A0A087YC66_POEFO Loading...

Phospholipase B-like

Putative phospholipase.

AlphaFold DB , UniProt , Accession A0A087YC66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 560 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	35.9	Very low	31.7	Very low	244 Å²	244	148.5 Å²	148.5	100%	1.202	83%	0.834	S	S	*	*				0	119.9	0	-143.5	173.4	-76.6	0	0	106.3
2	F	28.4	Very low	31.3	Very low	204 Å²	204	144 Å²	144	90%	0.895	82%	0.82	S	S	*	*			trans	-72.5	132.1	-157.9	-86.8	-104.7	0	0	0	114.9
3	V	31.8	Very low	31	Very low	122 Å²	122	148.6 Å²	148.6	74%	0.739	83%	0.826	S	S	*	*			trans	34.4	169.7	130.7	-127.8	0	0	0	0	121.3
4	P	39.7	Very low	30.9	Very low	118 Å²	118	151.2 Å²	151.2	77%	0.766	83%	0.825	S	S	*	*				-117.7	-179.2	-118.3	39.4	-17.8	0	0	0	113.9
5	G	26	Very low	30.8	Very low	76 Å²	76	147.3 Å²	147.3	78%	0.784	82%	0.82	S	S	*	*			trans	-139.1	117.6	169.3	0	0	0	0	0	112.5
6	T	29.5	Very low	30.8	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	82%	0.815	S	S	*	*			trans	-130.2	174.8	167.6	49.2	0	0	0	0	107.8
7	P	39.5	Very low	30.7	Very low	114 Å²	114	146.8 Å²	146.8	74%	0.74	82%	0.819	S	S	*	*				-128.8	176.7	-80.7	34.3	-14.2	0	0	0	113.9
8	S	29.8	Very low	30.8	Very low	102 Å²	102	146.9 Å²	146.9	71%	0.713	82%	0.815	S	S	*	*			trans	17.2	139.9	157.9	77.8	0	0	0	0	121.9
9	K	29.5	Very low	30.6	Very low	187 Å²	187	142.4 Å²	142.4	81%	0.813	81%	0.805	S	S	*	*				-161	115	125.8	-105.3	166.3	-167.8	-174.9	0	111.7
10	T	30	Very low	30.6	Very low	140 Å²	140	143 Å²	143	86%	0.859	81%	0.805	S	S	*	*			trans	-61.4	132.9	161.4	38.5	0	0	0	0	110.7
11	F	28.9	Very low	30.4	Very low	193 Å²	193	141.1 Å²	141.1	85%	0.846	80%	0.801	S	S	*	*			trans	-117.5	128.4	165.9	-98.7	-85	0	0	0	110.8
12	S	26.3	Very low	30.1	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	78%	0.776	S	S	*	*			trans	-70.8	134.9	-176	-171.4	0	0	0	0	111.7	F14	S12-F14 PolarHBondContact O-N 2.68Å
13	F	28.1	Very low	30.2	Very low	204 Å²	204	133.3 Å²	133.3	90%	0.895	77%	0.772	S	S	*	*			trans	-70.2	120.7	162.6	-93.2	-100.1	0	0	0	109.1
14	F	28.9	Very low	30.1	Very low	185 Å²	185	133.3 Å²	133.3	81%	0.811	78%	0.776	S	S	*	*			trans	-110.1	105.7	158.4	-100.7	-85.2	0	0	0	107.3	S12	S12-F14 PolarHBondContact O-N 2.68Å
15	A	29.8	Very low	29.8	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	78%	0.776	S	S	*	*			trans	-80.4	111.6	167.3	0	0	0	0	0	108
16	T	30.4	Very low	30.3	Very low	120 Å²	120	133.4 Å²	133.4	74%	0.736	77%	0.773	S	S	*	*			trans	-93.4	109.2	168.2	-32.7	0	0	0	0	107.4	I18	T16-I18 PolarHBondContact O-N 2.99Å; T16-I18 VanDerWaalsContact O-N 3.09Å
17	L	28.8	Very low	31.4	Very low	167 Å²	167	130.5 Å²	130.5	87%	0.874	76%	0.762	S	S	*	*			trans	-64.8	103.1	169.4	-119.6	98.9	0	0	0	107.9
18	I	33.4	Very low	32.5	Very low	148 Å²	148	127.4 Å²	127.4	76%	0.759	75%	0.751	S	S	*	*			trans	-88.5	106.1	162.2	-64.1	174	0	0	0	105.6	T16 L20	T16-I18 PolarHBondContact O-N 2.99Å; T16-I18 VanDerWaalsContact O-N 3.09Å; I18-L20 PolarHBondContact O-N 2.83Å
19	G	27.2	Very low	35.1	Very low	61 Å²	61	127.1 Å²	127.1	63%	0.629	74%	0.741	S	S	*	*			trans	-61.8	114.6	171.5	0	0	0	0	0	109.6	C21	G19-C21 VanDerWaalsContact C-N 3.32Å; G19-C21 PolarHBondContact O-N 2.99Å
20	L	30	Very low	38.2	Very low	154 Å²	154	122 Å²	122	81%	0.806	72%	0.72	S	S	*	*			trans	-65.6	96.5	160.4	-96.9	92.6	0	0	0	107.7	I18 C22	I18-L20 PolarHBondContact O-N 2.83Å; L20-C22 PolarHBondContact O-N 3.5Å
21	C	27.6	Very low	41.4	Very low	104 Å²	104	117.7 Å²	117.7	70%	0.703	69%	0.692	S	S	*	*			trans	-71.5	89.7	153.3	-81	0	0	0	0	107.3	G19 F23	G19-C21 VanDerWaalsContact C-N 3.32Å; G19-C21 PolarHBondContact O-N 2.99Å; C21-F23 HydrophobicContact CB-CD2 4.01Å; C21-F23 HydrophobicContact CB-CE2 4.04Å; C21-F23 PolarHBondContact O-N 3.21Å
22	C	29.4	Very low	44.7	Very low	103 Å²	103	109.4 Å²	109.4	70%	0.696	66%	0.656	S	S	*	*			trans	-64.6	85.7	158.2	-79.4	0	0	0	0	108	L20 C24	L20-C22 PolarHBondContact O-N 3.5Å; C22-C24 VanDerWaalsContact C-N 3.34Å; C22-C24 PolarHBondContact O-N 3.33Å
23	F	29.7	Very low	48.2	Very low	182 Å²	182	104.9 Å²	104.9	80%	0.798	62%	0.624	S	S	*	*			trans	-67.4	101.3	158.3	-84.5	-82.7	0	0	0	107	C21 A25	C21-F23 HydrophobicContact CB-CD2 4.01Å; C21-F23 HydrophobicContact CB-CE2 4.04Å; C21-F23 PolarHBondContact O-N 3.21Å; F23-A25 PolarHBondContact O-N 3.08Å
24	C	30	Very low	51.5	Low	121 Å²	121	95.2 Å²	95.2	82%	0.818	58%	0.582	S	S	*	*			trans	-63	91.3	152.7	-71.8	0	0	0	0	106	C22 S26	C22-C24 VanDerWaalsContact C-N 3.34Å; C22-C24 PolarHBondContact O-N 3.33Å; C24-S26 PolarHBondContact O-N 2.74Å
25	A	33.3	Very low	54.8	Low	93 Å²	93	86.7 Å²	86.7	77%	0.769	54%	0.544	S	S	*	.			trans	-63.7	100.9	169.3	0	0	0	0	0	107.1	F23	F23-A25 PolarHBondContact O-N 3.08Å
26	S	36.6	Very low	58	Low	103 Å²	103	84.2 Å²	84.2	72%	0.72	52%	0.518	S	S	*	.			trans	-52.1	137.5	152.7	52.6	0	0	0	0	107.3	C24 G28	C24-S26 PolarHBondContact O-N 2.74Å; S26-G28 PolarHBondContact O-N 3.37Å
27	A	51.5	Low	61	Low	72 Å²	72	80.6 Å²	80.6	60%	0.595	49%	0.494	S	S	*	.			trans	-58.3	86.4	172.6	0	0	0	0	0	109.2
28	G	62.6	Low	64	Low	49 Å²	49	81.2 Å²	81.2	51%	0.505	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-90.7	141.1	175.4	0	0	0	0	0	108	S26 E30	S26-G28 PolarHBondContact O-N 3.37Å; G28-E30 PolarHBondContact O-N 3.36Å
29	N	84.9	Confident	66.8	Low	96 Å²	96	84.6 Å²	84.6	51%	0.513	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-63.5	122.3	171.1	-72.5	-2.6	0	0	0	109	N58 T60	N29-N58 WeakPolarHBondContact CB-OD1 3.42Å; N29-T60 PolarHBondContact OD1-OG1 3.32Å
30	E	95.3	Very high	69.8	Low	79 Å²	79	85.7 Å²	85.7	37%	0.369	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.6	171.9	-171	178.7	162.4	0	0	108.9	G28 N58 F59 V95	G28-E30 PolarHBondContact O-N 3.36Å; E30-N58 CarbonylContact O-C 3.58Å; E30-N58 WeakPolarHBondContact O-CA 3.44Å; E30-F59 PolarHBondContact N-O 3.14Å; E30-F59 PolarHBondContact O-N 3.33Å; E30-V95 HydrophobicContact CG-CG1 4.11Å
31	I	97.4	Very high	72.8	Confident	51 Å²	51	81 Å²	81	26%	0.262	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126	178.9	-60.7	177.4	0	0	0	108.5	G48 W56 A57	I31-G48 WeakPolarHBondContact O-CA 3.47Å; I31-G48 PolarHBondContact O-N 3.09Å; I31-W56 HydrophobicContact CG2-CE3 3.84Å; I31-W56 HydrophobicContact CG2-CZ3 4.17Å; I31-A57 VanDerWaalsContact CA-O 3.3Å; I31-A57 WeakPolarHBondContact CA-O 3.37Å
32	Q	98.1	Very high	75.9	Confident	19 Å²	19	80.9 Å²	80.9	9%	0.089	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.1	174.5	-67.5	-70.7	-18.6	0	0	109.5	I45 V46 D47 W56 A57 S94 V95	Q32-I45 HydrophobicContact CB-CG2 4.08Å; Q32-I45 HydrophobicContact CG-CG2 4.47Å; Q32-I45 VanDerWaalsContact OE1-CG2 3.24Å; Q32-V46 PolarHBondContact OE1-O 2.81Å; Q32-D47 PolarHBondContact NE2-OD1 3.35Å; Q32-D47 PolarHBondContact OE1-OD1 2.82Å; Q32-W56 CarbonylContact O-C 3.53Å; Q32-W56 VanDerWaalsContact O-CA 3.23Å; Q32-W56 WeakPolarHBondContact O-CA 3.48Å; Q32-W56 WeakPolarHBondContact O-CB 3.17Å; Q32-A57 PolarHBondContact N-O 3.27Å; Q32-A57 VanDerWaalsContact N-O 3.15Å; Q32-A57 PolarHBondContact O-N 2.7Å; Q32-S94 WeakPolarHBondContact CB-OG 3.31Å; Q32-V95 HydrophobicContact CB-CG1 3.6Å; Q32-V95 HydrophobicContact CG-CG1 3.27Å
33	T	98.6	Very high	79.1	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.6	-179.1	-60.2	0	0	0	0	110.9	I35 I45 V46 G48 Y49 R50 F53 W56	T33-I35 HydrophobicContact CG2-CG2 3.81Å; T33-I45 CarbonylContact O-C 3.59Å; T33-I45 WeakPolarHBondContact O-CA 3.5Å; T33-V46 PolarHBondContact N-O 2.85Å; T33-V46 WeakPolarHBondContact O-CG2 2.98Å; T33-V46 PolarHBondContact O-N 2.76Å; T33-G48 WeakPolarHBondContact CB-O 3.45Å; T33-G48 PolarHBondContact OG1-O 2.83Å; T33-Y49 WeakPolarHBondContact OG1-CA 3.49Å; T33-R50 HydrophobicContact CG2-CB 4.11Å; T33-R50 HydrophobicContact CG2-CG 4.35Å; T33-R50 PolarHBondContact OG1-N 3.31Å; T33-F53 HydrophobicContact CG2-CB 3.36Å; T33-W56 HydrophobicContact CG2-CB 4.16Å
34	A	98.5	Very high	82.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125	166.8	0	0	0	0	0	110.6	L43 T44 I45 V54 A55 A87 V91	A34-L43 HydrophobicContact CB-CD1 4.02Å; A34-L43 HydrophobicContact CB-CD2 4.36Å; A34-L43 HydrophobicContact CB-CG 4.26Å; A34-T44 CarbonylContact C-O 3.6Å; A34-T44 WeakPolarHBondContact CA-O 3.48Å; A34-I45 HydrophobicContact CB-CD1 3.63Å; A34-V54 PolarHBondContact O-N 2.99Å; A34-A55 HydrophobicContact CB-CB 4.49Å; A34-A55 PolarHBondContact N-O 3.34Å; A34-A55 PolarHBondContact O-N 3.24Å; A34-A87 HydrophobicContact CB-CB 3.9Å; A34-V91 HydrophobicContact CB-CG1 3.5Å; A34-V91 VanDerWaalsContact CB-CG1 3.5Å
35	I	98.1	Very high	85.5	Confident	6 Å²	6	66.1 Å²	66.1	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.3	178.2	62.4	173.3	0	0	0	110.8	T33 L43 T44 V46 R50	T33-I35 HydrophobicContact CG2-CG2 3.81Å; I35-L43 CarbonylContact O-C 3.58Å; I35-L43 WeakPolarHBondContact O-CA 3.21Å; I35-T44 WeakPolarHBondContact CG1-OG1 3.44Å; I35-T44 PolarHBondContact N-O 3.32Å; I35-T44 PolarHBondContact O-N 2.67Å; I35-V46 HydrophobicContact CD1-CG1 3.85Å; I35-V46 HydrophobicContact CD1-CG2 4.21Å; I35-V46 HydrophobicContact CG1-CG1 4.32Å; I35-V46 HydrophobicContact CG1-CG2 4.47Å; I35-V46 HydrophobicContact CG2-CG2 4.37Å; I35-R50 HydrophobicContact CG2-CB 4.49Å
36	I	96.9	Very high	88.6	Confident	41 Å²	41	63.6 Å²	63.6	21%	0.21	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.8	164.7	-53.3	-58.4	0	0	0	108	K38 L43 V54 Y79 I83	I36-K38 PolarHBondContact O-N 3.09Å; I36-L43 HydrophobicContact CD1-CB 4.34Å; I36-L43 HydrophobicContact CD1-CD1 3.65Å; I36-V54 HydrophobicContact CD1-CG2 3.9Å; I36-V54 HydrophobicContact CG1-CG2 3.72Å; I36-Y79 HydrophobicContact CG1-CD1 4.38Å; I36-Y79 HydrophobicContact CG1-CE1 3.8Å; I36-I83 HydrophobicContact CD1-CD1 3.43Å; I36-I83 VanDerWaalsContact CD1-CD1 3.43Å; I36-I83 HydrophobicContact CD1-CG1 4.39Å
37	D	93.3	Very high	91.5	Very high	43 Å²	43	65.2 Å²	65.2	23%	0.23	36%	0.358	C	S	.	.			trans	-63.1	127.2	175.4	-179.1	-78.7	0	0	0	109.8	Y39 T40 G41 Q42 T44	D37-Y39 VanDerWaalsContact C-N 3.25Å; D37-Y39 PolarHBondContact O-N 3.34Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.28Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.37Å; D37-Y39 PolarHBondContact OD1-N 3.26Å; D37-T40 WeakPolarHBondContact CB-OG1 3.19Å; D37-T40 PolarHBondContact OD1-N 3.44Å; D37-T40 PolarHBondContact OD1-OG1 2.81Å; D37-G41 WeakPolarHBondContact O-CA 3.12Å; D37-G41 PolarHBondContact O-N 3.26Å; D37-Q42 PolarHBondContact N-O 3.35Å; D37-T44 HydrophobicContact CB-CG2 4.1Å
38	K	91.1	Very high	93.6	Very high	181 Å²	181	63.2 Å²	63.2	79%	0.787	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.1	-173.2	-66.6	-177.9	-178.7	175.4	0	113.4	I36	I36-K38 PolarHBondContact O-N 3.09Å
39	Y	91.7	Very high	95.3	Very high	219 Å²	219	66.6 Å²	66.6	86%	0.859	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-42.2	-177.7	-59.2	-77.8	0	0	0	111.5	D37	D37-Y39 VanDerWaalsContact C-N 3.25Å; D37-Y39 PolarHBondContact O-N 3.34Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.28Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.37Å; D37-Y39 PolarHBondContact OD1-N 3.26Å
40	T	91.8	Very high	95.8	Very high	84 Å²	84	66.2 Å²	66.2	52%	0.515	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-22	-178.3	70.2	0	0	0	0	112.8	D37 Q42	D37-T40 WeakPolarHBondContact CB-OG1 3.19Å; D37-T40 PolarHBondContact OD1-N 3.44Å; D37-T40 PolarHBondContact OD1-OG1 2.81Å; T40-Q42 PolarHBondContact O-N 3.15Å; T40-Q42 WeakPolarHBondContact OG1-CB 3.36Å; T40-Q42 PolarHBondContact OG1-N 3.49Å
41	G	91.6	Very high	95.8	Very high	54 Å²	54	70 Å²	70	56%	0.557	35%	0.351	S	S	*	.			trans	69.3	8	-171.8	0	0	0	0	0	113.7	D37	D37-G41 WeakPolarHBondContact O-CA 3.12Å; D37-G41 PolarHBondContact O-N 3.26Å
42	Q	93.3	Very high	95.8	Very high	102 Å²	102	69.6 Å²	69.6	48%	0.477	35%	0.349	S	S	.	.	S	Bend	trans	-95.2	155.1	-177.3	-63	-175.2	-8.4	0	0	111.5	D37 T40	D37-Q42 PolarHBondContact N-O 3.35Å; T40-Q42 PolarHBondContact O-N 3.15Å; T40-Q42 WeakPolarHBondContact OG1-CB 3.36Å; T40-Q42 PolarHBondContact OG1-N 3.49Å
43	L	96.6	Very high	95.8	Very high	11 Å²	11	69.9 Å²	69.9	6%	0.058	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.5	170.7	-167.3	79.4	0	0	0	109.2	A34 I35 I36 V54 Y86 A87 A90	A34-L43 HydrophobicContact CB-CD1 4.02Å; A34-L43 HydrophobicContact CB-CD2 4.36Å; A34-L43 HydrophobicContact CB-CG 4.26Å; I35-L43 CarbonylContact O-C 3.58Å; I35-L43 WeakPolarHBondContact O-CA 3.21Å; I36-L43 HydrophobicContact CD1-CB 4.34Å; I36-L43 HydrophobicContact CD1-CD1 3.65Å; L43-V54 HydrophobicContact CD1-CB 4.17Å; L43-V54 HydrophobicContact CD1-CG1 4.46Å; L43-V54 HydrophobicContact CD1-CG2 3.9Å; L43-Y86 HydrophobicContact CD2-CD1 3.7Å; L43-Y86 HydrophobicContact CD2-CE1 3.91Å; L43-A87 HydrophobicContact CD1-CB 4.07Å; L43-A87 HydrophobicContact CD2-CB 3.83Å; L43-A90 HydrophobicContact CD2-CB 4.5Å
44	T	96.9	Very high	95.8	Very high	42 Å²	42	69.9 Å²	69.9	26%	0.258	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.9	176.1	59.6	0	0	0	0	110.5	A34 I35 D37	A34-T44 CarbonylContact C-O 3.6Å; A34-T44 WeakPolarHBondContact CA-O 3.48Å; I35-T44 WeakPolarHBondContact CG1-OG1 3.44Å; I35-T44 PolarHBondContact N-O 3.32Å; I35-T44 PolarHBondContact O-N 2.67Å; D37-T44 HydrophobicContact CB-CG2 4.1Å
45	I	97.9	Very high	95.8	Very high	44 Å²	44	69.9 Å²	69.9	23%	0.226	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136	173.9	-55.3	-56.2	0	0	0	108.8	Q32 T33 A34 A90 V91 L170	Q32-I45 HydrophobicContact CB-CG2 4.08Å; Q32-I45 HydrophobicContact CG-CG2 4.47Å; Q32-I45 VanDerWaalsContact OE1-CG2 3.24Å; T33-I45 CarbonylContact O-C 3.59Å; T33-I45 WeakPolarHBondContact O-CA 3.5Å; A34-I45 HydrophobicContact CB-CD1 3.63Å; I45-A90 HydrophobicContact CD1-CB 4.08Å; I45-V91 HydrophobicContact CD1-CG1 3.95Å; I45-L170 HydrophobicContact CD1-CD1 4.12Å; I45-L170 HydrophobicContact CG1-CD1 3.66Å
46	V	97.4	Very high	95.8	Very high	40 Å²	40	71.9 Å²	71.9	24%	0.242	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.1	176.3	-61	0	0	0	0	110.6	Q32 T33 I35 R50	Q32-V46 PolarHBondContact OE1-O 2.81Å; T33-V46 PolarHBondContact N-O 2.85Å; T33-V46 WeakPolarHBondContact O-CG2 2.98Å; T33-V46 PolarHBondContact O-N 2.76Å; I35-V46 HydrophobicContact CD1-CG1 3.85Å; I35-V46 HydrophobicContact CD1-CG2 4.21Å; I35-V46 HydrophobicContact CG1-CG1 4.32Å; I35-V46 HydrophobicContact CG1-CG2 4.47Å; I35-V46 HydrophobicContact CG2-CG2 4.37Å; V46-R50 HydrophobicContact CG2-CG 3.94Å
47	D	97.4	Very high	95.9	Very high	137 Å²	137	69.9 Å²	69.9	73%	0.733	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	140.5	176.3	-62.4	-27.8	0	0	0	111.4	Q32	Q32-D47 PolarHBondContact NE2-OD1 3.35Å; Q32-D47 PolarHBondContact OE1-OD1 2.82Å
48	G	96.9	Very high	96.1	Very high	29 Å²	29	68.7 Å²	68.7	30%	0.299	34%	0.341	S	S	.	.	S	Bend	trans	80.5	173.1	176.8	0	0	0	0	0	114.1	I31 T33	I31-G48 WeakPolarHBondContact O-CA 3.47Å; I31-G48 PolarHBondContact O-N 3.09Å; T33-G48 WeakPolarHBondContact CB-O 3.45Å; T33-G48 PolarHBondContact OG1-O 2.83Å
49	Y	96.8	Very high	96.4	Very high	120 Å²	120	60.7 Å²	60.7	47%	0.471	31%	0.306	S	S	.	.			trans	-76	137.8	178.1	177.3	-97.5	0	0	0	111.1	T33 E51 F53 W56	T33-Y49 WeakPolarHBondContact OG1-CA 3.49Å; Y49-E51 HydrophobicContact CE1-CG 4.04Å; Y49-F53 HydrophobicContact CE2-CD1 4.22Å; Y49-F53 HydrophobicContact CE2-CE1 4.26Å; Y49-W56 AromaticContact CD2-CD2 3.94Å; Y49-W56 HydrophobicContact CD2-CD2 3.94Å; Y49-W56 HydrophobicContact CD2-CE3 4.27Å; Y49-W56 HydrophobicContact CD2-CG 4.15Å; Y49-W56 HydrophobicContact CE2-CD2 4.24Å; Y49-W56 AromaticContact CE2-CE2 4Å; Y49-W56 HydrophobicContact CE2-CG 4.28Å; Y49-W56 AromaticContact CE2-NE1 3.83Å
50	R	96.7	Very high	96.7	Very high	89 Å²	89	51.7 Å²	51.7	34%	0.336	27%	0.274	S	S	.	.			trans	-128.8	143	165.2	-49.6	-140.3	-35.2	-165.8	3	112.5	T33 I35 V46 D52 F53	T33-R50 HydrophobicContact CG2-CB 4.11Å; T33-R50 HydrophobicContact CG2-CG 4.35Å; T33-R50 PolarHBondContact OG1-N 3.31Å; I35-R50 HydrophobicContact CG2-CB 4.49Å; V46-R50 HydrophobicContact CG2-CG 3.94Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 IonicContact CZ-OD1 2.79Å; R50-D52 IonicContact CZ-OD2 3.19Å; R50-D52 IonicContact NE-OD1 2.78Å; R50-D52 PolarHBondContact NE-OD1 3.09Å; R50-D52 IonicContact NH2-OD1 2.99Å; R50-D52 PolarHBondContact NH2-OD1 3.27Å; R50-D52 IonicContact NH2-OD2 2.85Å; R50-D52 PolarHBondContact NH2-OD2 3.4Å; R50-D52 PolarHBondContact O-N 3.39Å; R50-F53 WeakPolarHBondContact O-CB 3.25Å; R50-F53 WeakPolarHBondContact O-CD1 3.19Å; R50-F53 PolarHBondContact O-N 2.91Å
51	E	95.4	Very high	96.9	Very high	158 Å²	158	51.1 Å²	51.1	74%	0.738	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.6	179.1	-69.4	-172.7	172.1	0	0	114.4	Y49 F53 R78	Y49-E51 HydrophobicContact CE1-CG 4.04Å; E51-F53 VanDerWaalsContact C-N 3.31Å; E51-F53 PolarHBondContact O-N 3.3Å; E51-R78 PolarHBondContact O-NH1 2.76Å; E51-R78 PolarHBondContact O-NH2 3.1Å
52	D	96.3	Very high	97.2	Very high	42 Å²	42	50.3 Å²	50.3	23%	0.225	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	24	179.6	68.7	-22.1	0	0	0	113.5	R50 R78 Y79	R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 IonicContact CZ-OD1 2.79Å; R50-D52 IonicContact CZ-OD2 3.19Å; R50-D52 IonicContact NE-OD1 2.78Å; R50-D52 PolarHBondContact NE-OD1 3.09Å; R50-D52 IonicContact NH2-OD1 2.99Å; R50-D52 PolarHBondContact NH2-OD1 3.27Å; R50-D52 IonicContact NH2-OD2 2.85Å; R50-D52 PolarHBondContact NH2-OD2 3.4Å; R50-D52 PolarHBondContact O-N 3.39Å; D52-R78 VanDerWaalsContact C-NH2 3.33Å; D52-Y79 PolarHBondContact O-OH 2.81Å
53	F	98.1	Very high	97.3	Very high	25 Å²	25	45.7 Å²	45.7	11%	0.11	23%	0.229	C	C	.	.			trans	-56.2	141.6	176.5	70.5	-84.8	0	0	0	113.9	T33 Y49 R50 E51 W56 T74 S76 R78 Y79	T33-F53 HydrophobicContact CG2-CB 3.36Å; Y49-F53 HydrophobicContact CE2-CD1 4.22Å; Y49-F53 HydrophobicContact CE2-CE1 4.26Å; R50-F53 WeakPolarHBondContact O-CB 3.25Å; R50-F53 WeakPolarHBondContact O-CD1 3.19Å; R50-F53 PolarHBondContact O-N 2.91Å; E51-F53 VanDerWaalsContact C-N 3.31Å; E51-F53 PolarHBondContact O-N 3.3Å; F53-W56 AromaticContact CD2-CD1 3.63Å; F53-W56 AromaticContact CE2-CD1 3.71Å; F53-W56 AromaticContact CG-CD1 3.91Å; F53-T74 HydrophobicContact CE2-CG2 4.2Å; F53-T74 HydrophobicContact CZ-CG2 4.47Å; F53-S76 WeakPolarHBondContact O-CB 3.26Å; F53-S76 PolarHBondContact O-OG 3.22Å; F53-R78 PolarHBondContact O-NH2 3.03Å; F53-Y79 VanDerWaalsContact O-CE2 3.28Å; F53-Y79 WeakPolarHBondContact O-CE2 3.37Å
54	V	98.6	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-80.2	-48.5	157.4	-176.7	0	0	0	0	109.1	A34 I36 L43 T75 S76 Y79 I83 A87	A34-V54 PolarHBondContact O-N 2.99Å; I36-V54 HydrophobicContact CD1-CG2 3.9Å; I36-V54 HydrophobicContact CG1-CG2 3.72Å; L43-V54 HydrophobicContact CD1-CB 4.17Å; L43-V54 HydrophobicContact CD1-CG1 4.46Å; L43-V54 HydrophobicContact CD1-CG2 3.9Å; V54-T75 WeakPolarHBondContact O-CA 3.48Å; V54-S76 PolarHBondContact O-N 3.28Å; V54-Y79 HydrophobicContact CB-CD2 4.15Å; V54-Y79 HydrophobicContact CB-CE2 4.3Å; V54-Y79 HydrophobicContact CB-CG 4.45Å; V54-Y79 HydrophobicContact CG1-CD2 4.2Å; V54-Y79 HydrophobicContact CG1-CG 4.16Å; V54-Y79 HydrophobicContact CG2-CD1 3.99Å; V54-Y79 HydrophobicContact CG2-CD2 3.93Å; V54-Y79 HydrophobicContact CG2-CE1 3.85Å; V54-Y79 HydrophobicContact CG2-CE2 3.81Å; V54-Y79 HydrophobicContact CG2-CG 4.04Å; V54-I83 HydrophobicContact CG1-CG1 4.41Å; V54-I83 HydrophobicContact CG1-CG2 4.2Å; V54-A87 HydrophobicContact CB-CB 4.06Å; V54-A87 HydrophobicContact CG1-CB 3.59Å
55	A	98.8	Very high	97.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156	172.4	0	0	0	0	0	109.8	A34 T74 T75 A87 V91	A34-A55 HydrophobicContact CB-CB 4.49Å; A34-A55 PolarHBondContact N-O 3.34Å; A34-A55 PolarHBondContact O-N 3.24Å; A55-T74 CarbonylContact C-O 3.49Å; A55-T74 WeakPolarHBondContact CA-O 3.45Å; A55-T75 HydrophobicContact CB-CG2 3.97Å; A55-A87 HydrophobicContact CB-CB 3.71Å; A55-V91 HydrophobicContact CB-CG1 4.29Å; A55-V91 HydrophobicContact CB-CG2 4.02Å
56	W	98.6	Very high	97.3	Very high	48 Å²	48	56 Å²	56	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.6	168.1	72.1	-82.1	0	0	0	110	I31 Q32 T33 Y49 F53 N58 V73 T74	I31-W56 HydrophobicContact CG2-CE3 3.84Å; I31-W56 HydrophobicContact CG2-CZ3 4.17Å; Q32-W56 CarbonylContact O-C 3.53Å; Q32-W56 VanDerWaalsContact O-CA 3.23Å; Q32-W56 WeakPolarHBondContact O-CA 3.48Å; Q32-W56 WeakPolarHBondContact O-CB 3.17Å; T33-W56 HydrophobicContact CG2-CB 4.16Å; Y49-W56 AromaticContact CD2-CD2 3.94Å; Y49-W56 HydrophobicContact CD2-CD2 3.94Å; Y49-W56 HydrophobicContact CD2-CE3 4.27Å; Y49-W56 HydrophobicContact CD2-CG 4.15Å; Y49-W56 HydrophobicContact CE2-CD2 4.24Å; Y49-W56 AromaticContact CE2-CE2 4Å; Y49-W56 HydrophobicContact CE2-CG 4.28Å; Y49-W56 AromaticContact CE2-NE1 3.83Å; F53-W56 AromaticContact CD2-CD1 3.63Å; F53-W56 AromaticContact CE2-CD1 3.71Å; F53-W56 AromaticContact CG-CD1 3.91Å; W56-N58 HydrophobicContact CE3-CB 4.41Å; W56-N58 HydrophobicContact CH2-CB 4.19Å; W56-N58 HydrophobicContact CZ3-CB 3.62Å; W56-V73 WeakPolarHBondContact O-CA 3.47Å; W56-T74 PolarHBondContact N-O 2.89Å; W56-T74 PolarHBondContact O-N 2.85Å
57	A	98.4	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.4	177	0	0	0	0	0	111	I31 Q32 L71 E72 V73 V91 V95	I31-A57 VanDerWaalsContact CA-O 3.3Å; I31-A57 WeakPolarHBondContact CA-O 3.37Å; Q32-A57 PolarHBondContact N-O 3.27Å; Q32-A57 VanDerWaalsContact N-O 3.15Å; Q32-A57 PolarHBondContact O-N 2.7Å; A57-L71 HydrophobicContact CB-CD1 4.1Å; A57-E72 CarbonylContact C-O 3.6Å; A57-E72 WeakPolarHBondContact CA-O 3.32Å; A57-V73 HydrophobicContact CB-CG2 4.17Å; A57-V91 HydrophobicContact CB-CB 3.84Å; A57-V91 HydrophobicContact CB-CG2 3.87Å; A57-V91 WeakPolarHBondContact CB-O 3.5Å; A57-V95 HydrophobicContact CB-CG1 4.21Å; A57-V95 HydrophobicContact CB-CG2 3.93Å
58	N	97.6	Very high	97.3	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123	166.6	-168.9	5.7	0	0	0	108.3	N29 E30 W56 L71 E72	N29-N58 WeakPolarHBondContact CB-OD1 3.42Å; E30-N58 CarbonylContact O-C 3.58Å; E30-N58 WeakPolarHBondContact O-CA 3.44Å; W56-N58 HydrophobicContact CE3-CB 4.41Å; W56-N58 HydrophobicContact CH2-CB 4.19Å; W56-N58 HydrophobicContact CZ3-CB 3.62Å; N58-L71 CarbonylContact O-C 3.6Å; N58-L71 WeakPolarHBondContact O-CA 3.47Å; N58-E72 HydrophobicContact CB-CB 4.31Å; N58-E72 PolarHBondContact N-O 2.81Å; N58-E72 PolarHBondContact O-N 2.64Å
59	F	98	Very high	97.4	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.057	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.1	-176.5	179.4	-110.8	0	0	0	111.7	E30 D61 S69 F70 L71 V95 T96 L99 I243	E30-F59 PolarHBondContact N-O 3.14Å; E30-F59 PolarHBondContact O-N 3.33Å; F59-D61 HydrophobicContact CE1-CB 3.79Å; F59-D61 HydrophobicContact CZ-CB 3.82Å; F59-S69 VanDerWaalsContact CE2-CB 3.47Å; F59-F70 WeakPolarHBondContact CA-O 3.47Å; F59-F70 VanDerWaalsContact CD2-O 3.22Å; F59-F70 WeakPolarHBondContact CD2-O 3.49Å; F59-L71 HydrophobicContact CB-CD1 4.2Å; F59-L71 HydrophobicContact CD2-CB 4.21Å; F59-L71 HydrophobicContact CD2-CD1 4.27Å; F59-V95 HydrophobicContact CB-CB 3.68Å; F59-V95 HydrophobicContact CB-CG1 4.37Å; F59-V95 HydrophobicContact CB-CG2 3.58Å; F59-V95 HydrophobicContact CD1-CB 4.36Å; F59-V95 VanDerWaalsContact CD1-O 3.24Å; F59-V95 WeakPolarHBondContact CD1-O 3.44Å; F59-V95 HydrophobicContact CG-CB 4.18Å; F59-V95 HydrophobicContact CG-CG2 4.07Å; F59-T96 HydrophobicContact CD2-CG2 3.85Å; F59-T96 HydrophobicContact CE2-CG2 3.88Å; F59-T96 HydrophobicContact CG-CG2 4.32Å; F59-T96 HydrophobicContact CZ-CG2 4.38Å; F59-L99 HydrophobicContact CE1-CD1 4.49Å; F59-L99 HydrophobicContact CE2-CD1 4.25Å; F59-L99 HydrophobicContact CZ-CD1 3.56Å; F59-I243 HydrophobicContact CE2-CD1 4.32Å
60	T	97.3	Very high	97.5	Very high	31 Å²	31	42.5 Å²	42.5	19%	0.19	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	112.9	175.2	-48.4	0	0	0	0	108.5	N29 S69 F70	N29-T60 PolarHBondContact OD1-OG1 3.32Å; T60-S69 CarbonylContact O-C 3.57Å; T60-S69 VanDerWaalsContact O-CA 3.29Å; T60-S69 WeakPolarHBondContact O-CA 3.23Å; T60-S69 WeakPolarHBondContact O-CB 3.49Å; T60-F70 PolarHBondContact N-O 3.42Å; T60-F70 PolarHBondContact O-N 3.26Å
61	D	96.8	Very high	97.6	Very high	71 Å²	71	38.2 Å²	38.2	38%	0.38	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	112.3	172	-171.1	12.1	0	0	0	111.2	F59 I63 S69	F59-D61 HydrophobicContact CE1-CB 3.79Å; F59-D61 HydrophobicContact CZ-CB 3.82Å; D61-I63 WeakPolarHBondContact OD1-CG1 3.3Å; D61-I63 PolarHBondContact OD1-N 2.81Å; D61-S69 PolarHBondContact OD1-OG 2.92Å
62	D	96.4	Very high	97.7	Very high	38 Å²	38	31.6 Å²	31.6	20%	0.203	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	24.5	177.6	-167.2	39.7	0	0	0	112.7	K64 T65 T66 W68 F70	D62-K64 PolarHBondContact O-N 3.09Å; D62-K64 VanDerWaalsContact O-N 3.12Å; D62-T65 PolarHBondContact O-N 3.05Å; D62-T65 WeakPolarHBondContact OD1-CB 3.43Å; D62-T65 PolarHBondContact OD1-OG1 3.42Å; D62-T66 PolarHBondContact O-N 3.1Å; D62-T66 PolarHBondContact O-OG1 3.49Å; D62-T66 VanDerWaalsContact O-OG1 3.08Å; D62-T66 WeakPolarHBondContact OD2-CG2 3.45Å; D62-T66 PolarHBondContact OD2-OG1 3.39Å; D62-W68 CarbonylContact C-O 3.56Å; D62-W68 WeakPolarHBondContact CA-O 3.44Å; D62-W68 PolarHBondContact N-O 3.11Å; D62-F70 HydrophobicContact CB-CE2 4.25Å
63	I	97.3	Very high	97.8	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-55.4	-35.9	-179.4	-72.7	170.3	0	0	0	111.8	D61 T65 G67 W68 S69 L99 L241 F551	D61-I63 WeakPolarHBondContact OD1-CG1 3.3Å; D61-I63 PolarHBondContact OD1-N 2.81Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 2.9Å; I63-G67 WeakPolarHBondContact O-CA 3.37Å; I63-G67 PolarHBondContact O-N 3.45Å; I63-W68 PolarHBondContact N-O 3.5Å; I63-S69 VanDerWaalsContact CD1-OG 3.23Å; I63-S69 WeakPolarHBondContact CD1-OG 3.44Å; I63-S69 VanDerWaalsContact CG1-OG 3.3Å; I63-S69 WeakPolarHBondContact CG1-OG 3.4Å; I63-L99 HydrophobicContact CD1-CD1 4.14Å; I63-L99 HydrophobicContact CD1-CD2 4.04Å; I63-L241 HydrophobicContact CD1-CD2 3.77Å; I63-F551 VanDerWaalsContact O-CZ 3.27Å; I63-F551 WeakPolarHBondContact O-CZ 3.49Å
64	K	96.4	Very high	97.8	Very high	194 Å²	194	29.4 Å²	29.4	84%	0.843	15%	0.148	S	C	*	.	H	α-helix	trans	-65.9	-30.5	-179.8	-69.5	-178.5	-178.8	172.5	0	113.4	D62	D62-K64 PolarHBondContact O-N 3.09Å; D62-K64 VanDerWaalsContact O-N 3.12Å
65	T	96.3	Very high	97.9	Very high	100 Å²	100	29.8 Å²	29.8	61%	0.613	15%	0.15	S	C	*	.	H	α-helix	trans	-99	-40.9	-174.8	-41.1	0	0	0	0	111.7	D62 I63 F551	D62-T65 PolarHBondContact O-N 3.05Å; D62-T65 WeakPolarHBondContact OD1-CB 3.43Å; D62-T65 PolarHBondContact OD1-OG1 3.42Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 2.9Å; T65-F551 VanDerWaalsContact O-CD1 3.25Å; T65-F551 WeakPolarHBondContact O-CD1 3.49Å; T65-F551 WeakPolarHBondContact O-CE1 3.35Å
66	T	97.1	Very high	97.8	Very high	21 Å²	21	30.1 Å²	30.1	13%	0.129	15%	0.153	C	C	.	.	H	α-helix	trans	-120.4	-10.6	-171.4	58.8	0	0	0	0	113.8	D62 W68 F551 I554	D62-T66 PolarHBondContact O-N 3.1Å; D62-T66 PolarHBondContact O-OG1 3.49Å; D62-T66 VanDerWaalsContact O-OG1 3.08Å; D62-T66 WeakPolarHBondContact OD2-CG2 3.45Å; D62-T66 PolarHBondContact OD2-OG1 3.39Å; T66-W68 VanDerWaalsContact C-N 3.26Å; T66-W68 VanDerWaalsContact O-CD1 3.32Å; T66-W68 PolarHBondContact OG1-O 2.85Å; T66-F551 VanDerWaalsContact C-CD1 3.42Å; T66-I554 HydrophobicContact CG2-CG2 3.71Å
67	G	97.9	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	76.1	11.1	-173.8	0	0	0	0	0	114	I63 S520	I63-G67 WeakPolarHBondContact O-CA 3.37Å; I63-G67 PolarHBondContact O-N 3.45Å; G67-S520 VanDerWaalsContact O-CB 3.3Å; G67-S520 WeakPolarHBondContact O-CB 2.98Å; G67-S520 PolarHBondContact O-OG 2.62Å
68	W	98.4	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.2	178.8	-61.5	99.7	0	0	0	111.2	D62 I63 T66 F70 R242 M244 D502 A518 I554	D62-W68 CarbonylContact C-O 3.56Å; D62-W68 WeakPolarHBondContact CA-O 3.44Å; D62-W68 PolarHBondContact N-O 3.11Å; I63-W68 PolarHBondContact N-O 3.5Å; T66-W68 VanDerWaalsContact C-N 3.26Å; T66-W68 VanDerWaalsContact O-CD1 3.32Å; T66-W68 PolarHBondContact OG1-O 2.85Å; W68-F70 HydrophobicContact CB-CE1 4.43Å; W68-F70 HydrophobicContact CB-CE2 4.31Å; W68-F70 HydrophobicContact CB-CZ 3.96Å; W68-R242 HydrophobicContact CD2-CB 4.09Å; W68-R242 HydrophobicContact CE3-CB 3.27Å; W68-R242 HydrophobicContact CE3-CG 4.18Å; W68-R242 HydrophobicContact CH2-CB 4.16Å; W68-R242 HydrophobicContact CH2-CG 4.27Å; W68-R242 HydrophobicContact CZ3-CB 3.34Å; W68-R242 HydrophobicContact CZ3-CG 3.93Å; W68-M244 HydrophobicContact CD2-CE 3.81Å; W68-M244 HydrophobicContact CD2-CG 4.13Å; W68-M244 HydrophobicContact CE3-CE 3.66Å; W68-M244 HydrophobicContact CE3-CG 3.75Å; W68-M244 HydrophobicContact CE3-SD 4.01Å; W68-M244 HydrophobicContact CG-CG 4.5Å; W68-M244 HydrophobicContact CH2-CE 3.61Å; W68-M244 HydrophobicContact CZ2-CE 3.72Å; W68-M244 HydrophobicContact CZ3-CE 3.53Å; W68-M244 HydrophobicContact CZ3-CG 4.32Å; W68-M244 HydrophobicContact CZ3-SD 3.96Å; W68-D502 HydrophobicContact CH2-CB 3.87Å; W68-D502 HydrophobicContact CZ2-CB 3.88Å; W68-A518 HydrophobicContact CZ2-CB 4.21Å; W68-I554 HydrophobicContact CG-CD1 4.28Å
69	S	98.3	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	164.9	154.3	-40.1	0	0	0	0	109.9	F59 T60 D61 I63 L99 R242 I243 M244	F59-S69 VanDerWaalsContact CE2-CB 3.47Å; T60-S69 CarbonylContact O-C 3.57Å; T60-S69 VanDerWaalsContact O-CA 3.29Å; T60-S69 WeakPolarHBondContact O-CA 3.23Å; T60-S69 WeakPolarHBondContact O-CB 3.49Å; D61-S69 PolarHBondContact OD1-OG 2.92Å; I63-S69 VanDerWaalsContact CD1-OG 3.23Å; I63-S69 WeakPolarHBondContact CD1-OG 3.44Å; I63-S69 VanDerWaalsContact CG1-OG 3.3Å; I63-S69 WeakPolarHBondContact CG1-OG 3.4Å; S69-L99 WeakPolarHBondContact OG-CD1 3.41Å; S69-R242 PolarHBondContact N-O 3.39Å; S69-I243 CarbonylContact O-C 3.4Å; S69-I243 WeakPolarHBondContact O-CA 3.37Å; S69-M244 PolarHBondContact O-N 3.12Å
70	F	98.4	Very high	97.3	Very high	41 Å²	41	45.4 Å²	45.4	18%	0.18	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.4	-179.3	-54.7	-89.1	0	0	0	109.8	F59 T60 D62 W68 M244 I554 V556	F59-F70 WeakPolarHBondContact CA-O 3.47Å; F59-F70 VanDerWaalsContact CD2-O 3.22Å; F59-F70 WeakPolarHBondContact CD2-O 3.49Å; T60-F70 PolarHBondContact N-O 3.42Å; T60-F70 PolarHBondContact O-N 3.26Å; D62-F70 HydrophobicContact CB-CE2 4.25Å; W68-F70 HydrophobicContact CB-CE1 4.43Å; W68-F70 HydrophobicContact CB-CE2 4.31Å; W68-F70 HydrophobicContact CB-CZ 3.96Å; F70-M244 WeakPolarHBondContact CA-O 3.29Å; F70-M244 HydrophobicContact CD1-CB 3.83Å; F70-M244 HydrophobicContact CD1-CG 4.34Å; F70-M244 HydrophobicContact CE1-CB 4.19Å; F70-M244 HydrophobicContact CE1-CG 4.2Å; F70-I554 HydrophobicContact CE1-CD1 4.1Å; F70-I554 HydrophobicContact CZ-CD1 3.6Å; F70-V556 HydrophobicContact CD1-CG1 4.17Å; F70-V556 HydrophobicContact CE1-CG1 4.01Å; F70-V556 HydrophobicContact CE1-CG2 4.14Å
71	L	98.6	Very high	97.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125	-179.5	175.3	68.2	0	0	0	110	A57 N58 F59 V73 E92 V95 T96 I243 M244 K245 K246	A57-L71 HydrophobicContact CB-CD1 4.1Å; N58-L71 CarbonylContact O-C 3.6Å; N58-L71 WeakPolarHBondContact O-CA 3.47Å; F59-L71 HydrophobicContact CB-CD1 4.2Å; F59-L71 HydrophobicContact CD2-CB 4.21Å; F59-L71 HydrophobicContact CD2-CD1 4.27Å; L71-V73 HydrophobicContact CD1-CG2 4.02Å; L71-V73 HydrophobicContact CD2-CG2 4.07Å; L71-V73 HydrophobicContact CG-CG2 3.95Å; L71-E92 HydrophobicContact CD2-CB 4.27Å; L71-E92 HydrophobicContact CD2-CG 3.6Å; L71-V95 HydrophobicContact CD1-CG2 3.71Å; L71-T96 HydrophobicContact CD1-CG2 4.49Å; L71-T96 HydrophobicContact CD2-CG2 4.4Å; L71-I243 HydrophobicContact CB-CG2 3.66Å; L71-M244 PolarHBondContact N-O 3.35Å; L71-K245 HydrophobicContact CB-CG 4.28Å; L71-K245 HydrophobicContact CD2-CD 4.13Å; L71-K245 HydrophobicContact CD2-CG 4.18Å; L71-K245 CarbonylContact O-C 3.51Å; L71-K245 WeakPolarHBondContact O-CA 3.38Å; L71-K246 PolarHBondContact O-N 3.21Å
72	E	98.4	Very high	97.3	Very high	18 Å²	18	42.3 Å²	42.3	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.1	165.3	-58	-165.8	-114.6	0	0	109.3	A57 N58 K246 W558 T559	A57-E72 CarbonylContact C-O 3.6Å; A57-E72 WeakPolarHBondContact CA-O 3.32Å; N58-E72 HydrophobicContact CB-CB 4.31Å; N58-E72 PolarHBondContact N-O 2.81Å; N58-E72 PolarHBondContact O-N 2.64Å; E72-K246 CarbonylContact C-O 3.49Å; E72-K246 VanDerWaalsContact CA-O 3.28Å; E72-K246 WeakPolarHBondContact CA-O 3.3Å; E72-K246 HydrophobicContact CG-CB 4.26Å; E72-K246 IonicContact OE2-NZ 3.53Å; E72-K246 PolarHBondContact OE2-NZ 2.8Å; E72-W558 HydrophobicContact CG-CE3 3.67Å; E72-W558 HydrophobicContact CG-CZ3 3.98Å; E72-T559 PolarHBondContact OE1-OG1 3.34Å
73	V	98.7	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.9	173.1	-179.3	0	0	0	0	109	W56 A57 L71 A88 V91 E92 K246 Y247 I248 F249	W56-V73 WeakPolarHBondContact O-CA 3.47Å; A57-V73 HydrophobicContact CB-CG2 4.17Å; L71-V73 HydrophobicContact CD1-CG2 4.02Å; L71-V73 HydrophobicContact CD2-CG2 4.07Å; L71-V73 HydrophobicContact CG-CG2 3.95Å; V73-A88 HydrophobicContact CG1-CB 3.96Å; V73-V91 HydrophobicContact CG1-CG2 3.74Å; V73-E92 HydrophobicContact CG2-CB 4.33Å; V73-K246 PolarHBondContact N-O 2.8Å; V73-Y247 HydrophobicContact CB-CD1 3.75Å; V73-Y247 HydrophobicContact CB-CE1 4.06Å; V73-Y247 HydrophobicContact CG2-CD1 4.04Å; V73-Y247 HydrophobicContact CG2-CE1 3.85Å; V73-Y247 CarbonylContact O-C 3.59Å; V73-Y247 WeakPolarHBondContact O-CA 3.49Å; V73-I248 PolarHBondContact O-N 3.15Å; V73-F249 HydrophobicContact CG1-CE1 4.39Å
74	T	98.7	Very high	97.4	Very high	21 Å²	21	41.2 Å²	41.2	13%	0.129	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.4	-179.3	-58.2	0	0	0	0	110.6	F53 A55 W56 I248	F53-T74 HydrophobicContact CE2-CG2 4.2Å; F53-T74 HydrophobicContact CZ-CG2 4.47Å; A55-T74 CarbonylContact C-O 3.49Å; A55-T74 WeakPolarHBondContact CA-O 3.45Å; W56-T74 PolarHBondContact N-O 2.89Å; W56-T74 PolarHBondContact O-N 2.85Å; T74-I248 WeakPolarHBondContact CA-O 3.17Å; T74-I248 HydrophobicContact CG2-CB 4.22Å; T74-I248 HydrophobicContact CG2-CG2 4.26Å
75	T	98.7	Very high	97.5	Very high	8 Å²	8	32 Å²	32	5%	0.049	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	158.6	173.8	70.5	0	0	0	0	112.5	V54 A55 Q84 A88 I248 F249 A250 F251	V54-T75 WeakPolarHBondContact O-CA 3.48Å; A55-T75 HydrophobicContact CB-CG2 3.97Å; T75-Q84 HydrophobicContact CG2-CB 4.14Å; T75-Q84 PolarHBondContact OG1-OE1 3.2Å; T75-A88 HydrophobicContact CG2-CB 3.86Å; T75-I248 PolarHBondContact N-O 2.91Å; T75-F249 HydrophobicContact CG2-CD1 3.74Å; T75-F249 HydrophobicContact CG2-CE1 4.17Å; T75-F249 WeakPolarHBondContact OG1-CA 3.41Å; T75-A250 PolarHBondContact OG1-N 2.87Å; T75-F251 HydrophobicContact CG2-CE1 4.28Å
76	S	97.9	Very high	97.6	Very high	8 Å²	8	27.2 Å²	27.2	6%	0.056	14%	0.14	C	C	.	.			trans	-104.7	129.4	-175.9	157.3	0	0	0	0	112.2	F53 V54 R78 Y79 Q84	F53-S76 WeakPolarHBondContact O-CB 3.26Å; F53-S76 PolarHBondContact O-OG 3.22Å; V54-S76 PolarHBondContact O-N 3.28Å; S76-R78 PolarHBondContact O-N 3.27Å; S76-R78 VanDerWaalsContact O-N 3.08Å; S76-R78 WeakPolarHBondContact OG-CB 3.46Å; S76-R78 PolarHBondContact OG-N 2.82Å; S76-R78 PolarHBondContact OG-NE 3.21Å; S76-Y79 PolarHBondContact O-N 3.39Å; S76-Q84 WeakPolarHBondContact O-CG 3.42Å; S76-Q84 PolarHBondContact O-NE2 3.34Å
77	S	95.9	Very high	97.7	Very high	97 Å²	97	26.2 Å²	26.2	68%	0.678	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.1	175.6	57.5	0	0	0	0	114.5	Y79 A250	S77-Y79 PolarHBondContact O-N 2.87Å; S77-A250 VanDerWaalsContact N-CB 3.35Å
78	R	95.8	Very high	97.8	Very high	143 Å²	143	26.2 Å²	26.2	54%	0.54	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.3	176	-60.9	175.9	-66.8	-170.3	-0.7	113.3	E51 D52 F53 S76	E51-R78 PolarHBondContact O-NH1 2.76Å; E51-R78 PolarHBondContact O-NH2 3.1Å; D52-R78 VanDerWaalsContact C-NH2 3.33Å; F53-R78 PolarHBondContact O-NH2 3.03Å; S76-R78 PolarHBondContact O-N 3.27Å; S76-R78 VanDerWaalsContact O-N 3.08Å; S76-R78 WeakPolarHBondContact OG-CB 3.46Å; S76-R78 PolarHBondContact OG-N 2.82Å; S76-R78 PolarHBondContact OG-NE 3.21Å
79	Y	95.8	Very high	97.8	Very high	64 Å²	64	26.2 Å²	26.2	25%	0.251	13%	0.134	S	C	.	.	S	Bend	trans	-116	159.6	-177.2	-60.1	-86	0	0	0	110.8	I36 D52 F53 V54 S76 S77 I83 Q84	I36-Y79 HydrophobicContact CG1-CD1 4.38Å; I36-Y79 HydrophobicContact CG1-CE1 3.8Å; D52-Y79 PolarHBondContact O-OH 2.81Å; F53-Y79 VanDerWaalsContact O-CE2 3.28Å; F53-Y79 WeakPolarHBondContact O-CE2 3.37Å; V54-Y79 HydrophobicContact CB-CD2 4.15Å; V54-Y79 HydrophobicContact CB-CE2 4.3Å; V54-Y79 HydrophobicContact CB-CG 4.45Å; V54-Y79 HydrophobicContact CG1-CD2 4.2Å; V54-Y79 HydrophobicContact CG1-CG 4.16Å; V54-Y79 HydrophobicContact CG2-CD1 3.99Å; V54-Y79 HydrophobicContact CG2-CD2 3.93Å; V54-Y79 HydrophobicContact CG2-CE1 3.85Å; V54-Y79 HydrophobicContact CG2-CE2 3.81Å; V54-Y79 HydrophobicContact CG2-CG 4.04Å; S76-Y79 PolarHBondContact O-N 3.39Å; S77-Y79 PolarHBondContact O-N 2.87Å; Y79-I83 HydrophobicContact CG-CG2 4.46Å; Y79-Q84 PolarHBondContact O-NE2 3.46Å
80	N	94.3	Very high	97.8	Very high	95 Å²	95	26.2 Å²	26.2	51%	0.508	13%	0.134	S	C	.	.			trans	-67.2	152.5	174.2	68.4	71.5	0	0	0	111.3	S82 I83 Q84	N80-S82 VanDerWaalsContact C-N 3.27Å; N80-S82 PolarHBondContact O-N 2.81Å; N80-S82 WeakPolarHBondContact OD1-CB 3.33Å; N80-S82 PolarHBondContact OD1-N 2.92Å; N80-I83 WeakPolarHBondContact O-CG2 3.16Å; N80-I83 PolarHBondContact O-N 2.78Å; N80-I83 PolarHBondContact OD1-N 3.47Å; N80-Q84 WeakPolarHBondContact O-CG 3.39Å; N80-Q84 PolarHBondContact O-N 2.89Å; N80-Q84 VanDerWaalsContact O-N 3.12Å
81	D	97.1	Very high	97.8	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.053	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-36.4	-174.6	-60.7	-1.3	0	0	0	113.1	I83 Q84 A85 H150 L154 F251 K252	D81-I83 PolarHBondContact O-N 2.91Å; D81-Q84 WeakPolarHBondContact O-CB 3.43Å; D81-Q84 PolarHBondContact O-N 3.38Å; D81-Q84 PolarHBondContact OD1-NE2 3.28Å; D81-A85 WeakPolarHBondContact O-CB 3.35Å; D81-A85 PolarHBondContact O-N 2.93Å; D81-H150 IonicContact OD2-CE1 3.76Å; D81-H150 IonicContact OD2-NE2 2.76Å; D81-H150 PolarHBondContact OD2-NE2 3.46Å; D81-L154 HydrophobicContact CB-CD1 3.81Å; D81-L154 HydrophobicContact CB-CD2 3.72Å; D81-L154 HydrophobicContact CB-CG 4.4Å; D81-L154 WeakPolarHBondContact O-CD2 3.43Å; D81-F251 HydrophobicContact CB-CD1 4.3Å; D81-K252 WeakPolarHBondContact OD2-CB 3.45Å; D81-K252 PolarHBondContact OD2-N 3.32Å
82	S	97.1	Very high	97.8	Very high	26 Å²	26	24.3 Å²	24.3	18%	0.182	13%	0.125	C	C	.	.	H	α-helix	trans	-60.8	-47.7	-178.7	-62	0	0	0	0	112	N80 A85 Y86	N80-S82 VanDerWaalsContact C-N 3.27Å; N80-S82 PolarHBondContact O-N 2.81Å; N80-S82 WeakPolarHBondContact OD1-CB 3.33Å; N80-S82 PolarHBondContact OD1-N 2.92Å; S82-A85 PolarHBondContact O-N 3.25Å; S82-Y86 PolarHBondContact O-N 2.96Å; S82-Y86 VanDerWaalsContact O-N 3.09Å
83	I	97.7	Very high	97.9	Very high	19 Å²	19	23.4 Å²	23.4	10%	0.097	12%	0.121	C	C	.	.	H	α-helix	trans	-72.9	-31.8	177.6	-161.3	161.7	0	0	0	111.9	I36 V54 Y79 N80 D81 A87 F172	I36-I83 HydrophobicContact CD1-CD1 3.43Å; I36-I83 VanDerWaalsContact CD1-CD1 3.43Å; I36-I83 HydrophobicContact CD1-CG1 4.39Å; V54-I83 HydrophobicContact CG1-CG1 4.41Å; V54-I83 HydrophobicContact CG1-CG2 4.2Å; Y79-I83 HydrophobicContact CG-CG2 4.46Å; N80-I83 WeakPolarHBondContact O-CG2 3.16Å; N80-I83 PolarHBondContact O-N 2.78Å; N80-I83 PolarHBondContact OD1-N 3.47Å; D81-I83 PolarHBondContact O-N 2.91Å; I83-A87 WeakPolarHBondContact O-CB 3.27Å; I83-A87 PolarHBondContact O-N 2.9Å; I83-F172 HydrophobicContact CB-CD2 4.39Å; I83-F172 HydrophobicContact CB-CE1 4.47Å; I83-F172 HydrophobicContact CB-CE2 4.02Å; I83-F172 HydrophobicContact CB-CZ 4.06Å; I83-F172 HydrophobicContact CD1-CD1 4.35Å; I83-F172 HydrophobicContact CD1-CG 4.36Å; I83-F172 HydrophobicContact CG1-CD2 4.14Å; I83-F172 HydrophobicContact CG1-CE2 4.28Å; I83-F172 HydrophobicContact CG1-CG 4.31Å
84	Q	98.4	Very high	97.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-46	171.5	-67.9	-179.7	55.7	0	0	111.2	T75 S76 Y79 N80 D81 A87 A88 A250 F251	T75-Q84 HydrophobicContact CG2-CB 4.14Å; T75-Q84 PolarHBondContact OG1-OE1 3.2Å; S76-Q84 WeakPolarHBondContact O-CG 3.42Å; S76-Q84 PolarHBondContact O-NE2 3.34Å; Y79-Q84 PolarHBondContact O-NE2 3.46Å; N80-Q84 WeakPolarHBondContact O-CG 3.39Å; N80-Q84 PolarHBondContact O-N 2.89Å; N80-Q84 VanDerWaalsContact O-N 3.12Å; D81-Q84 WeakPolarHBondContact O-CB 3.43Å; D81-Q84 PolarHBondContact O-N 3.38Å; D81-Q84 PolarHBondContact OD1-NE2 3.28Å; Q84-A87 PolarHBondContact O-N 3.18Å; Q84-A88 WeakPolarHBondContact O-CB 3.33Å; Q84-A88 PolarHBondContact O-N 2.83Å; Q84-A250 PolarHBondContact NE2-O 3.42Å; Q84-A250 PolarHBondContact OE1-O 3.4Å; Q84-F251 HydrophobicContact CB-CD1 4.05Å; Q84-F251 HydrophobicContact CB-CE1 3.6Å
85	A	98.7	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-44.8	-178.7	0	0	0	0	0	112.3	D81 S82 A88 G89 L154 L157 Q158 F251	D81-A85 WeakPolarHBondContact O-CB 3.35Å; D81-A85 PolarHBondContact O-N 2.93Å; S82-A85 PolarHBondContact O-N 3.25Å; A85-A88 PolarHBondContact O-N 2.97Å; A85-G89 PolarHBondContact O-N 2.86Å; A85-L154 HydrophobicContact CB-CB 3.96Å; A85-L154 HydrophobicContact CB-CD2 4.02Å; A85-L154 WeakPolarHBondContact CB-O 3.18Å; A85-L157 HydrophobicContact CB-CB 4.25Å; A85-Q158 VanDerWaalsContact O-CA 3.27Å; A85-Q158 WeakPolarHBondContact O-CA 3.5Å; A85-F251 HydrophobicContact CB-CE1 4.1Å; A85-F251 HydrophobicContact CB-CE2 4.47Å; A85-F251 HydrophobicContact CB-CZ 3.77Å
86	Y	98.8	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-45.9	173.3	-176.5	-98	0	0	0	111.6	L43 S82 A88 G89 A90 K160 G161 D164 L170 Y171 F172	L43-Y86 HydrophobicContact CD2-CD1 3.7Å; L43-Y86 HydrophobicContact CD2-CE1 3.91Å; S82-Y86 PolarHBondContact O-N 2.96Å; S82-Y86 VanDerWaalsContact O-N 3.09Å; Y86-A88 VanDerWaalsContact C-N 3.35Å; Y86-A88 PolarHBondContact O-N 3.44Å; Y86-G89 PolarHBondContact O-N 2.96Å; Y86-A90 PolarHBondContact O-N 3.21Å; Y86-K160 HydrophobicContact CD2-CB 4.32Å; Y86-K160 HydrophobicContact CD2-CG 4.29Å; Y86-K160 HydrophobicContact CE2-CB 4.35Å; Y86-K160 HydrophobicContact CE2-CG 3.96Å; Y86-G161 VanDerWaalsContact CD2-CA 3.41Å; Y86-G161 VanDerWaalsContact CD2-N 3.35Å; Y86-G161 WeakPolarHBondContact O-CA 3.48Å; Y86-D164 HydrophobicContact CE2-CB 4.43Å; Y86-D164 WeakPolarHBondContact CE2-OD2 3.38Å; Y86-D164 VanDerWaalsContact OH-CB 3.23Å; Y86-D164 WeakPolarHBondContact OH-CB 3.39Å; Y86-D164 PolarHBondContact OH-OD2 3.11Å; Y86-L170 HydrophobicContact CE1-CD2 3.82Å; Y86-Y171 PolarHBondContact OH-N 3.07Å; Y86-Y171 PolarHBondContact OH-O 3Å; Y86-F172 HydrophobicContact CD1-CB 4.23Å; Y86-F172 AromaticContact CD1-CD2 3.83Å; Y86-F172 HydrophobicContact CD1-CD2 3.83Å; Y86-F172 HydrophobicContact CD2-CD2 4.37Å; Y86-F172 HydrophobicContact CE1-CB 4.22Å; Y86-F172 AromaticContact CG-CD2 3.73Å; Y86-F172 HydrophobicContact CG-CD2 3.73Å; Y86-F172 HydrophobicContact CG-CE2 4.4Å
87	A	98.8	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-36.3	177.9	0	0	0	0	0	113	A34 L43 V54 A55 I83 Q84 G89 A90 V91	A34-A87 HydrophobicContact CB-CB 3.9Å; L43-A87 HydrophobicContact CD1-CB 4.07Å; L43-A87 HydrophobicContact CD2-CB 3.83Å; V54-A87 HydrophobicContact CB-CB 4.06Å; V54-A87 HydrophobicContact CG1-CB 3.59Å; A55-A87 HydrophobicContact CB-CB 3.71Å; I83-A87 WeakPolarHBondContact O-CB 3.27Å; I83-A87 PolarHBondContact O-N 2.9Å; Q84-A87 PolarHBondContact O-N 3.18Å; A87-G89 PolarHBondContact O-N 3.38Å; A87-A90 WeakPolarHBondContact O-CB 3.23Å; A87-A90 PolarHBondContact O-N 2.91Å; A87-A90 VanDerWaalsContact O-N 3.15Å; A87-V91 WeakPolarHBondContact O-CG2 3.13Å; A87-V91 PolarHBondContact O-N 3Å
88	A	98.9	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-44.1	176	0	0	0	0	0	111.9	V73 T75 Q84 A85 Y86 A90 V91 E92 F249	V73-A88 HydrophobicContact CG1-CB 3.96Å; T75-A88 HydrophobicContact CG2-CB 3.86Å; Q84-A88 WeakPolarHBondContact O-CB 3.33Å; Q84-A88 PolarHBondContact O-N 2.83Å; A85-A88 PolarHBondContact O-N 2.97Å; Y86-A88 VanDerWaalsContact C-N 3.35Å; Y86-A88 PolarHBondContact O-N 3.44Å; A88-A90 VanDerWaalsContact C-N 3.33Å; A88-V91 WeakPolarHBondContact O-CG2 3.4Å; A88-E92 PolarHBondContact O-N 2.69Å; A88-F249 HydrophobicContact CB-CE1 3.79Å; A88-F249 HydrophobicContact CB-CZ 4.37Å
89	G	98.8	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-41.2	172.6	0	0	0	0	0	112.2	A85 Y86 A87 E92 A93 Q158 L162	A85-G89 PolarHBondContact O-N 2.86Å; Y86-G89 PolarHBondContact O-N 2.96Å; A87-G89 PolarHBondContact O-N 3.38Å; G89-E92 PolarHBondContact O-N 2.84Å; G89-A93 PolarHBondContact O-N 2.88Å; G89-Q158 WeakPolarHBondContact CA-O 3.32Å; G89-L162 WeakPolarHBondContact O-CA 3.49Å; G89-L162 WeakPolarHBondContact O-CD1 3.49Å
90	A	98.8	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-49.7	-179.1	0	0	0	0	0	112.9	L43 I45 Y86 A87 A88 E92 A93 S94 G161 S165 L170	L43-A90 HydrophobicContact CD2-CB 4.5Å; I45-A90 HydrophobicContact CD1-CB 4.08Å; Y86-A90 PolarHBondContact O-N 3.21Å; A87-A90 WeakPolarHBondContact O-CB 3.23Å; A87-A90 PolarHBondContact O-N 2.91Å; A87-A90 VanDerWaalsContact O-N 3.15Å; A88-A90 VanDerWaalsContact C-N 3.33Å; A90-E92 VanDerWaalsContact C-N 3.29Å; A90-E92 PolarHBondContact O-N 3.38Å; A90-A93 PolarHBondContact O-N 3.08Å; A90-S94 PolarHBondContact O-N 3.2Å; A90-G161 WeakPolarHBondContact CA-O 3.49Å; A90-S165 WeakPolarHBondContact O-CB 3.44Å; A90-S165 PolarHBondContact O-OG 2.84Å; A90-S165 VanDerWaalsContact O-OG 3.09Å; A90-L170 HydrophobicContact CB-CD1 4.35Å; A90-L170 HydrophobicContact CB-CD2 3.71Å
91	V	98.8	Very high	98.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-29.5	179.2	-62.5	0	0	0	0	113	A34 I45 A55 A57 V73 A87 A88 S94 V95	A34-V91 HydrophobicContact CB-CG1 3.5Å; A34-V91 VanDerWaalsContact CB-CG1 3.5Å; I45-V91 HydrophobicContact CD1-CG1 3.95Å; A55-V91 HydrophobicContact CB-CG1 4.29Å; A55-V91 HydrophobicContact CB-CG2 4.02Å; A57-V91 HydrophobicContact CB-CB 3.84Å; A57-V91 HydrophobicContact CB-CG2 3.87Å; A57-V91 WeakPolarHBondContact CB-O 3.5Å; V73-V91 HydrophobicContact CG1-CG2 3.74Å; A87-V91 WeakPolarHBondContact O-CG2 3.13Å; A87-V91 PolarHBondContact O-N 3Å; A88-V91 WeakPolarHBondContact O-CG2 3.4Å; V91-S94 WeakPolarHBondContact CA-OG 3.5Å; V91-S94 PolarHBondContact O-OG 3.11Å; V91-V95 WeakPolarHBondContact O-CG2 3.39Å; V91-V95 PolarHBondContact O-N 2.89Å
92	E	98.8	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.2	-48.1	172.7	172.8	164.3	160.4	0	0	111.2	L71 V73 A88 G89 A90 S94 V95 T96 L162 K245 Y247	L71-E92 HydrophobicContact CD2-CB 4.27Å; L71-E92 HydrophobicContact CD2-CG 3.6Å; V73-E92 HydrophobicContact CG2-CB 4.33Å; A88-E92 PolarHBondContact O-N 2.69Å; G89-E92 PolarHBondContact O-N 2.84Å; A90-E92 VanDerWaalsContact C-N 3.29Å; A90-E92 PolarHBondContact O-N 3.38Å; E92-S94 VanDerWaalsContact C-N 3.31Å; E92-S94 PolarHBondContact O-N 3.08Å; E92-V95 WeakPolarHBondContact O-CG2 3.35Å; E92-V95 PolarHBondContact O-N 2.95Å; E92-T96 WeakPolarHBondContact O-CB 3.21Å; E92-T96 WeakPolarHBondContact O-CG2 3.36Å; E92-T96 PolarHBondContact O-N 3.12Å; E92-T96 PolarHBondContact O-OG1 2.83Å; E92-L162 HydrophobicContact CB-CD1 4.14Å; E92-L162 HydrophobicContact CG-CD1 3.88Å; E92-K245 IonicContact OE1-NZ 2.67Å; E92-K245 PolarHBondContact OE1-NZ 2.95Å; E92-Y247 PolarHBondContact OE1-OH 2.9Å; E92-Y247 VanDerWaalsContact OE2-CE1 3.32Å; E92-Y247 WeakPolarHBondContact OE2-CE1 3.38Å; E92-Y247 VanDerWaalsContact OE2-CZ 3.25Å; E92-Y247 PolarHBondContact OE2-OH 3.3Å
93	A	98.6	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-38.5	177.9	0	0	0	0	0	111.7	G89 A90 V95 T96 S97 M100 L162 F166	G89-A93 PolarHBondContact O-N 2.88Å; A90-A93 PolarHBondContact O-N 3.08Å; A93-V95 VanDerWaalsContact C-N 3.33Å; A93-V95 PolarHBondContact O-N 3.26Å; A93-T96 PolarHBondContact O-N 3.49Å; A93-S97 WeakPolarHBondContact O-CA 3.44Å; A93-S97 VanDerWaalsContact O-CB 3.24Å; A93-S97 WeakPolarHBondContact O-CB 3.2Å; A93-S97 PolarHBondContact O-N 3.15Å; A93-M100 HydrophobicContact CB-SD 4.2Å; A93-L162 HydrophobicContact CB-CD1 3.76Å; A93-L162 HydrophobicContact CB-CG 4.15Å; A93-L162 VanDerWaalsContact CB-O 3.26Å; A93-L162 WeakPolarHBondContact CB-O 3.48Å; A93-F166 HydrophobicContact CB-CB 4.38Å
94	S	98.3	Very high	98.4	Very high	27 Å²	27	18.5 Å²	18.5	19%	0.189	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-42.1	-179.8	65	0	0	0	0	112.4	Q32 A90 V91 E92	Q32-S94 WeakPolarHBondContact CB-OG 3.31Å; A90-S94 PolarHBondContact O-N 3.2Å; V91-S94 WeakPolarHBondContact CA-OG 3.5Å; V91-S94 PolarHBondContact O-OG 3.11Å; E92-S94 VanDerWaalsContact C-N 3.31Å; E92-S94 PolarHBondContact O-N 3.08Å
95	V	98.4	Very high	98.3	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.036	11%	0.105	C	C	.	.	H	α-helix	trans	-87.9	-14.6	-179.6	-58.4	0	0	0	0	114.3	E30 Q32 A57 F59 L71 V91 E92 A93	E30-V95 HydrophobicContact CG-CG1 4.11Å; Q32-V95 HydrophobicContact CB-CG1 3.6Å; Q32-V95 HydrophobicContact CG-CG1 3.27Å; A57-V95 HydrophobicContact CB-CG1 4.21Å; A57-V95 HydrophobicContact CB-CG2 3.93Å; F59-V95 HydrophobicContact CB-CB 3.68Å; F59-V95 HydrophobicContact CB-CG1 4.37Å; F59-V95 HydrophobicContact CB-CG2 3.58Å; F59-V95 HydrophobicContact CD1-CB 4.36Å; F59-V95 VanDerWaalsContact CD1-O 3.24Å; F59-V95 WeakPolarHBondContact CD1-O 3.44Å; F59-V95 HydrophobicContact CG-CB 4.18Å; F59-V95 HydrophobicContact CG-CG2 4.07Å; L71-V95 HydrophobicContact CD1-CG2 3.71Å; V91-V95 WeakPolarHBondContact O-CG2 3.39Å; V91-V95 PolarHBondContact O-N 2.89Å; E92-V95 WeakPolarHBondContact O-CG2 3.35Å; E92-V95 PolarHBondContact O-N 2.95Å; A93-V95 VanDerWaalsContact C-N 3.33Å; A93-V95 PolarHBondContact O-N 3.26Å
96	T	98.4	Very high	98.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-119	4.1	-176	67.1	0	0	0	0	114.9	F59 L71 E92 A93 E98 L99 M100 I243	F59-T96 HydrophobicContact CD2-CG2 3.85Å; F59-T96 HydrophobicContact CE2-CG2 3.88Å; F59-T96 HydrophobicContact CG-CG2 4.32Å; F59-T96 HydrophobicContact CZ-CG2 4.38Å; L71-T96 HydrophobicContact CD1-CG2 4.49Å; L71-T96 HydrophobicContact CD2-CG2 4.4Å; E92-T96 WeakPolarHBondContact O-CB 3.21Å; E92-T96 WeakPolarHBondContact O-CG2 3.36Å; E92-T96 PolarHBondContact O-N 3.12Å; E92-T96 PolarHBondContact O-OG1 2.83Å; A93-T96 PolarHBondContact O-N 3.49Å; T96-E98 VanDerWaalsContact C-N 3.29Å; T96-E98 PolarHBondContact O-N 3.32Å; T96-E98 VanDerWaalsContact O-N 3.16Å; T96-L99 PolarHBondContact O-N 3.02Å; T96-M100 WeakPolarHBondContact O-CG 3.46Å; T96-M100 PolarHBondContact O-N 2.97Å; T96-M100 PolarHBondContact OG1-SD 3.23Å; T96-I243 HydrophobicContact CG2-CD1 4.03Å
97	S	97.6	Very high	98	Very high	48 Å²	48	22.1 Å²	22.1	34%	0.336	12%	0.12	S	C	.	.	H	α-helix	trans	-51.8	-40.2	-175.4	58.2	0	0	0	0	114.2	A93 M100 S101 F166	A93-S97 WeakPolarHBondContact O-CA 3.44Å; A93-S97 VanDerWaalsContact O-CB 3.24Å; A93-S97 WeakPolarHBondContact O-CB 3.2Å; A93-S97 PolarHBondContact O-N 3.15Å; S97-M100 PolarHBondContact O-N 3.11Å; S97-S101 WeakPolarHBondContact O-CB 3.46Å; S97-S101 PolarHBondContact O-N 3.32Å; S97-S101 PolarHBondContact O-OG 2.91Å; S97-F166 WeakPolarHBondContact O-CE2 3.42Å
98	E	97.4	Very high	97.8	Very high	128 Å²	128	22.9 Å²	22.9	60%	0.598	12%	0.124	S	C	*	.	H	α-helix	trans	-65.4	-45.4	177.6	-168.8	-174.1	159.9	0	0	111.5	T96 S101 K102	T96-E98 VanDerWaalsContact C-N 3.29Å; T96-E98 PolarHBondContact O-N 3.32Å; T96-E98 VanDerWaalsContact O-N 3.16Å; E98-S101 PolarHBondContact O-N 3.05Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 2.84Å; E98-K102 VanDerWaalsContact O-N 3.1Å; E98-K102 WeakPolarHBondContact OE1-CE 3.15Å; E98-K102 IonicContact OE1-NZ 2.75Å; E98-K102 PolarHBondContact OE1-NZ 3.23Å
99	L	98.1	Very high	97.3	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-37.8	176.3	-72.4	-174	0	0	0	112	F59 I63 S69 T96 S101 K102 H103 L241 I243 P272	F59-L99 HydrophobicContact CE1-CD1 4.49Å; F59-L99 HydrophobicContact CE2-CD1 4.25Å; F59-L99 HydrophobicContact CZ-CD1 3.56Å; I63-L99 HydrophobicContact CD1-CD1 4.14Å; I63-L99 HydrophobicContact CD1-CD2 4.04Å; S69-L99 WeakPolarHBondContact OG-CD1 3.41Å; T96-L99 PolarHBondContact O-N 3.02Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 2.9Å; L99-K102 HydrophobicContact CD2-CD 4.4Å; L99-K102 PolarHBondContact O-N 2.93Å; L99-H103 VanDerWaalsContact O-CB 3.28Å; L99-H103 WeakPolarHBondContact O-CB 3.22Å; L99-H103 PolarHBondContact O-N 2.76Å; L99-L241 HydrophobicContact CD2-CD2 4.33Å; L99-I243 HydrophobicContact CD1-CD1 4.14Å; L99-I243 HydrophobicContact CD1-CG1 4.43Å; L99-P272 HydrophobicContact CB-CB 3.88Å; L99-P272 HydrophobicContact CB-CG 3.78Å
100	M	98.6	Very high	96.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-44.3	174.2	-70.1	173.7	63.6	0	0	111.2	A93 T96 S97 H103 W104 L162 F166 F184 F187 P272	A93-M100 HydrophobicContact CB-SD 4.2Å; T96-M100 WeakPolarHBondContact O-CG 3.46Å; T96-M100 PolarHBondContact O-N 2.97Å; T96-M100 PolarHBondContact OG1-SD 3.23Å; S97-M100 PolarHBondContact O-N 3.11Å; M100-H103 PolarHBondContact O-N 3.35Å; M100-W104 WeakPolarHBondContact O-CB 3.49Å; M100-W104 PolarHBondContact O-N 3.39Å; M100-L162 HydrophobicContact CE-CD1 4.09Å; M100-L162 HydrophobicContact CE-CD2 3.96Å; M100-L162 HydrophobicContact CE-CG 3.86Å; M100-L162 HydrophobicContact SD-CD1 4.18Å; M100-F166 HydrophobicContact CB-CD2 4.37Å; M100-F166 HydrophobicContact CB-CE2 4.02Å; M100-F166 HydrophobicContact CE-CD2 3.93Å; M100-F166 HydrophobicContact SD-CD2 4.24Å; M100-F184 HydrophobicContact CE-CD2 3.83Å; M100-F184 HydrophobicContact CE-CE2 3.22Å; M100-F184 HydrophobicContact CE-CZ 3.63Å; M100-F187 HydrophobicContact CE-CE2 4.28Å; M100-P272 HydrophobicContact CG-CB 4.09Å
101	S	98.3	Very high	96.1	Very high	51 Å²	51	32 Å²	32	36%	0.357	18%	0.184	S	C	.	.	H	α-helix	trans	-61.8	-47.9	177.8	-60.5	0	0	0	0	111.6	S97 E98 L99 W104 V105 F166	S97-S101 WeakPolarHBondContact O-CB 3.46Å; S97-S101 PolarHBondContact O-N 3.32Å; S97-S101 PolarHBondContact O-OG 2.91Å; E98-S101 PolarHBondContact O-N 3.05Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 2.9Å; S101-W104 PolarHBondContact O-N 3.11Å; S101-V105 WeakPolarHBondContact O-CG2 3.3Å; S101-V105 PolarHBondContact O-N 3.21Å; S101-V105 VanDerWaalsContact O-N 3.09Å; S101-F166 WeakPolarHBondContact OG-CE2 3.34Å; S101-F166 VanDerWaalsContact OG-CZ 3.32Å; S101-F166 WeakPolarHBondContact OG-CZ 3.33Å
102	K	98.4	Very high	95.6	Very high	41 Å²	41	33 Å²	33	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-44.4	177	-68	168.6	-177.3	165.2	0	111.4	E98 L99 V105 N106 L241 M543	E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 2.84Å; E98-K102 VanDerWaalsContact O-N 3.1Å; E98-K102 WeakPolarHBondContact OE1-CE 3.15Å; E98-K102 IonicContact OE1-NZ 2.75Å; E98-K102 PolarHBondContact OE1-NZ 3.23Å; L99-K102 HydrophobicContact CD2-CD 4.4Å; L99-K102 PolarHBondContact O-N 2.93Å; K102-V105 PolarHBondContact O-N 3.33Å; K102-N106 PolarHBondContact O-N 2.79Å; K102-N106 PolarHBondContact O-ND2 3.03Å; K102-N106 PolarHBondContact O-OD1 2.78Å; K102-L241 HydrophobicContact CB-CD1 3.66Å; K102-M543 HydrophobicContact CB-CB 4.01Å; K102-M543 HydrophobicContact CG-CB 4.02Å
103	H	98.3	Very high	94.5	Very high	9 Å²	9	34 Å²	34	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-44.2	179.5	-167.9	61.6	0	0	0	111.4	L99 M100 V105 N106 T107 F187 L241 Y271 P272	L99-H103 VanDerWaalsContact O-CB 3.28Å; L99-H103 WeakPolarHBondContact O-CB 3.22Å; L99-H103 PolarHBondContact O-N 2.76Å; M100-H103 PolarHBondContact O-N 3.35Å; H103-V105 VanDerWaalsContact C-N 3.3Å; H103-V105 PolarHBondContact O-N 3.38Å; H103-N106 PolarHBondContact O-N 3.05Å; H103-N106 VanDerWaalsContact O-N 3.13Å; H103-T107 PolarHBondContact O-N 3.28Å; H103-T107 PolarHBondContact O-OG1 2.92Å; H103-F187 AromaticContact CD2-CD1 3.99Å; H103-F187 AromaticContact CD2-CE1 3.72Å; H103-L241 HydrophobicContact CB-CD1 3.97Å; H103-Y271 AromaticContact CE1-CD1 3.76Å; H103-P272 HydrophobicContact CB-CB 3.92Å; H103-P272 HydrophobicContact CB-CG 3.98Å; H103-P272 PolarHBondContact CD2-O 3.47Å
104	W	97.3	Very high	92.8	Very high	65 Å²	65	40.7 Å²	40.7	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-43.5	174	-175.4	-87.5	0	0	0	112.2	M100 S101 N106 T107 L108 M109 F184 L186 F187	M100-W104 WeakPolarHBondContact O-CB 3.49Å; M100-W104 PolarHBondContact O-N 3.39Å; S101-W104 PolarHBondContact O-N 3.11Å; W104-N106 VanDerWaalsContact C-N 3.35Å; W104-T107 PolarHBondContact O-N 3.42Å; W104-L108 HydrophobicContact CD2-CB 3.85Å; W104-L108 HydrophobicContact CD2-CD1 4.38Å; W104-L108 HydrophobicContact CE3-CB 3.86Å; W104-L108 HydrophobicContact CE3-CD1 3.55Å; W104-L108 HydrophobicContact CE3-CG 4.36Å; W104-L108 HydrophobicContact CG-CB 4.38Å; W104-L108 HydrophobicContact CH2-CB 4.39Å; W104-L108 HydrophobicContact CH2-CD1 4.42Å; W104-L108 HydrophobicContact CZ2-CB 4.35Å; W104-L108 HydrophobicContact CZ3-CB 4.14Å; W104-L108 HydrophobicContact CZ3-CD1 3.59Å; W104-L108 CarbonylContact O-C 3.6Å; W104-L108 PolarHBondContact O-N 2.85Å; W104-M109 PolarHBondContact O-N 2.64Å; W104-F184 HydrophobicContact CZ3-CD1 4.3Å; W104-L186 HydrophobicContact CH2-CB 4.4Å; W104-L186 HydrophobicContact CH2-CD1 4.04Å; W104-L186 HydrophobicContact CZ3-CB 4.3Å; W104-F187 HydrophobicContact CB-CE1 4.21Å; W104-F187 HydrophobicContact CB-CZ 3.89Å; W104-F187 HydrophobicContact CD2-CZ 4.34Å; W104-F187 HydrophobicContact CE3-CD1 4.41Å; W104-F187 HydrophobicContact CE3-CD2 4.27Å; W104-F187 AromaticContact CE3-CE1 3.87Å; W104-F187 HydrophobicContact CE3-CE1 3.87Å; W104-F187 AromaticContact CE3-CE2 3.74Å; W104-F187 HydrophobicContact CE3-CE2 3.74Å; W104-F187 AromaticContact CE3-CZ 3.54Å; W104-F187 HydrophobicContact CE3-CZ 3.54Å; W104-F187 HydrophobicContact CZ3-CD2 4.42Å; W104-F187 HydrophobicContact CZ3-CE2 4.26Å; W104-F187 HydrophobicContact CZ3-CZ 4.45Å
105	V	96.6	Very high	91.1	Very high	25 Å²	25	47.2 Å²	47.2	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-45.8	176.3	178.4	0	0	0	0	111.1	S101 K102 H103 T107 M109 Y541 M543	S101-V105 WeakPolarHBondContact O-CG2 3.3Å; S101-V105 PolarHBondContact O-N 3.21Å; S101-V105 VanDerWaalsContact O-N 3.09Å; K102-V105 PolarHBondContact O-N 3.33Å; H103-V105 VanDerWaalsContact C-N 3.3Å; H103-V105 PolarHBondContact O-N 3.38Å; V105-T107 PolarHBondContact O-N 2.96Å; V105-M109 HydrophobicContact CB-CE 3.82Å; V105-M109 HydrophobicContact CG1-CE 3.66Å; V105-M109 HydrophobicContact CG1-SD 4.2Å; V105-M109 HydrophobicContact CG2-CE 3.36Å; V105-Y541 HydrophobicContact CG1-CD1 4.19Å; V105-Y541 HydrophobicContact CG1-CG 4.11Å; V105-M543 HydrophobicContact CB-SD 4.06Å; V105-M543 HydrophobicContact CG1-CG 4.39Å; V105-M543 HydrophobicContact CG1-SD 3.75Å; V105-M543 HydrophobicContact CG2-SD 4.11Å
106	N	96.8	Very high	89.5	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-34.8	-176.3	-61.4	-11.7	0	0	0	112.5	K102 H103 W104 Q238 H542 M543	K102-N106 PolarHBondContact O-N 2.79Å; K102-N106 PolarHBondContact O-ND2 3.03Å; K102-N106 PolarHBondContact O-OD1 2.78Å; H103-N106 PolarHBondContact O-N 3.05Å; H103-N106 VanDerWaalsContact O-N 3.13Å; W104-N106 VanDerWaalsContact C-N 3.35Å; N106-Q238 HydrophobicContact CB-CB 4.39Å; N106-Q238 WeakPolarHBondContact CB-O 3.34Å; N106-H542 WeakPolarHBondContact OD1-CA 3.44Å; N106-H542 PolarHBondContact OD1-N 3.31Å; N106-M543 PolarHBondContact ND2-N 3.11Å; N106-M543 PolarHBondContact ND2-O 3.47Å; N106-M543 PolarHBondContact OD1-N 3.41Å
107	T	95.1	Very high	87.7	Confident	47 Å²	47	55.3 Å²	55.3	29%	0.288	33%	0.328	S	S	.	.	H	α-helix	trans	-115.2	-40.9	-167.7	61.4	0	0	0	0	115.2	H103 W104 V105 A239	H103-T107 PolarHBondContact O-N 3.28Å; H103-T107 PolarHBondContact O-OG1 2.92Å; W104-T107 PolarHBondContact O-N 3.42Å; V105-T107 PolarHBondContact O-N 2.96Å; T107-A239 HydrophobicContact CG2-CB 4.2Å
108	L	93.3	Very high	86.4	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.089	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-16.9	-164.4	-68.3	174.4	0	0	0	114.8	W104 G110 Y111 L186 F187	W104-L108 HydrophobicContact CD2-CB 3.85Å; W104-L108 HydrophobicContact CD2-CD1 4.38Å; W104-L108 HydrophobicContact CE3-CB 3.86Å; W104-L108 HydrophobicContact CE3-CD1 3.55Å; W104-L108 HydrophobicContact CE3-CG 4.36Å; W104-L108 HydrophobicContact CG-CB 4.38Å; W104-L108 HydrophobicContact CH2-CB 4.39Å; W104-L108 HydrophobicContact CH2-CD1 4.42Å; W104-L108 HydrophobicContact CZ2-CB 4.35Å; W104-L108 HydrophobicContact CZ3-CB 4.14Å; W104-L108 HydrophobicContact CZ3-CD1 3.59Å; W104-L108 CarbonylContact O-C 3.6Å; W104-L108 PolarHBondContact O-N 2.85Å; L108-G110 PolarHBondContact O-N 2.83Å; L108-G110 VanDerWaalsContact O-N 3.15Å; L108-Y111 WeakPolarHBondContact O-CB 3.44Å; L108-Y111 PolarHBondContact O-N 2.74Å; L108-L186 HydrophobicContact CD1-CB 3.83Å; L108-L186 HydrophobicContact CD2-CB 4.11Å; L108-F187 HydrophobicContact CD1-CD1 3.56Å; L108-F187 HydrophobicContact CD1-CE1 3.93Å; L108-F187 HydrophobicContact CD1-CG 4.09Å
109	M	88.5	Confident	85.5	Confident	93 Å²	93	52.4 Å²	52.4	46%	0.458	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.4	-177.7	177.5	-175.3	-72.8	0	0	112.9	W104 V105 Y111	W104-M109 PolarHBondContact O-N 2.64Å; V105-M109 HydrophobicContact CB-CE 3.82Å; V105-M109 HydrophobicContact CG1-CE 3.66Å; V105-M109 HydrophobicContact CG1-SD 4.2Å; V105-M109 HydrophobicContact CG2-CE 3.36Å; M109-Y111 VanDerWaalsContact C-N 3.34Å
110	G	84.8	Confident	85.1	Confident	66 Å²	66	54.7 Å²	54.7	68%	0.68	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-2	176.9	0	0	0	0	0	114.8	L108 I116	L108-G110 PolarHBondContact O-N 2.83Å; L108-G110 VanDerWaalsContact O-N 3.15Å; G110-I116 WeakPolarHBondContact O-CD1 3.37Å
111	Y	88.8	Confident	84.8	Confident	31 Å²	31	54.9 Å²	54.9	12%	0.122	34%	0.339	C	S	.	.	S	Bend	trans	-95.9	107.7	-173.7	-159.7	-88.4	0	0	0	111.1	L108 M109 G113 Y121 L125 L193 E197	L108-Y111 WeakPolarHBondContact O-CB 3.44Å; L108-Y111 PolarHBondContact O-N 2.74Å; M109-Y111 VanDerWaalsContact C-N 3.34Å; Y111-G113 PolarHBondContact O-N 3.31Å; Y111-G113 VanDerWaalsContact O-N 3.13Å; Y111-Y121 HydrophobicContact CE1-CE1 4.48Å; Y111-Y121 PolarHBondContact OH-OH 2.62Å; Y111-L125 HydrophobicContact CE1-CD2 3.73Å; Y111-L193 HydrophobicContact CE1-CD1 3.91Å; Y111-L193 HydrophobicContact CE1-CD2 4.1Å; Y111-E197 WeakPolarHBondContact CE2-OE1 3.15Å; Y111-E197 WeakPolarHBondContact OH-CG 3.41Å; Y111-E197 PolarHBondContact OH-OE1 2.88Å
112	C	86.7	Confident	84.6	Confident	22 Å²	22	53.1 Å²	53.1	15%	0.149	33%	0.326	C	S	.	.	S	Bend	trans	53.8	28.9	-176.6	-70.2	0	0	0	0	115.4	I116 C122 L182	C112-I116 VanDerWaalsContact N-CD1 3.34Å; C112-C122 WeakPolarHBondContact CA-SG 3.31Å; C112-C122 HydrophobicContact CB-CB 3.63Å; C112-C122 WeakPolarHBondContact CB-SG 3.36Å; C112-C122 WeakPolarHBondContact SG-CA 3.42Å; C112-C122 WeakPolarHBondContact SG-CB 3.11Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 2.79Å; C112-L182 HydrophobicContact CB-CD1 4.16Å
113	G	75.6	Confident	84.4	Confident	21 Å²	21	56.3 Å²	56.3	22%	0.216	34%	0.342	C	S	.	.			trans	-69.1	173.1	169.9	0	0	0	0	0	114.3	Y111 I115 I116	Y111-G113 PolarHBondContact O-N 3.31Å; Y111-G113 VanDerWaalsContact O-N 3.13Å; G113-I115 VanDerWaalsContact C-N 3.26Å; G113-I115 PolarHBondContact O-N 3.25Å; G113-I116 WeakPolarHBondContact O-CG1 3.44Å
114	P	64.5	Low	84.3	Confident	141 Å²	141	60.4 Å²	60.4	92%	0.916	36%	0.357	S	S	*	.	S	Bend	trans	-68.6	-15.9	-169	24.3	-33	0	0	0	115.3
115	I	61.8	Low	84.2	Confident	164 Å²	164	57.3 Å²	57.3	84%	0.841	35%	0.345	S	S	*	.	S	Bend	trans	-118.9	63.6	-175.1	-48.7	173.3	0	0	0	108.9	G113	G113-I115 VanDerWaalsContact C-N 3.26Å; G113-I115 PolarHBondContact O-N 3.25Å
116	I	64.5	Low	84.2	Confident	56 Å²	56	60.3 Å²	60.3	29%	0.287	36%	0.356	S	S	.	.			trans	-134.9	138.4	-178	-53.4	-179.9	0	0	0	111.8	G110 C112 G113 E118	G110-I116 WeakPolarHBondContact O-CD1 3.37Å; C112-I116 VanDerWaalsContact N-CD1 3.34Å; G113-I116 WeakPolarHBondContact O-CG1 3.44Å; I116-E118 VanDerWaalsContact C-N 3.25Å; I116-E118 HydrophobicContact CG2-CB 4.22Å; I116-E118 PolarHBondContact O-N 2.78Å
117	S	60.5	Low	84.2	Confident	122 Å²	122	64.3 Å²	64.3	85%	0.853	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-10.7	178.2	54.8	0	0	0	0	115.2
118	E	70	Confident	84.4	Confident	34 Å²	34	63 Å²	63	16%	0.159	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	34.8	-175.5	-62	-165.9	152.3	0	0	112.7	I116 A120 Y121 C122 K202 S203 S204	I116-E118 VanDerWaalsContact C-N 3.25Å; I116-E118 HydrophobicContact CG2-CB 4.22Å; I116-E118 PolarHBondContact O-N 2.78Å; E118-A120 PolarHBondContact O-N 2.78Å; E118-A120 VanDerWaalsContact O-N 3.08Å; E118-Y121 PolarHBondContact O-N 3.39Å; E118-C122 PolarHBondContact O-N 2.85Å; E118-K202 WeakPolarHBondContact OE2-CE 3.32Å; E118-K202 VanDerWaalsContact OE2-CG 3.31Å; E118-K202 WeakPolarHBondContact OE2-CG 3.48Å; E118-S203 PolarHBondContact OE1-OG 2.87Å; E118-S204 PolarHBondContact OE1-N 3.36Å; E118-S204 VanDerWaalsContact OE1-N 3.12Å
119	S	78.7	Confident	84.6	Confident	80 Å²	80	62.1 Å²	62.1	56%	0.559	37%	0.367	S	S	*	.	H	α-helix	trans	-51.7	-36.7	-177.2	61.6	0	0	0	0	113.4	Y121 C122 E123	S119-Y121 PolarHBondContact O-N 3.41Å; S119-C122 PolarHBondContact O-N 3.03Å; S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.87Å
120	A	90.5	Very high	85	Confident	58 Å²	58	60 Å²	60	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-37.9	178.6	0	0	0	0	0	113.6	E118 R124	E118-A120 PolarHBondContact O-N 2.78Å; E118-A120 VanDerWaalsContact O-N 3.08Å; A120-R124 VanDerWaalsContact C-NH1 3.29Å; A120-R124 WeakPolarHBondContact O-CG 3.48Å; A120-R124 PolarHBondContact O-N 2.87Å; A120-R124 PolarHBondContact O-NH1 2.88Å
121	Y	92.7	Very high	85.7	Confident	5 Å²	5	58.5 Å²	58.5	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-45.6	174	161.6	-101.5	0	0	0	110.2	Y111 E118 S119 E123 R124 L125 E197 L200 K202	Y111-Y121 HydrophobicContact CE1-CE1 4.48Å; Y111-Y121 PolarHBondContact OH-OH 2.62Å; E118-Y121 PolarHBondContact O-N 3.39Å; S119-Y121 PolarHBondContact O-N 3.41Å; Y121-E123 VanDerWaalsContact C-N 3.35Å; Y121-E123 PolarHBondContact O-N 3.01Å; Y121-R124 WeakPolarHBondContact O-CB 3.26Å; Y121-R124 PolarHBondContact O-N 2.93Å; Y121-R124 VanDerWaalsContact O-N 3.11Å; Y121-L125 HydrophobicContact CE1-CD2 4.17Å; Y121-L125 PolarHBondContact O-N 2.94Å; Y121-E197 HydrophobicContact CE2-CG 4.47Å; Y121-E197 WeakPolarHBondContact OH-CG 3.39Å; Y121-L200 HydrophobicContact CD2-CB 3.99Å; Y121-L200 HydrophobicContact CE2-CB 3.86Å; Y121-L200 HydrophobicContact CE2-CD1 4.29Å; Y121-K202 HydrophobicContact CD1-CB 4.47Å; Y121-K202 HydrophobicContact CD1-CD 3.94Å; Y121-K202 HydrophobicContact CD1-CG 3.95Å; Y121-K202 HydrophobicContact CD2-CB 3.62Å; Y121-K202 HydrophobicContact CD2-CD 4.44Å; Y121-K202 HydrophobicContact CD2-CG 4.01Å; Y121-K202 HydrophobicContact CE1-CD 3.74Å; Y121-K202 HydrophobicContact CE1-CG 4.22Å; Y121-K202 HydrophobicContact CE2-CB 3.8Å; Y121-K202 HydrophobicContact CE2-CD 4.24Å; Y121-K202 HydrophobicContact CE2-CG 4.25Å; Y121-K202 HydrophobicContact CG-CB 3.99Å; Y121-K202 HydrophobicContact CG-CD 4.3Å; Y121-K202 HydrophobicContact CG-CG 3.85Å
122	C	92.8	Very high	86.1	Confident	13 Å²	13	57.3 Å²	57.3	9%	0.088	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-39	-178.4	-65.1	0	0	0	0	112.9	C112 E118 S119 L125 K126	C112-C122 WeakPolarHBondContact CA-SG 3.31Å; C112-C122 HydrophobicContact CB-CB 3.63Å; C112-C122 WeakPolarHBondContact CB-SG 3.36Å; C112-C122 WeakPolarHBondContact SG-CA 3.42Å; C112-C122 WeakPolarHBondContact SG-CB 3.11Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 2.79Å; E118-C122 PolarHBondContact O-N 2.85Å; S119-C122 PolarHBondContact O-N 3.03Å; C122-L125 PolarHBondContact O-N 3.24Å; C122-K126 VanDerWaalsContact O-CB 3.29Å; C122-K126 WeakPolarHBondContact O-CB 3.19Å; C122-K126 PolarHBondContact O-N 3.12Å
123	E	93.8	Very high	86.7	Confident	108 Å²	108	56.9 Å²	56.9	51%	0.505	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-39.3	173	-72.4	-55.5	143.3	0	0	112.2	S119 Y121 T127	S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.87Å; Y121-E123 VanDerWaalsContact C-N 3.35Å; Y121-E123 PolarHBondContact O-N 3.01Å; E123-T127 VanDerWaalsContact O-CB 3.28Å; E123-T127 WeakPolarHBondContact O-CB 3.38Å; E123-T127 PolarHBondContact O-N 2.88Å; E123-T127 PolarHBondContact O-OG1 2.92Å
124	R	96.3	Very high	87.7	Confident	95 Å²	95	60.2 Å²	60.2	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-43.4	173	-72.6	-170.1	-57.6	-85.4	9.3	111.6	A120 Y121 T127 F128 L200 N201	A120-R124 VanDerWaalsContact C-NH1 3.29Å; A120-R124 WeakPolarHBondContact O-CG 3.48Å; A120-R124 PolarHBondContact O-N 2.87Å; A120-R124 PolarHBondContact O-NH1 2.88Å; Y121-R124 WeakPolarHBondContact O-CB 3.26Å; Y121-R124 PolarHBondContact O-N 2.93Å; Y121-R124 VanDerWaalsContact O-N 3.11Å; R124-T127 PolarHBondContact O-N 2.81Å; R124-F128 WeakPolarHBondContact O-CB 3.45Å; R124-F128 PolarHBondContact O-N 2.8Å; R124-L200 HydrophobicContact CB-CD2 4.36Å; R124-L200 VanDerWaalsContact CZ-O 3.23Å; R124-L200 PolarHBondContact NE-O 2.81Å; R124-L200 PolarHBondContact NH2-O 2.77Å; R124-N201 PolarHBondContact NH2-O 3.08Å
125	L	96.2	Very high	89.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-50.7	178	179.9	67.7	0	0	0	111.2	Y111 Y121 C122 T127 F128 I129 L182 L193 L196 L200	Y111-L125 HydrophobicContact CE1-CD2 3.73Å; Y121-L125 HydrophobicContact CE1-CD2 4.17Å; Y121-L125 PolarHBondContact O-N 2.94Å; C122-L125 PolarHBondContact O-N 3.24Å; L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.38Å; L125-F128 WeakPolarHBondContact O-CB 3.31Å; L125-F128 PolarHBondContact O-N 3.41Å; L125-F128 VanDerWaalsContact O-N 3.13Å; L125-I129 HydrophobicContact CD1-CD1 3.87Å; L125-I129 HydrophobicContact CD1-CG1 4.18Å; L125-I129 HydrophobicContact CD2-CD1 4.36Å; L125-I129 HydrophobicContact CG-CD1 3.76Å; L125-I129 HydrophobicContact CG-CG1 4.39Å; L125-I129 WeakPolarHBondContact O-CG1 3.4Å; L125-I129 PolarHBondContact O-N 2.94Å; L125-L182 HydrophobicContact CD2-CD2 4.17Å; L125-L193 HydrophobicContact CD1-CD2 3.8Å; L125-L193 HydrophobicContact CD2-CD2 3.88Å; L125-L193 HydrophobicContact CG-CD2 4.47Å; L125-L196 HydrophobicContact CD1-CB 4.4Å; L125-L196 HydrophobicContact CD1-CD1 4.24Å; L125-L200 VanDerWaalsContact CA-CD1 3.5Å; L125-L200 HydrophobicContact CB-CD1 3.91Å; L125-L200 HydrophobicContact CD1-CD1 3.77Å; L125-L200 HydrophobicContact CG-CD1 4.48Å
126	K	96.1	Very high	91	Very high	88 Å²	88	47.5 Å²	47.5	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-42.3	176.7	-177.5	-178.3	175.8	-173.7	0	111.5	C122 S130 P181 L182	C122-K126 VanDerWaalsContact O-CB 3.29Å; C122-K126 WeakPolarHBondContact O-CB 3.19Å; C122-K126 PolarHBondContact O-N 3.12Å; K126-S130 VanDerWaalsContact O-CB 3.26Å; K126-S130 WeakPolarHBondContact O-CB 3.28Å; K126-S130 PolarHBondContact O-N 2.78Å; K126-S130 PolarHBondContact O-OG 2.86Å; K126-P181 HydrophobicContact CG-CB 4.28Å; K126-P181 HydrophobicContact CG-CG 4.5Å; K126-L182 HydrophobicContact CB-CD1 4.32Å; K126-L182 HydrophobicContact CB-CG 4.49Å
127	T	97.4	Very high	92.6	Very high	89 Å²	89	45.6 Å²	45.6	55%	0.546	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-46.2	176.1	-59.6	0	0	0	0	111.4	E123 R124 L125 S130 A131	E123-T127 VanDerWaalsContact O-CB 3.28Å; E123-T127 WeakPolarHBondContact O-CB 3.38Å; E123-T127 PolarHBondContact O-N 2.88Å; E123-T127 PolarHBondContact O-OG1 2.92Å; R124-T127 PolarHBondContact O-N 2.81Å; L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.38Å; T127-S130 PolarHBondContact O-N 3.34Å; T127-A131 WeakPolarHBondContact O-CB 3.22Å; T127-A131 PolarHBondContact O-N 3.24Å
128	F	98.2	Very high	94.4	Very high	19 Å²	19	41.5 Å²	41.5	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-50.9	177.8	-174.7	-80.7	0	0	0	111.7	R124 L125 S130 A131 N132 L196 L200 V306 P308 M313	R124-F128 WeakPolarHBondContact O-CB 3.45Å; R124-F128 PolarHBondContact O-N 2.8Å; L125-F128 WeakPolarHBondContact O-CB 3.31Å; L125-F128 PolarHBondContact O-N 3.41Å; L125-F128 VanDerWaalsContact O-N 3.13Å; F128-S130 PolarHBondContact O-N 3.18Å; F128-A131 PolarHBondContact O-N 2.87Å; F128-N132 WeakPolarHBondContact O-CB 3.42Å; F128-N132 PolarHBondContact O-N 3.44Å; F128-L196 HydrophobicContact CD1-CD2 3.95Å; F128-L196 HydrophobicContact CE1-CD1 4.42Å; F128-L196 HydrophobicContact CE1-CD2 3.54Å; F128-L196 HydrophobicContact CE2-CD2 4.25Å; F128-L196 HydrophobicContact CG-CD2 4.49Å; F128-L196 HydrophobicContact CZ-CD2 3.71Å; F128-L200 HydrophobicContact CB-CD1 4.29Å; F128-L200 HydrophobicContact CB-CD2 4.47Å; F128-L200 HydrophobicContact CD2-CD2 4.24Å; F128-V306 HydrophobicContact CE2-CG1 4.32Å; F128-V306 HydrophobicContact CZ-CG1 3.94Å; F128-P308 HydrophobicContact CD1-CB 4.38Å; F128-P308 HydrophobicContact CD2-CB 3.92Å; F128-P308 HydrophobicContact CD2-CG 4.2Å; F128-P308 HydrophobicContact CE1-CB 4.37Å; F128-P308 HydrophobicContact CE2-CB 3.94Å; F128-P308 HydrophobicContact CE2-CG 4.25Å; F128-P308 HydrophobicContact CG-CB 4.14Å; F128-P308 HydrophobicContact CZ-CB 4.15Å; F128-P308 WeakPolarHBondContact O-CB 3.38Å; F128-M313 HydrophobicContact CD1-CE 4.31Å; F128-M313 HydrophobicContact CE1-CE 4.1Å
129	I	98	Very high	95.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-44.9	-179.8	-64.9	172	0	0	0	110.5	L125 A131 N132 L133 P181 L182 L185 M189 M313	L125-I129 HydrophobicContact CD1-CD1 3.87Å; L125-I129 HydrophobicContact CD1-CG1 4.18Å; L125-I129 HydrophobicContact CD2-CD1 4.36Å; L125-I129 HydrophobicContact CG-CD1 3.76Å; L125-I129 HydrophobicContact CG-CG1 4.39Å; L125-I129 WeakPolarHBondContact O-CG1 3.4Å; L125-I129 PolarHBondContact O-N 2.94Å; I129-A131 PolarHBondContact O-N 3.5Å; I129-N132 PolarHBondContact O-N 3.33Å; I129-L133 HydrophobicContact CG2-CD1 3.89Å; I129-L133 HydrophobicContact CG2-CG 4.22Å; I129-L133 WeakPolarHBondContact O-CB 3.09Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 2.81Å; I129-P181 HydrophobicContact CB-CB 4.01Å; I129-P181 HydrophobicContact CG2-CB 3.65Å; I129-L182 HydrophobicContact CD1-CD2 4.3Å; I129-L185 HydrophobicContact CG2-CD2 3.49Å; I129-L185 VanDerWaalsContact CG2-CD2 3.49Å; I129-M189 HydrophobicContact CD1-CE 3.75Å; I129-M189 HydrophobicContact CD1-SD 3.74Å; I129-M189 HydrophobicContact CG1-CE 3.81Å; I129-M189 HydrophobicContact CG1-SD 4.07Å; I129-M189 HydrophobicContact CG2-SD 4.47Å; I129-M313 HydrophobicContact CG1-CE 4.21Å
130	S	97.8	Very high	96.6	Very high	47 Å²	47	38.6 Å²	38.6	33%	0.329	21%	0.205	S	C	.	.	H	α-helix	trans	-61.3	-44.3	179.4	-56.9	0	0	0	0	111.7	K126 T127 F128 N132 Q134 P181	K126-S130 VanDerWaalsContact O-CB 3.26Å; K126-S130 WeakPolarHBondContact O-CB 3.28Å; K126-S130 PolarHBondContact O-N 2.78Å; K126-S130 PolarHBondContact O-OG 2.86Å; T127-S130 PolarHBondContact O-N 3.34Å; F128-S130 PolarHBondContact O-N 3.18Å; S130-N132 VanDerWaalsContact C-N 3.34Å; S130-Q134 VanDerWaalsContact O-CB 3.32Å; S130-Q134 WeakPolarHBondContact O-CB 3.38Å; S130-Q134 PolarHBondContact O-N 2.94Å; S130-P181 WeakPolarHBondContact OG-CG 3.41Å
131	A	98.3	Very high	96.8	Very high	36 Å²	36	40.6 Å²	40.6	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-37.6	176.9	0	0	0	0	0	112.1	T127 F128 I129 W135 P308	T127-A131 WeakPolarHBondContact O-CB 3.22Å; T127-A131 PolarHBondContact O-N 3.24Å; F128-A131 PolarHBondContact O-N 2.87Å; I129-A131 PolarHBondContact O-N 3.5Å; A131-W135 WeakPolarHBondContact O-CB 3.27Å; A131-W135 PolarHBondContact O-N 3.09Å; A131-P308 HydrophobicContact CB-CB 3.84Å; A131-P308 HydrophobicContact CB-CG 4.16Å
132	N	98.5	Very high	97	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-49.4	175.5	-178.1	-104.1	0	0	0	112.5	F128 I129 S130 Q134 W135 V136 P308 T311 M313	F128-N132 WeakPolarHBondContact O-CB 3.42Å; F128-N132 PolarHBondContact O-N 3.44Å; I129-N132 PolarHBondContact O-N 3.33Å; S130-N132 VanDerWaalsContact C-N 3.34Å; N132-Q134 VanDerWaalsContact C-N 3.28Å; N132-Q134 PolarHBondContact O-N 3.15Å; N132-W135 PolarHBondContact O-N 3.06Å; N132-W135 VanDerWaalsContact O-N 3.13Å; N132-V136 WeakPolarHBondContact O-CB 3.33Å; N132-V136 WeakPolarHBondContact O-CG2 3.39Å; N132-V136 PolarHBondContact O-N 2.82Å; N132-P308 WeakPolarHBondContact CA-O 3.49Å; N132-P308 HydrophobicContact CB-CB 4.29Å; N132-P308 WeakPolarHBondContact CB-O 3.32Å; N132-P308 PolarHBondContact ND2-O 2.86Å; N132-T311 PolarHBondContact ND2-O 3.04Å; N132-M313 HydrophobicContact CB-CE 4.13Å
133	L	97.9	Very high	97.2	Very high	13 Å²	13	49.5 Å²	49.5	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-42.5	176.3	-72.6	173.1	0	0	0	111.8	I129 V136 Q137 L156 L179 L185	I129-L133 HydrophobicContact CG2-CD1 3.89Å; I129-L133 HydrophobicContact CG2-CG 4.22Å; I129-L133 WeakPolarHBondContact O-CB 3.09Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 2.81Å; L133-V136 PolarHBondContact O-N 3.49Å; L133-Q137 WeakPolarHBondContact O-CB 3.42Å; L133-Q137 WeakPolarHBondContact O-CG 3.34Å; L133-Q137 PolarHBondContact O-N 3.41Å; L133-L156 HydrophobicContact CD2-CD2 4.41Å; L133-L179 HydrophobicContact CD1-CB 4.16Å; L133-L179 HydrophobicContact CD2-CD1 4.19Å; L133-L185 HydrophobicContact CD1-CD2 3.82Å; L133-L185 HydrophobicContact CD2-CD2 3.99Å; L133-L185 HydrophobicContact CG-CD2 4.16Å
134	Q	97.6	Very high	97.1	Very high	90 Å²	90	48.6 Å²	48.6	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-49.4	175.6	180	65.1	26.4	0	0	111	S130 N132 Q137 D138 R176	S130-Q134 VanDerWaalsContact O-CB 3.32Å; S130-Q134 WeakPolarHBondContact O-CB 3.38Å; S130-Q134 PolarHBondContact O-N 2.94Å; N132-Q134 VanDerWaalsContact C-N 3.28Å; N132-Q134 PolarHBondContact O-N 3.15Å; Q134-Q137 PolarHBondContact O-N 3.38Å; Q134-D138 PolarHBondContact NE2-OD1 3.12Å; Q134-D138 VanDerWaalsContact NE2-OD1 3.11Å; Q134-D138 PolarHBondContact O-N 3.02Å; Q134-R176 PolarHBondContact O-NH2 3.3Å; Q134-R176 VanDerWaalsContact O-NH2 3.16Å; Q134-R176 VanDerWaalsContact OE1-NH2 3.07Å
135	W	98.3	Very high	97	Very high	38 Å²	38	48 Å²	48	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-43.4	179.6	177.3	86.6	0	0	0	112.4	A131 N132 D138 Q139 W149 T309 T311 V312 Y338	A131-W135 WeakPolarHBondContact O-CB 3.27Å; A131-W135 PolarHBondContact O-N 3.09Å; N132-W135 PolarHBondContact O-N 3.06Å; N132-W135 VanDerWaalsContact O-N 3.13Å; W135-D138 WeakPolarHBondContact O-CB 3.36Å; W135-D138 PolarHBondContact O-N 2.87Å; W135-Q139 HydrophobicContact CD2-CG 4.06Å; W135-Q139 HydrophobicContact CE3-CG 4.28Å; W135-Q139 HydrophobicContact CH2-CG 3.79Å; W135-Q139 HydrophobicContact CZ2-CG 3.53Å; W135-Q139 HydrophobicContact CZ3-CG 4.15Å; W135-Q139 WeakPolarHBondContact O-CG 3.27Å; W135-Q139 PolarHBondContact O-N 3.22Å; W135-W149 AromaticContact CH2-CH2 3.81Å; W135-W149 HydrophobicContact CH2-CH2 3.81Å; W135-W149 HydrophobicContact CH2-CZ2 4.19Å; W135-W149 AromaticContact CZ3-CH2 3.79Å; W135-W149 HydrophobicContact CZ3-CH2 3.79Å; W135-T309 HydrophobicContact CB-CG2 3.96Å; W135-T309 HydrophobicContact CG-CG2 4.08Å; W135-T311 WeakPolarHBondContact CZ3-O 3.47Å; W135-V312 HydrophobicContact CZ3-CG2 3.97Å; W135-Y338 AromaticContact CH2-CD1 3.82Å; W135-Y338 HydrophobicContact CH2-CD1 3.82Å; W135-Y338 HydrophobicContact CH2-CE1 4.24Å; W135-Y338 HydrophobicContact CH2-CG 4.33Å
136	V	98.3	Very high	97	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-48	176.9	166.3	0	0	0	0	110.6	N132 L133 D138 Q139 V140 W149 V152 L156 V312 L316	N132-V136 WeakPolarHBondContact O-CB 3.33Å; N132-V136 WeakPolarHBondContact O-CG2 3.39Å; N132-V136 PolarHBondContact O-N 2.82Å; L133-V136 PolarHBondContact O-N 3.49Å; V136-D138 VanDerWaalsContact C-N 3.34Å; V136-D138 PolarHBondContact O-N 3.41Å; V136-Q139 WeakPolarHBondContact O-CB 3.42Å; V136-Q139 PolarHBondContact O-N 2.92Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; V136-V140 WeakPolarHBondContact O-CG2 3.29Å; V136-V140 PolarHBondContact O-N 2.95Å; V136-W149 HydrophobicContact CG1-CZ3 4.17Å; V136-V152 HydrophobicContact CG1-CG1 3.59Å; V136-L156 HydrophobicContact CG1-CD1 3.86Å; V136-V312 HydrophobicContact CG2-CG2 4.44Å; V136-L316 HydrophobicContact CG1-CD2 4.36Å
137	Q	96.9	Very high	97.1	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-38.8	176.8	-73.4	-175.3	28.4	0	0	112.2	L133 Q134 Q139 V140 E141 L156 F177	L133-Q137 WeakPolarHBondContact O-CB 3.42Å; L133-Q137 WeakPolarHBondContact O-CG 3.34Å; L133-Q137 PolarHBondContact O-N 3.41Å; Q134-Q137 PolarHBondContact O-N 3.38Å; Q137-Q139 VanDerWaalsContact C-N 3.26Å; Q137-Q139 PolarHBondContact O-N 3.19Å; Q137-V140 WeakPolarHBondContact O-CB 3.2Å; Q137-V140 PolarHBondContact O-N 3.15Å; Q137-E141 WeakPolarHBondContact O-CG 3.47Å; Q137-E141 PolarHBondContact O-N 3.38Å; Q137-L156 HydrophobicContact CG-CD1 4.43Å; Q137-F177 PolarHBondContact NE2-O 2.93Å; Q137-F177 PolarHBondContact OE1-O 3.43Å
138	D	97.7	Very high	97.1	Very high	36 Å²	36	43.4 Å²	43.4	19%	0.193	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-35.6	174.5	-67.9	-7.2	0	0	0	111.6	Q134 W135 V136 K142 R176	Q134-D138 PolarHBondContact NE2-OD1 3.12Å; Q134-D138 VanDerWaalsContact NE2-OD1 3.11Å; Q134-D138 PolarHBondContact O-N 3.02Å; W135-D138 WeakPolarHBondContact O-CB 3.36Å; W135-D138 PolarHBondContact O-N 2.87Å; V136-D138 VanDerWaalsContact C-N 3.34Å; V136-D138 PolarHBondContact O-N 3.41Å; D138-K142 VanDerWaalsContact O-CB 3.31Å; D138-K142 WeakPolarHBondContact O-CB 3.39Å; D138-K142 WeakPolarHBondContact O-CD 3.22Å; D138-K142 WeakPolarHBondContact O-CG 3.43Å; D138-K142 PolarHBondContact O-N 3.25Å; D138-R176 IonicContact OD1-CZ 3.13Å; D138-R176 VanDerWaalsContact OD1-CZ 3.24Å; D138-R176 IonicContact OD1-NH1 2.79Å; D138-R176 PolarHBondContact OD1-NH1 3.35Å; D138-R176 IonicContact OD1-NH2 3.51Å; D138-R176 PolarHBondContact OD1-NH2 3.38Å
139	Q	98	Very high	97.1	Very high	31 Å²	31	42.7 Å²	42.7	15%	0.145	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-40.1	175.3	-66.7	-53.8	-52.7	0	0	112.3	W135 V136 Q137 E141 K142 Q143 W149	W135-Q139 HydrophobicContact CD2-CG 4.06Å; W135-Q139 HydrophobicContact CE3-CG 4.28Å; W135-Q139 HydrophobicContact CH2-CG 3.79Å; W135-Q139 HydrophobicContact CZ2-CG 3.53Å; W135-Q139 HydrophobicContact CZ3-CG 4.15Å; W135-Q139 WeakPolarHBondContact O-CG 3.27Å; W135-Q139 PolarHBondContact O-N 3.22Å; V136-Q139 WeakPolarHBondContact O-CB 3.42Å; V136-Q139 PolarHBondContact O-N 2.92Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; Q137-Q139 VanDerWaalsContact C-N 3.26Å; Q137-Q139 PolarHBondContact O-N 3.19Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 3.02Å; Q139-K142 PolarHBondContact O-N 2.91Å; Q139-Q143 WeakPolarHBondContact O-CB 3.46Å; Q139-Q143 PolarHBondContact O-N 3.45Å; Q139-W149 HydrophobicContact CB-CD2 3.75Å; Q139-W149 HydrophobicContact CB-CE3 3.76Å; Q139-W149 HydrophobicContact CB-CH2 3.39Å; Q139-W149 HydrophobicContact CB-CZ2 3.36Å; Q139-W149 HydrophobicContact CB-CZ3 3.59Å; Q139-W149 HydrophobicContact CG-CH2 3.61Å; Q139-W149 HydrophobicContact CG-CZ2 3.59Å; Q139-W149 HydrophobicContact CG-CZ3 4.26Å
140	V	96.7	Very high	97.1	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-56.1	-48.5	173.1	169.4	0	0	0	0	110.8	V136 Q137 Q143 W149 V152 H153	V136-V140 WeakPolarHBondContact O-CG2 3.29Å; V136-V140 PolarHBondContact O-N 2.95Å; Q137-V140 WeakPolarHBondContact O-CB 3.2Å; Q137-V140 PolarHBondContact O-N 3.15Å; V140-Q143 PolarHBondContact O-N 3.31Å; V140-W149 HydrophobicContact CG2-CB 4.38Å; V140-W149 HydrophobicContact CG2-CE3 3.9Å; V140-V152 HydrophobicContact CG2-CB 4.46Å; V140-V152 HydrophobicContact CG2-CG1 3.96Å; V140-H153 HydrophobicContact CG1-CB 3.69Å; V140-H153 HydrophobicContact CG2-CB 4.21Å
141	E	95.6	Very high	97.1	Very high	100 Å²	100	41.4 Å²	41.4	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-66.4	-37.9	179.7	-70.3	173.2	-178.7	0	0	112.7	Q137 Q139 R176	Q137-E141 WeakPolarHBondContact O-CG 3.47Å; Q137-E141 PolarHBondContact O-N 3.38Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 3.02Å; E141-R176 WeakPolarHBondContact OE1-CB 3.42Å; E141-R176 VanDerWaalsContact OE1-CD 3.26Å; E141-R176 WeakPolarHBondContact OE1-CD 3.37Å; E141-R176 WeakPolarHBondContact OE1-CG 3.32Å; E141-R176 IonicContact OE1-CZ 3.61Å; E141-R176 IonicContact OE1-NE 3.48Å; E141-R176 IonicContact OE1-NH1 3.57Å; E141-R176 PolarHBondContact OE1-NH1 3.47Å; E141-R176 IonicContact OE2-NH1 3.54Å; E141-R176 PolarHBondContact OE2-NH1 2.94Å
142	K	97.2	Very high	97.2	Very high	143 Å²	143	39.7 Å²	39.7	62%	0.622	21%	0.205	S	C	*	.	H	α-helix	trans	-76.4	-20.3	-178.9	-73.9	167.9	-172.7	165.2	0	113.8	D138 Q139 P144	D138-K142 VanDerWaalsContact O-CB 3.31Å; D138-K142 WeakPolarHBondContact O-CB 3.39Å; D138-K142 WeakPolarHBondContact O-CD 3.22Å; D138-K142 WeakPolarHBondContact O-CG 3.43Å; D138-K142 PolarHBondContact O-N 3.25Å; Q139-K142 PolarHBondContact O-N 2.91Å; K142-P144 WeakPolarHBondContact O-CD 3.49Å
143	Q	96.1	Very high	97.1	Very high	61 Å²	61	41.8 Å²	41.8	29%	0.285	21%	0.214	S	C	.	.			trans	-126.7	57.2	-174.6	-56.7	-172.9	50.8	0	0	111.6	Q139 V140 T145 S146 W149	Q139-Q143 WeakPolarHBondContact O-CB 3.46Å; Q139-Q143 PolarHBondContact O-N 3.45Å; V140-Q143 PolarHBondContact O-N 3.31Å; Q143-T145 PolarHBondContact O-N 3.42Å; Q143-S146 WeakPolarHBondContact O-CB 3.38Å; Q143-S146 PolarHBondContact O-N 3.43Å; Q143-W149 HydrophobicContact CB-CB 4.48Å; Q143-W149 HydrophobicContact CB-CG 4.2Å; Q143-W149 VanDerWaalsContact OE1-CD1 3.26Å
144	P	92	Very high	97.2	Very high	89 Å²	89	41.1 Å²	41.1	58%	0.578	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-12.1	-169.4	29.1	-37.4	0	0	0	114.2	K142 P255	K142-P144 WeakPolarHBondContact O-CD 3.49Å; P144-P255 WeakPolarHBondContact O-CG 3.47Å
145	T	93.9	Very high	97.2	Very high	83 Å²	83	36.9 Å²	36.9	51%	0.509	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-4.1	179.2	59.8	0	0	0	0	113.1	Q143 P147 L256	Q143-T145 PolarHBondContact O-N 3.42Å; T145-P147 WeakPolarHBondContact O-CD 3.23Å; T145-L256 HydrophobicContact CG2-CD1 3.65Å; T145-L256 HydrophobicContact CG2-CD2 4.3Å; T145-L256 HydrophobicContact CG2-CG 4.18Å
146	S	96.8	Very high	97.2	Very high	25 Å²	25	35.1 Å²	35.1	18%	0.175	19%	0.185	C	C	.	.			trans	-75.8	124.5	-176.9	175.3	0	0	0	0	110.9	Q143 Y148 W149 H150	Q143-S146 WeakPolarHBondContact O-CB 3.38Å; Q143-S146 PolarHBondContact O-N 3.43Å; S146-Y148 PolarHBondContact O-N 3.06Å; S146-Y148 PolarHBondContact OG-N 3.1Å; S146-W149 PolarHBondContact O-N 3.49Å; S146-W149 PolarHBondContact OG-N 2.75Å; S146-H150 WeakPolarHBondContact O-CB 3.22Å; S146-H150 PolarHBondContact O-N 3.17Å
147	P	97.3	Very high	97.3	Very high	48 Å²	48	35.1 Å²	35.1	31%	0.312	19%	0.185	S	C	.	.	H	α-helix	trans	-55.6	-40.9	173.4	-25.1	33.3	0	0	0	112.3	T145 H150 Q151 T253 L324	T145-P147 WeakPolarHBondContact O-CD 3.23Å; P147-H150 PolarHBondContact O-N 2.99Å; P147-Q151 WeakPolarHBondContact O-CG 3.49Å; P147-Q151 PolarHBondContact O-N 3.4Å; P147-T253 HydrophobicContact CB-CG2 4.31Å; P147-L324 HydrophobicContact CB-CD2 4.35Å
148	Y	98.4	Very high	97.4	Very high	8 Å²	8	34.4 Å²	34.4	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-51.9	179.3	-176.4	-84.6	0	0	0	111.6	S146 H150 Q151 V152 V312 V320 I334 K337 Y338	S146-Y148 PolarHBondContact O-N 3.06Å; S146-Y148 PolarHBondContact OG-N 3.1Å; Y148-H150 VanDerWaalsContact C-N 3.34Å; Y148-H150 PolarHBondContact O-N 3.34Å; Y148-Q151 PolarHBondContact O-N 2.63Å; Y148-V152 HydrophobicContact CD1-CG2 4.04Å; Y148-V152 HydrophobicContact CE1-CG2 3.7Å; Y148-V152 WeakPolarHBondContact O-CG2 3.43Å; Y148-V152 PolarHBondContact O-N 2.79Å; Y148-V312 HydrophobicContact CE1-CG2 4.42Å; Y148-V320 HydrophobicContact CD2-CG1 3.47Å; Y148-V320 VanDerWaalsContact CD2-CG1 3.47Å; Y148-V320 HydrophobicContact CE2-CB 4.29Å; Y148-V320 HydrophobicContact CE2-CG1 3.63Å; Y148-V320 HydrophobicContact CG-CG1 4.12Å; Y148-I334 HydrophobicContact CD2-CG2 4.17Å; Y148-I334 HydrophobicContact CE2-CG2 4.27Å; Y148-K337 HydrophobicContact CD2-CD 3.99Å; Y148-K337 HydrophobicContact CE2-CB 4.09Å; Y148-K337 HydrophobicContact CE2-CD 4.23Å; Y148-Y338 HydrophobicContact CD1-CD2 4.41Å; Y148-Y338 AromaticContact CD1-CE2 3.95Å; Y148-Y338 HydrophobicContact CD1-CE2 3.95Å; Y148-Y338 AromaticContact CE1-CD2 3.64Å; Y148-Y338 HydrophobicContact CE1-CD2 3.64Å; Y148-Y338 AromaticContact CE1-CE2 3.62Å; Y148-Y338 HydrophobicContact CE1-CE2 3.62Å; Y148-Y338 AromaticContact CZ-CD2 3.73Å
149	W	98.1	Very high	97.4	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.011	17%	0.172	C	C	.	.	H	α-helix	trans	-74	-26.1	-177.3	-67.3	112.7	0	0	0	113.1	W135 V136 Q139 V140 Q143 S146 V152 H153 V312 Y338	W135-W149 AromaticContact CH2-CH2 3.81Å; W135-W149 HydrophobicContact CH2-CH2 3.81Å; W135-W149 HydrophobicContact CH2-CZ2 4.19Å; W135-W149 AromaticContact CZ3-CH2 3.79Å; W135-W149 HydrophobicContact CZ3-CH2 3.79Å; V136-W149 HydrophobicContact CG1-CZ3 4.17Å; Q139-W149 HydrophobicContact CB-CD2 3.75Å; Q139-W149 HydrophobicContact CB-CE3 3.76Å; Q139-W149 HydrophobicContact CB-CH2 3.39Å; Q139-W149 HydrophobicContact CB-CZ2 3.36Å; Q139-W149 HydrophobicContact CB-CZ3 3.59Å; Q139-W149 HydrophobicContact CG-CH2 3.61Å; Q139-W149 HydrophobicContact CG-CZ2 3.59Å; Q139-W149 HydrophobicContact CG-CZ3 4.26Å; V140-W149 HydrophobicContact CG2-CB 4.38Å; V140-W149 HydrophobicContact CG2-CE3 3.9Å; Q143-W149 HydrophobicContact CB-CB 4.48Å; Q143-W149 HydrophobicContact CB-CG 4.2Å; Q143-W149 VanDerWaalsContact OE1-CD1 3.26Å; S146-W149 PolarHBondContact O-N 3.49Å; S146-W149 PolarHBondContact OG-N 2.75Å; W149-V152 HydrophobicContact CE3-CB 4.01Å; W149-V152 HydrophobicContact CE3-CG1 3.96Å; W149-V152 HydrophobicContact CE3-CG2 4Å; W149-V152 HydrophobicContact CZ3-CG1 4.14Å; W149-V152 HydrophobicContact CZ3-CG2 4.26Å; W149-V152 PolarHBondContact O-N 3Å; W149-H153 WeakPolarHBondContact O-CB 3.45Å; W149-H153 PolarHBondContact O-N 3.12Å; W149-V312 HydrophobicContact CH2-CG2 3.77Å; W149-V312 HydrophobicContact CZ3-CG2 4.13Å; W149-Y338 HydrophobicContact CH2-CD2 4.4Å; W149-Y338 HydrophobicContact CH2-CE2 4.25Å; W149-Y338 HydrophobicContact CZ2-CD2 4.07Å; W149-Y338 HydrophobicContact CZ2-CE1 4.02Å; W149-Y338 AromaticContact CZ2-CE2 3.5Å; W149-Y338 HydrophobicContact CZ2-CE2 3.5Å; W149-Y338 VanDerWaalsContact CZ2-CE2 3.5Å; W149-Y338 AromaticContact CZ2-CZ 3.47Å; W149-Y338 VanDerWaalsContact CZ2-CZ 3.47Å; W149-Y338 PolarHBondContact NE1-OH 3.43Å
150	H	97.9	Very high	97.4	Very high	21 Å²	21	33 Å²	33	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-52.2	166.8	-178.2	56.6	0	0	0	110.8	D81 S146 P147 Y148 V152 H153 L154	D81-H150 IonicContact OD2-CE1 3.76Å; D81-H150 IonicContact OD2-NE2 2.76Å; D81-H150 PolarHBondContact OD2-NE2 3.46Å; S146-H150 WeakPolarHBondContact O-CB 3.22Å; S146-H150 PolarHBondContact O-N 3.17Å; P147-H150 PolarHBondContact O-N 2.99Å; Y148-H150 VanDerWaalsContact C-N 3.34Å; Y148-H150 PolarHBondContact O-N 3.34Å; H150-V152 VanDerWaalsContact C-N 3.31Å; H150-V152 PolarHBondContact O-N 2.93Å; H150-H153 WeakPolarHBondContact O-CB 3.44Å; H150-H153 PolarHBondContact O-N 3.34Å; H150-H153 VanDerWaalsContact O-N 3.1Å; H150-L154 WeakPolarHBondContact O-CG 3.31Å; H150-L154 PolarHBondContact O-N 3.28Å
151	Q	98.6	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-36.1	178.5	-62.6	-47.3	-44.9	0	0	113.1	P147 Y148 L154 A155 K252 T253 V320 R323 L324	P147-Q151 WeakPolarHBondContact O-CG 3.49Å; P147-Q151 PolarHBondContact O-N 3.4Å; Y148-Q151 PolarHBondContact O-N 2.63Å; Q151-L154 PolarHBondContact O-N 3.49Å; Q151-A155 PolarHBondContact O-N 3.42Å; Q151-K252 PolarHBondContact NE2-O 2.92Å; Q151-T253 PolarHBondContact NE2-O 3.28Å; Q151-T253 VanDerWaalsContact NE2-O 3.11Å; Q151-V320 HydrophobicContact CB-CB 4.49Å; Q151-V320 HydrophobicContact CB-CG1 4.16Å; Q151-V320 HydrophobicContact CB-CG2 3.99Å; Q151-R323 PolarHBondContact O-NH1 3.25Å; Q151-L324 HydrophobicContact CG-CD1 4.01Å; Q151-L324 HydrophobicContact CG-CD2 3.7Å; Q151-L324 HydrophobicContact CG-CG 3.79Å
152	V	98.6	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-49.3	171.7	166.3	0	0	0	0	110.9	V136 V140 Y148 W149 H150 L154 A155 L156 L316 V320	V136-V152 HydrophobicContact CG1-CG1 3.59Å; V140-V152 HydrophobicContact CG2-CB 4.46Å; V140-V152 HydrophobicContact CG2-CG1 3.96Å; Y148-V152 HydrophobicContact CD1-CG2 4.04Å; Y148-V152 HydrophobicContact CE1-CG2 3.7Å; Y148-V152 WeakPolarHBondContact O-CG2 3.43Å; Y148-V152 PolarHBondContact O-N 2.79Å; W149-V152 HydrophobicContact CE3-CB 4.01Å; W149-V152 HydrophobicContact CE3-CG1 3.96Å; W149-V152 HydrophobicContact CE3-CG2 4Å; W149-V152 HydrophobicContact CZ3-CG1 4.14Å; W149-V152 HydrophobicContact CZ3-CG2 4.26Å; W149-V152 PolarHBondContact O-N 3Å; H150-V152 VanDerWaalsContact C-N 3.31Å; H150-V152 PolarHBondContact O-N 2.93Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.45Å; V152-A155 PolarHBondContact O-N 3.48Å; V152-L156 HydrophobicContact CG1-CD1 4.18Å; V152-L156 HydrophobicContact CG1-CG 4.5Å; V152-L156 WeakPolarHBondContact O-CG 3.38Å; V152-L156 PolarHBondContact O-N 3.29Å; V152-L316 HydrophobicContact CG1-CD1 4.4Å; V152-L316 HydrophobicContact CG1-CD2 3.74Å; V152-L316 HydrophobicContact CG1-CG 4.4Å; V152-L316 HydrophobicContact CG2-CD1 4.37Å; V152-L316 HydrophobicContact CG2-CD2 4.29Å; V152-L316 HydrophobicContact CG2-CG 4.21Å; V152-V320 HydrophobicContact CG2-CG2 3.71Å
153	H	98.2	Very high	97.7	Very high	49 Å²	49	20.6 Å²	20.6	23%	0.227	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-44.5	178.9	178.8	60.8	0	0	0	112.2	V140 W149 H150 A155 L156 L157 F177	V140-H153 HydrophobicContact CG1-CB 3.69Å; V140-H153 HydrophobicContact CG2-CB 4.21Å; W149-H153 WeakPolarHBondContact O-CB 3.45Å; W149-H153 PolarHBondContact O-N 3.12Å; H150-H153 WeakPolarHBondContact O-CB 3.44Å; H150-H153 PolarHBondContact O-N 3.34Å; H150-H153 VanDerWaalsContact O-N 3.1Å; H153-A155 PolarHBondContact O-N 2.93Å; H153-L156 PolarHBondContact O-N 2.92Å; H153-L157 VanDerWaalsContact NE2-CD1 3.32Å; H153-L157 WeakPolarHBondContact NE2-CD1 3.38Å; H153-L157 PolarHBondContact O-N 3.46Å; H153-F177 AromaticContact CE1-CE1 3.9Å
154	L	98.6	Very high	97.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.1	-42.4	177.3	-62.7	-174.7	0	0	0	112.2	D81 A85 H150 Q151 V152 L156 L157 Q158 F251	D81-L154 HydrophobicContact CB-CD1 3.81Å; D81-L154 HydrophobicContact CB-CD2 3.72Å; D81-L154 HydrophobicContact CB-CG 4.4Å; D81-L154 WeakPolarHBondContact O-CD2 3.43Å; A85-L154 HydrophobicContact CB-CB 3.96Å; A85-L154 HydrophobicContact CB-CD2 4.02Å; A85-L154 WeakPolarHBondContact CB-O 3.18Å; H150-L154 WeakPolarHBondContact O-CG 3.31Å; H150-L154 PolarHBondContact O-N 3.28Å; Q151-L154 PolarHBondContact O-N 3.49Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.45Å; L154-L156 PolarHBondContact O-N 3.3Å; L154-L157 PolarHBondContact O-N 3.04Å; L154-Q158 PolarHBondContact O-N 3.43Å; L154-F251 HydrophobicContact CD1-CB 4.1Å; L154-F251 HydrophobicContact CD1-CD1 4.41Å; L154-F251 HydrophobicContact CD1-CD2 3.82Å; L154-F251 HydrophobicContact CD1-CE2 4.38Å; L154-F251 HydrophobicContact CD1-CG 3.85Å
155	A	98.7	Very high	98.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.4	-40.4	176.6	0	0	0	0	0	112.3	Q151 V152 H153 Q158 I159 W315 L316 I319	Q151-A155 PolarHBondContact O-N 3.42Å; V152-A155 PolarHBondContact O-N 3.48Å; H153-A155 PolarHBondContact O-N 2.93Å; A155-Q158 WeakPolarHBondContact O-CB 3.38Å; A155-Q158 PolarHBondContact O-N 2.93Å; A155-I159 PolarHBondContact O-N 3.49Å; A155-W315 HydrophobicContact CB-CZ3 4.47Å; A155-L316 HydrophobicContact CB-CD1 3.52Å; A155-I319 HydrophobicContact CB-CD1 4.34Å; A155-I319 HydrophobicContact CB-CG2 4.16Å
156	L	98.6	Very high	98.2	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-65.7	-37.8	175.3	-63.6	177.5	0	0	0	112.2	L133 V136 Q137 V152 H153 L154 I159 K160 F177 L179 W315	L133-L156 HydrophobicContact CD2-CD2 4.41Å; V136-L156 HydrophobicContact CG1-CD1 3.86Å; Q137-L156 HydrophobicContact CG-CD1 4.43Å; V152-L156 HydrophobicContact CG1-CD1 4.18Å; V152-L156 HydrophobicContact CG1-CG 4.5Å; V152-L156 WeakPolarHBondContact O-CG 3.38Å; V152-L156 PolarHBondContact O-N 3.29Å; H153-L156 PolarHBondContact O-N 2.92Å; L154-L156 PolarHBondContact O-N 3.3Å; L156-I159 PolarHBondContact O-N 2.68Å; L156-K160 WeakPolarHBondContact O-CB 3.09Å; L156-K160 PolarHBondContact O-N 2.67Å; L156-F177 HydrophobicContact CB-CE2 4.09Å; L156-F177 HydrophobicContact CB-CZ 3.73Å; L156-L179 HydrophobicContact CB-CD1 4.23Å; L156-L179 HydrophobicContact CD2-CD1 3.71Å; L156-L179 HydrophobicContact CG-CD1 4.5Å; L156-W315 HydrophobicContact CD2-CH2 4.18Å; L156-W315 HydrophobicContact CD2-CZ2 4.48Å
157	L	98.7	Very high	98.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-65.8	-37	173.9	-80.7	173	0	0	0	112.4	A85 H153 L154 K160 G161 F172 P173 F177	A85-L157 HydrophobicContact CB-CB 4.25Å; H153-L157 VanDerWaalsContact NE2-CD1 3.32Å; H153-L157 WeakPolarHBondContact NE2-CD1 3.38Å; H153-L157 PolarHBondContact O-N 3.46Å; L154-L157 PolarHBondContact O-N 3.04Å; L157-K160 WeakPolarHBondContact O-CB 3.31Å; L157-K160 PolarHBondContact O-N 3.01Å; L157-G161 PolarHBondContact O-N 2.86Å; L157-F172 HydrophobicContact CD2-CE2 4.42Å; L157-P173 HydrophobicContact CD2-CG 3.64Å; L157-F177 HydrophobicContact CD2-CD1 4.04Å; L157-F177 HydrophobicContact CD2-CE1 3.49Å; L157-F177 VanDerWaalsContact CD2-CE1 3.49Å; L157-F177 HydrophobicContact CD2-CZ 3.87Å; L157-F177 HydrophobicContact CG-CE1 3.84Å; L157-F177 HydrophobicContact CG-CZ 3.96Å
158	Q	98.8	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-44.2	175.4	-170.8	-179.6	-6.3	0	0	111.4	A85 G89 L154 A155 K160 G161 L162 I275	A85-Q158 VanDerWaalsContact O-CA 3.27Å; A85-Q158 WeakPolarHBondContact O-CA 3.5Å; G89-Q158 WeakPolarHBondContact CA-O 3.32Å; L154-Q158 PolarHBondContact O-N 3.43Å; A155-Q158 WeakPolarHBondContact O-CB 3.38Å; A155-Q158 PolarHBondContact O-N 2.93Å; Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 2.96Å; Q158-G161 PolarHBondContact O-N 3.44Å; Q158-L162 WeakPolarHBondContact O-CB 3.47Å; Q158-L162 PolarHBondContact O-N 3.36Å; Q158-I275 HydrophobicContact CB-CD1 4.09Å; Q158-I275 HydrophobicContact CG-CD1 4.13Å; Q158-I275 HydrophobicContact CG-CG2 4.18Å
159	I	98.4	Very high	98	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-41.3	173.3	-62.6	170.4	0	0	0	111	A155 L156 G161 L162 E163 L179 F184 L185 Q188 I275 W315	A155-I159 PolarHBondContact O-N 3.49Å; L156-I159 PolarHBondContact O-N 2.68Å; I159-G161 VanDerWaalsContact C-N 3.35Å; I159-G161 PolarHBondContact O-N 2.92Å; I159-L162 WeakPolarHBondContact O-CB 3.26Å; I159-L162 PolarHBondContact O-N 3.18Å; I159-E163 PolarHBondContact O-N 2.92Å; I159-L179 HydrophobicContact CG2-CD2 4.14Å; I159-F184 HydrophobicContact CG2-CB 4.49Å; I159-L185 HydrophobicContact CD1-CD1 4.11Å; I159-Q188 HydrophobicContact CD1-CG 3.75Å; I159-Q188 HydrophobicContact CG1-CG 4.35Å; I159-I275 HydrophobicContact CD1-CD1 4.13Å; I159-I275 HydrophobicContact CG1-CD1 3.55Å; I159-I275 HydrophobicContact CG1-CG1 4.05Å; I159-W315 HydrophobicContact CD1-CH2 3.25Å; I159-W315 HydrophobicContact CD1-CZ2 3.95Å; I159-W315 HydrophobicContact CD1-CZ3 3.65Å
160	K	98.5	Very high	97.9	Very high	37 Å²	37	28.2 Å²	28.2	16%	0.161	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-43.3	178.8	-174	42.1	178	149.7	0	111.4	Y86 L156 L157 Q158 E163 D164 P173 F177 L179	Y86-K160 HydrophobicContact CD2-CB 4.32Å; Y86-K160 HydrophobicContact CD2-CG 4.29Å; Y86-K160 HydrophobicContact CE2-CB 4.35Å; Y86-K160 HydrophobicContact CE2-CG 3.96Å; L156-K160 WeakPolarHBondContact O-CB 3.09Å; L156-K160 PolarHBondContact O-N 2.67Å; L157-K160 WeakPolarHBondContact O-CB 3.31Å; L157-K160 PolarHBondContact O-N 3.01Å; Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 2.96Å; K160-E163 PolarHBondContact O-N 2.91Å; K160-D164 WeakPolarHBondContact CD-OD2 3.4Å; K160-D164 WeakPolarHBondContact CE-OD2 3.41Å; K160-D164 IonicContact NZ-OD1 2.74Å; K160-D164 PolarHBondContact NZ-OD1 3.05Å; K160-D164 IonicContact NZ-OD2 3.95Å; K160-D164 PolarHBondContact NZ-OD2 3.29Å; K160-D164 WeakPolarHBondContact O-CB 3.45Å; K160-D164 PolarHBondContact O-N 3.45Å; K160-P173 HydrophobicContact CG-CG 4.38Å; K160-F177 HydrophobicContact CB-CD2 4.12Å; K160-F177 HydrophobicContact CB-CE2 3.96Å; K160-F177 HydrophobicContact CD-CD2 4.36Å; K160-F177 HydrophobicContact CG-CD2 3.83Å; K160-F177 HydrophobicContact CG-CE2 4.19Å; K160-F177 HydrophobicContact CG-CG 4.36Å; K160-L179 HydrophobicContact CB-CD2 3.88Å; K160-L179 HydrophobicContact CD-CD2 4.26Å; K160-L179 HydrophobicContact CG-CD2 4.49Å
161	G	98.4	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-39.4	175.3	0	0	0	0	0	113.4	Y86 A90 L157 Q158 I159 S165	Y86-G161 VanDerWaalsContact CD2-CA 3.41Å; Y86-G161 VanDerWaalsContact CD2-N 3.35Å; Y86-G161 WeakPolarHBondContact O-CA 3.48Å; A90-G161 WeakPolarHBondContact CA-O 3.49Å; L157-G161 PolarHBondContact O-N 2.86Å; Q158-G161 PolarHBondContact O-N 3.44Å; I159-G161 VanDerWaalsContact C-N 3.35Å; I159-G161 PolarHBondContact O-N 2.92Å; G161-S165 VanDerWaalsContact O-CB 3.27Å; G161-S165 WeakPolarHBondContact O-CB 3.44Å; G161-S165 PolarHBondContact O-N 2.95Å
162	L	98.6	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-48.9	173.9	-173.1	87.3	0	0	0	111.4	G89 E92 A93 M100 Q158 I159 F166 F184 G273 I275	G89-L162 WeakPolarHBondContact O-CA 3.49Å; G89-L162 WeakPolarHBondContact O-CD1 3.49Å; E92-L162 HydrophobicContact CB-CD1 4.14Å; E92-L162 HydrophobicContact CG-CD1 3.88Å; A93-L162 HydrophobicContact CB-CD1 3.76Å; A93-L162 HydrophobicContact CB-CG 4.15Å; A93-L162 VanDerWaalsContact CB-O 3.26Å; A93-L162 WeakPolarHBondContact CB-O 3.48Å; M100-L162 HydrophobicContact CE-CD1 4.09Å; M100-L162 HydrophobicContact CE-CD2 3.96Å; M100-L162 HydrophobicContact CE-CG 3.86Å; M100-L162 HydrophobicContact SD-CD1 4.18Å; Q158-L162 WeakPolarHBondContact O-CB 3.47Å; Q158-L162 PolarHBondContact O-N 3.36Å; I159-L162 WeakPolarHBondContact O-CB 3.26Å; I159-L162 PolarHBondContact O-N 3.18Å; L162-F166 WeakPolarHBondContact O-CB 3.05Å; L162-F166 PolarHBondContact O-N 2.84Å; L162-F166 VanDerWaalsContact O-N 3.17Å; L162-F184 HydrophobicContact CD2-CD2 3.93Å; L162-F184 HydrophobicContact CG-CD2 4.15Å; L162-G273 VanDerWaalsContact CD2-O 3.23Å; L162-G273 WeakPolarHBondContact CD2-O 3.14Å; L162-I275 HydrophobicContact CD2-CG2 4.21Å
163	E	98	Very high	97.3	Very high	5 Å²	5	38 Å²	38	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-44.7	179.4	-169.6	171.3	-120.7	0	0	111.9	I159 K160 F166 Y167 F184	I159-E163 PolarHBondContact O-N 2.92Å; K160-E163 PolarHBondContact O-N 2.91Å; E163-F166 PolarHBondContact O-N 3.42Å; E163-Y167 HydrophobicContact CG-CD2 4Å; E163-Y167 HydrophobicContact CG-CE2 3.84Å; E163-Y167 WeakPolarHBondContact O-CD2 3.41Å; E163-Y167 PolarHBondContact O-N 3.28Å; E163-F184 VanDerWaalsContact CA-CD2 3.47Å; E163-F184 HydrophobicContact CB-CB 4.38Å; E163-F184 HydrophobicContact CB-CD2 3.76Å; E163-F184 HydrophobicContact CB-CE2 4.38Å; E163-F184 HydrophobicContact CB-CG 4.25Å; E163-F184 HydrophobicContact CG-CD2 4.1Å; E163-F184 HydrophobicContact CG-CG 4.27Å; E163-F184 PolarHBondContact OE1-N 3.1Å
164	D	97.9	Very high	96.7	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.043	20%	0.199	C	C	.	.	H	α-helix	trans	-67	-41	-178.9	-73	-13.9	0	0	0	112.7	Y86 K160 F166 Y167 D168 Q169 L170	Y86-D164 HydrophobicContact CE2-CB 4.43Å; Y86-D164 WeakPolarHBondContact CE2-OD2 3.38Å; Y86-D164 VanDerWaalsContact OH-CB 3.23Å; Y86-D164 WeakPolarHBondContact OH-CB 3.39Å; Y86-D164 PolarHBondContact OH-OD2 3.11Å; K160-D164 WeakPolarHBondContact CD-OD2 3.4Å; K160-D164 WeakPolarHBondContact CE-OD2 3.41Å; K160-D164 IonicContact NZ-OD1 2.74Å; K160-D164 PolarHBondContact NZ-OD1 3.05Å; K160-D164 IonicContact NZ-OD2 3.95Å; K160-D164 PolarHBondContact NZ-OD2 3.29Å; K160-D164 WeakPolarHBondContact O-CB 3.45Å; K160-D164 PolarHBondContact O-N 3.45Å; D164-F166 VanDerWaalsContact C-N 3.34Å; D164-Y167 PolarHBondContact O-N 3.14Å; D164-D168 PolarHBondContact O-N 2.85Å; D164-Q169 PolarHBondContact O-N 3.04Å; D164-L170 HydrophobicContact CB-CD2 4.09Å
165	S	98.1	Very high	96.1	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-67.9	-36.3	178	-166.1	0	0	0	0	112.1	A90 G161 Y167 D168	A90-S165 WeakPolarHBondContact O-CB 3.44Å; A90-S165 PolarHBondContact O-OG 2.84Å; A90-S165 VanDerWaalsContact O-OG 3.09Å; G161-S165 VanDerWaalsContact O-CB 3.27Å; G161-S165 WeakPolarHBondContact O-CB 3.44Å; G161-S165 PolarHBondContact O-N 2.95Å; S165-Y167 PolarHBondContact O-N 2.94Å; S165-D168 PolarHBondContact O-N 2.82Å
166	F	97.9	Very high	95.7	Very high	49 Å²	49	50.4 Å²	50.4	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-30.7	177.1	-178.5	-85.3	0	0	0	112.6	A93 S97 M100 S101 L162 E163 D164 F184	A93-F166 HydrophobicContact CB-CB 4.38Å; S97-F166 WeakPolarHBondContact O-CE2 3.42Å; M100-F166 HydrophobicContact CB-CD2 4.37Å; M100-F166 HydrophobicContact CB-CE2 4.02Å; M100-F166 HydrophobicContact CE-CD2 3.93Å; M100-F166 HydrophobicContact SD-CD2 4.24Å; S101-F166 WeakPolarHBondContact OG-CE2 3.34Å; S101-F166 VanDerWaalsContact OG-CZ 3.32Å; S101-F166 WeakPolarHBondContact OG-CZ 3.33Å; L162-F166 WeakPolarHBondContact O-CB 3.05Å; L162-F166 PolarHBondContact O-N 2.84Å; L162-F166 VanDerWaalsContact O-N 3.17Å; E163-F166 PolarHBondContact O-N 3.42Å; D164-F166 VanDerWaalsContact C-N 3.34Å; F166-F184 HydrophobicContact CB-CE2 3.54Å; F166-F184 HydrophobicContact CB-CZ 3.8Å; F166-F184 HydrophobicContact CD1-CE1 4.45Å; F166-F184 HydrophobicContact CD1-CE2 4.16Å; F166-F184 AromaticContact CD1-CZ 3.51Å; F166-F184 HydrophobicContact CD1-CZ 3.51Å; F166-F184 HydrophobicContact CD2-CE2 4.09Å; F166-F184 AromaticContact CD2-CZ 3.7Å; F166-F184 HydrophobicContact CD2-CZ 3.7Å; F166-F184 AromaticContact CE1-CZ 3.94Å; F166-F184 HydrophobicContact CE1-CZ 3.94Å; F166-F184 HydrophobicContact CE2-CZ 4.09Å; F166-F184 AromaticContact CG-CE2 3.68Å; F166-F184 HydrophobicContact CG-CE2 3.68Å; F166-F184 AromaticContact CG-CZ 3.38Å; F166-F184 HydrophobicContact CG-CZ 3.38Å; F166-F184 HydrophobicContact CZ-CZ 4.21Å
167	Y	96.9	Very high	95.5	Very high	99 Å²	99	50.9 Å²	50.9	39%	0.388	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	10.9	178.7	-68.1	-61	0	0	0	113.9	E163 D164 S165 Q169	E163-Y167 HydrophobicContact CG-CD2 4Å; E163-Y167 HydrophobicContact CG-CE2 3.84Å; E163-Y167 WeakPolarHBondContact O-CD2 3.41Å; E163-Y167 PolarHBondContact O-N 3.28Å; D164-Y167 PolarHBondContact O-N 3.14Å; S165-Y167 PolarHBondContact O-N 2.94Å; Y167-Q169 WeakPolarHBondContact O-CG 3.03Å; Y167-Q169 PolarHBondContact O-N 3.48Å
168	D	95.2	Very high	95.1	Very high	152 Å²	152	57 Å²	57	81%	0.813	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	39.1	-175.7	-60.3	-50	0	0	0	113.3	D164 S165	D164-D168 PolarHBondContact O-N 2.85Å; S165-D168 PolarHBondContact O-N 2.82Å
169	Q	95.3	Very high	94.9	Very high	122 Å²	122	57.6 Å²	57.6	57%	0.57	28%	0.283	S	S	*	.			trans	-124.2	32.8	-172.9	-77.1	171.5	17.5	0	0	112.5	D164 Y167 Y171	D164-Q169 PolarHBondContact O-N 3.04Å; Y167-Q169 WeakPolarHBondContact O-CG 3.03Å; Y167-Q169 PolarHBondContact O-N 3.48Å; Q169-Y171 PolarHBondContact O-N 2.66Å
170	L	95.9	Very high	94.7	Very high	37 Å²	37	62.5 Å²	62.5	19%	0.194	30%	0.304	C	S	.	.			trans	-55.7	116.9	-179.6	-73.1	178.9	0	0	0	111.8	I45 Y86 A90 D164	I45-L170 HydrophobicContact CD1-CD1 4.12Å; I45-L170 HydrophobicContact CG1-CD1 3.66Å; Y86-L170 HydrophobicContact CE1-CD2 3.82Å; A90-L170 HydrophobicContact CB-CD1 4.35Å; A90-L170 HydrophobicContact CB-CD2 3.71Å; D164-L170 HydrophobicContact CB-CD2 4.09Å
171	Y	94.5	Very high	94.5	Very high	160 Å²	160	61.9 Å²	61.9	63%	0.627	31%	0.305	S	S	*	.			trans	-153.6	99.9	175.7	-175.8	-97.4	0	0	0	108.7	Y86 Q169 P173	Y86-Y171 PolarHBondContact OH-N 3.07Å; Y86-Y171 PolarHBondContact OH-O 3Å; Q169-Y171 PolarHBondContact O-N 2.66Å; Y171-P173 WeakPolarHBondContact O-CD 3.41Å
172	F	95.9	Very high	94.2	Very high	48 Å²	48	64.2 Å²	64.2	21%	0.211	32%	0.317	C	S	.	.			trans	-62	119.8	-177.3	176.9	-109	0	0	0	110.9	I83 Y86 L157 T174	I83-F172 HydrophobicContact CB-CD2 4.39Å; I83-F172 HydrophobicContact CB-CE1 4.47Å; I83-F172 HydrophobicContact CB-CE2 4.02Å; I83-F172 HydrophobicContact CB-CZ 4.06Å; I83-F172 HydrophobicContact CD1-CD1 4.35Å; I83-F172 HydrophobicContact CD1-CG 4.36Å; I83-F172 HydrophobicContact CG1-CD2 4.14Å; I83-F172 HydrophobicContact CG1-CE2 4.28Å; I83-F172 HydrophobicContact CG1-CG 4.31Å; Y86-F172 HydrophobicContact CD1-CB 4.23Å; Y86-F172 AromaticContact CD1-CD2 3.83Å; Y86-F172 HydrophobicContact CD1-CD2 3.83Å; Y86-F172 HydrophobicContact CD2-CD2 4.37Å; Y86-F172 HydrophobicContact CE1-CB 4.22Å; Y86-F172 AromaticContact CG-CD2 3.73Å; Y86-F172 HydrophobicContact CG-CD2 3.73Å; Y86-F172 HydrophobicContact CG-CE2 4.4Å; L157-F172 HydrophobicContact CD2-CE2 4.42Å; F172-T174 HydrophobicContact CD1-CG2 4.38Å; F172-T174 PolarHBondContact O-N 3Å
173	P	93.3	Very high	94	Very high	18 Å²	18	64.6 Å²	64.6	12%	0.117	32%	0.321	C	S	.	.			trans	-75.4	123.6	-179.7	29.8	-33.3	0	0	0	110.8	L157 K160 Y171 F177	L157-P173 HydrophobicContact CD2-CG 3.64Å; K160-P173 HydrophobicContact CG-CG 4.38Å; Y171-P173 WeakPolarHBondContact O-CD 3.41Å; P173-F177 HydrophobicContact CB-CB 3.75Å; P173-F177 HydrophobicContact CB-CD1 4.15Å; P173-F177 HydrophobicContact CB-CG 4.25Å; P173-F177 HydrophobicContact CG-CB 4.01Å; P173-F177 HydrophobicContact CG-CD1 3.85Å; P173-F177 HydrophobicContact CG-CG 4.03Å
174	T	85.5	Confident	93.9	Very high	118 Å²	118	64.7 Å²	64.7	72%	0.724	32%	0.321	S	S	*	.	S	Bend	trans	-89.6	-10.2	175	53.9	0	0	0	0	113.4	F172	F172-T174 HydrophobicContact CD1-CG2 4.38Å; F172-T174 PolarHBondContact O-N 3Å
175	T	85.7	Confident	93.8	Very high	109 Å²	109	64.5 Å²	64.5	67%	0.669	32%	0.32	S	S	*	.	S	Bend	trans	-130.9	-172.8	178	61.8	0	0	0	0	109.8	F177	T175-F177 PolarHBondContact O-N 3.41Å
176	R	89.9	Confident	93.8	Very high	83 Å²	83	64.2 Å²	64.2	31%	0.313	32%	0.317	S	S	.	.			trans	-43.7	136.1	168.1	-165.1	-179.7	-170	134.9	4.3	111.9	Q134 D138 E141	Q134-R176 PolarHBondContact O-NH2 3.3Å; Q134-R176 VanDerWaalsContact O-NH2 3.16Å; Q134-R176 VanDerWaalsContact OE1-NH2 3.07Å; D138-R176 IonicContact OD1-CZ 3.13Å; D138-R176 VanDerWaalsContact OD1-CZ 3.24Å; D138-R176 IonicContact OD1-NH1 2.79Å; D138-R176 PolarHBondContact OD1-NH1 3.35Å; D138-R176 IonicContact OD1-NH2 3.51Å; D138-R176 PolarHBondContact OD1-NH2 3.38Å; E141-R176 WeakPolarHBondContact OE1-CB 3.42Å; E141-R176 VanDerWaalsContact OE1-CD 3.26Å; E141-R176 WeakPolarHBondContact OE1-CD 3.37Å; E141-R176 WeakPolarHBondContact OE1-CG 3.32Å; E141-R176 IonicContact OE1-CZ 3.61Å; E141-R176 IonicContact OE1-NE 3.48Å; E141-R176 IonicContact OE1-NH1 3.57Å; E141-R176 PolarHBondContact OE1-NH1 3.47Å; E141-R176 IonicContact OE2-NH1 3.54Å; E141-R176 PolarHBondContact OE2-NH1 2.94Å
177	F	93.8	Very high	93.7	Very high	13 Å²	13	62.4 Å²	62.4	6%	0.057	31%	0.31	C	S	.	.			trans	-129.7	155.8	-177.7	59.6	-90.3	0	0	0	111.5	Q137 H153 L156 L157 K160 P173 T175 L179	Q137-F177 PolarHBondContact NE2-O 2.93Å; Q137-F177 PolarHBondContact OE1-O 3.43Å; H153-F177 AromaticContact CE1-CE1 3.9Å; L156-F177 HydrophobicContact CB-CE2 4.09Å; L156-F177 HydrophobicContact CB-CZ 3.73Å; L157-F177 HydrophobicContact CD2-CD1 4.04Å; L157-F177 HydrophobicContact CD2-CE1 3.49Å; L157-F177 VanDerWaalsContact CD2-CE1 3.49Å; L157-F177 HydrophobicContact CD2-CZ 3.87Å; L157-F177 HydrophobicContact CG-CE1 3.84Å; L157-F177 HydrophobicContact CG-CZ 3.96Å; K160-F177 HydrophobicContact CB-CD2 4.12Å; K160-F177 HydrophobicContact CB-CE2 3.96Å; K160-F177 HydrophobicContact CD-CD2 4.36Å; K160-F177 HydrophobicContact CG-CD2 3.83Å; K160-F177 HydrophobicContact CG-CE2 4.19Å; K160-F177 HydrophobicContact CG-CG 4.36Å; P173-F177 HydrophobicContact CB-CB 3.75Å; P173-F177 HydrophobicContact CB-CD1 4.15Å; P173-F177 HydrophobicContact CB-CG 4.25Å; P173-F177 HydrophobicContact CG-CB 4.01Å; P173-F177 HydrophobicContact CG-CD1 3.85Å; P173-F177 HydrophobicContact CG-CG 4.03Å; T175-F177 PolarHBondContact O-N 3.41Å; F177-L179 HydrophobicContact CD2-CD2 4.32Å; F177-L179 HydrophobicContact CD2-CG 4.23Å; F177-L179 HydrophobicContact CE2-CD1 4.3Å; F177-L179 HydrophobicContact CE2-CD2 4.09Å; F177-L179 HydrophobicContact CE2-CG 3.96Å
178	N	91.4	Very high	93.8	Very high	129 Å²	129	57.7 Å²	57.7	69%	0.69	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-99.9	134.6	178.4	-64.3	-40.3	0	0	0	110.1
179	L	94.2	Very high	93.8	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.068	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-102.8	139.8	165.7	-68.6	175.4	0	0	0	108.6	L133 L156 I159 K160 F177 P181	L133-L179 HydrophobicContact CD1-CB 4.16Å; L133-L179 HydrophobicContact CD2-CD1 4.19Å; L156-L179 HydrophobicContact CB-CD1 4.23Å; L156-L179 HydrophobicContact CD2-CD1 3.71Å; L156-L179 HydrophobicContact CG-CD1 4.5Å; I159-L179 HydrophobicContact CG2-CD2 4.14Å; K160-L179 HydrophobicContact CB-CD2 3.88Å; K160-L179 HydrophobicContact CD-CD2 4.26Å; K160-L179 HydrophobicContact CG-CD2 4.49Å; F177-L179 HydrophobicContact CD2-CD2 4.32Å; F177-L179 HydrophobicContact CD2-CG 4.23Å; F177-L179 HydrophobicContact CE2-CD1 4.3Å; F177-L179 HydrophobicContact CE2-CD2 4.09Å; F177-L179 HydrophobicContact CE2-CG 3.96Å; L179-P181 VanDerWaalsContact O-CD 3.28Å; L179-P181 WeakPolarHBondContact O-CD 3.29Å
180	K	93.5	Very high	93.6	Very high	103 Å²	103	46.8 Å²	46.8	45%	0.448	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-72.7	118.2	176.4	-65.7	177.1	-169.6	162.2	0	109	L182 G183	K180-L182 PolarHBondContact O-N 2.89Å; K180-L182 VanDerWaalsContact O-N 3.16Å; K180-G183 PolarHBondContact O-N 3.34Å
181	P	93.6	Very high	93.4	Very high	25 Å²	25	45.4 Å²	45.4	16%	0.162	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.8	-176.5	-28.2	35.5	0	0	0	114.3	K126 I129 S130 L179	K126-P181 HydrophobicContact CG-CB 4.28Å; K126-P181 HydrophobicContact CG-CG 4.5Å; I129-P181 HydrophobicContact CB-CB 4.01Å; I129-P181 HydrophobicContact CG2-CB 3.65Å; S130-P181 WeakPolarHBondContact OG-CG 3.41Å; L179-P181 VanDerWaalsContact O-CD 3.28Å; L179-P181 WeakPolarHBondContact O-CD 3.29Å
182	L	93.6	Very high	93.5	Very high	49 Å²	49	37.9 Å²	37.9	26%	0.257	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	22.1	178.5	-55.2	-179.2	0	0	0	112	C112 L125 K126 I129 K180 L186	C112-L182 HydrophobicContact CB-CD1 4.16Å; L125-L182 HydrophobicContact CD2-CD2 4.17Å; K126-L182 HydrophobicContact CB-CD1 4.32Å; K126-L182 HydrophobicContact CB-CG 4.49Å; I129-L182 HydrophobicContact CD1-CD2 4.3Å; K180-L182 PolarHBondContact O-N 2.89Å; K180-L182 VanDerWaalsContact O-N 3.16Å; L182-L186 HydrophobicContact CB-CD1 4.12Å; L182-L186 HydrophobicContact CD2-CD1 4.32Å; L182-L186 HydrophobicContact CD2-CD2 4.14Å
183	G	93.5	Very high	93.5	Very high	8 Å²	8	36 Å²	36	8%	0.082	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-138.4	172.3	0	0	0	0	0	111.1	K180 L185 L186	K180-G183 PolarHBondContact O-N 3.34Å; G183-L185 PolarHBondContact O-N 2.92Å; G183-L186 WeakPolarHBondContact O-CB 3.24Å; G183-L186 PolarHBondContact O-N 3.25Å
184	F	96.4	Very high	93.4	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.031	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-67.6	-6.9	-178.3	-73.7	2.1	0	0	0	115.2	M100 W104 I159 L162 E163 F166 L186 F187 Q188	M100-F184 HydrophobicContact CE-CD2 3.83Å; M100-F184 HydrophobicContact CE-CE2 3.22Å; M100-F184 HydrophobicContact CE-CZ 3.63Å; W104-F184 HydrophobicContact CZ3-CD1 4.3Å; I159-F184 HydrophobicContact CG2-CB 4.49Å; L162-F184 HydrophobicContact CD2-CD2 3.93Å; L162-F184 HydrophobicContact CG-CD2 4.15Å; E163-F184 VanDerWaalsContact CA-CD2 3.47Å; E163-F184 HydrophobicContact CB-CB 4.38Å; E163-F184 HydrophobicContact CB-CD2 3.76Å; E163-F184 HydrophobicContact CB-CE2 4.38Å; E163-F184 HydrophobicContact CB-CG 4.25Å; E163-F184 HydrophobicContact CG-CD2 4.1Å; E163-F184 HydrophobicContact CG-CG 4.27Å; E163-F184 PolarHBondContact OE1-N 3.1Å; F166-F184 HydrophobicContact CB-CE2 3.54Å; F166-F184 HydrophobicContact CB-CZ 3.8Å; F166-F184 HydrophobicContact CD1-CE1 4.45Å; F166-F184 HydrophobicContact CD1-CE2 4.16Å; F166-F184 AromaticContact CD1-CZ 3.51Å; F166-F184 HydrophobicContact CD1-CZ 3.51Å; F166-F184 HydrophobicContact CD2-CE2 4.09Å; F166-F184 AromaticContact CD2-CZ 3.7Å; F166-F184 HydrophobicContact CD2-CZ 3.7Å; F166-F184 AromaticContact CE1-CZ 3.94Å; F166-F184 HydrophobicContact CE1-CZ 3.94Å; F166-F184 HydrophobicContact CE2-CZ 4.09Å; F166-F184 AromaticContact CG-CE2 3.68Å; F166-F184 HydrophobicContact CG-CE2 3.68Å; F166-F184 AromaticContact CG-CZ 3.38Å; F166-F184 HydrophobicContact CG-CZ 3.38Å; F166-F184 HydrophobicContact CZ-CZ 4.21Å; F184-L186 PolarHBondContact O-N 2.71Å; F184-F187 HydrophobicContact CB-CD2 4.07Å; F184-F187 AromaticContact CD1-CD2 3.86Å; F184-F187 HydrophobicContact CD1-CD2 3.86Å; F184-F187 AromaticContact CD1-CE2 3.57Å; F184-F187 HydrophobicContact CD1-CE2 3.57Å; F184-F187 HydrophobicContact CE1-CD2 4.47Å; F184-F187 AromaticContact CE1-CE2 3.73Å; F184-F187 HydrophobicContact CE1-CE2 3.73Å; F184-F187 AromaticContact CG-CD2 3.97Å; F184-F187 HydrophobicContact CG-CD2 3.97Å; F184-F187 HydrophobicContact CG-CE2 4.02Å; F184-F187 HydrophobicContact CZ-CE2 4.3Å; F184-F187 WeakPolarHBondContact O-CB 3.46Å; F184-F187 PolarHBondContact O-N 2.85Å; F184-Q188 PolarHBondContact O-NE2 3.39Å; F184-Q188 VanDerWaalsContact O-NE2 3.11Å
185	L	96.4	Very high	93.8	Very high	3 Å²	3	32 Å²	32	2%	0.016	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-61.5	-30.6	167.1	-168.2	63.4	0	0	0	111.9	I129 L133 I159 G183 F187 Q188 M189 W315	I129-L185 HydrophobicContact CG2-CD2 3.49Å; I129-L185 VanDerWaalsContact CG2-CD2 3.49Å; L133-L185 HydrophobicContact CD1-CD2 3.82Å; L133-L185 HydrophobicContact CD2-CD2 3.99Å; L133-L185 HydrophobicContact CG-CD2 4.16Å; I159-L185 HydrophobicContact CD1-CD1 4.11Å; G183-L185 PolarHBondContact O-N 2.92Å; L185-F187 VanDerWaalsContact C-N 3.28Å; L185-F187 PolarHBondContact O-N 2.83Å; L185-Q188 HydrophobicContact CD1-CG 4.45Å; L185-Q188 WeakPolarHBondContact O-CB 3.34Å; L185-Q188 PolarHBondContact O-N 2.64Å; L185-M189 HydrophobicContact CD2-SD 3.95Å; L185-M189 HydrophobicContact CG-CG 4.14Å; L185-M189 HydrophobicContact CG-SD 3.76Å; L185-M189 WeakPolarHBondContact O-CG 3.48Å; L185-M189 PolarHBondContact O-N 2.71Å; L185-W315 HydrophobicContact CD1-CH2 4.44Å; L185-W315 HydrophobicContact CD1-CZ2 3.65Å
186	L	96.3	Very high	94.3	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-64.2	-29.5	177.8	-68.5	179.3	0	0	0	113.3	W104 L108 L182 G183 F184 Q188 M189 L193	W104-L186 HydrophobicContact CH2-CB 4.4Å; W104-L186 HydrophobicContact CH2-CD1 4.04Å; W104-L186 HydrophobicContact CZ3-CB 4.3Å; L108-L186 HydrophobicContact CD1-CB 3.83Å; L108-L186 HydrophobicContact CD2-CB 4.11Å; L182-L186 HydrophobicContact CB-CD1 4.12Å; L182-L186 HydrophobicContact CD2-CD1 4.32Å; L182-L186 HydrophobicContact CD2-CD2 4.14Å; G183-L186 WeakPolarHBondContact O-CB 3.24Å; G183-L186 PolarHBondContact O-N 3.25Å; F184-L186 PolarHBondContact O-N 2.71Å; L186-Q188 PolarHBondContact O-N 2.95Å; L186-M189 PolarHBondContact O-N 2.87Å; L186-L193 HydrophobicContact CD2-CD1 4.14Å
187	F	97.3	Very high	94.5	Very high	11 Å²	11	23 Å²	23	5%	0.048	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-62.3	-24.9	171	-73.8	-56.4	0	0	0	112.8	M100 H103 W104 L108 F184 L185 S274	M100-F187 HydrophobicContact CE-CE2 4.28Å; H103-F187 AromaticContact CD2-CD1 3.99Å; H103-F187 AromaticContact CD2-CE1 3.72Å; W104-F187 HydrophobicContact CB-CE1 4.21Å; W104-F187 HydrophobicContact CB-CZ 3.89Å; W104-F187 HydrophobicContact CD2-CZ 4.34Å; W104-F187 HydrophobicContact CE3-CD1 4.41Å; W104-F187 HydrophobicContact CE3-CD2 4.27Å; W104-F187 AromaticContact CE3-CE1 3.87Å; W104-F187 HydrophobicContact CE3-CE1 3.87Å; W104-F187 AromaticContact CE3-CE2 3.74Å; W104-F187 HydrophobicContact CE3-CE2 3.74Å; W104-F187 AromaticContact CE3-CZ 3.54Å; W104-F187 HydrophobicContact CE3-CZ 3.54Å; W104-F187 HydrophobicContact CZ3-CD2 4.42Å; W104-F187 HydrophobicContact CZ3-CE2 4.26Å; W104-F187 HydrophobicContact CZ3-CZ 4.45Å; L108-F187 HydrophobicContact CD1-CD1 3.56Å; L108-F187 HydrophobicContact CD1-CE1 3.93Å; L108-F187 HydrophobicContact CD1-CG 4.09Å; F184-F187 HydrophobicContact CB-CD2 4.07Å; F184-F187 AromaticContact CD1-CD2 3.86Å; F184-F187 HydrophobicContact CD1-CD2 3.86Å; F184-F187 AromaticContact CD1-CE2 3.57Å; F184-F187 HydrophobicContact CD1-CE2 3.57Å; F184-F187 HydrophobicContact CE1-CD2 4.47Å; F184-F187 AromaticContact CE1-CE2 3.73Å; F184-F187 HydrophobicContact CE1-CE2 3.73Å; F184-F187 AromaticContact CG-CD2 3.97Å; F184-F187 HydrophobicContact CG-CD2 3.97Å; F184-F187 HydrophobicContact CG-CE2 4.02Å; F184-F187 HydrophobicContact CZ-CE2 4.3Å; F184-F187 WeakPolarHBondContact O-CB 3.46Å; F184-F187 PolarHBondContact O-N 2.85Å; L185-F187 VanDerWaalsContact C-N 3.28Å; L185-F187 PolarHBondContact O-N 2.83Å; F187-S274 PolarHBondContact O-OG 3.09Å
188	Q	97.9	Very high	94.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-26.9	-178	-37.2	-46.7	-44.3	0	0	111.8	I159 F184 L185 L186 G273 S274 F276 W315	I159-Q188 HydrophobicContact CD1-CG 3.75Å; I159-Q188 HydrophobicContact CG1-CG 4.35Å; F184-Q188 PolarHBondContact O-NE2 3.39Å; F184-Q188 VanDerWaalsContact O-NE2 3.11Å; L185-Q188 HydrophobicContact CD1-CG 4.45Å; L185-Q188 WeakPolarHBondContact O-CB 3.34Å; L185-Q188 PolarHBondContact O-N 2.64Å; L186-Q188 PolarHBondContact O-N 2.95Å; Q188-G273 PolarHBondContact NE2-O 2.69Å; Q188-S274 VanDerWaalsContact OE1-CA 3.31Å; Q188-F276 HydrophobicContact CB-CE1 4.39Å; Q188-F276 VanDerWaalsContact O-CE1 3.26Å; Q188-F276 WeakPolarHBondContact O-CE1 3.36Å; Q188-F276 WeakPolarHBondContact O-CZ 3.38Å; Q188-W315 HydrophobicContact CB-CD2 3.7Å; Q188-W315 HydrophobicContact CB-CE3 4.03Å; Q188-W315 HydrophobicContact CB-CG 3.9Å; Q188-W315 HydrophobicContact CG-CE3 4.47Å; Q188-W315 WeakPolarHBondContact O-CB 3.35Å
189	M	95.3	Very high	94.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.109	C	C	.	.			trans	-92.5	7.8	-168.8	-67.6	-175.6	61.2	0	0	114.2	I129 L185 L186 G191 D192 L193 L196 M313	I129-M189 HydrophobicContact CD1-CE 3.75Å; I129-M189 HydrophobicContact CD1-SD 3.74Å; I129-M189 HydrophobicContact CG1-CE 3.81Å; I129-M189 HydrophobicContact CG1-SD 4.07Å; I129-M189 HydrophobicContact CG2-SD 4.47Å; L185-M189 HydrophobicContact CD2-SD 3.95Å; L185-M189 HydrophobicContact CG-CG 4.14Å; L185-M189 HydrophobicContact CG-SD 3.76Å; L185-M189 WeakPolarHBondContact O-CG 3.48Å; L185-M189 PolarHBondContact O-N 2.71Å; L186-M189 PolarHBondContact O-N 2.87Å; M189-G191 VanDerWaalsContact C-N 3.31Å; M189-G191 PolarHBondContact O-N 3.27Å; M189-D192 HydrophobicContact CB-CB 4.48Å; M189-D192 PolarHBondContact O-N 2.5Å; M189-L193 HydrophobicContact CB-CD1 4.25Å; M189-L193 HydrophobicContact CB-CG 4.01Å; M189-L193 HydrophobicContact CE-CD2 4.21Å; M189-L193 WeakPolarHBondContact O-CB 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.35Å; M189-L193 PolarHBondContact O-N 3.46Å; M189-L196 HydrophobicContact CE-CD1 3.59Å; M189-M313 HydrophobicContact CE-CE 3.55Å; M189-M313 HydrophobicContact CE-SD 3.45Å; M189-M313 WeakPolarHBondContact CE-SD 3.25Å; M189-M313 HydrophobicContact CG-SD 4.1Å; M189-M313 HydrophobicContact SD-CE 4.21Å; M189-M313 HydrophobicContact SD-SD 3.77Å
190	G	91	Very high	94.6	Very high	46 Å²	46	18.7 Å²	18.7	47%	0.474	11%	0.11	S	C	.	.	H	α-helix	trans	-47.4	-51.1	-174.9	0	0	0	0	0	113.5
191	G	92.4	Very high	94.5	Very high	8 Å²	8	19.9 Å²	19.9	8%	0.082	12%	0.122	C	C	.	.	H	α-helix	trans	-69.5	-42.9	176	0	0	0	0	0	114.2	M189 L193 E194	M189-G191 VanDerWaalsContact C-N 3.31Å; M189-G191 PolarHBondContact O-N 3.27Å; G191-L193 VanDerWaalsContact C-N 3.25Å; G191-L193 PolarHBondContact O-N 2.95Å; G191-E194 WeakPolarHBondContact O-CB 3.42Å; G191-E194 PolarHBondContact O-N 2.92Å
192	D	96.6	Very high	94.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-34	178	-72.5	-82.7	0	0	0	112.3	M189 E194 D195 L196 E314 T342	M189-D192 HydrophobicContact CB-CB 4.48Å; M189-D192 PolarHBondContact O-N 2.5Å; D192-E194 VanDerWaalsContact C-N 3.26Å; D192-E194 PolarHBondContact O-N 2.91Å; D192-D195 PolarHBondContact O-N 2.87Å; D192-L196 HydrophobicContact CB-CD1 4.42Å; D192-L196 WeakPolarHBondContact O-CG 3.42Å; D192-L196 PolarHBondContact O-N 3.03Å; D192-E314 PolarHBondContact OD1-N 2.92Å; D192-E314 PolarHBondContact OD2-N 2.81Å; D192-T342 WeakPolarHBondContact OD1-CB 3.33Å; D192-T342 PolarHBondContact OD1-OG1 3.09Å
193	L	95.1	Very high	94	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-63.6	-31.1	179.3	-72.9	172.1	0	0	0	112.1	Y111 L125 L186 M189 G191 D195 L196 E197	Y111-L193 HydrophobicContact CE1-CD1 3.91Å; Y111-L193 HydrophobicContact CE1-CD2 4.1Å; L125-L193 HydrophobicContact CD1-CD2 3.8Å; L125-L193 HydrophobicContact CD2-CD2 3.88Å; L125-L193 HydrophobicContact CG-CD2 4.47Å; L186-L193 HydrophobicContact CD2-CD1 4.14Å; M189-L193 HydrophobicContact CB-CD1 4.25Å; M189-L193 HydrophobicContact CB-CG 4.01Å; M189-L193 HydrophobicContact CE-CD2 4.21Å; M189-L193 WeakPolarHBondContact O-CB 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.35Å; M189-L193 PolarHBondContact O-N 3.46Å; G191-L193 VanDerWaalsContact C-N 3.25Å; G191-L193 PolarHBondContact O-N 2.95Å; L193-D195 VanDerWaalsContact C-N 3.26Å; L193-D195 PolarHBondContact O-N 3.2Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 PolarHBondContact O-N 2.96Å; L193-E197 WeakPolarHBondContact O-CB 3.41Å; L193-E197 VanDerWaalsContact O-CG 3.25Å; L193-E197 WeakPolarHBondContact O-CG 3.4Å; L193-E197 PolarHBondContact O-N 3.48Å
194	E	91.3	Very high	93.5	Very high	48 Å²	48	26.1 Å²	26.1	22%	0.224	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-41.8	177.5	-60.2	-168.6	164.3	0	0	112.4	G191 D192 R207	G191-E194 WeakPolarHBondContact O-CB 3.42Å; G191-E194 PolarHBondContact O-N 2.92Å; D192-E194 VanDerWaalsContact C-N 3.26Å; D192-E194 PolarHBondContact O-N 2.91Å; E194-R207 HydrophobicContact CB-CB 4.49Å; E194-R207 VanDerWaalsContact OE2-CD 3.24Å; E194-R207 WeakPolarHBondContact OE2-CD 3.35Å; E194-R207 IonicContact OE2-CZ 3.23Å; E194-R207 IonicContact OE2-NE 2.7Å; E194-R207 IonicContact OE2-NH1 3.54Å; E194-R207 PolarHBondContact OE2-NH1 2.9Å
195	D	93.6	Very high	92.7	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-83.1	-39.9	177.9	-68	-52.2	0	0	0	111	D192 L193 E197 S198 V199 W303 T342 Y343 N344	D192-D195 PolarHBondContact O-N 2.87Å; L193-D195 VanDerWaalsContact C-N 3.26Å; L193-D195 PolarHBondContact O-N 3.2Å; D195-E197 VanDerWaalsContact C-N 3.31Å; D195-E197 PolarHBondContact O-N 2.85Å; D195-S198 WeakPolarHBondContact O-CA 3.46Å; D195-S198 WeakPolarHBondContact O-CB 3.37Å; D195-S198 PolarHBondContact O-N 3.34Å; D195-V199 WeakPolarHBondContact O-CG2 3.35Å; D195-V199 PolarHBondContact O-N 2.76Å; D195-W303 HydrophobicContact CB-CH2 4.17Å; D195-W303 HydrophobicContact CB-CZ3 4.04Å; D195-W303 VanDerWaalsContact OD1-CH2 3.24Å; D195-W303 WeakPolarHBondContact OD1-CH2 3.49Å; D195-T342 HydrophobicContact CB-CG2 4.12Å; D195-T342 WeakPolarHBondContact OD2-CA 3.39Å; D195-Y343 WeakPolarHBondContact OD2-CA 3.08Å; D195-Y343 PolarHBondContact OD2-N 3.46Å; D195-N344 VanDerWaalsContact CG-ND2 3.26Å; D195-N344 PolarHBondContact OD1-ND2 2.6Å; D195-N344 PolarHBondContact OD2-N 2.88Å; D195-N344 PolarHBondContact OD2-ND2 3.18Å
196	L	96.2	Very high	91.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-32.7	-179.8	-71.8	172.6	0	0	0	113.3	L125 F128 M189 D192 L193 S198 V199 L200 V306 T342	L125-L196 HydrophobicContact CD1-CB 4.4Å; L125-L196 HydrophobicContact CD1-CD1 4.24Å; F128-L196 HydrophobicContact CD1-CD2 3.95Å; F128-L196 HydrophobicContact CE1-CD1 4.42Å; F128-L196 HydrophobicContact CE1-CD2 3.54Å; F128-L196 HydrophobicContact CE2-CD2 4.25Å; F128-L196 HydrophobicContact CG-CD2 4.49Å; F128-L196 HydrophobicContact CZ-CD2 3.71Å; M189-L196 HydrophobicContact CE-CD1 3.59Å; D192-L196 HydrophobicContact CB-CD1 4.42Å; D192-L196 WeakPolarHBondContact O-CG 3.42Å; D192-L196 PolarHBondContact O-N 3.03Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 PolarHBondContact O-N 2.96Å; L196-S198 PolarHBondContact O-N 2.91Å; L196-V199 PolarHBondContact O-N 3.29Å; L196-L200 VanDerWaalsContact O-CB 3.3Å; L196-L200 WeakPolarHBondContact O-CB 3.49Å; L196-L200 WeakPolarHBondContact O-CG 3.24Å; L196-L200 PolarHBondContact O-N 3.37Å; L196-V306 HydrophobicContact CD2-CG1 4.05Å; L196-T342 HydrophobicContact CD2-CG2 3.89Å; L196-T342 HydrophobicContact CG-CG2 3.9Å
197	E	94.6	Very high	91.2	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-39.5	170.8	-75.9	-174.5	159.5	0	0	112	Y111 Y121 L193 D195 N201 K202 K205 T206	Y111-E197 WeakPolarHBondContact CE2-OE1 3.15Å; Y111-E197 WeakPolarHBondContact OH-CG 3.41Å; Y111-E197 PolarHBondContact OH-OE1 2.88Å; Y121-E197 HydrophobicContact CE2-CG 4.47Å; Y121-E197 WeakPolarHBondContact OH-CG 3.39Å; L193-E197 WeakPolarHBondContact O-CB 3.41Å; L193-E197 VanDerWaalsContact O-CG 3.25Å; L193-E197 WeakPolarHBondContact O-CG 3.4Å; L193-E197 PolarHBondContact O-N 3.48Å; D195-E197 VanDerWaalsContact C-N 3.31Å; D195-E197 PolarHBondContact O-N 2.85Å; E197-N201 PolarHBondContact O-N 3.46Å; E197-K202 HydrophobicContact CB-CB 4.11Å; E197-K202 HydrophobicContact CB-CD 4.18Å; E197-K202 HydrophobicContact CG-CB 4.41Å; E197-K202 HydrophobicContact CG-CD 3.62Å; E197-K202 WeakPolarHBondContact O-CB 3.44Å; E197-K202 PolarHBondContact O-N 2.76Å; E197-K202 WeakPolarHBondContact OE1-CD 3.41Å; E197-K202 IonicContact OE1-NZ 2.67Å; E197-K202 PolarHBondContact OE1-NZ 2.93Å; E197-K205 WeakPolarHBondContact OE2-CA 3.4Å; E197-T206 WeakPolarHBondContact OE1-CB 3.34Å; E197-T206 PolarHBondContact OE1-OG1 3.18Å; E197-T206 PolarHBondContact OE2-N 3.46Å; E197-T206 PolarHBondContact OE2-OG1 3.29Å
198	S	92.8	Very high	90.6	Very high	19 Å²	19	39.1 Å²	39.1	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-73.4	-44.3	176	-68.8	0	0	0	0	112.2	D195 L196 L200 N201 K205	D195-S198 WeakPolarHBondContact O-CA 3.46Å; D195-S198 WeakPolarHBondContact O-CB 3.37Å; D195-S198 PolarHBondContact O-N 3.34Å; L196-S198 PolarHBondContact O-N 2.91Å; S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 2.84Å; S198-N201 PolarHBondContact O-N 3.06Å; S198-K205 WeakPolarHBondContact OG-CE 3.39Å; S198-K205 PolarHBondContact OG-NZ 3.44Å
199	V	94.3	Very high	89.9	Confident	26 Å²	26	42 Å²	42	16%	0.158	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-40.9	179	172.7	0	0	0	0	111.3	D195 L196 W303 V306	D195-V199 WeakPolarHBondContact O-CG2 3.35Å; D195-V199 PolarHBondContact O-N 2.76Å; L196-V199 PolarHBondContact O-N 3.29Å; V199-W303 HydrophobicContact CG2-CB 4.09Å; V199-W303 HydrophobicContact CG2-CD2 4.01Å; V199-W303 HydrophobicContact CG2-CE3 3.67Å; V199-W303 HydrophobicContact CG2-CG 4.21Å; V199-W303 HydrophobicContact CG2-CZ3 4.39Å; V199-V306 HydrophobicContact CG1-CB 4Å; V199-V306 HydrophobicContact CG1-CG1 4.1Å; V199-V306 HydrophobicContact CG2-CB 3.68Å; V199-V306 HydrophobicContact CG2-CG1 3.89Å; V199-V306 HydrophobicContact CG2-CG2 3.73Å
200	L	94.9	Very high	89	Confident	19 Å²	19	42.7 Å²	42.7	10%	0.099	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	14.3	-175.9	-57.1	174.9	0	0	0	112.9	Y121 R124 L125 F128 L196 S198 K202	Y121-L200 HydrophobicContact CD2-CB 3.99Å; Y121-L200 HydrophobicContact CE2-CB 3.86Å; Y121-L200 HydrophobicContact CE2-CD1 4.29Å; R124-L200 HydrophobicContact CB-CD2 4.36Å; R124-L200 VanDerWaalsContact CZ-O 3.23Å; R124-L200 PolarHBondContact NE-O 2.81Å; R124-L200 PolarHBondContact NH2-O 2.77Å; L125-L200 VanDerWaalsContact CA-CD1 3.5Å; L125-L200 HydrophobicContact CB-CD1 3.91Å; L125-L200 HydrophobicContact CD1-CD1 3.77Å; L125-L200 HydrophobicContact CG-CD1 4.48Å; F128-L200 HydrophobicContact CB-CD1 4.29Å; F128-L200 HydrophobicContact CB-CD2 4.47Å; F128-L200 HydrophobicContact CD2-CD2 4.24Å; L196-L200 VanDerWaalsContact O-CB 3.3Å; L196-L200 WeakPolarHBondContact O-CB 3.49Å; L196-L200 WeakPolarHBondContact O-CG 3.24Å; L196-L200 PolarHBondContact O-N 3.37Å; S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 2.84Å; L200-K202 PolarHBondContact O-N 2.85Å
201	N	91.8	Very high	88.3	Confident	129 Å²	129	41 Å²	41	69%	0.69	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	52.6	175.2	-60.4	-48.2	0	0	0	113.4	R124 E197 S198	R124-N201 PolarHBondContact NH2-O 3.08Å; E197-N201 PolarHBondContact O-N 3.46Å; S198-N201 PolarHBondContact O-N 3.06Å
202	K	90.9	Very high	87	Confident	25 Å²	25	40.8 Å²	40.8	11%	0.109	23%	0.233	C	C	.	.			trans	-65	135.1	168.7	-166.9	177.6	176.4	-174.1	0	109.6	E118 Y121 E197 L200 S204	E118-K202 WeakPolarHBondContact OE2-CE 3.32Å; E118-K202 VanDerWaalsContact OE2-CG 3.31Å; E118-K202 WeakPolarHBondContact OE2-CG 3.48Å; Y121-K202 HydrophobicContact CD1-CB 4.47Å; Y121-K202 HydrophobicContact CD1-CD 3.94Å; Y121-K202 HydrophobicContact CD1-CG 3.95Å; Y121-K202 HydrophobicContact CD2-CB 3.62Å; Y121-K202 HydrophobicContact CD2-CD 4.44Å; Y121-K202 HydrophobicContact CD2-CG 4.01Å; Y121-K202 HydrophobicContact CE1-CD 3.74Å; Y121-K202 HydrophobicContact CE1-CG 4.22Å; Y121-K202 HydrophobicContact CE2-CB 3.8Å; Y121-K202 HydrophobicContact CE2-CD 4.24Å; Y121-K202 HydrophobicContact CE2-CG 4.25Å; Y121-K202 HydrophobicContact CG-CB 3.99Å; Y121-K202 HydrophobicContact CG-CD 4.3Å; Y121-K202 HydrophobicContact CG-CG 3.85Å; E197-K202 HydrophobicContact CB-CB 4.11Å; E197-K202 HydrophobicContact CB-CD 4.18Å; E197-K202 HydrophobicContact CG-CB 4.41Å; E197-K202 HydrophobicContact CG-CD 3.62Å; E197-K202 WeakPolarHBondContact O-CB 3.44Å; E197-K202 PolarHBondContact O-N 2.76Å; E197-K202 WeakPolarHBondContact OE1-CD 3.41Å; E197-K202 IonicContact OE1-NZ 2.67Å; E197-K202 PolarHBondContact OE1-NZ 2.93Å; L200-K202 PolarHBondContact O-N 2.85Å; K202-S204 VanDerWaalsContact CD-O 3.23Å; K202-S204 WeakPolarHBondContact CD-O 3.49Å; K202-S204 WeakPolarHBondContact CE-O 3.49Å; K202-S204 WeakPolarHBondContact CG-O 3.26Å
203	S	84.6	Confident	86.1	Confident	106 Å²	106	41.2 Å²	41.2	74%	0.741	24%	0.236	S	C	*	.	S	Bend	trans	-68.5	-46	-179.1	23.9	0	0	0	0	112.3	E118	E118-S203 PolarHBondContact OE1-OG 2.87Å
204	S	83.3	Confident	86.1	Confident	81 Å²	81	40.8 Å²	40.8	57%	0.566	23%	0.234	S	C	*	.	S	Bend	trans	-110.5	103.2	174.8	-170.2	0	0	0	0	110.4	E118 K202	E118-S204 PolarHBondContact OE1-N 3.36Å; E118-S204 VanDerWaalsContact OE1-N 3.12Å; K202-S204 VanDerWaalsContact CD-O 3.23Å; K202-S204 WeakPolarHBondContact CD-O 3.49Å; K202-S204 WeakPolarHBondContact CE-O 3.49Å; K202-S204 WeakPolarHBondContact CG-O 3.26Å
205	K	81.3	Confident	86.5	Confident	98 Å²	98	38.5 Å²	38.5	43%	0.426	22%	0.223	S	C	.	.			trans	-80.5	139	179.7	-58.8	-179.3	-175.4	-173.1	0	110.7	E197 S198	E197-K205 WeakPolarHBondContact OE2-CA 3.4Å; S198-K205 WeakPolarHBondContact OG-CE 3.39Å; S198-K205 PolarHBondContact OG-NZ 3.44Å
206	T	79.5	Confident	86.7	Confident	95 Å²	95	38.3 Å²	38.3	58%	0.583	22%	0.222	S	C	*	.	S	Bend	trans	-69.1	-41.8	176.2	-52	0	0	0	0	110.2	E197 T208	E197-T206 WeakPolarHBondContact OE1-CB 3.34Å; E197-T206 PolarHBondContact OE1-OG1 3.18Å; E197-T206 PolarHBondContact OE2-N 3.46Å; E197-T206 PolarHBondContact OE2-OG1 3.29Å; T206-T208 PolarHBondContact O-N 3.23Å
207	R	81.4	Confident	86.8	Confident	57 Å²	57	38.3 Å²	38.3	22%	0.215	22%	0.222	C	C	.	.	S	Bend	trans	-81.3	118.7	175.4	-171.3	176	-179	174.7	-2.4	111.6	E194 S211	E194-R207 HydrophobicContact CB-CB 4.49Å; E194-R207 VanDerWaalsContact OE2-CD 3.24Å; E194-R207 WeakPolarHBondContact OE2-CD 3.35Å; E194-R207 IonicContact OE2-CZ 3.23Å; E194-R207 IonicContact OE2-NE 2.7Å; E194-R207 IonicContact OE2-NH1 3.54Å; E194-R207 PolarHBondContact OE2-NH1 2.9Å; R207-S211 PolarHBondContact NE-O 2.84Å; R207-S211 PolarHBondContact NH2-O 3.2Å
208	T	83.4	Confident	87	Confident	48 Å²	48	38.2 Å²	38.2	29%	0.294	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-81.5	152.5	173.6	60	0	0	0	0	111.9	T206 G210 S211 R496	T206-T208 PolarHBondContact O-N 3.23Å; T208-G210 PolarHBondContact O-N 3.01Å; T208-S211 VanDerWaalsContact O-CB 3.26Å; T208-S211 WeakPolarHBondContact O-CB 3.42Å; T208-S211 PolarHBondContact O-N 2.96Å; T208-R496 PolarHBondContact OG1-NH1 2.84Å
209	L	83.8	Confident	87.3	Confident	61 Å²	61	38 Å²	38	32%	0.319	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129.8	174.5	177.5	66	0	0	0	111.3	S211 L413 Y417 F490 A492	L209-S211 PolarHBondContact O-N 2.93Å; L209-L413 HydrophobicContact CD1-CD1 4.45Å; L209-L413 HydrophobicContact CD1-CD2 4.15Å; L209-Y417 HydrophobicContact CD2-CE2 3.71Å; L209-Y417 WeakPolarHBondContact CD2-OH 3.27Å; L209-F490 HydrophobicContact CD2-CB 4.05Å; L209-F490 HydrophobicContact CG-CB 4.42Å; L209-A492 WeakPolarHBondContact O-CB 3.28Å; L209-A492 PolarHBondContact O-N 2.67Å
210	G	75.6	Confident	87.5	Confident	14 Å²	14	37.3 Å²	37.3	14%	0.144	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	0.4	-178.5	0	0	0	0	0	113.9	T208 G212 W420 A492	T208-G210 PolarHBondContact O-N 3.01Å; G210-G212 PolarHBondContact O-N 3.44Å; G210-W420 WeakPolarHBondContact O-CH2 3.43Å; G210-A492 WeakPolarHBondContact O-CB 3.5Å
211	S	77.7	Confident	87.7	Confident	11 Å²	11	36.9 Å²	36.9	8%	0.077	21%	0.212	C	C	.	.			trans	-57.9	115.1	176.3	-161.8	0	0	0	0	108	R207 T208 L209 R496	R207-S211 PolarHBondContact NE-O 2.84Å; R207-S211 PolarHBondContact NH2-O 3.2Å; T208-S211 VanDerWaalsContact O-CB 3.26Å; T208-S211 WeakPolarHBondContact O-CB 3.42Å; T208-S211 PolarHBondContact O-N 2.96Å; L209-S211 PolarHBondContact O-N 2.93Å; S211-R496 PolarHBondContact OG-NH1 3.34Å
212	G	64.9	Low	87.8	Confident	3 Å²	3	34.3 Å²	34.3	3%	0.031	20%	0.202	C	C	.	.			trans	-68.2	159.2	167.2	0	0	0	0	0	109.8	G210 N397	G210-G212 PolarHBondContact O-N 3.44Å; G212-N397 WeakPolarHBondContact CA-OD1 3.15Å
213	S	77.8	Confident	87.9	Confident	10 Å²	10	40.2 Å²	40.2	7%	0.07	24%	0.235	C	C	.	.			trans	-143.3	94.2	166.6	-175.5	0	0	0	0	107.6	T294 N397	S213-T294 WeakPolarHBondContact CB-OG1 3.43Å; S213-T294 PolarHBondContact O-N 2.6Å; S213-T294 PolarHBondContact OG-OG1 2.73Å; S213-N397 VanDerWaalsContact N-CG 3.25Å; S213-N397 PolarHBondContact N-ND2 3.49Å; S213-N397 VanDerWaalsContact N-ND2 3.11Å; S213-N397 PolarHBondContact N-OD1 3Å; S213-N397 PolarHBondContact O-ND2 3.04Å
214	C	94.8	Very high	88.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.			trans	88.7	154.2	174.5	-41.9	0	0	0	0	117.3	H231 D232 T293 N397 R428	C214-H231 VanDerWaalsContact CB-CE1 3.48Å; C214-H231 WeakPolarHBondContact CB-CE1 3.23Å; C214-H231 WeakPolarHBondContact CB-NE2 3.44Å; C214-H231 PolarHBondContact SG-CE1 2.64Å; C214-D232 CarbonylContact C-O 3.2Å; C214-D232 WeakPolarHBondContact CA-O 3.47Å; C214-D232 WeakPolarHBondContact CB-O 3.5Å; C214-T293 HydrophobicContact CB-CG2 3.9Å; C214-T293 WeakPolarHBondContact O-CG2 3.5Å; C214-N397 PolarHBondContact O-ND2 2.86Å; C214-N397 PolarHBondContact O-OD1 3.15Å; C214-N397 VanDerWaalsContact O-OD1 3.05Å; C214-R428 PolarHBondContact O-NH1 3.29Å
215	S	98.5	Very high	89.2	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.9	169.3	-63	0	0	0	0	108.9	D232 S395 R428 M449 I475	S215-D232 PolarHBondContact N-O 2.83Å; S215-D232 PolarHBondContact O-N 3.03Å; S215-S395 WeakPolarHBondContact CA-O 3.32Å; S215-R428 VanDerWaalsContact OG-CD 3.27Å; S215-R428 WeakPolarHBondContact OG-CD 3.27Å; S215-R428 PolarHBondContact OG-NH1 3.34Å; S215-R428 VanDerWaalsContact OG-NH1 3.12Å; S215-M449 WeakPolarHBondContact O-CE 3.33Å; S215-I475 WeakPolarHBondContact CB-O 3.43Å; S215-I475 PolarHBondContact OG-O 3.15Å
216	A	98.8	Very high	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.2	177.7	0	0	0	0	0	112.6	S230 L291 T293 M348 A394 S395	A216-S230 CarbonylContact C-O 3.52Å; A216-S230 VanDerWaalsContact CA-O 3.32Å; A216-S230 WeakPolarHBondContact CA-O 3.43Å; A216-L291 HydrophobicContact CB-CD1 3.83Å; A216-T293 HydrophobicContact CB-CG2 4.03Å; A216-M348 HydrophobicContact CB-CE 3.9Å; A216-M348 HydrophobicContact CB-SD 4.05Å; A216-A394 WeakPolarHBondContact O-CA 3.41Å; A216-S395 PolarHBondContact N-O 3.07Å; A216-S395 PolarHBondContact O-N 3.11Å
217	L	98.9	Very high	90.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	121.5	175.6	-175.6	62.1	0	0	0	110.7	K219 S230 Y392 W393 A394 F432 V439 M445 L448 M449	L217-K219 HydrophobicContact CG-CB 4.42Å; L217-S230 PolarHBondContact N-O 3.2Å; L217-S230 PolarHBondContact O-N 3.06Å; L217-Y392 HydrophobicContact CD1-CD2 3.64Å; L217-Y392 HydrophobicContact CD1-CG 4.3Å; L217-W393 WeakPolarHBondContact CA-O 3.16Å; L217-W393 WeakPolarHBondContact CD1-O 3.47Å; L217-A394 HydrophobicContact CD1-CB 4.14Å; L217-F432 HydrophobicContact CB-CE1 3.96Å; L217-F432 HydrophobicContact CD1-CD1 4.15Å; L217-F432 HydrophobicContact CD1-CE1 4.34Å; L217-F432 HydrophobicContact CD2-CD1 4.22Å; L217-F432 HydrophobicContact CD2-CE1 4.1Å; L217-F432 HydrophobicContact CG-CE1 4.37Å; L217-V439 HydrophobicContact CD2-CG2 4.33Å; L217-M445 HydrophobicContact CB-CE 4.25Å; L217-M445 HydrophobicContact CB-SD 4.34Å; L217-M445 HydrophobicContact CD2-CE 4.07Å; L217-M445 HydrophobicContact CD2-SD 3.68Å; L217-M445 HydrophobicContact CG-CE 3.99Å; L217-M445 HydrophobicContact CG-SD 4.19Å; L217-M445 WeakPolarHBondContact O-CE 3.3Å; L217-L448 HydrophobicContact CD2-CD2 3.68Å; L217-M449 HydrophobicContact CB-CE 4.44Å; L217-M449 HydrophobicContact CB-SD 3.54Å; L217-M449 VanDerWaalsContact CB-SD 3.54Å; L217-M449 HydrophobicContact CD2-SD 4.35Å
218	I	98.9	Very high	91.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118	167.9	-58.9	165.7	0	0	0	106.6	L227 L228 V229 M348 V350 L367 L387 Y392 W393	I218-L227 HydrophobicContact CG2-CD1 3.73Å; I218-L227 HydrophobicContact CG2-CG 4.5Å; I218-L228 CarbonylContact C-O 3.59Å; I218-L228 WeakPolarHBondContact CA-O 3.46Å; I218-V229 HydrophobicContact CG1-CG1 4.18Å; I218-V229 HydrophobicContact CG1-CG2 4.35Å; I218-V229 HydrophobicContact CG2-CG2 4.26Å; I218-M348 HydrophobicContact CD1-CB 3.84Å; I218-M348 HydrophobicContact CD1-CG 4.16Å; I218-M348 HydrophobicContact CD1-SD 4.26Å; I218-V350 HydrophobicContact CD1-CG2 3.64Å; I218-V350 HydrophobicContact CG1-CG2 4.23Å; I218-V350 HydrophobicContact CG2-CG2 4.33Å; I218-L367 HydrophobicContact CD1-CD1 3.61Å; I218-L367 HydrophobicContact CD1-CD2 4.31Å; I218-L387 HydrophobicContact CG2-CD1 4.1Å; I218-L387 HydrophobicContact CG2-CD2 4.19Å; I218-Y392 CarbonylContact O-C 3.56Å; I218-Y392 WeakPolarHBondContact O-CA 3.47Å; I218-Y392 WeakPolarHBondContact O-CB 2.89Å; I218-W393 HydrophobicContact CB-CB 4.2Å; I218-W393 PolarHBondContact N-O 2.94Å; I218-W393 PolarHBondContact O-N 3.44Å
219	K	98.8	Very high	92.5	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.065	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.3	-171.5	177.3	68.8	-165.4	150.9	0	110.6	L217 L221 L228 G391 V439 M445	L217-K219 HydrophobicContact CG-CB 4.42Å; K219-L221 HydrophobicContact CG-CD2 4.03Å; K219-L228 HydrophobicContact CB-CB 4.35Å; K219-L228 PolarHBondContact N-O 3.34Å; K219-L228 PolarHBondContact O-N 2.93Å; K219-G391 WeakPolarHBondContact CD-O 3.2Å; K219-G391 PolarHBondContact NZ-O 3.29Å; K219-V439 HydrophobicContact CB-CG1 4.44Å; K219-V439 HydrophobicContact CD-CB 4.32Å; K219-V439 WeakPolarHBondContact CE-O 3.11Å; K219-V439 HydrophobicContact CG-CB 4.08Å; K219-V439 HydrophobicContact CG-CG1 3.82Å; K219-M445 HydrophobicContact CB-CE 3.57Å
220	L	98.4	Very high	93.2	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.063	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.9	167.5	-175	62.3	0	0	0	108.6	N224 L227 F355 L388 G391	L220-N224 HydrophobicContact CD1-CB 4.27Å; L220-N224 WeakPolarHBondContact CD2-OD1 3.14Å; L220-L227 HydrophobicContact CB-CD1 4.42Å; L220-L227 HydrophobicContact CD1-CD1 4.46Å; L220-F355 HydrophobicContact CD1-CE2 3.63Å; L220-F355 HydrophobicContact CD1-CZ 4.21Å; L220-L388 HydrophobicContact CD2-CD2 3.75Å; L220-G391 PolarHBondContact N-O 3.23Å; L220-G391 VanDerWaalsContact N-O 3.12Å
221	L	98.1	Very high	94.3	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.052	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-73.4	157.5	179.2	-64.8	-168.7	0	0	0	111.4	K219 N223 N224 K225 D226 L228	K219-L221 HydrophobicContact CG-CD2 4.03Å; L221-N223 PolarHBondContact O-N 2.73Å; L221-N224 PolarHBondContact O-N 3.28Å; L221-K225 HydrophobicContact CB-CB 4.41Å; L221-D226 HydrophobicContact CD1-CB 3.62Å; L221-D226 HydrophobicContact CG-CB 4.09Å; L221-D226 PolarHBondContact N-O 3.2Å; L221-L228 HydrophobicContact CD1-CD1 4.22Å; L221-L228 HydrophobicContact CD1-CG 4.29Å; L221-L228 HydrophobicContact CD2-CD1 3.91Å; L221-L228 HydrophobicContact CD2-CG 4.27Å; L221-L228 HydrophobicContact CG-CD1 4.27Å; L221-L228 HydrophobicContact CG-CG 4.18Å
222	P	94.6	Very high	95.3	Very high	75 Å²	75	23.1 Å²	23.1	49%	0.487	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-50.8	140.1	175.6	-26.9	35.3	0	0	0	112.4	N224 K225	P222-N224 PolarHBondContact O-N 3.49Å; P222-K225 WeakPolarHBondContact O-CB 3.39Å; P222-K225 PolarHBondContact O-N 3.41Å
223	N	94.1	Very high	96.9	Very high	148 Å²	148	23.1 Å²	23.1	79%	0.791	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	58	25.9	-176.8	-51.6	-41	0	0	0	114.3	L221 K225	L221-N223 PolarHBondContact O-N 2.73Å; N223-K225 PolarHBondContact O-N 3.04Å; N223-K225 VanDerWaalsContact O-N 3.09Å
224	N	96.1	Very high	97.8	Very high	25 Å²	25	22.8 Å²	22.8	13%	0.134	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	53.6	30.4	-177.2	-57.2	-7.7	0	0	0	112.5	L220 L221 P222 D226 F355 P357 G358 E359 I362	L220-N224 HydrophobicContact CD1-CB 4.27Å; L220-N224 WeakPolarHBondContact CD2-OD1 3.14Å; L221-N224 PolarHBondContact O-N 3.28Å; P222-N224 PolarHBondContact O-N 3.49Å; N224-D226 PolarHBondContact O-N 2.78Å; N224-F355 HydrophobicContact CB-CE2 4.37Å; N224-F355 WeakPolarHBondContact O-CZ 3.3Å; N224-P357 WeakPolarHBondContact O-CA 3.12Å; N224-G358 PolarHBondContact O-N 2.99Å; N224-E359 PolarHBondContact ND2-O 3.46Å; N224-I362 WeakPolarHBondContact ND2-CD1 3.4Å
225	K	97.4	Very high	97.9	Very high	158 Å²	158	25 Å²	25	69%	0.687	13%	0.13	S	C	*	.			trans	-60.2	-31.7	-176.7	-175	-176	175	-168.7	0	112	L221 P222 N223 P357	L221-K225 HydrophobicContact CB-CB 4.41Å; P222-K225 WeakPolarHBondContact O-CB 3.39Å; P222-K225 PolarHBondContact O-N 3.41Å; N223-K225 PolarHBondContact O-N 3.04Å; N223-K225 VanDerWaalsContact O-N 3.09Å; K225-P357 WeakPolarHBondContact O-CB 3.44Å
226	D	98.3	Very high	97.7	Very high	29 Å²	29	27.2 Å²	27.2	16%	0.155	14%	0.143	C	C	.	.			trans	-160.6	163.2	176	-151.7	-13.3	0	0	0	109.8	L221 N224 L228 F355 S507 Y508	L221-D226 HydrophobicContact CD1-CB 3.62Å; L221-D226 HydrophobicContact CG-CB 4.09Å; L221-D226 PolarHBondContact N-O 3.2Å; N224-D226 PolarHBondContact O-N 2.78Å; D226-L228 HydrophobicContact CB-CD2 4.24Å; D226-F355 VanDerWaalsContact C-CZ 3.42Å; D226-S507 VanDerWaalsContact OD2-CB 3.3Å; D226-S507 WeakPolarHBondContact OD2-CB 3.13Å; D226-Y508 VanDerWaalsContact OD1-CB 3.27Å; D226-Y508 WeakPolarHBondContact OD1-CB 3.38Å; D226-Y508 PolarHBondContact OD1-N 3.01Å
227	L	98.7	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.5	168.3	177.3	64.9	0	0	0	106.8	I218 L220 V350 Y352 F355 L366 L387	I218-L227 HydrophobicContact CG2-CD1 3.73Å; I218-L227 HydrophobicContact CG2-CG 4.5Å; L220-L227 HydrophobicContact CB-CD1 4.42Å; L220-L227 HydrophobicContact CD1-CD1 4.46Å; L227-V350 HydrophobicContact CD2-CG1 3.67Å; L227-Y352 HydrophobicContact CB-CE1 4.02Å; L227-Y352 HydrophobicContact CD2-CD1 4.47Å; L227-Y352 HydrophobicContact CD2-CE1 4.05Å; L227-Y352 HydrophobicContact CG-CE1 4.21Å; L227-Y352 PolarHBondContact O-OH 3.06Å; L227-F355 HydrophobicContact CB-CD1 3.88Å; L227-F355 HydrophobicContact CB-CD2 4.11Å; L227-F355 HydrophobicContact CB-CE1 3.71Å; L227-F355 HydrophobicContact CB-CE2 3.95Å; L227-F355 HydrophobicContact CB-CG 4.08Å; L227-F355 HydrophobicContact CB-CZ 3.75Å; L227-F355 HydrophobicContact CD2-CB 4.49Å; L227-F355 HydrophobicContact CD2-CD2 4.39Å; L227-F355 HydrophobicContact CD2-CG 4.28Å; L227-L366 HydrophobicContact CD2-CD1 3.85Å; L227-L366 HydrophobicContact CD2-CD2 4.18Å; L227-L366 HydrophobicContact CD2-CG 4.31Å; L227-L387 HydrophobicContact CD1-CD2 4.18Å
228	L	98.9	Very high	97.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.8	-179.1	-58.2	-172	0	0	0	109.6	I218 K219 L221 D226 V439 L442 M445 L505	I218-L228 CarbonylContact C-O 3.59Å; I218-L228 WeakPolarHBondContact CA-O 3.46Å; K219-L228 HydrophobicContact CB-CB 4.35Å; K219-L228 PolarHBondContact N-O 3.34Å; K219-L228 PolarHBondContact O-N 2.93Å; L221-L228 HydrophobicContact CD1-CD1 4.22Å; L221-L228 HydrophobicContact CD1-CG 4.29Å; L221-L228 HydrophobicContact CD2-CD1 3.91Å; L221-L228 HydrophobicContact CD2-CG 4.27Å; L221-L228 HydrophobicContact CG-CD1 4.27Å; L221-L228 HydrophobicContact CG-CG 4.18Å; D226-L228 HydrophobicContact CB-CD2 4.24Å; L228-V439 HydrophobicContact CD1-CG1 4.28Å; L228-L442 HydrophobicContact CD1-CD2 4.34Å; L228-L442 HydrophobicContact CD2-CD2 3.61Å; L228-M445 HydrophobicContact CB-CE 3.63Å; L228-M445 HydrophobicContact CD1-CB 4.01Å; L228-M445 HydrophobicContact CD1-CE 4.48Å; L228-M445 HydrophobicContact CD1-CG 4.39Å; L228-L505 HydrophobicContact CB-CD1 3.99Å
229	V	98.9	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.5	177.9	-179	0	0	0	0	108.6	I218 F281 V289 L291 V350 Y352 L505 T506	I218-V229 HydrophobicContact CG1-CG1 4.18Å; I218-V229 HydrophobicContact CG1-CG2 4.35Å; I218-V229 HydrophobicContact CG2-CG2 4.26Å; V229-F281 HydrophobicContact CG1-CE2 4.18Å; V229-V289 HydrophobicContact CB-CG1 4.29Å; V229-V289 HydrophobicContact CG1-CG1 3.73Å; V229-L291 HydrophobicContact CG1-CD1 3.76Å; V229-L291 HydrophobicContact CG1-CD2 3.64Å; V229-L291 HydrophobicContact CG1-CG 4.4Å; V229-V350 HydrophobicContact CG2-CB 4.32Å; V229-V350 HydrophobicContact CG2-CG1 4.17Å; V229-V350 HydrophobicContact CG2-CG2 3.91Å; V229-Y352 HydrophobicContact CG2-CE2 4.36Å; V229-Y352 WeakPolarHBondContact CG2-OH 3.34Å; V229-L505 WeakPolarHBondContact O-CA 3.35Å; V229-T506 HydrophobicContact CB-CG2 4.29Å; V229-T506 PolarHBondContact N-O 3.18Å; V229-T506 PolarHBondContact O-N 2.87Å
230	S	98.8	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.8	-176.7	-167.1	0	0	0	0	113.3	A216 L217 M449 K504	A216-S230 CarbonylContact C-O 3.52Å; A216-S230 VanDerWaalsContact CA-O 3.32Å; A216-S230 WeakPolarHBondContact CA-O 3.43Å; L217-S230 PolarHBondContact N-O 3.2Å; L217-S230 PolarHBondContact O-N 3.06Å; S230-M449 WeakPolarHBondContact OG-CG 3.34Å; S230-K504 CarbonylContact C-O 3.51Å; S230-K504 WeakPolarHBondContact CA-O 3.46Å; S230-K504 WeakPolarHBondContact CB-O 3.34Å; S230-K504 PolarHBondContact OG-O 2.95Å
231	H	98.8	Very high	97.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.5	-178.6	-177.9	-80	0	0	0	109.9	C214 T233 D279 F281 L291 E292 M503 K504	C214-H231 VanDerWaalsContact CB-CE1 3.48Å; C214-H231 WeakPolarHBondContact CB-CE1 3.23Å; C214-H231 WeakPolarHBondContact CB-NE2 3.44Å; C214-H231 PolarHBondContact SG-CE1 2.64Å; H231-T233 PolarHBondContact CE1-OG1 3.22Å; H231-D279 PolarHBondContact CE1-O 3.05Å; H231-D279 VanDerWaalsContact CE1-O 3.22Å; H231-D279 PolarHBondContact NE2-O 3.44Å; H231-F281 HydrophobicContact CB-CB 4.42Å; H231-F281 HydrophobicContact CB-CD2 3.65Å; H231-F281 HydrophobicContact CB-CE2 4.35Å; H231-F281 HydrophobicContact CB-CG 4.39Å; H231-L291 HydrophobicContact CB-CD1 4.06Å; H231-E292 PolarHBondContact CD2-O 3.33Å; H231-E292 PolarHBondContact NE2-O 3.32Å; H231-M503 CarbonylContact O-C 3.52Å; H231-M503 WeakPolarHBondContact O-CA 3.23Å; H231-K504 PolarHBondContact N-O 3.39Å; H231-K504 PolarHBondContact ND1-NZ 3.4Å; H231-K504 PolarHBondContact O-N 2.95Å
232	D	98.2	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	111.1	173	176.3	-70.6	0	0	0	107.5	C214 S215 W234 M449 R450 S476 G500 D502	C214-D232 CarbonylContact C-O 3.2Å; C214-D232 WeakPolarHBondContact CA-O 3.47Å; C214-D232 WeakPolarHBondContact CB-O 3.5Å; S215-D232 PolarHBondContact N-O 2.83Å; S215-D232 PolarHBondContact O-N 3.03Å; D232-W234 PolarHBondContact OD1-NE1 3.47Å; D232-M449 HydrophobicContact CB-CE 4.04Å; D232-R450 IonicContact OD2-CZ 2.7Å; D232-R450 IonicContact OD2-NH2 3.88Å; D232-S476 PolarHBondContact OD1-OG 2.8Å; D232-S476 WeakPolarHBondContact OD2-CB 3.06Å; D232-S476 PolarHBondContact OD2-OG 2.93Å; D232-G500 VanDerWaalsContact OD1-CA 3.3Å; D232-G500 WeakPolarHBondContact OD1-CA 3.35Å; D232-D502 WeakPolarHBondContact CA-O 3.13Å
233	T	98.3	Very high	97.8	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.018	12%	0.123	C	C	.	.			trans	-73.5	132.3	-178.6	-52.1	0	0	0	0	110.3	H231 N235 D279 G500 T501 D502 K504	H231-T233 PolarHBondContact CE1-OG1 3.22Å; T233-N235 HydrophobicContact CG2-CB 4.28Å; T233-D279 HydrophobicContact CG2-CB 4.08Å; T233-D279 WeakPolarHBondContact CG2-OD1 3.28Å; T233-D279 VanDerWaalsContact OG1-CB 3.23Å; T233-D279 WeakPolarHBondContact OG1-CB 3.49Å; T233-D279 PolarHBondContact OG1-OD1 3.02Å; T233-D279 PolarHBondContact OG1-OD2 3.23Å; T233-D279 VanDerWaalsContact OG1-OD2 3.13Å; T233-G500 CarbonylContact O-C 3.37Å; T233-G500 VanDerWaalsContact O-CA 3.23Å; T233-G500 WeakPolarHBondContact O-CA 3.13Å; T233-T501 PolarHBondContact O-N 3.28Å; T233-T501 PolarHBondContact O-OG1 3Å; T233-D502 WeakPolarHBondContact CB-OD1 3.42Å; T233-D502 VanDerWaalsContact CB-OD2 3.23Å; T233-D502 WeakPolarHBondContact CB-OD2 3.38Å; T233-D502 PolarHBondContact N-OD1 3.21Å; T233-D502 PolarHBondContact OG1-OD1 2.95Å; T233-D502 PolarHBondContact OG1-OD2 2.84Å; T233-K504 PolarHBondContact OG1-NZ 2.73Å
234	W	97.9	Very high	98	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.3	167.1	-65.1	13.2	0	0	0	110.1	D232 E472 A474 I475 A477 G499 G500	D232-W234 PolarHBondContact OD1-NE1 3.47Å; W234-E472 VanDerWaalsContact CH2-O 3.24Å; W234-E472 WeakPolarHBondContact CH2-O 3.33Å; W234-E472 HydrophobicContact CZ3-CG 4.32Å; W234-E472 WeakPolarHBondContact CZ3-OE1 3.37Å; W234-A474 WeakPolarHBondContact CH2-O 3.33Å; W234-A474 VanDerWaalsContact CZ2-O 3.24Å; W234-A474 WeakPolarHBondContact CZ2-O 3.48Å; W234-I475 WeakPolarHBondContact CZ2-O 3.17Å; W234-I475 PolarHBondContact NE1-O 2.84Å; W234-A477 HydrophobicContact CD2-CB 3.76Å; W234-A477 HydrophobicContact CE3-CB 3.7Å; W234-A477 HydrophobicContact CH2-CB 3.44Å; W234-A477 VanDerWaalsContact CH2-CB 3.44Å; W234-A477 HydrophobicContact CZ2-CB 3.46Å; W234-A477 VanDerWaalsContact CZ2-CB 3.46Å; W234-A477 HydrophobicContact CZ3-CB 3.55Å; W234-G499 CarbonylContact C-O 3.43Å; W234-G499 WeakPolarHBondContact CA-O 3.41Å; W234-G500 VanDerWaalsContact CD1-CA 3.49Å
235	N	96	Very high	98.1	Very high	48 Å²	48	16 Å²	16	26%	0.257	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	172.7	-177.9	-154.5	-24.3	0	0	0	110.6	T233 Y271 H498 G499 T501	T233-N235 HydrophobicContact CG2-CB 4.28Å; N235-Y271 PolarHBondContact ND2-OH 3.13Å; N235-H498 VanDerWaalsContact C-CD2 3.41Å; N235-H498 WeakPolarHBondContact O-CA 3.49Å; N235-H498 PolarHBondContact O-CD2 3Å; N235-G499 PolarHBondContact N-O 3.25Å; N235-G499 PolarHBondContact O-N 2.97Å; N235-T501 HydrophobicContact CB-CG2 4.16Å
236	T	95.8	Very high	98.2	Very high	46 Å²	46	9.2 Å²	9.2	28%	0.282	5%	0.049	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	142.6	166.4	66.3	0	0	0	0	110.8	Q238 A239 P497	T236-Q238 PolarHBondContact O-N 3.48Å; T236-A239 WeakPolarHBondContact O-CB 3.48Å; T236-A239 PolarHBondContact O-N 3.36Å; T236-A239 VanDerWaalsContact O-N 3.12Å; T236-P497 CarbonylContact C-O 3.49Å; T236-P497 VanDerWaalsContact CA-O 3.26Å; T236-P497 WeakPolarHBondContact CA-O 3.49Å
237	Y	98.1	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-67.5	-22.2	-178.8	-68.8	-8.7	0	0	0	112.6	A239 M240 R478 D480 P497 H498 T501 P522 F530 W532 H545	Y237-A239 PolarHBondContact O-N 2.97Å; Y237-M240 HydrophobicContact CD1-CE 4.48Å; Y237-M240 HydrophobicContact CD1-SD 4.12Å; Y237-M240 HydrophobicContact CG-CE 4.18Å; Y237-M240 HydrophobicContact CG-SD 4.41Å; Y237-M240 WeakPolarHBondContact O-CB 3.5Å; Y237-M240 VanDerWaalsContact O-CE 3.31Å; Y237-M240 WeakPolarHBondContact O-CE 3.45Å; Y237-M240 VanDerWaalsContact O-CG 3.24Å; Y237-M240 WeakPolarHBondContact O-CG 3.46Å; Y237-M240 PolarHBondContact O-N 3.06Å; Y237-R478 PolarHBondContact OH-NE 3.13Å; Y237-D480 HydrophobicContact CE2-CB 3.71Å; Y237-D480 WeakPolarHBondContact CE2-OD1 3.47Å; Y237-D480 PolarHBondContact OH-OD1 3.46Å; Y237-P497 HydrophobicContact CD2-CB 4.39Å; Y237-P497 PolarHBondContact N-O 3.15Å; Y237-H498 VanDerWaalsContact CE1-C 3.47Å; Y237-H498 PolarHBondContact OH-O 3.23Å; Y237-T501 HydrophobicContact CD1-CG2 3.84Å; Y237-T501 HydrophobicContact CE1-CG2 4.18Å; Y237-P522 HydrophobicContact CD1-CG 4.19Å; Y237-P522 HydrophobicContact CE1-CB 4.38Å; Y237-P522 HydrophobicContact CE1-CG 3.73Å; Y237-P522 HydrophobicContact CE2-CG 4.24Å; Y237-F530 HydrophobicContact CD2-CD1 4.36Å; Y237-F530 AromaticContact CD2-CD2 3.89Å; Y237-F530 HydrophobicContact CD2-CD2 3.89Å; Y237-F530 HydrophobicContact CD2-CE1 4.05Å; Y237-F530 AromaticContact CD2-CE2 3.54Å; Y237-F530 HydrophobicContact CD2-CE2 3.54Å; Y237-F530 HydrophobicContact CD2-CG 4.29Å; Y237-F530 AromaticContact CD2-CZ 3.64Å; Y237-F530 HydrophobicContact CD2-CZ 3.64Å; Y237-F530 AromaticContact CE2-CD2 3.69Å; Y237-F530 HydrophobicContact CE2-CD2 3.69Å; Y237-F530 AromaticContact CE2-CE2 3.75Å; Y237-F530 HydrophobicContact CE2-CE2 3.75Å; Y237-F530 HydrophobicContact CE2-CG 4.19Å; Y237-F530 HydrophobicContact CE2-CZ 4.3Å; Y237-W532 WeakPolarHBondContact O-CZ2 3.31Å; Y237-H545 PolarHBondContact O-CE1 3.13Å
238	Q	97.6	Very high	98.2	Very high	44 Å²	44	10.2 Å²	10.2	21%	0.206	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-66.6	-20.8	174.7	-64.2	145.2	-87.1	0	0	112.8	N106 T236 M240 W532 L540 H545	N106-Q238 HydrophobicContact CB-CB 4.39Å; N106-Q238 WeakPolarHBondContact CB-O 3.34Å; T236-Q238 PolarHBondContact O-N 3.48Å; Q238-M240 VanDerWaalsContact C-N 3.3Å; Q238-M240 PolarHBondContact O-N 3.05Å; Q238-W532 HydrophobicContact CG-CH2 4.13Å; Q238-L540 HydrophobicContact CG-CB 4.44Å; Q238-L540 HydrophobicContact CG-CD1 4.37Å; Q238-H545 PolarHBondContact O-CE1 2.97Å
239	A	97.1	Very high	98.2	Very high	5 Å²	5	10.4 Å²	10.4	4%	0.041	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-82.3	-0.3	177.9	0	0	0	0	0	113.8	T107 T236 Y237 L241 Y271	T107-A239 HydrophobicContact CG2-CB 4.2Å; T236-A239 WeakPolarHBondContact O-CB 3.48Å; T236-A239 PolarHBondContact O-N 3.36Å; T236-A239 VanDerWaalsContact O-N 3.12Å; Y237-A239 PolarHBondContact O-N 2.97Å; A239-L241 PolarHBondContact O-N 2.92Å; A239-Y271 HydrophobicContact CB-CE1 4.02Å; A239-Y271 VanDerWaalsContact O-CD1 3.23Å; A239-Y271 WeakPolarHBondContact O-CD1 3.3Å; A239-Y271 WeakPolarHBondContact O-CE1 3.41Å
240	M	98.3	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.			trans	-73.1	14.6	-170.5	-63.3	-172.7	-55	0	0	116.1	Y237 Q238 R242 T501 P522 F530 W532 W549	Y237-M240 HydrophobicContact CD1-CE 4.48Å; Y237-M240 HydrophobicContact CD1-SD 4.12Å; Y237-M240 HydrophobicContact CG-CE 4.18Å; Y237-M240 HydrophobicContact CG-SD 4.41Å; Y237-M240 WeakPolarHBondContact O-CB 3.5Å; Y237-M240 VanDerWaalsContact O-CE 3.31Å; Y237-M240 WeakPolarHBondContact O-CE 3.45Å; Y237-M240 VanDerWaalsContact O-CG 3.24Å; Y237-M240 WeakPolarHBondContact O-CG 3.46Å; Y237-M240 PolarHBondContact O-N 3.06Å; Q238-M240 VanDerWaalsContact C-N 3.3Å; Q238-M240 PolarHBondContact O-N 3.05Å; M240-R242 WeakPolarHBondContact O-CG 3.4Å; M240-R242 PolarHBondContact O-N 3.01Å; M240-T501 HydrophobicContact CG-CG2 3.85Å; M240-T501 HydrophobicContact SD-CG2 3.94Å; M240-P522 HydrophobicContact CE-CG 4.46Å; M240-P522 HydrophobicContact SD-CG 3.97Å; M240-F530 HydrophobicContact CE-CD1 4.18Å; M240-F530 HydrophobicContact CE-CE1 4.15Å; M240-W532 HydrophobicContact CE-CZ2 4.14Å; M240-W549 HydrophobicContact CB-CH2 3.51Å; M240-W549 HydrophobicContact CB-CZ2 3.7Å; M240-W549 HydrophobicContact CB-CZ3 4.07Å; M240-W549 HydrophobicContact CE-CD2 3.81Å; M240-W549 VanDerWaalsContact CE-CE2 3.48Å; M240-W549 HydrophobicContact CE-CE3 4.42Å; M240-W549 HydrophobicContact CE-CG 4.18Å; M240-W549 HydrophobicContact CE-CH2 4.45Å; M240-W549 HydrophobicContact CE-CZ2 3.8Å; M240-W549 WeakPolarHBondContact O-CH2 3.43Å; M240-W549 HydrophobicContact SD-CD2 4.32Å; M240-W549 HydrophobicContact SD-CE3 4.39Å
241	L	98.3	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.			trans	-76.9	112.5	160.7	-75.5	-179.6	0	0	0	108.9	I63 L99 K102 H103 A239 P272 H545	I63-L241 HydrophobicContact CD1-CD2 3.77Å; L99-L241 HydrophobicContact CD2-CD2 4.33Å; K102-L241 HydrophobicContact CB-CD1 3.66Å; H103-L241 HydrophobicContact CB-CD1 3.97Å; A239-L241 PolarHBondContact O-N 2.92Å; L241-P272 HydrophobicContact CB-CG 3.98Å; L241-P272 WeakPolarHBondContact O-CD 3.35Å; L241-H545 PolarHBondContact N-NE2 2.89Å
242	R	98.5	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.			trans	-120.6	139.2	-168.4	-49.4	-52.3	-62.2	-77.6	-4.4	112.7	W68 S69 M240 Y271 D279 D502	W68-R242 HydrophobicContact CD2-CB 4.09Å; W68-R242 HydrophobicContact CE3-CB 3.27Å; W68-R242 HydrophobicContact CE3-CG 4.18Å; W68-R242 HydrophobicContact CH2-CB 4.16Å; W68-R242 HydrophobicContact CH2-CG 4.27Å; W68-R242 HydrophobicContact CZ3-CB 3.34Å; W68-R242 HydrophobicContact CZ3-CG 3.93Å; S69-R242 PolarHBondContact N-O 3.39Å; M240-R242 WeakPolarHBondContact O-CG 3.4Å; M240-R242 PolarHBondContact O-N 3.01Å; R242-Y271 VanDerWaalsContact NE-CE1 3.35Å; R242-D279 IonicContact CZ-OD1 3.73Å; R242-D279 IonicContact CZ-OD2 2.82Å; R242-D279 IonicContact NH2-OD1 2.71Å; R242-D279 PolarHBondContact NH2-OD1 2.95Å; R242-D279 IonicContact NH2-OD2 3.46Å; R242-D279 PolarHBondContact NH2-OD2 3.23Å; R242-D502 IonicContact CZ-OD2 2.83Å; R242-D502 IonicContact NH1-OD2 3.78Å; R242-D502 PolarHBondContact NH1-OD2 3.05Å; R242-D502 IonicContact NH2-OD2 3.76Å; R242-D502 PolarHBondContact NH2-OD2 3.49Å
243	I	98.7	Very high	97.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.2	174	-51	-174.1	0	0	0	108.7	F59 S69 L71 T96 L99 K245 S270 P272	F59-I243 HydrophobicContact CE2-CD1 4.32Å; S69-I243 CarbonylContact O-C 3.4Å; S69-I243 WeakPolarHBondContact O-CA 3.37Å; L71-I243 HydrophobicContact CB-CG2 3.66Å; T96-I243 HydrophobicContact CG2-CD1 4.03Å; L99-I243 HydrophobicContact CD1-CD1 4.14Å; L99-I243 HydrophobicContact CD1-CG1 4.43Å; I243-K245 HydrophobicContact CB-CG 4.3Å; I243-K245 HydrophobicContact CG2-CG 3.79Å; I243-S270 PolarHBondContact N-O 3.37Å; I243-S270 CarbonylContact O-C 3.57Å; I243-S270 WeakPolarHBondContact O-CA 3.42Å; I243-S270 WeakPolarHBondContact O-CB 3.23Å; I243-S270 PolarHBondContact O-N 3.02Å; I243-P272 HydrophobicContact CD1-CB 4.1Å; I243-P272 HydrophobicContact CD1-CG 3.88Å; I243-P272 HydrophobicContact CG1-CG 4.09Å
244	M	98.6	Very high	97.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.9	162.8	-69.8	-60.7	-171	0	0	108.4	W68 S69 F70 L71 K504 M516 A518 V556 W558	W68-M244 HydrophobicContact CD2-CE 3.81Å; W68-M244 HydrophobicContact CD2-CG 4.13Å; W68-M244 HydrophobicContact CE3-CE 3.66Å; W68-M244 HydrophobicContact CE3-CG 3.75Å; W68-M244 HydrophobicContact CE3-SD 4.01Å; W68-M244 HydrophobicContact CG-CG 4.5Å; W68-M244 HydrophobicContact CH2-CE 3.61Å; W68-M244 HydrophobicContact CZ2-CE 3.72Å; W68-M244 HydrophobicContact CZ3-CE 3.53Å; W68-M244 HydrophobicContact CZ3-CG 4.32Å; W68-M244 HydrophobicContact CZ3-SD 3.96Å; S69-M244 PolarHBondContact O-N 3.12Å; F70-M244 WeakPolarHBondContact CA-O 3.29Å; F70-M244 HydrophobicContact CD1-CB 3.83Å; F70-M244 HydrophobicContact CD1-CG 4.34Å; F70-M244 HydrophobicContact CE1-CB 4.19Å; F70-M244 HydrophobicContact CE1-CG 4.2Å; L71-M244 PolarHBondContact N-O 3.35Å; M244-K504 HydrophobicContact CE-CG 4.13Å; M244-M516 HydrophobicContact CE-SD 3.95Å; M244-M516 HydrophobicContact SD-SD 3.94Å; M244-A518 HydrophobicContact CE-CB 3.27Å; M244-V556 HydrophobicContact CB-CG1 4.43Å; M244-V556 HydrophobicContact CE-CG2 4.26Å; M244-V556 HydrophobicContact CG-CG1 4.5Å; M244-V556 HydrophobicContact CG-CG2 4.18Å; M244-W558 HydrophobicContact CB-CH2 3.91Å
245	K	98.8	Very high	97.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.7	-175.9	-61.4	-172.1	-174.7	-178.8	0	110.7	L71 E92 I243 Y247 A267 F268 S270 Y271 S274	L71-K245 HydrophobicContact CB-CG 4.28Å; L71-K245 HydrophobicContact CD2-CD 4.13Å; L71-K245 HydrophobicContact CD2-CG 4.18Å; L71-K245 CarbonylContact O-C 3.51Å; L71-K245 WeakPolarHBondContact O-CA 3.38Å; E92-K245 IonicContact OE1-NZ 2.67Å; E92-K245 PolarHBondContact OE1-NZ 2.95Å; I243-K245 HydrophobicContact CB-CG 4.3Å; I243-K245 HydrophobicContact CG2-CG 3.79Å; K245-Y247 HydrophobicContact CB-CE1 4.43Å; K245-Y247 HydrophobicContact CD-CE1 4.39Å; K245-A267 CarbonylContact O-C 3.51Å; K245-A267 VanDerWaalsContact O-CA 3.27Å; K245-A267 WeakPolarHBondContact O-CA 3.41Å; K245-F268 HydrophobicContact CB-CD1 4.42Å; K245-F268 HydrophobicContact CB-CD2 4.38Å; K245-F268 HydrophobicContact CB-CE1 3.92Å; K245-F268 HydrophobicContact CB-CE2 3.9Å; K245-F268 HydrophobicContact CB-CZ 3.64Å; K245-F268 HydrophobicContact CD-CE2 3.99Å; K245-F268 HydrophobicContact CD-CZ 4.02Å; K245-F268 HydrophobicContact CG-CE2 4.36Å; K245-F268 HydrophobicContact CG-CZ 4.39Å; K245-F268 PolarHBondContact N-O 2.89Å; K245-F268 PolarHBondContact O-N 2.98Å; K245-S270 WeakPolarHBondContact CE-OG 3.18Å; K245-S270 PolarHBondContact NZ-OG 3.08Å; K245-Y271 WeakPolarHBondContact CE-O 3.4Å; K245-Y271 PolarHBondContact NZ-O 3.13Å; K245-S274 PolarHBondContact NZ-O 2.74Å
246	K	98.7	Very high	96.5	Very high	15 Å²	15	23.2 Å²	23.2	7%	0.065	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	113.6	166.7	178.2	175.4	159.1	-137.1	0	110	L71 E72 V73 I248 I265 Q266 A267 W558	L71-K246 PolarHBondContact O-N 3.21Å; E72-K246 CarbonylContact C-O 3.49Å; E72-K246 VanDerWaalsContact CA-O 3.28Å; E72-K246 WeakPolarHBondContact CA-O 3.3Å; E72-K246 HydrophobicContact CG-CB 4.26Å; E72-K246 IonicContact OE2-NZ 3.53Å; E72-K246 PolarHBondContact OE2-NZ 2.8Å; V73-K246 PolarHBondContact N-O 2.8Å; K246-I248 HydrophobicContact CG-CG1 4.3Å; K246-I265 HydrophobicContact CG-CG2 4.32Å; K246-Q266 CarbonylContact C-O 3.58Å; K246-Q266 VanDerWaalsContact CA-O 3.24Å; K246-Q266 WeakPolarHBondContact CA-O 3.46Å; K246-A267 HydrophobicContact CB-CB 4.41Å; K246-A267 HydrophobicContact CG-CB 4.47Å; K246-W558 HydrophobicContact CB-CD2 3.82Å; K246-W558 HydrophobicContact CB-CE3 3.72Å; K246-W558 HydrophobicContact CB-CH2 3.71Å; K246-W558 HydrophobicContact CB-CZ2 3.82Å; K246-W558 HydrophobicContact CB-CZ3 3.66Å; K246-W558 HydrophobicContact CD-CB 3.77Å; K246-W558 HydrophobicContact CD-CD2 3.41Å; K246-W558 VanDerWaalsContact CD-CD2 3.41Å; K246-W558 HydrophobicContact CD-CE3 3.92Å; K246-W558 HydrophobicContact CD-CG 3.31Å; K246-W558 HydrophobicContact CG-CD2 4.27Å; K246-W558 VanDerWaalsContact NZ-CB 3.31Å
247	Y	98.8	Very high	95.8	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.3	174	-65	-22.4	0	0	0	110.1	V73 E92 K245 F249 I265 Q266 F268	V73-Y247 HydrophobicContact CB-CD1 3.75Å; V73-Y247 HydrophobicContact CB-CE1 4.06Å; V73-Y247 HydrophobicContact CG2-CD1 4.04Å; V73-Y247 HydrophobicContact CG2-CE1 3.85Å; V73-Y247 CarbonylContact O-C 3.59Å; V73-Y247 WeakPolarHBondContact O-CA 3.49Å; E92-Y247 PolarHBondContact OE1-OH 2.9Å; E92-Y247 VanDerWaalsContact OE2-CE1 3.32Å; E92-Y247 WeakPolarHBondContact OE2-CE1 3.38Å; E92-Y247 VanDerWaalsContact OE2-CZ 3.25Å; E92-Y247 PolarHBondContact OE2-OH 3.3Å; K245-Y247 HydrophobicContact CB-CE1 4.43Å; K245-Y247 HydrophobicContact CD-CE1 4.39Å; Y247-F249 HydrophobicContact CD1-CE1 4.46Å; Y247-F249 HydrophobicContact CD1-CZ 4.1Å; Y247-F249 HydrophobicContact CD2-CE1 4.43Å; Y247-F249 AromaticContact CD2-CE2 3.57Å; Y247-F249 HydrophobicContact CD2-CE2 3.57Å; Y247-F249 AromaticContact CD2-CZ 3.41Å; Y247-F249 HydrophobicContact CD2-CZ 3.41Å; Y247-F249 VanDerWaalsContact CD2-CZ 3.41Å; Y247-F249 HydrophobicContact CE2-CE2 4.43Å; Y247-F249 HydrophobicContact CE2-CZ 4.07Å; Y247-F249 HydrophobicContact CG-CE1 4.03Å; Y247-F249 AromaticContact CG-CE2 3.84Å; Y247-F249 HydrophobicContact CG-CE2 3.84Å; Y247-F249 AromaticContact CG-CZ 3.41Å; Y247-F249 HydrophobicContact CG-CZ 3.41Å; Y247-F249 VanDerWaalsContact CG-CZ 3.41Å; Y247-I265 CarbonylContact O-C 3.51Å; Y247-I265 VanDerWaalsContact O-CA 3.23Å; Y247-I265 WeakPolarHBondContact O-CA 3.25Å; Y247-Q266 PolarHBondContact N-O 2.81Å; Y247-Q266 PolarHBondContact O-N 2.77Å; Y247-F268 AromaticContact CD2-CE1 3.7Å; Y247-F268 HydrophobicContact CD2-CE1 3.7Å; Y247-F268 AromaticContact CD2-CZ 3.86Å; Y247-F268 HydrophobicContact CD2-CZ 3.86Å; Y247-F268 AromaticContact CE2-CE1 3.85Å; Y247-F268 HydrophobicContact CE2-CE1 3.85Å; Y247-F268 AromaticContact CE2-CZ 3.49Å; Y247-F268 HydrophobicContact CE2-CZ 3.49Å; Y247-F268 VanDerWaalsContact CE2-CZ 3.49Å; Y247-F268 HydrophobicContact CG-CE1 4.21Å; Y247-F268 AromaticContact CZ-CZ 3.92Å
248	I	98.6	Very high	95.2	Very high	48 Å²	48	31.7 Å²	31.7	25%	0.246	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	84.9	176.9	-52.3	174.7	0	0	0	106.9	V73 T74 T75 K246 I265	V73-I248 PolarHBondContact O-N 3.15Å; T74-I248 WeakPolarHBondContact CA-O 3.17Å; T74-I248 HydrophobicContact CG2-CB 4.22Å; T74-I248 HydrophobicContact CG2-CG2 4.26Å; T75-I248 PolarHBondContact N-O 2.91Å; K246-I248 HydrophobicContact CG-CG1 4.3Å; I248-I265 HydrophobicContact CG1-CG2 4.3Å; I248-I265 HydrophobicContact CG2-CD1 4.45Å; I248-I265 HydrophobicContact CG2-CG1 4.2Å
249	F	98.5	Very high	94.9	Very high	5 Å²	5	34 Å²	34	2%	0.022	18%	0.182	C	C	.	.			trans	-93.4	136.3	-175	-62.5	-34.3	0	0	0	112.2	V73 T75 A88 Y247 F251 R264	V73-F249 HydrophobicContact CG1-CE1 4.39Å; T75-F249 HydrophobicContact CG2-CD1 3.74Å; T75-F249 HydrophobicContact CG2-CE1 4.17Å; T75-F249 WeakPolarHBondContact OG1-CA 3.41Å; A88-F249 HydrophobicContact CB-CE1 3.79Å; A88-F249 HydrophobicContact CB-CZ 4.37Å; Y247-F249 HydrophobicContact CD1-CE1 4.46Å; Y247-F249 HydrophobicContact CD1-CZ 4.1Å; Y247-F249 HydrophobicContact CD2-CE1 4.43Å; Y247-F249 AromaticContact CD2-CE2 3.57Å; Y247-F249 HydrophobicContact CD2-CE2 3.57Å; Y247-F249 AromaticContact CD2-CZ 3.41Å; Y247-F249 HydrophobicContact CD2-CZ 3.41Å; Y247-F249 VanDerWaalsContact CD2-CZ 3.41Å; Y247-F249 HydrophobicContact CE2-CE2 4.43Å; Y247-F249 HydrophobicContact CE2-CZ 4.07Å; Y247-F249 HydrophobicContact CG-CE1 4.03Å; Y247-F249 AromaticContact CG-CE2 3.84Å; Y247-F249 HydrophobicContact CG-CE2 3.84Å; Y247-F249 AromaticContact CG-CZ 3.41Å; Y247-F249 HydrophobicContact CG-CZ 3.41Å; Y247-F249 VanDerWaalsContact CG-CZ 3.41Å; F249-F251 VanDerWaalsContact C-N 3.27Å; F249-F251 HydrophobicContact CB-CD1 4.1Å; F249-F251 HydrophobicContact CB-CD2 3.74Å; F249-F251 HydrophobicContact CB-CE1 4.14Å; F249-F251 HydrophobicContact CB-CE2 3.81Å; F249-F251 HydrophobicContact CB-CG 3.88Å; F249-F251 HydrophobicContact CB-CZ 4Å; F249-F251 HydrophobicContact CD1-CE1 4.31Å; F249-F251 HydrophobicContact CD1-CE2 4.15Å; F249-F251 AromaticContact CD1-CZ 3.8Å; F249-F251 HydrophobicContact CD1-CZ 3.8Å; F249-F251 AromaticContact CD2-CD2 3.9Å; F249-F251 HydrophobicContact CD2-CD2 3.9Å; F249-F251 AromaticContact CD2-CE2 3.35Å; F249-F251 HydrophobicContact CD2-CE2 3.35Å; F249-F251 AromaticContact CD2-CZ 3.88Å; F249-F251 HydrophobicContact CD2-CZ 3.88Å; F249-F251 HydrophobicContact CE1-CZ 4.2Å; F249-F251 AromaticContact CE2-CE2 3.86Å; F249-F251 HydrophobicContact CE2-CE2 3.86Å; F249-F251 HydrophobicContact CE2-CZ 4.26Å; F249-F251 AromaticContact CG-CD2 3.97Å; F249-F251 HydrophobicContact CG-CD2 3.97Å; F249-F251 HydrophobicContact CG-CE1 4.2Å; F249-F251 AromaticContact CG-CE2 3.51Å; F249-F251 HydrophobicContact CG-CE2 3.51Å; F249-F251 HydrophobicContact CG-CG 4.49Å; F249-F251 AromaticContact CG-CZ 3.62Å; F249-F251 HydrophobicContact CG-CZ 3.62Å; F249-F251 HydrophobicContact CZ-CE2 4.44Å; F249-F251 HydrophobicContact CZ-CZ 4.4Å; F249-R264 PolarHBondContact N-O 2.91Å; F249-R264 VanDerWaalsContact O-CB 3.26Å; F249-R264 WeakPolarHBondContact O-CB 3.47Å
250	A	97.6	Very high	94.7	Very high	29 Å²	29	37.7 Å²	37.7	24%	0.24	21%	0.206	C	C	.	.			trans	-95.4	28.8	170.8	0	0	0	0	0	112.5	T75 S77 Q84	T75-A250 PolarHBondContact OG1-N 2.87Å; S77-A250 VanDerWaalsContact N-CB 3.35Å; Q84-A250 PolarHBondContact NE2-O 3.42Å; Q84-A250 PolarHBondContact OE1-O 3.4Å
251	F	97	Very high	94.6	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.013	21%	0.206	C	C	.	.			trans	-68.8	158.3	174.6	-54.3	-20.2	0	0	0	111.1	T75 D81 Q84 A85 L154 F249 L261	T75-F251 HydrophobicContact CG2-CE1 4.28Å; D81-F251 HydrophobicContact CB-CD1 4.3Å; Q84-F251 HydrophobicContact CB-CD1 4.05Å; Q84-F251 HydrophobicContact CB-CE1 3.6Å; A85-F251 HydrophobicContact CB-CE1 4.1Å; A85-F251 HydrophobicContact CB-CE2 4.47Å; A85-F251 HydrophobicContact CB-CZ 3.77Å; L154-F251 HydrophobicContact CD1-CB 4.1Å; L154-F251 HydrophobicContact CD1-CD1 4.41Å; L154-F251 HydrophobicContact CD1-CD2 3.82Å; L154-F251 HydrophobicContact CD1-CE2 4.38Å; L154-F251 HydrophobicContact CD1-CG 3.85Å; F249-F251 VanDerWaalsContact C-N 3.27Å; F249-F251 HydrophobicContact CB-CD1 4.1Å; F249-F251 HydrophobicContact CB-CD2 3.74Å; F249-F251 HydrophobicContact CB-CE1 4.14Å; F249-F251 HydrophobicContact CB-CE2 3.81Å; F249-F251 HydrophobicContact CB-CG 3.88Å; F249-F251 HydrophobicContact CB-CZ 4Å; F249-F251 HydrophobicContact CD1-CE1 4.31Å; F249-F251 HydrophobicContact CD1-CE2 4.15Å; F249-F251 AromaticContact CD1-CZ 3.8Å; F249-F251 HydrophobicContact CD1-CZ 3.8Å; F249-F251 AromaticContact CD2-CD2 3.9Å; F249-F251 HydrophobicContact CD2-CD2 3.9Å; F249-F251 AromaticContact CD2-CE2 3.35Å; F249-F251 HydrophobicContact CD2-CE2 3.35Å; F249-F251 AromaticContact CD2-CZ 3.88Å; F249-F251 HydrophobicContact CD2-CZ 3.88Å; F249-F251 HydrophobicContact CE1-CZ 4.2Å; F249-F251 AromaticContact CE2-CE2 3.86Å; F249-F251 HydrophobicContact CE2-CE2 3.86Å; F249-F251 HydrophobicContact CE2-CZ 4.26Å; F249-F251 AromaticContact CG-CD2 3.97Å; F249-F251 HydrophobicContact CG-CD2 3.97Å; F249-F251 HydrophobicContact CG-CE1 4.2Å; F249-F251 AromaticContact CG-CE2 3.51Å; F249-F251 HydrophobicContact CG-CE2 3.51Å; F249-F251 HydrophobicContact CG-CG 4.49Å; F249-F251 AromaticContact CG-CZ 3.62Å; F249-F251 HydrophobicContact CG-CZ 3.62Å; F249-F251 HydrophobicContact CZ-CE2 4.44Å; F249-F251 HydrophobicContact CZ-CZ 4.4Å; F251-L261 HydrophobicContact CB-CD2 4.17Å; F251-L261 HydrophobicContact CD2-CD2 4.32Å; F251-L261 WeakPolarHBondContact O-CB 3.19Å; F251-L261 PolarHBondContact O-N 3.12Å
252	K	96.8	Very high	94.5	Very high	72 Å²	72	39.4 Å²	39.4	31%	0.313	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-100.5	158.9	173	-58.9	171.6	-176.7	-175.1	0	110.3	D81 Q151 S254 E257 N258 D259	D81-K252 WeakPolarHBondContact OD2-CB 3.45Å; D81-K252 PolarHBondContact OD2-N 3.32Å; Q151-K252 PolarHBondContact NE2-O 2.92Å; K252-S254 VanDerWaalsContact C-N 3.34Å; K252-E257 WeakPolarHBondContact CD-O 3.4Å; K252-N258 WeakPolarHBondContact CE-OD1 3.48Å; K252-N258 PolarHBondContact NZ-OD1 2.99Å; K252-D259 WeakPolarHBondContact CA-O 3.32Å
253	T	95.3	Very high	94.5	Very high	27 Å²	27	39.4 Å²	39.4	17%	0.166	22%	0.217	C	C	.	.	S	Bend	trans	-61.1	-45	175.8	-61.9	0	0	0	0	111.6	P147 Q151 D259 P260 L324	P147-T253 HydrophobicContact CB-CG2 4.31Å; Q151-T253 PolarHBondContact NE2-O 3.28Å; Q151-T253 VanDerWaalsContact NE2-O 3.11Å; T253-D259 PolarHBondContact N-O 3.37Å; T253-D259 VanDerWaalsContact N-O 3.1Å; T253-P260 PolarHBondContact OG1-O 3.01Å; T253-L324 HydrophobicContact CG2-CD2 3.83Å
254	S	93.6	Very high	94.5	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.014	24%	0.24	C	C	.	.	S	Bend	trans	-137.1	162.5	-177.6	81.2	0	0	0	0	110.5	K252 L256 E257	K252-S254 VanDerWaalsContact C-N 3.34Å; S254-L256 PolarHBondContact O-N 3.31Å; S254-L256 PolarHBondContact OG-N 2.94Å; S254-E257 WeakPolarHBondContact OG-CB 3.46Å; S254-E257 PolarHBondContact OG-N 2.86Å; S254-E257 VanDerWaalsContact OG-N 3.11Å; S254-E257 PolarHBondContact OG-OE2 3.33Å
255	P	87.8	Confident	94.5	Very high	62 Å²	62	46.8 Å²	46.8	40%	0.403	25%	0.246	S	C	.	.	S	Bend	trans	-75.5	-12.9	178	27.8	-29.6	0	0	0	112.9	P144	P144-P255 WeakPolarHBondContact O-CG 3.47Å
256	L	85.1	Confident	94.5	Very high	126 Å²	126	47.1 Å²	47.1	66%	0.66	25%	0.248	S	C	*	.	S	Bend	trans	-95.8	-34.2	-177.2	-62.3	-178.1	0	0	0	112.8	T145 S254	T145-L256 HydrophobicContact CG2-CD1 3.65Å; T145-L256 HydrophobicContact CG2-CD2 4.3Å; T145-L256 HydrophobicContact CG2-CG 4.18Å; S254-L256 PolarHBondContact O-N 3.31Å; S254-L256 PolarHBondContact OG-N 2.94Å
257	E	81.1	Confident	94.5	Very high	95 Å²	95	46.4 Å²	46.4	44%	0.444	25%	0.245	S	C	.	.			trans	-98.2	154.8	-176.1	-65.8	155.8	165.3	0	0	110.5	K252 S254 D259	K252-E257 WeakPolarHBondContact CD-O 3.4Å; S254-E257 WeakPolarHBondContact OG-CB 3.46Å; S254-E257 PolarHBondContact OG-N 2.86Å; S254-E257 VanDerWaalsContact OG-N 3.11Å; S254-E257 PolarHBondContact OG-OE2 3.33Å; E257-D259 VanDerWaalsContact C-N 3.3Å; E257-D259 HydrophobicContact CB-CB 4.48Å
258	N	84.1	Confident	94.5	Very high	130 Å²	130	46.3 Å²	46.3	70%	0.695	24%	0.244	S	C	*	.			trans	-96.1	15.2	172.8	-73.5	-39.2	0	0	0	112.2	K252	K252-N258 WeakPolarHBondContact CE-OD1 3.48Å; K252-N258 PolarHBondContact NZ-OD1 2.99Å
259	D	91.4	Very high	94.5	Very high	91 Å²	91	44 Å²	44	49%	0.487	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-68.4	130.1	-179.5	-67.5	-30.2	0	0	0	110.3	K252 T253 E257	K252-D259 WeakPolarHBondContact CA-O 3.32Å; T253-D259 PolarHBondContact N-O 3.37Å; T253-D259 VanDerWaalsContact N-O 3.1Å; E257-D259 VanDerWaalsContact C-N 3.3Å; E257-D259 HydrophobicContact CB-CB 4.48Å
260	P	93.1	Very high	94.5	Very high	84 Å²	84	43.8 Å²	43.8	55%	0.545	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-65.5	142.5	178.4	28.5	-33.9	0	0	0	109.8	T253 P262	T253-P260 PolarHBondContact OG1-O 3.01Å; P260-P262 WeakPolarHBondContact O-CD 3.33Å
261	L	95.8	Very high	94.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-60.3	126.2	176.2	-173.7	69.8	0	0	0	111	F251 G263 R264 R323 L324	F251-L261 HydrophobicContact CB-CD2 4.17Å; F251-L261 HydrophobicContact CD2-CD2 4.32Å; F251-L261 WeakPolarHBondContact O-CB 3.19Å; F251-L261 PolarHBondContact O-N 3.12Å; L261-G263 PolarHBondContact O-N 2.86Å; L261-R264 HydrophobicContact CB-CB 4.22Å; L261-R264 WeakPolarHBondContact O-CB 3.32Å; L261-R264 VanDerWaalsContact O-CG 3.25Å; L261-R264 WeakPolarHBondContact O-CG 3.41Å; L261-R264 PolarHBondContact O-N 3.16Å; L261-R264 VanDerWaalsContact O-N 3.14Å; L261-R323 HydrophobicContact CD1-CB 4.02Å; L261-R323 VanDerWaalsContact CD1-O 3.22Å; L261-R323 WeakPolarHBondContact CD1-O 3.38Å; L261-R323 HydrophobicContact CD2-CB 3.86Å; L261-R323 HydrophobicContact CD2-CG 3.87Å; L261-R323 HydrophobicContact CG-CB 4.25Å; L261-R323 VanDerWaalsContact CG-O 3.3Å; L261-R323 WeakPolarHBondContact CG-O 3.18Å; L261-L324 HydrophobicContact CD1-CD2 3.98Å
262	P	97.8	Very high	94.6	Very high	34 Å²	34	42.9 Å²	42.9	22%	0.221	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-47.8	-179.1	-30.5	38.4	0	0	0	113.8	P260 R264 S285 S286 L324 T326	P260-P262 WeakPolarHBondContact O-CD 3.33Å; P262-R264 VanDerWaalsContact C-N 3.25Å; P262-R264 PolarHBondContact O-N 2.89Å; P262-S285 PolarHBondContact O-OG 2.96Å; P262-S286 PolarHBondContact O-N 3.42Å; P262-L324 WeakPolarHBondContact CG-O 3.49Å; P262-T326 HydrophobicContact CB-CG2 3.82Å; P262-T326 HydrophobicContact CG-CG2 3.8Å
263	G	98	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	36	175.5	0	0	0	0	0	113.8	L261 I265 Q266 N322 R323	L261-G263 PolarHBondContact O-N 2.86Å; G263-I265 VanDerWaalsContact C-N 3.29Å; G263-I265 PolarHBondContact O-N 3.13Å; G263-Q266 WeakPolarHBondContact O-CG 3.31Å; G263-Q266 PolarHBondContact O-NE2 3.08Å; G263-N322 WeakPolarHBondContact CA-O 3.15Å; G263-R323 PolarHBondContact N-O 3.09Å
264	R	97.9	Very high	94.8	Very high	131 Å²	131	38.4 Å²	38.4	49%	0.494	20%	0.201	S	C	.	.			trans	-60.8	-30.8	180	56.4	172.6	-169.5	164.4	2.8	114.9	F249 L261 P262 S285	F249-R264 PolarHBondContact N-O 2.91Å; F249-R264 VanDerWaalsContact O-CB 3.26Å; F249-R264 WeakPolarHBondContact O-CB 3.47Å; L261-R264 HydrophobicContact CB-CB 4.22Å; L261-R264 WeakPolarHBondContact O-CB 3.32Å; L261-R264 VanDerWaalsContact O-CG 3.25Å; L261-R264 WeakPolarHBondContact O-CG 3.41Å; L261-R264 PolarHBondContact O-N 3.16Å; L261-R264 VanDerWaalsContact O-N 3.14Å; P262-R264 VanDerWaalsContact C-N 3.25Å; P262-R264 PolarHBondContact O-N 2.89Å; R264-S285 PolarHBondContact N-OG 3.44Å; R264-S285 VanDerWaalsContact N-OG 3.11Å
265	I	98.6	Very high	95.1	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.7	172.2	-50.1	178.5	0	0	0	108.7	K246 Y247 I248 G263 L284 S285 Y514	K246-I265 HydrophobicContact CG-CG2 4.32Å; Y247-I265 CarbonylContact O-C 3.51Å; Y247-I265 VanDerWaalsContact O-CA 3.23Å; Y247-I265 WeakPolarHBondContact O-CA 3.25Å; I248-I265 HydrophobicContact CG1-CG2 4.3Å; I248-I265 HydrophobicContact CG2-CD1 4.45Å; I248-I265 HydrophobicContact CG2-CG1 4.2Å; G263-I265 VanDerWaalsContact C-N 3.29Å; G263-I265 PolarHBondContact O-N 3.13Å; I265-L284 CarbonylContact O-C 3.59Å; I265-L284 WeakPolarHBondContact O-CA 3.27Å; I265-S285 PolarHBondContact N-OG 2.98Å; I265-S285 PolarHBondContact O-N 2.79Å; I265-S285 PolarHBondContact O-OG 3.31Å; I265-Y514 HydrophobicContact CB-CD1 4.46Å; I265-Y514 HydrophobicContact CB-CE1 3.84Å; I265-Y514 HydrophobicContact CD1-CE2 4.13Å; I265-Y514 HydrophobicContact CG2-CD1 3.82Å; I265-Y514 HydrophobicContact CG2-CD2 4.21Å; I265-Y514 HydrophobicContact CG2-CE1 3.66Å; I265-Y514 HydrophobicContact CG2-CE2 4.04Å; I265-Y514 HydrophobicContact CG2-CG 4.12Å
266	Q	98.6	Very high	95.6	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	118.7	-178.9	-51.1	-177.3	38	0	0	108.7	K246 Y247 G263 F268 I283 L284	K246-Q266 CarbonylContact C-O 3.58Å; K246-Q266 VanDerWaalsContact CA-O 3.24Å; K246-Q266 WeakPolarHBondContact CA-O 3.46Å; Y247-Q266 PolarHBondContact N-O 2.81Å; Y247-Q266 PolarHBondContact O-N 2.77Å; G263-Q266 WeakPolarHBondContact O-CG 3.31Å; G263-Q266 PolarHBondContact O-NE2 3.08Å; Q266-F268 HydrophobicContact CB-CD1 4.14Å; Q266-F268 HydrophobicContact CB-CE1 4.33Å; Q266-I283 WeakPolarHBondContact CA-O 3.43Å; Q266-L284 HydrophobicContact CB-CD2 3.97Å; Q266-L284 HydrophobicContact CG-CD2 3.67Å
267	A	98.6	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.4	170.4	0	0	0	0	0	110.1	K245 K246 I283 Y514 M516 W558	K245-A267 CarbonylContact O-C 3.51Å; K245-A267 VanDerWaalsContact O-CA 3.27Å; K245-A267 WeakPolarHBondContact O-CA 3.41Å; K246-A267 HydrophobicContact CB-CB 4.41Å; K246-A267 HydrophobicContact CG-CB 4.47Å; A267-I283 HydrophobicContact CB-CB 4.43Å; A267-I283 PolarHBondContact N-O 2.92Å; A267-I283 PolarHBondContact O-N 2.83Å; A267-Y514 WeakPolarHBondContact CB-O 3.2Å; A267-M516 HydrophobicContact CB-CE 4.38Å; A267-W558 HydrophobicContact CB-CZ2 3.95Å
268	F	98.9	Very high	96.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.5	-171.3	59.6	-83.1	0	0	0	112.5	K245 Y247 Q266 F281 Y282	K245-F268 HydrophobicContact CB-CD1 4.42Å; K245-F268 HydrophobicContact CB-CD2 4.38Å; K245-F268 HydrophobicContact CB-CE1 3.92Å; K245-F268 HydrophobicContact CB-CE2 3.9Å; K245-F268 HydrophobicContact CB-CZ 3.64Å; K245-F268 HydrophobicContact CD-CE2 3.99Å; K245-F268 HydrophobicContact CD-CZ 4.02Å; K245-F268 HydrophobicContact CG-CE2 4.36Å; K245-F268 HydrophobicContact CG-CZ 4.39Å; K245-F268 PolarHBondContact N-O 2.89Å; K245-F268 PolarHBondContact O-N 2.98Å; Y247-F268 AromaticContact CD2-CE1 3.7Å; Y247-F268 HydrophobicContact CD2-CE1 3.7Å; Y247-F268 AromaticContact CD2-CZ 3.86Å; Y247-F268 HydrophobicContact CD2-CZ 3.86Å; Y247-F268 AromaticContact CE2-CE1 3.85Å; Y247-F268 HydrophobicContact CE2-CE1 3.85Å; Y247-F268 AromaticContact CE2-CZ 3.49Å; Y247-F268 HydrophobicContact CE2-CZ 3.49Å; Y247-F268 VanDerWaalsContact CE2-CZ 3.49Å; Y247-F268 HydrophobicContact CG-CE1 4.21Å; Y247-F268 AromaticContact CZ-CZ 3.92Å; Q266-F268 HydrophobicContact CB-CD1 4.14Å; Q266-F268 HydrophobicContact CB-CE1 4.33Å; F268-F281 VanDerWaalsContact CA-O 3.27Å; F268-F281 WeakPolarHBondContact CA-O 3.23Å; F268-F281 WeakPolarHBondContact CB-O 3.47Å; F268-Y282 HydrophobicContact CB-CD1 3.43Å; F268-Y282 VanDerWaalsContact CB-CD1 3.43Å; F268-Y282 HydrophobicContact CB-CE1 3.85Å; F268-Y282 HydrophobicContact CB-CG 3.99Å; F268-Y282 AromaticContact CD1-CD1 3.95Å; F268-Y282 HydrophobicContact CD1-CD1 3.95Å; F268-Y282 HydrophobicContact CD1-CE1 4.08Å; F268-Y282 HydrophobicContact CD2-CD1 4.4Å; F268-Y282 AromaticContact CD2-CE1 3.98Å; F268-Y282 HydrophobicContact CD2-CE1 3.98Å; F268-Y282 AromaticContact CG-CD1 3.69Å; F268-Y282 HydrophobicContact CG-CD1 3.69Å; F268-Y282 AromaticContact CG-CE1 3.71Å; F268-Y282 HydrophobicContact CG-CE1 3.71Å
269	S	98.6	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.5	171	58.1	0	0	0	0	110.1	S277 D279 K504	S269-S277 WeakPolarHBondContact O-CA 3.3Å; S269-S277 WeakPolarHBondContact O-CB 3.35Å; S269-S277 PolarHBondContact O-OG 2.75Å; S269-D279 WeakPolarHBondContact CB-OD2 3.16Å; S269-D279 PolarHBondContact OG-OD2 3.33Å; S269-K504 WeakPolarHBondContact OG-CD 3.14Å; S269-K504 WeakPolarHBondContact OG-CE 3.16Å; S269-K504 PolarHBondContact OG-NZ 2.92Å
270	S	98.8	Very high	97.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-168.3	-172.3	-172	0	0	0	0	111.5	I243 K245 S274 F276	I243-S270 PolarHBondContact N-O 3.37Å; I243-S270 CarbonylContact O-C 3.57Å; I243-S270 WeakPolarHBondContact O-CA 3.42Å; I243-S270 WeakPolarHBondContact O-CB 3.23Å; I243-S270 PolarHBondContact O-N 3.02Å; K245-S270 WeakPolarHBondContact CE-OG 3.18Å; K245-S270 PolarHBondContact NZ-OG 3.08Å; S270-S274 PolarHBondContact OG-O 2.76Å; S270-S274 VanDerWaalsContact OG-O 3.09Å; S270-F276 PolarHBondContact OG-O 2.7Å
271	Y	98.8	Very high	97.7	Very high	12 Å²	12	11.7 Å²	11.7	5%	0.047	6%	0.058	C	C	.	.			trans	-131.9	157.6	-175.9	-57.2	-91.4	0	0	0	110.3	H103 N235 A239 R242 K245 G273 S274 S277 D279	H103-Y271 AromaticContact CE1-CD1 3.76Å; N235-Y271 PolarHBondContact ND2-OH 3.13Å; A239-Y271 HydrophobicContact CB-CE1 4.02Å; A239-Y271 VanDerWaalsContact O-CD1 3.23Å; A239-Y271 WeakPolarHBondContact O-CD1 3.3Å; A239-Y271 WeakPolarHBondContact O-CE1 3.41Å; R242-Y271 VanDerWaalsContact NE-CE1 3.35Å; K245-Y271 WeakPolarHBondContact CE-O 3.4Å; K245-Y271 PolarHBondContact NZ-O 3.13Å; Y271-G273 PolarHBondContact O-N 2.64Å; Y271-S274 PolarHBondContact O-N 2.65Å; Y271-S277 WeakPolarHBondContact CD2-O 3.35Å; Y271-S277 WeakPolarHBondContact CE2-O 3.32Å; Y271-D279 WeakPolarHBondContact CE2-OD1 3.31Å; Y271-D279 PolarHBondContact OH-OD1 3.05Å
272	P	98.6	Very high	97.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	126.5	171.3	-22	31.9	0	0	0	111.6	L99 M100 H103 L241 I243 S274	L99-P272 HydrophobicContact CB-CB 3.88Å; L99-P272 HydrophobicContact CB-CG 3.78Å; M100-P272 HydrophobicContact CG-CB 4.09Å; H103-P272 HydrophobicContact CB-CB 3.92Å; H103-P272 HydrophobicContact CB-CG 3.98Å; H103-P272 PolarHBondContact CD2-O 3.47Å; L241-P272 HydrophobicContact CB-CG 3.98Å; L241-P272 WeakPolarHBondContact O-CD 3.35Å; I243-P272 HydrophobicContact CD1-CB 4.1Å; I243-P272 HydrophobicContact CD1-CG 3.88Å; I243-P272 HydrophobicContact CG1-CG 4.09Å; P272-S274 VanDerWaalsContact C-N 3.28Å; P272-S274 PolarHBondContact O-N 3.47Å
273	G	97.9	Very high	97.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-18.6	178.2	0	0	0	0	0	115.8	L162 Q188 Y271	L162-G273 VanDerWaalsContact CD2-O 3.23Å; L162-G273 WeakPolarHBondContact CD2-O 3.14Å; Q188-G273 PolarHBondContact NE2-O 2.69Å; Y271-G273 PolarHBondContact O-N 2.64Å
274	S	98.4	Very high	97.9	Very high	6 Å²	6	10.1 Å²	10.1	4%	0.042	5%	0.047	C	C	.	.			trans	-80.8	116.1	174.2	-58.2	0	0	0	0	110.7	F187 Q188 K245 S270 Y271 P272 F276	F187-S274 PolarHBondContact O-OG 3.09Å; Q188-S274 VanDerWaalsContact OE1-CA 3.31Å; K245-S274 PolarHBondContact NZ-O 2.74Å; S270-S274 PolarHBondContact OG-O 2.76Å; S270-S274 VanDerWaalsContact OG-O 3.09Å; Y271-S274 PolarHBondContact O-N 2.65Å; P272-S274 VanDerWaalsContact C-N 3.28Å; P272-S274 PolarHBondContact O-N 3.47Å; S274-F276 PolarHBondContact O-N 3.43Å
275	I	98.6	Very high	97.9	Very high	4 Å²	4	5.5 Å²	5.5	2%	0.021	4%	0.035	C	C	.	.	S	Bend	trans	-81.8	10.8	-179.3	63.5	156.1	0	0	0	113.3	Q158 I159 L162 W315 I319	Q158-I275 HydrophobicContact CB-CD1 4.09Å; Q158-I275 HydrophobicContact CG-CD1 4.13Å; Q158-I275 HydrophobicContact CG-CG2 4.18Å; I159-I275 HydrophobicContact CD1-CD1 4.13Å; I159-I275 HydrophobicContact CG1-CD1 3.55Å; I159-I275 HydrophobicContact CG1-CG1 4.05Å; L162-I275 HydrophobicContact CD2-CG2 4.21Å; I275-W315 HydrophobicContact CD1-CZ3 4.36Å; I275-I319 HydrophobicContact CD1-CD1 4Å; I275-I319 HydrophobicContact CG1-CD1 4.2Å
276	F	98.5	Very high	97.9	Very high	6 Å²	6	5.1 Å²	5.1	3%	0.026	3%	0.034	C	C	.	.	S	Bend	trans	-141.1	179.5	176.8	88.3	-60	0	0	0	109.1	Q188 S270 S274 Y282 W315 I319	Q188-F276 HydrophobicContact CB-CE1 4.39Å; Q188-F276 VanDerWaalsContact O-CE1 3.26Å; Q188-F276 WeakPolarHBondContact O-CE1 3.36Å; Q188-F276 WeakPolarHBondContact O-CZ 3.38Å; S270-F276 PolarHBondContact OG-O 2.7Å; S274-F276 PolarHBondContact O-N 3.43Å; F276-Y282 WeakPolarHBondContact CB-OH 3.23Å; F276-Y282 WeakPolarHBondContact CD2-OH 3.23Å; F276-W315 HydrophobicContact CD1-CB 4.32Å; F276-W315 HydrophobicContact CD2-CB 4.11Å; F276-W315 HydrophobicContact CE1-CB 4.03Å; F276-W315 HydrophobicContact CE2-CB 3.77Å; F276-W315 HydrophobicContact CG-CB 4.37Å; F276-W315 HydrophobicContact CZ-CB 3.73Å; F276-I319 HydrophobicContact CB-CD1 4.03Å; F276-I319 HydrophobicContact CB-CG1 3.91Å
277	S	98.3	Very high	97.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.034	C	C	.	.			trans	-73.6	-52	-170.9	-178	0	0	0	0	112.4	S269 Y271 D279 D280 F281 Y282	S269-S277 WeakPolarHBondContact O-CA 3.3Å; S269-S277 WeakPolarHBondContact O-CB 3.35Å; S269-S277 PolarHBondContact O-OG 2.75Å; Y271-S277 WeakPolarHBondContact CD2-O 3.35Å; Y271-S277 WeakPolarHBondContact CE2-O 3.32Å; S277-D279 PolarHBondContact O-N 3.17Å; S277-D280 WeakPolarHBondContact OG-CA 3.46Å; S277-D280 PolarHBondContact OG-N 3.33Å; S277-F281 PolarHBondContact OG-N 2.83Å; S277-Y282 VanDerWaalsContact CB-CE2 3.49Å; S277-Y282 VanDerWaalsContact CB-OH 3.3Å; S277-Y282 WeakPolarHBondContact CB-OH 3.5Å; S277-Y282 PolarHBondContact N-OH 3.33Å
278	G	94.1	Very high	97.9	Very high	18 Å²	18	4.9 Å²	4.9	19%	0.186	3%	0.034	C	C	.	.	S	Bend	trans	76.1	-38.2	-175.8	0	0	0	0	0	113	D280 Y343	G278-D280 VanDerWaalsContact C-N 3.27Å; G278-D280 PolarHBondContact N-OD1 3.33Å; G278-Y343 PolarHBondContact O-OH 3.29Å
279	D	91.8	Very high	97.9	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.034	C	C	.	.	S	Bend	trans	-67.9	-36.2	159.6	-56.5	-5.8	0	0	0	111.9	H231 T233 R242 S269 Y271 S277 D502 K504	H231-D279 PolarHBondContact CE1-O 3.05Å; H231-D279 VanDerWaalsContact CE1-O 3.22Å; H231-D279 PolarHBondContact NE2-O 3.44Å; T233-D279 HydrophobicContact CG2-CB 4.08Å; T233-D279 WeakPolarHBondContact CG2-OD1 3.28Å; T233-D279 VanDerWaalsContact OG1-CB 3.23Å; T233-D279 WeakPolarHBondContact OG1-CB 3.49Å; T233-D279 PolarHBondContact OG1-OD1 3.02Å; T233-D279 PolarHBondContact OG1-OD2 3.23Å; T233-D279 VanDerWaalsContact OG1-OD2 3.13Å; R242-D279 IonicContact CZ-OD1 3.73Å; R242-D279 IonicContact CZ-OD2 2.82Å; R242-D279 IonicContact NH2-OD1 2.71Å; R242-D279 PolarHBondContact NH2-OD1 2.95Å; R242-D279 IonicContact NH2-OD2 3.46Å; R242-D279 PolarHBondContact NH2-OD2 3.23Å; S269-D279 WeakPolarHBondContact CB-OD2 3.16Å; S269-D279 PolarHBondContact OG-OD2 3.33Å; Y271-D279 WeakPolarHBondContact CE2-OD1 3.31Å; Y271-D279 PolarHBondContact OH-OD1 3.05Å; S277-D279 PolarHBondContact O-N 3.17Å; D279-D502 VanDerWaalsContact OD2-OD2 3.04Å; D279-K504 VanDerWaalsContact CB-NZ 3.33Å; D279-K504 IonicContact OD2-NZ 3.64Å; D279-K504 PolarHBondContact OD2-NZ 3.49Å
280	D	95.8	Very high	97.9	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.034	C	C	.	.			trans	61	82.2	-166.8	-63.6	-29.7	0	0	0	114.6	S277 G278 Y282 L291 E292 N318 W347	S277-D280 WeakPolarHBondContact OG-CA 3.46Å; S277-D280 PolarHBondContact OG-N 3.33Å; G278-D280 VanDerWaalsContact C-N 3.27Å; G278-D280 PolarHBondContact N-OD1 3.33Å; D280-Y282 HydrophobicContact CB-CE2 4.07Å; D280-Y282 WeakPolarHBondContact OD1-CE2 3.4Å; D280-Y282 PolarHBondContact OD1-OH 3.2Å; D280-L291 WeakPolarHBondContact O-CA 3.46Å; D280-L291 WeakPolarHBondContact O-CB 3.37Å; D280-E292 HydrophobicContact CB-CB 4.5Å; D280-E292 HydrophobicContact CB-CG 3.48Å; D280-E292 VanDerWaalsContact CB-CG 3.48Å; D280-E292 PolarHBondContact O-N 2.82Å; D280-N318 VanDerWaalsContact CG-ND2 3.25Å; D280-N318 PolarHBondContact OD1-ND2 3.33Å; D280-N318 PolarHBondContact OD2-ND2 3.41Å; D280-W347 HydrophobicContact CB-CH2 3.52Å; D280-W347 HydrophobicContact CB-CZ2 4.09Å; D280-W347 HydrophobicContact CB-CZ3 4.11Å; D280-W347 WeakPolarHBondContact OD2-CZ2 3.4Å
281	F	98.8	Very high	97.9	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	112.8	162.9	-177.2	-90.1	0	0	0	110.1	V229 H231 F268 S277 I283 V289 T290 L291 K504 T506 M516	V229-F281 HydrophobicContact CG1-CE2 4.18Å; H231-F281 HydrophobicContact CB-CB 4.42Å; H231-F281 HydrophobicContact CB-CD2 3.65Å; H231-F281 HydrophobicContact CB-CE2 4.35Å; H231-F281 HydrophobicContact CB-CG 4.39Å; F268-F281 VanDerWaalsContact CA-O 3.27Å; F268-F281 WeakPolarHBondContact CA-O 3.23Å; F268-F281 WeakPolarHBondContact CB-O 3.47Å; S277-F281 PolarHBondContact OG-N 2.83Å; F281-I283 HydrophobicContact CE1-CD1 4.39Å; F281-I283 HydrophobicContact CE1-CG1 4.32Å; F281-V289 HydrophobicContact CE2-CG1 4.46Å; F281-T290 WeakPolarHBondContact CA-O 3.14Å; F281-L291 HydrophobicContact CD2-CB 4.17Å; F281-L291 HydrophobicContact CD2-CD1 4.3Å; F281-K504 VanDerWaalsContact CB-CE 3.43Å; F281-K504 HydrophobicContact CD1-CB 3.85Å; F281-K504 HydrophobicContact CD1-CG 4.35Å; F281-K504 HydrophobicContact CD2-CB 4.39Å; F281-K504 HydrophobicContact CE1-CB 3.94Å; F281-K504 HydrophobicContact CE2-CB 4.44Å; F281-K504 HydrophobicContact CG-CB 4.09Å; F281-K504 HydrophobicContact CZ-CB 4.23Å; F281-T506 HydrophobicContact CZ-CG2 3.99Å; F281-M516 HydrophobicContact CD1-CE 4.45Å; F281-M516 HydrophobicContact CD1-SD 4.22Å; F281-M516 HydrophobicContact CE1-CB 4.48Å; F281-M516 HydrophobicContact CE1-CE 4.26Å; F281-M516 HydrophobicContact CE1-SD 4.03Å
282	Y	98.9	Very high	97.9	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.008	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.2	-174.1	-59.6	-99.5	0	0	0	112.6	F268 F276 S277 D280 L284 V289 T290 N318 N322 W347	F268-Y282 HydrophobicContact CB-CD1 3.43Å; F268-Y282 VanDerWaalsContact CB-CD1 3.43Å; F268-Y282 HydrophobicContact CB-CE1 3.85Å; F268-Y282 HydrophobicContact CB-CG 3.99Å; F268-Y282 AromaticContact CD1-CD1 3.95Å; F268-Y282 HydrophobicContact CD1-CD1 3.95Å; F268-Y282 HydrophobicContact CD1-CE1 4.08Å; F268-Y282 HydrophobicContact CD2-CD1 4.4Å; F268-Y282 AromaticContact CD2-CE1 3.98Å; F268-Y282 HydrophobicContact CD2-CE1 3.98Å; F268-Y282 AromaticContact CG-CD1 3.69Å; F268-Y282 HydrophobicContact CG-CD1 3.69Å; F268-Y282 AromaticContact CG-CE1 3.71Å; F268-Y282 HydrophobicContact CG-CE1 3.71Å; F276-Y282 WeakPolarHBondContact CB-OH 3.23Å; F276-Y282 WeakPolarHBondContact CD2-OH 3.23Å; S277-Y282 VanDerWaalsContact CB-CE2 3.49Å; S277-Y282 VanDerWaalsContact CB-OH 3.3Å; S277-Y282 WeakPolarHBondContact CB-OH 3.5Å; S277-Y282 PolarHBondContact N-OH 3.33Å; D280-Y282 HydrophobicContact CB-CE2 4.07Å; D280-Y282 WeakPolarHBondContact OD1-CE2 3.4Å; D280-Y282 PolarHBondContact OD1-OH 3.2Å; Y282-L284 HydrophobicContact CD1-CD2 4.49Å; Y282-V289 WeakPolarHBondContact O-CA 3.39Å; Y282-V289 WeakPolarHBondContact O-CG1 3.23Å; Y282-T290 WeakPolarHBondContact CB-OG1 3.39Å; Y282-T290 PolarHBondContact N-O 3.29Å; Y282-T290 PolarHBondContact O-N 2.88Å; Y282-N318 PolarHBondContact OH-ND2 3.26Å; Y282-N322 WeakPolarHBondContact CE1-ND2 3.18Å; Y282-W347 HydrophobicContact CE2-CH2 4.34Å
283	I	98.8	Very high	97.9	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116	167.3	-61.6	173.8	0	0	0	108	Q266 A267 F281 V289 T506 F511 Y514 G515 M516	Q266-I283 WeakPolarHBondContact CA-O 3.43Å; A267-I283 HydrophobicContact CB-CB 4.43Å; A267-I283 PolarHBondContact N-O 2.92Å; A267-I283 PolarHBondContact O-N 2.83Å; F281-I283 HydrophobicContact CE1-CD1 4.39Å; F281-I283 HydrophobicContact CE1-CG1 4.32Å; I283-V289 HydrophobicContact CG1-CG2 4.07Å; I283-T506 HydrophobicContact CD1-CG2 4.14Å; I283-T506 HydrophobicContact CG1-CG2 4.3Å; I283-F511 HydrophobicContact CB-CD2 4.43Å; I283-F511 HydrophobicContact CG2-CD2 3.4Å; I283-F511 HydrophobicContact CG2-CE2 3.61Å; I283-F511 HydrophobicContact CG2-CG 4.35Å; I283-Y514 HydrophobicContact CG2-CD1 3.98Å; I283-G515 WeakPolarHBondContact CD1-O 3.27Å; I283-M516 HydrophobicContact CD1-CB 4.35Å; I283-M516 HydrophobicContact CD1-CE 3.92Å
284	L	98.8	Very high	97.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.1	-168.5	-52.7	175	0	0	0	111.7	I265 Q266 Y282 S286 G287 L288 T290 N322 F511	I265-L284 CarbonylContact O-C 3.59Å; I265-L284 WeakPolarHBondContact O-CA 3.27Å; Q266-L284 HydrophobicContact CB-CD2 3.97Å; Q266-L284 HydrophobicContact CG-CD2 3.67Å; Y282-L284 HydrophobicContact CD1-CD2 4.49Å; L284-S286 PolarHBondContact O-N 3.22Å; L284-S286 VanDerWaalsContact O-N 3.08Å; L284-G287 PolarHBondContact O-N 3Å; L284-G287 VanDerWaalsContact O-N 3.15Å; L284-L288 HydrophobicContact CB-CB 4.39Å; L284-L288 WeakPolarHBondContact CB-O 3.4Å; L284-L288 HydrophobicContact CD1-CB 4.05Å; L284-L288 PolarHBondContact N-O 3.01Å; L284-T290 HydrophobicContact CD1-CG2 3.98Å; L284-N322 HydrophobicContact CD1-CB 3.89Å; L284-N322 HydrophobicContact CD2-CB 3.98Å; L284-F511 WeakPolarHBondContact O-CZ 3.32Å
285	S	98.5	Very high	97.7	Very high	33 Å²	33	4.2 Å²	4.2	23%	0.231	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.2	176.6	49.6	0	0	0	0	114.9	P262 R264 I265 G287	P262-S285 PolarHBondContact O-OG 2.96Å; R264-S285 PolarHBondContact N-OG 3.44Å; R264-S285 VanDerWaalsContact N-OG 3.11Å; I265-S285 PolarHBondContact N-OG 2.98Å; I265-S285 PolarHBondContact O-N 2.79Å; I265-S285 PolarHBondContact O-OG 3.31Å; S285-G287 PolarHBondContact O-N 3.29Å
286	S	98.4	Very high	97.4	Very high	17 Å²	17	4 Å²	4	12%	0.119	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.2	176	50.6	0	0	0	0	113.7	P262 L284 A325 N353	P262-S286 PolarHBondContact O-N 3.42Å; L284-S286 PolarHBondContact O-N 3.22Å; L284-S286 VanDerWaalsContact O-N 3.08Å; S286-A325 WeakPolarHBondContact CB-O 3.25Å; S286-A325 PolarHBondContact OG-O 3.16Å; S286-N353 PolarHBondContact O-ND2 2.77Å
287	G	98.4	Very high	97.2	Very high	2 Å²	2	4.3 Å²	4.3	2%	0.021	3%	0.032	C	C	.	.	S	Bend	trans	103.6	-7	-172.1	0	0	0	0	0	113.6	L284 S285 Y352 N353 F511	L284-G287 PolarHBondContact O-N 3Å; L284-G287 VanDerWaalsContact O-N 3.15Å; S285-G287 PolarHBondContact O-N 3.29Å; G287-Y352 PolarHBondContact O-N 3.31Å; G287-N353 WeakPolarHBondContact CA-ND2 3.36Å; G287-F511 WeakPolarHBondContact O-CZ 3.12Å
288	L	98.9	Very high	96.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	142	-170.2	-56.5	-176.6	0	0	0	112.3	L284 T290 A325 W331 I349 V350 D351	L284-L288 HydrophobicContact CB-CB 4.39Å; L284-L288 WeakPolarHBondContact CB-O 3.4Å; L284-L288 HydrophobicContact CD1-CB 4.05Å; L284-L288 PolarHBondContact N-O 3.01Å; L288-T290 HydrophobicContact CB-CG2 4.46Å; L288-A325 HydrophobicContact CD1-CB 4Å; L288-W331 HydrophobicContact CD1-CB 4.4Å; L288-I349 HydrophobicContact CB-CG2 4.5Å; L288-I349 HydrophobicContact CD1-CG2 4.21Å; L288-I349 HydrophobicContact CD2-CG2 4.21Å; L288-V350 CarbonylContact C-O 3.54Å; L288-V350 VanDerWaalsContact CA-O 3.31Å; L288-V350 WeakPolarHBondContact CA-O 3.3Å; L288-D351 HydrophobicContact CD2-CB 3.66Å
289	V	98.9	Very high	97	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.3	160.1	171.9	0	0	0	0	108.6	V229 F281 Y282 I283 L291 V350 Y352 T506 F511	V229-V289 HydrophobicContact CB-CG1 4.29Å; V229-V289 HydrophobicContact CG1-CG1 3.73Å; F281-V289 HydrophobicContact CE2-CG1 4.46Å; Y282-V289 WeakPolarHBondContact O-CA 3.39Å; Y282-V289 WeakPolarHBondContact O-CG1 3.23Å; I283-V289 HydrophobicContact CG1-CG2 4.07Å; V289-L291 HydrophobicContact CG1-CD2 4.41Å; V289-V350 HydrophobicContact CB-CB 4.37Å; V289-V350 PolarHBondContact N-O 3.37Å; V289-V350 PolarHBondContact O-N 2.95Å; V289-Y352 HydrophobicContact CB-CD2 4.41Å; V289-Y352 HydrophobicContact CB-CE2 4.11Å; V289-Y352 HydrophobicContact CG2-CD2 3.75Å; V289-Y352 HydrophobicContact CG2-CE2 3.53Å; V289-T506 HydrophobicContact CG1-CG2 4.33Å; V289-T506 HydrophobicContact CG2-CG2 4.07Å; V289-F511 HydrophobicContact CG2-CD2 3.36Å; V289-F511 HydrophobicContact CG2-CE2 3.75Å; V289-F511 HydrophobicContact CG2-CG 4.41Å
290	T	98.9	Very high	97	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.8	-177.6	61.7	0	0	0	0	109.4	F281 Y282 L284 L288 N322 W331 M348 I349	F281-T290 WeakPolarHBondContact CA-O 3.14Å; Y282-T290 WeakPolarHBondContact CB-OG1 3.39Å; Y282-T290 PolarHBondContact N-O 3.29Å; Y282-T290 PolarHBondContact O-N 2.88Å; L284-T290 HydrophobicContact CD1-CG2 3.98Å; L288-T290 HydrophobicContact CB-CG2 4.46Å; T290-N322 PolarHBondContact OG1-OD1 2.99Å; T290-N322 VanDerWaalsContact OG1-OD1 3.04Å; T290-W331 HydrophobicContact CG2-CD2 4.45Å; T290-W331 HydrophobicContact CG2-CG 4.4Å; T290-M348 WeakPolarHBondContact CA-O 3.48Å; T290-I349 HydrophobicContact CG2-CB 4.45Å; T290-I349 HydrophobicContact CG2-CG1 4.13Å; T290-I349 HydrophobicContact CG2-CG2 3.91Å
291	L	98.8	Very high	97	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	160.8	178.6	67	168.3	0	0	0	110.8	A216 V229 H231 D280 F281 V289 W347 M348	A216-L291 HydrophobicContact CB-CD1 3.83Å; V229-L291 HydrophobicContact CG1-CD1 3.76Å; V229-L291 HydrophobicContact CG1-CD2 3.64Å; V229-L291 HydrophobicContact CG1-CG 4.4Å; H231-L291 HydrophobicContact CB-CD1 4.06Å; D280-L291 WeakPolarHBondContact O-CA 3.46Å; D280-L291 WeakPolarHBondContact O-CB 3.37Å; F281-L291 HydrophobicContact CD2-CB 4.17Å; F281-L291 HydrophobicContact CD2-CD1 4.3Å; V289-L291 HydrophobicContact CG1-CD2 4.41Å; L291-W347 CarbonylContact O-C 3.59Å; L291-W347 WeakPolarHBondContact O-CA 3.25Å; L291-M348 HydrophobicContact CD1-CE 4.47Å; L291-M348 HydrophobicContact CD2-CB 3.84Å; L291-M348 WeakPolarHBondContact CD2-O 3.48Å; L291-M348 HydrophobicContact CG-CB 4.22Å; L291-M348 HydrophobicContact CG-CE 3.96Å; L291-M348 HydrophobicContact CG-SD 4.44Å; L291-M348 PolarHBondContact N-O 3.32Å; L291-M348 VanDerWaalsContact N-O 3.08Å; L291-M348 PolarHBondContact O-N 2.86Å
292	E	98.6	Very high	96.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	173.6	-180	69.9	84.8	-128.9	0	0	113.8	H231 D280 T294 N345 Q346 W347	H231-E292 PolarHBondContact CD2-O 3.33Å; H231-E292 PolarHBondContact NE2-O 3.32Å; D280-E292 HydrophobicContact CB-CB 4.5Å; D280-E292 HydrophobicContact CB-CG 3.48Å; D280-E292 VanDerWaalsContact CB-CG 3.48Å; D280-E292 PolarHBondContact O-N 2.82Å; E292-T294 WeakPolarHBondContact OE2-CA 3.17Å; E292-T294 PolarHBondContact OE2-N 2.92Å; E292-N345 HydrophobicContact CB-CB 4.08Å; E292-N345 HydrophobicContact CG-CB 4.27Å; E292-N345 WeakPolarHBondContact OE2-CB 3.23Å; E292-N345 PolarHBondContact OE2-ND2 2.83Å; E292-N345 PolarHBondContact OE2-OD1 3.11Å; E292-Q346 CarbonylContact C-O 3.6Å; E292-Q346 WeakPolarHBondContact CA-O 3.49Å; E292-Q346 WeakPolarHBondContact CB-O 3.34Å; E292-W347 HydrophobicContact CB-CD2 3.71Å; E292-W347 HydrophobicContact CB-CE3 3.99Å; E292-W347 HydrophobicContact CB-CG 4.06Å; E292-W347 HydrophobicContact CB-CZ2 4.28Å; E292-W347 HydrophobicContact CB-CZ3 4.41Å; E292-W347 HydrophobicContact CG-CD2 4.46Å; E292-W347 HydrophobicContact CG-CH2 4.42Å; E292-W347 HydrophobicContact CG-CZ2 4.14Å
293	T	98	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.6	151.5	72.5	0	0	0	0	109.2	C214 A216 I295 Q346 S395 N397	C214-T293 HydrophobicContact CB-CG2 3.9Å; C214-T293 WeakPolarHBondContact O-CG2 3.5Å; A216-T293 HydrophobicContact CB-CG2 4.03Å; T293-I295 PolarHBondContact O-N 3.06Å; T293-Q346 PolarHBondContact N-O 2.9Å; T293-Q346 PolarHBondContact O-N 2.78Å; T293-S395 PolarHBondContact OG1-OG 2.89Å; T293-N397 PolarHBondContact OG1-N 3.46Å
294	T	96.4	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.7	-171.2	-44.9	0	0	0	0	111.3	S213 E292 Y343 N344 N345 N397	S213-T294 WeakPolarHBondContact CB-OG1 3.43Å; S213-T294 PolarHBondContact O-N 2.6Å; S213-T294 PolarHBondContact OG-OG1 2.73Å; E292-T294 WeakPolarHBondContact OE2-CA 3.17Å; E292-T294 PolarHBondContact OE2-N 2.92Å; T294-Y343 HydrophobicContact CG2-CD2 4.01Å; T294-Y343 HydrophobicContact CG2-CE2 4.05Å; T294-Y343 VanDerWaalsContact OG1-CE2 3.24Å; T294-Y343 WeakPolarHBondContact OG1-CE2 3.34Å; T294-N344 CarbonylContact C-O 3.56Å; T294-N344 WeakPolarHBondContact CG2-O 3.22Å; T294-N345 WeakPolarHBondContact CA-OD1 3.36Å; T294-N345 WeakPolarHBondContact CG2-OD1 3.42Å; T294-N345 PolarHBondContact OG1-OD1 2.6Å; T294-N397 PolarHBondContact N-ND2 2.83Å; T294-N397 WeakPolarHBondContact O-CA 3.49Å; T294-N397 VanDerWaalsContact O-CB 3.27Å; T294-N397 WeakPolarHBondContact O-CB 3.32Å; T294-N397 PolarHBondContact O-ND2 2.96Å
295	I	95.6	Very high	96.4	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.154	C	C	.	.			trans	-92.8	-21.6	177.8	58.2	172	0	0	0	112.9	T293 N344 Q346 E371 I373 P399 I404	T293-I295 PolarHBondContact O-N 3.06Å; I295-N344 HydrophobicContact CG1-CB 4.44Å; I295-N344 WeakPolarHBondContact CG1-O 3.27Å; I295-N344 PolarHBondContact N-O 3.23Å; I295-Q346 HydrophobicContact CG2-CB 3.91Å; I295-E371 HydrophobicContact CD1-CB 4.03Å; I295-E371 HydrophobicContact CD1-CG 4.25Å; I295-I373 HydrophobicContact CD1-CG2 4.28Å; I295-P399 HydrophobicContact CB-CG 3.94Å; I295-P399 HydrophobicContact CD1-CB 4.19Å; I295-P399 HydrophobicContact CD1-CG 4.08Å; I295-P399 HydrophobicContact CG2-CG 4.26Å; I295-I404 HydrophobicContact CD1-CG2 3.88Å
296	G	92.6	Very high	96.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	15%	0.145	C	C	.	.			trans	61.9	-168	-179.9	0	0	0	0	0	113.9	N344	G296-N344 PolarHBondContact N-O 2.91Å
297	N	94.1	Very high	96.2	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.064	16%	0.16	C	C	.	.			trans	-141.4	127.6	170	164	61.2	0	0	0	111	N299 W303 P374	N297-N299 PolarHBondContact ND2-O 3.41Å; N297-N299 WeakPolarHBondContact OD1-CB 3.14Å; N297-N299 PolarHBondContact OD1-N 2.85Å; N297-N299 PolarHBondContact OD1-O 3.31Å; N297-W303 HydrophobicContact CB-CH2 3.47Å; N297-W303 VanDerWaalsContact CB-CH2 3.47Å; N297-W303 HydrophobicContact CB-CZ2 4.04Å; N297-W303 HydrophobicContact CB-CZ3 3.94Å; N297-W303 VanDerWaalsContact ND2-CE2 3.33Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.18Å; N297-W303 WeakPolarHBondContact ND2-CZ2 3.22Å; N297-W303 VanDerWaalsContact ND2-CZ3 3.34Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.48Å; N297-W303 WeakPolarHBondContact O-CZ2 3.3Å; N297-P374 HydrophobicContact CB-CG 4.16Å
298	N	92.4	Very high	96.2	Very high	64 Å²	64	31.4 Å²	31.4	34%	0.342	17%	0.167	S	C	.	.			trans	-107.4	5.4	179.8	-63.8	-77.3	0	0	0	112.5	P300 S408 L413	N298-P300 VanDerWaalsContact O-CD 3.3Å; N298-P300 WeakPolarHBondContact O-CD 3.44Å; N298-S408 CarbonylContact C-O 3.6Å; N298-S408 VanDerWaalsContact CA-O 3.23Å; N298-S408 WeakPolarHBondContact CA-O 3.27Å; N298-S408 WeakPolarHBondContact CB-O 3.47Å; N298-S408 PolarHBondContact N-O 3.25Å; N298-L413 HydrophobicContact CB-CD1 3.78Å; N298-L413 HydrophobicContact CB-CG 4.47Å; N298-L413 VanDerWaalsContact CG-CD1 3.44Å
299	N	94.9	Very high	96.1	Very high	39 Å²	39	35 Å²	35	21%	0.209	19%	0.189	C	C	.	.			trans	-100.4	101.3	176.4	-175.9	1	0	0	0	110.2	N297 A301 L302 A407 S408	N297-N299 PolarHBondContact ND2-O 3.41Å; N297-N299 WeakPolarHBondContact OD1-CB 3.14Å; N297-N299 PolarHBondContact OD1-N 2.85Å; N297-N299 PolarHBondContact OD1-O 3.31Å; N299-A301 PolarHBondContact O-N 2.73Å; N299-A301 VanDerWaalsContact O-N 3.12Å; N299-A301 WeakPolarHBondContact OD1-CB 3.49Å; N299-A301 PolarHBondContact OD1-N 3.23Å; N299-L302 HydrophobicContact CB-CD1 4.16Å; N299-L302 HydrophobicContact CB-CG 4.06Å; N299-L302 PolarHBondContact O-N 2.73Å; N299-L302 VanDerWaalsContact O-N 3.08Å; N299-A407 WeakPolarHBondContact CB-O 3.45Å; N299-A407 PolarHBondContact ND2-O 3.29Å; N299-S408 PolarHBondContact N-O 3.44Å
300	P	93.4	Very high	96	Very high	95 Å²	95	36.9 Å²	36.9	62%	0.617	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-64.5	-20.1	-177	26.7	-35.1	0	0	0	113.4	N298 L302 W303	N298-P300 VanDerWaalsContact O-CD 3.3Å; N298-P300 WeakPolarHBondContact O-CD 3.44Å; P300-L302 PolarHBondContact O-N 2.75Å; P300-W303 VanDerWaalsContact CA-CD1 3.47Å; P300-W303 PolarHBondContact O-N 3.42Å
301	A	95.6	Very high	95.9	Very high	57 Å²	57	37.4 Å²	37.4	47%	0.471	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-66.7	-17	177.1	0	0	0	0	0	113.1	N299 K304	N299-A301 PolarHBondContact O-N 2.73Å; N299-A301 VanDerWaalsContact O-N 3.12Å; N299-A301 WeakPolarHBondContact OD1-CB 3.49Å; N299-A301 PolarHBondContact OD1-N 3.23Å; A301-K304 WeakPolarHBondContact O-CE 3.44Å; A301-K304 WeakPolarHBondContact O-CG 3.36Å
302	L	96.3	Very high	95.9	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.073	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-85.3	-18.5	178.1	-57.5	-173.9	0	0	0	113	N299 P300 K304 F305 I373 P374 W375 A407	N299-L302 HydrophobicContact CB-CD1 4.16Å; N299-L302 HydrophobicContact CB-CG 4.06Å; N299-L302 PolarHBondContact O-N 2.73Å; N299-L302 VanDerWaalsContact O-N 3.08Å; P300-L302 PolarHBondContact O-N 2.75Å; L302-K304 PolarHBondContact O-N 3.07Å; L302-K304 VanDerWaalsContact O-N 3.14Å; L302-F305 HydrophobicContact CB-CD2 4.49Å; L302-F305 HydrophobicContact CD2-CD2 4.33Å; L302-F305 HydrophobicContact CD2-CE2 4.12Å; L302-F305 WeakPolarHBondContact O-CB 3.26Å; L302-F305 VanDerWaalsContact O-CD2 3.28Å; L302-F305 WeakPolarHBondContact O-CD2 3.42Å; L302-F305 PolarHBondContact O-N 3.37Å; L302-I373 HydrophobicContact CD1-CD1 3.83Å; L302-P374 HydrophobicContact CB-CB 3.96Å; L302-P374 HydrophobicContact CB-CG 4.16Å; L302-P374 WeakPolarHBondContact O-CB 3.43Å; L302-W375 HydrophobicContact CD2-CB 4.32Å; L302-A407 WeakPolarHBondContact CD1-O 3.33Å
303	W	95.4	Very high	95.9	Very high	34 Å²	34	37.8 Å²	37.8	13%	0.129	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26	-177.3	-62.5	142.6	0	0	0	114.2	D195 V199 N297 P300 F305 V306 P374	D195-W303 HydrophobicContact CB-CH2 4.17Å; D195-W303 HydrophobicContact CB-CZ3 4.04Å; D195-W303 VanDerWaalsContact OD1-CH2 3.24Å; D195-W303 WeakPolarHBondContact OD1-CH2 3.49Å; V199-W303 HydrophobicContact CG2-CB 4.09Å; V199-W303 HydrophobicContact CG2-CD2 4.01Å; V199-W303 HydrophobicContact CG2-CE3 3.67Å; V199-W303 HydrophobicContact CG2-CG 4.21Å; V199-W303 HydrophobicContact CG2-CZ3 4.39Å; N297-W303 HydrophobicContact CB-CH2 3.47Å; N297-W303 VanDerWaalsContact CB-CH2 3.47Å; N297-W303 HydrophobicContact CB-CZ2 4.04Å; N297-W303 HydrophobicContact CB-CZ3 3.94Å; N297-W303 VanDerWaalsContact ND2-CE2 3.33Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.18Å; N297-W303 WeakPolarHBondContact ND2-CZ2 3.22Å; N297-W303 VanDerWaalsContact ND2-CZ3 3.34Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.48Å; N297-W303 WeakPolarHBondContact O-CZ2 3.3Å; P300-W303 VanDerWaalsContact CA-CD1 3.47Å; P300-W303 PolarHBondContact O-N 3.42Å; W303-F305 PolarHBondContact O-N 2.93Å; W303-F305 VanDerWaalsContact O-N 3.08Å; W303-V306 HydrophobicContact CE3-CG2 4.06Å; W303-V306 PolarHBondContact O-N 2.99Å; W303-P374 HydrophobicContact CE3-CG 3.73Å; W303-P374 HydrophobicContact CZ3-CG 3.51Å
304	K	94.6	Very high	95.9	Very high	140 Å²	140	37.8 Å²	37.8	61%	0.609	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-61	-16.2	174.3	70.8	-174.6	178.7	177.6	0	113.9	A301 L302 Q307	A301-K304 WeakPolarHBondContact O-CE 3.44Å; A301-K304 WeakPolarHBondContact O-CG 3.36Å; L302-K304 PolarHBondContact O-N 3.07Å; L302-K304 VanDerWaalsContact O-N 3.14Å; K304-Q307 PolarHBondContact O-NE2 3.19Å
305	F	95.8	Very high	96	Very high	73 Å²	73	38 Å²	38	32%	0.32	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-91.8	-10.6	177.8	-58.4	-68.5	0	0	0	113.3	L302 W303 Q307 W375	L302-F305 HydrophobicContact CB-CD2 4.49Å; L302-F305 HydrophobicContact CD2-CD2 4.33Å; L302-F305 HydrophobicContact CD2-CE2 4.12Å; L302-F305 WeakPolarHBondContact O-CB 3.26Å; L302-F305 VanDerWaalsContact O-CD2 3.28Å; L302-F305 WeakPolarHBondContact O-CD2 3.42Å; L302-F305 PolarHBondContact O-N 3.37Å; W303-F305 PolarHBondContact O-N 2.93Å; W303-F305 VanDerWaalsContact O-N 3.08Å; F305-Q307 PolarHBondContact O-N 3.03Å; F305-W375 HydrophobicContact CB-CB 4.25Å; F305-W375 HydrophobicContact CD1-CB 4.47Å; F305-W375 AromaticContact CD1-CD1 3.47Å; F305-W375 VanDerWaalsContact CD1-CD1 3.47Å; F305-W375 HydrophobicContact CD1-CG 4.25Å; F305-W375 HydrophobicContact CD2-CB 3.4Å; F305-W375 VanDerWaalsContact CD2-CB 3.4Å; F305-W375 AromaticContact CD2-CD1 3.71Å; F305-W375 AromaticContact CD2-CG 3.69Å; F305-W375 HydrophobicContact CD2-CG 3.69Å; F305-W375 AromaticContact CE1-CD1 3.22Å; F305-W375 HydrophobicContact CE1-CG 4.11Å; F305-W375 AromaticContact CE1-NE1 3.68Å; F305-W375 HydrophobicContact CE2-CB 3.73Å; F305-W375 AromaticContact CE2-CD1 3.48Å; F305-W375 VanDerWaalsContact CE2-CD1 3.48Å; F305-W375 HydrophobicContact CE2-CD2 4.3Å; F305-W375 AromaticContact CE2-CG 3.53Å; F305-W375 HydrophobicContact CE2-CG 3.53Å; F305-W375 HydrophobicContact CG-CB 3.81Å; F305-W375 AromaticContact CG-CD1 3.7Å; F305-W375 HydrophobicContact CG-CG 4.04Å; F305-W375 HydrophobicContact CZ-CB 4.38Å; F305-W375 AromaticContact CZ-CD1 3.2Å; F305-W375 HydrophobicContact CZ-CD2 4.39Å; F305-W375 AromaticContact CZ-CG 3.74Å; F305-W375 HydrophobicContact CZ-CG 3.74Å; F305-W375 AromaticContact CZ-NE1 3.55Å
306	V	97.3	Very high	96.1	Very high	5 Å²	5	38 Å²	38	3%	0.03	21%	0.214	C	C	.	.			trans	-77.9	104.5	170.7	-177.5	0	0	0	0	107.5	F128 L196 V199 W303 T342 P374	F128-V306 HydrophobicContact CE2-CG1 4.32Å; F128-V306 HydrophobicContact CZ-CG1 3.94Å; L196-V306 HydrophobicContact CD2-CG1 4.05Å; V199-V306 HydrophobicContact CG1-CB 4Å; V199-V306 HydrophobicContact CG1-CG1 4.1Å; V199-V306 HydrophobicContact CG2-CB 3.68Å; V199-V306 HydrophobicContact CG2-CG1 3.89Å; V199-V306 HydrophobicContact CG2-CG2 3.73Å; W303-V306 HydrophobicContact CE3-CG2 4.06Å; W303-V306 PolarHBondContact O-N 2.99Å; V306-T342 HydrophobicContact CG1-CG2 3.69Å; V306-P374 HydrophobicContact CG2-CB 3.92Å; V306-P374 HydrophobicContact CG2-CG 4.26Å
307	Q	96.6	Very high	96.4	Very high	95 Å²	95	37.9 Å²	37.9	44%	0.444	21%	0.214	S	C	.	.			trans	-121	149.1	-176.2	-65.5	-62.5	-26.9	0	0	109.8	K304 F305 T309 T311	K304-Q307 PolarHBondContact O-NE2 3.19Å; F305-Q307 PolarHBondContact O-N 3.03Å; Q307-T309 VanDerWaalsContact C-N 3.29Å; Q307-T309 PolarHBondContact O-N 3.49Å; Q307-T311 PolarHBondContact O-OG1 3.16Å
308	P	97.3	Very high	96.7	Very high	26 Å²	26	37.3 Å²	37.3	17%	0.169	21%	0.21	C	C	.	.	S	Bend	trans	-73.1	-23	178	29	-33.8	0	0	0	112.3	F128 A131 N132	F128-P308 HydrophobicContact CD1-CB 4.38Å; F128-P308 HydrophobicContact CD2-CB 3.92Å; F128-P308 HydrophobicContact CD2-CG 4.2Å; F128-P308 HydrophobicContact CE1-CB 4.37Å; F128-P308 HydrophobicContact CE2-CB 3.94Å; F128-P308 HydrophobicContact CE2-CG 4.25Å; F128-P308 HydrophobicContact CG-CB 4.14Å; F128-P308 HydrophobicContact CZ-CB 4.15Å; F128-P308 WeakPolarHBondContact O-CB 3.38Å; A131-P308 HydrophobicContact CB-CB 3.84Å; A131-P308 HydrophobicContact CB-CG 4.16Å; N132-P308 WeakPolarHBondContact CA-O 3.49Å; N132-P308 HydrophobicContact CB-CB 4.29Å; N132-P308 WeakPolarHBondContact CB-O 3.32Å; N132-P308 PolarHBondContact ND2-O 2.86Å
309	T	97.7	Very high	97	Very high	76 Å²	76	34.5 Å²	34.5	47%	0.466	20%	0.195	S	C	.	.	S	Bend	trans	-110.3	151.2	179.3	62	0	0	0	0	110.9	W135 Q307 T311	W135-T309 HydrophobicContact CB-CG2 3.96Å; W135-T309 HydrophobicContact CG-CG2 4.08Å; Q307-T309 VanDerWaalsContact C-N 3.29Å; Q307-T309 PolarHBondContact O-N 3.49Å; T309-T311 PolarHBondContact O-N 3.25Å
310	G	96.6	Very high	97.2	Very high	38 Å²	38	32.7 Å²	32.7	39%	0.392	19%	0.185	S	C	.	.	S	Bend	trans	81	1	-175.8	0	0	0	0	0	114.2
311	T	97.1	Very high	97.4	Very high	12 Å²	12	28.1 Å²	28.1	7%	0.074	16%	0.156	C	C	.	.			trans	-132.7	148.7	-170.6	60.2	0	0	0	0	111.7	N132 W135 Q307 T309 Y338	N132-T311 PolarHBondContact ND2-O 3.04Å; W135-T311 WeakPolarHBondContact CZ3-O 3.47Å; Q307-T311 PolarHBondContact O-OG1 3.16Å; T309-T311 PolarHBondContact O-N 3.25Å; T311-Y338 CarbonylContact C-O 3.53Å; T311-Y338 WeakPolarHBondContact CA-O 3.42Å
312	V	98.3	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-119	127.6	171	-179.6	0	0	0	0	107.2	W135 V136 Y148 W149 L316 R317 Y338 S340	W135-V312 HydrophobicContact CZ3-CG2 3.97Å; V136-V312 HydrophobicContact CG2-CG2 4.44Å; Y148-V312 HydrophobicContact CE1-CG2 4.42Å; W149-V312 HydrophobicContact CH2-CG2 3.77Å; W149-V312 HydrophobicContact CZ3-CG2 4.13Å; V312-L316 HydrophobicContact CG1-CB 3.79Å; V312-L316 HydrophobicContact CG1-CD2 3.57Å; V312-L316 HydrophobicContact CG1-CG 3.69Å; V312-R317 HydrophobicContact CB-CG 3.79Å; V312-R317 HydrophobicContact CG1-CG 3.74Å; V312-R317 VanDerWaalsContact O-CD 3.23Å; V312-R317 WeakPolarHBondContact O-CD 3.34Å; V312-R317 PolarHBondContact O-NE 3.45Å; V312-Y338 HydrophobicContact CG2-CD2 4.11Å; V312-Y338 HydrophobicContact CG2-CG 4.09Å; V312-Y338 PolarHBondContact N-O 2.81Å; V312-S340 WeakPolarHBondContact O-CB 3.38Å; V312-S340 PolarHBondContact O-OG 2.75Å
313	M	97.8	Very high	97.7	Very high	7 Å²	7	25 Å²	25	3%	0.034	13%	0.131	C	C	.	.			trans	-57.5	154.2	178.8	-68.7	175.9	-175.6	0	0	111.5	F128 I129 N132 M189 W315 L316 R317	F128-M313 HydrophobicContact CD1-CE 4.31Å; F128-M313 HydrophobicContact CE1-CE 4.1Å; I129-M313 HydrophobicContact CG1-CE 4.21Å; N132-M313 HydrophobicContact CB-CE 4.13Å; M189-M313 HydrophobicContact CE-CE 3.55Å; M189-M313 HydrophobicContact CE-SD 3.45Å; M189-M313 WeakPolarHBondContact CE-SD 3.25Å; M189-M313 HydrophobicContact CG-SD 4.1Å; M189-M313 HydrophobicContact SD-CE 4.21Å; M189-M313 HydrophobicContact SD-SD 3.77Å; M313-W315 PolarHBondContact O-N 3.4Å; M313-L316 PolarHBondContact O-N 2.86Å; M313-R317 PolarHBondContact O-N 2.94Å
314	E	98.4	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-48.2	-168.7	-162.9	-80.1	171.5	0	0	112.4	D192 L316 R317 N318 F335 T342 Y343 N345 W347	D192-E314 PolarHBondContact OD1-N 2.92Å; D192-E314 PolarHBondContact OD2-N 2.81Å; E314-L316 PolarHBondContact O-N 3.3Å; E314-R317 CarbonylContact O-C 3.56Å; E314-R317 WeakPolarHBondContact O-CA 3.35Å; E314-R317 WeakPolarHBondContact O-CB 3.16Å; E314-R317 PolarHBondContact O-N 3.27Å; E314-N318 WeakPolarHBondContact O-CB 3.33Å; E314-N318 PolarHBondContact O-N 3.22Å; E314-F335 HydrophobicContact CG-CE2 4.1Å; E314-F335 HydrophobicContact CG-CZ 3.78Å; E314-F335 VanDerWaalsContact OE1-CE2 3.3Å; E314-F335 WeakPolarHBondContact OE1-CE2 3.47Å; E314-F335 WeakPolarHBondContact OE1-CZ 3.23Å; E314-T342 WeakPolarHBondContact CB-O 3.32Å; E314-Y343 HydrophobicContact CB-CD1 4.35Å; E314-Y343 HydrophobicContact CG-CD1 4.13Å; E314-Y343 HydrophobicContact CG-CG 4.44Å; E314-Y343 WeakPolarHBondContact OE2-CD1 3.13Å; E314-N345 PolarHBondContact OE1-ND2 2.87Å; E314-W347 WeakPolarHBondContact OE1-CZ2 3.23Å; E314-W347 PolarHBondContact OE1-NE1 3.33Å; E314-W347 VanDerWaalsContact OE1-NE1 3.07Å
315	W	98.5	Very high	98	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.015	10%	0.1	C	C	.	.	H	α-helix	trans	-53.5	-36.1	-177.1	71.6	-92.7	0	0	0	112.2	A155 L156 I159 L185 Q188 I275 F276 M313 I319	A155-W315 HydrophobicContact CB-CZ3 4.47Å; L156-W315 HydrophobicContact CD2-CH2 4.18Å; L156-W315 HydrophobicContact CD2-CZ2 4.48Å; I159-W315 HydrophobicContact CD1-CH2 3.25Å; I159-W315 HydrophobicContact CD1-CZ2 3.95Å; I159-W315 HydrophobicContact CD1-CZ3 3.65Å; L185-W315 HydrophobicContact CD1-CH2 4.44Å; L185-W315 HydrophobicContact CD1-CZ2 3.65Å; Q188-W315 HydrophobicContact CB-CD2 3.7Å; Q188-W315 HydrophobicContact CB-CE3 4.03Å; Q188-W315 HydrophobicContact CB-CG 3.9Å; Q188-W315 HydrophobicContact CG-CE3 4.47Å; Q188-W315 WeakPolarHBondContact O-CB 3.35Å; I275-W315 HydrophobicContact CD1-CZ3 4.36Å; F276-W315 HydrophobicContact CD1-CB 4.32Å; F276-W315 HydrophobicContact CD2-CB 4.11Å; F276-W315 HydrophobicContact CE1-CB 4.03Å; F276-W315 HydrophobicContact CE2-CB 3.77Å; F276-W315 HydrophobicContact CG-CB 4.37Å; F276-W315 HydrophobicContact CZ-CB 3.73Å; M313-W315 PolarHBondContact O-N 3.4Å; W315-I319 HydrophobicContact CE3-CD1 3.68Å; W315-I319 HydrophobicContact CZ3-CD1 3.74Å; W315-I319 WeakPolarHBondContact O-CG1 3.35Å; W315-I319 PolarHBondContact O-N 3.47Å; W315-I319 VanDerWaalsContact O-N 3.15Å
316	L	98.6	Very high	98.2	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-79	-38	-179.2	-177.1	56.8	0	0	0	111.4	V136 V152 A155 V312 M313 E314 N318 V320	V136-L316 HydrophobicContact CG1-CD2 4.36Å; V152-L316 HydrophobicContact CG1-CD1 4.4Å; V152-L316 HydrophobicContact CG1-CD2 3.74Å; V152-L316 HydrophobicContact CG1-CG 4.4Å; V152-L316 HydrophobicContact CG2-CD1 4.37Å; V152-L316 HydrophobicContact CG2-CD2 4.29Å; V152-L316 HydrophobicContact CG2-CG 4.21Å; A155-L316 HydrophobicContact CB-CD1 3.52Å; V312-L316 HydrophobicContact CG1-CB 3.79Å; V312-L316 HydrophobicContact CG1-CD2 3.57Å; V312-L316 HydrophobicContact CG1-CG 3.69Å; M313-L316 PolarHBondContact O-N 2.86Å; E314-L316 PolarHBondContact O-N 3.3Å; L316-N318 VanDerWaalsContact C-N 3.34Å; L316-V320 WeakPolarHBondContact O-CG2 3.41Å; L316-V320 PolarHBondContact O-N 3.24Å; L316-V320 VanDerWaalsContact O-N 3.07Å
317	R	98.8	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-40.7	173	-66.7	-174.1	-68.9	115.3	-2.8	111.5	V312 M313 E314 V320 A321 F335 K337 S340 Q372	V312-R317 HydrophobicContact CB-CG 3.79Å; V312-R317 HydrophobicContact CG1-CG 3.74Å; V312-R317 VanDerWaalsContact O-CD 3.23Å; V312-R317 WeakPolarHBondContact O-CD 3.34Å; V312-R317 PolarHBondContact O-NE 3.45Å; M313-R317 PolarHBondContact O-N 2.94Å; E314-R317 CarbonylContact O-C 3.56Å; E314-R317 WeakPolarHBondContact O-CA 3.35Å; E314-R317 WeakPolarHBondContact O-CB 3.16Å; E314-R317 PolarHBondContact O-N 3.27Å; R317-V320 PolarHBondContact O-N 3.42Å; R317-A321 WeakPolarHBondContact O-CB 3.46Å; R317-A321 PolarHBondContact O-N 2.93Å; R317-F335 HydrophobicContact CB-CD2 3.9Å; R317-F335 HydrophobicContact CB-CE2 4.02Å; R317-F335 VanDerWaalsContact NH1-CZ 3.3Å; R317-F335 PolarHBondContact NH1-O 2.81Å; R317-K337 WeakPolarHBondContact CD-O 3.45Å; R317-S340 PolarHBondContact NH2-OG 3.18Å; R317-Q372 VanDerWaalsContact CZ-OE1 3.26Å
318	N	98.8	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-54.4	174.6	174.4	-6	0	0	0	110.9	D280 Y282 E314 L316 V320 A321 N322 F335 W347	D280-N318 VanDerWaalsContact CG-ND2 3.25Å; D280-N318 PolarHBondContact OD1-ND2 3.33Å; D280-N318 PolarHBondContact OD2-ND2 3.41Å; Y282-N318 PolarHBondContact OH-ND2 3.26Å; E314-N318 WeakPolarHBondContact O-CB 3.33Å; E314-N318 PolarHBondContact O-N 3.22Å; L316-N318 VanDerWaalsContact C-N 3.34Å; N318-V320 VanDerWaalsContact C-N 3.31Å; N318-V320 PolarHBondContact O-N 3.14Å; N318-A321 PolarHBondContact O-N 3.16Å; N318-N322 WeakPolarHBondContact O-CB 3.46Å; N318-N322 PolarHBondContact O-N 2.79Å; N318-N322 PolarHBondContact OD1-ND2 3.11Å; N318-F335 HydrophobicContact CB-CE2 4.2Å; N318-W347 HydrophobicContact CB-CH2 4.44Å; N318-W347 HydrophobicContact CB-CZ2 4.21Å; N318-W347 VanDerWaalsContact ND2-CH2 3.33Å; N318-W347 WeakPolarHBondContact ND2-CH2 3.46Å; N318-W347 WeakPolarHBondContact ND2-CZ2 3.42Å
319	I	98.8	Very high	98.4	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-54.4	-47.2	175.7	-70.4	172	0	0	0	111.4	A155 I275 F276 W315 N322 R323	A155-I319 HydrophobicContact CB-CD1 4.34Å; A155-I319 HydrophobicContact CB-CG2 4.16Å; I275-I319 HydrophobicContact CD1-CD1 4Å; I275-I319 HydrophobicContact CG1-CD1 4.2Å; F276-I319 HydrophobicContact CB-CD1 4.03Å; F276-I319 HydrophobicContact CB-CG1 3.91Å; W315-I319 HydrophobicContact CE3-CD1 3.68Å; W315-I319 HydrophobicContact CZ3-CD1 3.74Å; W315-I319 WeakPolarHBondContact O-CG1 3.35Å; W315-I319 PolarHBondContact O-N 3.47Å; W315-I319 VanDerWaalsContact O-N 3.15Å; I319-N322 PolarHBondContact O-N 2.78Å; I319-R323 HydrophobicContact CG2-CG 4.32Å; I319-R323 VanDerWaalsContact CG2-CZ 3.41Å; I319-R323 VanDerWaalsContact CG2-NE 3.34Å; I319-R323 VanDerWaalsContact O-CB 3.31Å; I319-R323 WeakPolarHBondContact O-CB 3.26Å; I319-R323 WeakPolarHBondContact O-CG 3.39Å; I319-R323 PolarHBondContact O-N 3.09Å
320	V	98.8	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-42.2	-176.8	175.7	0	0	0	0	111.5	Y148 Q151 V152 L316 R317 N318 R323 L324 I334	Y148-V320 HydrophobicContact CD2-CG1 3.47Å; Y148-V320 VanDerWaalsContact CD2-CG1 3.47Å; Y148-V320 HydrophobicContact CE2-CB 4.29Å; Y148-V320 HydrophobicContact CE2-CG1 3.63Å; Y148-V320 HydrophobicContact CG-CG1 4.12Å; Q151-V320 HydrophobicContact CB-CB 4.49Å; Q151-V320 HydrophobicContact CB-CG1 4.16Å; Q151-V320 HydrophobicContact CB-CG2 3.99Å; V152-V320 HydrophobicContact CG2-CG2 3.71Å; L316-V320 WeakPolarHBondContact O-CG2 3.41Å; L316-V320 PolarHBondContact O-N 3.24Å; L316-V320 VanDerWaalsContact O-N 3.07Å; R317-V320 PolarHBondContact O-N 3.42Å; N318-V320 VanDerWaalsContact C-N 3.31Å; N318-V320 PolarHBondContact O-N 3.14Å; V320-R323 PolarHBondContact O-N 3.34Å; V320-L324 HydrophobicContact CG1-CD1 3.67Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 WeakPolarHBondContact O-CG 3.08Å; V320-L324 PolarHBondContact O-N 2.63Å; V320-I334 HydrophobicContact CG1-CG2 3.96Å
321	A	98.9	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-46.1	177.1	0	0	0	0	0	111.9	R317 N318 R323 L324 A325 W331 I334 F335	R317-A321 WeakPolarHBondContact O-CB 3.46Å; R317-A321 PolarHBondContact O-N 2.93Å; N318-A321 PolarHBondContact O-N 3.16Å; A321-R323 VanDerWaalsContact C-N 3.26Å; A321-R323 PolarHBondContact O-N 2.63Å; A321-L324 PolarHBondContact O-N 2.69Å; A321-A325 WeakPolarHBondContact O-CB 3.25Å; A321-A325 PolarHBondContact O-N 3.39Å; A321-W331 HydrophobicContact CB-CD2 3.93Å; A321-W331 HydrophobicContact CB-CG 4.08Å; A321-W331 HydrophobicContact CB-CZ2 3.98Å; A321-I334 HydrophobicContact CB-CB 4.38Å; A321-I334 HydrophobicContact CB-CG2 4.07Å; A321-F335 HydrophobicContact CB-CB 3.94Å; A321-F335 HydrophobicContact CB-CD2 4.44Å
322	N	98.9	Very high	98.6	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-34.7	176.7	-72.8	-13.9	0	0	0	112.8	G263 Y282 L284 T290 N318 I319 W331	G263-N322 WeakPolarHBondContact CA-O 3.15Å; Y282-N322 WeakPolarHBondContact CE1-ND2 3.18Å; L284-N322 HydrophobicContact CD1-CB 3.89Å; L284-N322 HydrophobicContact CD2-CB 3.98Å; T290-N322 PolarHBondContact OG1-OD1 2.99Å; T290-N322 VanDerWaalsContact OG1-OD1 3.04Å; N318-N322 WeakPolarHBondContact O-CB 3.46Å; N318-N322 PolarHBondContact O-N 2.79Å; N318-N322 PolarHBondContact OD1-ND2 3.11Å; I319-N322 PolarHBondContact O-N 2.78Å; N322-W331 PolarHBondContact OD1-NE1 3.18Å
323	R	98.6	Very high	98.6	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-73.6	-44.4	179.7	-78.2	-176.8	-177.9	174.3	3.8	112.5	Q151 L261 G263 I319 V320 A321	Q151-R323 PolarHBondContact O-NH1 3.25Å; L261-R323 HydrophobicContact CD1-CB 4.02Å; L261-R323 VanDerWaalsContact CD1-O 3.22Å; L261-R323 WeakPolarHBondContact CD1-O 3.38Å; L261-R323 HydrophobicContact CD2-CB 3.86Å; L261-R323 HydrophobicContact CD2-CG 3.87Å; L261-R323 HydrophobicContact CG-CB 4.25Å; L261-R323 VanDerWaalsContact CG-O 3.3Å; L261-R323 WeakPolarHBondContact CG-O 3.18Å; G263-R323 PolarHBondContact N-O 3.09Å; I319-R323 HydrophobicContact CG2-CG 4.32Å; I319-R323 VanDerWaalsContact CG2-CZ 3.41Å; I319-R323 VanDerWaalsContact CG2-NE 3.34Å; I319-R323 VanDerWaalsContact O-CB 3.31Å; I319-R323 WeakPolarHBondContact O-CB 3.26Å; I319-R323 WeakPolarHBondContact O-CG 3.39Å; I319-R323 PolarHBondContact O-N 3.09Å; V320-R323 PolarHBondContact O-N 3.34Å; A321-R323 VanDerWaalsContact C-N 3.26Å; A321-R323 PolarHBondContact O-N 2.63Å
324	L	98.7	Very high	98.7	Very high	16 Å²	16	19.5 Å²	19.5	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-93.7	-29.9	-168.2	-70	176.4	0	0	0	114.5	P147 Q151 T253 L261 P262 V320 A321 I334	P147-L324 HydrophobicContact CB-CD2 4.35Å; Q151-L324 HydrophobicContact CG-CD1 4.01Å; Q151-L324 HydrophobicContact CG-CD2 3.7Å; Q151-L324 HydrophobicContact CG-CG 3.79Å; T253-L324 HydrophobicContact CG2-CD2 3.83Å; L261-L324 HydrophobicContact CD1-CD2 3.98Å; P262-L324 WeakPolarHBondContact CG-O 3.49Å; V320-L324 HydrophobicContact CG1-CD1 3.67Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 WeakPolarHBondContact O-CG 3.08Å; V320-L324 PolarHBondContact O-N 2.63Å; A321-L324 PolarHBondContact O-N 2.69Å; L324-I334 HydrophobicContact CB-CD1 3.71Å
325	A	98.6	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.			trans	-75.4	139.3	-168.8	0	0	0	0	0	113.8	S286 L288 A321 W331 I334	S286-A325 WeakPolarHBondContact CB-O 3.25Å; S286-A325 PolarHBondContact OG-O 3.16Å; L288-A325 HydrophobicContact CD1-CB 4Å; A321-A325 WeakPolarHBondContact O-CB 3.25Å; A321-A325 PolarHBondContact O-N 3.39Å; A325-W331 VanDerWaalsContact CB-CA 3.44Å; A325-W331 HydrophobicContact CB-CB 3.54Å; A325-W331 HydrophobicContact CB-CG 4.07Å; A325-I334 HydrophobicContact CB-CD1 4.25Å
326	T	98.3	Very high	98.7	Very high	66 Å²	66	20.7 Å²	20.7	41%	0.405	11%	0.11	S	C	.	.	S	Bend	trans	-106.2	-19.5	172.6	63.1	0	0	0	0	113.2	P262 E330	P262-T326 HydrophobicContact CB-CG2 3.82Å; P262-T326 HydrophobicContact CG-CG2 3.8Å; T326-E330 WeakPolarHBondContact CB-OE2 3.26Å; T326-E330 PolarHBondContact N-OE2 3.37Å; T326-E330 PolarHBondContact OG1-OE2 3.2Å
327	T	98.7	Very high	98.7	Very high	57 Å²	57	25.2 Å²	25.2	35%	0.35	13%	0.129	S	C	.	.	S	Bend	trans	-135.2	162.2	178.2	68.3	0	0	0	0	111	H329 E330 W331	T327-H329 VanDerWaalsContact C-N 3.31Å; T327-H329 PolarHBondContact O-N 2.77Å; T327-E330 PolarHBondContact O-N 2.77Å; T327-E330 WeakPolarHBondContact OG1-CB 3.43Å; T327-E330 PolarHBondContact OG1-N 2.94Å; T327-W331 PolarHBondContact O-N 3.26Å
328	G	98.6	Very high	98.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-34.5	176.8	0	0	0	0	0	114.6	A332	G328-A332 PolarHBondContact O-N 3.46Å; G328-A332 VanDerWaalsContact O-N 3.12Å
329	H	98.6	Very high	98.6	Very high	71 Å²	71	29.7 Å²	29.7	33%	0.329	15%	0.148	S	C	.	.	H	α-helix	trans	-70.3	-44.3	176.4	-79.3	93.3	0	0	0	111.5	T327 W331 A332 E333 D382	T327-H329 VanDerWaalsContact C-N 3.31Å; T327-H329 PolarHBondContact O-N 2.77Å; H329-W331 VanDerWaalsContact C-N 3.29Å; H329-W331 PolarHBondContact O-N 3.1Å; H329-A332 WeakPolarHBondContact O-CB 3.3Å; H329-A332 PolarHBondContact O-N 3.25Å; H329-A332 VanDerWaalsContact O-N 3.17Å; H329-E333 WeakPolarHBondContact O-CG 3.15Å; H329-E333 PolarHBondContact O-N 3.27Å; H329-D382 IonicContact CE1-OD2 2.63Å
330	E	98.6	Very high	98.5	Very high	62 Å²	62	29.7 Å²	29.7	29%	0.29	15%	0.148	S	C	.	.	H	α-helix	trans	-61.8	-40.2	176.5	-171.1	-175.3	-169.2	0	0	111.3	T326 T327 A332 E333 I334	T326-E330 WeakPolarHBondContact CB-OE2 3.26Å; T326-E330 PolarHBondContact N-OE2 3.37Å; T326-E330 PolarHBondContact OG1-OE2 3.2Å; T327-E330 PolarHBondContact O-N 2.77Å; T327-E330 WeakPolarHBondContact OG1-CB 3.43Å; T327-E330 PolarHBondContact OG1-N 2.94Å; E330-A332 VanDerWaalsContact C-N 3.32Å; E330-A332 PolarHBondContact O-N 2.61Å; E330-E333 PolarHBondContact O-N 2.83Å; E330-I334 HydrophobicContact CG-CD1 3.75Å; E330-I334 HydrophobicContact CG-CG1 4.42Å; E330-I334 WeakPolarHBondContact O-CB 3.28Å; E330-I334 WeakPolarHBondContact O-CD1 3.46Å; E330-I334 VanDerWaalsContact O-CG1 3.26Å; E330-I334 WeakPolarHBondContact O-CG1 3.32Å; E330-I334 PolarHBondContact O-N 3.38Å
331	W	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.3	-49.1	173.6	-169	99.6	0	0	0	111	L288 T290 A321 N322 A325 T327 H329 E333 I334 F335 W347 I349 L370	L288-W331 HydrophobicContact CD1-CB 4.4Å; T290-W331 HydrophobicContact CG2-CD2 4.45Å; T290-W331 HydrophobicContact CG2-CG 4.4Å; A321-W331 HydrophobicContact CB-CD2 3.93Å; A321-W331 HydrophobicContact CB-CG 4.08Å; A321-W331 HydrophobicContact CB-CZ2 3.98Å; N322-W331 PolarHBondContact OD1-NE1 3.18Å; A325-W331 VanDerWaalsContact CB-CA 3.44Å; A325-W331 HydrophobicContact CB-CB 3.54Å; A325-W331 HydrophobicContact CB-CG 4.07Å; T327-W331 PolarHBondContact O-N 3.26Å; H329-W331 VanDerWaalsContact C-N 3.29Å; H329-W331 PolarHBondContact O-N 3.1Å; W331-E333 PolarHBondContact O-N 3.47Å; W331-I334 PolarHBondContact O-N 3.36Å; W331-F335 HydrophobicContact CE3-CB 4Å; W331-F335 HydrophobicContact CE3-CG 4.5Å; W331-F335 HydrophobicContact CH2-CB 3.91Å; W331-F335 HydrophobicContact CH2-CD1 4.13Å; W331-F335 AromaticContact CH2-CD2 3.56Å; W331-F335 HydrophobicContact CH2-CD2 3.56Å; W331-F335 HydrophobicContact CH2-CE2 4.05Å; W331-F335 AromaticContact CH2-CG 3.59Å; W331-F335 HydrophobicContact CH2-CG 3.59Å; W331-F335 HydrophobicContact CZ2-CB 4.5Å; W331-F335 HydrophobicContact CZ2-CD2 4.07Å; W331-F335 HydrophobicContact CZ2-CG 4.39Å; W331-F335 HydrophobicContact CZ3-CB 3.66Å; W331-F335 HydrophobicContact CZ3-CD1 4.03Å; W331-F335 HydrophobicContact CZ3-CD2 4.15Å; W331-F335 AromaticContact CZ3-CG 3.68Å; W331-F335 HydrophobicContact CZ3-CG 3.68Å; W331-F335 VanDerWaalsContact O-CB 3.31Å; W331-F335 WeakPolarHBondContact O-CB 3.29Å; W331-F335 PolarHBondContact O-N 3.23Å; W331-W347 HydrophobicContact CH2-CB 4.02Å; W331-W347 AromaticContact CH2-CD2 3.26Å; W331-W347 HydrophobicContact CH2-CD2 3.26Å; W331-W347 AromaticContact CH2-CE2 3.71Å; W331-W347 AromaticContact CH2-CE3 3.47Å; W331-W347 HydrophobicContact CH2-CE3 3.47Å; W331-W347 VanDerWaalsContact CH2-CE3 3.47Å; W331-W347 AromaticContact CH2-CG 3.52Å; W331-W347 HydrophobicContact CH2-CG 3.52Å; W331-W347 HydrophobicContact CH2-CH2 4.43Å; W331-W347 HydrophobicContact CH2-CZ2 4.29Å; W331-W347 HydrophobicContact CH2-CZ3 4.06Å; W331-W347 AromaticContact CZ2-CD2 3.94Å; W331-W347 HydrophobicContact CZ2-CD2 3.94Å; W331-W347 AromaticContact CZ2-CE3 3.7Å; W331-W347 HydrophobicContact CZ2-CE3 3.7Å; W331-W347 HydrophobicContact CZ2-CH2 4.23Å; W331-W347 HydrophobicContact CZ2-CZ2 4.46Å; W331-W347 AromaticContact CZ2-CZ3 3.85Å; W331-W347 HydrophobicContact CZ2-CZ3 3.85Å; W331-W347 HydrophobicContact CZ3-CB 3.87Å; W331-W347 HydrophobicContact CZ3-CD2 4.05Å; W331-W347 HydrophobicContact CZ3-CE3 4.32Å; W331-W347 AromaticContact CZ3-CG 3.85Å; W331-W347 HydrophobicContact CZ3-CG 3.85Å; W331-I349 HydrophobicContact CB-CG1 4.38Å; W331-I349 HydrophobicContact CB-CG2 4.3Å; W331-I349 HydrophobicContact CD2-CD1 4.25Å; W331-I349 HydrophobicContact CD2-CG1 3.71Å; W331-I349 HydrophobicContact CE3-CD1 3.52Å; W331-I349 HydrophobicContact CE3-CG1 3.51Å; W331-I349 HydrophobicContact CG-CG1 4.08Å; W331-I349 HydrophobicContact CG-CG2 4.42Å; W331-I349 HydrophobicContact CZ3-CD1 3.86Å; W331-I349 HydrophobicContact CZ3-CG1 4.14Å; W331-L370 HydrophobicContact CZ3-CD1 4.47Å
332	A	98.8	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-41.9	179	0	0	0	0	0	112.5	G328 H329 E330 S336 V368 L370 Y380	G328-A332 PolarHBondContact O-N 3.46Å; G328-A332 VanDerWaalsContact O-N 3.12Å; H329-A332 WeakPolarHBondContact O-CB 3.3Å; H329-A332 PolarHBondContact O-N 3.25Å; H329-A332 VanDerWaalsContact O-N 3.17Å; E330-A332 VanDerWaalsContact C-N 3.32Å; E330-A332 PolarHBondContact O-N 2.61Å; A332-S336 VanDerWaalsContact O-CB 3.32Å; A332-S336 WeakPolarHBondContact O-CB 3.18Å; A332-S336 PolarHBondContact O-N 2.78Å; A332-S336 PolarHBondContact O-OG 3.2Å; A332-V368 HydrophobicContact CB-CG1 4.21Å; A332-L370 HydrophobicContact CB-CD1 3.74Å; A332-Y380 HydrophobicContact CB-CD1 3.95Å; A332-Y380 HydrophobicContact CB-CD2 3.7Å; A332-Y380 HydrophobicContact CB-CE1 4.44Å; A332-Y380 HydrophobicContact CB-CE2 4.24Å; A332-Y380 HydrophobicContact CB-CG 3.56Å
333	E	98.6	Very high	98.2	Very high	107 Å²	107	30.2 Å²	30.2	50%	0.5	15%	0.15	S	C	.	.	H	α-helix	trans	-63.9	-43.5	176.6	-74.5	-179.4	165.1	0	0	112.7	H329 E330 W331 Y380	H329-E333 WeakPolarHBondContact O-CG 3.15Å; H329-E333 PolarHBondContact O-N 3.27Å; E330-E333 PolarHBondContact O-N 2.83Å; W331-E333 PolarHBondContact O-N 3.47Å; E333-Y380 WeakPolarHBondContact CG-OH 3.4Å
334	I	98.8	Very high	98.1	Very high	11 Å²	11	30 Å²	30	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-66.8	-48.1	178.9	-67.3	163	0	0	0	110.2	Y148 V320 A321 L324 A325 E330 W331 S336 K337	Y148-I334 HydrophobicContact CD2-CG2 4.17Å; Y148-I334 HydrophobicContact CE2-CG2 4.27Å; V320-I334 HydrophobicContact CG1-CG2 3.96Å; A321-I334 HydrophobicContact CB-CB 4.38Å; A321-I334 HydrophobicContact CB-CG2 4.07Å; L324-I334 HydrophobicContact CB-CD1 3.71Å; A325-I334 HydrophobicContact CB-CD1 4.25Å; E330-I334 HydrophobicContact CG-CD1 3.75Å; E330-I334 HydrophobicContact CG-CG1 4.42Å; E330-I334 WeakPolarHBondContact O-CB 3.28Å; E330-I334 WeakPolarHBondContact O-CD1 3.46Å; E330-I334 VanDerWaalsContact O-CG1 3.26Å; E330-I334 WeakPolarHBondContact O-CG1 3.32Å; E330-I334 PolarHBondContact O-N 3.38Å; W331-I334 PolarHBondContact O-N 3.36Å; I334-S336 VanDerWaalsContact C-N 3.25Å; I334-S336 PolarHBondContact O-N 3.41Å; I334-K337 WeakPolarHBondContact O-CB 3.04Å; I334-K337 PolarHBondContact O-N 2.99Å
335	F	98.8	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-30.9	-179.5	-176.8	-97.2	0	0	0	113.1	E314 R317 N318 A321 W331 K337 W347 L370 Q372	E314-F335 HydrophobicContact CG-CE2 4.1Å; E314-F335 HydrophobicContact CG-CZ 3.78Å; E314-F335 VanDerWaalsContact OE1-CE2 3.3Å; E314-F335 WeakPolarHBondContact OE1-CE2 3.47Å; E314-F335 WeakPolarHBondContact OE1-CZ 3.23Å; R317-F335 HydrophobicContact CB-CD2 3.9Å; R317-F335 HydrophobicContact CB-CE2 4.02Å; R317-F335 VanDerWaalsContact NH1-CZ 3.3Å; R317-F335 PolarHBondContact NH1-O 2.81Å; N318-F335 HydrophobicContact CB-CE2 4.2Å; A321-F335 HydrophobicContact CB-CB 3.94Å; A321-F335 HydrophobicContact CB-CD2 4.44Å; W331-F335 HydrophobicContact CE3-CB 4Å; W331-F335 HydrophobicContact CE3-CG 4.5Å; W331-F335 HydrophobicContact CH2-CB 3.91Å; W331-F335 HydrophobicContact CH2-CD1 4.13Å; W331-F335 AromaticContact CH2-CD2 3.56Å; W331-F335 HydrophobicContact CH2-CD2 3.56Å; W331-F335 HydrophobicContact CH2-CE2 4.05Å; W331-F335 AromaticContact CH2-CG 3.59Å; W331-F335 HydrophobicContact CH2-CG 3.59Å; W331-F335 HydrophobicContact CZ2-CB 4.5Å; W331-F335 HydrophobicContact CZ2-CD2 4.07Å; W331-F335 HydrophobicContact CZ2-CG 4.39Å; W331-F335 HydrophobicContact CZ3-CB 3.66Å; W331-F335 HydrophobicContact CZ3-CD1 4.03Å; W331-F335 HydrophobicContact CZ3-CD2 4.15Å; W331-F335 AromaticContact CZ3-CG 3.68Å; W331-F335 HydrophobicContact CZ3-CG 3.68Å; W331-F335 VanDerWaalsContact O-CB 3.31Å; W331-F335 WeakPolarHBondContact O-CB 3.29Å; W331-F335 PolarHBondContact O-N 3.23Å; F335-K337 PolarHBondContact O-N 3.04Å; F335-W347 AromaticContact CE1-CD1 3.76Å; F335-W347 AromaticContact CE1-NE1 3.81Å; F335-W347 HydrophobicContact CE2-CZ2 4.47Å; F335-W347 AromaticContact CE2-NE1 3.79Å; F335-W347 AromaticContact CZ-CD1 3.73Å; F335-W347 AromaticContact CZ-NE1 3.26Å; F335-W347 VanDerWaalsContact CZ-NE1 3.26Å; F335-L370 HydrophobicContact CD1-CD1 3.96Å; F335-L370 HydrophobicContact CD1-CD2 3.74Å; F335-L370 HydrophobicContact CE1-CD2 3.77Å; F335-Q372 HydrophobicContact CE1-CG 4.48Å
336	S	98.5	Very high	98	Very high	30 Å²	30	29.5 Å²	29.5	21%	0.21	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.8	178.8	-63.1	0	0	0	0	113.6	A332 I334 Y338 V378	A332-S336 VanDerWaalsContact O-CB 3.32Å; A332-S336 WeakPolarHBondContact O-CB 3.18Å; A332-S336 PolarHBondContact O-N 2.78Å; A332-S336 PolarHBondContact O-OG 3.2Å; I334-S336 VanDerWaalsContact C-N 3.25Å; I334-S336 PolarHBondContact O-N 3.41Å; S336-Y338 PolarHBondContact O-N 3.35Å; S336-V378 WeakPolarHBondContact OG-CG1 3.2Å
337	K	98.1	Very high	98.1	Very high	99 Å²	99	26.3 Å²	26.3	43%	0.43	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	134.3	-179.6	-66.6	176.8	-178.7	173.4	0	110.4	Y148 R317 I334 F335 N339	Y148-K337 HydrophobicContact CD2-CD 3.99Å; Y148-K337 HydrophobicContact CE2-CB 4.09Å; Y148-K337 HydrophobicContact CE2-CD 4.23Å; R317-K337 WeakPolarHBondContact CD-O 3.45Å; I334-K337 WeakPolarHBondContact O-CB 3.04Å; I334-K337 PolarHBondContact O-N 2.99Å; F335-K337 PolarHBondContact O-N 3.04Å; K337-N339 PolarHBondContact O-N 2.54Å
338	Y	97.8	Very high	98.1	Very high	77 Å²	77	23.6 Å²	23.6	30%	0.302	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	35.7	175.9	-44.8	-74.3	0	0	0	113.9	W135 Y148 W149 T311 V312 S336 S340	W135-Y338 AromaticContact CH2-CD1 3.82Å; W135-Y338 HydrophobicContact CH2-CD1 3.82Å; W135-Y338 HydrophobicContact CH2-CE1 4.24Å; W135-Y338 HydrophobicContact CH2-CG 4.33Å; Y148-Y338 HydrophobicContact CD1-CD2 4.41Å; Y148-Y338 AromaticContact CD1-CE2 3.95Å; Y148-Y338 HydrophobicContact CD1-CE2 3.95Å; Y148-Y338 AromaticContact CE1-CD2 3.64Å; Y148-Y338 HydrophobicContact CE1-CD2 3.64Å; Y148-Y338 AromaticContact CE1-CE2 3.62Å; Y148-Y338 HydrophobicContact CE1-CE2 3.62Å; Y148-Y338 AromaticContact CZ-CD2 3.73Å; W149-Y338 HydrophobicContact CH2-CD2 4.4Å; W149-Y338 HydrophobicContact CH2-CE2 4.25Å; W149-Y338 HydrophobicContact CZ2-CD2 4.07Å; W149-Y338 HydrophobicContact CZ2-CE1 4.02Å; W149-Y338 AromaticContact CZ2-CE2 3.5Å; W149-Y338 HydrophobicContact CZ2-CE2 3.5Å; W149-Y338 VanDerWaalsContact CZ2-CE2 3.5Å; W149-Y338 AromaticContact CZ2-CZ 3.47Å; W149-Y338 VanDerWaalsContact CZ2-CZ 3.47Å; W149-Y338 PolarHBondContact NE1-OH 3.43Å; T311-Y338 CarbonylContact C-O 3.53Å; T311-Y338 WeakPolarHBondContact CA-O 3.42Å; V312-Y338 HydrophobicContact CG2-CD2 4.11Å; V312-Y338 HydrophobicContact CG2-CG 4.09Å; V312-Y338 PolarHBondContact N-O 2.81Å; S336-Y338 PolarHBondContact O-N 3.35Å; Y338-S340 PolarHBondContact O-N 3.34Å; Y338-S340 VanDerWaalsContact O-N 3.14Å
339	N	98	Very high	98.1	Very high	18 Å²	18	23.6 Å²	23.6	10%	0.096	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-46	121.5	178.3	175.4	13.3	0	0	0	111.5	K337 G341 Q372 I373 G376 V378	K337-N339 PolarHBondContact O-N 2.54Å; N339-G341 PolarHBondContact OD1-N 2.87Å; N339-Q372 PolarHBondContact OD1-OE1 3.31Å; N339-I373 PolarHBondContact ND2-O 3.13Å; N339-G376 WeakPolarHBondContact ND2-CA 3.3Å; N339-V378 HydrophobicContact CB-CG2 4.08Å; N339-V378 VanDerWaalsContact ND2-CG2 3.35Å; N339-V378 WeakPolarHBondContact ND2-CG2 3.19Å
340	S	97.4	Very high	98.1	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.028	10%	0.095	C	C	.	.			trans	-80	-22.1	-179.7	52.4	0	0	0	0	114.3	V312 R317 Y338 T342	V312-S340 WeakPolarHBondContact O-CB 3.38Å; V312-S340 PolarHBondContact O-OG 2.75Å; R317-S340 PolarHBondContact NH2-OG 3.18Å; Y338-S340 PolarHBondContact O-N 3.34Å; Y338-S340 VanDerWaalsContact O-N 3.14Å; S340-T342 VanDerWaalsContact CB-OG1 3.22Å; S340-T342 WeakPolarHBondContact CB-OG1 3.4Å; S340-T342 PolarHBondContact O-N 2.92Å; S340-T342 PolarHBondContact OG-N 2.97Å; S340-T342 PolarHBondContact OG-OG1 3.36Å
341	G	96.7	Very high	98.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	8%	0.082	C	C	.	.	S	Bend	trans	68.4	21.3	-167.6	0	0	0	0	0	113.3	N339 N344 P374	N339-G341 PolarHBondContact OD1-N 2.87Å; G341-N344 VanDerWaalsContact C-OD1 3.31Å; G341-N344 PolarHBondContact O-ND2 3.32Å; G341-N344 PolarHBondContact O-OD1 3.12Å; G341-P374 WeakPolarHBondContact O-CG 3.23Å
342	T	96.6	Very high	98.1	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	8%	0.083	C	C	.	.			trans	-119.8	151	176.2	53.7	0	0	0	0	109.2	D192 D195 L196 V306 E314 S340	D192-T342 WeakPolarHBondContact OD1-CB 3.33Å; D192-T342 PolarHBondContact OD1-OG1 3.09Å; D195-T342 HydrophobicContact CB-CG2 4.12Å; D195-T342 WeakPolarHBondContact OD2-CA 3.39Å; L196-T342 HydrophobicContact CD2-CG2 3.89Å; L196-T342 HydrophobicContact CG-CG2 3.9Å; V306-T342 HydrophobicContact CG1-CG2 3.69Å; E314-T342 WeakPolarHBondContact CB-O 3.32Å; S340-T342 VanDerWaalsContact CB-OG1 3.22Å; S340-T342 WeakPolarHBondContact CB-OG1 3.4Å; S340-T342 PolarHBondContact O-N 2.92Å; S340-T342 PolarHBondContact OG-N 2.97Å; S340-T342 PolarHBondContact OG-OG1 3.36Å
343	Y	96.2	Very high	98	Very high	9 Å²	9	22.7 Å²	22.7	4%	0.035	11%	0.11	C	C	.	.	S	Bend	trans	47.5	63.2	-167.3	-156.8	-153.9	0	0	0	111.9	D195 G278 T294 E314 N345 Q372	D195-Y343 WeakPolarHBondContact OD2-CA 3.08Å; D195-Y343 PolarHBondContact OD2-N 3.46Å; G278-Y343 PolarHBondContact O-OH 3.29Å; T294-Y343 HydrophobicContact CG2-CD2 4.01Å; T294-Y343 HydrophobicContact CG2-CE2 4.05Å; T294-Y343 VanDerWaalsContact OG1-CE2 3.24Å; T294-Y343 WeakPolarHBondContact OG1-CE2 3.34Å; E314-Y343 HydrophobicContact CB-CD1 4.35Å; E314-Y343 HydrophobicContact CG-CD1 4.13Å; E314-Y343 HydrophobicContact CG-CG 4.44Å; E314-Y343 WeakPolarHBondContact OE2-CD1 3.13Å; Y343-N345 VanDerWaalsContact C-OD1 3.31Å; Y343-N345 VanDerWaalsContact CD1-ND2 3.35Å; Y343-N345 WeakPolarHBondContact CD1-ND2 3.23Å; Y343-N345 WeakPolarHBondContact CD2-OD1 3.37Å; Y343-N345 PolarHBondContact O-N 2.93Å; Y343-N345 PolarHBondContact O-ND2 3.05Å; Y343-N345 VanDerWaalsContact O-ND2 3.13Å; Y343-N345 PolarHBondContact O-OD1 3.49Å; Y343-N345 VanDerWaalsContact O-OD1 3.07Å; Y343-Q372 PolarHBondContact O-NE2 2.92Å
344	N	96.6	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.			trans	-74.8	112.8	-172	-63.2	-70.6	0	0	0	111.1	D195 T294 I295 G296 G341 Q372 I373	D195-N344 VanDerWaalsContact CG-ND2 3.26Å; D195-N344 PolarHBondContact OD1-ND2 2.6Å; D195-N344 PolarHBondContact OD2-N 2.88Å; D195-N344 PolarHBondContact OD2-ND2 3.18Å; T294-N344 CarbonylContact C-O 3.56Å; T294-N344 WeakPolarHBondContact CG2-O 3.22Å; I295-N344 HydrophobicContact CG1-CB 4.44Å; I295-N344 WeakPolarHBondContact CG1-O 3.27Å; I295-N344 PolarHBondContact N-O 3.23Å; G296-N344 PolarHBondContact N-O 2.91Å; G341-N344 VanDerWaalsContact C-OD1 3.31Å; G341-N344 PolarHBondContact O-ND2 3.32Å; G341-N344 PolarHBondContact O-OD1 3.12Å; N344-Q372 WeakPolarHBondContact CB-O 3.35Å; N344-I373 VanDerWaalsContact OD1-CA 3.24Å; N344-I373 WeakPolarHBondContact OD1-CA 3.42Å
345	N	97.6	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.7	-162.1	-64.9	-13.1	0	0	0	112.2	E292 T294 E314 Y343 E371 Q372	E292-N345 HydrophobicContact CB-CB 4.08Å; E292-N345 HydrophobicContact CG-CB 4.27Å; E292-N345 WeakPolarHBondContact OE2-CB 3.23Å; E292-N345 PolarHBondContact OE2-ND2 2.83Å; E292-N345 PolarHBondContact OE2-OD1 3.11Å; T294-N345 WeakPolarHBondContact CA-OD1 3.36Å; T294-N345 WeakPolarHBondContact CG2-OD1 3.42Å; T294-N345 PolarHBondContact OG1-OD1 2.6Å; E314-N345 PolarHBondContact OE1-ND2 2.87Å; Y343-N345 VanDerWaalsContact C-OD1 3.31Å; Y343-N345 VanDerWaalsContact CD1-ND2 3.35Å; Y343-N345 WeakPolarHBondContact CD1-ND2 3.23Å; Y343-N345 WeakPolarHBondContact CD2-OD1 3.37Å; Y343-N345 PolarHBondContact O-N 2.93Å; Y343-N345 PolarHBondContact O-ND2 3.05Å; Y343-N345 VanDerWaalsContact O-ND2 3.13Å; Y343-N345 PolarHBondContact O-OD1 3.49Å; Y343-N345 VanDerWaalsContact O-OD1 3.07Å; N345-E371 WeakPolarHBondContact O-CA 3.5Å; N345-Q372 PolarHBondContact O-N 2.93Å
346	Q	98.6	Very high	97.9	Very high	4 Å²	4	22 Å²	22	2%	0.019	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.6	158.3	179.6	-172	92.3	0	0	108.5	E292 T293 I295 V369 L370 E371 S395 Y400	E292-Q346 CarbonylContact C-O 3.6Å; E292-Q346 WeakPolarHBondContact CA-O 3.49Å; E292-Q346 WeakPolarHBondContact CB-O 3.34Å; T293-Q346 PolarHBondContact N-O 2.9Å; T293-Q346 PolarHBondContact O-N 2.78Å; I295-Q346 HydrophobicContact CG2-CB 3.91Å; Q346-V369 HydrophobicContact CG-CG1 3.75Å; Q346-L370 CarbonylContact C-O 3.58Å; Q346-L370 WeakPolarHBondContact CA-O 3.19Å; Q346-E371 HydrophobicContact CB-CG 3.91Å; Q346-E371 HydrophobicContact CG-CG 3.83Å; Q346-E371 PolarHBondContact NE2-OE1 3.35Å; Q346-S395 PolarHBondContact OE1-OG 3.43Å; Q346-Y400 VanDerWaalsContact NE2-CB 3.27Å
347	W	98.8	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.6	175.6	-80.4	95.7	0	0	0	111.3	D280 Y282 L291 E292 E314 N318 W331 F335 I349 V369 L370	D280-W347 HydrophobicContact CB-CH2 3.52Å; D280-W347 HydrophobicContact CB-CZ2 4.09Å; D280-W347 HydrophobicContact CB-CZ3 4.11Å; D280-W347 WeakPolarHBondContact OD2-CZ2 3.4Å; Y282-W347 HydrophobicContact CE2-CH2 4.34Å; L291-W347 CarbonylContact O-C 3.59Å; L291-W347 WeakPolarHBondContact O-CA 3.25Å; E292-W347 HydrophobicContact CB-CD2 3.71Å; E292-W347 HydrophobicContact CB-CE3 3.99Å; E292-W347 HydrophobicContact CB-CG 4.06Å; E292-W347 HydrophobicContact CB-CZ2 4.28Å; E292-W347 HydrophobicContact CB-CZ3 4.41Å; E292-W347 HydrophobicContact CG-CD2 4.46Å; E292-W347 HydrophobicContact CG-CH2 4.42Å; E292-W347 HydrophobicContact CG-CZ2 4.14Å; E314-W347 WeakPolarHBondContact OE1-CZ2 3.23Å; E314-W347 PolarHBondContact OE1-NE1 3.33Å; E314-W347 VanDerWaalsContact OE1-NE1 3.07Å; N318-W347 HydrophobicContact CB-CH2 4.44Å; N318-W347 HydrophobicContact CB-CZ2 4.21Å; N318-W347 VanDerWaalsContact ND2-CH2 3.33Å; N318-W347 WeakPolarHBondContact ND2-CH2 3.46Å; N318-W347 WeakPolarHBondContact ND2-CZ2 3.42Å; W331-W347 HydrophobicContact CH2-CB 4.02Å; W331-W347 AromaticContact CH2-CD2 3.26Å; W331-W347 HydrophobicContact CH2-CD2 3.26Å; W331-W347 AromaticContact CH2-CE2 3.71Å; W331-W347 AromaticContact CH2-CE3 3.47Å; W331-W347 HydrophobicContact CH2-CE3 3.47Å; W331-W347 VanDerWaalsContact CH2-CE3 3.47Å; W331-W347 AromaticContact CH2-CG 3.52Å; W331-W347 HydrophobicContact CH2-CG 3.52Å; W331-W347 HydrophobicContact CH2-CH2 4.43Å; W331-W347 HydrophobicContact CH2-CZ2 4.29Å; W331-W347 HydrophobicContact CH2-CZ3 4.06Å; W331-W347 AromaticContact CZ2-CD2 3.94Å; W331-W347 HydrophobicContact CZ2-CD2 3.94Å; W331-W347 AromaticContact CZ2-CE3 3.7Å; W331-W347 HydrophobicContact CZ2-CE3 3.7Å; W331-W347 HydrophobicContact CZ2-CH2 4.23Å; W331-W347 HydrophobicContact CZ2-CZ2 4.46Å; W331-W347 AromaticContact CZ2-CZ3 3.85Å; W331-W347 HydrophobicContact CZ2-CZ3 3.85Å; W331-W347 HydrophobicContact CZ3-CB 3.87Å; W331-W347 HydrophobicContact CZ3-CD2 4.05Å; W331-W347 HydrophobicContact CZ3-CE3 4.32Å; W331-W347 AromaticContact CZ3-CG 3.85Å; W331-W347 HydrophobicContact CZ3-CG 3.85Å; F335-W347 AromaticContact CE1-CD1 3.76Å; F335-W347 AromaticContact CE1-NE1 3.81Å; F335-W347 HydrophobicContact CE2-CZ2 4.47Å; F335-W347 AromaticContact CE2-NE1 3.79Å; F335-W347 AromaticContact CZ-CD1 3.73Å; F335-W347 AromaticContact CZ-NE1 3.26Å; F335-W347 VanDerWaalsContact CZ-NE1 3.26Å; W347-I349 HydrophobicContact CB-CD1 4.14Å; W347-V369 CarbonylContact O-C 3.6Å; W347-V369 VanDerWaalsContact O-CA 3.29Å; W347-V369 WeakPolarHBondContact O-CA 3.49Å; W347-L370 HydrophobicContact CB-CB 4.18Å; W347-L370 HydrophobicContact CB-CD2 4.28Å; W347-L370 PolarHBondContact N-O 3.26Å; W347-L370 PolarHBondContact O-N 3.3Å
348	M	98.9	Very high	97.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.8	171.3	-63.7	144.9	-76.8	0	0	108.1	A216 I218 T290 L291 L367 V369	A216-M348 HydrophobicContact CB-CE 3.9Å; A216-M348 HydrophobicContact CB-SD 4.05Å; I218-M348 HydrophobicContact CD1-CB 3.84Å; I218-M348 HydrophobicContact CD1-CG 4.16Å; I218-M348 HydrophobicContact CD1-SD 4.26Å; T290-M348 WeakPolarHBondContact CA-O 3.48Å; L291-M348 HydrophobicContact CD1-CE 4.47Å; L291-M348 HydrophobicContact CD2-CB 3.84Å; L291-M348 WeakPolarHBondContact CD2-O 3.48Å; L291-M348 HydrophobicContact CG-CB 4.22Å; L291-M348 HydrophobicContact CG-CE 3.96Å; L291-M348 HydrophobicContact CG-SD 4.44Å; L291-M348 PolarHBondContact N-O 3.32Å; L291-M348 VanDerWaalsContact N-O 3.08Å; L291-M348 PolarHBondContact O-N 2.86Å; M348-L367 HydrophobicContact CB-CD1 4.25Å; M348-V369 HydrophobicContact CG-CG2 4.26Å
349	I	98.9	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	108.8	-178.7	-52.9	88	0	0	0	107.9	L288 T290 W331 W347 L367 V368	L288-I349 HydrophobicContact CB-CG2 4.5Å; L288-I349 HydrophobicContact CD1-CG2 4.21Å; L288-I349 HydrophobicContact CD2-CG2 4.21Å; T290-I349 HydrophobicContact CG2-CB 4.45Å; T290-I349 HydrophobicContact CG2-CG1 4.13Å; T290-I349 HydrophobicContact CG2-CG2 3.91Å; W331-I349 HydrophobicContact CB-CG1 4.38Å; W331-I349 HydrophobicContact CB-CG2 4.3Å; W331-I349 HydrophobicContact CD2-CD1 4.25Å; W331-I349 HydrophobicContact CD2-CG1 3.71Å; W331-I349 HydrophobicContact CE3-CD1 3.52Å; W331-I349 HydrophobicContact CE3-CG1 3.51Å; W331-I349 HydrophobicContact CG-CG1 4.08Å; W331-I349 HydrophobicContact CG-CG2 4.42Å; W331-I349 HydrophobicContact CZ3-CD1 3.86Å; W331-I349 HydrophobicContact CZ3-CG1 4.14Å; W347-I349 HydrophobicContact CB-CD1 4.14Å; I349-L367 WeakPolarHBondContact O-CA 3.1Å; I349-V368 WeakPolarHBondContact CD1-O 3.24Å; I349-V368 PolarHBondContact N-O 2.91Å; I349-V368 PolarHBondContact O-N 3.35Å
350	V	98.9	Very high	97.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.8	179.3	178.2	0	0	0	0	109.1	I218 L227 V229 L288 V289 Y352 L366 L367	I218-V350 HydrophobicContact CD1-CG2 3.64Å; I218-V350 HydrophobicContact CG1-CG2 4.23Å; I218-V350 HydrophobicContact CG2-CG2 4.33Å; L227-V350 HydrophobicContact CD2-CG1 3.67Å; V229-V350 HydrophobicContact CG2-CB 4.32Å; V229-V350 HydrophobicContact CG2-CG1 4.17Å; V229-V350 HydrophobicContact CG2-CG2 3.91Å; L288-V350 CarbonylContact C-O 3.54Å; L288-V350 VanDerWaalsContact CA-O 3.31Å; L288-V350 WeakPolarHBondContact CA-O 3.3Å; V289-V350 HydrophobicContact CB-CB 4.37Å; V289-V350 PolarHBondContact N-O 3.37Å; V289-V350 PolarHBondContact O-N 2.95Å; V350-Y352 HydrophobicContact CG1-CD2 4.29Å; V350-Y352 HydrophobicContact CG1-CE2 4.19Å; V350-L366 CarbonylContact C-O 3.34Å; V350-L366 VanDerWaalsContact CA-O 3.29Å; V350-L366 WeakPolarHBondContact CA-O 3.49Å; V350-L366 HydrophobicContact CG1-CD1 4.37Å; V350-L367 HydrophobicContact CG2-CD1 3.99Å
351	D	98.8	Very high	96.9	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.027	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	96.8	176.7	-170.8	-12.2	0	0	0	110.9	L288 N353 L354 L366	L288-D351 HydrophobicContact CD2-CB 3.66Å; D351-N353 PolarHBondContact O-N 3.33Å; D351-N353 WeakPolarHBondContact OD1-CB 3.49Å; D351-N353 PolarHBondContact OD1-N 2.61Å; D351-N353 PolarHBondContact OD1-ND2 3.11Å; D351-L354 HydrophobicContact CB-CD1 4.19Å; D351-L354 HydrophobicContact CB-CG 4.38Å; D351-L354 PolarHBondContact O-N 3.04Å; D351-L354 VanDerWaalsContact O-N 3.08Å; D351-L366 PolarHBondContact N-O 3Å; D351-L366 WeakPolarHBondContact O-CD1 3.44Å
352	Y	98.5	Very high	96.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.016	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-68.4	-12.3	179.4	-82.6	-69.7	0	0	0	113.5	L227 V229 G287 V289 V350 L354 F355 T506 Y508 F511	L227-Y352 HydrophobicContact CB-CE1 4.02Å; L227-Y352 HydrophobicContact CD2-CD1 4.47Å; L227-Y352 HydrophobicContact CD2-CE1 4.05Å; L227-Y352 HydrophobicContact CG-CE1 4.21Å; L227-Y352 PolarHBondContact O-OH 3.06Å; V229-Y352 HydrophobicContact CG2-CE2 4.36Å; V229-Y352 WeakPolarHBondContact CG2-OH 3.34Å; G287-Y352 PolarHBondContact O-N 3.31Å; V289-Y352 HydrophobicContact CB-CD2 4.41Å; V289-Y352 HydrophobicContact CB-CE2 4.11Å; V289-Y352 HydrophobicContact CG2-CD2 3.75Å; V289-Y352 HydrophobicContact CG2-CE2 3.53Å; V350-Y352 HydrophobicContact CG1-CD2 4.29Å; V350-Y352 HydrophobicContact CG1-CE2 4.19Å; Y352-L354 PolarHBondContact O-N 3.21Å; Y352-F355 HydrophobicContact CD1-CB 4.39Å; Y352-F355 HydrophobicContact CD1-CD1 4.33Å; Y352-F355 PolarHBondContact O-N 2.97Å; Y352-T506 HydrophobicContact CE2-CG2 4.26Å; Y352-Y508 AromaticContact CD1-CD2 3.89Å; Y352-Y508 HydrophobicContact CD1-CD2 3.89Å; Y352-Y508 HydrophobicContact CE1-CD2 4.46Å; Y352-F511 HydrophobicContact CD2-CB 3.93Å; Y352-F511 AromaticContact CD2-CD1 3.82Å; Y352-F511 HydrophobicContact CD2-CD1 3.82Å; Y352-F511 AromaticContact CD2-CD2 3.55Å; Y352-F511 HydrophobicContact CD2-CD2 3.55Å; Y352-F511 HydrophobicContact CD2-CE1 4.35Å; Y352-F511 HydrophobicContact CD2-CE2 4.1Å; Y352-F511 AromaticContact CD2-CG 3.44Å; Y352-F511 HydrophobicContact CD2-CG 3.44Å; Y352-F511 VanDerWaalsContact CD2-CG 3.44Å; Y352-F511 HydrophobicContact CE2-CB 3.96Å; Y352-F511 HydrophobicContact CE2-CD2 4.02Å; Y352-F511 AromaticContact CE2-CG 3.94Å; Y352-F511 HydrophobicContact CE2-CG 3.94Å; Y352-F511 HydrophobicContact CG-CB 4.44Å; Y352-F511 AromaticContact CG-CD1 3.89Å; Y352-F511 HydrophobicContact CG-CD1 3.89Å; Y352-F511 HydrophobicContact CG-CD2 4.43Å; Y352-F511 HydrophobicContact CG-CE1 4.39Å; Y352-F511 AromaticContact CG-CG 3.96Å; Y352-F511 HydrophobicContact CG-CG 3.96Å
353	N	97.6	Very high	96.6	Very high	104 Å²	104	38.1 Å²	38.1	56%	0.556	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-65.6	-19.6	170.8	-57.4	-47	0	0	0	111.9	S286 G287 D351	S286-N353 PolarHBondContact O-ND2 2.77Å; G287-N353 WeakPolarHBondContact CA-ND2 3.36Å; D351-N353 PolarHBondContact O-N 3.33Å; D351-N353 WeakPolarHBondContact OD1-CB 3.49Å; D351-N353 PolarHBondContact OD1-N 2.61Å; D351-N353 PolarHBondContact OD1-ND2 3.11Å
354	L	97.8	Very high	96.6	Very high	48 Å²	48	42.4 Å²	42.4	25%	0.251	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-101.2	7.2	-178.9	-58.2	178.4	0	0	0	113.1	D351 Y352 K363 G365 L366	D351-L354 HydrophobicContact CB-CD1 4.19Å; D351-L354 HydrophobicContact CB-CG 4.38Å; D351-L354 PolarHBondContact O-N 3.04Å; D351-L354 VanDerWaalsContact O-N 3.08Å; Y352-L354 PolarHBondContact O-N 3.21Å; L354-K363 HydrophobicContact CD2-CD 4.39Å; L354-G365 VanDerWaalsContact CD1-C 3.42Å; L354-L366 HydrophobicContact CB-CB 4.41Å; L354-L366 HydrophobicContact CB-CD1 4.44Å
355	F	98	Very high	96.7	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	25%	0.253	C	S	.	.			trans	-122.7	129.2	177.6	-177.1	-100.2	0	0	0	111	L220 N224 D226 L227 Y352 P357 I362 L366 Y508	L220-F355 HydrophobicContact CD1-CE2 3.63Å; L220-F355 HydrophobicContact CD1-CZ 4.21Å; N224-F355 HydrophobicContact CB-CE2 4.37Å; N224-F355 WeakPolarHBondContact O-CZ 3.3Å; D226-F355 VanDerWaalsContact C-CZ 3.42Å; L227-F355 HydrophobicContact CB-CD1 3.88Å; L227-F355 HydrophobicContact CB-CD2 4.11Å; L227-F355 HydrophobicContact CB-CE1 3.71Å; L227-F355 HydrophobicContact CB-CE2 3.95Å; L227-F355 HydrophobicContact CB-CG 4.08Å; L227-F355 HydrophobicContact CB-CZ 3.75Å; L227-F355 HydrophobicContact CD2-CB 4.49Å; L227-F355 HydrophobicContact CD2-CD2 4.39Å; L227-F355 HydrophobicContact CD2-CG 4.28Å; Y352-F355 HydrophobicContact CD1-CB 4.39Å; Y352-F355 HydrophobicContact CD1-CD1 4.33Å; Y352-F355 PolarHBondContact O-N 2.97Å; F355-P357 HydrophobicContact CE1-CG 4.1Å; F355-I362 HydrophobicContact CD2-CD1 4.02Å; F355-I362 HydrophobicContact CE2-CD1 4.09Å; F355-L366 HydrophobicContact CB-CD1 3.83Å; F355-L366 HydrophobicContact CD2-CD2 4.42Å; F355-Y508 AromaticContact CD1-CD2 3.72Å; F355-Y508 HydrophobicContact CD1-CD2 3.72Å; F355-Y508 HydrophobicContact CD1-CE2 4.38Å; F355-Y508 HydrophobicContact CD1-CG 4.26Å; F355-Y508 HydrophobicContact CE1-CD2 4.36Å; F355-Y508 HydrophobicContact CE1-CG 4.46Å; F355-Y508 WeakPolarHBondContact O-CE2 3.34Å
356	T	96.9	Very high	96.7	Very high	54 Å²	54	42.9 Å²	42.9	33%	0.331	25%	0.253	S	S	.	.			trans	-127.8	125.9	170	-55.9	0	0	0	0	108.3	G358 E359	T356-G358 PolarHBondContact O-N 3.29Å; T356-E359 VanDerWaalsContact CB-CD 3.49Å; T356-E359 HydrophobicContact CG2-CG 3.94Å; T356-E359 WeakPolarHBondContact CG2-OE1 3.4Å; T356-E359 WeakPolarHBondContact O-CB 3.49Å; T356-E359 PolarHBondContact O-N 3.46Å; T356-E359 VanDerWaalsContact O-N 3.09Å
357	P	97.4	Very high	96.7	Very high	51 Å²	51	42.7 Å²	42.7	33%	0.331	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	128.8	177.7	-31.9	37.4	0	0	0	113.4	N224 K225 F355 E359 Y508	N224-P357 WeakPolarHBondContact O-CA 3.12Å; K225-P357 WeakPolarHBondContact O-CB 3.44Å; F355-P357 HydrophobicContact CE1-CG 4.1Å; P357-E359 VanDerWaalsContact C-N 3.27Å; P357-E359 PolarHBondContact O-N 3.04Å; P357-Y508 VanDerWaalsContact CD-CD1 3.49Å; P357-Y508 VanDerWaalsContact CD-CE1 3.45Å; P357-Y508 HydrophobicContact CG-CD1 3.33Å; P357-Y508 HydrophobicContact CG-CD2 4.4Å; P357-Y508 HydrophobicContact CG-CE1 3.78Å; P357-Y508 HydrophobicContact CG-CG 3.66Å
358	G	96.1	Very high	96.7	Very high	51 Å²	51	42.7 Å²	42.7	53%	0.526	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-9.2	178.9	0	0	0	0	0	115.2	N224 T356	N224-G358 PolarHBondContact O-N 2.99Å; T356-G358 PolarHBondContact O-N 3.29Å
359	E	95	Very high	96.7	Very high	99 Å²	99	42.7 Å²	42.7	46%	0.463	25%	0.252	S	S	.	.			trans	-80.3	134.2	175.6	-69	-169.4	-168.1	0	0	111.6	N224 T356 P357	N224-E359 PolarHBondContact ND2-O 3.46Å; T356-E359 VanDerWaalsContact CB-CD 3.49Å; T356-E359 HydrophobicContact CG2-CG 3.94Å; T356-E359 WeakPolarHBondContact CG2-OE1 3.4Å; T356-E359 WeakPolarHBondContact O-CB 3.49Å; T356-E359 PolarHBondContact O-N 3.46Å; T356-E359 VanDerWaalsContact O-N 3.09Å; P357-E359 VanDerWaalsContact C-N 3.27Å; P357-E359 PolarHBondContact O-N 3.04Å
360	T	90.3	Very high	96.7	Very high	127 Å²	127	42.7 Å²	42.7	78%	0.779	25%	0.252	S	S	*	.	S	Bend	trans	-91.2	-18.3	177.6	56.7	0	0	0	0	113.1	I362	T360-I362 VanDerWaalsContact C-N 3.29Å; T360-I362 PolarHBondContact O-N 3.2Å; T360-I362 VanDerWaalsContact O-N 3.09Å
361	A	91.2	Very high	96.7	Very high	79 Å²	79	42.6 Å²	42.6	65%	0.653	25%	0.252	S	S	*	.			trans	-86.1	66.4	-178.8	0	0	0	0	0	111.2
362	I	92.8	Very high	96.6	Very high	19 Å²	19	42.4 Å²	42.4	10%	0.097	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-80.5	126.6	177	-65.3	171.7	0	0	0	109.2	N224 F355 T360 L366 T384 L388	N224-I362 WeakPolarHBondContact ND2-CD1 3.4Å; F355-I362 HydrophobicContact CD2-CD1 4.02Å; F355-I362 HydrophobicContact CE2-CD1 4.09Å; T360-I362 VanDerWaalsContact C-N 3.29Å; T360-I362 PolarHBondContact O-N 3.2Å; T360-I362 VanDerWaalsContact O-N 3.09Å; I362-L366 HydrophobicContact CG2-CB 4.14Å; I362-L366 HydrophobicContact CG2-CD2 3.49Å; I362-L366 VanDerWaalsContact CG2-CD2 3.49Å; I362-L366 HydrophobicContact CG2-CG 4.4Å; I362-T384 HydrophobicContact CG2-CG2 3.99Å; I362-L388 HydrophobicContact CB-CD1 4.19Å; I362-L388 HydrophobicContact CB-CD2 4.07Å; I362-L388 HydrophobicContact CD1-CD2 3.53Å; I362-L388 HydrophobicContact CG1-CD2 4.35Å; I362-L388 HydrophobicContact CG2-CD1 4.31Å; I362-L388 HydrophobicContact CG2-CD2 4.13Å
363	K	93.1	Very high	96.5	Very high	144 Å²	144	42.2 Å²	42.2	63%	0.626	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-82.8	151	-180	-64.8	177.9	-177.2	172.1	0	111	L354 T384	L354-K363 HydrophobicContact CD2-CD 4.39Å; K363-T384 WeakPolarHBondContact O-CG2 3.48Å
364	D	97.3	Very high	96.4	Very high	99 Å²	99	37.3 Å²	37.3	53%	0.529	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	147.2	164.2	-67.2	-20.3	0	0	0	109.9	Q385	D364-Q385 PolarHBondContact OD1-NE2 3.5Å
365	G	97.8	Very high	95.8	Very high	10 Å²	10	42.9 Å²	42.9	10%	0.103	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.6	-13.8	-174.6	0	0	0	0	0	113.9	L354 L367 D382 T384	L354-G365 VanDerWaalsContact CD1-C 3.42Å; G365-L367 VanDerWaalsContact C-N 3.29Å; G365-L367 PolarHBondContact O-N 2.98Å; G365-D382 VanDerWaalsContact CA-OD2 3.31Å; G365-D382 WeakPolarHBondContact CA-OD2 3.43Å; G365-D382 PolarHBondContact N-OD2 3.19Å; G365-T384 PolarHBondContact N-OG1 2.94Å
366	L	98.5	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-57.9	-40.8	-178.7	173.9	62.1	0	0	0	112.3	L227 V350 D351 L354 F355 I362 T384 L387	L227-L366 HydrophobicContact CD2-CD1 3.85Å; L227-L366 HydrophobicContact CD2-CD2 4.18Å; L227-L366 HydrophobicContact CD2-CG 4.31Å; V350-L366 CarbonylContact C-O 3.34Å; V350-L366 VanDerWaalsContact CA-O 3.29Å; V350-L366 WeakPolarHBondContact CA-O 3.49Å; V350-L366 HydrophobicContact CG1-CD1 4.37Å; D351-L366 PolarHBondContact N-O 3Å; D351-L366 WeakPolarHBondContact O-CD1 3.44Å; L354-L366 HydrophobicContact CB-CB 4.41Å; L354-L366 HydrophobicContact CB-CD1 4.44Å; F355-L366 HydrophobicContact CB-CD1 3.83Å; F355-L366 HydrophobicContact CD2-CD2 4.42Å; I362-L366 HydrophobicContact CG2-CB 4.14Å; I362-L366 HydrophobicContact CG2-CD2 3.49Å; I362-L366 VanDerWaalsContact CG2-CD2 3.49Å; I362-L366 HydrophobicContact CG2-CG 4.4Å; L366-T384 HydrophobicContact CB-CG2 3.83Å; L366-T384 PolarHBondContact N-OG1 3.16Å; L366-T384 VanDerWaalsContact N-OG1 3.11Å; L366-L387 HydrophobicContact CD2-CD2 4.17Å
367	L	98.9	Very high	94.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.7	176.1	176.5	61.2	0	0	0	110.1	I218 M348 I349 V350 G365 V369 K383 T384 L387 W393	I218-L367 HydrophobicContact CD1-CD1 3.61Å; I218-L367 HydrophobicContact CD1-CD2 4.31Å; M348-L367 HydrophobicContact CB-CD1 4.25Å; I349-L367 WeakPolarHBondContact O-CA 3.1Å; V350-L367 HydrophobicContact CG2-CD1 3.99Å; G365-L367 VanDerWaalsContact C-N 3.29Å; G365-L367 PolarHBondContact O-N 2.98Å; L367-V369 HydrophobicContact CD1-CG2 4.11Å; L367-V369 HydrophobicContact CD2-CG2 4.29Å; L367-V369 HydrophobicContact CG-CG2 4.04Å; L367-K383 HydrophobicContact CD2-CB 3.93Å; L367-K383 HydrophobicContact CG-CB 4.02Å; L367-K383 PolarHBondContact O-N 2.72Å; L367-T384 PolarHBondContact N-OG1 2.94Å; L367-T384 VanDerWaalsContact N-OG1 3.15Å; L367-T384 PolarHBondContact O-N 2.66Å; L367-L387 HydrophobicContact CB-CD2 4.22Å; L367-L387 HydrophobicContact CD2-CB 4.14Å; L367-L387 HydrophobicContact CD2-CD2 4.21Å; L367-W393 HydrophobicContact CD2-CB 3.87Å; L367-W393 HydrophobicContact CD2-CD2 4.17Å; L367-W393 HydrophobicContact CD2-CE3 4.27Å; L367-W393 HydrophobicContact CD2-CG 3.99Å
368	V	98.9	Very high	95	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.1	167.6	178	0	0	0	0	108.7	A332 I349	A332-V368 HydrophobicContact CB-CG1 4.21Å; I349-V368 WeakPolarHBondContact CD1-O 3.24Å; I349-V368 PolarHBondContact N-O 2.91Å; I349-V368 PolarHBondContact O-N 3.35Å
369	V	98.9	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.4	177.5	177.7	0	0	0	0	109.7	Q346 W347 M348 L367 Y380 R381 K383 W393 Y401	Q346-V369 HydrophobicContact CG-CG1 3.75Å; W347-V369 CarbonylContact O-C 3.6Å; W347-V369 VanDerWaalsContact O-CA 3.29Å; W347-V369 WeakPolarHBondContact O-CA 3.49Å; M348-V369 HydrophobicContact CG-CG2 4.26Å; L367-V369 HydrophobicContact CD1-CG2 4.11Å; L367-V369 HydrophobicContact CD2-CG2 4.29Å; L367-V369 HydrophobicContact CG-CG2 4.04Å; V369-Y380 WeakPolarHBondContact O-CA 3.48Å; V369-R381 PolarHBondContact N-O 2.83Å; V369-R381 PolarHBondContact O-N 3.3Å; V369-K383 HydrophobicContact CB-CG 3.8Å; V369-K383 HydrophobicContact CG2-CB 3.97Å; V369-K383 HydrophobicContact CG2-CG 3.62Å; V369-W393 HydrophobicContact CB-CH2 4.38Å; V369-W393 HydrophobicContact CB-CZ2 4.16Å; V369-W393 HydrophobicContact CG1-CH2 4.22Å; V369-W393 HydrophobicContact CG1-CZ2 3.69Å; V369-W393 HydrophobicContact CG2-CD2 4.2Å; V369-W393 HydrophobicContact CG2-CE3 4.49Å; V369-W393 HydrophobicContact CG2-CH2 4.03Å; V369-W393 HydrophobicContact CG2-CZ2 3.71Å; V369-W393 HydrophobicContact CG2-CZ3 4.4Å; V369-Y401 HydrophobicContact CG1-CE2 4.42Å; V369-Y401 PolarHBondContact O-OH 2.98Å
370	L	98.8	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.4	179.2	176.5	152.6	0	0	0	110.6	W331 A332 F335 Q346 W347 Q372 V378 V379 Y380	W331-L370 HydrophobicContact CZ3-CD1 4.47Å; A332-L370 HydrophobicContact CB-CD1 3.74Å; F335-L370 HydrophobicContact CD1-CD1 3.96Å; F335-L370 HydrophobicContact CD1-CD2 3.74Å; F335-L370 HydrophobicContact CE1-CD2 3.77Å; Q346-L370 CarbonylContact C-O 3.58Å; Q346-L370 WeakPolarHBondContact CA-O 3.19Å; W347-L370 HydrophobicContact CB-CB 4.18Å; W347-L370 HydrophobicContact CB-CD2 4.28Å; W347-L370 PolarHBondContact N-O 3.26Å; W347-L370 PolarHBondContact O-N 3.3Å; L370-Q372 HydrophobicContact CD2-CB 4.49Å; L370-V378 HydrophobicContact CD1-CG1 3.65Å; L370-V378 HydrophobicContact CD2-CG1 3.93Å; L370-V378 HydrophobicContact CG-CG1 3.67Å; L370-V379 CarbonylContact C-O 3.51Å; L370-V379 WeakPolarHBondContact CA-O 3.39Å; L370-Y380 HydrophobicContact CD1-CD1 4.21Å; L370-Y380 HydrophobicContact CD1-CG 4.49Å
371	E	98.6	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.5	168.9	-68.5	179.2	171.7	0	0	110.4	I295 N345 Q346 V378 V379 Y400 Y401 I404	I295-E371 HydrophobicContact CD1-CB 4.03Å; I295-E371 HydrophobicContact CD1-CG 4.25Å; N345-E371 WeakPolarHBondContact O-CA 3.5Å; Q346-E371 HydrophobicContact CB-CG 3.91Å; Q346-E371 HydrophobicContact CG-CG 3.83Å; Q346-E371 PolarHBondContact NE2-OE1 3.35Å; E371-V378 CarbonylContact O-C 3.5Å; E371-V378 VanDerWaalsContact O-CA 3.32Å; E371-V378 WeakPolarHBondContact O-CA 3.38Å; E371-V379 PolarHBondContact N-O 2.77Å; E371-V379 PolarHBondContact O-N 2.87Å; E371-Y400 WeakPolarHBondContact OE1-CA 3.32Å; E371-Y400 VanDerWaalsContact OE1-CB 3.31Å; E371-Y400 WeakPolarHBondContact OE1-CB 3.48Å; E371-Y400 PolarHBondContact OE1-N 3.49Å; E371-Y400 PolarHBondContact OE2-N 2.7Å; E371-Y401 HydrophobicContact CB-CD2 3.97Å; E371-Y401 HydrophobicContact CB-CE2 4.44Å; E371-Y401 HydrophobicContact CG-CD2 3.79Å; E371-Y401 HydrophobicContact CG-CE2 4.12Å; E371-Y401 WeakPolarHBondContact OE2-CB 3.35Å; E371-Y401 VanDerWaalsContact OE2-CD2 3.25Å; E371-Y401 WeakPolarHBondContact OE2-CD2 3.49Å; E371-Y401 PolarHBondContact OE2-N 3.09Å; E371-I404 HydrophobicContact CB-CD1 4.41Å; E371-I404 HydrophobicContact CB-CG1 3.93Å; E371-I404 HydrophobicContact CB-CG2 4.36Å
372	Q	96.6	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	177.1	71.2	179	-18.4	0	0	111.8	R317 F335 N339 Y343 N344 N345 L370 V378	R317-Q372 VanDerWaalsContact CZ-OE1 3.26Å; F335-Q372 HydrophobicContact CE1-CG 4.48Å; N339-Q372 PolarHBondContact OD1-OE1 3.31Å; Y343-Q372 PolarHBondContact O-NE2 2.92Å; N344-Q372 WeakPolarHBondContact CB-O 3.35Å; N345-Q372 PolarHBondContact O-N 2.93Å; L370-Q372 HydrophobicContact CD2-CB 4.49Å; Q372-V378 HydrophobicContact CB-CG2 4.11Å
373	I	96.8	Very high	96.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.19	C	C	.	.			trans	-138.7	169.8	165.8	61.7	170.1	0	0	0	110.3	I295 L302 N339 N344 L377 I404 A407	I295-I373 HydrophobicContact CD1-CG2 4.28Å; L302-I373 HydrophobicContact CD1-CD1 3.83Å; N339-I373 PolarHBondContact ND2-O 3.13Å; N344-I373 VanDerWaalsContact OD1-CA 3.24Å; N344-I373 WeakPolarHBondContact OD1-CA 3.42Å; I373-L377 HydrophobicContact CD1-CD2 3.89Å; I373-L377 HydrophobicContact CG1-CB 3.94Å; I373-L377 HydrophobicContact CG1-CD2 4.13Å; I373-L377 HydrophobicContact CG1-CG 4.33Å; I373-L377 PolarHBondContact N-O 3.07Å; I373-I404 HydrophobicContact CD1-CD1 4.42Å; I373-I404 HydrophobicContact CD1-CG2 4.44Å; I373-I404 HydrophobicContact CG1-CD1 4.11Å; I373-I404 HydrophobicContact CG2-CG2 3.62Å; I373-A407 HydrophobicContact CD1-CB 3.52Å
374	P	95.4	Very high	96.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	161.6	174.9	-8.7	19.6	0	0	0	112	N297 L302 W303 V306 G341	N297-P374 HydrophobicContact CB-CG 4.16Å; L302-P374 HydrophobicContact CB-CB 3.96Å; L302-P374 HydrophobicContact CB-CG 4.16Å; L302-P374 WeakPolarHBondContact O-CB 3.43Å; W303-P374 HydrophobicContact CE3-CG 3.73Å; W303-P374 HydrophobicContact CZ3-CG 3.51Å; V306-P374 HydrophobicContact CG2-CB 3.92Å; V306-P374 HydrophobicContact CG2-CG 4.26Å; G341-P374 WeakPolarHBondContact O-CG 3.23Å
375	W	84.9	Confident	96.6	Very high	164 Å²	164	32.8 Å²	32.8	62%	0.621	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	88	5	-166.9	-165.7	30.9	0	0	0	114.7	L302 F305 L377	L302-W375 HydrophobicContact CD2-CB 4.32Å; F305-W375 HydrophobicContact CB-CB 4.25Å; F305-W375 HydrophobicContact CD1-CB 4.47Å; F305-W375 AromaticContact CD1-CD1 3.47Å; F305-W375 VanDerWaalsContact CD1-CD1 3.47Å; F305-W375 HydrophobicContact CD1-CG 4.25Å; F305-W375 HydrophobicContact CD2-CB 3.4Å; F305-W375 VanDerWaalsContact CD2-CB 3.4Å; F305-W375 AromaticContact CD2-CD1 3.71Å; F305-W375 AromaticContact CD2-CG 3.69Å; F305-W375 HydrophobicContact CD2-CG 3.69Å; F305-W375 AromaticContact CE1-CD1 3.22Å; F305-W375 HydrophobicContact CE1-CG 4.11Å; F305-W375 AromaticContact CE1-NE1 3.68Å; F305-W375 HydrophobicContact CE2-CB 3.73Å; F305-W375 AromaticContact CE2-CD1 3.48Å; F305-W375 VanDerWaalsContact CE2-CD1 3.48Å; F305-W375 HydrophobicContact CE2-CD2 4.3Å; F305-W375 AromaticContact CE2-CG 3.53Å; F305-W375 HydrophobicContact CE2-CG 3.53Å; F305-W375 HydrophobicContact CG-CB 3.81Å; F305-W375 AromaticContact CG-CD1 3.7Å; F305-W375 HydrophobicContact CG-CG 4.04Å; F305-W375 HydrophobicContact CZ-CB 4.38Å; F305-W375 AromaticContact CZ-CD1 3.2Å; F305-W375 HydrophobicContact CZ-CD2 4.39Å; F305-W375 AromaticContact CZ-CG 3.74Å; F305-W375 HydrophobicContact CZ-CG 3.74Å; F305-W375 AromaticContact CZ-NE1 3.55Å; W375-L377 PolarHBondContact O-N 3.25Å
376	G	81.7	Confident	96.6	Very high	50 Å²	50	33.7 Å²	33.7	52%	0.515	16%	0.162	S	C	.	.	S	Bend	trans	76.2	10.4	-177.8	0	0	0	0	0	113	N339 V378	N339-G376 WeakPolarHBondContact ND2-CA 3.3Å; G376-V378 PolarHBondContact O-N 3.28Å
377	L	94.9	Very high	96.6	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.246	16%	0.162	C	C	.	.			trans	-75	109	176.3	-177.3	62.3	0	0	0	109.1	I373 W375 V379 I404 A407	I373-L377 HydrophobicContact CD1-CD2 3.89Å; I373-L377 HydrophobicContact CG1-CB 3.94Å; I373-L377 HydrophobicContact CG1-CD2 4.13Å; I373-L377 HydrophobicContact CG1-CG 4.33Å; I373-L377 PolarHBondContact N-O 3.07Å; W375-L377 PolarHBondContact O-N 3.25Å; L377-V379 HydrophobicContact CD1-CG2 4.2Å; L377-I404 HydrophobicContact CD2-CD1 3.79Å; L377-I404 HydrophobicContact CG-CD1 3.73Å; L377-A407 HydrophobicContact CD2-CB 4.1Å
378	V	97.8	Very high	96.5	Very high	28 Å²	28	36.3 Å²	36.3	17%	0.17	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.3	172.8	-173	0	0	0	0	107.8	S336 N339 L370 E371 Q372 G376	S336-V378 WeakPolarHBondContact OG-CG1 3.2Å; N339-V378 HydrophobicContact CB-CG2 4.08Å; N339-V378 VanDerWaalsContact ND2-CG2 3.35Å; N339-V378 WeakPolarHBondContact ND2-CG2 3.19Å; L370-V378 HydrophobicContact CD1-CG1 3.65Å; L370-V378 HydrophobicContact CD2-CG1 3.93Å; L370-V378 HydrophobicContact CG-CG1 3.67Å; E371-V378 CarbonylContact O-C 3.5Å; E371-V378 VanDerWaalsContact O-CA 3.32Å; E371-V378 WeakPolarHBondContact O-CA 3.38Å; Q372-V378 HydrophobicContact CB-CG2 4.11Å; G376-V378 PolarHBondContact O-N 3.28Å
379	V	98.4	Very high	96.4	Very high	14 Å²	14	45.3 Å²	45.3	9%	0.085	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.9	177.2	179	0	0	0	0	107.9	L370 E371 L377 Y401 I404	L370-V379 CarbonylContact C-O 3.51Å; L370-V379 WeakPolarHBondContact CA-O 3.39Å; E371-V379 PolarHBondContact N-O 2.77Å; E371-V379 PolarHBondContact O-N 2.87Å; L377-V379 HydrophobicContact CD1-CG2 4.2Å; V379-Y401 HydrophobicContact CB-CD2 3.94Å; V379-Y401 HydrophobicContact CB-CE2 4.35Å; V379-Y401 HydrophobicContact CB-CG 4.34Å; V379-Y401 HydrophobicContact CG1-CD1 4.06Å; V379-Y401 HydrophobicContact CG1-CD2 3.69Å; V379-Y401 HydrophobicContact CG1-CE1 4.28Å; V379-Y401 HydrophobicContact CG1-CE2 3.94Å; V379-Y401 HydrophobicContact CG1-CG 3.78Å; V379-Y401 WeakPolarHBondContact O-CE2 3.49Å; V379-I404 HydrophobicContact CB-CD1 4.37Å; V379-I404 HydrophobicContact CB-CG1 4.28Å; V379-I404 HydrophobicContact CG2-CD1 3.94Å; V379-I404 HydrophobicContact CG2-CG1 4.12Å
380	Y	98.4	Very high	96.3	Very high	77 Å²	77	51.6 Å²	51.6	30%	0.302	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.5	172.4	63.2	-94	0	0	0	111.1	A332 E333 V369 L370	A332-Y380 HydrophobicContact CB-CD1 3.95Å; A332-Y380 HydrophobicContact CB-CD2 3.7Å; A332-Y380 HydrophobicContact CB-CE1 4.44Å; A332-Y380 HydrophobicContact CB-CE2 4.24Å; A332-Y380 HydrophobicContact CB-CG 3.56Å; E333-Y380 WeakPolarHBondContact CG-OH 3.4Å; V369-Y380 WeakPolarHBondContact O-CA 3.48Å; L370-Y380 HydrophobicContact CD1-CD1 4.21Å; L370-Y380 HydrophobicContact CD1-CG 4.49Å
381	R	98.6	Very high	96.3	Very high	116 Å²	116	52.3 Å²	52.3	44%	0.438	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.8	179	-54.3	-174.8	-172.1	172.1	5.1	110.1	V369 Y401 E403	V369-R381 PolarHBondContact N-O 2.83Å; V369-R381 PolarHBondContact O-N 3.3Å; R381-Y401 HydrophobicContact CB-CE1 4.3Å; R381-Y401 WeakPolarHBondContact CB-OH 3.46Å; R381-Y401 HydrophobicContact CG-CE1 4Å; R381-Y401 PolarHBondContact N-OH 2.78Å; R381-E403 IonicContact NH2-OE1 3.27Å; R381-E403 PolarHBondContact NH2-OE1 3.29Å; R381-E403 IonicContact NH2-OE2 3.17Å
382	D	98.7	Very high	96.3	Very high	47 Å²	47	53.8 Å²	53.8	25%	0.251	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.7	166.3	-163.1	-40.6	0	0	0	111	H329 G365 T384	H329-D382 IonicContact CE1-OD2 2.63Å; G365-D382 VanDerWaalsContact CA-OD2 3.31Å; G365-D382 WeakPolarHBondContact CA-OD2 3.43Å; G365-D382 PolarHBondContact N-OD2 3.19Å; D382-T384 WeakPolarHBondContact OD1-CB 3.4Å; D382-T384 PolarHBondContact OD1-N 3.05Å; D382-T384 PolarHBondContact OD1-OG1 3.36Å
383	K	98.7	Very high	96.4	Very high	22 Å²	22	54.2 Å²	54.2	10%	0.096	25%	0.253	C	S	.	.			trans	-117.9	13.6	-179.8	-63.7	-55.3	-165.8	165.1	0	113.1	L367 V369 Q385 E386 L387 W393 Y400 Y401	L367-K383 HydrophobicContact CD2-CB 3.93Å; L367-K383 HydrophobicContact CG-CB 4.02Å; L367-K383 PolarHBondContact O-N 2.72Å; V369-K383 HydrophobicContact CB-CG 3.8Å; V369-K383 HydrophobicContact CG2-CB 3.97Å; V369-K383 HydrophobicContact CG2-CG 3.62Å; K383-Q385 PolarHBondContact O-N 2.5Å; K383-E386 IonicContact NZ-OE2 3.83Å; K383-E386 PolarHBondContact NZ-OE2 2.85Å; K383-E386 PolarHBondContact O-N 2.98Å; K383-L387 PolarHBondContact O-N 3.31Å; K383-W393 HydrophobicContact CB-CE3 4.13Å; K383-W393 HydrophobicContact CB-CZ3 3.91Å; K383-W393 HydrophobicContact CD-CH2 4.23Å; K383-W393 HydrophobicContact CD-CZ3 3.86Å; K383-W393 HydrophobicContact CG-CE3 4.36Å; K383-W393 HydrophobicContact CG-CH2 3.96Å; K383-W393 HydrophobicContact CG-CZ3 3.68Å; K383-Y400 PolarHBondContact NZ-OH 3.42Å; K383-Y401 WeakPolarHBondContact CE-OH 3.38Å
384	T	98.6	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-52.2	177.6	-55.2	0	0	0	0	111.5	I362 K363 G365 L366 L367 D382 E386 L387 L388	I362-T384 HydrophobicContact CG2-CG2 3.99Å; K363-T384 WeakPolarHBondContact O-CG2 3.48Å; G365-T384 PolarHBondContact N-OG1 2.94Å; L366-T384 HydrophobicContact CB-CG2 3.83Å; L366-T384 PolarHBondContact N-OG1 3.16Å; L366-T384 VanDerWaalsContact N-OG1 3.11Å; L367-T384 PolarHBondContact N-OG1 2.94Å; L367-T384 VanDerWaalsContact N-OG1 3.15Å; L367-T384 PolarHBondContact O-N 2.66Å; D382-T384 WeakPolarHBondContact OD1-CB 3.4Å; D382-T384 PolarHBondContact OD1-N 3.05Å; D382-T384 PolarHBondContact OD1-OG1 3.36Å; T384-E386 PolarHBondContact O-N 3.39Å; T384-L387 WeakPolarHBondContact O-CB 3.37Å; T384-L387 PolarHBondContact O-N 2.69Å; T384-L387 VanDerWaalsContact O-N 3.12Å; T384-L388 HydrophobicContact CG2-CD1 4.09Å; T384-L388 HydrophobicContact CG2-CG 4.28Å; T384-L388 WeakPolarHBondContact O-CG 3.2Å; T384-L388 PolarHBondContact O-N 2.93Å
385	Q	98.1	Very high	96.6	Very high	111 Å²	111	55 Å²	55	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-32.7	-179.3	-63.8	-56.5	-39	0	0	113	D364 K383 K389	D364-Q385 PolarHBondContact OD1-NE2 3.5Å; K383-Q385 PolarHBondContact O-N 2.5Å; Q385-K389 VanDerWaalsContact O-CB 3.23Å; Q385-K389 WeakPolarHBondContact O-CB 3.45Å; Q385-K389 PolarHBondContact O-N 2.83Å
386	E	98.1	Very high	97.1	Very high	30 Å²	30	48.9 Å²	48.9	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-71.8	-42.8	175.8	-175	163.5	-166.8	0	0	111.7	K383 T384 K389 R390 W393 Y400	K383-E386 IonicContact NZ-OE2 3.83Å; K383-E386 PolarHBondContact NZ-OE2 2.85Å; K383-E386 PolarHBondContact O-N 2.98Å; T384-E386 PolarHBondContact O-N 3.39Å; E386-K389 PolarHBondContact O-N 3.13Å; E386-R390 HydrophobicContact CG-CG 4.44Å; E386-R390 WeakPolarHBondContact O-CB 3.37Å; E386-R390 WeakPolarHBondContact O-CG 3.28Å; E386-R390 PolarHBondContact O-N 3.34Å; E386-R390 IonicContact OE1-CZ 2.88Å; E386-R390 IonicContact OE1-NE 3.86Å; E386-R390 PolarHBondContact OE1-NE 3.22Å; E386-R390 IonicContact OE1-NH1 3.23Å; E386-R390 IonicContact OE1-NH2 3.04Å; E386-R390 PolarHBondContact OE1-NH2 2.98Å; E386-W393 HydrophobicContact CG-CZ3 4.47Å; E386-Y400 PolarHBondContact OE1-OH 3.34Å; E386-Y400 PolarHBondContact OE2-OH 2.82Å
387	L	98.4	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-47.2	173	174.6	62.9	0	0	0	111.2	I218 L227 L366 L367 K383 T384 G391 W393	I218-L387 HydrophobicContact CG2-CD1 4.1Å; I218-L387 HydrophobicContact CG2-CD2 4.19Å; L227-L387 HydrophobicContact CD1-CD2 4.18Å; L366-L387 HydrophobicContact CD2-CD2 4.17Å; L367-L387 HydrophobicContact CB-CD2 4.22Å; L367-L387 HydrophobicContact CD2-CB 4.14Å; L367-L387 HydrophobicContact CD2-CD2 4.21Å; K383-L387 PolarHBondContact O-N 3.31Å; T384-L387 WeakPolarHBondContact O-CB 3.37Å; T384-L387 PolarHBondContact O-N 2.69Å; T384-L387 VanDerWaalsContact O-N 3.12Å; L387-G391 WeakPolarHBondContact O-CA 3.31Å; L387-G391 PolarHBondContact O-N 2.86Å; L387-W393 HydrophobicContact CD1-CB 4.47Å
388	L	97.1	Very high	97.6	Very high	54 Å²	54	45.7 Å²	45.7	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-44.2	178.3	-65.3	-179.9	0	0	0	111.7	L220 I362 T384	L220-L388 HydrophobicContact CD2-CD2 3.75Å; I362-L388 HydrophobicContact CB-CD1 4.19Å; I362-L388 HydrophobicContact CB-CD2 4.07Å; I362-L388 HydrophobicContact CD1-CD2 3.53Å; I362-L388 HydrophobicContact CG1-CD2 4.35Å; I362-L388 HydrophobicContact CG2-CD1 4.31Å; I362-L388 HydrophobicContact CG2-CD2 4.13Å; T384-L388 HydrophobicContact CG2-CD1 4.09Å; T384-L388 HydrophobicContact CG2-CG 4.28Å; T384-L388 WeakPolarHBondContact O-CG 3.2Å; T384-L388 PolarHBondContact O-N 2.93Å
389	K	96.6	Very high	97.6	Very high	190 Å²	190	44.4 Å²	44.4	83%	0.826	20%	0.2	S	C	*	.	H	α-helix	trans	-68.1	-40.4	-178.8	-178.2	176.7	178.1	178.5	0	112.9	Q385 E386	Q385-K389 VanDerWaalsContact O-CB 3.23Å; Q385-K389 WeakPolarHBondContact O-CB 3.45Å; Q385-K389 PolarHBondContact O-N 2.83Å; E386-K389 PolarHBondContact O-N 3.13Å
390	R	97.1	Very high	97.5	Very high	132 Å²	132	47.3 Å²	47.3	50%	0.498	21%	0.21	S	C	.	.	H	α-helix	trans	-89.2	-23.5	-177.2	-64.6	-175	-175.6	-152.8	8.6	112.9	E386 Y392	E386-R390 HydrophobicContact CG-CG 4.44Å; E386-R390 WeakPolarHBondContact O-CB 3.37Å; E386-R390 WeakPolarHBondContact O-CG 3.28Å; E386-R390 PolarHBondContact O-N 3.34Å; E386-R390 IonicContact OE1-CZ 2.88Å; E386-R390 IonicContact OE1-NE 3.86Å; E386-R390 PolarHBondContact OE1-NE 3.22Å; E386-R390 IonicContact OE1-NH1 3.23Å; E386-R390 IonicContact OE1-NH2 3.04Å; E386-R390 PolarHBondContact OE1-NH2 2.98Å; R390-Y392 HydrophobicContact CB-CD1 4.11Å; R390-Y392 HydrophobicContact CB-CE1 4.24Å; R390-Y392 PolarHBondContact O-N 2.94Å
391	G	97.9	Very high	97.5	Very high	15 Å²	15	44 Å²	44	16%	0.155	20%	0.197	C	C	.	.	S	Bend	trans	73.4	7.6	-170.5	0	0	0	0	0	114.1	K219 L220 L387	K219-G391 WeakPolarHBondContact CD-O 3.2Å; K219-G391 PolarHBondContact NZ-O 3.29Å; L220-G391 PolarHBondContact N-O 3.23Å; L220-G391 VanDerWaalsContact N-O 3.12Å; L387-G391 WeakPolarHBondContact O-CA 3.31Å; L387-G391 PolarHBondContact O-N 2.86Å
392	Y	98.7	Very high	97.4	Very high	31 Å²	31	42.4 Å²	42.4	12%	0.122	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	161	175.3	80	-73	0	0	0	112.6	L217 I218 R390 A394 Q436	L217-Y392 HydrophobicContact CD1-CD2 3.64Å; L217-Y392 HydrophobicContact CD1-CG 4.3Å; I218-Y392 CarbonylContact O-C 3.56Å; I218-Y392 WeakPolarHBondContact O-CA 3.47Å; I218-Y392 WeakPolarHBondContact O-CB 2.89Å; R390-Y392 HydrophobicContact CB-CD1 4.11Å; R390-Y392 HydrophobicContact CB-CE1 4.24Å; R390-Y392 PolarHBondContact O-N 2.94Å; Y392-A394 HydrophobicContact CD2-CB 4.02Å; Y392-A394 HydrophobicContact CE2-CB 3.81Å; Y392-Q436 HydrophobicContact CD1-CB 4.39Å; Y392-Q436 HydrophobicContact CD1-CG 3.58Å; Y392-Q436 HydrophobicContact CD2-CB 4.21Å; Y392-Q436 HydrophobicContact CD2-CG 4.13Å; Y392-Q436 HydrophobicContact CE1-CG 3.62Å; Y392-Q436 HydrophobicContact CE2-CB 4.48Å; Y392-Q436 HydrophobicContact CE2-CG 4.15Å; Y392-Q436 HydrophobicContact CG-CB 4.15Å; Y392-Q436 HydrophobicContact CG-CG 3.85Å
393	W	98.8	Very high	97.3	Very high	9 Å²	9	45 Å²	45	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.1	163.3	178.8	-83.9	0	0	0	109.1	L217 I218 L367 V369 K383 E386 L387 Y400	L217-W393 WeakPolarHBondContact CA-O 3.16Å; L217-W393 WeakPolarHBondContact CD1-O 3.47Å; I218-W393 HydrophobicContact CB-CB 4.2Å; I218-W393 PolarHBondContact N-O 2.94Å; I218-W393 PolarHBondContact O-N 3.44Å; L367-W393 HydrophobicContact CD2-CB 3.87Å; L367-W393 HydrophobicContact CD2-CD2 4.17Å; L367-W393 HydrophobicContact CD2-CE3 4.27Å; L367-W393 HydrophobicContact CD2-CG 3.99Å; V369-W393 HydrophobicContact CB-CH2 4.38Å; V369-W393 HydrophobicContact CB-CZ2 4.16Å; V369-W393 HydrophobicContact CG1-CH2 4.22Å; V369-W393 HydrophobicContact CG1-CZ2 3.69Å; V369-W393 HydrophobicContact CG2-CD2 4.2Å; V369-W393 HydrophobicContact CG2-CE3 4.49Å; V369-W393 HydrophobicContact CG2-CH2 4.03Å; V369-W393 HydrophobicContact CG2-CZ2 3.71Å; V369-W393 HydrophobicContact CG2-CZ3 4.4Å; K383-W393 HydrophobicContact CB-CE3 4.13Å; K383-W393 HydrophobicContact CB-CZ3 3.91Å; K383-W393 HydrophobicContact CD-CH2 4.23Å; K383-W393 HydrophobicContact CD-CZ3 3.86Å; K383-W393 HydrophobicContact CG-CE3 4.36Å; K383-W393 HydrophobicContact CG-CH2 3.96Å; K383-W393 HydrophobicContact CG-CZ3 3.68Å; E386-W393 HydrophobicContact CG-CZ3 4.47Å; L387-W393 HydrophobicContact CD1-CB 4.47Å; W393-Y400 AromaticContact CH2-CD1 3.91Å; W393-Y400 HydrophobicContact CH2-CD1 3.91Å; W393-Y400 AromaticContact CH2-CD2 3.49Å; W393-Y400 HydrophobicContact CH2-CD2 3.49Å; W393-Y400 VanDerWaalsContact CH2-CD2 3.49Å; W393-Y400 HydrophobicContact CH2-CE1 4.12Å; W393-Y400 AromaticContact CH2-CE2 3.63Å; W393-Y400 HydrophobicContact CH2-CE2 3.63Å; W393-Y400 AromaticContact CH2-CG 3.64Å; W393-Y400 HydrophobicContact CH2-CG 3.64Å; W393-Y400 AromaticContact CH2-CZ 3.98Å; W393-Y400 AromaticContact CZ2-CD2 3.99Å; W393-Y400 HydrophobicContact CZ2-CD2 3.99Å; W393-Y400 HydrophobicContact CZ2-CG 4.06Å; W393-Y400 HydrophobicContact CZ3-CD2 4.22Å; W393-Y400 AromaticContact CZ3-CE2 3.93Å; W393-Y400 HydrophobicContact CZ3-CE2 3.93Å
394	A	98.4	Very high	97.3	Very high	16 Å²	16	44 Å²	44	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.2	178.4	0	0	0	0	0	110.9	A216 L217 Y392 Y396 F432	A216-A394 WeakPolarHBondContact O-CA 3.41Å; L217-A394 HydrophobicContact CD1-CB 4.14Å; Y392-A394 HydrophobicContact CD2-CB 4.02Å; Y392-A394 HydrophobicContact CE2-CB 3.81Å; A394-Y396 HydrophobicContact CB-CD1 4.29Å; A394-Y396 HydrophobicContact CB-CE1 4.17Å; A394-F432 HydrophobicContact CB-CB 3.98Å; A394-F432 HydrophobicContact CB-CD1 4.25Å; A394-F432 HydrophobicContact CB-CD2 3.76Å; A394-F432 HydrophobicContact CB-CE2 4.25Å; A394-F432 HydrophobicContact CB-CG 3.75Å
395	S	98.4	Very high	97.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.6	179.4	-162.7	0	0	0	0	110.6	S215 A216 T293 Q346	S215-S395 WeakPolarHBondContact CA-O 3.32Å; A216-S395 PolarHBondContact N-O 3.07Å; A216-S395 PolarHBondContact O-N 3.11Å; T293-S395 PolarHBondContact OG1-OG 2.89Å; Q346-S395 PolarHBondContact OE1-OG 3.43Å
396	Y	94.9	Very high	97.2	Very high	36 Å²	36	42.9 Å²	42.9	14%	0.141	20%	0.203	C	C	.	.			trans	-161.6	40.9	-166.7	43.5	-103.8	0	0	0	113.4	A394 I398 L423 N426 R428 A429 F432	A394-Y396 HydrophobicContact CB-CD1 4.29Å; A394-Y396 HydrophobicContact CB-CE1 4.17Å; Y396-I398 VanDerWaalsContact C-N 3.3Å; Y396-I398 HydrophobicContact CD2-CB 4.22Å; Y396-I398 HydrophobicContact CD2-CG1 4.21Å; Y396-I398 HydrophobicContact CE2-CB 4.14Å; Y396-I398 HydrophobicContact CE2-CG1 4.42Å; Y396-I398 PolarHBondContact O-N 3.17Å; Y396-L423 WeakPolarHBondContact CE2-O 3.24Å; Y396-L423 PolarHBondContact OH-O 2.64Å; Y396-N426 WeakPolarHBondContact CD2-ND2 3.39Å; Y396-N426 WeakPolarHBondContact CE2-ND2 3.22Å; Y396-R428 HydrophobicContact CG-CB 4.13Å; Y396-R428 PolarHBondContact O-NH2 2.71Å; Y396-A429 HydrophobicContact CD1-CB 4.44Å; Y396-A429 HydrophobicContact CD2-CB 4.38Å; Y396-A429 HydrophobicContact CE1-CB 3.78Å; Y396-A429 HydrophobicContact CE2-CB 3.74Å; Y396-A429 WeakPolarHBondContact OH-CB 3.21Å; Y396-F432 AromaticContact CD1-CD2 3.86Å; Y396-F432 HydrophobicContact CD1-CD2 3.86Å; Y396-F432 HydrophobicContact CD1-CE2 4.16Å
397	N	92.7	Very high	97.1	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.07	21%	0.207	C	C	.	.	S	Bend	trans	68.8	11.3	174.7	-48.5	123.7	0	0	0	118	G212 S213 C214 T293 T294 R428	G212-N397 WeakPolarHBondContact CA-OD1 3.15Å; S213-N397 VanDerWaalsContact N-CG 3.25Å; S213-N397 PolarHBondContact N-ND2 3.49Å; S213-N397 VanDerWaalsContact N-ND2 3.11Å; S213-N397 PolarHBondContact N-OD1 3Å; S213-N397 PolarHBondContact O-ND2 3.04Å; C214-N397 PolarHBondContact O-ND2 2.86Å; C214-N397 PolarHBondContact O-OD1 3.15Å; C214-N397 VanDerWaalsContact O-OD1 3.05Å; T293-N397 PolarHBondContact OG1-N 3.46Å; T294-N397 PolarHBondContact N-ND2 2.83Å; T294-N397 WeakPolarHBondContact O-CA 3.49Å; T294-N397 VanDerWaalsContact O-CB 3.27Å; T294-N397 WeakPolarHBondContact O-CB 3.32Å; T294-N397 PolarHBondContact O-ND2 2.96Å; N397-R428 PolarHBondContact OD1-NH1 3.1Å; N397-R428 PolarHBondContact OD1-NH2 3.05Å
398	I	96.1	Very high	97	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	21%	0.207	C	C	.	.	S	Bend	trans	-113.2	127.8	172	-58.2	-62.8	0	0	0	107.6	Y396 Y400 F405 L423	Y396-I398 VanDerWaalsContact C-N 3.3Å; Y396-I398 HydrophobicContact CD2-CB 4.22Å; Y396-I398 HydrophobicContact CD2-CG1 4.21Å; Y396-I398 HydrophobicContact CE2-CB 4.14Å; Y396-I398 HydrophobicContact CE2-CG1 4.42Å; Y396-I398 PolarHBondContact O-N 3.17Å; I398-Y400 PolarHBondContact O-N 2.83Å; I398-F405 HydrophobicContact CG2-CD2 3.86Å; I398-F405 HydrophobicContact CG2-CE2 3.66Å; I398-L423 HydrophobicContact CG2-CD2 4.26Å
399	P	96.2	Very high	96.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.199	C	C	.	.			trans	-56.1	133	174.5	-15.2	21.9	0	0	0	110.7	I295 I404 F405 L423	I295-P399 HydrophobicContact CB-CG 3.94Å; I295-P399 HydrophobicContact CD1-CB 4.19Å; I295-P399 HydrophobicContact CD1-CG 4.08Å; I295-P399 HydrophobicContact CG2-CG 4.26Å; P399-I404 HydrophobicContact CB-CB 4.05Å; P399-I404 HydrophobicContact CB-CG2 3.62Å; P399-I404 HydrophobicContact CG-CG2 3.98Å; P399-F405 HydrophobicContact CB-CB 4.3Å; P399-L423 WeakPolarHBondContact O-CD2 3.49Å
400	Y	97.4	Very high	96.8	Very high	76 Å²	76	31.7 Å²	31.7	30%	0.298	16%	0.16	S	C	.	.	S	Bend	trans	-78.3	-41.5	174.5	173.9	-80.7	0	0	0	111.4	Q346 E371 K383 E386 W393 I398 V402	Q346-Y400 VanDerWaalsContact NE2-CB 3.27Å; E371-Y400 WeakPolarHBondContact OE1-CA 3.32Å; E371-Y400 VanDerWaalsContact OE1-CB 3.31Å; E371-Y400 WeakPolarHBondContact OE1-CB 3.48Å; E371-Y400 PolarHBondContact OE1-N 3.49Å; E371-Y400 PolarHBondContact OE2-N 2.7Å; K383-Y400 PolarHBondContact NZ-OH 3.42Å; E386-Y400 PolarHBondContact OE1-OH 3.34Å; E386-Y400 PolarHBondContact OE2-OH 2.82Å; W393-Y400 AromaticContact CH2-CD1 3.91Å; W393-Y400 HydrophobicContact CH2-CD1 3.91Å; W393-Y400 AromaticContact CH2-CD2 3.49Å; W393-Y400 HydrophobicContact CH2-CD2 3.49Å; W393-Y400 VanDerWaalsContact CH2-CD2 3.49Å; W393-Y400 HydrophobicContact CH2-CE1 4.12Å; W393-Y400 AromaticContact CH2-CE2 3.63Å; W393-Y400 HydrophobicContact CH2-CE2 3.63Å; W393-Y400 AromaticContact CH2-CG 3.64Å; W393-Y400 HydrophobicContact CH2-CG 3.64Å; W393-Y400 AromaticContact CH2-CZ 3.98Å; W393-Y400 AromaticContact CZ2-CD2 3.99Å; W393-Y400 HydrophobicContact CZ2-CD2 3.99Å; W393-Y400 HydrophobicContact CZ2-CG 4.06Å; W393-Y400 HydrophobicContact CZ3-CD2 4.22Å; W393-Y400 AromaticContact CZ3-CE2 3.93Å; W393-Y400 HydrophobicContact CZ3-CE2 3.93Å; I398-Y400 PolarHBondContact O-N 2.83Å; Y400-V402 PolarHBondContact O-N 3.4Å
401	Y	98.1	Very high	96.8	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.024	16%	0.156	C	C	.	.	S	Bend	trans	-74.3	121.3	-177.6	-63.7	-62.8	0	0	0	109.9	V369 E371 V379 R381 K383 E403 I404 F405	V369-Y401 HydrophobicContact CG1-CE2 4.42Å; V369-Y401 PolarHBondContact O-OH 2.98Å; E371-Y401 HydrophobicContact CB-CD2 3.97Å; E371-Y401 HydrophobicContact CB-CE2 4.44Å; E371-Y401 HydrophobicContact CG-CD2 3.79Å; E371-Y401 HydrophobicContact CG-CE2 4.12Å; E371-Y401 WeakPolarHBondContact OE2-CB 3.35Å; E371-Y401 VanDerWaalsContact OE2-CD2 3.25Å; E371-Y401 WeakPolarHBondContact OE2-CD2 3.49Å; E371-Y401 PolarHBondContact OE2-N 3.09Å; V379-Y401 HydrophobicContact CB-CD2 3.94Å; V379-Y401 HydrophobicContact CB-CE2 4.35Å; V379-Y401 HydrophobicContact CB-CG 4.34Å; V379-Y401 HydrophobicContact CG1-CD1 4.06Å; V379-Y401 HydrophobicContact CG1-CD2 3.69Å; V379-Y401 HydrophobicContact CG1-CE1 4.28Å; V379-Y401 HydrophobicContact CG1-CE2 3.94Å; V379-Y401 HydrophobicContact CG1-CG 3.78Å; V379-Y401 WeakPolarHBondContact O-CE2 3.49Å; R381-Y401 HydrophobicContact CB-CE1 4.3Å; R381-Y401 WeakPolarHBondContact CB-OH 3.46Å; R381-Y401 HydrophobicContact CG-CE1 4Å; R381-Y401 PolarHBondContact N-OH 2.78Å; K383-Y401 WeakPolarHBondContact CE-OH 3.38Å; Y401-E403 PolarHBondContact O-N 3.38Å; Y401-E403 VanDerWaalsContact O-N 3.11Å; Y401-I404 WeakPolarHBondContact O-CA 3.44Å; Y401-I404 WeakPolarHBondContact O-CB 3.12Å; Y401-I404 PolarHBondContact O-N 3.08Å; Y401-F405 PolarHBondContact O-N 3.41Å
402	V	97.2	Very high	96.7	Very high	83 Å²	83	35.7 Å²	35.7	50%	0.503	18%	0.18	S	C	.	.	H	α-helix	trans	-54.8	-34.7	-179.3	175.6	0	0	0	0	112	Y400 F405 N406 L423	Y400-V402 PolarHBondContact O-N 3.4Å; V402-F405 PolarHBondContact O-N 3.32Å; V402-N406 VanDerWaalsContact O-CB 3.26Å; V402-N406 WeakPolarHBondContact O-CB 3.23Å; V402-N406 PolarHBondContact O-N 3.18Å; V402-N406 PolarHBondContact O-ND2 2.83Å; V402-L423 HydrophobicContact CG2-CD1 4.18Å
403	E	96.8	Very high	96.6	Very high	102 Å²	102	35.1 Å²	35.1	48%	0.477	18%	0.18	S	C	.	.	H	α-helix	trans	-59.1	-48.4	174.8	-66.3	158.6	-156.1	0	0	111.5	R381 Y401 A407	R381-E403 IonicContact NH2-OE1 3.27Å; R381-E403 PolarHBondContact NH2-OE1 3.29Å; R381-E403 IonicContact NH2-OE2 3.17Å; Y401-E403 PolarHBondContact O-N 3.38Å; Y401-E403 VanDerWaalsContact O-N 3.11Å; E403-A407 WeakPolarHBondContact O-CB 3.44Å; E403-A407 PolarHBondContact O-N 3.19Å; E403-A407 VanDerWaalsContact O-N 3.09Å
404	I	97.8	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-47.3	177.8	-60.2	-70.2	0	0	0	110.4	I295 E371 I373 L377 V379 P399 Y401 N406 A407 S408	I295-I404 HydrophobicContact CD1-CG2 3.88Å; E371-I404 HydrophobicContact CB-CD1 4.41Å; E371-I404 HydrophobicContact CB-CG1 3.93Å; E371-I404 HydrophobicContact CB-CG2 4.36Å; I373-I404 HydrophobicContact CD1-CD1 4.42Å; I373-I404 HydrophobicContact CD1-CG2 4.44Å; I373-I404 HydrophobicContact CG1-CD1 4.11Å; I373-I404 HydrophobicContact CG2-CG2 3.62Å; L377-I404 HydrophobicContact CD2-CD1 3.79Å; L377-I404 HydrophobicContact CG-CD1 3.73Å; V379-I404 HydrophobicContact CB-CD1 4.37Å; V379-I404 HydrophobicContact CB-CG1 4.28Å; V379-I404 HydrophobicContact CG2-CD1 3.94Å; V379-I404 HydrophobicContact CG2-CG1 4.12Å; P399-I404 HydrophobicContact CB-CB 4.05Å; P399-I404 HydrophobicContact CB-CG2 3.62Å; P399-I404 HydrophobicContact CG-CG2 3.98Å; Y401-I404 WeakPolarHBondContact O-CA 3.44Å; Y401-I404 WeakPolarHBondContact O-CB 3.12Å; Y401-I404 PolarHBondContact O-N 3.08Å; I404-N406 VanDerWaalsContact C-N 3.29Å; I404-N406 PolarHBondContact O-N 2.61Å; I404-A407 PolarHBondContact O-N 3.26Å; I404-S408 VanDerWaalsContact O-CB 3.27Å; I404-S408 WeakPolarHBondContact O-CB 3.49Å; I404-S408 PolarHBondContact O-N 2.82Å; I404-S408 PolarHBondContact O-OG 3.13Å; I404-S408 VanDerWaalsContact O-OG 3.08Å
405	F	97.5	Very high	96.4	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.039	22%	0.224	C	C	.	.	H	α-helix	trans	-55.5	-43.3	178.4	-174.6	-89.5	0	0	0	112.5	I398 P399 Y401 V402 S408 C410 N411 V414 F421 L423	I398-F405 HydrophobicContact CG2-CD2 3.86Å; I398-F405 HydrophobicContact CG2-CE2 3.66Å; P399-F405 HydrophobicContact CB-CB 4.3Å; Y401-F405 PolarHBondContact O-N 3.41Å; V402-F405 PolarHBondContact O-N 3.32Å; F405-S408 PolarHBondContact O-OG 3.04Å; F405-C410 HydrophobicContact CD1-CB 3.92Å; F405-C410 HydrophobicContact CD2-CB 3.54Å; F405-C410 HydrophobicContact CE1-CB 3.7Å; F405-C410 HydrophobicContact CE2-CB 3.32Å; F405-C410 HydrophobicContact CG-CB 3.84Å; F405-C410 HydrophobicContact CZ-CB 3.4Å; F405-C410 VanDerWaalsContact CZ-CB 3.4Å; F405-C410 WeakPolarHBondContact O-CB 3.27Å; F405-C410 PolarHBondContact O-N 3.43Å; F405-N411 VanDerWaalsContact CE1-OD1 3.28Å; F405-N411 WeakPolarHBondContact CE1-OD1 3.25Å; F405-V414 HydrophobicContact CE1-CG2 4.5Å; F405-V414 HydrophobicContact CZ-CG2 3.85Å; F405-F421 VanDerWaalsContact CE2-O 3.28Å; F405-F421 WeakPolarHBondContact CE2-O 3.36Å; F405-F421 WeakPolarHBondContact CZ-O 3.15Å; F405-L423 HydrophobicContact CB-CD2 4.01Å; F405-L423 HydrophobicContact CD1-CD2 4.43Å; F405-L423 HydrophobicContact CD1-CG 4.45Å; F405-L423 HydrophobicContact CD2-CD2 3.29Å; F405-L423 HydrophobicContact CD2-CG 3.86Å; F405-L423 HydrophobicContact CE1-CG 4.49Å; F405-L423 HydrophobicContact CE2-CD2 3.78Å; F405-L423 HydrophobicContact CE2-CG 3.89Å; F405-L423 HydrophobicContact CG-CD2 3.66Å; F405-L423 HydrophobicContact CG-CG 4.15Å; F405-L423 HydrophobicContact CZ-CG 4.22Å
406	N	96.8	Very high	96.3	Very high	79 Å²	79	51.3 Å²	51.3	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-68.7	-45.9	178.1	-71	-15.5	0	0	0	111.5	V402 I404 G409 N411	V402-N406 VanDerWaalsContact O-CB 3.26Å; V402-N406 WeakPolarHBondContact O-CB 3.23Å; V402-N406 PolarHBondContact O-N 3.18Å; V402-N406 PolarHBondContact O-ND2 2.83Å; I404-N406 VanDerWaalsContact C-N 3.29Å; I404-N406 PolarHBondContact O-N 2.61Å; N406-G409 PolarHBondContact O-N 3.26Å; N406-N411 PolarHBondContact OD1-ND2 3.36Å; N406-N411 PolarHBondContact OD1-OD1 3.34Å
407	A	97.1	Very high	96.3	Very high	27 Å²	27	52.2 Å²	52.2	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-35.7	-176.1	0	0	0	0	0	112.9	N299 L302 I373 L377 E403 I404 G409	N299-A407 WeakPolarHBondContact CB-O 3.45Å; N299-A407 PolarHBondContact ND2-O 3.29Å; L302-A407 WeakPolarHBondContact CD1-O 3.33Å; I373-A407 HydrophobicContact CD1-CB 3.52Å; L377-A407 HydrophobicContact CD2-CB 4.1Å; E403-A407 WeakPolarHBondContact O-CB 3.44Å; E403-A407 PolarHBondContact O-N 3.19Å; E403-A407 VanDerWaalsContact O-N 3.09Å; I404-A407 PolarHBondContact O-N 3.26Å; A407-G409 PolarHBondContact O-N 3.09Å
408	S	95.5	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.8	-179	71.6	0	0	0	0	114.1	N298 N299 I404 F405 C410	N298-S408 CarbonylContact C-O 3.6Å; N298-S408 VanDerWaalsContact CA-O 3.23Å; N298-S408 WeakPolarHBondContact CA-O 3.27Å; N298-S408 WeakPolarHBondContact CB-O 3.47Å; N298-S408 PolarHBondContact N-O 3.25Å; N299-S408 PolarHBondContact N-O 3.44Å; I404-S408 VanDerWaalsContact O-CB 3.27Å; I404-S408 WeakPolarHBondContact O-CB 3.49Å; I404-S408 PolarHBondContact O-N 2.82Å; I404-S408 PolarHBondContact O-OG 3.13Å; I404-S408 VanDerWaalsContact O-OG 3.08Å; F405-S408 PolarHBondContact O-OG 3.04Å; S408-C410 PolarHBondContact OG-SG 3.27Å
409	G	95.3	Very high	96.4	Very high	10 Å²	10	55 Å²	55	10%	0.103	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	10.2	175.8	0	0	0	0	0	115.2	N406 A407 N411 K412	N406-G409 PolarHBondContact O-N 3.26Å; A407-G409 PolarHBondContact O-N 3.09Å; G409-N411 VanDerWaalsContact C-N 3.26Å; G409-N411 PolarHBondContact O-N 2.54Å; G409-K412 PolarHBondContact O-N 3.35Å
410	C	95.1	Very high	96.4	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-31.8	179.7	-67.3	0	0	0	0	113.1	F405 S408 K412 L413 V414	F405-C410 HydrophobicContact CD1-CB 3.92Å; F405-C410 HydrophobicContact CD2-CB 3.54Å; F405-C410 HydrophobicContact CE1-CB 3.7Å; F405-C410 HydrophobicContact CE2-CB 3.32Å; F405-C410 HydrophobicContact CG-CB 3.84Å; F405-C410 HydrophobicContact CZ-CB 3.4Å; F405-C410 VanDerWaalsContact CZ-CB 3.4Å; F405-C410 WeakPolarHBondContact O-CB 3.27Å; F405-C410 PolarHBondContact O-N 3.43Å; S408-C410 PolarHBondContact OG-SG 3.27Å; C410-K412 VanDerWaalsContact C-N 3.28Å; C410-K412 PolarHBondContact O-N 2.82Å; C410-L413 WeakPolarHBondContact O-CA 3.35Å; C410-L413 WeakPolarHBondContact O-CB 3.28Å; C410-L413 PolarHBondContact O-N 2.96Å; C410-V414 PolarHBondContact O-N 2.74Å
411	N	96.2	Very high	96.3	Very high	77 Å²	77	53.4 Å²	53.4	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-54	-42	175.6	-72.7	-35.3	0	0	0	113.2	F405 N406 G409 L413 V414 E415	F405-N411 VanDerWaalsContact CE1-OD1 3.28Å; F405-N411 WeakPolarHBondContact CE1-OD1 3.25Å; N406-N411 PolarHBondContact OD1-ND2 3.36Å; N406-N411 PolarHBondContact OD1-OD1 3.34Å; G409-N411 VanDerWaalsContact C-N 3.26Å; G409-N411 PolarHBondContact O-N 2.54Å; N411-L413 VanDerWaalsContact C-N 3.28Å; N411-L413 PolarHBondContact O-N 2.92Å; N411-V414 PolarHBondContact O-N 2.9Å; N411-E415 PolarHBondContact O-N 3.03Å
412	K	95.9	Very high	96.1	Very high	153 Å²	153	53.8 Å²	53.8	67%	0.665	28%	0.278	S	S	*	.	H	α-helix	trans	-68.2	-31	178.4	-68.5	-178.4	177.7	179.1	0	112	G409 C410 K416	G409-K412 PolarHBondContact O-N 3.35Å; C410-K412 VanDerWaalsContact C-N 3.28Å; C410-K412 PolarHBondContact O-N 2.82Å; K412-K416 WeakPolarHBondContact O-CB 3.36Å; K412-K416 PolarHBondContact O-N 3.21Å; K412-K416 VanDerWaalsContact O-N 3.13Å
413	L	95.8	Very high	95.9	Very high	20 Å²	20	52.5 Å²	52.5	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-73.9	-37.1	175.7	-62.3	179.4	0	0	0	111.4	L209 N298 C410 N411 K416 Y417 F421	L209-L413 HydrophobicContact CD1-CD1 4.45Å; L209-L413 HydrophobicContact CD1-CD2 4.15Å; N298-L413 HydrophobicContact CB-CD1 3.78Å; N298-L413 HydrophobicContact CB-CG 4.47Å; N298-L413 VanDerWaalsContact CG-CD1 3.44Å; C410-L413 WeakPolarHBondContact O-CA 3.35Å; C410-L413 WeakPolarHBondContact O-CB 3.28Å; C410-L413 PolarHBondContact O-N 2.96Å; N411-L413 VanDerWaalsContact C-N 3.28Å; N411-L413 PolarHBondContact O-N 2.92Å; L413-K416 PolarHBondContact O-N 2.68Å; L413-Y417 HydrophobicContact CD2-CD2 4.1Å; L413-Y417 HydrophobicContact CD2-CE2 3.92Å; L413-Y417 WeakPolarHBondContact O-CB 3.31Å; L413-Y417 PolarHBondContact O-N 3.12Å; L413-F421 HydrophobicContact CB-CB 3.77Å; L413-F421 HydrophobicContact CB-CD1 3.86Å; L413-F421 HydrophobicContact CB-CD2 3.92Å; L413-F421 HydrophobicContact CB-CE1 4.43Å; L413-F421 HydrophobicContact CB-CE2 4.48Å; L413-F421 HydrophobicContact CB-CG 3.57Å; L413-F421 HydrophobicContact CD1-CD1 3.6Å; L413-F421 HydrophobicContact CD1-CE1 3.75Å; L413-F421 HydrophobicContact CD1-CG 4.21Å; L413-F421 HydrophobicContact CD1-CZ 4.47Å; L413-F421 HydrophobicContact CG-CD1 4.35Å
414	V	96.7	Very high	95.7	Very high	47 Å²	47	51.5 Å²	51.5	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-45.3	172.2	175.6	0	0	0	0	111	F405 C410 N411 K416 G418 F421	F405-V414 HydrophobicContact CE1-CG2 4.5Å; F405-V414 HydrophobicContact CZ-CG2 3.85Å; C410-V414 PolarHBondContact O-N 2.74Å; N411-V414 PolarHBondContact O-N 2.9Å; V414-K416 VanDerWaalsContact C-N 3.25Å; V414-K416 PolarHBondContact O-N 2.83Å; V414-G418 WeakPolarHBondContact O-CA 3.24Å; V414-G418 PolarHBondContact O-N 3.47Å; V414-F421 HydrophobicContact CG2-CB 4.03Å; V414-F421 WeakPolarHBondContact CG2-O 3.46Å
415	E	96.8	Very high	95.6	Very high	173 Å²	173	55.9 Å²	55.9	81%	0.808	29%	0.287	S	S	*	.	H	α-helix	trans	-58.9	-39.4	176.4	-174.6	-178.8	-175.5	0	0	111.8	N411	N411-E415 PolarHBondContact O-N 3.03Å
416	K	95.6	Very high	95.5	Very high	146 Å²	146	55.7 Å²	55.7	64%	0.635	29%	0.286	S	S	*	.	H	α-helix	trans	-84	-40.9	-175	-173.1	173.6	-179.8	-168.8	0	114.6	K412 L413 V414	K412-K416 WeakPolarHBondContact O-CB 3.36Å; K412-K416 PolarHBondContact O-N 3.21Å; K412-K416 VanDerWaalsContact O-N 3.13Å; L413-K416 PolarHBondContact O-N 2.68Å; V414-K416 VanDerWaalsContact C-N 3.25Å; V414-K416 PolarHBondContact O-N 2.83Å
417	Y	95.3	Very high	95.5	Very high	56 Å²	56	52.8 Å²	52.8	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-122.2	1.8	-169.7	-56.8	-68.3	0	0	0	113.2	L209 L413 F421 P489 F490	L209-Y417 HydrophobicContact CD2-CE2 3.71Å; L209-Y417 WeakPolarHBondContact CD2-OH 3.27Å; L413-Y417 HydrophobicContact CD2-CD2 4.1Å; L413-Y417 HydrophobicContact CD2-CE2 3.92Å; L413-Y417 WeakPolarHBondContact O-CB 3.31Å; L413-Y417 PolarHBondContact O-N 3.12Å; Y417-F421 HydrophobicContact CD2-CD2 4.07Å; Y417-F421 AromaticContact CD2-CE2 3.56Å; Y417-F421 HydrophobicContact CD2-CE2 3.56Å; Y417-F421 HydrophobicContact CD2-CZ 4.29Å; Y417-F421 HydrophobicContact CE2-CE2 4.46Å; Y417-F421 HydrophobicContact CG-CD2 4.31Å; Y417-F421 AromaticContact CG-CE2 3.83Å; Y417-F421 HydrophobicContact CG-CE2 3.83Å; Y417-P489 HydrophobicContact CD1-CB 4.45Å; Y417-F490 AromaticContact CD1-CD1 3.7Å; Y417-F490 HydrophobicContact CD1-CD1 3.7Å; Y417-F490 HydrophobicContact CD1-CE1 4.29Å; Y417-F490 HydrophobicContact CD2-CD1 4.5Å; Y417-F490 HydrophobicContact CE1-CB 4.35Å; Y417-F490 HydrophobicContact CE1-CD1 4.02Å; Y417-F490 AromaticContact CG-CD1 3.96Å; Y417-F490 HydrophobicContact CG-CD1 3.96Å; Y417-F490 HydrophobicContact CG-CE1 4.25Å
418	G	95.3	Very high	95.5	Very high	23 Å²	23	52.1 Å²	52.1	24%	0.237	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	75.2	-149.6	173.2	0	0	0	0	0	114.3	V414 W420 F421	V414-G418 WeakPolarHBondContact O-CA 3.24Å; V414-G418 PolarHBondContact O-N 3.47Å; G418-W420 PolarHBondContact O-N 2.97Å; G418-F421 PolarHBondContact O-N 3.49Å
419	P	95.4	Very high	95.7	Very high	65 Å²	65	52.5 Å²	52.5	42%	0.422	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-67.3	-14.1	-163.9	26.2	-34.7	0	0	0	114.4	F421 S422 Q425 N426	P419-F421 PolarHBondContact O-N 2.87Å; P419-S422 WeakPolarHBondContact O-CB 3.3Å; P419-S422 PolarHBondContact O-N 2.86Å; P419-S422 PolarHBondContact O-OG 2.84Å; P419-Q425 HydrophobicContact CB-CB 3.71Å; P419-Q425 CarbonylContact O-C 3.5Å; P419-N426 WeakPolarHBondContact O-CA 3.47Å; P419-N426 PolarHBondContact O-N 3.22Å
420	W	96.1	Very high	95.8	Very high	36 Å²	36	54 Å²	54	14%	0.136	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-57.7	-33.3	177.7	-161.8	96.1	0	0	0	112.7	G210 G418 N426 E472 N473 F490	G210-W420 WeakPolarHBondContact O-CH2 3.43Å; G418-W420 PolarHBondContact O-N 2.97Å; W420-N426 WeakPolarHBondContact O-CB 3.21Å; W420-E472 HydrophobicContact CZ2-CG 4.36Å; W420-N473 PolarHBondContact NE1-OD1 2.8Å; W420-F490 HydrophobicContact CB-CZ 4.4Å; W420-F490 HydrophobicContact CD2-CE2 4.02Å; W420-F490 AromaticContact CD2-CZ 3.52Å; W420-F490 HydrophobicContact CD2-CZ 3.52Å; W420-F490 AromaticContact CE2-CZ 3.89Å; W420-F490 AromaticContact CE3-CE2 3.98Å; W420-F490 HydrophobicContact CE3-CE2 3.98Å; W420-F490 AromaticContact CE3-CZ 3.74Å; W420-F490 HydrophobicContact CE3-CZ 3.74Å; W420-F490 AromaticContact CG-CZ 3.81Å; W420-F490 HydrophobicContact CG-CZ 3.81Å; W420-F490 HydrophobicContact CH2-CE2 4.25Å; W420-F490 HydrophobicContact CZ2-CE2 4.21Å; W420-F490 HydrophobicContact CZ2-CZ 4.46Å; W420-F490 HydrophobicContact CZ3-CE2 4.11Å; W420-F490 HydrophobicContact CZ3-CZ 4.34Å
421	F	95.9	Very high	96	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.026	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-99	7.8	177.4	-66.3	-85.2	0	0	0	113.7	F405 L413 V414 Y417 G418 P419 F490	F405-F421 VanDerWaalsContact CE2-O 3.28Å; F405-F421 WeakPolarHBondContact CE2-O 3.36Å; F405-F421 WeakPolarHBondContact CZ-O 3.15Å; L413-F421 HydrophobicContact CB-CB 3.77Å; L413-F421 HydrophobicContact CB-CD1 3.86Å; L413-F421 HydrophobicContact CB-CD2 3.92Å; L413-F421 HydrophobicContact CB-CE1 4.43Å; L413-F421 HydrophobicContact CB-CE2 4.48Å; L413-F421 HydrophobicContact CB-CG 3.57Å; L413-F421 HydrophobicContact CD1-CD1 3.6Å; L413-F421 HydrophobicContact CD1-CE1 3.75Å; L413-F421 HydrophobicContact CD1-CG 4.21Å; L413-F421 HydrophobicContact CD1-CZ 4.47Å; L413-F421 HydrophobicContact CG-CD1 4.35Å; V414-F421 HydrophobicContact CG2-CB 4.03Å; V414-F421 WeakPolarHBondContact CG2-O 3.46Å; Y417-F421 HydrophobicContact CD2-CD2 4.07Å; Y417-F421 AromaticContact CD2-CE2 3.56Å; Y417-F421 HydrophobicContact CD2-CE2 3.56Å; Y417-F421 HydrophobicContact CD2-CZ 4.29Å; Y417-F421 HydrophobicContact CE2-CE2 4.46Å; Y417-F421 HydrophobicContact CG-CD2 4.31Å; Y417-F421 AromaticContact CG-CE2 3.83Å; Y417-F421 HydrophobicContact CG-CE2 3.83Å; G418-F421 PolarHBondContact O-N 3.49Å; P419-F421 PolarHBondContact O-N 2.87Å; F421-F490 HydrophobicContact CE2-CD1 4.15Å; F421-F490 AromaticContact CE2-CE1 3.74Å; F421-F490 HydrophobicContact CE2-CE1 3.74Å; F421-F490 HydrophobicContact CE2-CE2 4.19Å; F421-F490 AromaticContact CE2-CZ 3.76Å; F421-F490 HydrophobicContact CE2-CZ 3.76Å; F421-F490 HydrophobicContact CZ-CD1 4.49Å; F421-F490 HydrophobicContact CZ-CD2 4.21Å; F421-F490 HydrophobicContact CZ-CE1 4.28Å; F421-F490 AromaticContact CZ-CE2 3.94Å; F421-F490 HydrophobicContact CZ-CE2 3.94Å; F421-F490 HydrophobicContact CZ-CG 4.48Å; F421-F490 AromaticContact CZ-CZ 3.99Å; F421-F490 HydrophobicContact CZ-CZ 3.99Å
422	S	94.9	Very high	96.1	Very high	14 Å²	14	50.2 Å²	50.2	10%	0.098	25%	0.25	C	C	.	.	S	Bend	trans	-79.1	157.5	-179.8	72.3	0	0	0	0	112	P419 D424 Q425 N426	P419-S422 WeakPolarHBondContact O-CB 3.3Å; P419-S422 PolarHBondContact O-N 2.86Å; P419-S422 PolarHBondContact O-OG 2.84Å; S422-D424 VanDerWaalsContact C-N 3.29Å; S422-D424 PolarHBondContact O-N 3.34Å; S422-Q425 VanDerWaalsContact OG-CA 3.3Å; S422-Q425 WeakPolarHBondContact OG-CA 3.48Å; S422-Q425 WeakPolarHBondContact OG-CB 3.3Å; S422-Q425 PolarHBondContact OG-N 3.22Å; S422-N426 PolarHBondContact O-ND2 3.1Å; S422-N426 VanDerWaalsContact O-ND2 3.1Å; S422-N426 PolarHBondContact OG-N 2.78Å
423	L	91.3	Very high	96.2	Very high	56 Å²	56	48.7 Å²	48.7	29%	0.293	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-44.7	178.8	-70.5	171.6	0	0	0	113.1	Y396 I398 P399 V402 F405	Y396-L423 WeakPolarHBondContact CE2-O 3.24Å; Y396-L423 PolarHBondContact OH-O 2.64Å; I398-L423 HydrophobicContact CG2-CD2 4.26Å; P399-L423 WeakPolarHBondContact O-CD2 3.49Å; V402-L423 HydrophobicContact CG2-CD1 4.18Å; F405-L423 HydrophobicContact CB-CD2 4.01Å; F405-L423 HydrophobicContact CD1-CD2 4.43Å; F405-L423 HydrophobicContact CD1-CG 4.45Å; F405-L423 HydrophobicContact CD2-CD2 3.29Å; F405-L423 HydrophobicContact CD2-CG 3.86Å; F405-L423 HydrophobicContact CE1-CG 4.49Å; F405-L423 HydrophobicContact CE2-CD2 3.78Å; F405-L423 HydrophobicContact CE2-CG 3.89Å; F405-L423 HydrophobicContact CG-CD2 3.66Å; F405-L423 HydrophobicContact CG-CG 4.15Å; F405-L423 HydrophobicContact CZ-CG 4.22Å
424	D	92.6	Very high	96.3	Very high	81 Å²	81	52.1 Å²	52.1	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-9.2	-168.1	74.8	-22.8	0	0	0	115.2	S422 A429 Q430	S422-D424 VanDerWaalsContact C-N 3.29Å; S422-D424 PolarHBondContact O-N 3.34Å; D424-A429 WeakPolarHBondContact O-CB 3.47Å; D424-Q430 PolarHBondContact O-NE2 2.74Å
425	Q	96.1	Very high	96.4	Very high	93 Å²	93	50.2 Å²	50.2	44%	0.435	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	0.2	178.9	-49.4	-58.8	-45.5	0	0	114	P419 S422	P419-Q425 HydrophobicContact CB-CB 3.71Å; P419-Q425 CarbonylContact O-C 3.5Å; S422-Q425 VanDerWaalsContact OG-CA 3.3Å; S422-Q425 WeakPolarHBondContact OG-CA 3.48Å; S422-Q425 WeakPolarHBondContact OG-CB 3.3Å; S422-Q425 PolarHBondContact OG-N 3.22Å
426	N	96	Very high	96.5	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.027	21%	0.208	C	C	.	.	S	Bend	trans	-66.5	155.3	174.9	73	74.5	0	0	0	111.2	Y396 P419 W420 S422 R428 A429 Q430	Y396-N426 WeakPolarHBondContact CD2-ND2 3.39Å; Y396-N426 WeakPolarHBondContact CE2-ND2 3.22Å; P419-N426 WeakPolarHBondContact O-CA 3.47Å; P419-N426 PolarHBondContact O-N 3.22Å; W420-N426 WeakPolarHBondContact O-CB 3.21Å; S422-N426 PolarHBondContact O-ND2 3.1Å; S422-N426 VanDerWaalsContact O-ND2 3.1Å; S422-N426 PolarHBondContact OG-N 2.78Å; N426-R428 VanDerWaalsContact C-N 3.33Å; N426-R428 PolarHBondContact O-N 3.45Å; N426-R428 PolarHBondContact OD1-N 3.25Å; N426-A429 WeakPolarHBondContact ND2-CB 3.37Å; N426-A429 WeakPolarHBondContact O-CB 3.26Å; N426-A429 PolarHBondContact O-N 2.73Å; N426-A429 PolarHBondContact OD1-N 3.06Å; N426-Q430 WeakPolarHBondContact O-CG 3.49Å; N426-Q430 PolarHBondContact O-N 3.27Å; N426-Q430 VanDerWaalsContact O-N 3.1Å
427	P	97.3	Very high	96.6	Very high	18 Å²	18	40.1 Å²	40.1	12%	0.117	20%	0.204	C	C	.	.	H	α-helix	trans	-51	-45.9	-175.3	-33.4	38.8	0	0	0	114.8	Q430 I431 L459 N473	P427-Q430 PolarHBondContact O-N 3.21Å; P427-I431 WeakPolarHBondContact O-CD1 3.2Å; P427-I431 WeakPolarHBondContact O-CG1 3.21Å; P427-I431 PolarHBondContact O-N 3.37Å; P427-L459 WeakPolarHBondContact CB-O 3.5Å; P427-N473 HydrophobicContact CB-CB 3.79Å; P427-N473 HydrophobicContact CG-CB 3.93Å
428	R	97.4	Very high	96.7	Very high	13 Å²	13	45.8 Å²	45.8	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-67.9	-43.8	-178.2	-80.5	-176.5	-73.5	172.1	-2	112.4	C214 S215 Y396 N397 N426 Q430 I431 F432 A474	C214-R428 PolarHBondContact O-NH1 3.29Å; S215-R428 VanDerWaalsContact OG-CD 3.27Å; S215-R428 WeakPolarHBondContact OG-CD 3.27Å; S215-R428 PolarHBondContact OG-NH1 3.34Å; S215-R428 VanDerWaalsContact OG-NH1 3.12Å; Y396-R428 HydrophobicContact CG-CB 4.13Å; Y396-R428 PolarHBondContact O-NH2 2.71Å; N397-R428 PolarHBondContact OD1-NH1 3.1Å; N397-R428 PolarHBondContact OD1-NH2 3.05Å; N426-R428 VanDerWaalsContact C-N 3.33Å; N426-R428 PolarHBondContact O-N 3.45Å; N426-R428 PolarHBondContact OD1-N 3.25Å; R428-Q430 VanDerWaalsContact C-N 3.25Å; R428-Q430 PolarHBondContact O-N 2.97Å; R428-I431 PolarHBondContact O-N 3.2Å; R428-F432 WeakPolarHBondContact O-CD2 3.37Å; R428-F432 PolarHBondContact O-N 2.81Å; R428-A474 WeakPolarHBondContact CD-O 3.21Å; R428-A474 WeakPolarHBondContact CG-O 3.48Å
429	A	97.9	Very high	96.9	Very high	8 Å²	8	44.7 Å²	44.7	7%	0.066	21%	0.214	C	C	.	.	H	α-helix	trans	-54.7	-45.1	174.3	0	0	0	0	0	111.6	Y396 D424 N426 K433	Y396-A429 HydrophobicContact CD1-CB 4.44Å; Y396-A429 HydrophobicContact CD2-CB 4.38Å; Y396-A429 HydrophobicContact CE1-CB 3.78Å; Y396-A429 HydrophobicContact CE2-CB 3.74Å; Y396-A429 WeakPolarHBondContact OH-CB 3.21Å; D424-A429 WeakPolarHBondContact O-CB 3.47Å; N426-A429 WeakPolarHBondContact ND2-CB 3.37Å; N426-A429 WeakPolarHBondContact O-CB 3.26Å; N426-A429 PolarHBondContact O-N 2.73Å; N426-A429 PolarHBondContact OD1-N 3.06Å; A429-K433 VanDerWaalsContact O-CB 3.23Å; A429-K433 WeakPolarHBondContact O-CB 3.02Å; A429-K433 PolarHBondContact O-N 3.3Å
430	Q	98.4	Very high	96.9	Very high	40 Å²	40	46.3 Å²	46.3	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-40.7	179.8	-65.2	-68.9	-42.4	0	0	112.2	D424 N426 P427 R428 K433 R434 L459	D424-Q430 PolarHBondContact O-NE2 2.74Å; N426-Q430 WeakPolarHBondContact O-CG 3.49Å; N426-Q430 PolarHBondContact O-N 3.27Å; N426-Q430 VanDerWaalsContact O-N 3.1Å; P427-Q430 PolarHBondContact O-N 3.21Å; R428-Q430 VanDerWaalsContact C-N 3.25Å; R428-Q430 PolarHBondContact O-N 2.97Å; Q430-K433 PolarHBondContact O-N 3.19Å; Q430-R434 WeakPolarHBondContact O-CB 3.24Å; Q430-R434 PolarHBondContact O-N 2.86Å; Q430-L459 HydrophobicContact CB-CD1 3.88Å; Q430-L459 HydrophobicContact CB-CD2 4.01Å
431	I	98.7	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-46.8	176	-67.4	163.6	0	0	0	110.4	P427 R428 R434 N435 Y451 L459 I475	P427-I431 WeakPolarHBondContact O-CD1 3.2Å; P427-I431 WeakPolarHBondContact O-CG1 3.21Å; P427-I431 PolarHBondContact O-N 3.37Å; R428-I431 PolarHBondContact O-N 3.2Å; I431-R434 PolarHBondContact O-N 3.37Å; I431-N435 VanDerWaalsContact O-CB 3.29Å; I431-N435 WeakPolarHBondContact O-CB 3.5Å; I431-N435 PolarHBondContact O-N 3.31Å; I431-Y451 HydrophobicContact CD1-CE1 4.31Å; I431-Y451 HydrophobicContact CG2-CD1 3.8Å; I431-Y451 HydrophobicContact CG2-CE1 3.88Å; I431-L459 HydrophobicContact CB-CD1 4.5Å; I431-L459 HydrophobicContact CD1-CB 4.42Å; I431-L459 HydrophobicContact CG1-CB 3.9Å; I431-L459 HydrophobicContact CG1-CD1 3.77Å; I431-I475 HydrophobicContact CG2-CD1 3.63Å; I431-I475 HydrophobicContact CG2-CG1 3.88Å
432	F	98.6	Very high	97.1	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-49.9	175.8	-80.1	-58.2	0	0	0	111.5	L217 A394 Y396 R428 R434 N435 Q436 L448 M449 I475	L217-F432 HydrophobicContact CB-CE1 3.96Å; L217-F432 HydrophobicContact CD1-CD1 4.15Å; L217-F432 HydrophobicContact CD1-CE1 4.34Å; L217-F432 HydrophobicContact CD2-CD1 4.22Å; L217-F432 HydrophobicContact CD2-CE1 4.1Å; L217-F432 HydrophobicContact CG-CE1 4.37Å; A394-F432 HydrophobicContact CB-CB 3.98Å; A394-F432 HydrophobicContact CB-CD1 4.25Å; A394-F432 HydrophobicContact CB-CD2 3.76Å; A394-F432 HydrophobicContact CB-CE2 4.25Å; A394-F432 HydrophobicContact CB-CG 3.75Å; Y396-F432 AromaticContact CD1-CD2 3.86Å; Y396-F432 HydrophobicContact CD1-CD2 3.86Å; Y396-F432 HydrophobicContact CD1-CE2 4.16Å; R428-F432 WeakPolarHBondContact O-CD2 3.37Å; R428-F432 PolarHBondContact O-N 2.81Å; F432-R434 VanDerWaalsContact C-N 3.26Å; F432-R434 PolarHBondContact O-N 3.06Å; F432-N435 PolarHBondContact O-N 2.97Å; F432-Q436 VanDerWaalsContact O-CB 3.23Å; F432-Q436 WeakPolarHBondContact O-CB 3.48Å; F432-Q436 VanDerWaalsContact O-CG 3.3Å; F432-Q436 WeakPolarHBondContact O-CG 3.24Å; F432-Q436 PolarHBondContact O-N 2.88Å; F432-L448 HydrophobicContact CD1-CD2 4.4Å; F432-M449 HydrophobicContact CE1-SD 3.91Å; F432-M449 HydrophobicContact CZ-SD 4.17Å; F432-I475 HydrophobicContact CD1-CD1 3.81Å; F432-I475 HydrophobicContact CD1-CG1 4.45Å; F432-I475 HydrophobicContact CE1-CD1 3.56Å; F432-I475 HydrophobicContact CE1-CG1 4.03Å; F432-I475 HydrophobicContact CE1-CG2 4.19Å; F432-I475 HydrophobicContact CE2-CG1 4.17Å; F432-I475 HydrophobicContact CG-CD1 4.38Å; F432-I475 HydrophobicContact CZ-CB 4.47Å; F432-I475 HydrophobicContact CZ-CD1 3.96Å; F432-I475 HydrophobicContact CZ-CG1 3.89Å; F432-I475 HydrophobicContact CZ-CG2 3.77Å
433	K	98.3	Very high	97.3	Very high	121 Å²	121	57.4 Å²	57.4	53%	0.526	27%	0.274	S	S	.	.	H	α-helix	trans	-55	-41.8	178.6	-176.2	178.5	-178.6	179.1	0	112.2	A429 Q430	A429-K433 VanDerWaalsContact O-CB 3.23Å; A429-K433 WeakPolarHBondContact O-CB 3.02Å; A429-K433 PolarHBondContact O-N 3.3Å; Q430-K433 PolarHBondContact O-N 3.19Å
434	R	98.4	Very high	97.6	Very high	93 Å²	93	55.9 Å²	55.9	35%	0.351	27%	0.268	S	S	.	.	H	α-helix	trans	-71.8	-41.9	178.4	-175.5	-170.9	67	-161.1	-9.9	112.9	Q430 I431 F432 D457	Q430-R434 WeakPolarHBondContact O-CB 3.24Å; Q430-R434 PolarHBondContact O-N 2.86Å; I431-R434 PolarHBondContact O-N 3.37Å; F432-R434 VanDerWaalsContact C-N 3.26Å; F432-R434 PolarHBondContact O-N 3.06Å; R434-D457 IonicContact CZ-OD1 3.39Å; R434-D457 IonicContact CZ-OD2 3.08Å; R434-D457 IonicContact NH1-OD1 2.74Å; R434-D457 PolarHBondContact NH1-OD1 2.66Å; R434-D457 IonicContact NH1-OD2 3.9Å; R434-D457 PolarHBondContact NH1-OD2 3.32Å; R434-D457 IonicContact NH2-OD1 3.57Å; R434-D457 IonicContact NH2-OD2 2.73Å; R434-D457 PolarHBondContact NH2-OD2 3.28Å
435	N	98.4	Very high	97.9	Very high	6 Å²	6	52 Å²	52	3%	0.032	25%	0.247	C	C	.	.	H	α-helix	trans	-105.6	-17.4	-163.3	-71.1	-9.6	0	0	0	115.2	I431 F432 T437 R438 L448	I431-N435 VanDerWaalsContact O-CB 3.29Å; I431-N435 WeakPolarHBondContact O-CB 3.5Å; I431-N435 PolarHBondContact O-N 3.31Å; F432-N435 PolarHBondContact O-N 2.97Å; N435-T437 PolarHBondContact O-N 3.01Å; N435-T437 VanDerWaalsContact O-N 3.08Å; N435-R438 VanDerWaalsContact O-CB 3.28Å; N435-R438 WeakPolarHBondContact O-CB 3.42Å; N435-R438 PolarHBondContact O-N 3.13Å; N435-L448 HydrophobicContact CB-CD1 3.57Å; N435-L448 HydrophobicContact CB-CD2 4.4Å
436	Q	98	Very high	98	Very high	17 Å²	17	48.4 Å²	48.4	8%	0.079	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29	-173	66.1	84.2	9.3	0	0	114.2	Y392 F432 R438 V439	Y392-Q436 HydrophobicContact CD1-CB 4.39Å; Y392-Q436 HydrophobicContact CD1-CG 3.58Å; Y392-Q436 HydrophobicContact CD2-CB 4.21Å; Y392-Q436 HydrophobicContact CD2-CG 4.13Å; Y392-Q436 HydrophobicContact CE1-CG 3.62Å; Y392-Q436 HydrophobicContact CE2-CB 4.48Å; Y392-Q436 HydrophobicContact CE2-CG 4.15Å; Y392-Q436 HydrophobicContact CG-CB 4.15Å; Y392-Q436 HydrophobicContact CG-CG 3.85Å; F432-Q436 VanDerWaalsContact O-CB 3.23Å; F432-Q436 WeakPolarHBondContact O-CB 3.48Å; F432-Q436 VanDerWaalsContact O-CG 3.3Å; F432-Q436 WeakPolarHBondContact O-CG 3.24Å; F432-Q436 PolarHBondContact O-N 2.88Å; Q436-R438 PolarHBondContact O-N 3.32Å; Q436-V439 WeakPolarHBondContact O-CB 3.42Å; Q436-V439 PolarHBondContact O-N 2.93Å; Q436-V439 VanDerWaalsContact O-N 3.1Å
437	T	97.8	Very high	98.2	Very high	90 Å²	90	56.7 Å²	56.7	55%	0.552	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.7	177.5	53.3	0	0	0	0	113.3	N435 V439	N435-T437 PolarHBondContact O-N 3.01Å; N435-T437 VanDerWaalsContact O-N 3.08Å; T437-V439 VanDerWaalsContact C-N 3.26Å
438	R	97.8	Very high	98.2	Very high	175 Å²	175	56.4 Å²	56.4	66%	0.66	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-78.3	-12.2	174.3	-59.2	179.4	175.1	178.9	-2.3	112.5	N435 Q436 I440 S444	N435-R438 VanDerWaalsContact O-CB 3.28Å; N435-R438 WeakPolarHBondContact O-CB 3.42Å; N435-R438 PolarHBondContact O-N 3.13Å; Q436-R438 PolarHBondContact O-N 3.32Å; R438-I440 PolarHBondContact O-N 2.65Å; R438-S444 WeakPolarHBondContact O-CB 3.21Å
439	V	98.4	Very high	98.3	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	26%	0.258	C	S	.	.			trans	-81.2	105.4	174.1	-176	0	0	0	0	108.8	L217 K219 L228 Q436 T437 S444 M445 L448	L217-V439 HydrophobicContact CD2-CG2 4.33Å; K219-V439 HydrophobicContact CB-CG1 4.44Å; K219-V439 HydrophobicContact CD-CB 4.32Å; K219-V439 WeakPolarHBondContact CE-O 3.11Å; K219-V439 HydrophobicContact CG-CB 4.08Å; K219-V439 HydrophobicContact CG-CG1 3.82Å; L228-V439 HydrophobicContact CD1-CG1 4.28Å; Q436-V439 WeakPolarHBondContact O-CB 3.42Å; Q436-V439 PolarHBondContact O-N 2.93Å; Q436-V439 VanDerWaalsContact O-N 3.1Å; T437-V439 VanDerWaalsContact C-N 3.26Å; V439-S444 WeakPolarHBondContact CA-OG 3.41Å; V439-M445 HydrophobicContact CG1-CB 3.63Å; V439-M445 HydrophobicContact CG1-CE 4.42Å; V439-M445 HydrophobicContact CG1-CG 4.33Å; V439-M445 HydrophobicContact CG1-SD 3.99Å; V439-M445 HydrophobicContact CG2-SD 4.42Å; V439-L448 HydrophobicContact CG2-CB 3.96Å; V439-L448 HydrophobicContact CG2-CD2 3.47Å; V439-L448 VanDerWaalsContact CG2-CD2 3.47Å; V439-L448 HydrophobicContact CG2-CG 4.36Å
440	I	97.4	Very high	98.3	Very high	99 Å²	99	55.6 Å²	55.6	51%	0.508	26%	0.255	S	S	.	.			trans	-123.6	-6.5	-177.8	59.6	171.1	0	0	0	112.8	R438 S444	R438-I440 PolarHBondContact O-N 2.65Å; I440-S444 PolarHBondContact N-OG 3.48Å
441	D	97.8	Very high	98.3	Very high	68 Å²	68	55.1 Å²	55.1	36%	0.364	25%	0.252	S	S	.	.	S	Bend	trans	-162.3	-177.7	-178.4	54	36.9	0	0	0	110.7	E443 S444 M445	D441-E443 PolarHBondContact OD1-N 3.26Å; D441-S444 PolarHBondContact N-OG 2.89Å; D441-S444 PolarHBondContact O-OG 2.97Å; D441-S444 VanDerWaalsContact O-OG 3.05Å; D441-S444 VanDerWaalsContact OD1-CB 3.26Å; D441-S444 WeakPolarHBondContact OD1-CB 3.27Å; D441-S444 PolarHBondContact OD1-N 3.28Å; D441-S444 PolarHBondContact OD1-OG 3.08Å; D441-M445 WeakPolarHBondContact O-CB 3.16Å; D441-M445 PolarHBondContact O-N 3.44Å; D441-M445 VanDerWaalsContact O-N 3.14Å
442	L	98.1	Very high	98.3	Very high	59 Å²	59	55.1 Å²	55.1	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-42.8	179.2	-62.4	174.8	0	0	0	112.4	L228 M445 V446 L505 M510 L517	L228-L442 HydrophobicContact CD1-CD2 4.34Å; L228-L442 HydrophobicContact CD2-CD2 3.61Å; L442-M445 WeakPolarHBondContact O-CB 3.37Å; L442-M445 PolarHBondContact O-N 3.49Å; L442-V446 WeakPolarHBondContact O-CG2 3.24Å; L442-V446 PolarHBondContact O-N 3.29Å; L442-L505 HydrophobicContact CB-CD2 4.28Å; L442-L505 HydrophobicContact CD2-CD1 4.49Å; L442-L505 HydrophobicContact CD2-CD2 3.8Å; L442-L505 HydrophobicContact CD2-CG 4.18Å; L442-M510 HydrophobicContact CD1-CE 4.16Å; L442-M510 HydrophobicContact CD2-CE 3.78Å; L442-L517 HydrophobicContact CB-CD1 3.94Å; L442-L517 HydrophobicContact CD1-CD1 4.04Å; L442-L517 HydrophobicContact CD2-CD1 4.42Å; L442-L517 HydrophobicContact CG-CD1 4.36Å
443	E	98.1	Very high	98.3	Very high	161 Å²	161	57.2 Å²	57.2	75%	0.752	26%	0.263	S	S	*	.	H	α-helix	trans	-66.4	-44.7	-176.5	-173.2	-175.8	160.6	0	0	111.6	D441 M445 V446 R447	D441-E443 PolarHBondContact OD1-N 3.26Å; E443-M445 VanDerWaalsContact C-N 3.28Å; E443-M445 PolarHBondContact O-N 2.78Å; E443-V446 PolarHBondContact O-N 2.91Å; E443-R447 WeakPolarHBondContact O-CB 3.39Å; E443-R447 PolarHBondContact O-N 2.91Å
444	S	98.5	Very high	98.3	Very high	24 Å²	24	51.9 Å²	51.9	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-30.3	176	55.6	0	0	0	0	112.8	R438 V439 I440 D441 L448	R438-S444 WeakPolarHBondContact O-CB 3.21Å; V439-S444 WeakPolarHBondContact CA-OG 3.41Å; I440-S444 PolarHBondContact N-OG 3.48Å; D441-S444 PolarHBondContact N-OG 2.89Å; D441-S444 PolarHBondContact O-OG 2.97Å; D441-S444 VanDerWaalsContact O-OG 3.05Å; D441-S444 VanDerWaalsContact OD1-CB 3.26Å; D441-S444 WeakPolarHBondContact OD1-CB 3.27Å; D441-S444 PolarHBondContact OD1-N 3.28Å; D441-S444 PolarHBondContact OD1-OG 3.08Å; S444-L448 PolarHBondContact O-N 3.35Å; S444-L448 VanDerWaalsContact O-N 3.11Å
445	M	98.8	Very high	98.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-50.8	170.4	-178.6	60.7	113.2	0	0	111.3	L217 K219 L228 V439 D441 L442 E443 R447 L448 M449 L505	L217-M445 HydrophobicContact CB-CE 4.25Å; L217-M445 HydrophobicContact CB-SD 4.34Å; L217-M445 HydrophobicContact CD2-CE 4.07Å; L217-M445 HydrophobicContact CD2-SD 3.68Å; L217-M445 HydrophobicContact CG-CE 3.99Å; L217-M445 HydrophobicContact CG-SD 4.19Å; L217-M445 WeakPolarHBondContact O-CE 3.3Å; K219-M445 HydrophobicContact CB-CE 3.57Å; L228-M445 HydrophobicContact CB-CE 3.63Å; L228-M445 HydrophobicContact CD1-CB 4.01Å; L228-M445 HydrophobicContact CD1-CE 4.48Å; L228-M445 HydrophobicContact CD1-CG 4.39Å; V439-M445 HydrophobicContact CG1-CB 3.63Å; V439-M445 HydrophobicContact CG1-CE 4.42Å; V439-M445 HydrophobicContact CG1-CG 4.33Å; V439-M445 HydrophobicContact CG1-SD 3.99Å; V439-M445 HydrophobicContact CG2-SD 4.42Å; D441-M445 WeakPolarHBondContact O-CB 3.16Å; D441-M445 PolarHBondContact O-N 3.44Å; D441-M445 VanDerWaalsContact O-N 3.14Å; L442-M445 WeakPolarHBondContact O-CB 3.37Å; L442-M445 PolarHBondContact O-N 3.49Å; E443-M445 VanDerWaalsContact C-N 3.28Å; E443-M445 PolarHBondContact O-N 2.78Å; M445-R447 VanDerWaalsContact C-N 3.29Å; M445-R447 PolarHBondContact O-N 3.2Å; M445-L448 PolarHBondContact O-N 3.32Å; M445-L448 VanDerWaalsContact O-N 3.12Å; M445-M449 HydrophobicContact CG-CG 4.39Å; M445-M449 WeakPolarHBondContact O-CG 3.33Å; M445-M449 PolarHBondContact O-N 3.04Å; M445-M449 HydrophobicContact SD-CG 3.86Å; M445-L505 HydrophobicContact CB-CD2 3.91Å; M445-L505 HydrophobicContact CG-CD1 3.78Å; M445-L505 HydrophobicContact CG-CD2 3.75Å; M445-L505 HydrophobicContact CG-CG 4.35Å
446	V	98.7	Very high	98.3	Very high	18 Å²	18	57.3 Å²	57.3	11%	0.109	28%	0.279	C	S	.	.	H	α-helix	trans	-52.8	-49	176	167.7	0	0	0	0	110.5	L442 E443 L448 M449 R450 M503 L505 P553	L442-V446 WeakPolarHBondContact O-CG2 3.24Å; L442-V446 PolarHBondContact O-N 3.29Å; E443-V446 PolarHBondContact O-N 2.91Å; V446-L448 VanDerWaalsContact C-N 3.34Å; V446-L448 PolarHBondContact O-N 2.86Å; V446-M449 PolarHBondContact O-N 3.49Å; V446-R450 HydrophobicContact CG1-CG 4.43Å; V446-R450 WeakPolarHBondContact O-CB 3.44Å; V446-R450 VanDerWaalsContact O-CG 3.31Å; V446-R450 WeakPolarHBondContact O-CG 3.24Å; V446-R450 PolarHBondContact O-N 3.2Å; V446-M503 HydrophobicContact CB-CE 4.15Å; V446-M503 HydrophobicContact CG1-CE 3.88Å; V446-M503 HydrophobicContact CG2-CE 3.67Å; V446-M503 HydrophobicContact CG2-SD 4.38Å; V446-L505 HydrophobicContact CG2-CD2 4.02Å; V446-P553 HydrophobicContact CG1-CG 4.05Å
447	R	98.6	Very high	98.3	Very high	179 Å²	179	56.7 Å²	56.7	68%	0.675	28%	0.277	S	S	*	.	H	α-helix	trans	-61.3	-39.3	179.6	-174.4	178.7	-178.8	178.5	3.6	113.1	E443 M445 Y451	E443-R447 WeakPolarHBondContact O-CB 3.39Å; E443-R447 PolarHBondContact O-N 2.91Å; M445-R447 VanDerWaalsContact C-N 3.29Å; M445-R447 PolarHBondContact O-N 3.2Å; R447-Y451 PolarHBondContact O-N 3.09Å
448	L	98.8	Very high	98.3	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-71.4	-43.1	178.2	-178.5	59.1	0	0	0	111.2	L217 F432 N435 V439 S444 M445 V446 R450 Y451 I475	L217-L448 HydrophobicContact CD2-CD2 3.68Å; F432-L448 HydrophobicContact CD1-CD2 4.4Å; N435-L448 HydrophobicContact CB-CD1 3.57Å; N435-L448 HydrophobicContact CB-CD2 4.4Å; V439-L448 HydrophobicContact CG2-CB 3.96Å; V439-L448 HydrophobicContact CG2-CD2 3.47Å; V439-L448 VanDerWaalsContact CG2-CD2 3.47Å; V439-L448 HydrophobicContact CG2-CG 4.36Å; S444-L448 PolarHBondContact O-N 3.35Å; S444-L448 VanDerWaalsContact O-N 3.11Å; M445-L448 PolarHBondContact O-N 3.32Å; M445-L448 VanDerWaalsContact O-N 3.12Å; V446-L448 VanDerWaalsContact C-N 3.34Å; V446-L448 PolarHBondContact O-N 2.86Å; L448-R450 VanDerWaalsContact C-N 3.27Å; L448-R450 PolarHBondContact O-N 3.14Å; L448-Y451 WeakPolarHBondContact O-CB 3.2Å; L448-Y451 PolarHBondContact O-N 3.29Å; L448-Y451 VanDerWaalsContact O-N 3.09Å; L448-I475 HydrophobicContact CD1-CD1 3.39Å; L448-I475 HydrophobicContact CG-CD1 3.74Å; L448-I475 VanDerWaalsContact O-CD1 3.3Å; L448-I475 WeakPolarHBondContact O-CD1 3.37Å
449	M	98.8	Very high	98.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.5	-28.5	-178.6	-66.7	-60	-62	0	0	112	S215 L217 S230 D232 F432 M445 V446 Y451 I475 S476 M503	S215-M449 WeakPolarHBondContact O-CE 3.33Å; L217-M449 HydrophobicContact CB-CE 4.44Å; L217-M449 HydrophobicContact CB-SD 3.54Å; L217-M449 VanDerWaalsContact CB-SD 3.54Å; L217-M449 HydrophobicContact CD2-SD 4.35Å; S230-M449 WeakPolarHBondContact OG-CG 3.34Å; D232-M449 HydrophobicContact CB-CE 4.04Å; F432-M449 HydrophobicContact CE1-SD 3.91Å; F432-M449 HydrophobicContact CZ-SD 4.17Å; M445-M449 HydrophobicContact CG-CG 4.39Å; M445-M449 WeakPolarHBondContact O-CG 3.33Å; M445-M449 PolarHBondContact O-N 3.04Å; M445-M449 HydrophobicContact SD-CG 3.86Å; V446-M449 PolarHBondContact O-N 3.49Å; M449-Y451 VanDerWaalsContact C-N 3.31Å; M449-I475 HydrophobicContact CE-CG2 4.41Å; M449-I475 WeakPolarHBondContact O-CG2 3.45Å; M449-I475 HydrophobicContact SD-CG2 4.22Å; M449-S476 WeakPolarHBondContact O-CB 3.26Å; M449-M503 HydrophobicContact CB-CG 3.56Å
450	R	98.6	Very high	98.3	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.015	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.1	171.9	-68	-96.8	45.2	141.5	-1.9	114	D232 V446 L448 N452 S476 G500 M503 G521 T523 D525	D232-R450 IonicContact OD2-CZ 2.7Å; D232-R450 IonicContact OD2-NH2 3.88Å; V446-R450 HydrophobicContact CG1-CG 4.43Å; V446-R450 WeakPolarHBondContact O-CB 3.44Å; V446-R450 VanDerWaalsContact O-CG 3.31Å; V446-R450 WeakPolarHBondContact O-CG 3.24Å; V446-R450 PolarHBondContact O-N 3.2Å; L448-R450 VanDerWaalsContact C-N 3.27Å; L448-R450 PolarHBondContact O-N 3.14Å; R450-N452 PolarHBondContact O-N 3Å; R450-S476 PolarHBondContact NH2-OG 3.49Å; R450-G500 PolarHBondContact NH2-O 2.82Å; R450-M503 HydrophobicContact CG-CB 4.28Å; R450-G521 PolarHBondContact NH1-O 2.84Å; R450-G521 PolarHBondContact NH2-O 3.09Å; R450-T523 VanDerWaalsContact O-CB 3.25Å; R450-T523 WeakPolarHBondContact O-CB 3.47Å; R450-T523 PolarHBondContact O-OG1 2.8Å; R450-D525 WeakPolarHBondContact CB-OD2 3.33Å
451	Y	98.8	Very high	98.3	Very high	29 Å²	29	51.2 Å²	51.2	11%	0.114	26%	0.257	C	S	.	.			trans	-65.9	120.5	-169.8	179.5	-101.1	0	0	0	113.2	I431 R447 L448 M449 N453 D457 I475 S476 Q526	I431-Y451 HydrophobicContact CD1-CE1 4.31Å; I431-Y451 HydrophobicContact CG2-CD1 3.8Å; I431-Y451 HydrophobicContact CG2-CE1 3.88Å; R447-Y451 PolarHBondContact O-N 3.09Å; L448-Y451 WeakPolarHBondContact O-CB 3.2Å; L448-Y451 PolarHBondContact O-N 3.29Å; L448-Y451 VanDerWaalsContact O-N 3.09Å; M449-Y451 VanDerWaalsContact C-N 3.31Å; Y451-N453 HydrophobicContact CE2-CB 3.82Å; Y451-D457 VanDerWaalsContact CE1-OD2 3.3Å; Y451-D457 WeakPolarHBondContact CE1-OD2 3.48Å; Y451-D457 VanDerWaalsContact CZ-OD2 3.32Å; Y451-D457 WeakPolarHBondContact OH-CB 3.26Å; Y451-D457 VanDerWaalsContact OH-CG 3.29Å; Y451-D457 PolarHBondContact OH-OD2 3.41Å; Y451-I475 PolarHBondContact O-N 2.76Å; Y451-S476 PolarHBondContact O-N 2.95Å; Y451-Q526 VanDerWaalsContact CE2-OE1 3.32Å
452	N	98.7	Very high	98.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.			trans	-149.4	99.6	164.3	-167	-27.9	0	0	0	111.1	R450 F454 G471 A474 S476 R478 T523 Q526 V527	R450-N452 PolarHBondContact O-N 3Å; N452-F454 WeakPolarHBondContact OD1-CB 3.27Å; N452-F454 VanDerWaalsContact OD1-CD1 3.27Å; N452-F454 WeakPolarHBondContact OD1-CD1 3.42Å; N452-F454 PolarHBondContact OD1-N 3.06Å; N452-G471 PolarHBondContact ND2-O 2.85Å; N452-G471 VanDerWaalsContact ND2-O 3.08Å; N452-A474 HydrophobicContact CB-CB 3.74Å; N452-A474 WeakPolarHBondContact ND2-CB 3.28Å; N452-S476 VanDerWaalsContact CB-O 3.28Å; N452-S476 WeakPolarHBondContact CB-O 3.26Å; N452-S476 PolarHBondContact ND2-O 3.46Å; N452-R478 PolarHBondContact ND2-N 3.43Å; N452-T523 HydrophobicContact CB-CG2 3.57Å; N452-Q526 WeakPolarHBondContact O-CB 3.02Å; N452-V527 WeakPolarHBondContact O-CG1 3.02Å
453	N	98.1	Very high	97.9	Very high	46 Å²	46	52.2 Å²	52.2	25%	0.246	26%	0.264	C	S	.	.			trans	-115	39.1	175.8	-164.3	20.7	0	0	0	111.4	Y451 K455 A456 D457	Y451-N453 HydrophobicContact CE2-CB 3.82Å; N453-K455 PolarHBondContact O-N 3.28Å; N453-A456 PolarHBondContact O-N 2.7Å; N453-D457 HydrophobicContact CB-CB 4.44Å; N453-D457 PolarHBondContact O-N 3.36Å
454	F	98.4	Very high	97.6	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.039	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.7	-164.1	76.8	-80.2	0	0	0	115.3	N452 A456 S460 Q469 N470 G471 L481 V527	N452-F454 WeakPolarHBondContact OD1-CB 3.27Å; N452-F454 VanDerWaalsContact OD1-CD1 3.27Å; N452-F454 WeakPolarHBondContact OD1-CD1 3.42Å; N452-F454 PolarHBondContact OD1-N 3.06Å; F454-A456 VanDerWaalsContact C-N 3.31Å; F454-A456 PolarHBondContact O-N 2.77Å; F454-S460 VanDerWaalsContact CA-CB 3.45Å; F454-Q469 HydrophobicContact CD2-CB 4.05Å; F454-Q469 HydrophobicContact CE2-CB 4.48Å; F454-Q469 WeakPolarHBondContact O-CB 3.39Å; F454-N470 VanDerWaalsContact CB-O 3.32Å; F454-N470 WeakPolarHBondContact CB-O 3.45Å; F454-N470 VanDerWaalsContact CD2-C 3.46Å; F454-G471 VanDerWaalsContact CD2-N 3.34Å; F454-L481 HydrophobicContact CE1-CB 4.05Å; F454-L481 HydrophobicContact CE1-CD1 3.97Å; F454-L481 HydrophobicContact CZ-CB 3.84Å; F454-V527 HydrophobicContact CD1-CG1 4.08Å; F454-V527 HydrophobicContact CE1-CG1 3.95Å
455	K	97.6	Very high	97.5	Very high	139 Å²	139	47 Å²	47	60%	0.604	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.6	177.5	-66.7	-176.3	178.6	179.7	0	112.8	N453	N453-K455 PolarHBondContact O-N 3.28Å
456	A	97.9	Very high	97.4	Very high	73 Å²	73	52.2 Å²	52.2	60%	0.603	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-24.7	-173.3	0	0	0	0	0	114.1	N453 F454 P458	N453-A456 PolarHBondContact O-N 2.7Å; F454-A456 VanDerWaalsContact C-N 3.31Å; F454-A456 PolarHBondContact O-N 2.77Å; A456-P458 WeakPolarHBondContact O-CD 3.35Å
457	D	98.3	Very high	97.4	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.021	29%	0.29	C	S	.	.			trans	-72.9	119.9	179.7	-167.1	-18.1	0	0	0	110.9	R434 Y451 N453 L459 S460	R434-D457 IonicContact CZ-OD1 3.39Å; R434-D457 IonicContact CZ-OD2 3.08Å; R434-D457 IonicContact NH1-OD1 2.74Å; R434-D457 PolarHBondContact NH1-OD1 2.66Å; R434-D457 IonicContact NH1-OD2 3.9Å; R434-D457 PolarHBondContact NH1-OD2 3.32Å; R434-D457 IonicContact NH2-OD1 3.57Å; R434-D457 IonicContact NH2-OD2 2.73Å; R434-D457 PolarHBondContact NH2-OD2 3.28Å; Y451-D457 VanDerWaalsContact CE1-OD2 3.3Å; Y451-D457 WeakPolarHBondContact CE1-OD2 3.48Å; Y451-D457 VanDerWaalsContact CZ-OD2 3.32Å; Y451-D457 WeakPolarHBondContact OH-CB 3.26Å; Y451-D457 VanDerWaalsContact OH-CG 3.29Å; Y451-D457 PolarHBondContact OH-OD2 3.41Å; N453-D457 HydrophobicContact CB-CB 4.44Å; N453-D457 PolarHBondContact O-N 3.36Å; D457-L459 PolarHBondContact O-N 2.87Å; D457-L459 WeakPolarHBondContact OD1-CB 3.32Å; D457-L459 PolarHBondContact OD1-N 3.3Å; D457-S460 WeakPolarHBondContact O-CB 3.45Å; D457-S460 PolarHBondContact O-N 3.47Å
458	P	98	Very high	97.3	Very high	89 Å²	89	47.3 Å²	47.3	58%	0.578	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-61	-26.6	176.6	25.3	-35.5	0	0	0	113.3	A456 S460 K461	A456-P458 WeakPolarHBondContact O-CD 3.35Å; P458-S460 PolarHBondContact O-N 2.93Å; P458-K461 PolarHBondContact O-N 3.23Å
459	L	98.2	Very high	97.3	Very high	50 Å²	50	49.6 Å²	49.6	26%	0.262	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-72.7	-13.8	176.7	-64	-179.4	0	0	0	113.1	P427 Q430 I431 D457 K461	P427-L459 WeakPolarHBondContact CB-O 3.5Å; Q430-L459 HydrophobicContact CB-CD1 3.88Å; Q430-L459 HydrophobicContact CB-CD2 4.01Å; I431-L459 HydrophobicContact CB-CD1 4.5Å; I431-L459 HydrophobicContact CD1-CB 4.42Å; I431-L459 HydrophobicContact CG1-CB 3.9Å; I431-L459 HydrophobicContact CG1-CD1 3.77Å; D457-L459 PolarHBondContact O-N 2.87Å; D457-L459 WeakPolarHBondContact OD1-CB 3.32Å; D457-L459 PolarHBondContact OD1-N 3.3Å; L459-K461 VanDerWaalsContact C-N 3.31Å
460	S	98.1	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-88.5	-0	176.8	-59.9	0	0	0	0	113.4	F454 D457 P458 N470 N473	F454-S460 VanDerWaalsContact CA-CB 3.45Å; D457-S460 WeakPolarHBondContact O-CB 3.45Å; D457-S460 PolarHBondContact O-N 3.47Å; P458-S460 PolarHBondContact O-N 2.93Å; S460-N470 PolarHBondContact O-N 2.98Å; S460-N473 WeakPolarHBondContact CA-O 3.32Å; S460-N473 VanDerWaalsContact CB-O 3.3Å; S460-N473 WeakPolarHBondContact CB-O 3.48Å; S460-N473 WeakPolarHBondContact O-CB 3.28Å; S460-N473 PolarHBondContact O-ND2 3.12Å; S460-N473 PolarHBondContact OG-O 2.98Å
461	K	97.6	Very high	97.2	Very high	111 Å²	111	49.4 Å²	49.4	48%	0.483	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-73.6	139.4	175.5	-66.6	-177.9	178.8	-178.3	0	110.9	P458 L459 P468	P458-K461 PolarHBondContact O-N 3.23Å; L459-K461 VanDerWaalsContact C-N 3.31Å; K461-P468 CarbonylContact C-O 3.04Å; K461-P468 VanDerWaalsContact CA-O 3.27Å; K461-P468 WeakPolarHBondContact CA-O 3.49Å
462	C	94.4	Very high	97.2	Very high	10 Å²	10	48.1 Å²	48.1	7%	0.068	28%	0.279	C	S	.	.			trans	-107.6	128.4	175.3	156.3	0	0	0	0	109.6	C465 P468 N470	C462-C465 HydrophobicContact CB-CB 3.56Å; C462-C465 WeakPolarHBondContact CB-SG 3.46Å; C462-C465 PolarHBondContact O-N 3.02Å; C462-C465 WeakPolarHBondContact SG-CB 3.36Å; C462-C465 CovalentContact SG-SG 2.04Å; C462-C465 PolarHBondContact SG-SG 3.48Å; C462-P468 PolarHBondContact N-O 3.2Å; C462-N470 HydrophobicContact CB-CB 4.26Å
463	D	92.1	Very high	97.2	Very high	139 Å²	139	48.3 Å²	48.3	74%	0.743	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	130.4	170.3	-66.9	-27.4	0	0	0	110.3	C465	D463-C465 VanDerWaalsContact C-N 3.28Å; D463-C465 PolarHBondContact O-N 3.22Å
464	G	92.3	Very high	97.2	Very high	62 Å²	62	46.1 Å²	46.1	64%	0.639	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	8	-176.9	0	0	0	0	0	114.8
465	C	97.3	Very high	97.2	Very high	14 Å²	14	45.7 Å²	45.7	10%	0.095	27%	0.266	C	S	.	.			trans	-91.4	146.2	167.4	-69.1	0	0	0	0	112	C462 D463 P467 T487 P489	C462-C465 HydrophobicContact CB-CB 3.56Å; C462-C465 WeakPolarHBondContact CB-SG 3.46Å; C462-C465 PolarHBondContact O-N 3.02Å; C462-C465 WeakPolarHBondContact SG-CB 3.36Å; C462-C465 CovalentContact SG-SG 2.04Å; C462-C465 PolarHBondContact SG-SG 3.48Å; D463-C465 VanDerWaalsContact C-N 3.28Å; D463-C465 PolarHBondContact O-N 3.22Å; C465-P467 CarbonylContact C-O 3.47Å; C465-P467 WeakPolarHBondContact CB-O 3.34Å; C465-T487 VanDerWaalsContact CA-O 3.23Å; C465-T487 WeakPolarHBondContact CA-O 3.31Å; C465-P489 VanDerWaalsContact SG-CD 3.52Å
466	D	97.2	Very high	97.2	Very high	108 Å²	108	39 Å²	39	58%	0.578	24%	0.238	S	C	*	.	B	Isolated β-bridge	trans	-134.2	110.6	166.8	-173.9	15.8	0	0	0	109.7	G486 T487	D466-G486 CarbonylContact O-C 3.56Å; D466-G486 WeakPolarHBondContact O-CA 3.23Å; D466-T487 PolarHBondContact N-O 3.35Å; D466-T487 PolarHBondContact O-N 3.18Å
467	P	97.5	Very high	97.2	Very high	42 Å²	42	35.6 Å²	35.6	27%	0.273	21%	0.209	S	C	.	.	S	Bend	cis	-69.7	159.7	0.3	31	-36.4	0	0	0	113	C465 Q469 P483	C465-P467 CarbonylContact C-O 3.47Å; C465-P467 WeakPolarHBondContact CB-O 3.34Å; P467-Q469 VanDerWaalsContact C-N 3.35Å; P467-Q469 PolarHBondContact O-N 3.03Å; P467-P483 HydrophobicContact CG-CG 3.9Å
468	P	97.4	Very high	97.2	Very high	52 Å²	52	35.5 Å²	35.5	34%	0.338	21%	0.208	S	C	.	.	S	Bend	trans	-71	-27	-177.3	25.9	-33.2	0	0	0	113.5	K461 C462	K461-P468 CarbonylContact C-O 3.04Å; K461-P468 VanDerWaalsContact CA-O 3.27Å; K461-P468 WeakPolarHBondContact CA-O 3.49Å; C462-P468 PolarHBondContact N-O 3.2Å
469	Q	97.8	Very high	97.3	Very high	61 Å²	61	31.2 Å²	31.2	29%	0.285	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-70.3	129.4	177.3	-64.9	79.6	7.7	0	0	110.5	F454 P467	F454-Q469 HydrophobicContact CD2-CB 4.05Å; F454-Q469 HydrophobicContact CE2-CB 4.48Å; F454-Q469 WeakPolarHBondContact O-CB 3.39Å; P467-Q469 VanDerWaalsContact C-N 3.35Å; P467-Q469 PolarHBondContact O-N 3.03Å
470	N	98.3	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.			trans	-133.4	125.9	-178.2	-159.9	-68.8	0	0	0	113	F454 S460 C462 E472 N473 N482 Y488 L493	F454-N470 VanDerWaalsContact CB-O 3.32Å; F454-N470 WeakPolarHBondContact CB-O 3.45Å; F454-N470 VanDerWaalsContact CD2-C 3.46Å; S460-N470 PolarHBondContact O-N 2.98Å; C462-N470 HydrophobicContact CB-CB 4.26Å; N470-E472 PolarHBondContact O-N 3.37Å; N470-E472 WeakPolarHBondContact OD1-CB 3.49Å; N470-E472 PolarHBondContact OD1-N 3.26Å; N470-N473 PolarHBondContact O-N 2.95Å; N470-N473 VanDerWaalsContact O-N 3.1Å; N470-N482 PolarHBondContact OD1-ND2 2.74Å; N470-Y488 WeakPolarHBondContact ND2-CE1 3.4Å; N470-L493 PolarHBondContact ND2-O 3.1Å
471	G	97.8	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.4	-180	0	0	0	0	0	114.9	N452 F454 A477 R478 N482	N452-G471 PolarHBondContact ND2-O 2.85Å; N452-G471 VanDerWaalsContact ND2-O 3.08Å; F454-G471 VanDerWaalsContact CD2-N 3.34Å; G471-A477 CarbonylContact O-C 3.5Å; G471-A477 WeakPolarHBondContact O-CA 3.45Å; G471-R478 PolarHBondContact O-N 2.85Å; G471-N482 PolarHBondContact N-OD1 2.77Å
472	E	98.1	Very high	97.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.9	171.7	-169	77.7	-176.3	0	0	111.5	W234 W420 N470 A474 S479 A492 L493 R496	W234-E472 VanDerWaalsContact CH2-O 3.24Å; W234-E472 WeakPolarHBondContact CH2-O 3.33Å; W234-E472 HydrophobicContact CZ3-CG 4.32Å; W234-E472 WeakPolarHBondContact CZ3-OE1 3.37Å; W420-E472 HydrophobicContact CZ2-CG 4.36Å; N470-E472 PolarHBondContact O-N 3.37Å; N470-E472 WeakPolarHBondContact OD1-CB 3.49Å; N470-E472 PolarHBondContact OD1-N 3.26Å; E472-A474 PolarHBondContact O-N 2.58Å; E472-S479 PolarHBondContact OE2-OG 3.45Å; E472-A492 VanDerWaalsContact CD-O 3.31Å; E472-A492 HydrophobicContact CG-CB 4.5Å; E472-A492 VanDerWaalsContact OE2-O 3.08Å; E472-L493 HydrophobicContact CB-CD2 4.07Å; E472-L493 HydrophobicContact CG-CD2 4.3Å; E472-R496 IonicContact OE1-NH2 2.93Å; E472-R496 PolarHBondContact OE1-NH2 3.16Å; E472-R496 IonicContact OE2-CZ 3.95Å; E472-R496 IonicContact OE2-NH2 2.8Å; E472-R496 PolarHBondContact OE2-NH2 2.86Å
473	N	97.9	Very high	97.5	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	17%	0.17	C	C	.	.	S	Bend	trans	-85.5	57.5	-171.4	-65.6	-22.6	0	0	0	111.9	W420 P427 S460 N470	W420-N473 PolarHBondContact NE1-OD1 2.8Å; P427-N473 HydrophobicContact CB-CB 3.79Å; P427-N473 HydrophobicContact CG-CB 3.93Å; S460-N473 WeakPolarHBondContact CA-O 3.32Å; S460-N473 VanDerWaalsContact CB-O 3.3Å; S460-N473 WeakPolarHBondContact CB-O 3.48Å; S460-N473 WeakPolarHBondContact O-CB 3.28Å; S460-N473 PolarHBondContact O-ND2 3.12Å; S460-N473 PolarHBondContact OG-O 2.98Å; N470-N473 PolarHBondContact O-N 2.95Å; N470-N473 VanDerWaalsContact O-N 3.1Å
474	A	98.3	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-142.7	172.9	-178.5	0	0	0	0	0	110.4	W234 R428 N452 E472	W234-A474 WeakPolarHBondContact CH2-O 3.33Å; W234-A474 VanDerWaalsContact CZ2-O 3.24Å; W234-A474 WeakPolarHBondContact CZ2-O 3.48Å; R428-A474 WeakPolarHBondContact CD-O 3.21Å; R428-A474 WeakPolarHBondContact CG-O 3.48Å; N452-A474 HydrophobicContact CB-CB 3.74Å; N452-A474 WeakPolarHBondContact ND2-CB 3.28Å; E472-A474 PolarHBondContact O-N 2.58Å
475	I	98.6	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-71.7	-38.9	173.8	-69.3	170.1	0	0	0	110.3	S215 W234 I431 F432 L448 M449 Y451	S215-I475 WeakPolarHBondContact CB-O 3.43Å; S215-I475 PolarHBondContact OG-O 3.15Å; W234-I475 WeakPolarHBondContact CZ2-O 3.17Å; W234-I475 PolarHBondContact NE1-O 2.84Å; I431-I475 HydrophobicContact CG2-CD1 3.63Å; I431-I475 HydrophobicContact CG2-CG1 3.88Å; F432-I475 HydrophobicContact CD1-CD1 3.81Å; F432-I475 HydrophobicContact CD1-CG1 4.45Å; F432-I475 HydrophobicContact CE1-CD1 3.56Å; F432-I475 HydrophobicContact CE1-CG1 4.03Å; F432-I475 HydrophobicContact CE1-CG2 4.19Å; F432-I475 HydrophobicContact CE2-CG1 4.17Å; F432-I475 HydrophobicContact CG-CD1 4.38Å; F432-I475 HydrophobicContact CZ-CB 4.47Å; F432-I475 HydrophobicContact CZ-CD1 3.96Å; F432-I475 HydrophobicContact CZ-CG1 3.89Å; F432-I475 HydrophobicContact CZ-CG2 3.77Å; L448-I475 HydrophobicContact CD1-CD1 3.39Å; L448-I475 HydrophobicContact CG-CD1 3.74Å; L448-I475 VanDerWaalsContact O-CD1 3.3Å; L448-I475 WeakPolarHBondContact O-CD1 3.37Å; M449-I475 HydrophobicContact CE-CG2 4.41Å; M449-I475 WeakPolarHBondContact O-CG2 3.45Å; M449-I475 HydrophobicContact SD-CG2 4.22Å; Y451-I475 PolarHBondContact O-N 2.76Å
476	S	98.5	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-116.7	95.7	176.4	-161.8	0	0	0	0	109.6	D232 M449 R450 Y451 N452	D232-S476 PolarHBondContact OD1-OG 2.8Å; D232-S476 WeakPolarHBondContact OD2-CB 3.06Å; D232-S476 PolarHBondContact OD2-OG 2.93Å; M449-S476 WeakPolarHBondContact O-CB 3.26Å; R450-S476 PolarHBondContact NH2-OG 3.49Å; Y451-S476 PolarHBondContact O-N 2.95Å; N452-S476 VanDerWaalsContact CB-O 3.28Å; N452-S476 WeakPolarHBondContact CB-O 3.26Å; N452-S476 PolarHBondContact ND2-O 3.46Å
477	A	98.5	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.174	C	C	.	.			trans	-62.7	153.8	-170.8	0	0	0	0	0	113.4	W234 G471 G499 G500	W234-A477 HydrophobicContact CD2-CB 3.76Å; W234-A477 HydrophobicContact CE3-CB 3.7Å; W234-A477 HydrophobicContact CH2-CB 3.44Å; W234-A477 VanDerWaalsContact CH2-CB 3.44Å; W234-A477 HydrophobicContact CZ2-CB 3.46Å; W234-A477 VanDerWaalsContact CZ2-CB 3.46Å; W234-A477 HydrophobicContact CZ3-CB 3.55Å; G471-A477 CarbonylContact O-C 3.5Å; G471-A477 WeakPolarHBondContact O-CA 3.45Å; A477-G499 CarbonylContact O-C 3.6Å; A477-G499 WeakPolarHBondContact O-CA 3.42Å; A477-G500 PolarHBondContact O-N 2.98Å
478	R	98.4	Very high	97.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-138	65.9	173.5	-71.5	-62.2	-55	-86.2	-0.6	109.7	Y237 N452 G471 D480 L481 T523 V527 P528	Y237-R478 PolarHBondContact OH-NE 3.13Å; N452-R478 PolarHBondContact ND2-N 3.43Å; G471-R478 PolarHBondContact O-N 2.85Å; R478-D480 IonicContact CZ-OD1 3.9Å; R478-D480 IonicContact CZ-OD2 2.65Å; R478-D480 IonicContact NE-OD1 2.6Å; R478-D480 PolarHBondContact NE-OD1 2.86Å; R478-D480 IonicContact NE-OD2 3.05Å; R478-D480 IonicContact NH2-OD1 3.24Å; R478-D480 IonicContact NH2-OD2 3.79Å; R478-D480 PolarHBondContact NH2-OD2 3.06Å; R478-D480 PolarHBondContact O-N 3.23Å; R478-L481 HydrophobicContact CB-CB 4.45Å; R478-L481 HydrophobicContact CB-CD1 3.86Å; R478-L481 HydrophobicContact CB-CG 4.08Å; R478-L481 HydrophobicContact CG-CD1 4.28Å; R478-L481 PolarHBondContact O-N 3.49Å; R478-L481 VanDerWaalsContact O-N 3.12Å; R478-T523 HydrophobicContact CG-CG2 3.73Å; R478-T523 PolarHBondContact NH1-O 3.01Å; R478-V527 HydrophobicContact CG-CG2 4.17Å; R478-P528 PolarHBondContact NH1-O 3.38Å; R478-P528 PolarHBondContact NH2-O 3.37Å
479	S	98.2	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-64.3	-23.5	-176.6	-34.8	0	0	0	0	111.3	E472 L481 N482 Q495 R496 H498	E472-S479 PolarHBondContact OE2-OG 3.45Å; S479-L481 PolarHBondContact O-N 3.47Å; S479-N482 WeakPolarHBondContact O-CB 3.49Å; S479-N482 PolarHBondContact O-N 3.28Å; S479-Q495 WeakPolarHBondContact O-CA 3.3Å; S479-R496 CarbonylContact C-O 3.55Å; S479-R496 PolarHBondContact O-N 3.26Å; S479-H498 WeakPolarHBondContact CB-O 3.29Å; S479-H498 PolarHBondContact N-O 2.93Å; S479-H498 VanDerWaalsContact N-O 3.16Å; S479-H498 PolarHBondContact OG-O 2.93Å
480	D	98.3	Very high	97.7	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.059	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-61.4	-27.9	175.1	63.2	-66.6	0	0	0	113.4	Y237 R478 N482 Q495 R496 Y537	Y237-D480 HydrophobicContact CE2-CB 3.71Å; Y237-D480 WeakPolarHBondContact CE2-OD1 3.47Å; Y237-D480 PolarHBondContact OH-OD1 3.46Å; R478-D480 IonicContact CZ-OD1 3.9Å; R478-D480 IonicContact CZ-OD2 2.65Å; R478-D480 IonicContact NE-OD1 2.6Å; R478-D480 PolarHBondContact NE-OD1 2.86Å; R478-D480 IonicContact NE-OD2 3.05Å; R478-D480 IonicContact NH2-OD1 3.24Å; R478-D480 IonicContact NH2-OD2 3.79Å; R478-D480 PolarHBondContact NH2-OD2 3.06Å; R478-D480 PolarHBondContact O-N 3.23Å; D480-N482 VanDerWaalsContact C-N 3.32Å; D480-Q495 PolarHBondContact O-NE2 3.34Å; D480-R496 WeakPolarHBondContact CA-O 3.48Å; D480-R496 PolarHBondContact N-O 2.92Å; D480-Y537 HydrophobicContact CB-CE2 3.79Å
481	L	98.3	Very high	97.5	Very high	46 Å²	46	26.2 Å²	26.2	24%	0.241	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-85.3	-4	-179.1	-59.7	-177.7	0	0	0	113.5	F454 R478 S479 V527 P528	F454-L481 HydrophobicContact CE1-CB 4.05Å; F454-L481 HydrophobicContact CE1-CD1 3.97Å; F454-L481 HydrophobicContact CZ-CB 3.84Å; R478-L481 HydrophobicContact CB-CB 4.45Å; R478-L481 HydrophobicContact CB-CD1 3.86Å; R478-L481 HydrophobicContact CB-CG 4.08Å; R478-L481 HydrophobicContact CG-CD1 4.28Å; R478-L481 PolarHBondContact O-N 3.49Å; R478-L481 VanDerWaalsContact O-N 3.12Å; S479-L481 PolarHBondContact O-N 3.47Å; L481-V527 HydrophobicContact CD1-CB 3.76Å; L481-V527 HydrophobicContact CD1-CG1 4.04Å; L481-V527 HydrophobicContact CD1-CG2 4.32Å; L481-P528 HydrophobicContact CD1-CG 4.41Å; L481-P528 HydrophobicContact CD2-CG 4.17Å
482	N	98.3	Very high	97.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-72.3	140.1	171.9	-71.9	-27.7	0	0	0	110	N470 G471 S479 D480 A484 L493 Q495	N470-N482 PolarHBondContact OD1-ND2 2.74Å; G471-N482 PolarHBondContact N-OD1 2.77Å; S479-N482 WeakPolarHBondContact O-CB 3.49Å; S479-N482 PolarHBondContact O-N 3.28Å; D480-N482 VanDerWaalsContact C-N 3.32Å; N482-A484 PolarHBondContact O-N 3.46Å; N482-L493 PolarHBondContact ND2-O 2.99Å; N482-Q495 HydrophobicContact CB-CB 4.34Å; N482-Q495 VanDerWaalsContact O-CB 3.27Å; N482-Q495 WeakPolarHBondContact O-CB 3.44Å; N482-Q495 VanDerWaalsContact O-CD 3.23Å; N482-Q495 VanDerWaalsContact O-CG 3.32Å; N482-Q495 WeakPolarHBondContact O-CG 3.25Å; N482-Q495 PolarHBondContact O-NE2 2.62Å; N482-Q495 VanDerWaalsContact O-NE2 3.08Å
483	P	97.6	Very high	97.3	Very high	43 Å²	43	26.1 Å²	26.1	28%	0.279	16%	0.164	S	C	.	.			trans	-63	132.6	176.8	-25.1	34.6	0	0	0	113.7	P467 N485 G486 Y488	P467-P483 HydrophobicContact CG-CG 3.9Å; P483-N485 WeakPolarHBondContact CB-OD1 3Å; P483-N485 PolarHBondContact O-N 3.32Å; P483-G486 PolarHBondContact O-N 2.67Å; P483-G486 VanDerWaalsContact O-N 3.1Å; P483-Y488 VanDerWaalsContact CD-OH 3.31Å; P483-Y488 WeakPolarHBondContact CD-OH 2.98Å; P483-Y488 WeakPolarHBondContact O-CE2 3.43Å; P483-Y488 PolarHBondContact O-OH 2.73Å
484	A	96.4	Very high	97.3	Very high	77 Å²	77	31.1 Å²	31.1	64%	0.636	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-39.1	177	0	0	0	0	0	113.2	N482 G486 Q495	N482-A484 PolarHBondContact O-N 3.46Å; A484-G486 VanDerWaalsContact C-N 3.32Å; A484-Q495 VanDerWaalsContact CA-OE1 3.3Å
485	N	96.8	Very high	97.2	Very high	148 Å²	148	33.6 Å²	33.6	79%	0.791	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	9.8	-176.9	65.6	-19	0	0	0	113.5	P483	P483-N485 WeakPolarHBondContact CB-OD1 3Å; P483-N485 PolarHBondContact O-N 3.32Å
486	G	96.8	Very high	97.1	Very high	17 Å²	17	34.9 Å²	34.9	18%	0.175	20%	0.202	C	C	.	.			trans	-70.3	157.5	177.3	0	0	0	0	0	112.9	D466 P483 A484 Y488	D466-G486 CarbonylContact O-C 3.56Å; D466-G486 WeakPolarHBondContact O-CA 3.23Å; P483-G486 PolarHBondContact O-N 2.67Å; P483-G486 VanDerWaalsContact O-N 3.1Å; A484-G486 VanDerWaalsContact C-N 3.32Å; G486-Y488 VanDerWaalsContact C-CE2 3.44Å; G486-Y488 VanDerWaalsContact O-CD2 3.27Å; G486-Y488 WeakPolarHBondContact O-CD2 3.2Å; G486-Y488 VanDerWaalsContact O-CE2 3.27Å; G486-Y488 WeakPolarHBondContact O-CE2 3.34Å
487	T	97.7	Very high	97	Very high	89 Å²	89	36.2 Å²	36.2	55%	0.546	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-93.2	128	170.8	-61.5	0	0	0	0	109.1	C465 D466	C465-T487 VanDerWaalsContact CA-O 3.23Å; C465-T487 WeakPolarHBondContact CA-O 3.31Å; D466-T487 PolarHBondContact N-O 3.35Å; D466-T487 PolarHBondContact O-N 3.18Å
488	Y	97.3	Very high	97	Very high	28 Å²	28	37.1 Å²	37.1	11%	0.11	21%	0.214	C	C	.	.			trans	-135.3	130.8	-175.1	-55.6	-73.1	0	0	0	111.3	N470 P483 G486 F490 L493 K494	N470-Y488 WeakPolarHBondContact ND2-CE1 3.4Å; P483-Y488 VanDerWaalsContact CD-OH 3.31Å; P483-Y488 WeakPolarHBondContact CD-OH 2.98Å; P483-Y488 WeakPolarHBondContact O-CE2 3.43Å; P483-Y488 PolarHBondContact O-OH 2.73Å; G486-Y488 VanDerWaalsContact C-CE2 3.44Å; G486-Y488 VanDerWaalsContact O-CD2 3.27Å; G486-Y488 WeakPolarHBondContact O-CD2 3.2Å; G486-Y488 VanDerWaalsContact O-CE2 3.27Å; G486-Y488 WeakPolarHBondContact O-CE2 3.34Å; Y488-F490 VanDerWaalsContact C-N 3.3Å; Y488-F490 PolarHBondContact O-N 2.04Å; Y488-L493 HydrophobicContact CD1-CB 3.94Å; Y488-L493 WeakPolarHBondContact CD1-O 3.46Å; Y488-L493 WeakPolarHBondContact CE1-O 3.34Å; Y488-L493 HydrophobicContact CG-CB 4.37Å; Y488-K494 HydrophobicContact CD2-CB 4.15Å; Y488-K494 HydrophobicContact CD2-CG 3.69Å; Y488-K494 HydrophobicContact CG-CG 3.97Å
489	P	95.9	Very high	97	Very high	52 Å²	52	37 Å²	37	34%	0.338	21%	0.214	S	C	.	.	S	Bend	trans	-63.4	-28.9	-178.6	-25.8	34.3	0	0	0	115.1	Y417 C465 L493	Y417-P489 HydrophobicContact CD1-CB 4.45Å; C465-P489 VanDerWaalsContact SG-CD 3.52Å; P489-L493 HydrophobicContact CG-CD1 4.46Å
490	F	95.4	Very high	97	Very high	16 Å²	16	37 Å²	37	7%	0.07	21%	0.214	C	C	.	.	S	Bend	trans	-154.7	171	178.9	51.7	-92.3	0	0	0	111.7	L209 Y417 W420 F421 Y488 A492 L493	L209-F490 HydrophobicContact CD2-CB 4.05Å; L209-F490 HydrophobicContact CG-CB 4.42Å; Y417-F490 AromaticContact CD1-CD1 3.7Å; Y417-F490 HydrophobicContact CD1-CD1 3.7Å; Y417-F490 HydrophobicContact CD1-CE1 4.29Å; Y417-F490 HydrophobicContact CD2-CD1 4.5Å; Y417-F490 HydrophobicContact CE1-CB 4.35Å; Y417-F490 HydrophobicContact CE1-CD1 4.02Å; Y417-F490 AromaticContact CG-CD1 3.96Å; Y417-F490 HydrophobicContact CG-CD1 3.96Å; Y417-F490 HydrophobicContact CG-CE1 4.25Å; W420-F490 HydrophobicContact CB-CZ 4.4Å; W420-F490 HydrophobicContact CD2-CE2 4.02Å; W420-F490 AromaticContact CD2-CZ 3.52Å; W420-F490 HydrophobicContact CD2-CZ 3.52Å; W420-F490 AromaticContact CE2-CZ 3.89Å; W420-F490 AromaticContact CE3-CE2 3.98Å; W420-F490 HydrophobicContact CE3-CE2 3.98Å; W420-F490 AromaticContact CE3-CZ 3.74Å; W420-F490 HydrophobicContact CE3-CZ 3.74Å; W420-F490 AromaticContact CG-CZ 3.81Å; W420-F490 HydrophobicContact CG-CZ 3.81Å; W420-F490 HydrophobicContact CH2-CE2 4.25Å; W420-F490 HydrophobicContact CZ2-CE2 4.21Å; W420-F490 HydrophobicContact CZ2-CZ 4.46Å; W420-F490 HydrophobicContact CZ3-CE2 4.11Å; W420-F490 HydrophobicContact CZ3-CZ 4.34Å; F421-F490 HydrophobicContact CE2-CD1 4.15Å; F421-F490 AromaticContact CE2-CE1 3.74Å; F421-F490 HydrophobicContact CE2-CE1 3.74Å; F421-F490 HydrophobicContact CE2-CE2 4.19Å; F421-F490 AromaticContact CE2-CZ 3.76Å; F421-F490 HydrophobicContact CE2-CZ 3.76Å; F421-F490 HydrophobicContact CZ-CD1 4.49Å; F421-F490 HydrophobicContact CZ-CD2 4.21Å; F421-F490 HydrophobicContact CZ-CE1 4.28Å; F421-F490 AromaticContact CZ-CE2 3.94Å; F421-F490 HydrophobicContact CZ-CE2 3.94Å; F421-F490 HydrophobicContact CZ-CG 4.48Å; F421-F490 AromaticContact CZ-CZ 3.99Å; F421-F490 HydrophobicContact CZ-CZ 3.99Å; Y488-F490 VanDerWaalsContact C-N 3.3Å; Y488-F490 PolarHBondContact O-N 2.04Å; F490-A492 HydrophobicContact CD2-CB 4.01Å; F490-A492 HydrophobicContact CE2-CB 4Å; F490-A492 PolarHBondContact O-N 3.01Å; F490-L493 HydrophobicContact CD1-CD1 4.13Å; F490-L493 HydrophobicContact CD2-CD1 4.2Å; F490-L493 HydrophobicContact CD2-CG 4.12Å; F490-L493 HydrophobicContact CE1-CD1 3.59Å; F490-L493 HydrophobicContact CE1-CG 4.41Å; F490-L493 HydrophobicContact CE2-CD1 3.7Å; F490-L493 HydrophobicContact CE2-CD2 4.35Å; F490-L493 HydrophobicContact CE2-CG 3.6Å; F490-L493 HydrophobicContact CG-CD1 4.39Å; F490-L493 HydrophobicContact CZ-CD1 3.34Å; F490-L493 HydrophobicContact CZ-CD2 4.37Å; F490-L493 HydrophobicContact CZ-CG 3.75Å; F490-L493 PolarHBondContact O-N 3.37Å
491	G	93.8	Very high	97	Very high	15 Å²	15	36.6 Å²	36.6	16%	0.155	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-62.5	-38.3	-165.2	0	0	0	0	0	115.8	L493 K494	G491-L493 PolarHBondContact O-N 2.87Å; G491-K494 WeakPolarHBondContact O-CB 3.37Å; G491-K494 WeakPolarHBondContact O-CG 3.34Å; G491-K494 PolarHBondContact O-N 3.37Å; G491-K494 VanDerWaalsContact O-N 3.1Å
492	A	95.3	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59	-33.3	-177.5	0	0	0	0	0	114.2	L209 G210 E472 F490 K494 R496	L209-A492 WeakPolarHBondContact O-CB 3.28Å; L209-A492 PolarHBondContact O-N 2.67Å; G210-A492 WeakPolarHBondContact O-CB 3.5Å; E472-A492 VanDerWaalsContact CD-O 3.31Å; E472-A492 HydrophobicContact CG-CB 4.5Å; E472-A492 VanDerWaalsContact OE2-O 3.08Å; F490-A492 HydrophobicContact CD2-CB 4.01Å; F490-A492 HydrophobicContact CE2-CB 4Å; F490-A492 PolarHBondContact O-N 3.01Å; A492-K494 PolarHBondContact O-N 2.88Å; A492-R496 PolarHBondContact O-NE 3.22Å; A492-R496 PolarHBondContact O-NH2 2.84Å
493	L	97	Very high	97	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-78.7	-9	-176.6	-62.6	173.3	0	0	0	112.8	N470 E472 N482 Y488 P489 F490 G491	N470-L493 PolarHBondContact ND2-O 3.1Å; E472-L493 HydrophobicContact CB-CD2 4.07Å; E472-L493 HydrophobicContact CG-CD2 4.3Å; N482-L493 PolarHBondContact ND2-O 2.99Å; Y488-L493 HydrophobicContact CD1-CB 3.94Å; Y488-L493 WeakPolarHBondContact CD1-O 3.46Å; Y488-L493 WeakPolarHBondContact CE1-O 3.34Å; Y488-L493 HydrophobicContact CG-CB 4.37Å; P489-L493 HydrophobicContact CG-CD1 4.46Å; F490-L493 HydrophobicContact CD1-CD1 4.13Å; F490-L493 HydrophobicContact CD2-CD1 4.2Å; F490-L493 HydrophobicContact CD2-CG 4.12Å; F490-L493 HydrophobicContact CE1-CD1 3.59Å; F490-L493 HydrophobicContact CE1-CG 4.41Å; F490-L493 HydrophobicContact CE2-CD1 3.7Å; F490-L493 HydrophobicContact CE2-CD2 4.35Å; F490-L493 HydrophobicContact CE2-CG 3.6Å; F490-L493 HydrophobicContact CG-CD1 4.39Å; F490-L493 HydrophobicContact CZ-CD1 3.34Å; F490-L493 HydrophobicContact CZ-CD2 4.37Å; F490-L493 HydrophobicContact CZ-CG 3.75Å; F490-L493 PolarHBondContact O-N 3.37Å; G491-L493 PolarHBondContact O-N 2.87Å
494	K	97.1	Very high	97.1	Very high	108 Å²	108	32.3 Å²	32.3	47%	0.47	19%	0.187	S	C	.	.	S	Bend	trans	-74	168.6	-179.1	-62.1	-172.2	174.5	-172.7	0	112	Y488 G491 A492 R496	Y488-K494 HydrophobicContact CD2-CB 4.15Å; Y488-K494 HydrophobicContact CD2-CG 3.69Å; Y488-K494 HydrophobicContact CG-CG 3.97Å; G491-K494 WeakPolarHBondContact O-CB 3.37Å; G491-K494 WeakPolarHBondContact O-CG 3.34Å; G491-K494 PolarHBondContact O-N 3.37Å; G491-K494 VanDerWaalsContact O-N 3.1Å; A492-K494 PolarHBondContact O-N 2.88Å; K494-R496 PolarHBondContact O-N 2.88Å
495	Q	97.7	Very high	97.2	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.243	16%	0.156	C	C	.	.			trans	-64	122.9	166.5	-176.3	172.5	55.8	0	0	110.8	S479 D480 N482 A484 Y537	S479-Q495 WeakPolarHBondContact O-CA 3.3Å; D480-Q495 PolarHBondContact O-NE2 3.34Å; N482-Q495 HydrophobicContact CB-CB 4.34Å; N482-Q495 VanDerWaalsContact O-CB 3.27Å; N482-Q495 WeakPolarHBondContact O-CB 3.44Å; N482-Q495 VanDerWaalsContact O-CD 3.23Å; N482-Q495 VanDerWaalsContact O-CG 3.32Å; N482-Q495 WeakPolarHBondContact O-CG 3.25Å; N482-Q495 PolarHBondContact O-NE2 2.62Å; N482-Q495 VanDerWaalsContact O-NE2 3.08Å; A484-Q495 VanDerWaalsContact CA-OE1 3.3Å; Q495-Y537 WeakPolarHBondContact CG-OH 3.48Å
496	R	96.8	Very high	97.3	Very high	27 Å²	27	21.6 Å²	21.6	10%	0.102	12%	0.119	C	C	.	.			trans	-148	148	-177.8	-60.3	-177.9	-64.7	148.4	3.8	110.7	T208 S211 E472 S479 D480 A492 K494 H498 Y537	T208-R496 PolarHBondContact OG1-NH1 2.84Å; S211-R496 PolarHBondContact OG-NH1 3.34Å; E472-R496 IonicContact OE1-NH2 2.93Å; E472-R496 PolarHBondContact OE1-NH2 3.16Å; E472-R496 IonicContact OE2-CZ 3.95Å; E472-R496 IonicContact OE2-NH2 2.8Å; E472-R496 PolarHBondContact OE2-NH2 2.86Å; S479-R496 CarbonylContact C-O 3.55Å; S479-R496 PolarHBondContact O-N 3.26Å; D480-R496 WeakPolarHBondContact CA-O 3.48Å; D480-R496 PolarHBondContact N-O 2.92Å; A492-R496 PolarHBondContact O-NE 3.22Å; A492-R496 PolarHBondContact O-NH2 2.84Å; K494-R496 PolarHBondContact O-N 2.88Å; R496-H498 HydrophobicContact CB-CB 3.9Å; R496-H498 PolarHBondContact O-N 3.33Å; R496-Y537 WeakPolarHBondContact CA-OH 3.47Å; R496-Y537 PolarHBondContact N-OH 3.08Å; R496-Y537 VanDerWaalsContact N-OH 3.09Å; R496-Y537 PolarHBondContact O-OH 2.84Å
497	P	96.3	Very high	97.4	Very high	28 Å²	28	21 Å²	21	18%	0.182	11%	0.112	C	C	.	.	S	Bend	trans	-75.8	59	170.3	33.6	-34.5	0	0	0	109.5	T236 Y237 Y537 L540	T236-P497 CarbonylContact C-O 3.49Å; T236-P497 VanDerWaalsContact CA-O 3.26Å; T236-P497 WeakPolarHBondContact CA-O 3.49Å; Y237-P497 HydrophobicContact CD2-CB 4.39Å; Y237-P497 PolarHBondContact N-O 3.15Å; P497-Y537 HydrophobicContact CB-CD1 3.97Å; P497-Y537 HydrophobicContact CB-CD2 3.76Å; P497-Y537 HydrophobicContact CB-CE1 4.02Å; P497-Y537 HydrophobicContact CB-CE2 3.8Å; P497-Y537 HydrophobicContact CB-CG 3.83Å; P497-Y537 HydrophobicContact CG-CD1 4.16Å; P497-Y537 HydrophobicContact CG-CE1 4.06Å; P497-L540 HydrophobicContact CB-CD1 4.14Å; P497-L540 HydrophobicContact CG-CD1 3.97Å
498	H	97.5	Very high	97.4	Very high	18 Å²	18	19.4 Å²	19.4	8%	0.083	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.6	-169.5	-178	-82.2	0	0	0	109.6	N235 Y237 S479 R496	N235-H498 VanDerWaalsContact C-CD2 3.41Å; N235-H498 WeakPolarHBondContact O-CA 3.49Å; N235-H498 PolarHBondContact O-CD2 3Å; Y237-H498 VanDerWaalsContact CE1-C 3.47Å; Y237-H498 PolarHBondContact OH-O 3.23Å; S479-H498 WeakPolarHBondContact CB-O 3.29Å; S479-H498 PolarHBondContact N-O 2.93Å; S479-H498 VanDerWaalsContact N-O 3.16Å; S479-H498 PolarHBondContact OG-O 2.93Å; R496-H498 HydrophobicContact CB-CB 3.9Å; R496-H498 PolarHBondContact O-N 3.33Å
499	G	98	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-169.1	-179.8	0	0	0	0	0	111.3	W234 N235 A477 T501	W234-G499 CarbonylContact C-O 3.43Å; W234-G499 WeakPolarHBondContact CA-O 3.41Å; N235-G499 PolarHBondContact N-O 3.25Å; N235-G499 PolarHBondContact O-N 2.97Å; A477-G499 CarbonylContact O-C 3.6Å; A477-G499 WeakPolarHBondContact O-CA 3.42Å; G499-T501 PolarHBondContact O-N 3.3Å
500	G	98.5	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	106.7	175.3	0	0	0	0	0	111.5	D232 T233 W234 R450 A477 P522	D232-G500 VanDerWaalsContact OD1-CA 3.3Å; D232-G500 WeakPolarHBondContact OD1-CA 3.35Å; T233-G500 CarbonylContact O-C 3.37Å; T233-G500 VanDerWaalsContact O-CA 3.23Å; T233-G500 WeakPolarHBondContact O-CA 3.13Å; W234-G500 VanDerWaalsContact CD1-CA 3.49Å; R450-G500 PolarHBondContact NH2-O 2.82Å; A477-G500 PolarHBondContact O-N 2.98Å; G500-P522 VanDerWaalsContact O-CA 3.26Å; G500-P522 WeakPolarHBondContact O-CA 3.47Å
501	T	98.5	Very high	97.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	11%	0.107	C	C	.	.			trans	-94.9	-6.6	-172.6	54.9	0	0	0	0	114.2	T233 N235 Y237 M240 G499 G521	T233-T501 PolarHBondContact O-N 3.28Å; T233-T501 PolarHBondContact O-OG1 3Å; N235-T501 HydrophobicContact CB-CG2 4.16Å; Y237-T501 HydrophobicContact CD1-CG2 3.84Å; Y237-T501 HydrophobicContact CE1-CG2 4.18Å; M240-T501 HydrophobicContact CG-CG2 3.85Å; M240-T501 HydrophobicContact SD-CG2 3.94Å; G499-T501 PolarHBondContact O-N 3.3Å; T501-G521 CarbonylContact C-O 3.55Å; T501-G521 CarbonylContact O-C 3.5Å; T501-G521 VanDerWaalsContact O-CA 3.25Å; T501-G521 WeakPolarHBondContact O-CA 3.46Å; T501-G521 PolarHBondContact O-N 2.8Å
502	D	98.6	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	176.9	171.8	62.6	51.3	0	0	0	111.9	W68 D232 T233 R242 D279 K504 V519	W68-D502 HydrophobicContact CH2-CB 3.87Å; W68-D502 HydrophobicContact CZ2-CB 3.88Å; D232-D502 WeakPolarHBondContact CA-O 3.13Å; T233-D502 WeakPolarHBondContact CB-OD1 3.42Å; T233-D502 VanDerWaalsContact CB-OD2 3.23Å; T233-D502 WeakPolarHBondContact CB-OD2 3.38Å; T233-D502 PolarHBondContact N-OD1 3.21Å; T233-D502 PolarHBondContact OG1-OD1 2.95Å; T233-D502 PolarHBondContact OG1-OD2 2.84Å; R242-D502 IonicContact CZ-OD2 2.83Å; R242-D502 IonicContact NH1-OD2 3.78Å; R242-D502 PolarHBondContact NH1-OD2 3.05Å; R242-D502 IonicContact NH2-OD2 3.76Å; R242-D502 PolarHBondContact NH2-OD2 3.49Å; D279-D502 VanDerWaalsContact OD2-OD2 3.04Å; D502-K504 HydrophobicContact CB-CD 4.32Å; D502-K504 VanDerWaalsContact OD1-CD 3.23Å; D502-K504 WeakPolarHBondContact OD1-CD 3.17Å; D502-K504 IonicContact OD1-NZ 2.8Å; D502-K504 PolarHBondContact OD1-NZ 3.26Å; D502-K504 VanDerWaalsContact OD1-NZ 3.13Å; D502-K504 IonicContact OD2-NZ 2.93Å; D502-V519 CarbonylContact C-O 3.53Å; D502-V519 WeakPolarHBondContact CA-O 3.32Å; D502-V519 WeakPolarHBondContact CB-O 3.06Å
503	M	98.5	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.9	156.8	175.5	-74	-48.6	0	0	108.7	H231 V446 M449 R450 L505 A518 V519	H231-M503 CarbonylContact O-C 3.52Å; H231-M503 WeakPolarHBondContact O-CA 3.23Å; V446-M503 HydrophobicContact CB-CE 4.15Å; V446-M503 HydrophobicContact CG1-CE 3.88Å; V446-M503 HydrophobicContact CG2-CE 3.67Å; V446-M503 HydrophobicContact CG2-SD 4.38Å; M449-M503 HydrophobicContact CB-CG 3.56Å; R450-M503 HydrophobicContact CG-CB 4.28Å; M503-L505 HydrophobicContact SD-CB 3.89Å; M503-A518 CarbonylContact O-C 3.53Å; M503-A518 VanDerWaalsContact O-CA 3.26Å; M503-A518 WeakPolarHBondContact O-CA 3.12Å; M503-V519 HydrophobicContact CE-CB 4.11Å; M503-V519 HydrophobicContact CE-CG2 3.46Å; M503-V519 VanDerWaalsContact CE-CG2 3.46Å; M503-V519 PolarHBondContact N-O 3.44Å; M503-V519 PolarHBondContact O-N 2.99Å
504	K	98.8	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145	172.5	-57.1	87.6	58.6	170.4	0	110.2	S230 H231 T233 M244 S269 D279 F281 D502 M516 L517	S230-K504 CarbonylContact C-O 3.51Å; S230-K504 WeakPolarHBondContact CA-O 3.46Å; S230-K504 WeakPolarHBondContact CB-O 3.34Å; S230-K504 PolarHBondContact OG-O 2.95Å; H231-K504 PolarHBondContact N-O 3.39Å; H231-K504 PolarHBondContact ND1-NZ 3.4Å; H231-K504 PolarHBondContact O-N 2.95Å; T233-K504 PolarHBondContact OG1-NZ 2.73Å; M244-K504 HydrophobicContact CE-CG 4.13Å; S269-K504 WeakPolarHBondContact OG-CD 3.14Å; S269-K504 WeakPolarHBondContact OG-CE 3.16Å; S269-K504 PolarHBondContact OG-NZ 2.92Å; D279-K504 VanDerWaalsContact CB-NZ 3.33Å; D279-K504 IonicContact OD2-NZ 3.64Å; D279-K504 PolarHBondContact OD2-NZ 3.49Å; F281-K504 VanDerWaalsContact CB-CE 3.43Å; F281-K504 HydrophobicContact CD1-CB 3.85Å; F281-K504 HydrophobicContact CD1-CG 4.35Å; F281-K504 HydrophobicContact CD2-CB 4.39Å; F281-K504 HydrophobicContact CE1-CB 3.94Å; F281-K504 HydrophobicContact CE2-CB 4.44Å; F281-K504 HydrophobicContact CG-CB 4.09Å; F281-K504 HydrophobicContact CZ-CB 4.23Å; D502-K504 HydrophobicContact CB-CD 4.32Å; D502-K504 VanDerWaalsContact OD1-CD 3.23Å; D502-K504 WeakPolarHBondContact OD1-CD 3.17Å; D502-K504 IonicContact OD1-NZ 2.8Å; D502-K504 PolarHBondContact OD1-NZ 3.26Å; D502-K504 VanDerWaalsContact OD1-NZ 3.13Å; D502-K504 IonicContact OD2-NZ 2.93Å; K504-M516 HydrophobicContact CB-SD 4.42Å; K504-M516 HydrophobicContact CG-SD 4.32Å; K504-L517 CarbonylContact C-O 3.53Å; K504-L517 WeakPolarHBondContact CA-O 3.37Å
505	L	98.8	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	128.7	-179.1	165	61.5	0	0	0	110.3	L228 V229 L442 M445 V446 M503 M516 L517	L228-L505 HydrophobicContact CB-CD1 3.99Å; V229-L505 WeakPolarHBondContact O-CA 3.35Å; L442-L505 HydrophobicContact CB-CD2 4.28Å; L442-L505 HydrophobicContact CD2-CD1 4.49Å; L442-L505 HydrophobicContact CD2-CD2 3.8Å; L442-L505 HydrophobicContact CD2-CG 4.18Å; M445-L505 HydrophobicContact CB-CD2 3.91Å; M445-L505 HydrophobicContact CG-CD1 3.78Å; M445-L505 HydrophobicContact CG-CD2 3.75Å; M445-L505 HydrophobicContact CG-CG 4.35Å; V446-L505 HydrophobicContact CG2-CD2 4.02Å; M503-L505 HydrophobicContact SD-CB 3.89Å; L505-M516 CarbonylContact O-C 3.45Å; L505-M516 VanDerWaalsContact O-CA 3.32Å; L505-M516 WeakPolarHBondContact O-CA 3.49Å; L505-M516 WeakPolarHBondContact O-CB 3.11Å; L505-L517 HydrophobicContact CB-CB 4.25Å; L505-L517 HydrophobicContact CD2-CD1 4.13Å; L505-L517 PolarHBondContact N-O 3.27Å; L505-L517 PolarHBondContact O-N 3.09Å
506	T	98.8	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	163	166	-158.8	0	0	0	0	111.6	V229 F281 I283 V289 Y352 M510 F511 G515	V229-T506 HydrophobicContact CB-CG2 4.29Å; V229-T506 PolarHBondContact N-O 3.18Å; V229-T506 PolarHBondContact O-N 2.87Å; F281-T506 HydrophobicContact CZ-CG2 3.99Å; I283-T506 HydrophobicContact CD1-CG2 4.14Å; I283-T506 HydrophobicContact CG1-CG2 4.3Å; V289-T506 HydrophobicContact CG1-CG2 4.33Å; V289-T506 HydrophobicContact CG2-CG2 4.07Å; Y352-T506 HydrophobicContact CE2-CG2 4.26Å; T506-M510 WeakPolarHBondContact OG1-CB 3.35Å; T506-F511 PolarHBondContact OG1-N 3.23Å; T506-G515 PolarHBondContact OG1-O 3.28Å
507	S	98.5	Very high	97.8	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.028	13%	0.134	C	C	.	.			trans	-133.2	175.6	-179.6	57.6	0	0	0	0	108.8	D226 E509 M510 F511	D226-S507 VanDerWaalsContact OD2-CB 3.3Å; D226-S507 WeakPolarHBondContact OD2-CB 3.13Å; S507-E509 VanDerWaalsContact C-N 3.31Å; S507-E509 PolarHBondContact O-N 3.08Å; S507-M510 PolarHBondContact O-N 3.12Å; S507-M510 WeakPolarHBondContact OG-CB 3.47Å; S507-M510 WeakPolarHBondContact OG-CE 3.28Å; S507-M510 WeakPolarHBondContact OG-CG 3.27Å; S507-M510 PolarHBondContact OG-N 3.08Å; S507-F511 WeakPolarHBondContact O-CB 3.38Å; S507-F511 PolarHBondContact O-N 3.24Å
508	Y	97.7	Very high	97.9	Very high	57 Å²	57	29 Å²	29	22%	0.224	13%	0.126	C	C	.	.	H	α-helix	trans	-55.8	-43.8	175.4	-176.5	-101.6	0	0	0	113.2	D226 Y352 F355 P357 R512	D226-Y508 VanDerWaalsContact OD1-CB 3.27Å; D226-Y508 WeakPolarHBondContact OD1-CB 3.38Å; D226-Y508 PolarHBondContact OD1-N 3.01Å; Y352-Y508 AromaticContact CD1-CD2 3.89Å; Y352-Y508 HydrophobicContact CD1-CD2 3.89Å; Y352-Y508 HydrophobicContact CE1-CD2 4.46Å; F355-Y508 AromaticContact CD1-CD2 3.72Å; F355-Y508 HydrophobicContact CD1-CD2 3.72Å; F355-Y508 HydrophobicContact CD1-CE2 4.38Å; F355-Y508 HydrophobicContact CD1-CG 4.26Å; F355-Y508 HydrophobicContact CE1-CD2 4.36Å; F355-Y508 HydrophobicContact CE1-CG 4.46Å; F355-Y508 WeakPolarHBondContact O-CE2 3.34Å; P357-Y508 VanDerWaalsContact CD-CD1 3.49Å; P357-Y508 VanDerWaalsContact CD-CE1 3.45Å; P357-Y508 HydrophobicContact CG-CD1 3.33Å; P357-Y508 HydrophobicContact CG-CD2 4.4Å; P357-Y508 HydrophobicContact CG-CE1 3.78Å; P357-Y508 HydrophobicContact CG-CG 3.66Å; Y508-R512 WeakPolarHBondContact O-CG 3.33Å
509	E	96.3	Very high	97.9	Very high	132 Å²	132	28.3 Å²	28.3	62%	0.617	12%	0.123	S	C	*	.	H	α-helix	trans	-70.4	-47.4	-179.8	-173.1	179.7	-178.9	0	0	111.4	S507 F511 R512	S507-E509 VanDerWaalsContact C-N 3.31Å; S507-E509 PolarHBondContact O-N 3.08Å; E509-F511 PolarHBondContact O-N 3.22Å; E509-R512 PolarHBondContact O-N 2.96Å
510	M	97.4	Very high	97.9	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.049	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-39.2	-178.8	-71.3	-168.9	-76.6	0	0	112.4	L442 T506 S507 R512 E513 Y514 G515 L517	L442-M510 HydrophobicContact CD1-CE 4.16Å; L442-M510 HydrophobicContact CD2-CE 3.78Å; T506-M510 WeakPolarHBondContact OG1-CB 3.35Å; S507-M510 PolarHBondContact O-N 3.12Å; S507-M510 WeakPolarHBondContact OG-CB 3.47Å; S507-M510 WeakPolarHBondContact OG-CE 3.28Å; S507-M510 WeakPolarHBondContact OG-CG 3.27Å; S507-M510 PolarHBondContact OG-N 3.08Å; M510-R512 PolarHBondContact O-N 3.15Å; M510-E513 CarbonylContact O-C 3.57Å; M510-E513 PolarHBondContact O-N 3.2Å; M510-E513 VanDerWaalsContact O-N 3.09Å; M510-Y514 PolarHBondContact O-N 3.01Å; M510-G515 WeakPolarHBondContact CB-O 3.45Å; M510-G515 PolarHBondContact O-N 3.08Å; M510-L517 HydrophobicContact CE-CD1 4.25Å; M510-L517 HydrophobicContact CE-CG 4.11Å; M510-L517 HydrophobicContact SD-CG 4.01Å
511	F	96.7	Very high	97.9	Very high	19 Å²	19	28.4 Å²	28.4	8%	0.083	12%	0.124	C	C	.	.	H	α-helix	trans	-53.5	-42.8	178.2	165.8	-97.5	0	0	0	112	I283 L284 G287 V289 Y352 T506 S507 E509 E513 Y514	I283-F511 HydrophobicContact CB-CD2 4.43Å; I283-F511 HydrophobicContact CG2-CD2 3.4Å; I283-F511 HydrophobicContact CG2-CE2 3.61Å; I283-F511 HydrophobicContact CG2-CG 4.35Å; L284-F511 WeakPolarHBondContact O-CZ 3.32Å; G287-F511 WeakPolarHBondContact O-CZ 3.12Å; V289-F511 HydrophobicContact CG2-CD2 3.36Å; V289-F511 HydrophobicContact CG2-CE2 3.75Å; V289-F511 HydrophobicContact CG2-CG 4.41Å; Y352-F511 HydrophobicContact CD2-CB 3.93Å; Y352-F511 AromaticContact CD2-CD1 3.82Å; Y352-F511 HydrophobicContact CD2-CD1 3.82Å; Y352-F511 AromaticContact CD2-CD2 3.55Å; Y352-F511 HydrophobicContact CD2-CD2 3.55Å; Y352-F511 HydrophobicContact CD2-CE1 4.35Å; Y352-F511 HydrophobicContact CD2-CE2 4.1Å; Y352-F511 AromaticContact CD2-CG 3.44Å; Y352-F511 HydrophobicContact CD2-CG 3.44Å; Y352-F511 VanDerWaalsContact CD2-CG 3.44Å; Y352-F511 HydrophobicContact CE2-CB 3.96Å; Y352-F511 HydrophobicContact CE2-CD2 4.02Å; Y352-F511 AromaticContact CE2-CG 3.94Å; Y352-F511 HydrophobicContact CE2-CG 3.94Å; Y352-F511 HydrophobicContact CG-CB 4.44Å; Y352-F511 AromaticContact CG-CD1 3.89Å; Y352-F511 HydrophobicContact CG-CD1 3.89Å; Y352-F511 HydrophobicContact CG-CD2 4.43Å; Y352-F511 HydrophobicContact CG-CE1 4.39Å; Y352-F511 AromaticContact CG-CG 3.96Å; Y352-F511 HydrophobicContact CG-CG 3.96Å; T506-F511 PolarHBondContact OG1-N 3.23Å; S507-F511 WeakPolarHBondContact O-CB 3.38Å; S507-F511 PolarHBondContact O-N 3.24Å; E509-F511 PolarHBondContact O-N 3.22Å; F511-E513 PolarHBondContact O-N 3.47Å; F511-Y514 PolarHBondContact O-N 3.08Å
512	R	96.1	Very high	98	Very high	173 Å²	173	28.4 Å²	28.4	65%	0.653	12%	0.124	S	C	*	.	H	α-helix	trans	-64.7	-26.5	-178.2	-67.9	178.8	64.7	-158.9	-3	113.7	Y508 E509 M510	Y508-R512 WeakPolarHBondContact O-CG 3.33Å; E509-R512 PolarHBondContact O-N 2.96Å; M510-R512 PolarHBondContact O-N 3.15Å
513	E	96.1	Very high	98	Very high	109 Å²	109	28.4 Å²	28.4	51%	0.509	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	9.1	177.7	-61.1	-175.8	165.3	0	0	112.1	M510 F511 G515	M510-E513 CarbonylContact O-C 3.57Å; M510-E513 PolarHBondContact O-N 3.2Å; M510-E513 VanDerWaalsContact O-N 3.09Å; F511-E513 PolarHBondContact O-N 3.47Å; E513-G515 PolarHBondContact O-N 3.2Å; E513-G515 VanDerWaalsContact O-N 3.1Å
514	Y	97.9	Very high	98	Very high	52 Å²	52	32.6 Å²	32.6	20%	0.204	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	16.1	-171.3	-49.7	-82.2	0	0	0	113.5	I265 A267 I283 M510 F511 W558	I265-Y514 HydrophobicContact CB-CD1 4.46Å; I265-Y514 HydrophobicContact CB-CE1 3.84Å; I265-Y514 HydrophobicContact CD1-CE2 4.13Å; I265-Y514 HydrophobicContact CG2-CD1 3.82Å; I265-Y514 HydrophobicContact CG2-CD2 4.21Å; I265-Y514 HydrophobicContact CG2-CE1 3.66Å; I265-Y514 HydrophobicContact CG2-CE2 4.04Å; I265-Y514 HydrophobicContact CG2-CG 4.12Å; A267-Y514 WeakPolarHBondContact CB-O 3.2Å; I283-Y514 HydrophobicContact CG2-CD1 3.98Å; M510-Y514 PolarHBondContact O-N 3.01Å; F511-Y514 PolarHBondContact O-N 3.08Å; Y514-W558 PolarHBondContact O-NE1 2.57Å
515	G	97.4	Very high	97.9	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	16%	0.159	C	C	.	.			trans	-83.7	162.4	-176.2	0	0	0	0	0	113	I283 T506 M510 E513 V556	I283-G515 WeakPolarHBondContact CD1-O 3.27Å; T506-G515 PolarHBondContact OG1-O 3.28Å; M510-G515 WeakPolarHBondContact CB-O 3.45Å; M510-G515 PolarHBondContact O-N 3.08Å; E513-G515 PolarHBondContact O-N 3.2Å; E513-G515 VanDerWaalsContact O-N 3.1Å; G515-V556 VanDerWaalsContact CA-O 3.31Å; G515-V556 WeakPolarHBondContact CA-O 3.23Å
516	M	98.1	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	157	174.2	61.4	-170.5	82.1	0	0	110.9	M244 A267 F281 I283 K504 L505 V556	M244-M516 HydrophobicContact CE-SD 3.95Å; M244-M516 HydrophobicContact SD-SD 3.94Å; A267-M516 HydrophobicContact CB-CE 4.38Å; F281-M516 HydrophobicContact CD1-CE 4.45Å; F281-M516 HydrophobicContact CD1-SD 4.22Å; F281-M516 HydrophobicContact CE1-CB 4.48Å; F281-M516 HydrophobicContact CE1-CE 4.26Å; F281-M516 HydrophobicContact CE1-SD 4.03Å; I283-M516 HydrophobicContact CD1-CB 4.35Å; I283-M516 HydrophobicContact CD1-CE 3.92Å; K504-M516 HydrophobicContact CB-SD 4.42Å; K504-M516 HydrophobicContact CG-SD 4.32Å; L505-M516 CarbonylContact O-C 3.45Å; L505-M516 VanDerWaalsContact O-CA 3.32Å; L505-M516 WeakPolarHBondContact O-CA 3.49Å; L505-M516 WeakPolarHBondContact O-CB 3.11Å; M516-V556 HydrophobicContact CG-CB 3.89Å; M516-V556 HydrophobicContact CG-CG2 3.87Å; M516-V556 PolarHBondContact N-O 3.12Å; M516-V556 WeakPolarHBondContact O-CB 3.05Å; M516-V556 PolarHBondContact O-N 3.31Å
517	L	98.5	Very high	97.8	Very high	30 Å²	30	40.6 Å²	40.6	16%	0.157	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137.6	159.8	-72.6	172.3	0	0	0	108.9	L442 K504 L505 M510 I554 K555	L442-L517 HydrophobicContact CB-CD1 3.94Å; L442-L517 HydrophobicContact CD1-CD1 4.04Å; L442-L517 HydrophobicContact CD2-CD1 4.42Å; L442-L517 HydrophobicContact CG-CD1 4.36Å; K504-L517 CarbonylContact C-O 3.53Å; K504-L517 WeakPolarHBondContact CA-O 3.37Å; L505-L517 HydrophobicContact CB-CB 4.25Å; L505-L517 HydrophobicContact CD2-CD1 4.13Å; L505-L517 PolarHBondContact N-O 3.27Å; L505-L517 PolarHBondContact O-N 3.09Å; M510-L517 HydrophobicContact CE-CD1 4.25Å; M510-L517 HydrophobicContact CE-CG 4.11Å; M510-L517 HydrophobicContact SD-CG 4.01Å; L517-I554 CarbonylContact C-O 3.51Å; L517-I554 WeakPolarHBondContact CA-O 3.27Å; L517-K555 HydrophobicContact CD2-CB 4.03Å; L517-K555 HydrophobicContact CD2-CG 4.4Å
518	A	98.5	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.6	-179.4	0	0	0	0	0	112.5	W68 M244 M503 P553 I554 V556	W68-A518 HydrophobicContact CZ2-CB 4.21Å; M244-A518 HydrophobicContact CE-CB 3.27Å; M503-A518 CarbonylContact O-C 3.53Å; M503-A518 VanDerWaalsContact O-CA 3.26Å; M503-A518 WeakPolarHBondContact O-CA 3.12Å; A518-P553 CarbonylContact O-C 3.46Å; A518-P553 WeakPolarHBondContact O-CA 3.15Å; A518-I554 HydrophobicContact CB-CG1 4.28Å; A518-I554 PolarHBondContact N-O 3.43Å; A518-I554 WeakPolarHBondContact O-CG1 3.27Å; A518-I554 PolarHBondContact O-N 2.88Å; A518-V556 HydrophobicContact CB-CG2 4.01Å
519	V	98.6	Very high	97.8	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.4	172	179.8	0	0	0	0	107.5	D502 M503 P553	D502-V519 CarbonylContact C-O 3.53Å; D502-V519 WeakPolarHBondContact CA-O 3.32Å; D502-V519 WeakPolarHBondContact CB-O 3.06Å; M503-V519 HydrophobicContact CE-CB 4.11Å; M503-V519 HydrophobicContact CE-CG2 3.46Å; M503-V519 VanDerWaalsContact CE-CG2 3.46Å; M503-V519 PolarHBondContact N-O 3.44Å; M503-V519 PolarHBondContact O-N 2.99Å; V519-P553 HydrophobicContact CG2-CB 3.68Å; V519-P553 HydrophobicContact CG2-CG 3.58Å
520	S	98.7	Very high	98	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	140.4	175	-160.3	0	0	0	0	111.2	G67	G67-S520 VanDerWaalsContact O-CB 3.3Å; G67-S520 WeakPolarHBondContact O-CB 2.98Å; G67-S520 PolarHBondContact O-OG 2.62Å
521	G	98.5	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	96.1	177.4	171.2	0	0	0	0	0	115.8	R450 T501	R450-G521 PolarHBondContact NH1-O 2.84Å; R450-G521 PolarHBondContact NH2-O 3.09Å; T501-G521 CarbonylContact C-O 3.55Å; T501-G521 CarbonylContact O-C 3.5Å; T501-G521 VanDerWaalsContact O-CA 3.25Å; T501-G521 WeakPolarHBondContact O-CA 3.46Å; T501-G521 PolarHBondContact O-N 2.8Å
522	P	98.7	Very high	98.1	Very high	2 Å²	2	39 Å²	39	1%	0.013	19%	0.186	C	C	.	.	S	Bend	trans	-64.5	150	177.6	-21.8	37.1	0	0	0	113.1	Y237 M240 G500 F530	Y237-P522 HydrophobicContact CD1-CG 4.19Å; Y237-P522 HydrophobicContact CE1-CB 4.38Å; Y237-P522 HydrophobicContact CE1-CG 3.73Å; Y237-P522 HydrophobicContact CE2-CG 4.24Å; M240-P522 HydrophobicContact CE-CG 4.46Å; M240-P522 HydrophobicContact SD-CG 3.97Å; G500-P522 VanDerWaalsContact O-CA 3.26Å; G500-P522 WeakPolarHBondContact O-CA 3.47Å; P522-F530 HydrophobicContact CB-CB 4Å; P522-F530 HydrophobicContact CG-CB 3.75Å; P522-F530 HydrophobicContact CG-CD1 4.33Å; P522-F530 HydrophobicContact CG-CG 4.11Å
523	T	98.7	Very high	98.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.			trans	-66.2	141.2	-176.6	-178.6	0	0	0	0	109.3	R450 N452 R478 V527	R450-T523 VanDerWaalsContact O-CB 3.25Å; R450-T523 WeakPolarHBondContact O-CB 3.47Å; R450-T523 PolarHBondContact O-OG1 2.8Å; N452-T523 HydrophobicContact CB-CG2 3.57Å; R478-T523 HydrophobicContact CG-CG2 3.73Å; R478-T523 PolarHBondContact NH1-O 3.01Å; T523-V527 HydrophobicContact CG2-CG2 3.98Å; T523-V527 WeakPolarHBondContact O-CG2 3.23Å
524	W	98.4	Very high	98.3	Very high	87 Å²	87	33.6 Å²	33.6	33%	0.33	18%	0.182	S	C	.	.			trans	-133.3	12	177.2	62.2	-88.7	0	0	0	112.5	Q526 V527 P529 F551 K552	W524-Q526 VanDerWaalsContact C-N 3.3Å; W524-Q526 PolarHBondContact O-N 2.98Å; W524-V527 CarbonylContact C-O 3.54Å; W524-V527 VanDerWaalsContact CA-O 3.25Å; W524-V527 WeakPolarHBondContact CA-O 3.43Å; W524-P529 HydrophobicContact CB-CB 4.18Å; W524-P529 HydrophobicContact CB-CG 3.95Å; W524-P529 HydrophobicContact CG-CG 4.39Å; W524-F551 PolarHBondContact NE1-O 2.61Å; W524-F551 VanDerWaalsContact NE1-O 3.13Å; W524-K552 HydrophobicContact CZ2-CG 4.46Å
525	D	97.2	Very high	98.2	Very high	77 Å²	77	31.9 Å²	31.9	41%	0.412	18%	0.178	S	C	.	.	S	Bend	trans	-63.1	-36.1	-177.4	-72.3	10.4	0	0	0	112.6	R450	R450-D525 WeakPolarHBondContact CB-OD2 3.33Å
526	Q	98.2	Very high	98.2	Very high	78 Å²	78	35.4 Å²	35.4	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-135.2	0.7	-172.8	-57.6	177.4	-80.1	0	0	112.8	Y451 N452 W524	Y451-Q526 VanDerWaalsContact CE2-OE1 3.32Å; N452-Q526 WeakPolarHBondContact O-CB 3.02Å; W524-Q526 VanDerWaalsContact C-N 3.3Å; W524-Q526 PolarHBondContact O-N 2.98Å
527	V	98.3	Very high	98.1	Very high	13 Å²	13	36.6 Å²	36.6	8%	0.079	21%	0.205	C	C	.	.	S	Bend	trans	-136.7	156.9	-175.6	-69.9	0	0	0	0	107.7	N452 F454 R478 L481 T523 W524	N452-V527 WeakPolarHBondContact O-CG1 3.02Å; F454-V527 HydrophobicContact CD1-CG1 4.08Å; F454-V527 HydrophobicContact CE1-CG1 3.95Å; R478-V527 HydrophobicContact CG-CG2 4.17Å; L481-V527 HydrophobicContact CD1-CB 3.76Å; L481-V527 HydrophobicContact CD1-CG1 4.04Å; L481-V527 HydrophobicContact CD1-CG2 4.32Å; T523-V527 HydrophobicContact CG2-CG2 3.98Å; T523-V527 WeakPolarHBondContact O-CG2 3.23Å; W524-V527 CarbonylContact C-O 3.54Å; W524-V527 VanDerWaalsContact CA-O 3.25Å; W524-V527 WeakPolarHBondContact CA-O 3.43Å
528	P	98.1	Very high	98	Very high	67 Å²	67	40 Å²	40	44%	0.435	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-61.2	145.7	-179	25.4	-35	0	0	0	111.5	R478 L481	R478-P528 PolarHBondContact NH1-O 3.38Å; R478-P528 PolarHBondContact NH2-O 3.37Å; L481-P528 HydrophobicContact CD1-CG 4.41Å; L481-P528 HydrophobicContact CD2-CG 4.17Å
529	P	98.5	Very high	97.8	Very high	59 Å²	59	45.9 Å²	45.9	38%	0.383	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-50.8	142.1	167.8	-24.9	33.3	0	0	0	111.4	W524 V548 A550	W524-P529 HydrophobicContact CB-CB 4.18Å; W524-P529 HydrophobicContact CB-CG 3.95Å; W524-P529 HydrophobicContact CG-CG 4.39Å; P529-V548 HydrophobicContact CB-CG1 4.21Å; P529-A550 HydrophobicContact CB-CB 4.12Å; P529-A550 HydrophobicContact CG-CB 4.24Å
530	F	98.7	Very high	97.7	Very high	4 Å²	4	48 Å²	48	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.1	172	175.4	-101.1	0	0	0	109.3	Y237 M240 P522 W532 Y537 W549	Y237-F530 HydrophobicContact CD2-CD1 4.36Å; Y237-F530 AromaticContact CD2-CD2 3.89Å; Y237-F530 HydrophobicContact CD2-CD2 3.89Å; Y237-F530 HydrophobicContact CD2-CE1 4.05Å; Y237-F530 AromaticContact CD2-CE2 3.54Å; Y237-F530 HydrophobicContact CD2-CE2 3.54Å; Y237-F530 HydrophobicContact CD2-CG 4.29Å; Y237-F530 AromaticContact CD2-CZ 3.64Å; Y237-F530 HydrophobicContact CD2-CZ 3.64Å; Y237-F530 AromaticContact CE2-CD2 3.69Å; Y237-F530 HydrophobicContact CE2-CD2 3.69Å; Y237-F530 AromaticContact CE2-CE2 3.75Å; Y237-F530 HydrophobicContact CE2-CE2 3.75Å; Y237-F530 HydrophobicContact CE2-CG 4.19Å; Y237-F530 HydrophobicContact CE2-CZ 4.3Å; M240-F530 HydrophobicContact CE-CD1 4.18Å; M240-F530 HydrophobicContact CE-CE1 4.15Å; P522-F530 HydrophobicContact CB-CB 4Å; P522-F530 HydrophobicContact CG-CB 3.75Å; P522-F530 HydrophobicContact CG-CD1 4.33Å; P522-F530 HydrophobicContact CG-CG 4.11Å; F530-W532 AromaticContact CE1-CD1 3.94Å; F530-W532 AromaticContact CE1-CD2 3.66Å; F530-W532 HydrophobicContact CE1-CD2 3.66Å; F530-W532 AromaticContact CE1-CE2 3.57Å; F530-W532 HydrophobicContact CE1-CE3 4.18Å; F530-W532 AromaticContact CE1-CG 3.9Å; F530-W532 HydrophobicContact CE1-CG 3.9Å; F530-W532 HydrophobicContact CE1-CH2 4.49Å; F530-W532 HydrophobicContact CE1-CZ2 4.01Å; F530-W532 AromaticContact CE1-NE1 3.75Å; F530-W532 AromaticContact CZ-CD2 3.8Å; F530-W532 HydrophobicContact CZ-CD2 3.8Å; F530-W532 AromaticContact CZ-CE3 3.84Å; F530-W532 HydrophobicContact CZ-CE3 3.84Å; F530-W532 HydrophobicContact CZ-CG 4.28Å; F530-W532 HydrophobicContact CZ-CH2 4.34Å; F530-W532 HydrophobicContact CZ-CZ2 4.31Å; F530-W532 HydrophobicContact CZ-CZ3 4.11Å; F530-Y537 HydrophobicContact CE2-CD2 4.41Å; F530-W549 HydrophobicContact CB-CB 4.4Å; F530-W549 HydrophobicContact CD1-CB 4.49Å; F530-W549 AromaticContact CD1-CD1 3.62Å; F530-W549 HydrophobicContact CD1-CG 4.18Å; F530-W549 PolarHBondContact O-N 3.1Å
531	Q	98.6	Very high	97.6	Very high	59 Å²	59	55 Å²	55	28%	0.276	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	118.4	178.2	175.7	174.5	4.6	0	0	110	S533 T534 S535 D547 V548	Q531-S533 PolarHBondContact NE2-OG 3.1Å; Q531-S533 VanDerWaalsContact NE2-OG 3.09Å; Q531-S533 PolarHBondContact O-N 3.24Å; Q531-T534 WeakPolarHBondContact CB-OG1 3.15Å; Q531-T534 HydrophobicContact CG-CG2 4.23Å; Q531-T534 PolarHBondContact O-N 2.04Å; Q531-T534 PolarHBondContact O-OG1 3.39Å; Q531-S535 WeakPolarHBondContact O-CB 3.47Å; Q531-S535 PolarHBondContact O-N 3.38Å; Q531-D547 CarbonylContact C-O 3.39Å; Q531-D547 VanDerWaalsContact CA-O 3.23Å; Q531-D547 WeakPolarHBondContact CA-O 3.32Å; Q531-D547 WeakPolarHBondContact CG-OD2 3.31Å; Q531-D547 PolarHBondContact NE2-OD2 3.43Å; Q531-V548 HydrophobicContact CB-CG2 4.12Å; Q531-V548 HydrophobicContact CG-CG2 3.7Å
532	W	98.6	Very high	97.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-54.1	-54.7	-174.9	-78.3	106.7	0	0	0	112	Y237 Q238 M240 F530 T534 S535 L540 H542 H545 D547 W549	Y237-W532 WeakPolarHBondContact O-CZ2 3.31Å; Q238-W532 HydrophobicContact CG-CH2 4.13Å; M240-W532 HydrophobicContact CE-CZ2 4.14Å; F530-W532 AromaticContact CE1-CD1 3.94Å; F530-W532 AromaticContact CE1-CD2 3.66Å; F530-W532 HydrophobicContact CE1-CD2 3.66Å; F530-W532 AromaticContact CE1-CE2 3.57Å; F530-W532 HydrophobicContact CE1-CE3 4.18Å; F530-W532 AromaticContact CE1-CG 3.9Å; F530-W532 HydrophobicContact CE1-CG 3.9Å; F530-W532 HydrophobicContact CE1-CH2 4.49Å; F530-W532 HydrophobicContact CE1-CZ2 4.01Å; F530-W532 AromaticContact CE1-NE1 3.75Å; F530-W532 AromaticContact CZ-CD2 3.8Å; F530-W532 HydrophobicContact CZ-CD2 3.8Å; F530-W532 AromaticContact CZ-CE3 3.84Å; F530-W532 HydrophobicContact CZ-CE3 3.84Å; F530-W532 HydrophobicContact CZ-CG 4.28Å; F530-W532 HydrophobicContact CZ-CH2 4.34Å; F530-W532 HydrophobicContact CZ-CZ2 4.31Å; F530-W532 HydrophobicContact CZ-CZ3 4.11Å; W532-T534 PolarHBondContact O-N 3.06Å; W532-T534 VanDerWaalsContact O-N 3.08Å; W532-S535 WeakPolarHBondContact O-CB 3.05Å; W532-S535 PolarHBondContact O-N 3.17Å; W532-S535 PolarHBondContact O-OG 3.21Å; W532-L540 HydrophobicContact CZ3-CB 4.24Å; W532-H542 AromaticContact CD1-CD2 3.89Å; W532-H542 HydrophobicContact CD2-CB 3.9Å; W532-H542 AromaticContact CD2-CD2 3.96Å; W532-H542 AromaticContact CD2-CG 3.59Å; W532-H542 AromaticContact CD2-ND1 3.69Å; W532-H542 AromaticContact CE2-CG 3.79Å; W532-H542 HydrophobicContact CE3-CB 4.26Å; W532-H542 AromaticContact CE3-CG 3.91Å; W532-H542 AromaticContact CE3-ND1 3.56Å; W532-H542 HydrophobicContact CG-CB 4.49Å; W532-H542 AromaticContact CG-CD2 3.73Å; W532-H542 AromaticContact CG-CG 3.88Å; W532-H542 AromaticContact CG-NE2 3.92Å; W532-H542 HydrophobicContact CH2-CB 4.08Å; W532-H542 HydrophobicContact CZ2-CB 3.68Å; W532-H542 HydrophobicContact CZ3-CB 4.35Å; W532-H545 AromaticContact CE2-ND1 3.64Å; W532-H545 AromaticContact CZ2-ND1 3.49Å; W532-H545 WeakPolarHBondContact CZ2-ND1 3.36Å; W532-H545 AromaticContact NE1-CG 3.95Å; W532-H545 AromaticContact NE1-ND1 3.4Å; W532-H545 PolarHBondContact NE1-ND1 3.33Å; W532-D547 PolarHBondContact N-O 3.44Å; W532-D547 PolarHBondContact N-OD1 3.28Å; W532-W549 AromaticContact CD1-NE1 3.61Å; W532-W549 AromaticContact NE1-NE1 3.31Å
533	S	98.1	Very high	97.5	Very high	66 Å²	66	61.8 Å²	61.8	46%	0.462	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-62.1	-18	-175.3	58.8	0	0	0	0	115.6	Q531 D547	Q531-S533 PolarHBondContact NE2-OG 3.1Å; Q531-S533 VanDerWaalsContact NE2-OG 3.09Å; Q531-S533 PolarHBondContact O-N 3.24Å; S533-D547 VanDerWaalsContact CB-OD1 3.23Å; S533-D547 WeakPolarHBondContact CB-OD1 3.3Å; S533-D547 PolarHBondContact N-OD1 2.74Å; S533-D547 VanDerWaalsContact OG-CG 3.24Å; S533-D547 PolarHBondContact OG-OD1 2.89Å; S533-D547 PolarHBondContact OG-OD2 3.24Å
534	T	97.3	Very high	97.4	Very high	102 Å²	102	63.5 Å²	63.5	63%	0.626	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-111.4	-3.5	177.8	65.1	0	0	0	0	113	Q531 W532	Q531-T534 WeakPolarHBondContact CB-OG1 3.15Å; Q531-T534 HydrophobicContact CG-CG2 4.23Å; Q531-T534 PolarHBondContact O-N 2.04Å; Q531-T534 PolarHBondContact O-OG1 3.39Å; W532-T534 PolarHBondContact O-N 3.06Å; W532-T534 VanDerWaalsContact O-N 3.08Å
535	S	97.3	Very high	97.4	Very high	16 Å²	16	60.3 Å²	60.3	11%	0.112	33%	0.332	C	S	.	.	S	Bend	trans	-83.9	163.2	179.4	76.5	0	0	0	0	110.8	Q531 W532 Y537	Q531-S535 WeakPolarHBondContact O-CB 3.47Å; Q531-S535 PolarHBondContact O-N 3.38Å; W532-S535 WeakPolarHBondContact O-CB 3.05Å; W532-S535 PolarHBondContact O-N 3.17Å; W532-S535 PolarHBondContact O-OG 3.21Å; S535-Y537 PolarHBondContact O-N 3.25Å; S535-Y537 PolarHBondContact OG-N 3Å
536	P	96.1	Very high	97.4	Very high	77 Å²	77	57.8 Å²	57.8	50%	0.5	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	11.4	170.4	-19.7	34.4	0	0	0	115
537	Y	96.8	Very high	97.4	Very high	24 Å²	24	57.1 Å²	57.1	9%	0.094	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	22	-170.6	-47.3	-61.2	0	0	0	111.8	D480 Q495 R496 P497 F530 S535 D539 L540	D480-Y537 HydrophobicContact CB-CE2 3.79Å; Q495-Y537 WeakPolarHBondContact CG-OH 3.48Å; R496-Y537 WeakPolarHBondContact CA-OH 3.47Å; R496-Y537 PolarHBondContact N-OH 3.08Å; R496-Y537 VanDerWaalsContact N-OH 3.09Å; R496-Y537 PolarHBondContact O-OH 2.84Å; P497-Y537 HydrophobicContact CB-CD1 3.97Å; P497-Y537 HydrophobicContact CB-CD2 3.76Å; P497-Y537 HydrophobicContact CB-CE1 4.02Å; P497-Y537 HydrophobicContact CB-CE2 3.8Å; P497-Y537 HydrophobicContact CB-CG 3.83Å; P497-Y537 HydrophobicContact CG-CD1 4.16Å; P497-Y537 HydrophobicContact CG-CE1 4.06Å; F530-Y537 HydrophobicContact CE2-CD2 4.41Å; S535-Y537 PolarHBondContact O-N 3.25Å; S535-Y537 PolarHBondContact OG-N 3Å; Y537-D539 PolarHBondContact O-N 2.8Å; Y537-L540 HydrophobicContact CD1-CD1 4.16Å; Y537-L540 HydrophobicContact CG-CD1 4.25Å; Y537-L540 PolarHBondContact O-N 3.34Å; Y537-L540 VanDerWaalsContact O-N 3.15Å
538	D	95.6	Very high	97.4	Very high	101 Å²	101	59.5 Å²	59.5	54%	0.54	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.8	179.4	64.9	-33.3	0	0	0	112.7
539	D	95.9	Very high	97.5	Very high	124 Å²	124	56.3 Å²	56.3	66%	0.663	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.3	177.9	69.7	-28.7	0	0	0	114.9	Y537	Y537-D539 PolarHBondContact O-N 2.8Å
540	L	96.1	Very high	97.4	Very high	50 Å²	50	55.6 Å²	55.6	26%	0.262	31%	0.311	S	S	.	.	S	Bend	trans	-73.2	148.3	178.9	-61.8	-172.2	0	0	0	111.3	Q238 P497 W532 Y537 H542	Q238-L540 HydrophobicContact CG-CB 4.44Å; Q238-L540 HydrophobicContact CG-CD1 4.37Å; P497-L540 HydrophobicContact CB-CD1 4.14Å; P497-L540 HydrophobicContact CG-CD1 3.97Å; W532-L540 HydrophobicContact CZ3-CB 4.24Å; Y537-L540 HydrophobicContact CD1-CD1 4.16Å; Y537-L540 HydrophobicContact CG-CD1 4.25Å; Y537-L540 PolarHBondContact O-N 3.34Å; Y537-L540 VanDerWaalsContact O-N 3.15Å; L540-H542 PolarHBondContact O-CE1 3.28Å; L540-H542 PolarHBondContact O-N 2.88Å; L540-H542 PolarHBondContact O-ND1 3.43Å
541	Y	95.9	Very high	97.4	Very high	148 Å²	148	56.2 Å²	56.2	58%	0.58	31%	0.314	S	S	*	.			trans	-67.1	124.1	173.1	-65.4	-67.2	0	0	0	111.6	V105	V105-Y541 HydrophobicContact CG1-CD1 4.19Å; V105-Y541 HydrophobicContact CG1-CG 4.11Å
542	H	97.3	Very high	97.4	Very high	50 Å²	50	61 Å²	61	23%	0.231	33%	0.334	C	S	.	.			trans	-143.4	44.4	178.5	53.4	-92	0	0	0	111.1	N106 W532 L540 G544 H545	N106-H542 WeakPolarHBondContact OD1-CA 3.44Å; N106-H542 PolarHBondContact OD1-N 3.31Å; W532-H542 AromaticContact CD1-CD2 3.89Å; W532-H542 HydrophobicContact CD2-CB 3.9Å; W532-H542 AromaticContact CD2-CD2 3.96Å; W532-H542 AromaticContact CD2-CG 3.59Å; W532-H542 AromaticContact CD2-ND1 3.69Å; W532-H542 AromaticContact CE2-CG 3.79Å; W532-H542 HydrophobicContact CE3-CB 4.26Å; W532-H542 AromaticContact CE3-CG 3.91Å; W532-H542 AromaticContact CE3-ND1 3.56Å; W532-H542 HydrophobicContact CG-CB 4.49Å; W532-H542 AromaticContact CG-CD2 3.73Å; W532-H542 AromaticContact CG-CG 3.88Å; W532-H542 AromaticContact CG-NE2 3.92Å; W532-H542 HydrophobicContact CH2-CB 4.08Å; W532-H542 HydrophobicContact CZ2-CB 3.68Å; W532-H542 HydrophobicContact CZ3-CB 4.35Å; L540-H542 PolarHBondContact O-CE1 3.28Å; L540-H542 PolarHBondContact O-N 2.88Å; L540-H542 PolarHBondContact O-ND1 3.43Å; H542-G544 PolarHBondContact O-N 3.02Å; H542-H545 HydrophobicContact CB-CB 4.18Å; H542-H545 WeakPolarHBondContact CB-ND1 3.47Å; H542-H545 VanDerWaalsContact O-CB 3.27Å; H542-H545 WeakPolarHBondContact O-CB 3.43Å; H542-H545 PolarHBondContact O-N 3.23Å; H542-H545 VanDerWaalsContact O-N 3.09Å
543	M	98	Very high	97.3	Very high	95 Å²	95	64.4 Å²	64.4	47%	0.468	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	134.4	-179.2	-63.8	-171.4	71.3	0	0	111.3	K102 V105 N106 H545	K102-M543 HydrophobicContact CB-CB 4.01Å; K102-M543 HydrophobicContact CG-CB 4.02Å; V105-M543 HydrophobicContact CB-SD 4.06Å; V105-M543 HydrophobicContact CG1-CG 4.39Å; V105-M543 HydrophobicContact CG1-SD 3.75Å; V105-M543 HydrophobicContact CG2-SD 4.11Å; N106-M543 PolarHBondContact ND2-N 3.11Å; N106-M543 PolarHBondContact ND2-O 3.47Å; N106-M543 PolarHBondContact OD1-N 3.41Å; M543-H545 PolarHBondContact O-N 2.93Å
544	G	97.2	Very high	97.3	Very high	36 Å²	36	62.7 Å²	62.7	37%	0.371	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-5.9	-178.3	0	0	0	0	0	114.9	H542	H542-G544 PolarHBondContact O-N 3.02Å
545	H	98.3	Very high	97.3	Very high	21 Å²	21	63.3 Å²	63.3	10%	0.097	34%	0.335	C	S	.	.			trans	-75.2	143.7	174.5	-67.3	-175.8	0	0	0	111.1	Y237 Q238 L241 W532 H542 M543 W549	Y237-H545 PolarHBondContact O-CE1 3.13Å; Q238-H545 PolarHBondContact O-CE1 2.97Å; L241-H545 PolarHBondContact N-NE2 2.89Å; W532-H545 AromaticContact CE2-ND1 3.64Å; W532-H545 AromaticContact CZ2-ND1 3.49Å; W532-H545 WeakPolarHBondContact CZ2-ND1 3.36Å; W532-H545 AromaticContact NE1-CG 3.95Å; W532-H545 AromaticContact NE1-ND1 3.4Å; W532-H545 PolarHBondContact NE1-ND1 3.33Å; H542-H545 HydrophobicContact CB-CB 4.18Å; H542-H545 WeakPolarHBondContact CB-ND1 3.47Å; H542-H545 VanDerWaalsContact O-CB 3.27Å; H542-H545 WeakPolarHBondContact O-CB 3.43Å; H542-H545 PolarHBondContact O-N 3.23Å; H542-H545 VanDerWaalsContact O-N 3.09Å; M543-H545 PolarHBondContact O-N 2.93Å; H545-W549 HydrophobicContact CB-CZ2 3.85Å; H545-W549 AromaticContact CG-CZ2 3.8Å
546	P	97.4	Very high	97.3	Very high	24 Å²	24	62.6 Å²	62.6	16%	0.156	33%	0.33	C	S	.	.			trans	-61.9	148.8	157.1	30.8	-37.2	0	0	0	109.7	W549 F551	P546-W549 VanDerWaalsContact CD-CZ2 3.47Å; P546-W549 HydrophobicContact CG-CD2 4.07Å; P546-W549 HydrophobicContact CG-CE3 4.42Å; P546-W549 HydrophobicContact CG-CH2 4.01Å; P546-W549 HydrophobicContact CG-CZ2 3.67Å; P546-W549 HydrophobicContact CG-CZ3 4.39Å; P546-W549 PolarHBondContact O-NE1 3.31Å; P546-F551 HydrophobicContact CB-CZ 4.15Å; P546-F551 HydrophobicContact CG-CE2 3.72Å; P546-F551 HydrophobicContact CG-CZ 3.67Å
547	D	98.1	Very high	97.1	Very high	64 Å²	64	63.2 Å²	63.2	34%	0.342	33%	0.333	S	S	.	.	S	Bend	trans	-66.3	-49.3	176	-178.7	45.8	0	0	0	110.9	Q531 W532 S533	Q531-D547 CarbonylContact C-O 3.39Å; Q531-D547 VanDerWaalsContact CA-O 3.23Å; Q531-D547 WeakPolarHBondContact CA-O 3.32Å; Q531-D547 WeakPolarHBondContact CG-OD2 3.31Å; Q531-D547 PolarHBondContact NE2-OD2 3.43Å; W532-D547 PolarHBondContact N-O 3.44Å; W532-D547 PolarHBondContact N-OD1 3.28Å; S533-D547 VanDerWaalsContact CB-OD1 3.23Å; S533-D547 WeakPolarHBondContact CB-OD1 3.3Å; S533-D547 PolarHBondContact N-OD1 2.74Å; S533-D547 VanDerWaalsContact OG-CG 3.24Å; S533-D547 PolarHBondContact OG-OD1 2.89Å; S533-D547 PolarHBondContact OG-OD2 3.24Å
548	V	98.4	Very high	96.7	Very high	62 Å²	62	63.3 Å²	63.3	38%	0.376	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130	-179.5	-176.8	0	0	0	0	110.9	P529 Q531 A550	P529-V548 HydrophobicContact CB-CG1 4.21Å; Q531-V548 HydrophobicContact CB-CG2 4.12Å; Q531-V548 HydrophobicContact CG-CG2 3.7Å; V548-A550 HydrophobicContact CG1-CB 4.18Å
549	W	98.4	Very high	95.2	Very high	1 Å²	1	63.3 Å²	63.3	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	88.6	178	-68.8	77	0	0	0	110.4	M240 F530 W532 H545 P546 F551	M240-W549 HydrophobicContact CB-CH2 3.51Å; M240-W549 HydrophobicContact CB-CZ2 3.7Å; M240-W549 HydrophobicContact CB-CZ3 4.07Å; M240-W549 HydrophobicContact CE-CD2 3.81Å; M240-W549 VanDerWaalsContact CE-CE2 3.48Å; M240-W549 HydrophobicContact CE-CE3 4.42Å; M240-W549 HydrophobicContact CE-CG 4.18Å; M240-W549 HydrophobicContact CE-CH2 4.45Å; M240-W549 HydrophobicContact CE-CZ2 3.8Å; M240-W549 WeakPolarHBondContact O-CH2 3.43Å; M240-W549 HydrophobicContact SD-CD2 4.32Å; M240-W549 HydrophobicContact SD-CE3 4.39Å; F530-W549 HydrophobicContact CB-CB 4.4Å; F530-W549 HydrophobicContact CD1-CB 4.49Å; F530-W549 AromaticContact CD1-CD1 3.62Å; F530-W549 HydrophobicContact CD1-CG 4.18Å; F530-W549 PolarHBondContact O-N 3.1Å; W532-W549 AromaticContact CD1-NE1 3.61Å; W532-W549 AromaticContact NE1-NE1 3.31Å; H545-W549 HydrophobicContact CB-CZ2 3.85Å; H545-W549 AromaticContact CG-CZ2 3.8Å; P546-W549 VanDerWaalsContact CD-CZ2 3.47Å; P546-W549 HydrophobicContact CG-CD2 4.07Å; P546-W549 HydrophobicContact CG-CE3 4.42Å; P546-W549 HydrophobicContact CG-CH2 4.01Å; P546-W549 HydrophobicContact CG-CZ2 3.67Å; P546-W549 HydrophobicContact CG-CZ3 4.39Å; P546-W549 PolarHBondContact O-NE1 3.31Å; W549-F551 HydrophobicContact CD2-CE2 4.2Å; W549-F551 AromaticContact CE3-CD2 3.79Å; W549-F551 HydrophobicContact CE3-CD2 3.79Å; W549-F551 AromaticContact CE3-CE2 3.56Å; W549-F551 HydrophobicContact CE3-CE2 3.56Å; W549-F551 HydrophobicContact CZ3-CD2 4.16Å; W549-F551 AromaticContact CZ3-CE2 3.78Å; W549-F551 HydrophobicContact CZ3-CE2 3.78Å
550	A	98	Very high	92.9	Very high	43 Å²	43	66.2 Å²	66.2	36%	0.355	37%	0.367	S	S	.	.			trans	-133.6	40.9	179.9	0	0	0	0	0	111.7	P529 V548	P529-A550 HydrophobicContact CB-CB 4.12Å; P529-A550 HydrophobicContact CG-CB 4.24Å; V548-A550 HydrophobicContact CG1-CB 4.18Å
551	F	98.5	Very high	92.8	Very high	18 Å²	18	67.1 Å²	67.1	8%	0.079	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-72.8	143	-177.9	-61.7	-65.8	0	0	0	111.8	I63 T65 T66 W524 P546 W549	I63-F551 VanDerWaalsContact O-CZ 3.27Å; I63-F551 WeakPolarHBondContact O-CZ 3.49Å; T65-F551 VanDerWaalsContact O-CD1 3.25Å; T65-F551 WeakPolarHBondContact O-CD1 3.49Å; T65-F551 WeakPolarHBondContact O-CE1 3.35Å; T66-F551 VanDerWaalsContact C-CD1 3.42Å; W524-F551 PolarHBondContact NE1-O 2.61Å; W524-F551 VanDerWaalsContact NE1-O 3.13Å; P546-F551 HydrophobicContact CB-CZ 4.15Å; P546-F551 HydrophobicContact CG-CE2 3.72Å; P546-F551 HydrophobicContact CG-CZ 3.67Å; W549-F551 HydrophobicContact CD2-CE2 4.2Å; W549-F551 AromaticContact CE3-CD2 3.79Å; W549-F551 HydrophobicContact CE3-CD2 3.79Å; W549-F551 AromaticContact CE3-CE2 3.56Å; W549-F551 HydrophobicContact CE3-CE2 3.56Å; W549-F551 HydrophobicContact CZ3-CD2 4.16Å; W549-F551 AromaticContact CZ3-CE2 3.78Å; W549-F551 HydrophobicContact CZ3-CE2 3.78Å
552	K	97.6	Very high	92.6	Very high	159 Å²	159	62.8 Å²	62.8	69%	0.691	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-87.2	160.1	173.9	-68.8	-175.8	-179.9	179.3	0	110.4	W524 I554	W524-K552 HydrophobicContact CZ2-CG 4.46Å; K552-I554 PolarHBondContact O-N 3.05Å
553	P	97.8	Very high	92.3	Very high	72 Å²	72	63.5 Å²	63.5	47%	0.468	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-56.6	136.3	170.2	-18.9	28.2	0	0	0	111.7	V446 A518 V519	V446-P553 HydrophobicContact CG1-CG 4.05Å; A518-P553 CarbonylContact O-C 3.46Å; A518-P553 WeakPolarHBondContact O-CA 3.15Å; V519-P553 HydrophobicContact CG2-CB 3.68Å; V519-P553 HydrophobicContact CG2-CG 3.58Å
554	I	98.1	Very high	92	Very high	30 Å²	30	61.6 Å²	61.6	15%	0.154	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.3	172.2	60.8	161.1	0	0	0	110.2	T66 W68 F70 L517 A518 K552 V556	T66-I554 HydrophobicContact CG2-CG2 3.71Å; W68-I554 HydrophobicContact CG-CD1 4.28Å; F70-I554 HydrophobicContact CE1-CD1 4.1Å; F70-I554 HydrophobicContact CZ-CD1 3.6Å; L517-I554 CarbonylContact C-O 3.51Å; L517-I554 WeakPolarHBondContact CA-O 3.27Å; A518-I554 HydrophobicContact CB-CG1 4.28Å; A518-I554 PolarHBondContact N-O 3.43Å; A518-I554 WeakPolarHBondContact O-CG1 3.27Å; A518-I554 PolarHBondContact O-N 2.88Å; K552-I554 PolarHBondContact O-N 3.05Å; I554-V556 HydrophobicContact CD1-CG2 4.2Å; I554-V556 HydrophobicContact CG1-CG2 4.48Å
555	K	97.3	Very high	91.7	Very high	114 Å²	114	63.3 Å²	63.3	50%	0.496	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.9	165.6	-169.8	-177.7	177.5	-176.9	0	107.9	L517 T557	L517-K555 HydrophobicContact CD2-CB 4.03Å; L517-K555 HydrophobicContact CD2-CG 4.4Å; K555-T557 HydrophobicContact CD-CG2 3.97Å; K555-T557 HydrophobicContact CG-CG2 3.97Å; K555-T557 PolarHBondContact O-N 3.47Å
556	V	96.4	Very high	91.2	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	113.8	171.6	-174	0	0	0	0	107.6	F70 M244 G515 M516 A518 I554 W558	F70-V556 HydrophobicContact CD1-CG1 4.17Å; F70-V556 HydrophobicContact CE1-CG1 4.01Å; F70-V556 HydrophobicContact CE1-CG2 4.14Å; M244-V556 HydrophobicContact CB-CG1 4.43Å; M244-V556 HydrophobicContact CE-CG2 4.26Å; M244-V556 HydrophobicContact CG-CG1 4.5Å; M244-V556 HydrophobicContact CG-CG2 4.18Å; G515-V556 VanDerWaalsContact CA-O 3.31Å; G515-V556 WeakPolarHBondContact CA-O 3.23Å; M516-V556 HydrophobicContact CG-CB 3.89Å; M516-V556 HydrophobicContact CG-CG2 3.87Å; M516-V556 PolarHBondContact N-O 3.12Å; M516-V556 WeakPolarHBondContact O-CB 3.05Å; M516-V556 PolarHBondContact O-N 3.31Å; A518-V556 HydrophobicContact CB-CG2 4.01Å; I554-V556 HydrophobicContact CD1-CG2 4.2Å; I554-V556 HydrophobicContact CG1-CG2 4.48Å; V556-W558 HydrophobicContact CG1-CH2 4.15Å; V556-W558 HydrophobicContact CG1-CZ2 3.72Å
557	T	91.3	Very high	90.8	Very high	90 Å²	90	69.1 Å²	69.1	55%	0.552	40%	0.396	S	S	*	.			trans	-123.5	137.6	173.9	54.5	0	0	0	0	108.4	K555	K555-T557 HydrophobicContact CD-CG2 3.97Å; K555-T557 HydrophobicContact CG-CG2 3.97Å; K555-T557 PolarHBondContact O-N 3.47Å
558	W	88.3	Confident	90.2	Very high	27 Å²	27	69.5 Å²	69.5	10%	0.102	40%	0.4	C	S	.	.			trans	-96.4	131.5	-180	-52	101.8	0	0	0	109.6	E72 M244 K246 A267 Y514 V556 S560	E72-W558 HydrophobicContact CG-CE3 3.67Å; E72-W558 HydrophobicContact CG-CZ3 3.98Å; M244-W558 HydrophobicContact CB-CH2 3.91Å; K246-W558 HydrophobicContact CB-CD2 3.82Å; K246-W558 HydrophobicContact CB-CE3 3.72Å; K246-W558 HydrophobicContact CB-CH2 3.71Å; K246-W558 HydrophobicContact CB-CZ2 3.82Å; K246-W558 HydrophobicContact CB-CZ3 3.66Å; K246-W558 HydrophobicContact CD-CB 3.77Å; K246-W558 HydrophobicContact CD-CD2 3.41Å; K246-W558 VanDerWaalsContact CD-CD2 3.41Å; K246-W558 HydrophobicContact CD-CE3 3.92Å; K246-W558 HydrophobicContact CD-CG 3.31Å; K246-W558 HydrophobicContact CG-CD2 4.27Å; K246-W558 VanDerWaalsContact NZ-CB 3.31Å; A267-W558 HydrophobicContact CB-CZ2 3.95Å; Y514-W558 PolarHBondContact O-NE1 2.57Å; V556-W558 HydrophobicContact CG1-CH2 4.15Å; V556-W558 HydrophobicContact CG1-CZ2 3.72Å; W558-S560 PolarHBondContact O-N 3.22Å
559	T	65.8	Low	89.6	Confident	100 Å²	100	70.1 Å²	70.1	61%	0.613	40%	0.402	S	S	*	.			trans	-69.7	123.2	171.4	40.8	0	0	0	0	108.3	E72	E72-T559 PolarHBondContact OE1-OG1 3.34Å
560	S	47.2	Very low	88.8	Confident	186 Å²	186	76.4 Å²	76.4	100%	1.301	44%	0.438	S	S	*	.			trans	-100.3	0	174.6	36	0	0	0	0	111	W558	W558-S560 PolarHBondContact O-N 3.22Å

Retrieved 560 of 560 residues in 1006.9 ms (Link to these results)

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