact CZ-CG 3.5Å; R651-Q655 WeakPolarHBondContact O-CB 3.2Å; R651-Q655 WeakPolarHBondContact O-CG 3.32Å; R651-Q655 PolarHBondContact O-N 2.92Å; R652-Q655 WeakPolarHBondContact O-CB 3.3Å; R652-Q655 PolarHBondContact O-N 3.42Å; T653-Q655 VanDerWaalsContact C-N 3.31Å; T653-Q655 PolarHBondContact O-N 2.99Å; Q655-F659 WeakPolarHBondContact O-CA 3.42Å; Q655-F659 WeakPolarHBondContact O-CB 3.49Å; Q655-F659 PolarHBondContact O-N 3.17Å
656	L	94.9	Very high	77.5	Confident	105 Å²	105	67.3 Å²	67.3	55%	0.55	40%	0.402	S	S	.	.	H	α-helix	trans	-68.5	-39.1	176.5	-68.8	167.8	0	0	0	112	R652 T653 L654 F659 P660	R652-L656 WeakPolarHBondContact O-CG 3.43Å; R652-L656 PolarHBondContact O-N 3.44Å; T653-L656 PolarHBondContact O-N 3.08Å; T653-L656 VanDerWaalsContact O-N 3.14Å; L654-L656 VanDerWaalsContact C-N 3.35Å; L654-L656 PolarHBondContact O-N 3.28Å; L656-F659 CarbonylContact O-C 3.52Å; L656-P660 WeakPolarHBondContact O-CA 3.47Å
657	I	94.3	Very high	74.5	Confident	29 Å²	29	75 Å²	75	15%	0.149	44%	0.443	C	S	.	.	H	α-helix	trans	-65.2	-47.7	174.9	-66.2	158.3	0	0	0	110.5	V620 E624 V627 T653 L654	V620-I657 HydrophobicContact CG1-CD1 4.09Å; E624-I657 HydrophobicContact CG-CD1 3.85Å; E624-I657 HydrophobicContact CG-CG1 4.16Å; E624-I657 HydrophobicContact CG-CG2 4.08Å; V627-I657 HydrophobicContact CB-CG2 4.17Å; V627-I657 HydrophobicContact CG1-CG2 4.4Å; V627-I657 WeakPolarHBondContact CG1-O 3.38Å; V627-I657 HydrophobicContact CG2-CG2 4.04Å; T653-I657 HydrophobicContact CG2-CD1 3.99Å; T653-I657 WeakPolarHBondContact O-CG1 3.36Å; T653-I657 PolarHBondContact O-N 3.26Å; T653-I657 VanDerWaalsContact O-N 3.1Å; L654-I657 HydrophobicContact CD2-CD1 4.09Å; L654-I657 PolarHBondContact O-N 3.02Å
658	L	94.9	Very high	71.5	Confident	1 Å²	1	83.1 Å²	83.1	1%	0.005	48%	0.481	C	S	.	.	H	α-helix	trans	-69.6	-39.5	-179.5	-68.3	166.4	0	0	0	112.7	Y623 V627 K632 A635 V636 F639 L654 P660	Y623-L658 HydrophobicContact CD1-CD1 4.36Å; Y623-L658 HydrophobicContact CD1-CD2 3.99Å; Y623-L658 HydrophobicContact CD1-CG 4.23Å; Y623-L658 HydrophobicContact CE1-CD1 4.05Å; Y623-L658 HydrophobicContact CE1-CD2 4.11Å; Y623-L658 HydrophobicContact CE1-CG 4.37Å; V627-L658 HydrophobicContact CG2-CD2 3.93Å; K632-L658 WeakPolarHBondContact CE-O 3.19Å; K632-L658 PolarHBondContact NZ-O 2.92Å; A635-L658 HydrophobicContact CB-CD2 3.64Å; V636-L658 HydrophobicContact CG2-CD2 3.85Å; F639-L658 HydrophobicContact CB-CD1 3.5Å; F639-L658 VanDerWaalsContact CB-CD1 3.5Å; F639-L658 HydrophobicContact CD1-CD1 3.94Å; F639-L658 HydrophobicContact CD2-CD1 3.71Å; F639-L658 HydrophobicContact CE2-CD1 4.47Å; F639-L658 HydrophobicContact CG-CD1 3.41Å; F639-L658 VanDerWaalsContact CG-CD1 3.41Å; L654-L658 VanDerWaalsContact O-CB 3.31Å; L654-L658 WeakPolarHBondContact O-CB 3.31Å; L654-L658 WeakPolarHBondContact O-CD1 3.3Å; L654-L658 WeakPolarHBondContact O-CG 3.44Å; L654-L658 PolarHBondContact O-N 3.44Å; L658-P660 VanDerWaalsContact C-CD 3.45Å; L658-P660 WeakPolarHBondContact O-CD 3.39Å
659	F	93.9	Very high	68.6	Low	97 Å²	97	86.5 Å²	86.5	43%	0.425	51%	0.506	S	S	.	.	S	Bend	trans	-129.1	63.2	-171.6	-49.1	-71.2	0	0	0	111.4	V636 Q655 L656 S661	V636-F659 HydrophobicContact CG1-CZ 4.21Å; V636-F659 HydrophobicContact CG2-CE1 4.18Å; V636-F659 HydrophobicContact CG2-CZ 4.08Å; Q655-F659 WeakPolarHBondContact O-CA 3.42Å; Q655-F659 WeakPolarHBondContact O-CB 3.49Å; Q655-F659 PolarHBondContact O-N 3.17Å; L656-F659 CarbonylContact O-C 3.52Å; F659-S661 PolarHBondContact O-N 3.28Å
660	P	83.9	Confident	65.7	Low	81 Å²	81	86 Å²	86	53%	0.526	52%	0.516	S	S	.	.			trans	-62.3	122.6	179.8	26	-34.3	0	0	0	110	L656 L658 S662	L656-P660 WeakPolarHBondContact O-CA 3.47Å; L658-P660 VanDerWaalsContact C-CD 3.45Å; L658-P660 WeakPolarHBondContact O-CD 3.39Å; P660-S662 PolarHBondContact O-N 2.83Å
661	S	73.7	Confident	62.7	Low	87 Å²	87	90.2 Å²	90.2	61%	0.608	55%	0.553	S	S	*	*			trans	-58.5	122.6	-177	-59.4	0	0	0	0	111.2	F659 S663	F659-S661 PolarHBondContact O-N 3.28Å; S661-S663 PolarHBondContact O-N 3.44Å
662	S	48.3	Very low	59.4	Low	135 Å²	135	93.8 Å²	93.8	94%	0.944	58%	0.582	S	S	*	*	S	Bend	trans	-69.6	21.6	179.6	-39.4	0	0	0	0	114.5	P660	P660-S662 PolarHBondContact O-N 2.83Å
663	S	39.2	Very low	56.2	Low	99 Å²	99	92.1 Å²	92.1	69%	0.692	59%	0.589	S	S	*	*			trans	-142.2	46.5	-167.4	66.8	0	0	0	0	111.9	S661	S661-S663 PolarHBondContact O-N 3.44Å
664	A	27.6	Very low	53.2	Low	87 Å²	87	95.6 Å²	95.6	72%	0.719	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-86.1	124.6	157.9	0	0	0	0	0	108.4
665	P	32.1	Very low	49.8	Very low	118 Å²	118	103.3 Å²	103.3	77%	0.766	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-64.9	138.6	167.5	29.1	-32.8	0	0	0	108.7	N667	P665-N667 PolarHBondContact O-N 3.41Å
666	A	28.9	Very low	46.4	Very low	91 Å²	91	107.3 Å²	107.3	75%	0.752	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-60.3	136.6	175.8	0	0	0	0	0	110.4	Q668	A666-Q668 PolarHBondContact O-N 3.1Å
667	N	28	Very low	43.1	Very low	164 Å²	164	109 Å²	109	88%	0.877	69%	0.69	S	S	*	*			trans	-57.3	99.5	176.1	-85.2	-15.6	0	0	0	110.6	P665 S669	P665-N667 PolarHBondContact O-N 3.41Å; N667-S669 VanDerWaalsContact C-N 3.33Å; N667-S669 PolarHBondContact O-N 3.12Å; N667-S669 VanDerWaalsContact O-N 3.11Å
668	Q	27.3	Very low	39.7	Very low	185 Å²	185	111.2 Å²	111.2	86%	0.864	72%	0.72	S	S	*	*			trans	-82	84.8	167.7	-70.4	-163.8	9.5	0	0	109.3	A666 G670	A666-Q668 PolarHBondContact O-N 3.1Å; Q668-G670 PolarHBondContact O-N 3.11Å
669	S	29.4	Very low	36.3	Very low	127 Å²	127	117 Å²	117	89%	0.888	76%	0.76	S	S	*	*			trans	-63	84.2	155.6	55.4	0	0	0	0	108.8	N667	N667-S669 VanDerWaalsContact C-N 3.33Å; N667-S669 PolarHBondContact O-N 3.12Å; N667-S669 VanDerWaalsContact O-N 3.11Å
670	G	25.7	Very low	32.9	Very low	55 Å²	55	116.5 Å²	116.5	57%	0.567	78%	0.775	S	S	*	*			trans	-151.8	114.4	-176	0	0	0	0	0	111	Q668	Q668-G670 PolarHBondContact O-N 3.11Å
671	A	26.7	Very low	30.6	Very low	102 Å²	102	118.1 Å²	118.1	84%	0.843	79%	0.785	S	S	*	*			trans	-65.4	133.9	178.3	0	0	0	0	0	111	P673	A671-P673 VanDerWaalsContact O-CD 3.27Å; A671-P673 WeakPolarHBondContact O-CD 3.29Å
672	V	24.1	Very low	28.2	Very low	140 Å²	140	119.9 Å²	119.9	85%	0.848	80%	0.797	S	S	*	*			trans	-91.1	110.4	175.4	179.5	0	0	0	0	109.2
673	P	26.6	Very low	27.1	Very low	102 Å²	102	117 Å²	117	66%	0.662	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-74	156.1	170.6	31.7	-33.7	0	0	0	110.9	A671	A671-P673 VanDerWaalsContact O-CD 3.27Å; A671-P673 WeakPolarHBondContact O-CD 3.29Å
674	P	27.4	Very low	26.3	Very low	124 Å²	124	117.8 Å²	117.8	81%	0.805	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.3	148.5	-169.8	28	-35.8	0	0	0	113.8	L676	P674-L676 PolarHBondContact O-N 3.39Å
675	I	23.3	Very low	26.7	Very low	162 Å²	162	119.2 Å²	119.2	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.5	124.8	176.6	-61.8	170.4	0	0	0	110.2
676	L	24.6	Very low	26.3	Very low	163 Å²	163	120.8 Å²	120.8	85%	0.853	80%	0.797	S	S	*	*			trans	-129.3	149.8	160.3	-83.9	173	0	0	0	110.4	P674	P674-L676 PolarHBondContact O-N 3.39Å
677	T	25.3	Very low	26.1	Very low	139 Å²	139	124.4 Å²	124.4	85%	0.853	80%	0.799	S	S	*	*			trans	-86.8	134.7	-165.8	52.9	0	0	0	0	113.3
678	G	23	Very low	25.9	Very low	76 Å²	76	121.8 Å²	121.8	78%	0.784	79%	0.793	S	S	*	*			trans	-170.8	126.6	172.9	0	0	0	0	0	115.1
679	S	22.7	Very low	25.9	Very low	122 Å²	122	119 Å²	119	85%	0.853	79%	0.791	S	S	*	*			trans	-47.9	149.5	177.5	48.5	0	0	0	0	118.6
680	A	22.9	Very low	25.6	Very low	88 Å²	88	118 Å²	118	73%	0.727	79%	0.79	S	S	*	*			trans	-67.5	-179.3	159.2	0	0	0	0	0	111.8
681	P	35.6	Very low	25.4	Very low	115 Å²	115	120 Å²	120	75%	0.747	80%	0.801	S	S	*	*			cis	-148.4	-173.6	16	45.4	-25.3	0	0	0	119.1
682	S	23.7	Very low	25.3	Very low	123 Å²	123	122 Å²	122	86%	0.86	80%	0.804	S	S	*	*			trans	87	146.6	150.5	79.9	0	0	0	0	120.3
683	G	24.8	Very low	25.2	Very low	74 Å²	74	120.2 Å²	120.2	76%	0.763	80%	0.803	S	S	*	*			trans	138.8	115.1	177.7	0	0	0	0	0	112.4
684	S	23.6	Very low	25	Very low	117 Å²	117	121.7 Å²	121.7	82%	0.818	81%	0.81	S	S	*	*			trans	-122.4	-174.5	177.4	-48.9	0	0	0	0	111
685	P	35.3	Very low	24.8	Very low	117 Å²	117	121 Å²	121	76%	0.76	82%	0.815	S	S	*	*				-102.9	-178.6	-111.9	40.7	-27.9	0	0	0	113.6
686	L	23.9	Very low	24.7	Very low	150 Å²	150	118.3 Å²	118.3	79%	0.785	81%	0.811	S	S	*	*			trans	179.8	159.4	132.8	-98.7	157.9	0	0	0	114.7
687	Q	24.3	Very low	24.6	Very low	168 Å²	168	115.6 Å²	115.6	79%	0.785	81%	0.812	S	S	*	*			trans	64.6	108.8	152.6	-76	164.6	7.7	0	0	121.2
688	S	23.7	Very low	24.4	Very low	109 Å²	109	113.6 Å²	113.6	76%	0.762	81%	0.809	S	S	*	*			trans	-73	161.9	139.5	53.5	0	0	0	0	111.1
689	P	27.1	Very low	24.4	Very low	127 Å²	127	113 Å²	113	83%	0.825	80%	0.803	S	S	*	*				-131	164.1	114.1	37.7	-31.5	0	0	0	112.8
690	A	23	Very low	24.3	Very low	104 Å²	104	114 Å²	114	86%	0.86	80%	0.804	S	S	*	*			trans	-97.1	143.4	179.9	0	0	0	0	0	112.3
691	A	22.4	Very low	24.3	Very low	97 Å²	97	116 Å²	116	80%	0.802	81%	0.808	S	S	*	*			trans	-147.3	142.8	162.1	0	0	0	0	0	110.8
692	T	24.2	Very low	23.7	Very low	146 Å²	146	114.9 Å²	114.9	90%	0.896	81%	0.808	S	S	*	*			trans	-44.9	134.9	177.7	45.5	0	0	0	0	115.6
693	A	22.7	Very low	23.6	Very low	101 Å²	101	113.5 Å²	113.5	84%	0.835	81%	0.805	S	S	*	*			trans	-116.5	129.4	160.9	0	0	0	0	0	110
694	T	21.9	Very low	23.8	Very low	133 Å²	133	115.4 Å²	115.4	82%	0.816	80%	0.795	S	S	*	*			trans	-75.1	135.8	175.3	43.8	0	0	0	0	111.1	S696	T694-S696 PolarHBondContact O-N 2.66Å; T694-S696 VanDerWaalsContact O-N 3.16Å
695	A	22.3	Very low	24	Very low	110 Å²	110	111.8 Å²	111.8	91%	0.909	77%	0.772	S	S	*	*			trans	-75.4	102.5	176.7	0	0	0	0	0	111.7
696	S	21.9	Very low	23.9	Very low	106 Å²	106	109.5 Å²	109.5	74%	0.741	75%	0.753	S	S	*	*			trans	-99.3	103.4	163.5	57	0	0	0	0	109.4	T694 A698	T694-S696 PolarHBondContact O-N 2.66Å; T694-S696 VanDerWaalsContact O-N 3.16Å; S696-A698 PolarHBondContact O-N 2.64Å
697	A	22.4	Very low	24.4	Very low	106 Å²	106	109.1 Å²	109.1	88%	0.876	74%	0.741	S	S	*	*			trans	-75.4	86.4	178.1	0	0	0	0	0	111	G699	A697-G699 PolarHBondContact O-N 3.17Å; A697-G699 VanDerWaalsContact O-N 3.12Å
698	A	21.8	Very low	24.8	Very low	96 Å²	96	104.7 Å²	104.7	79%	0.793	72%	0.723	S	S	*	*			trans	-76.2	90.4	167.8	0	0	0	0	0	109.2	S696 T700	S696-A698 PolarHBondContact O-N 2.64Å; A698-T700 PolarHBondContact O-N 3.37Å
699	G	21.6	Very low	25.3	Very low	64 Å²	64	101 Å²	101	66%	0.66	70%	0.696	S	S	*	*			trans	-72.7	113.2	175.2	0	0	0	0	0	111.1	A697 T701	A697-G699 PolarHBondContact O-N 3.17Å; A697-G699 VanDerWaalsContact O-N 3.12Å; G699-T701 PolarHBondContact O-N 3Å
700	T	21.2	Very low	25.6	Very low	142 Å²	142	97 Å²	97	87%	0.871	67%	0.667	S	S	*	*			trans	-72.2	89.8	167.2	38.8	0	0	0	0	109.8	A698 A702	A698-T700 PolarHBondContact O-N 3.37Å; T700-A702 VanDerWaalsContact C-N 3.34Å; T700-A702 PolarHBondContact O-N 2.79Å
701	T	22.2	Very low	26.1	Very low	132 Å²	132	95.3 Å²	95.3	81%	0.81	65%	0.646	S	S	*	*			trans	-68.9	88.6	169.5	47.4	0	0	0	0	109.9	G699 A703	G699-T701 PolarHBondContact O-N 3Å; T701-A703 PolarHBondContact O-N 3.29Å
702	A	23.6	Very low	26.6	Very low	91 Å²	91	91.3 Å²	91.3	75%	0.752	61%	0.612	S	S	*	*			trans	-72.2	78.1	169.3	0	0	0	0	0	109.7	T700 M704	T700-A702 VanDerWaalsContact C-N 3.34Å; T700-A702 PolarHBondContact O-N 2.79Å; A702-M704 PolarHBondContact O-N 3.33Å; A702-M704 VanDerWaalsContact O-N 3.14Å
703	A	22.1	Very low	27	Very low	94 Å²	94	85.1 Å²	85.1	78%	0.777	58%	0.576	S	S	*	*			trans	-72.4	101.1	174	0	0	0	0	0	109.5	T701	T701-A703 PolarHBondContact O-N 3.29Å
704	M	29.2	Very low	27.2	Very low	113 Å²	113	84.3 Å²	84.3	56%	0.557	56%	0.563	S	S	*	*			trans	-96.6	115.5	170.3	-71	179.8	62.5	0	0	109.4	A702	A702-M704 PolarHBondContact O-N 3.33Å; A702-M704 VanDerWaalsContact O-N 3.14Å
705	A	26.8	Very low	27.5	Very low	41 Å²	41	81.7 Å²	81.7	34%	0.339	55%	0.549	S	S	.	.			trans	-111.9	126.7	174.2	0	0	0	0	0	109.4	R707	A705-R707 WeakPolarHBondContact O-CG 3.35Å; A705-R707 PolarHBondContact O-N 3.12Å
706	L	33.7	Very low	27.8	Very low	69 Å²	69	80.2 Å²	80.2	36%	0.361	53%	0.529	S	S	.	.	S	Bend	trans	53.2	-10.2	166	-80.5	154.9	0	0	0	120.4	D708 V709	L706-D708 VanDerWaalsContact C-N 3.26Å; L706-D708 PolarHBondContact O-N 2.87Å; L706-V709 HydrophobicContact CD2-CG2 4.26Å; L706-V709 PolarHBondContact O-N 3.08Å
707	R	34.8	Very low	28.1	Very low	142 Å²	142	78.6 Å²	78.6	54%	0.536	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.3	-169	-78.4	170.1	-179.6	-176.7	-2.2	117.3	L405 A705	L405-R707 HydrophobicContact CD2-CG 4.33Å; A705-R707 WeakPolarHBondContact O-CG 3.35Å; A705-R707 PolarHBondContact O-N 3.12Å
708	D	31.8	Very low	28.5	Very low	76 Å²	76	76.9 Å²	76.9	41%	0.406	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	8.6	-174.5	-79.7	-86.7	0	0	0	114.3	L706	L706-D708 VanDerWaalsContact C-N 3.26Å; L706-D708 PolarHBondContact O-N 2.87Å
709	V	34.7	Very low	28.9	Very low	31 Å²	31	75.7 Å²	75.7	19%	0.188	48%	0.475	C	S	.	.	S	Bend	trans	-84	113.6	170.6	179.1	0	0	0	0	107.8	M617 P621 L706 V711	M617-V709 HydrophobicContact CE-CG1 3.46Å; M617-V709 VanDerWaalsContact CE-CG1 3.46Å; M617-V709 HydrophobicContact SD-CG1 4.41Å; P621-V709 HydrophobicContact CG-CG2 3.76Å; L706-V709 HydrophobicContact CD2-CG2 4.26Å; L706-V709 PolarHBondContact O-N 3.08Å; V709-V711 VanDerWaalsContact C-N 3.25Å; V709-V711 VanDerWaalsContact O-CG2 3.32Å; V709-V711 WeakPolarHBondContact O-CG2 3.35Å; V709-V711 PolarHBondContact O-N 3.19Å
710	N	34.1	Very low	29.4	Very low	43 Å²	43	76.5 Å²	76.5	23%	0.23	46%	0.461	C	S	.	.			trans	-66.5	84.7	173.9	-79.1	-6.4	0	0	0	108.9	P311 V313 M617	P311-N710 PolarHBondContact O-ND2 3.34Å; V313-N710 WeakPolarHBondContact CG2-O 3.24Å; M617-N710 HydrophobicContact CE-CB 4.47Å; M617-N710 WeakPolarHBondContact CE-O 3.47Å; M617-N710 HydrophobicContact SD-CB 3.82Å
711	V	32.3	Very low	30.1	Very low	69 Å²	69	71.5 Å²	71.5	42%	0.418	43%	0.43	S	S	.	.			trans	-53.7	147.3	-168.7	-154	0	0	0	0	111.3	H398 V709	H398-V711 WeakPolarHBondContact NE2-CG1 3.1Å; V709-V711 VanDerWaalsContact C-N 3.25Å; V709-V711 VanDerWaalsContact O-CG2 3.32Å; V709-V711 WeakPolarHBondContact O-CG2 3.35Å; V709-V711 PolarHBondContact O-N 3.19Å
712	S	34.6	Very low	30.7	Very low	13 Å²	13	66.4 Å²	66.4	9%	0.091	40%	0.398	C	S	.	.			trans	-54.8	156	159.7	173.5	0	0	0	0	109.7	D337 Y394	D337-S712 WeakPolarHBondContact OD1-CA 3.44Å; D337-S712 PolarHBondContact OD1-OG 3.16Å; D337-S712 PolarHBondContact OD2-OG 3.2Å; Y394-S712 WeakPolarHBondContact OH-CB 3.29Å; Y394-S712 PolarHBondContact OH-O 3.39Å; Y394-S712 PolarHBondContact OH-OG 3.37Å
713	A	31.2	Very low	31.4	Very low	15 Å²	15	64.2 Å²	64.2	12%	0.124	37%	0.366	C	S	.	.			trans	-84.3	0	-165.5	0	0	0	0	0	114.8	I336 D337 H340 Q370 Y394 Y431	I336-A713 VanDerWaalsContact CG2-O 3.3Å; I336-A713 WeakPolarHBondContact CG2-O 3.37Å; D337-A713 PolarHBondContact OD1-N 3.04Å; H340-A713 HydrophobicContact CB-CB 4.02Å; H340-A713 WeakPolarHBondContact ND1-CB 3.5Å; Q370-A713 PolarHBondContact NE2-O 3.3Å; Y394-A713 VanDerWaalsContact CE1-O 3.27Å; Y394-A713 WeakPolarHBondContact CE1-O 3.45Å; Y394-A713 VanDerWaalsContact OH-C 3.28Å; Y394-A713 PolarHBondContact OH-N 3.49Å; Y394-A713 PolarHBondContact OH-O 3.27Å; Y431-A713 HydrophobicContact CE1-CB 4.45Å

Retrieved 713 of 713 residues in 2490.7 ms (Link to these results)

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