A0A060Z230_ONCMY Loading...

Hyaluronidase

AlphaFold DB , UniProt , Accession A0A060Z230, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110521336, Length 487 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	38.7	Very low	239 Å²	239	149.8 Å²	149.8	100%	1.177	77%	0.772	S	S	*	*				0	95.3	0	-85	173	167.5	0	0	108.8
2	N	31.8	Very low	38.9	Very low	170 Å²	170	147.4 Å²	147.4	91%	0.909	75%	0.754	S	S	*	*				170.3	107.6	124.6	-95.5	-7.4	0	0	0	107.6
3	L	33.2	Very low	39.2	Very low	153 Å²	153	149.3 Å²	149.3	80%	0.801	75%	0.754	S	S	*	*			trans	-74.8	152	172.2	-89.2	136.3	0	0	0	109.9
4	D	35.2	Very low	39.6	Very low	125 Å²	125	147.7 Å²	147.7	67%	0.668	75%	0.745	S	S	*	*			trans	76.1	91.3	149.6	-53	-24.4	0	0	0	119.9
5	R	37.3	Very low	39.7	Very low	256 Å²	256	145.2 Å²	145.2	97%	0.966	73%	0.729	S	S	*	*			trans	-109.3	83.2	136.4	-95.3	-175.1	-179.4	-179.7	0.9	108.4
6	V	40.6	Very low	39.9	Very low	119 Å²	119	141.8 Å²	141.8	72%	0.721	72%	0.722	S	S	*	*			trans	-68.2	130.5	165.4	174.7	0	0	0	0	108.2	V8	V6-V8 PolarHBondContact O-N 2.83Å
7	S	39.3	Very low	39.9	Very low	84 Å²	84	142.4 Å²	142.4	59%	0.587	72%	0.719	S	S	*	*			trans	-58.4	116.7	-176.1	-178.1	0	0	0	0	112.4	R9	S7-R9 PolarHBondContact O-N 3.23Å
8	V	45.4	Very low	39.8	Very low	110 Å²	110	141.6 Å²	141.6	67%	0.667	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	37	172.5	-169.4	0	0	0	0	111.3	V6	V6-V8 PolarHBondContact O-N 2.83Å
9	R	42.8	Very low	39.6	Very low	219 Å²	219	141.1 Å²	141.1	83%	0.826	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	-5	176.9	-76.5	-175.5	170.8	-173.5	-3.1	113.7	S7	S7-R9 PolarHBondContact O-N 3.23Å
10	G	40.9	Very low	39.5	Very low	51 Å²	51	141.4 Å²	141.4	53%	0.526	71%	0.71	S	S	.	*	S	Bend	trans	-94.9	-18.1	174.2	0	0	0	0	0	115.4
11	L	40.1	Very low	39.5	Very low	122 Å²	122	139.1 Å²	139.1	64%	0.639	70%	0.704	S	S	*	*	H	α-helix	trans	-83.3	-34.2	-177.1	-101.7	81.3	0	0	0	113.6	F13 M14 E15	L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.86Å; L11-M14 PolarHBondContact O-N 3.34Å; L11-E15 PolarHBondContact O-N 3.39Å
12	H	41.8	Very low	39.3	Very low	121 Å²	121	134.3 Å²	134.3	56%	0.56	68%	0.682	S	S	*	*	H	α-helix	trans	-74.8	-17.3	-179.1	-71.5	-50.6	0	0	0	114.3	E15	H12-E15 IonicContact ND1-OE2 3.52Å
13	F	42.4	Very low	39.7	Very low	172 Å²	172	132.3 Å²	132.3	75%	0.754	67%	0.671	S	S	*	*	H	α-helix	trans	-82.6	-23.7	175.3	-123.2	-90.5	0	0	0	112.7	L11	L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.86Å
14	M	44.3	Very low	39.8	Very low	127 Å²	127	128 Å²	128	63%	0.626	66%	0.662	S	S	*	*	H	α-helix	trans	-83.3	-32.5	173.9	-103.7	-165.1	82.2	0	0	112.8	L11 F17 F18	L11-M14 PolarHBondContact O-N 3.34Å; M14-F17 PolarHBondContact O-N 3.2Å; M14-F18 HydrophobicContact CE-CD2 4.4Å; M14-F18 HydrophobicContact CE-CE2 4.22Å; M14-F18 PolarHBondContact O-N 2.65Å; M14-F18 VanDerWaalsContact O-N 3.12Å
15	E	42.3	Very low	39.9	Very low	110 Å²	110	127 Å²	127	51%	0.514	66%	0.662	S	S	.	*	H	α-helix	trans	-71.3	-36	178.6	-73.7	177.8	161.3	0	0	112.8	L11 H12 F17 F18 L19	L11-E15 PolarHBondContact O-N 3.39Å; H12-E15 IonicContact ND1-OE2 3.52Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 3.29Å; E15-F18 PolarHBondContact O-N 3.23Å; E15-L19 PolarHBondContact O-N 3.4Å
16	C	42.2	Very low	40	Very low	91 Å²	91	122.8 Å²	122.8	62%	0.615	66%	0.658	S	S	*	*	H	α-helix	trans	-69	-30.5	173.4	-84.9	0	0	0	0	113.1	M20	C16-M20 WeakPolarHBondContact O-CG 3.48Å; C16-M20 PolarHBondContact O-N 2.91Å
17	F	39.6	Very low	40.6	Very low	152 Å²	152	125.2 Å²	125.2	67%	0.667	65%	0.654	S	S	*	*	H	α-helix	trans	-75.7	-29.5	175.8	-123.4	-90.8	0	0	0	112.1	M14 E15 T21	M14-F17 PolarHBondContact O-N 3.2Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 3.29Å; F17-T21 WeakPolarHBondContact O-CG2 3.39Å; F17-T21 PolarHBondContact O-N 3.28Å; F17-T21 PolarHBondContact O-OG1 2.93Å; F17-T21 VanDerWaalsContact O-OG1 3.13Å
18	F	38.9	Very low	42.2	Very low	128 Å²	128	125.7 Å²	125.7	56%	0.561	66%	0.663	S	S	*	*	H	α-helix	trans	-79.9	-27.7	173.3	-105.6	-87.1	0	0	0	113.9	M14 E15 T21 L22	M14-F18 HydrophobicContact CE-CD2 4.4Å; M14-F18 HydrophobicContact CE-CE2 4.22Å; M14-F18 PolarHBondContact O-N 2.65Å; M14-F18 VanDerWaalsContact O-N 3.12Å; E15-F18 PolarHBondContact O-N 3.23Å; F18-T21 WeakPolarHBondContact CA-OG1 3.38Å; F18-T21 PolarHBondContact O-OG1 3.29Å; F18-L22 PolarHBondContact O-N 3.12Å
19	L	36.2	Very low	44.2	Very low	132 Å²	132	124.1 Å²	124.1	69%	0.691	65%	0.651	S	S	*	*	H	α-helix	trans	-75.9	-27.1	171.9	-112.7	87.9	0	0	0	113	E15	E15-L19 PolarHBondContact O-N 3.4Å
20	M	37.4	Very low	46.7	Very low	147 Å²	147	114.4 Å²	114.4	72%	0.724	62%	0.616	S	S	*	*	H	α-helix	trans	-81.1	-15.4	174.6	-72	-73.8	-82.4	0	0	113.2	C16	C16-M20 WeakPolarHBondContact O-CG 3.48Å; C16-M20 PolarHBondContact O-N 2.91Å
21	T	38.4	Very low	49.3	Very low	94 Å²	94	115 Å²	115	58%	0.577	60%	0.604	S	S	*	*	S	Bend	trans	-96.5	-4.7	172.6	53.7	0	0	0	0	113.8	F17 F18	F17-T21 WeakPolarHBondContact O-CG2 3.39Å; F17-T21 PolarHBondContact O-N 3.28Å; F17-T21 PolarHBondContact O-OG1 2.93Å; F17-T21 VanDerWaalsContact O-OG1 3.13Å; F18-T21 WeakPolarHBondContact CA-OG1 3.38Å; F18-T21 PolarHBondContact O-OG1 3.29Å
22	L	36.3	Very low	52	Low	138 Å²	138	109.4 Å²	109.4	72%	0.723	58%	0.575	S	S	*	*	S	Bend	trans	-105.9	0.9	173.4	-82.7	163.3	0	0	0	114	F18 G24	F18-L22 PolarHBondContact O-N 3.12Å; L22-G24 PolarHBondContact O-N 3.25Å
23	L	39.8	Very low	54.6	Low	128 Å²	128	107 Å²	107	67%	0.67	57%	0.566	S	S	*	*			trans	-79	63.2	151.6	-71.9	165.8	0	0	0	107.8	T25	L23-T25 VanDerWaalsContact C-N 3.32Å; L23-T25 PolarHBondContact O-N 3.47Å
24	G	34.4	Very low	57.1	Low	61 Å²	61	101.3 Å²	101.3	63%	0.629	55%	0.546	S	S	*	.			trans	-52.8	111	153.5	0	0	0	0	0	104.9	L22 N26	L22-G24 PolarHBondContact O-N 3.25Å; G24-N26 PolarHBondContact O-N 2.98Å
25	T	37.1	Very low	59.5	Low	106 Å²	106	95.5 Å²	95.5	65%	0.65	52%	0.518	S	S	*	.			trans	-59.3	88.4	179.3	41.2	0	0	0	0	108	L23 W27	L23-T25 VanDerWaalsContact C-N 3.32Å; L23-T25 PolarHBondContact O-N 3.47Å; T25-W27 VanDerWaalsContact CB-NE1 3.3Å; T25-W27 PolarHBondContact O-N 3.18Å
26	N	40.3	Very low	62	Low	167 Å²	167	91.8 Å²	91.8	89%	0.893	50%	0.503	S	S	*	.			trans	-67.2	75.4	162.3	-106.9	-1	0	0	0	105.5	G24 A28	G24-N26 PolarHBondContact O-N 2.98Å; N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.13Å
27	W	52.3	Low	64.5	Low	170 Å²	170	89.4 Å²	89.4	64%	0.644	48%	0.484	S	S	*	.			trans	-68.3	106.2	167.9	-75.6	24.8	0	0	0	103.9	T25 L29 Q290	T25-W27 VanDerWaalsContact CB-NE1 3.3Å; T25-W27 PolarHBondContact O-N 3.18Å; W27-L29 PolarHBondContact O-N 3.42Å; W27-Q290 HydrophobicContact CZ3-CB 4.46Å; W27-Q290 HydrophobicContact CZ3-CG 4.34Å
28	A	73.4	Confident	67	Low	93 Å²	93	86.4 Å²	86.4	77%	0.769	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-51.2	135	166.8	0	0	0	0	0	107.2	N26	N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.13Å
29	L	88.3	Confident	69.5	Low	78 Å²	78	85.5 Å²	85.5	41%	0.408	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-51.8	146.3	174.1	-71.6	171.2	0	0	0	109.5	W27 I384 D430 C431	W27-L29 PolarHBondContact O-N 3.42Å; L29-I384 HydrophobicContact CD1-CG2 3.59Å; L29-D430 HydrophobicContact CD1-CB 3.61Å; L29-C431 WeakPolarHBondContact CD1-O 3.24Å
30	P	93.8	Very high	72.4	Confident	14 Å²	14	82 Å²	82	9%	0.091	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-63.2	160.9	178.8	32.7	-39.9	0	0	0	110.1	M286 A293 L432	P30-M286 HydrophobicContact CB-CG 4.46Å; P30-M286 HydrophobicContact CB-SD 4.34Å; P30-M286 HydrophobicContact CG-CG 4.05Å; P30-M286 HydrophobicContact CG-SD 3.58Å; P30-M286 VanDerWaalsContact CG-SD 3.58Å; P30-A293 HydrophobicContact CB-CB 4.25Å; P30-A293 HydrophobicContact CG-CB 3.79Å; P30-L432 HydrophobicContact CG-CD1 3.84Å; P30-L432 WeakPolarHBondContact O-CD1 3.44Å
31	K	95.4	Very high	75.3	Confident	65 Å²	65	75.3 Å²	75.3	28%	0.283	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	165.7	161.5	61.6	163.6	178.8	-178.6	0	110.6	S291 Y292 A293 C433 D436	K31-S291 VanDerWaalsContact CG-O 3.28Å; K31-S291 WeakPolarHBondContact CG-O 3.22Å; K31-S291 PolarHBondContact N-O 3.28Å; K31-Y292 HydrophobicContact CG-CD2 4.32Å; K31-Y292 CarbonylContact O-C 3.55Å; K31-Y292 VanDerWaalsContact O-CA 3.27Å; K31-Y292 WeakPolarHBondContact O-CA 3.45Å; K31-A293 PolarHBondContact O-N 3.17Å; K31-C433 CarbonylContact C-O 3.6Å; K31-C433 VanDerWaalsContact CA-O 3.28Å; K31-C433 WeakPolarHBondContact CA-O 3.17Å; K31-D436 WeakPolarHBondContact CD-OD1 3.22Å; K31-D436 WeakPolarHBondContact CE-OD1 3.35Å; K31-D436 IonicContact NZ-OD1 3.14Å; K31-D436 PolarHBondContact NZ-OD1 2.69Å; K31-D436 IonicContact NZ-OD2 3.96Å; K31-D436 PolarHBondContact NZ-OD2 3.43Å
32	T	97.2	Very high	78.1	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.018	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.1	175.7	-170.3	0	0	0	0	108.8	A293 R382 L432 C433 Y434	T32-A293 WeakPolarHBondContact CB-O 3.49Å; T32-A293 PolarHBondContact OG1-O 3.43Å; T32-R382 PolarHBondContact OG1-NH2 3.09Å; T32-L432 HydrophobicContact CG2-CD2 3.67Å; T32-L432 HydrophobicContact CG2-CG 3.66Å; T32-C433 PolarHBondContact N-O 3.13Å; T32-Y434 HydrophobicContact CG2-CD1 3.92Å; T32-Y434 HydrophobicContact CG2-CE1 4.15Å; T32-Y434 CarbonylContact O-C 3.58Å; T32-Y434 VanDerWaalsContact O-CA 3.24Å; T32-Y434 WeakPolarHBondContact O-CA 3.48Å
33	D	96.1	Very high	81.1	Confident	71 Å²	71	64.5 Å²	64.5	38%	0.38	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-76.2	149.1	171.9	-64.7	-38.7	0	0	0	111	Y292 P295 R382	D33-Y292 PolarHBondContact OD2-OH 3.03Å; D33-P295 HydrophobicContact CB-CG 3.96Å; D33-R382 PolarHBondContact O-NH2 2.79Å
34	P	95.6	Very high	83.9	Confident	53 Å²	53	58.5 Å²	58.5	34%	0.344	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-60	154.5	170.8	28	-34.5	0	0	0	110.3	Y434	P34-Y434 HydrophobicContact CB-CD1 4.26Å; P34-Y434 HydrophobicContact CB-CD2 4.05Å; P34-Y434 HydrophobicContact CB-CE2 4.37Å; P34-Y434 HydrophobicContact CB-CG 4Å
35	P	94.5	Very high	87	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.026	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-56	159.6	169.6	-23.9	36.3	0	0	0	112.1	D37 Y40 L43	P35-D37 CarbonylContact O-C 3.02Å; P35-D37 PolarHBondContact O-N 2.89Å; P35-D37 VanDerWaalsContact O-N 3.12Å; P35-Y40 WeakPolarHBondContact CG-O 3.4Å; P35-L43 HydrophobicContact CB-CD1 3.58Å; P35-L43 HydrophobicContact CB-CD2 4.29Å; P35-L43 HydrophobicContact CB-CG 3.68Å
36	V	94.1	Very high	89.9	Confident	32 Å²	32	50.6 Å²	50.6	19%	0.194	27%	0.274	C	S	.	.	S	Bend	trans	-54.4	-34	179.8	-174.6	0	0	0	0	112.1	L43 P133 L135 L208	V36-L43 HydrophobicContact CB-CD1 4.33Å; V36-P133 HydrophobicContact CG1-CB 3.76Å; V36-L135 HydrophobicContact CG2-CD2 3.65Å; V36-L208 HydrophobicContact CG2-CD1 3.72Å; V36-L208 HydrophobicContact CG2-CG 4.39Å
37	D	94.9	Very high	92.6	Very high	41 Å²	41	42.7 Å²	42.7	22%	0.219	23%	0.231	C	C	.	.	S	Bend	trans	-105.6	105.4	166.8	-178.9	-7.6	0	0	0	109.1	P35 D39 Y40 L43	P35-D37 CarbonylContact O-C 3.02Å; P35-D37 PolarHBondContact O-N 2.89Å; P35-D37 VanDerWaalsContact O-N 3.12Å; D37-D39 PolarHBondContact O-N 2.92Å; D37-D39 PolarHBondContact OD1-N 3.23Å; D37-Y40 PolarHBondContact O-N 2.9Å; D37-Y40 WeakPolarHBondContact OD2-CD2 3.2Å; D37-L43 HydrophobicContact CB-CD1 4.49Å; D37-L43 HydrophobicContact CB-CD2 3.82Å
38	P	91.9	Very high	94.7	Very high	89 Å²	89	34.6 Å²	34.6	58%	0.578	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.7	-171.6	30.2	-35.9	0	0	0	113.8	Y40	P38-Y40 PolarHBondContact O-N 3.41Å
39	D	92.7	Very high	95.7	Very high	109 Å²	109	30.1 Å²	30.1	58%	0.583	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.7	177.8	-72.5	-18.2	0	0	0	112.3	D37	D37-D39 PolarHBondContact O-N 2.92Å; D37-D39 PolarHBondContact OD1-N 3.23Å
40	Y	96.8	Very high	96	Very high	58 Å²	58	27 Å²	27	23%	0.227	15%	0.148	C	C	.	.			trans	-124.2	116.4	-176.1	-66.5	-90.2	0	0	0	110.6	P35 D37 P38 F42 L43 Q67	P35-Y40 WeakPolarHBondContact CG-O 3.4Å; D37-Y40 PolarHBondContact O-N 2.9Å; D37-Y40 WeakPolarHBondContact OD2-CD2 3.2Å; P38-Y40 PolarHBondContact O-N 3.41Å; Y40-F42 PolarHBondContact O-N 3.32Å; Y40-L43 HydrophobicContact CG-CD2 4.37Å; Y40-Q67 HydrophobicContact CD1-CG 4.15Å; Y40-Q67 HydrophobicContact CD2-CG 3.56Å; Y40-Q67 HydrophobicContact CE1-CG 4.27Å; Y40-Q67 HydrophobicContact CE2-CG 3.7Å; Y40-Q67 HydrophobicContact CG-CG 3.79Å
41	P	97.6	Very high	96.1	Very high	8 Å²	8	29.8 Å²	29.8	5%	0.052	16%	0.159	C	C	.	.	S	Bend	trans	-65.9	-22.2	178.7	-22.5	33.3	0	0	0	114.6	S373 R382 Y434	P41-S373 VanDerWaalsContact CG-CB 3.42Å; P41-R382 HydrophobicContact CB-CB 3.95Å; P41-R382 PolarHBondContact O-NH1 2.94Å; P41-Y434 WeakPolarHBondContact CA-OH 3.36Å
42	F	98.6	Very high	96.1	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.022	15%	0.151	C	C	.	.	S	Bend	trans	-138.7	119.7	178.3	-177.3	-95.9	0	0	0	109.7	Y40 F44 I321 A324 A325 A329 A330 V332 V365	Y40-F42 PolarHBondContact O-N 3.32Å; F42-F44 HydrophobicContact CD1-CD2 4.24Å; F42-F44 HydrophobicContact CD1-CE1 4.3Å; F42-F44 AromaticContact CD1-CE2 3.57Å; F42-F44 HydrophobicContact CD1-CE2 3.57Å; F42-F44 AromaticContact CD1-CZ 3.6Å; F42-F44 HydrophobicContact CD1-CZ 3.6Å; F42-F44 HydrophobicContact CE1-CD1 4.37Å; F42-F44 AromaticContact CE1-CE1 3.78Å; F42-F44 HydrophobicContact CE1-CE1 3.78Å; F42-F44 AromaticContact CE1-CE2 3.92Å; F42-F44 HydrophobicContact CE1-CE2 3.92Å; F42-F44 AromaticContact CE1-CZ 3.5Å; F42-F44 HydrophobicContact CE1-CZ 3.5Å; F42-F44 VanDerWaalsContact CE1-CZ 3.5Å; F42-I321 HydrophobicContact CE1-CG2 4.1Å; F42-I321 HydrophobicContact CZ-CG2 4.43Å; F42-A324 HydrophobicContact CE2-CB 4.35Å; F42-A324 HydrophobicContact CZ-CB 4.32Å; F42-A325 HydrophobicContact CD1-CB 4.09Å; F42-A325 HydrophobicContact CD2-CB 3.79Å; F42-A325 HydrophobicContact CE1-CB 3.98Å; F42-A325 HydrophobicContact CE2-CB 3.68Å; F42-A325 HydrophobicContact CG-CB 3.98Å; F42-A325 HydrophobicContact CZ-CB 3.75Å; F42-A329 WeakPolarHBondContact CD2-O 3.33Å; F42-A329 HydrophobicContact CE2-CB 4.29Å; F42-A330 WeakPolarHBondContact CA-O 3.41Å; F42-V332 HydrophobicContact CE1-CG2 3.95Å; F42-V332 HydrophobicContact CZ-CB 4.35Å; F42-V332 HydrophobicContact CZ-CG1 3.77Å; F42-V332 HydrophobicContact CZ-CG2 3.96Å; F42-V365 HydrophobicContact CD1-CG1 4.3Å; F42-V365 HydrophobicContact CE1-CG1 4.46Å
43	L	98.4	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.4	-174.9	-62.3	-180	0	0	0	113.3	P35 V36 D37 Y40 M45 Q67 Y297 A330 G331 V332	P35-L43 HydrophobicContact CB-CD1 3.58Å; P35-L43 HydrophobicContact CB-CD2 4.29Å; P35-L43 HydrophobicContact CB-CG 3.68Å; V36-L43 HydrophobicContact CB-CD1 4.33Å; D37-L43 HydrophobicContact CB-CD1 4.49Å; D37-L43 HydrophobicContact CB-CD2 3.82Å; Y40-L43 HydrophobicContact CG-CD2 4.37Å; L43-M45 HydrophobicContact CB-CE 4.23Å; L43-M45 HydrophobicContact CB-CG 4.2Å; L43-M45 HydrophobicContact CB-SD 4.39Å; L43-Q67 HydrophobicContact CD2-CB 4.04Å; L43-Q67 HydrophobicContact CD2-CG 3.9Å; L43-Y297 HydrophobicContact CD1-CE1 4.25Å; L43-A330 PolarHBondContact N-O 2.94Å; L43-G331 CarbonylContact O-C 3.58Å; L43-G331 WeakPolarHBondContact O-CA 3.43Å; L43-V332 PolarHBondContact O-N 3.34Å
44	F	98.4	Very high	96.2	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.4	166.9	-65.5	-88.5	0	0	0	109.1	F42 F66 Q67 I321 V332 I362 V365	F42-F44 HydrophobicContact CD1-CD2 4.24Å; F42-F44 HydrophobicContact CD1-CE1 4.3Å; F42-F44 AromaticContact CD1-CE2 3.57Å; F42-F44 HydrophobicContact CD1-CE2 3.57Å; F42-F44 AromaticContact CD1-CZ 3.6Å; F42-F44 HydrophobicContact CD1-CZ 3.6Å; F42-F44 HydrophobicContact CE1-CD1 4.37Å; F42-F44 AromaticContact CE1-CE1 3.78Å; F42-F44 HydrophobicContact CE1-CE1 3.78Å; F42-F44 AromaticContact CE1-CE2 3.92Å; F42-F44 HydrophobicContact CE1-CE2 3.92Å; F42-F44 AromaticContact CE1-CZ 3.5Å; F42-F44 HydrophobicContact CE1-CZ 3.5Å; F42-F44 VanDerWaalsContact CE1-CZ 3.5Å; F44-F66 HydrophobicContact CB-CD1 4.01Å; F44-F66 CarbonylContact O-C 3.58Å; F44-F66 VanDerWaalsContact O-CA 3.32Å; F44-F66 WeakPolarHBondContact O-CA 3.45Å; F44-Q67 PolarHBondContact O-N 2.78Å; F44-Q67 PolarHBondContact O-OE1 3.25Å; F44-I321 HydrophobicContact CE1-CD1 4.26Å; F44-I321 HydrophobicContact CE1-CG2 3.45Å; F44-I321 VanDerWaalsContact CE1-CG2 3.45Å; F44-I321 HydrophobicContact CZ-CG2 3.96Å; F44-V332 HydrophobicContact CD1-CG2 3.87Å; F44-V332 HydrophobicContact CE1-CG2 4.19Å; F44-I362 HydrophobicContact CB-CD1 4.43Å; F44-I362 HydrophobicContact CB-CG2 4.09Å; F44-I362 HydrophobicContact CD1-CB 4.2Å; F44-I362 HydrophobicContact CD1-CD1 4.06Å; F44-I362 HydrophobicContact CD1-CG1 3.56Å; F44-I362 HydrophobicContact CD1-CG2 3.9Å; F44-I362 HydrophobicContact CD2-CG2 3.65Å; F44-I362 HydrophobicContact CE1-CB 4.25Å; F44-I362 HydrophobicContact CE1-CG1 3.79Å; F44-I362 HydrophobicContact CE1-CG2 4.19Å; F44-I362 HydrophobicContact CE2-CG2 4.02Å; F44-I362 HydrophobicContact CG-CB 4.39Å; F44-I362 HydrophobicContact CG-CD1 4.41Å; F44-I362 HydrophobicContact CG-CG1 4.11Å; F44-I362 HydrophobicContact CG-CG2 3.58Å; F44-I362 HydrophobicContact CZ-CG2 4.28Å; F44-V365 HydrophobicContact CE2-CB 4.46Å; F44-V365 HydrophobicContact CE2-CG1 4.38Å; F44-V365 HydrophobicContact CZ-CB 3.75Å; F44-V365 HydrophobicContact CZ-CG1 3.72Å
45	M	98.6	Very high	96.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.7	-174.7	-61.1	174.9	-79.2	0	0	110.5	L43 L68 I81 L135 Y297 V332 I333 S334	L43-M45 HydrophobicContact CB-CE 4.23Å; L43-M45 HydrophobicContact CB-CG 4.2Å; L43-M45 HydrophobicContact CB-SD 4.39Å; M45-L68 CarbonylContact C-O 3.31Å; M45-L68 WeakPolarHBondContact CA-O 3.21Å; M45-L68 HydrophobicContact CB-CB 4.41Å; M45-L68 HydrophobicContact CG-CB 3.95Å; M45-L68 HydrophobicContact CG-CD1 4.16Å; M45-L68 HydrophobicContact CG-CG 4.17Å; M45-L68 HydrophobicContact SD-CD1 3.82Å; M45-L68 HydrophobicContact SD-CG 4.47Å; M45-I81 HydrophobicContact CB-CD1 3.74Å; M45-I81 HydrophobicContact CG-CD1 4.39Å; M45-I81 HydrophobicContact SD-CD1 4.46Å; M45-L135 HydrophobicContact CE-CD1 3.95Å; M45-L135 HydrophobicContact SD-CD1 3.46Å; M45-L135 WeakPolarHBondContact SD-CD1 3.46Å; M45-L135 HydrophobicContact SD-CG 4.44Å; M45-Y297 HydrophobicContact CE-CD1 3.39Å; M45-Y297 HydrophobicContact CE-CE1 4.07Å; M45-Y297 HydrophobicContact CE-CG 4.17Å; M45-V332 WeakPolarHBondContact CB-O 3.48Å; M45-V332 PolarHBondContact N-O 2.77Å; M45-I333 HydrophobicContact CB-CG1 4.29Å; M45-I333 HydrophobicContact CE-CD1 4.29Å; M45-I333 HydrophobicContact CE-CG1 3.42Å; M45-I333 VanDerWaalsContact CE-CG1 3.42Å; M45-I333 HydrophobicContact SD-CG1 4.16Å; M45-S334 PolarHBondContact O-N 2.92Å
46	W	98.1	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.2	178.7	-174.1	-93.6	0	0	0	109.5	A48 T50 L63 F66 L68 V69 S70 P302 L354 M358	W46-A48 HydrophobicContact CZ2-CB 3.95Å; W46-T50 HydrophobicContact CZ2-CG2 3.58Å; W46-T50 PolarHBondContact NE1-OG1 3.37Å; W46-L63 HydrophobicContact CD2-CD1 4.43Å; W46-L63 HydrophobicContact CD2-CD2 3.77Å; W46-L63 HydrophobicContact CE3-CD2 4.13Å; W46-L63 HydrophobicContact CG-CD1 3.99Å; W46-L63 HydrophobicContact CG-CD2 4.01Å; W46-F66 HydrophobicContact CB-CB 4.32Å; W46-F66 HydrophobicContact CB-CD1 3.88Å; W46-F66 HydrophobicContact CB-CD2 4.44Å; W46-F66 HydrophobicContact CB-CE1 4.27Å; W46-F66 HydrophobicContact CB-CG 3.96Å; W46-F66 HydrophobicContact CD2-CZ 4.47Å; W46-F66 HydrophobicContact CE3-CD1 4.49Å; W46-F66 AromaticContact CE3-CE1 3.76Å; W46-F66 HydrophobicContact CE3-CE1 3.76Å; W46-F66 HydrophobicContact CE3-CE2 4.08Å; W46-F66 AromaticContact CE3-CZ 3.52Å; W46-F66 HydrophobicContact CE3-CZ 3.52Å; W46-F66 HydrophobicContact CZ3-CZ 4.06Å; W46-L68 PolarHBondContact N-O 2.86Å; W46-V69 HydrophobicContact CB-CG1 4.42Å; W46-V69 HydrophobicContact CB-CG2 4.29Å; W46-V69 CarbonylContact O-C 3.46Å; W46-V69 WeakPolarHBondContact O-CA 3.5Å; W46-S70 PolarHBondContact O-N 3.27Å; W46-P302 HydrophobicContact CH2-CB 4.45Å; W46-P302 HydrophobicContact CH2-CG 4.13Å; W46-P302 HydrophobicContact CZ3-CG 4.49Å; W46-L354 HydrophobicContact CZ3-CD2 4.1Å; W46-M358 HydrophobicContact CZ3-CE 4.48Å; W46-M358 HydrophobicContact CZ3-SD 4.24Å
47	N	97.8	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	81	179.2	-167.4	21.5	0	0	0	110.5	S70 T72 I81 I333 S334 W335 G336	N47-S70 WeakPolarHBondContact CA-O 3.27Å; N47-T72 WeakPolarHBondContact O-CG2 3.34Å; N47-I81 HydrophobicContact CB-CD1 4.28Å; N47-I81 HydrophobicContact CB-CG2 4.5Å; N47-I333 HydrophobicContact CB-CG2 3.84Å; N47-S334 PolarHBondContact N-O 3.46Å; N47-W335 VanDerWaalsContact O-CA 3.32Å; N47-W335 WeakPolarHBondContact O-CA 3.19Å; N47-G336 PolarHBondContact O-N 3.13Å; N47-G336 VanDerWaalsContact O-N 3.13Å
48	A	96.2	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-153.2	156.6	-178.4	0	0	0	0	0	110.1	W46 T50 S70	W46-A48 HydrophobicContact CZ2-CB 3.95Å; A48-T50 HydrophobicContact CB-CG2 4.15Å; A48-T50 PolarHBondContact O-N 3.39Å; A48-S70 PolarHBondContact N-O 2.9Å
49	P	95.6	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.			trans	-81.9	39.1	-171.3	35.6	-33.3	0	0	0	112.5	E51 L52 T72 L73 G336 M338 T341	P49-E51 WeakPolarHBondContact CA-OE2 3.46Å; P49-E51 PolarHBondContact O-N 2.69Å; P49-E51 VanDerWaalsContact O-N 3.16Å; P49-L52 HydrophobicContact CB-CD1 4.24Å; P49-L52 VanDerWaalsContact O-CB 3.3Å; P49-L52 WeakPolarHBondContact O-CB 3.47Å; P49-L52 VanDerWaalsContact O-CG 3.28Å; P49-L52 WeakPolarHBondContact O-CG 3.45Å; P49-L52 PolarHBondContact O-N 3.05Å; P49-T72 VanDerWaalsContact CD-OG1 3.27Å; P49-T72 WeakPolarHBondContact CD-OG1 3.48Å; P49-L73 HydrophobicContact CB-CD2 3.7Å; P49-L73 HydrophobicContact CB-CG 3.78Å; P49-G336 WeakPolarHBondContact CD-O 3.44Å; P49-M338 HydrophobicContact CB-SD 4.23Å; P49-M338 HydrophobicContact CG-SD 3.81Å; P49-T341 HydrophobicContact CG-CG2 4.32Å
50	T	94.1	Very high	97.1	Very high	12 Å²	12	35 Å²	35	7%	0.074	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.6	-167.8	43.5	0	0	0	0	115.7	W46 A48 L52 C53 L61 V340 T341	W46-T50 HydrophobicContact CZ2-CG2 3.58Å; W46-T50 PolarHBondContact NE1-OG1 3.37Å; A48-T50 HydrophobicContact CB-CG2 4.15Å; A48-T50 PolarHBondContact O-N 3.39Å; T50-L52 PolarHBondContact O-N 3.16Å; T50-L52 VanDerWaalsContact O-N 3.16Å; T50-C53 WeakPolarHBondContact O-CB 3.3Å; T50-C53 PolarHBondContact O-N 3.41Å; T50-L61 HydrophobicContact CG2-CD1 3.48Å; T50-L61 VanDerWaalsContact CG2-CD1 3.48Å; T50-V340 HydrophobicContact CG2-CG1 4.23Å; T50-T341 HydrophobicContact CG2-CG2 4.2Å
51	E	95.4	Very high	97	Very high	72 Å²	72	33.2 Å²	33.2	34%	0.336	18%	0.179	S	C	.	.	H	α-helix	trans	-57.4	-22.3	166.1	65.4	-89	-150.7	0	0	112.3	P49 C53 E54 T55 S71 L73	P49-E51 WeakPolarHBondContact CA-OE2 3.46Å; P49-E51 PolarHBondContact O-N 2.69Å; P49-E51 VanDerWaalsContact O-N 3.16Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.15Å; E51-E54 PolarHBondContact O-N 2.85Å; E51-T55 WeakPolarHBondContact O-CG2 3.32Å; E51-T55 PolarHBondContact O-N 2.74Å; E51-T55 PolarHBondContact O-OG1 2.92Å; E51-S71 VanDerWaalsContact CD-OG 3.31Å; E51-S71 WeakPolarHBondContact OE1-CB 3.48Å; E51-S71 PolarHBondContact OE1-OG 3.11Å; E51-S71 WeakPolarHBondContact OE2-CB 3.41Å; E51-S71 PolarHBondContact OE2-OG 2.92Å; E51-L73 HydrophobicContact CG-CD1 4.28Å; E51-L73 WeakPolarHBondContact OE1-CD1 3.23Å
52	L	96.5	Very high	96.9	Very high	18 Å²	18	35.1 Å²	35.1	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-28.8	173.5	-64.8	-177.4	0	0	0	112.8	P49 T50 T55 R56 L73 M338 T341	P49-L52 HydrophobicContact CB-CD1 4.24Å; P49-L52 VanDerWaalsContact O-CB 3.3Å; P49-L52 WeakPolarHBondContact O-CB 3.47Å; P49-L52 VanDerWaalsContact O-CG 3.28Å; P49-L52 WeakPolarHBondContact O-CG 3.45Å; P49-L52 PolarHBondContact O-N 3.05Å; T50-L52 PolarHBondContact O-N 3.16Å; T50-L52 VanDerWaalsContact O-N 3.16Å; L52-T55 WeakPolarHBondContact CA-OG1 3.49Å; L52-R56 WeakPolarHBondContact O-CB 3.44Å; L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 2.83Å; L52-L73 HydrophobicContact CD1-CD2 4.13Å; L52-L73 HydrophobicContact CD2-CD1 4.29Å; L52-L73 HydrophobicContact CG-CD1 4.42Å; L52-M338 HydrophobicContact CD1-CE 3.47Å; L52-M338 VanDerWaalsContact CD1-CE 3.47Å; L52-M338 HydrophobicContact CD1-SD 4.02Å; L52-T341 HydrophobicContact CB-CG2 4.35Å
53	C	97.3	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-42	176.7	-72.9	0	0	0	0	112.4	T50 E51 F57 G58 V59 C347	T50-C53 WeakPolarHBondContact O-CB 3.3Å; T50-C53 PolarHBondContact O-N 3.41Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.15Å; C53-F57 CarbonylContact O-C 3.59Å; C53-F57 WeakPolarHBondContact O-CA 3.3Å; C53-F57 WeakPolarHBondContact O-CB 3.36Å; C53-F57 PolarHBondContact O-N 3.47Å; C53-F57 VanDerWaalsContact O-N 3.13Å; C53-G58 PolarHBondContact O-N 2.93Å; C53-V59 CarbonylContact C-O 3.5Å; C53-V59 VanDerWaalsContact C-O 3.31Å; C53-V59 HydrophobicContact CB-CB 4.37Å; C53-V59 WeakPolarHBondContact CB-O 3.43Å; C53-V59 PolarHBondContact O-N 3.14Å; C53-C347 WeakPolarHBondContact CA-SG 3.27Å; C53-C347 HydrophobicContact CB-CB 3.67Å; C53-C347 WeakPolarHBondContact CB-SG 3.37Å; C53-C347 WeakPolarHBondContact SG-CB 3.4Å; C53-C347 CovalentContact SG-SG 2.04Å; C53-C347 PolarHBondContact SG-SG 3.07Å
54	E	96.9	Very high	96.6	Very high	114 Å²	114	39.4 Å²	39.4	53%	0.533	22%	0.217	S	C	.	.	H	α-helix	trans	-72.9	-49.3	177	-177.8	172.7	-168.2	0	0	110.7	E51 R56 G58 V59 V60	E51-E54 PolarHBondContact O-N 2.85Å; E54-R56 PolarHBondContact O-N 2.84Å; E54-G58 VanDerWaalsContact O-CA 3.26Å; E54-G58 WeakPolarHBondContact O-CA 3.44Å; E54-G58 PolarHBondContact O-N 2.97Å; E54-V59 PolarHBondContact N-O 2.97Å; E54-V60 HydrophobicContact CG-CG2 4.14Å
55	T	96.8	Very high	96.4	Very high	107 Å²	107	39.8 Å²	39.8	66%	0.656	22%	0.219	S	C	*	.	H	α-helix	trans	-69.5	-32.6	-173.9	54.3	0	0	0	0	113.8	E51 L52	E51-T55 WeakPolarHBondContact O-CG2 3.32Å; E51-T55 PolarHBondContact O-N 2.74Å; E51-T55 PolarHBondContact O-OG1 2.92Å; L52-T55 WeakPolarHBondContact CA-OG1 3.49Å
56	R	96.9	Very high	96.4	Very high	134 Å²	134	40.4 Å²	40.4	51%	0.506	22%	0.222	S	C	.	.	H	α-helix	trans	-92.4	-36.7	179.6	-60.9	-179.9	176.6	-176.4	-0.3	113.5	L52 E54	L52-R56 WeakPolarHBondContact O-CB 3.44Å; L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 2.83Å; E54-R56 PolarHBondContact O-N 2.84Å
57	F	97.7	Very high	96.4	Very high	64 Å²	64	42.2 Å²	42.2	28%	0.281	23%	0.231	S	C	.	.	H	α-helix	trans	-126.4	-2.2	-167.7	-49.9	-63.9	0	0	0	114.1	C53 V59 S343 E344 C347	C53-F57 CarbonylContact O-C 3.59Å; C53-F57 WeakPolarHBondContact O-CA 3.3Å; C53-F57 WeakPolarHBondContact O-CB 3.36Å; C53-F57 PolarHBondContact O-N 3.47Å; C53-F57 VanDerWaalsContact O-N 3.13Å; F57-V59 HydrophobicContact CB-CG2 4.07Å; F57-V59 PolarHBondContact O-N 3.26Å; F57-S343 VanDerWaalsContact CE2-C 3.44Å; F57-E344 HydrophobicContact CB-CB 4.15Å; F57-E344 HydrophobicContact CB-CG 4.17Å; F57-E344 HydrophobicContact CD1-CB 3.73Å; F57-E344 HydrophobicContact CE1-CB 4.26Å; F57-E344 HydrophobicContact CG-CB 3.9Å; F57-E344 HydrophobicContact CG-CG 4.46Å; F57-C347 HydrophobicContact CD2-CB 4.5Å
58	G	97.3	Very high	96.4	Very high	57 Å²	57	43.2 Å²	43.2	59%	0.588	24%	0.236	S	C	*	.			trans	66.6	18.4	-176.5	0	0	0	0	0	113.9	C53 E54	C53-G58 PolarHBondContact O-N 2.93Å; E54-G58 VanDerWaalsContact O-CA 3.26Å; E54-G58 WeakPolarHBondContact O-CA 3.44Å; E54-G58 PolarHBondContact O-N 2.97Å
59	V	97.6	Very high	96.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	26%	0.256	C	S	.	.			trans	-95.6	104.1	179.8	-178	0	0	0	0	109.6	C53 E54 F57 L61 C347 F348 R351	C53-V59 CarbonylContact C-O 3.5Å; C53-V59 VanDerWaalsContact C-O 3.31Å; C53-V59 HydrophobicContact CB-CB 4.37Å; C53-V59 WeakPolarHBondContact CB-O 3.43Å; C53-V59 PolarHBondContact O-N 3.14Å; E54-V59 PolarHBondContact N-O 2.97Å; F57-V59 HydrophobicContact CB-CG2 4.07Å; F57-V59 PolarHBondContact O-N 3.26Å; V59-L61 HydrophobicContact CG1-CD2 4.22Å; V59-C347 HydrophobicContact CB-CB 4.01Å; V59-C347 HydrophobicContact CG1-CB 4.04Å; V59-C347 HydrophobicContact CG2-CB 4.29Å; V59-F348 HydrophobicContact CG1-CD1 4.15Å; V59-F348 HydrophobicContact CG1-CE1 4.35Å; V59-F348 HydrophobicContact CG2-CD1 4.11Å; V59-F348 HydrophobicContact CG2-CD2 4.4Å; V59-F348 HydrophobicContact CG2-CE1 3.78Å; V59-F348 HydrophobicContact CG2-CE2 4.12Å; V59-F348 HydrophobicContact CG2-CG 4.4Å; V59-F348 HydrophobicContact CG2-CZ 3.79Å; V59-R351 HydrophobicContact CG1-CB 4.28Å
60	V	95.8	Very high	96.5	Very high	81 Å²	81	46.9 Å²	46.9	49%	0.491	26%	0.258	S	S	.	.			trans	-81	129	175.8	-177.5	0	0	0	0	110.3	E54 R351	E54-V60 HydrophobicContact CG-CG2 4.14Å; V60-R351 WeakPolarHBondContact O-CD 3.38Å
61	L	95.7	Very high	96.6	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.11	26%	0.257	C	S	.	.			trans	-95.9	130.6	172.8	-55.6	-167.1	0	0	0	110.4	T50 V59 L63 A350 R351 L354	T50-L61 HydrophobicContact CG2-CD1 3.48Å; T50-L61 VanDerWaalsContact CG2-CD1 3.48Å; V59-L61 HydrophobicContact CG1-CD2 4.22Å; L61-L63 HydrophobicContact CB-CG 4.34Å; L61-L63 PolarHBondContact O-N 3.38Å; L61-A350 HydrophobicContact CD1-CB 4.19Å; L61-A350 HydrophobicContact CD2-CB 4.36Å; L61-R351 HydrophobicContact CD2-CB 3.52Å; L61-R351 HydrophobicContact CD2-CG 4.13Å; L61-L354 HydrophobicContact CB-CD1 3.91Å; L61-L354 HydrophobicContact CD1-CD1 4.04Å; L61-L354 HydrophobicContact CG-CD1 4.39Å
62	N	95	Very high	96.6	Very high	48 Å²	48	43.8 Å²	43.8	26%	0.257	25%	0.245	S	C	.	.			trans	-82.6	96.7	174.9	-177.5	6	0	0	0	110.7	S64 N359	N62-S64 VanDerWaalsContact OD1-CB 3.29Å; N62-S64 WeakPolarHBondContact OD1-CB 3.4Å; N62-S64 PolarHBondContact OD1-N 3.03Å; N62-S64 VanDerWaalsContact OD1-N 3.08Å; N62-S64 PolarHBondContact OD1-OG 2.89Å; N62-N359 PolarHBondContact O-ND2 3.17Å
63	L	96.3	Very high	96.6	Very high	25 Å²	25	44.8 Å²	44.8	13%	0.131	25%	0.25	C	C	.	.			trans	-99.6	14	176.7	-58.4	177.1	0	0	0	113.2	W46 L61 H65 F66 V69 L354	W46-L63 HydrophobicContact CD2-CD1 4.43Å; W46-L63 HydrophobicContact CD2-CD2 3.77Å; W46-L63 HydrophobicContact CE3-CD2 4.13Å; W46-L63 HydrophobicContact CG-CD1 3.99Å; W46-L63 HydrophobicContact CG-CD2 4.01Å; L61-L63 HydrophobicContact CB-CG 4.34Å; L61-L63 PolarHBondContact O-N 3.38Å; L63-H65 PolarHBondContact O-N 3.42Å; L63-F66 HydrophobicContact CB-CD2 4.09Å; L63-F66 HydrophobicContact CD2-CD2 4Å; L63-F66 HydrophobicContact CD2-CE2 3.81Å; L63-F66 WeakPolarHBondContact O-CD2 3.28Å; L63-F66 PolarHBondContact O-N 3.33Å; L63-F66 VanDerWaalsContact O-N 3.08Å; L63-V69 HydrophobicContact CB-CG2 4Å; L63-V69 HydrophobicContact CD1-CG1 3.7Å; L63-V69 HydrophobicContact CD1-CG2 4.44Å; L63-L354 HydrophobicContact CD2-CD1 3.74Å; L63-L354 HydrophobicContact CD2-CD2 4.17Å
64	S	95	Very high	96.5	Very high	70 Å²	70	49.9 Å²	49.9	49%	0.49	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.5	-174.1	79.3	0	0	0	0	115	N62	N62-S64 VanDerWaalsContact OD1-CB 3.29Å; N62-S64 WeakPolarHBondContact OD1-CB 3.4Å; N62-S64 PolarHBondContact OD1-N 3.03Å; N62-S64 VanDerWaalsContact OD1-N 3.08Å; N62-S64 PolarHBondContact OD1-OG 2.89Å
65	H	95.1	Very high	96.4	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.042	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.6	178.5	-72.4	-85.4	0	0	0	112.9	L63 Q67 I362 N455	L63-H65 PolarHBondContact O-N 3.42Å; H65-Q67 PolarHBondContact O-NE2 3.3Å; H65-I362 HydrophobicContact CB-CB 4.4Å; H65-I362 HydrophobicContact CB-CG2 3.91Å; H65-I362 WeakPolarHBondContact O-CG2 3.27Å; H65-N455 PolarHBondContact CE1-ND2 3.2Å; H65-N455 PolarHBondContact ND1-ND2 3.04Å; H65-N455 PolarHBondContact NE2-ND2 3.38Å
66	F	97.6	Very high	96.3	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.061	25%	0.252	C	S	.	.			trans	-88.6	134.7	173.5	-60.6	-94.8	0	0	0	109.1	F44 W46 L63 V69 L354 M358 I362	F44-F66 HydrophobicContact CB-CD1 4.01Å; F44-F66 CarbonylContact O-C 3.58Å; F44-F66 VanDerWaalsContact O-CA 3.32Å; F44-F66 WeakPolarHBondContact O-CA 3.45Å; W46-F66 HydrophobicContact CB-CB 4.32Å; W46-F66 HydrophobicContact CB-CD1 3.88Å; W46-F66 HydrophobicContact CB-CD2 4.44Å; W46-F66 HydrophobicContact CB-CE1 4.27Å; W46-F66 HydrophobicContact CB-CG 3.96Å; W46-F66 HydrophobicContact CD2-CZ 4.47Å; W46-F66 HydrophobicContact CE3-CD1 4.49Å; W46-F66 AromaticContact CE3-CE1 3.76Å; W46-F66 HydrophobicContact CE3-CE1 3.76Å; W46-F66 HydrophobicContact CE3-CE2 4.08Å; W46-F66 AromaticContact CE3-CZ 3.52Å; W46-F66 HydrophobicContact CE3-CZ 3.52Å; W46-F66 HydrophobicContact CZ3-CZ 4.06Å; L63-F66 HydrophobicContact CB-CD2 4.09Å; L63-F66 HydrophobicContact CD2-CD2 4Å; L63-F66 HydrophobicContact CD2-CE2 3.81Å; L63-F66 WeakPolarHBondContact O-CD2 3.28Å; L63-F66 PolarHBondContact O-N 3.33Å; L63-F66 VanDerWaalsContact O-N 3.08Å; F66-V69 HydrophobicContact CB-CG2 3.99Å; F66-L354 HydrophobicContact CE2-CD2 3.86Å; F66-L354 HydrophobicContact CZ-CD2 4.04Å; F66-M358 HydrophobicContact CE1-CE 3.76Å; F66-M358 HydrophobicContact CZ-CE 3.63Å; F66-M358 HydrophobicContact CZ-CG 4.46Å; F66-M358 HydrophobicContact CZ-SD 3.84Å; F66-I362 HydrophobicContact CD1-CD1 4.18Å; F66-I362 HydrophobicContact CD2-CD1 4.35Å; F66-I362 HydrophobicContact CE1-CD1 3.61Å; F66-I362 HydrophobicContact CE2-CD1 3.79Å; F66-I362 HydrophobicContact CZ-CD1 3.39Å
67	Q	97.5	Very high	96.3	Very high	40 Å²	40	40.7 Å²	40.7	19%	0.187	24%	0.244	C	C	.	.	S	Bend	trans	-72.9	-40.5	178.7	-74.7	64.3	58.7	0	0	110.4	Y40 L43 F44 H65	Y40-Q67 HydrophobicContact CD1-CG 4.15Å; Y40-Q67 HydrophobicContact CD2-CG 3.56Å; Y40-Q67 HydrophobicContact CE1-CG 4.27Å; Y40-Q67 HydrophobicContact CE2-CG 3.7Å; Y40-Q67 HydrophobicContact CG-CG 3.79Å; L43-Q67 HydrophobicContact CD2-CB 4.04Å; L43-Q67 HydrophobicContact CD2-CG 3.9Å; F44-Q67 PolarHBondContact O-N 2.78Å; F44-Q67 PolarHBondContact O-OE1 3.25Å; H65-Q67 PolarHBondContact O-NE2 3.3Å
68	L	97.4	Very high	96.2	Very high	21 Å²	21	40.6 Å²	40.6	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.2	176.7	-49.6	-179.1	0	0	0	109.9	M45 W46 I81	M45-L68 CarbonylContact C-O 3.31Å; M45-L68 WeakPolarHBondContact CA-O 3.21Å; M45-L68 HydrophobicContact CB-CB 4.41Å; M45-L68 HydrophobicContact CG-CB 3.95Å; M45-L68 HydrophobicContact CG-CD1 4.16Å; M45-L68 HydrophobicContact CG-CG 4.17Å; M45-L68 HydrophobicContact SD-CD1 3.82Å; M45-L68 HydrophobicContact SD-CG 4.47Å; W46-L68 PolarHBondContact N-O 2.86Å; L68-I81 HydrophobicContact CB-CD1 4.15Å; L68-I81 HydrophobicContact CB-CG1 4.24Å; L68-I81 HydrophobicContact CD1-CG1 4.4Å
69	V	97.6	Very high	96.1	Very high	71 Å²	71	39.6 Å²	39.6	43%	0.43	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127	175.2	-179.9	0	0	0	0	107.9	W46 L63 F66	W46-V69 HydrophobicContact CB-CG1 4.42Å; W46-V69 HydrophobicContact CB-CG2 4.29Å; W46-V69 CarbonylContact O-C 3.46Å; W46-V69 WeakPolarHBondContact O-CA 3.5Å; L63-V69 HydrophobicContact CB-CG2 4Å; L63-V69 HydrophobicContact CD1-CG1 3.7Å; L63-V69 HydrophobicContact CD1-CG2 4.44Å; F66-V69 HydrophobicContact CB-CG2 3.99Å
70	S	97.5	Very high	96	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	171.7	179.1	-61.7	0	0	0	0	109.5	W46 N47 A48 I81	W46-S70 PolarHBondContact O-N 3.27Å; N47-S70 WeakPolarHBondContact CA-O 3.27Å; A48-S70 PolarHBondContact N-O 2.9Å; S70-I81 PolarHBondContact OG-N 2.9Å; S70-I81 VanDerWaalsContact OG-N 3.13Å
71	S	96.4	Very high	96.2	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.042	22%	0.216	C	C	.	.			trans	-127.2	146.1	-172.3	169.3	0	0	0	0	109.6	E51 L73 Q79	E51-S71 VanDerWaalsContact CD-OG 3.31Å; E51-S71 WeakPolarHBondContact OE1-CB 3.48Å; E51-S71 PolarHBondContact OE1-OG 3.11Å; E51-S71 WeakPolarHBondContact OE2-CB 3.41Å; E51-S71 PolarHBondContact OE2-OG 2.92Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 WeakPolarHBondContact OG-CG 3.38Å; S71-L73 PolarHBondContact OG-N 2.64Å; S71-Q79 PolarHBondContact O-OE1 3.44Å
72	T	95.6	Very high	96.3	Very high	13 Å²	13	37 Å²	37	8%	0.08	21%	0.213	C	C	.	.			trans	-89.4	-2.4	178.4	55.1	0	0	0	0	112.8	N47 P49 K74 I83 R88	N47-T72 WeakPolarHBondContact O-CG2 3.34Å; P49-T72 VanDerWaalsContact CD-OG1 3.27Å; P49-T72 WeakPolarHBondContact CD-OG1 3.48Å; T72-K74 PolarHBondContact O-N 2.99Å; T72-I83 HydrophobicContact CG2-CG2 4.41Å; T72-R88 PolarHBondContact O-NH1 2.6Å; T72-R88 PolarHBondContact O-NH2 2.76Å
73	L	95.4	Very high	96.4	Very high	39 Å²	39	35.2 Å²	35.2	20%	0.204	20%	0.204	C	C	.	.			trans	-59.4	137.1	178	-67.5	-173.7	0	0	0	111.5	P49 E51 L52 S71 S75 A76 M338	P49-L73 HydrophobicContact CB-CD2 3.7Å; P49-L73 HydrophobicContact CB-CG 3.78Å; E51-L73 HydrophobicContact CG-CD1 4.28Å; E51-L73 WeakPolarHBondContact OE1-CD1 3.23Å; L52-L73 HydrophobicContact CD1-CD2 4.13Å; L52-L73 HydrophobicContact CD2-CD1 4.29Å; L52-L73 HydrophobicContact CG-CD1 4.42Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 WeakPolarHBondContact OG-CG 3.38Å; S71-L73 PolarHBondContact OG-N 2.64Å; L73-S75 PolarHBondContact O-N 2.88Å; L73-S75 VanDerWaalsContact O-N 3.13Å; L73-A76 HydrophobicContact CB-CB 4.34Å; L73-A76 WeakPolarHBondContact O-CB 3.27Å; L73-A76 PolarHBondContact O-N 3.49Å; L73-M338 HydrophobicContact CD2-SD 4.1Å
74	K	94.6	Very high	96.5	Very high	106 Å²	106	34 Å²	34	46%	0.461	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.2	177.2	-174.2	169	-174.2	159.6	0	113.5	T72 A76 D87 Y127	T72-K74 PolarHBondContact O-N 2.99Å; K74-A76 VanDerWaalsContact C-N 3.33Å; K74-D87 WeakPolarHBondContact CE-OD2 3.38Å; K74-D87 PolarHBondContact NZ-O 3.17Å; K74-D87 IonicContact NZ-OD2 3Å; K74-D87 PolarHBondContact NZ-OD2 2.52Å; K74-Y127 WeakPolarHBondContact O-CE1 3.14Å
75	S	94.6	Very high	96.6	Very high	89 Å²	89	32.7 Å²	32.7	62%	0.622	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-8.9	177.7	57.2	0	0	0	0	114.1	L73	L73-S75 PolarHBondContact O-N 2.88Å; L73-S75 VanDerWaalsContact O-N 3.13Å
76	A	95.1	Very high	96.6	Very high	18 Å²	18	33.6 Å²	33.6	15%	0.149	19%	0.188	C	C	.	.			trans	-82	122	-175.9	0	0	0	0	0	110.3	L73 K74 Q79	L73-A76 HydrophobicContact CB-CB 4.34Å; L73-A76 WeakPolarHBondContact O-CB 3.27Å; L73-A76 PolarHBondContact O-N 3.49Å; K74-A76 VanDerWaalsContact C-N 3.33Å; A76-Q79 HydrophobicContact CB-CG 4.47Å
77	T	96.5	Very high	96.4	Very high	56 Å²	56	36.9 Å²	36.9	34%	0.344	21%	0.207	S	C	.	.			trans	-130.6	166.1	-178.1	64.6	0	0	0	0	110.9	Q79 Y126 Y127	T77-Q79 VanDerWaalsContact C-N 3.31Å; T77-Q79 WeakPolarHBondContact O-CG 3.24Å; T77-Q79 PolarHBondContact O-N 3.25Å; T77-Y126 HydrophobicContact CG2-CD1 3.98Å; T77-Y126 HydrophobicContact CG2-CE1 3.51Å; T77-Y126 HydrophobicContact CG2-CE2 4.39Å; T77-Y127 HydrophobicContact CG2-CD1 4.1Å
78	N	96.1	Very high	96.3	Very high	62 Å²	62	36.3 Å²	36.3	33%	0.332	20%	0.203	S	C	.	.	S	Bend	trans	55.1	41.7	179.8	-158.2	31.7	0	0	0	114	Y127 P129	N78-Y127 PolarHBondContact N-O 2.92Å; N78-P129 HydrophobicContact CB-CG 3.72Å
79	Q	96.1	Very high	96.3	Very high	35 Å²	35	35.3 Å²	35.3	16%	0.164	20%	0.197	C	C	.	.			trans	-95.9	159	-176.8	-56.2	-173.9	-70.8	0	0	111.5	S71 A76 T77 I81 S82 R207	S71-Q79 PolarHBondContact O-OE1 3.44Å; A76-Q79 HydrophobicContact CB-CG 4.47Å; T77-Q79 VanDerWaalsContact C-N 3.31Å; T77-Q79 WeakPolarHBondContact O-CG 3.24Å; T77-Q79 PolarHBondContact O-N 3.25Å; Q79-I81 VanDerWaalsContact C-N 3.3Å; Q79-I81 WeakPolarHBondContact CB-O 3.48Å; Q79-S82 PolarHBondContact O-OG 3.32Å; Q79-R207 VanDerWaalsContact O-CZ 3.24Å; Q79-R207 PolarHBondContact O-NH1 3.02Å; Q79-R207 PolarHBondContact O-NH2 2.8Å
80	S	95.7	Very high	96.3	Very high	41 Å²	41	32.3 Å²	32.3	29%	0.287	18%	0.181	S	C	.	.	S	Bend	trans	-72.7	-25.1	175.2	-52.7	0	0	0	0	112.7	G134 L135 R207	S80-G134 CarbonylContact O-C 3.4Å; S80-G134 WeakPolarHBondContact O-CA 3.26Å; S80-L135 PolarHBondContact O-N 3.39Å; S80-R207 PolarHBondContact O-NH1 2.98Å
81	I	98.3	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113	171.4	-48	167.3	0	0	0	106.5	M45 N47 L68 S70 Q79 L135 I137	M45-I81 HydrophobicContact CB-CD1 3.74Å; M45-I81 HydrophobicContact CG-CD1 4.39Å; M45-I81 HydrophobicContact SD-CD1 4.46Å; N47-I81 HydrophobicContact CB-CD1 4.28Å; N47-I81 HydrophobicContact CB-CG2 4.5Å; L68-I81 HydrophobicContact CB-CD1 4.15Å; L68-I81 HydrophobicContact CB-CG1 4.24Å; L68-I81 HydrophobicContact CD1-CG1 4.4Å; S70-I81 PolarHBondContact OG-N 2.9Å; S70-I81 VanDerWaalsContact OG-N 3.13Å; Q79-I81 VanDerWaalsContact C-N 3.3Å; Q79-I81 WeakPolarHBondContact CB-O 3.48Å; I81-L135 HydrophobicContact CG1-CD1 4.5Å; I81-L135 HydrophobicContact CG2-CB 4.37Å; I81-I137 HydrophobicContact CG2-CD1 3.57Å
82	S	97.9	Very high	96.3	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.049	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110	177.3	-59.3	0	0	0	0	108.4	Q79 I128 L135 A136 I137	Q79-S82 PolarHBondContact O-OG 3.32Å; S82-I128 WeakPolarHBondContact OG-CG1 3.33Å; S82-L135 PolarHBondContact N-O 3.49Å; S82-A136 CarbonylContact O-C 3.52Å; S82-A136 WeakPolarHBondContact O-CA 3.35Å; S82-I137 PolarHBondContact O-N 3.44Å
83	I	97.9	Very high	96.4	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.9	174.9	-174.5	166.2	0	0	0	109.5	T72 Y85 I137 D139	T72-I83 HydrophobicContact CG2-CG2 4.41Å; I83-Y85 HydrophobicContact CB-CE2 4.47Å; I83-Y85 HydrophobicContact CD1-CE1 4.31Å; I83-Y85 HydrophobicContact CD1-CE2 4.22Å; I83-Y85 HydrophobicContact CG1-CD2 4.4Å; I83-Y85 HydrophobicContact CG1-CE2 4.02Å; I83-Y85 HydrophobicContact CG2-CD2 4.48Å; I83-Y85 HydrophobicContact CG2-CE2 3.75Å; I83-I137 WeakPolarHBondContact CA-O 3.49Å; I83-I137 HydrophobicContact CG1-CB 4.41Å; I83-D139 HydrophobicContact CD1-CB 4Å; I83-D139 HydrophobicContact CG1-CB 3.92Å
84	F	98.3	Very high	96.5	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.5	-177.7	-67.1	-85.7	0	0	0	109.2	R88 F89 I124 Y127 I128 A136 I137 L138 D139 W209	F84-R88 WeakPolarHBondContact CD1-O 3.19Å; F84-F89 HydrophobicContact CB-CB 3.8Å; F84-F89 HydrophobicContact CB-CD2 4.22Å; F84-F89 HydrophobicContact CB-CG 4.33Å; F84-F89 HydrophobicContact CD1-CB 3.95Å; F84-F89 AromaticContact CD1-CD2 3.73Å; F84-F89 HydrophobicContact CD1-CD2 3.73Å; F84-F89 HydrophobicContact CD1-CG 4.35Å; F84-F89 HydrophobicContact CD2-CD2 4.32Å; F84-F89 HydrophobicContact CE1-CD2 4.07Å; F84-F89 HydrophobicContact CG-CB 4.15Å; F84-F89 AromaticContact CG-CD2 3.84Å; F84-F89 HydrophobicContact CG-CD2 3.84Å; F84-F89 HydrophobicContact CG-CG 4.41Å; F84-I124 HydrophobicContact CZ-CG1 4.48Å; F84-Y127 HydrophobicContact CD1-CD2 4.08Å; F84-Y127 AromaticContact CE1-CD2 3.66Å; F84-Y127 HydrophobicContact CE1-CD2 3.66Å; F84-Y127 AromaticContact CE1-CG 3.97Å; F84-Y127 HydrophobicContact CE1-CG 3.97Å; F84-I128 HydrophobicContact CE2-CD1 3.96Å; F84-I128 HydrophobicContact CZ-CD1 3.85Å; F84-I128 HydrophobicContact CZ-CG1 4.1Å; F84-A136 HydrophobicContact CE2-CB 4.43Å; F84-I137 PolarHBondContact N-O 2.83Å; F84-L138 HydrophobicContact CB-CD2 3.91Å; F84-L138 HydrophobicContact CD2-CD2 4.06Å; F84-L138 HydrophobicContact CG-CD2 4.19Å; F84-D139 PolarHBondContact O-N 3.34Å; F84-W209 HydrophobicContact CD2-CZ3 4.35Å; F84-W209 AromaticContact CE2-CH2 3.85Å; F84-W209 HydrophobicContact CE2-CH2 3.85Å; F84-W209 AromaticContact CE2-CZ3 3.97Å; F84-W209 HydrophobicContact CE2-CZ3 3.97Å; F84-W209 HydrophobicContact CZ-CH2 4.24Å
85	Y	97	Very high	96.6	Very high	41 Å²	41	28 Å²	28	16%	0.161	16%	0.159	C	C	.	.			trans	-88.7	173.6	172.9	-63.2	-89.7	0	0	0	110.2	I83 D87 R88 D139 W335	I83-Y85 HydrophobicContact CB-CE2 4.47Å; I83-Y85 HydrophobicContact CD1-CE1 4.31Å; I83-Y85 HydrophobicContact CD1-CE2 4.22Å; I83-Y85 HydrophobicContact CG1-CD2 4.4Å; I83-Y85 HydrophobicContact CG1-CE2 4.02Å; I83-Y85 HydrophobicContact CG2-CD2 4.48Å; I83-Y85 HydrophobicContact CG2-CE2 3.75Å; Y85-D87 PolarHBondContact O-N 2.92Å; Y85-D87 VanDerWaalsContact O-N 3.08Å; Y85-R88 PolarHBondContact O-N 2.97Å; Y85-D139 HydrophobicContact CD1-CB 4.23Å; Y85-D139 HydrophobicContact CE1-CB 4.41Å; Y85-D139 WeakPolarHBondContact CE1-OD2 3.36Å; Y85-W335 PolarHBondContact OH-NE1 3.35Å
86	T	94.8	Very high	96.6	Very high	28 Å²	28	25.7 Å²	25.7	17%	0.172	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-31.5	-177.8	56.1	0	0	0	0	113.5	F92 F140 E142	T86-F92 HydrophobicContact CG2-CD1 3.32Å; T86-F92 HydrophobicContact CG2-CE1 3.5Å; T86-F92 HydrophobicContact CG2-CG 4.16Å; T86-F92 HydrophobicContact CG2-CZ 4.47Å; T86-F140 HydrophobicContact CG2-CD1 4.29Å; T86-E142 HydrophobicContact CG2-CG 4.01Å
87	D	94	Very high	96.4	Very high	83 Å²	83	29.5 Å²	29.5	44%	0.444	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	14	-179.4	77	-43.6	0	0	0	114.7	K74 Y85	K74-D87 WeakPolarHBondContact CE-OD2 3.38Å; K74-D87 PolarHBondContact NZ-O 3.17Å; K74-D87 IonicContact NZ-OD2 3Å; K74-D87 PolarHBondContact NZ-OD2 2.52Å; Y85-D87 PolarHBondContact O-N 2.92Å; Y85-D87 VanDerWaalsContact O-N 3.08Å
88	R	95.9	Very high	96.1	Very high	28 Å²	28	34.4 Å²	34.4	11%	0.106	18%	0.179	C	C	.	.	S	Bend	trans	-138.3	5.6	-172.8	-54.5	-175.6	-132.9	-178.3	0.4	114.8	T72 F84 Y85 D123 Y127	T72-R88 PolarHBondContact O-NH1 2.6Å; T72-R88 PolarHBondContact O-NH2 2.76Å; F84-R88 WeakPolarHBondContact CD1-O 3.19Å; Y85-R88 PolarHBondContact O-N 2.97Å; R88-D123 WeakPolarHBondContact O-CB 3.21Å; R88-Y127 HydrophobicContact CB-CE2 3.69Å; R88-Y127 WeakPolarHBondContact CD-OH 3.44Å; R88-Y127 HydrophobicContact CG-CE2 4.27Å; R88-Y127 VanDerWaalsContact CG-OH 3.32Å; R88-Y127 WeakPolarHBondContact CG-OH 3.5Å
89	F	97.6	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-151.7	105.7	-180	-174.8	-78.6	0	0	0	112.4	F84 A120 D123 I124 L138 F140 W209	F84-F89 HydrophobicContact CB-CB 3.8Å; F84-F89 HydrophobicContact CB-CD2 4.22Å; F84-F89 HydrophobicContact CB-CG 4.33Å; F84-F89 HydrophobicContact CD1-CB 3.95Å; F84-F89 AromaticContact CD1-CD2 3.73Å; F84-F89 HydrophobicContact CD1-CD2 3.73Å; F84-F89 HydrophobicContact CD1-CG 4.35Å; F84-F89 HydrophobicContact CD2-CD2 4.32Å; F84-F89 HydrophobicContact CE1-CD2 4.07Å; F84-F89 HydrophobicContact CG-CB 4.15Å; F84-F89 AromaticContact CG-CD2 3.84Å; F84-F89 HydrophobicContact CG-CD2 3.84Å; F84-F89 HydrophobicContact CG-CG 4.41Å; F89-A120 HydrophobicContact CD1-CB 4.29Å; F89-A120 HydrophobicContact CE1-CB 3.88Å; F89-A120 HydrophobicContact CE2-CB 4.46Å; F89-A120 HydrophobicContact CZ-CB 3.99Å; F89-D123 VanDerWaalsContact CA-OD2 3.23Å; F89-D123 WeakPolarHBondContact CA-OD2 3.49Å; F89-D123 PolarHBondContact N-OD2 3.45Å; F89-I124 HydrophobicContact CD2-CG1 4.31Å; F89-I124 HydrophobicContact CE2-CD1 3.73Å; F89-I124 HydrophobicContact CE2-CG1 3.76Å; F89-I124 HydrophobicContact CZ-CD1 4.21Å; F89-L138 HydrophobicContact CD1-CD2 4.01Å; F89-L138 HydrophobicContact CD2-CD2 3.56Å; F89-L138 HydrophobicContact CE1-CD1 4.48Å; F89-L138 HydrophobicContact CE1-CD2 4.09Å; F89-L138 HydrophobicContact CE2-CD2 3.6Å; F89-L138 HydrophobicContact CG-CD2 3.78Å; F89-L138 HydrophobicContact CZ-CD1 4.4Å; F89-L138 HydrophobicContact CZ-CD2 3.88Å; F89-F140 HydrophobicContact CB-CE1 4.31Å; F89-F140 HydrophobicContact CB-CZ 3.85Å; F89-F140 HydrophobicContact CD1-CE2 4.16Å; F89-F140 AromaticContact CD1-CZ 3.68Å; F89-F140 HydrophobicContact CD1-CZ 3.68Å; F89-F140 AromaticContact CG-CZ 3.97Å; F89-F140 HydrophobicContact CG-CZ 3.97Å; F89-W209 HydrophobicContact CE2-CH2 4.32Å; F89-W209 AromaticContact CE2-CZ3 3.99Å; F89-W209 HydrophobicContact CE2-CZ3 3.99Å
90	G	97.4	Very high	95.8	Very high	9 Å²	9	36.8 Å²	36.8	9%	0.093	21%	0.208	C	C	.	.	S	Bend	trans	58.4	-165.1	178.2	0	0	0	0	0	112.2	D123	G90-D123 PolarHBondContact N-OD2 3.49Å
91	L	96.8	Very high	95.8	Very high	27 Å²	27	40 Å²	40	14%	0.141	22%	0.219	C	C	.	.			trans	-87.9	107.4	169.1	-60.7	-177.4	0	0	0	109.2	E115 H116 Y192	L91-E115 HydrophobicContact CD1-CB 3.81Å; L91-E115 HydrophobicContact CD1-CG 3.6Å; L91-E115 HydrophobicContact CG-CG 4.38Å; L91-H116 HydrophobicContact CB-CB 4.14Å; L91-H116 PolarHBondContact N-ND1 2.97Å; L91-H116 PolarHBondContact O-ND1 3.09Å; L91-Y192 WeakPolarHBondContact O-CE2 3.48Å; L91-Y192 PolarHBondContact O-OH 3.26Å
92	F	97.3	Very high	95.6	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	25%	0.245	C	C	.	.			trans	-104.4	110.3	175.8	-177.7	-97.7	0	0	0	109.5	T86 Y94 D104 F140 E142 W143 Y192	T86-F92 HydrophobicContact CG2-CD1 3.32Å; T86-F92 HydrophobicContact CG2-CE1 3.5Å; T86-F92 HydrophobicContact CG2-CG 4.16Å; T86-F92 HydrophobicContact CG2-CZ 4.47Å; F92-Y94 AromaticContact CD1-CD1 3.97Å; F92-Y94 HydrophobicContact CD1-CD1 3.97Å; F92-Y94 HydrophobicContact CD1-CG 4.44Å; F92-Y94 HydrophobicContact CE1-CD1 4.43Å; F92-Y94 HydrophobicContact CE1-CG 4.47Å; F92-Y94 WeakPolarHBondContact O-CD1 3.33Å; F92-D104 PolarHBondContact N-OD2 3.08Å; F92-F140 HydrophobicContact CD2-CB 4.16Å; F92-F140 HydrophobicContact CD2-CD1 4.17Å; F92-F140 AromaticContact CD2-CD2 3.69Å; F92-F140 HydrophobicContact CD2-CD2 3.69Å; F92-F140 HydrophobicContact CD2-CE2 4.23Å; F92-F140 AromaticContact CD2-CG 3.74Å; F92-F140 HydrophobicContact CD2-CG 3.74Å; F92-F140 HydrophobicContact CE2-CB 3.52Å; F92-F140 HydrophobicContact CE2-CD1 4.38Å; F92-F140 AromaticContact CE2-CD2 3.75Å; F92-F140 HydrophobicContact CE2-CD2 3.75Å; F92-F140 AromaticContact CE2-CG 3.63Å; F92-F140 HydrophobicContact CE2-CG 3.63Å; F92-F140 HydrophobicContact CG-CD1 4.41Å; F92-F140 HydrophobicContact CG-CG 4.4Å; F92-F140 HydrophobicContact CZ-CB 3.73Å; F92-F140 HydrophobicContact CZ-CG 4.2Å; F92-E142 HydrophobicContact CE1-CB 3.72Å; F92-E142 HydrophobicContact CE1-CG 3.64Å; F92-E142 HydrophobicContact CZ-CB 4.08Å; F92-E142 HydrophobicContact CZ-CG 4.38Å; F92-W143 HydrophobicContact CD2-CZ2 4.07Å; F92-W143 AromaticContact CE1-NE1 3.92Å; F92-W143 AromaticContact CE2-CE2 3.58Å; F92-W143 HydrophobicContact CE2-CH2 4.09Å; F92-W143 AromaticContact CE2-CZ2 3.33Å; F92-W143 HydrophobicContact CE2-CZ2 3.33Å; F92-W143 AromaticContact CE2-NE1 3.75Å; F92-W143 AromaticContact CZ-CD1 3.97Å; F92-W143 HydrophobicContact CZ-CD2 4.33Å; F92-W143 AromaticContact CZ-CE2 3.58Å; F92-W143 AromaticContact CZ-CZ2 3.86Å; F92-W143 HydrophobicContact CZ-CZ2 3.86Å; F92-W143 AromaticContact CZ-NE1 3.33Å; F92-W143 VanDerWaalsContact CZ-NE1 3.33Å; F92-Y192 WeakPolarHBondContact CA-OH 3.39Å; F92-Y192 WeakPolarHBondContact CB-OH 3.48Å; F92-Y192 AromaticContact CD2-CE1 3.68Å; F92-Y192 HydrophobicContact CD2-CE1 3.68Å; F92-Y192 AromaticContact CD2-CZ 3.63Å; F92-Y192 WeakPolarHBondContact CD2-OH 3.29Å; F92-Y192 HydrophobicContact CE2-CE1 4.18Å
93	P	97.4	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.			trans	-78.7	131	-177.5	32	-34.5	0	0	0	111.3	Y103 D104 P108 I111 W143	P93-Y103 WeakPolarHBondContact CA-O 3.44Å; P93-D104 HydrophobicContact CB-CB 4.1Å; P93-D104 VanDerWaalsContact CB-O 3.3Å; P93-D104 WeakPolarHBondContact CB-O 3.31Å; P93-P108 HydrophobicContact CG-CB 4.39Å; P93-I111 HydrophobicContact CB-CG2 3.59Å; P93-I111 HydrophobicContact CG-CG2 3.55Å; P93-W143 HydrophobicContact CG-CZ2 4.39Å; P93-W143 PolarHBondContact O-NE1 3.25Å
94	Y	97.6	Very high	95.3	Very high	38 Å²	38	51.7 Å²	51.7	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.5	176.3	71.6	-80	0	0	0	112.7	F92 D96 Y103 E142	F92-Y94 AromaticContact CD1-CD1 3.97Å; F92-Y94 HydrophobicContact CD1-CD1 3.97Å; F92-Y94 HydrophobicContact CD1-CG 4.44Å; F92-Y94 HydrophobicContact CE1-CD1 4.43Å; F92-Y94 HydrophobicContact CE1-CG 4.47Å; F92-Y94 WeakPolarHBondContact O-CD1 3.33Å; Y94-D96 HydrophobicContact CE2-CB 4.28Å; Y94-Y103 HydrophobicContact CD1-CG 4.31Å; Y94-Y103 HydrophobicContact CD2-CD2 4.3Å; Y94-Y103 VanDerWaalsContact CE1-CB 3.48Å; Y94-Y103 HydrophobicContact CE1-CD1 4.26Å; Y94-Y103 HydrophobicContact CE1-CD2 4.04Å; Y94-Y103 AromaticContact CE1-CG 3.66Å; Y94-Y103 HydrophobicContact CE1-CG 3.66Å; Y94-Y103 AromaticContact CE2-CD2 3.69Å; Y94-Y103 HydrophobicContact CE2-CD2 3.69Å; Y94-Y103 HydrophobicContact CE2-CE2 4.19Å; Y94-Y103 HydrophobicContact CE2-CG 4.19Å; Y94-Y103 AromaticContact CZ-CD2 3.53Å; Y94-Y103 AromaticContact CZ-CG 3.58Å; Y94-Y103 PolarHBondContact N-O 3.18Å; Y94-Y103 VanDerWaalsContact N-O 3.11Å; Y94-Y103 PolarHBondContact O-N 3.5Å; Y94-E142 HydrophobicContact CD2-CG 4.09Å; Y94-E142 HydrophobicContact CG-CG 3.98Å
95	V	97	Very high	94.9	Very high	12 Å²	12	57.4 Å²	57.4	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.9	169.5	-173.3	0	0	0	0	107	E97 E101 M102 V156 Y157 L160	V95-E97 PolarHBondContact O-N 2.9Å; V95-E101 WeakPolarHBondContact CA-O 3.46Å; V95-M102 HydrophobicContact CG2-CG 4.2Å; V95-V156 HydrophobicContact CB-CG1 4.36Å; V95-V156 HydrophobicContact CG1-CG2 4.32Å; V95-V156 HydrophobicContact CG2-CG2 4.44Å; V95-Y157 HydrophobicContact CB-CE1 4.4Å; V95-Y157 HydrophobicContact CG2-CE1 3.99Å; V95-Y157 PolarHBondContact N-OH 3.36Å; V95-Y157 PolarHBondContact O-OH 3.36Å; V95-L160 HydrophobicContact CG2-CD2 4.23Å
96	D	93.9	Very high	94.8	Very high	41 Å²	41	55.4 Å²	55.4	22%	0.219	29%	0.292	C	S	.	.			trans	-64.3	121.4	175.8	179.2	-88.8	0	0	0	109.7	Y94 D98 T99 G100 E101 Y103	Y94-D96 HydrophobicContact CE2-CB 4.28Å; D96-D98 PolarHBondContact O-N 3.22Å; D96-D98 PolarHBondContact OD1-N 3.06Å; D96-T99 WeakPolarHBondContact CB-OG1 3.16Å; D96-T99 VanDerWaalsContact CG-OG1 3.22Å; D96-T99 WeakPolarHBondContact OD1-CB 3.08Å; D96-T99 WeakPolarHBondContact OD1-CG2 3.34Å; D96-T99 PolarHBondContact OD1-N 3.45Å; D96-T99 PolarHBondContact OD1-OG1 3.04Å; D96-G100 VanDerWaalsContact O-CA 3.27Å; D96-G100 WeakPolarHBondContact O-CA 3.17Å; D96-G100 PolarHBondContact O-N 3.4Å; D96-E101 PolarHBondContact N-O 3.19Å; D96-Y103 HydrophobicContact CB-CD2 4.46Å; D96-Y103 HydrophobicContact CB-CE2 3.97Å
97	E	90.1	Very high	95	Very high	98 Å²	98	54.1 Å²	54.1	46%	0.458	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.5	-170.6	-64.3	-166.6	169.8	0	0	112.7	V95 S153 K154	V95-E97 PolarHBondContact O-N 2.9Å; E97-S153 PolarHBondContact OE1-OG 2.89Å; E97-S153 PolarHBondContact OE2-OG 3.16Å; E97-K154 IonicContact OE1-NZ 2.64Å; E97-K154 PolarHBondContact OE1-NZ 2.99Å
98	D	90.4	Very high	95.2	Very high	160 Å²	160	50.1 Å²	50.1	86%	0.856	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-42	-177.1	-73.5	-36.1	0	0	0	112.8	D96	D96-D98 PolarHBondContact O-N 3.22Å; D96-D98 PolarHBondContact OD1-N 3.06Å
99	T	93.8	Very high	95.3	Very high	98 Å²	98	50.6 Å²	50.6	60%	0.601	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-22	-173.6	64.2	0	0	0	0	113.3	D96 E101	D96-T99 WeakPolarHBondContact CB-OG1 3.16Å; D96-T99 VanDerWaalsContact CG-OG1 3.22Å; D96-T99 WeakPolarHBondContact OD1-CB 3.08Å; D96-T99 WeakPolarHBondContact OD1-CG2 3.34Å; D96-T99 PolarHBondContact OD1-N 3.45Å; D96-T99 PolarHBondContact OD1-OG1 3.04Å; T99-E101 PolarHBondContact O-N 3.43Å; T99-E101 WeakPolarHBondContact OG1-CB 3.35Å; T99-E101 PolarHBondContact OG1-N 3.42Å
100	G	92.6	Very high	95.2	Very high	49 Å²	49	52.5 Å²	52.5	51%	0.505	28%	0.276	S	S	.	.			trans	70.8	9.7	-170.7	0	0	0	0	0	113.8	D96	D96-G100 VanDerWaalsContact O-CA 3.27Å; D96-G100 WeakPolarHBondContact O-CA 3.17Å; D96-G100 PolarHBondContact O-N 3.4Å
101	E	95.4	Very high	95.2	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	28%	0.276	S	S	.	.			trans	-67.7	136.4	176.3	-175.1	172.6	-160.2	0	0	110.6	V95 D96 T99 Y103	V95-E101 WeakPolarHBondContact CA-O 3.46Å; D96-E101 PolarHBondContact N-O 3.19Å; T99-E101 PolarHBondContact O-N 3.43Å; T99-E101 WeakPolarHBondContact OG1-CB 3.35Å; T99-E101 PolarHBondContact OG1-N 3.42Å; E101-Y103 HydrophobicContact CB-CE2 3.92Å; E101-Y103 HydrophobicContact CG-CD2 4.41Å; E101-Y103 HydrophobicContact CG-CE2 3.79Å; E101-Y103 PolarHBondContact OE2-OH 2.89Å
102	M	95.5	Very high	95.2	Very high	111 Å²	111	55.9 Å²	55.9	55%	0.547	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.3	178.5	-64.9	-172.8	-71.7	0	0	110.6	V95 L160	V95-M102 HydrophobicContact CG2-CG 4.2Å; M102-L160 HydrophobicContact SD-CD1 4.21Å; M102-L160 HydrophobicContact SD-CD2 3.71Å
103	Y	95	Very high	95.2	Very high	84 Å²	84	56.9 Å²	56.9	33%	0.329	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.2	174.3	-68.2	-97.3	0	0	0	109.4	P93 Y94 D96 E101 E105 G106	P93-Y103 WeakPolarHBondContact CA-O 3.44Å; Y94-Y103 HydrophobicContact CD1-CG 4.31Å; Y94-Y103 HydrophobicContact CD2-CD2 4.3Å; Y94-Y103 VanDerWaalsContact CE1-CB 3.48Å; Y94-Y103 HydrophobicContact CE1-CD1 4.26Å; Y94-Y103 HydrophobicContact CE1-CD2 4.04Å; Y94-Y103 AromaticContact CE1-CG 3.66Å; Y94-Y103 HydrophobicContact CE1-CG 3.66Å; Y94-Y103 AromaticContact CE2-CD2 3.69Å; Y94-Y103 HydrophobicContact CE2-CD2 3.69Å; Y94-Y103 HydrophobicContact CE2-CE2 4.19Å; Y94-Y103 HydrophobicContact CE2-CG 4.19Å; Y94-Y103 AromaticContact CZ-CD2 3.53Å; Y94-Y103 AromaticContact CZ-CG 3.58Å; Y94-Y103 PolarHBondContact N-O 3.18Å; Y94-Y103 VanDerWaalsContact N-O 3.11Å; Y94-Y103 PolarHBondContact O-N 3.5Å; D96-Y103 HydrophobicContact CB-CD2 4.46Å; D96-Y103 HydrophobicContact CB-CE2 3.97Å; E101-Y103 HydrophobicContact CB-CE2 3.92Å; E101-Y103 HydrophobicContact CG-CD2 4.41Å; E101-Y103 HydrophobicContact CG-CE2 3.79Å; E101-Y103 PolarHBondContact OE2-OH 2.89Å; Y103-E105 VanDerWaalsContact C-N 3.27Å; Y103-E105 PolarHBondContact O-N 3.2Å; Y103-G106 WeakPolarHBondContact O-CA 3.43Å; Y103-G106 PolarHBondContact O-N 3.4Å
104	D	92.7	Very high	95.2	Very high	69 Å²	69	61.9 Å²	61.9	37%	0.369	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	46.8	-175.6	-53.7	-42.8	0	0	0	113.7	F92 P93 G106 I111	F92-D104 PolarHBondContact N-OD2 3.08Å; P93-D104 HydrophobicContact CB-CB 4.1Å; P93-D104 VanDerWaalsContact CB-O 3.3Å; P93-D104 WeakPolarHBondContact CB-O 3.31Å; D104-G106 PolarHBondContact O-N 2.72Å; D104-G106 VanDerWaalsContact O-N 3.15Å; D104-I111 HydrophobicContact CB-CG2 4.24Å; D104-I111 WeakPolarHBondContact O-CG2 3.4Å
105	E	90.4	Very high	95.2	Very high	121 Å²	121	65.2 Å²	65.2	57%	0.565	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	5.5	-176.7	-49.3	-169.9	-157.9	0	0	115.4	Y103 L107 L110	Y103-E105 VanDerWaalsContact C-N 3.27Å; Y103-E105 PolarHBondContact O-N 3.2Å; E105-L107 PolarHBondContact O-N 3.28Å; E105-L110 HydrophobicContact CB-CB 3.7Å; E105-L110 HydrophobicContact CB-CD1 3.94Å; E105-L110 HydrophobicContact CB-CG 4.47Å; E105-L110 HydrophobicContact CG-CB 4.45Å; E105-L110 WeakPolarHBondContact OE2-CB 3.19Å
106	G	95.8	Very high	95.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	73	-13.7	169.4	0	0	0	0	0	116.3	Y103 D104 Y157	Y103-G106 WeakPolarHBondContact O-CA 3.43Å; Y103-G106 PolarHBondContact O-N 3.4Å; D104-G106 PolarHBondContact O-N 2.72Å; D104-G106 VanDerWaalsContact O-N 3.15Å; G106-Y157 WeakPolarHBondContact O-CE1 3.45Å
107	L	98.1	Very high	95.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-130.9	140	-175.9	-69.9	171.8	0	0	0	113.8	E105 Q109 L110 Y157 L160 S161 F185	E105-L107 PolarHBondContact O-N 3.28Å; L107-Q109 HydrophobicContact CB-CG 4.34Å; L107-Q109 PolarHBondContact O-N 3.13Å; L107-Q109 VanDerWaalsContact O-N 3.16Å; L107-L110 HydrophobicContact CB-CB 4.47Å; L107-L110 HydrophobicContact CB-CD1 4.07Å; L107-L110 HydrophobicContact CB-CG 4.07Å; L107-L110 HydrophobicContact CD1-CD1 4.11Å; L107-L110 PolarHBondContact O-N 2.93Å; L107-Y157 HydrophobicContact CD2-CD1 4.1Å; L107-L160 HydrophobicContact CD1-CB 4.1Å; L107-L160 HydrophobicContact CD1-CD2 3.88Å; L107-L160 HydrophobicContact CD1-CG 3.59Å; L107-L160 HydrophobicContact CD2-CB 4.48Å; L107-L160 HydrophobicContact CD2-CD2 4.32Å; L107-L160 HydrophobicContact CG-CB 4.49Å; L107-L160 HydrophobicContact CG-CD2 3.76Å; L107-L160 HydrophobicContact CG-CG 4.03Å; L107-S161 WeakPolarHBondContact CD2-OG 3.4Å; L107-F185 HydrophobicContact CD2-CD2 4.26Å; L107-F185 HydrophobicContact CD2-CE2 4.31Å
108	P	98	Very high	95.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.6	-179.9	25.4	-34.2	0	0	0	114.1	P93 L110 W143 F185 A188 A189	P93-P108 HydrophobicContact CG-CB 4.39Å; P108-L110 PolarHBondContact O-N 2.92Å; P108-W143 HydrophobicContact CB-CH2 4.07Å; P108-W143 HydrophobicContact CB-CZ2 4.01Å; P108-W143 HydrophobicContact CG-CH2 4.37Å; P108-W143 HydrophobicContact CG-CZ2 4.31Å; P108-F185 HydrophobicContact CG-CD2 3.93Å; P108-F185 HydrophobicContact CG-CE2 3.76Å; P108-F185 HydrophobicContact CG-CZ 4.43Å; P108-A188 HydrophobicContact CB-CB 4.05Å; P108-A188 HydrophobicContact CG-CB 4.35Å; P108-A189 HydrophobicContact CG-CB 4.2Å
109	Q	97.6	Very high	96.3	Very high	37 Å²	37	62.4 Å²	62.4	17%	0.173	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.5	177.5	63.2	-93.1	27.8	0	0	114.6	L107 S161 V184 A188	L107-Q109 HydrophobicContact CB-CG 4.34Å; L107-Q109 PolarHBondContact O-N 3.13Å; L107-Q109 VanDerWaalsContact O-N 3.16Å; Q109-S161 PolarHBondContact NE2-OG 3.49Å; Q109-V184 HydrophobicContact CB-CG1 3.54Å; Q109-V184 HydrophobicContact CG-CG1 3.78Å; Q109-A188 HydrophobicContact CB-CB 3.6Å
110	L	97.1	Very high	96.5	Very high	41 Å²	41	57.8 Å²	57.8	22%	0.215	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-22.4	-175.7	-67.4	-173.4	0	0	0	113.4	E105 L107 P108 T164	E105-L110 HydrophobicContact CB-CB 3.7Å; E105-L110 HydrophobicContact CB-CD1 3.94Å; E105-L110 HydrophobicContact CB-CG 4.47Å; E105-L110 HydrophobicContact CG-CB 4.45Å; E105-L110 WeakPolarHBondContact OE2-CB 3.19Å; L107-L110 HydrophobicContact CB-CB 4.47Å; L107-L110 HydrophobicContact CB-CD1 4.07Å; L107-L110 HydrophobicContact CB-CG 4.07Å; L107-L110 HydrophobicContact CD1-CD1 4.11Å; L107-L110 PolarHBondContact O-N 2.93Å; P108-L110 PolarHBondContact O-N 2.92Å; L110-T164 HydrophobicContact CD2-CG2 4.02Å
111	I	96.6	Very high	96.8	Very high	17 Å²	17	57.5 Å²	57.5	9%	0.087	27%	0.269	C	S	.	.	S	Bend	trans	-69.7	155.1	-177.8	70.5	171.8	0	0	0	114.1	P93 D104 F113 H116 Y192	P93-I111 HydrophobicContact CB-CG2 3.59Å; P93-I111 HydrophobicContact CG-CG2 3.55Å; D104-I111 HydrophobicContact CB-CG2 4.24Å; D104-I111 WeakPolarHBondContact O-CG2 3.4Å; I111-F113 HydrophobicContact CD1-CD1 4.27Å; I111-F113 HydrophobicContact CD1-CE1 4Å; I111-F113 HydrophobicContact CD1-CZ 4.21Å; I111-F113 HydrophobicContact CG1-CD2 4.35Å; I111-F113 HydrophobicContact CG1-CE1 4.35Å; I111-F113 HydrophobicContact CG1-CE2 4.13Å; I111-F113 HydrophobicContact CG1-CZ 4.14Å; I111-F113 PolarHBondContact O-N 2.68Å; I111-H116 HydrophobicContact CD1-CB 4.22Å; I111-Y192 HydrophobicContact CD1-CD2 3.54Å; I111-Y192 HydrophobicContact CD1-CE2 3.66Å
112	D	97.4	Very high	97	Very high	89 Å²	89	57.1 Å²	57.1	48%	0.476	27%	0.271	S	S	.	.			trans	-80.9	111.2	164.1	-165.7	-30.5	0	0	0	110.7	Q114 E115 H116	D112-Q114 VanDerWaalsContact C-N 3.25Å; D112-Q114 PolarHBondContact O-N 3.32Å; D112-Q114 WeakPolarHBondContact OD1-CA 3.26Å; D112-Q114 VanDerWaalsContact OD1-CB 3.3Å; D112-Q114 WeakPolarHBondContact OD1-CB 3.35Å; D112-Q114 PolarHBondContact OD1-N 3.22Å; D112-E115 HydrophobicContact CB-CB 4.02Å; D112-E115 PolarHBondContact O-N 3.21Å; D112-H116 PolarHBondContact O-N 2.83Å
113	F	96.9	Very high	97.1	Very high	22 Å²	22	52.9 Å²	52.9	10%	0.096	25%	0.25	C	S	.	.	H	α-helix	trans	-72.4	-14.1	179.1	-77.2	-79.8	0	0	0	114.7	I111 R117 R191 Y192 R195	I111-F113 HydrophobicContact CD1-CD1 4.27Å; I111-F113 HydrophobicContact CD1-CE1 4Å; I111-F113 HydrophobicContact CD1-CZ 4.21Å; I111-F113 HydrophobicContact CG1-CD2 4.35Å; I111-F113 HydrophobicContact CG1-CE1 4.35Å; I111-F113 HydrophobicContact CG1-CE2 4.13Å; I111-F113 HydrophobicContact CG1-CZ 4.14Å; I111-F113 PolarHBondContact O-N 2.68Å; F113-R117 WeakPolarHBondContact O-CB 3.32Å; F113-R117 PolarHBondContact O-N 3.29Å; F113-R191 HydrophobicContact CD1-CG 4.2Å; F113-R191 HydrophobicContact CE1-CB 4.31Å; F113-R191 HydrophobicContact CE1-CG 3.85Å; F113-R191 HydrophobicContact CE2-CG 4.37Å; F113-R191 HydrophobicContact CZ-CB 4.14Å; F113-R191 HydrophobicContact CZ-CG 3.94Å; F113-Y192 HydrophobicContact CE1-CD2 4.13Å; F113-R195 VanDerWaalsContact CB-NH1 3.27Å
114	Q	97.9	Very high	97.3	Very high	105 Å²	105	48.9 Å²	48.9	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-74.7	-48.7	169.5	173.7	165.6	-2	0	0	109.7	D112 R117 E118	D112-Q114 VanDerWaalsContact C-N 3.25Å; D112-Q114 PolarHBondContact O-N 3.32Å; D112-Q114 WeakPolarHBondContact OD1-CA 3.26Å; D112-Q114 VanDerWaalsContact OD1-CB 3.3Å; D112-Q114 WeakPolarHBondContact OD1-CB 3.35Å; D112-Q114 PolarHBondContact OD1-N 3.22Å; Q114-R117 WeakPolarHBondContact O-CB 3.28Å; Q114-R117 PolarHBondContact O-N 2.93Å; Q114-R117 VanDerWaalsContact O-N 3.13Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.18Å; Q114-E118 PolarHBondContact NE2-OE1 3.32Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 3.47Å
115	E	97.9	Very high	97.6	Very high	108 Å²	108	50.5 Å²	50.5	51%	0.505	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-45	178.1	-166.5	176.8	-176.2	0	0	111.4	L91 D112 R117 E118 Q119	L91-E115 HydrophobicContact CD1-CB 3.81Å; L91-E115 HydrophobicContact CD1-CG 3.6Å; L91-E115 HydrophobicContact CG-CG 4.38Å; D112-E115 HydrophobicContact CB-CB 4.02Å; D112-E115 PolarHBondContact O-N 3.21Å; E115-R117 PolarHBondContact O-N 3.1Å; E115-E118 PolarHBondContact O-N 2.86Å; E115-Q119 WeakPolarHBondContact O-CB 3.34Å; E115-Q119 PolarHBondContact O-N 2.9Å
116	H	98.1	Very high	98	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-53.5	-42.2	171.9	165.2	78.4	0	0	0	112.3	L91 I111 D112 A120 Y192 S196	L91-H116 HydrophobicContact CB-CB 4.14Å; L91-H116 PolarHBondContact N-ND1 2.97Å; L91-H116 PolarHBondContact O-ND1 3.09Å; I111-H116 HydrophobicContact CD1-CB 4.22Å; D112-H116 PolarHBondContact O-N 2.83Å; H116-A120 WeakPolarHBondContact O-CB 3.37Å; H116-A120 PolarHBondContact O-N 3.46Å; H116-Y192 AromaticContact CE1-CE2 3.34Å; H116-Y192 WeakPolarHBondContact CE1-CE2 3.43Å; H116-Y192 AromaticContact CE1-CZ 3.29Å; H116-Y192 PolarHBondContact CE1-OH 3.44Å; H116-Y192 AromaticContact CG-CE2 4Å; H116-Y192 AromaticContact ND1-CE2 3.31Å; H116-Y192 VanDerWaalsContact ND1-CE2 3.31Å; H116-Y192 WeakPolarHBondContact ND1-CE2 3.39Å; H116-Y192 AromaticContact ND1-CZ 3.61Å; H116-Y192 PolarHBondContact ND1-OH 3.4Å; H116-Y192 AromaticContact NE2-CE2 3.98Å; H116-S196 PolarHBondContact NE2-OG 3.12Å
117	R	98.6	Very high	98.1	Very high	93 Å²	93	51.9 Å²	51.9	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-66.9	-47.7	179.3	178.4	-172.4	68.1	-143.7	-7.9	111.1	F113 Q114 E115 A120 E121 V199	F113-R117 WeakPolarHBondContact O-CB 3.32Å; F113-R117 PolarHBondContact O-N 3.29Å; Q114-R117 WeakPolarHBondContact O-CB 3.28Å; Q114-R117 PolarHBondContact O-N 2.93Å; Q114-R117 VanDerWaalsContact O-N 3.13Å; E115-R117 PolarHBondContact O-N 3.1Å; R117-A120 PolarHBondContact O-N 3.23Å; R117-E121 HydrophobicContact CG-CG 4.4Å; R117-E121 IonicContact NE-OE1 3.63Å; R117-E121 VanDerWaalsContact O-CG 3.24Å; R117-E121 WeakPolarHBondContact O-CG 3.38Å; R117-E121 PolarHBondContact O-N 3.13Å; R117-V199 HydrophobicContact CG-CG2 3.82Å
118	E	98.6	Very high	98.1	Very high	85 Å²	85	51.9 Å²	51.9	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-45.9	-178.5	-71.3	168.4	-167.1	0	0	110.4	Q114 E115 A120 E121 D122	Q114-E118 WeakPolarHBondContact CG-OE1 3.18Å; Q114-E118 PolarHBondContact NE2-OE1 3.32Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 3.47Å; E115-E118 PolarHBondContact O-N 2.86Å; E118-A120 PolarHBondContact O-N 3.07Å; E118-E121 WeakPolarHBondContact O-CB 3.45Å; E118-E121 PolarHBondContact O-N 3.3Å; E118-D122 PolarHBondContact O-N 3.32Å; E118-D122 VanDerWaalsContact O-N 3.12Å
119	Q	98.6	Very high	98.1	Very high	74 Å²	74	55.2 Å²	55.2	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-41.2	175.1	-176	61.2	48.4	0	0	112.4	E115 E121 D122 D123	E115-Q119 WeakPolarHBondContact O-CB 3.34Å; E115-Q119 PolarHBondContact O-N 2.9Å; Q119-E121 VanDerWaalsContact C-N 3.32Å; Q119-E121 PolarHBondContact O-N 3.12Å; Q119-D122 PolarHBondContact O-N 2.94Å; Q119-D123 PolarHBondContact NE2-OD1 3.49Å; Q119-D123 PolarHBondContact NE2-OD2 2.98Å; Q119-D123 WeakPolarHBondContact O-CB 3.48Å; Q119-D123 VanDerWaalsContact O-CG 3.23Å; Q119-D123 PolarHBondContact O-N 3.43Å
120	A	98.7	Very high	98	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-35.5	176.6	0	0	0	0	0	112.3	F89 H116 R117 E118 I124 V199	F89-A120 HydrophobicContact CD1-CB 4.29Å; F89-A120 HydrophobicContact CE1-CB 3.88Å; F89-A120 HydrophobicContact CE2-CB 4.46Å; F89-A120 HydrophobicContact CZ-CB 3.99Å; H116-A120 WeakPolarHBondContact O-CB 3.37Å; H116-A120 PolarHBondContact O-N 3.46Å; R117-A120 PolarHBondContact O-N 3.23Å; E118-A120 PolarHBondContact O-N 3.07Å; A120-I124 WeakPolarHBondContact O-CB 3.44Å; A120-I124 VanDerWaalsContact O-CD1 3.27Å; A120-I124 WeakPolarHBondContact O-CD1 3.23Å; A120-I124 WeakPolarHBondContact O-CG1 3.34Å; A120-I124 PolarHBondContact O-N 3.28Å; A120-V199 HydrophobicContact CB-CG1 4.4Å
121	E	98.8	Very high	97.9	Very high	43 Å²	43	58.5 Å²	58.5	20%	0.201	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-49.3	173.3	-72	171.7	175.8	0	0	110.6	R117 E118 Q119 I124 E125 V199 R202 L203	R117-E121 HydrophobicContact CG-CG 4.4Å; R117-E121 IonicContact NE-OE1 3.63Å; R117-E121 VanDerWaalsContact O-CG 3.24Å; R117-E121 WeakPolarHBondContact O-CG 3.38Å; R117-E121 PolarHBondContact O-N 3.13Å; E118-E121 WeakPolarHBondContact O-CB 3.45Å; E118-E121 PolarHBondContact O-N 3.3Å; Q119-E121 VanDerWaalsContact C-N 3.32Å; Q119-E121 PolarHBondContact O-N 3.12Å; E121-I124 PolarHBondContact O-N 3.01Å; E121-E125 WeakPolarHBondContact O-CG 3.36Å; E121-E125 PolarHBondContact O-N 3.15Å; E121-V199 HydrophobicContact CG-CG1 3.82Å; E121-R202 VanDerWaalsContact CD-NH2 3.29Å; E121-R202 VanDerWaalsContact CG-NH2 3.35Å; E121-R202 IonicContact OE1-CZ 2.6Å; E121-R202 VanDerWaalsContact OE1-CZ 3.26Å; E121-R202 IonicContact OE1-NH1 3.48Å; E121-R202 PolarHBondContact OE1-NH1 3.49Å; E121-R202 IonicContact OE1-NH2 3.26Å; E121-R202 PolarHBondContact OE1-NH2 2.76Å; E121-L203 HydrophobicContact CB-CD1 4.1Å; E121-L203 HydrophobicContact CG-CD1 3.98Å
122	D	98.7	Very high	97.8	Very high	99 Å²	99	62 Å²	62	53%	0.529	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-44.3	177.6	-72	-15.9	0	0	0	112.3	E118 Q119 E125 Y126	E118-D122 PolarHBondContact O-N 3.32Å; E118-D122 VanDerWaalsContact O-N 3.12Å; Q119-D122 PolarHBondContact O-N 2.94Å; D122-E125 PolarHBondContact O-N 3.24Å; D122-Y126 WeakPolarHBondContact O-CB 3.48Å; D122-Y126 PolarHBondContact O-N 2.95Å
123	D	98.7	Very high	97.7	Very high	22 Å²	22	61.8 Å²	61.8	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-43.8	178.7	-70.9	-33.1	0	0	0	111.6	R88 F89 G90 Q119 E125 Y126 Y127	R88-D123 WeakPolarHBondContact O-CB 3.21Å; F89-D123 VanDerWaalsContact CA-OD2 3.23Å; F89-D123 WeakPolarHBondContact CA-OD2 3.49Å; F89-D123 PolarHBondContact N-OD2 3.45Å; G90-D123 PolarHBondContact N-OD2 3.49Å; Q119-D123 PolarHBondContact NE2-OD1 3.49Å; Q119-D123 PolarHBondContact NE2-OD2 2.98Å; Q119-D123 WeakPolarHBondContact O-CB 3.48Å; Q119-D123 VanDerWaalsContact O-CG 3.23Å; Q119-D123 PolarHBondContact O-N 3.43Å; D123-E125 VanDerWaalsContact C-N 3.31Å; D123-E125 PolarHBondContact O-N 3.38Å; D123-Y126 PolarHBondContact O-N 2.72Å; D123-Y127 HydrophobicContact CB-CD2 4.44Å; D123-Y127 WeakPolarHBondContact O-CD2 3.46Å; D123-Y127 PolarHBondContact O-N 2.68Å
124	I	98.8	Very high	97.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-42.3	176.2	-70.5	162.1	0	0	0	110.6	F84 F89 A120 E121 Y126 I128 V199 L203 R204 W209	F84-I124 HydrophobicContact CZ-CG1 4.48Å; F89-I124 HydrophobicContact CD2-CG1 4.31Å; F89-I124 HydrophobicContact CE2-CD1 3.73Å; F89-I124 HydrophobicContact CE2-CG1 3.76Å; F89-I124 HydrophobicContact CZ-CD1 4.21Å; A120-I124 WeakPolarHBondContact O-CB 3.44Å; A120-I124 VanDerWaalsContact O-CD1 3.27Å; A120-I124 WeakPolarHBondContact O-CD1 3.23Å; A120-I124 WeakPolarHBondContact O-CG1 3.34Å; A120-I124 PolarHBondContact O-N 3.28Å; E121-I124 PolarHBondContact O-N 3.01Å; I124-Y126 VanDerWaalsContact C-N 3.32Å; I124-Y126 PolarHBondContact O-N 3.31Å; I124-I128 CarbonylContact O-C 3.37Å; I124-I128 WeakPolarHBondContact O-CA 3.23Å; I124-I128 WeakPolarHBondContact O-CB 3.4Å; I124-I128 PolarHBondContact O-N 2.78Å; I124-V199 HydrophobicContact CD1-CG1 3.76Å; I124-L203 HydrophobicContact CB-CD1 4.07Å; I124-L203 HydrophobicContact CD1-CD1 4.09Å; I124-L203 HydrophobicContact CG2-CB 4.03Å; I124-L203 HydrophobicContact CG2-CD1 3.96Å; I124-R204 HydrophobicContact CG2-CG 3.72Å; I124-W209 HydrophobicContact CD1-CH2 4.12Å; I124-W209 HydrophobicContact CG1-CH2 3.96Å
125	E	98.4	Very high	97.8	Very high	104 Å²	104	55.8 Å²	55.8	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-38.2	176.9	-74.1	-175.3	-178.4	0	0	112.5	E121 D122 D123 P129	E121-E125 WeakPolarHBondContact O-CG 3.36Å; E121-E125 PolarHBondContact O-N 3.15Å; D122-E125 PolarHBondContact O-N 3.24Å; D123-E125 VanDerWaalsContact C-N 3.31Å; D123-E125 PolarHBondContact O-N 3.38Å; E125-P129 WeakPolarHBondContact O-CA 3.3Å
126	Y	98.3	Very high	97.8	Very high	132 Å²	132	50.7 Å²	50.7	52%	0.518	25%	0.247	S	C	.	.	H	α-helix	trans	-69.1	-51.4	177.2	177.4	-99.2	0	0	0	112.9	T77 D122 D123 I124	T77-Y126 HydrophobicContact CG2-CD1 3.98Å; T77-Y126 HydrophobicContact CG2-CE1 3.51Å; T77-Y126 HydrophobicContact CG2-CE2 4.39Å; D122-Y126 WeakPolarHBondContact O-CB 3.48Å; D122-Y126 PolarHBondContact O-N 2.95Å; D123-Y126 PolarHBondContact O-N 2.72Å; I124-Y126 VanDerWaalsContact C-N 3.32Å; I124-Y126 PolarHBondContact O-N 3.31Å
127	Y	98.4	Very high	97.9	Very high	18 Å²	18	50.6 Å²	50.6	7%	0.071	25%	0.246	C	C	.	.	H	α-helix	trans	-80.3	-30.2	-174.2	-72	-71.3	0	0	0	113.2	K74 T77 N78 F84 R88 D123	K74-Y127 WeakPolarHBondContact O-CE1 3.14Å; T77-Y127 HydrophobicContact CG2-CD1 4.1Å; N78-Y127 PolarHBondContact N-O 2.92Å; F84-Y127 HydrophobicContact CD1-CD2 4.08Å; F84-Y127 AromaticContact CE1-CD2 3.66Å; F84-Y127 HydrophobicContact CE1-CD2 3.66Å; F84-Y127 AromaticContact CE1-CG 3.97Å; F84-Y127 HydrophobicContact CE1-CG 3.97Å; R88-Y127 HydrophobicContact CB-CE2 3.69Å; R88-Y127 WeakPolarHBondContact CD-OH 3.44Å; R88-Y127 HydrophobicContact CG-CE2 4.27Å; R88-Y127 VanDerWaalsContact CG-OH 3.32Å; R88-Y127 WeakPolarHBondContact CG-OH 3.5Å; D123-Y127 HydrophobicContact CB-CD2 4.44Å; D123-Y127 WeakPolarHBondContact O-CD2 3.46Å; D123-Y127 PolarHBondContact O-N 2.68Å
128	I	98.3	Very high	97.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.			trans	-127.3	73.9	-179.8	-49	179.2	0	0	0	107.9	S82 F84 I124 E130 A136 R204 R207 W209	S82-I128 WeakPolarHBondContact OG-CG1 3.33Å; F84-I128 HydrophobicContact CE2-CD1 3.96Å; F84-I128 HydrophobicContact CZ-CD1 3.85Å; F84-I128 HydrophobicContact CZ-CG1 4.1Å; I124-I128 CarbonylContact O-C 3.37Å; I124-I128 WeakPolarHBondContact O-CA 3.23Å; I124-I128 WeakPolarHBondContact O-CB 3.4Å; I124-I128 PolarHBondContact O-N 2.78Å; I128-E130 VanDerWaalsContact CG2-O 3.3Å; I128-E130 WeakPolarHBondContact CG2-O 3.46Å; I128-E130 PolarHBondContact O-N 3.04Å; I128-A136 HydrophobicContact CD1-CB 4.24Å; I128-R204 HydrophobicContact CB-CG 4.28Å; I128-R204 HydrophobicContact CG2-CG 3.9Å; I128-R204 PolarHBondContact O-NE 3.02Å; I128-R204 PolarHBondContact O-NH2 3.11Å; I128-R207 HydrophobicContact CD1-CG 4.29Å; I128-R207 HydrophobicContact CG2-CG 4.36Å; I128-W209 HydrophobicContact CD1-CH2 4.33Å; I128-W209 HydrophobicContact CD1-CZ2 4.29Å
129	P	97.5	Very high	97.9	Very high	69 Å²	69	42.7 Å²	42.7	45%	0.448	21%	0.214	S	C	.	.			trans	-65.9	-28.2	-179.1	25.8	-34.4	0	0	0	112.7	N78 E125	N78-P129 HydrophobicContact CB-CG 3.72Å; E125-P129 WeakPolarHBondContact O-CA 3.3Å
130	E	95.7	Very high	97.8	Very high	97 Å²	97	39.4 Å²	39.4	45%	0.453	20%	0.198	S	C	.	.	S	Bend	trans	-116.3	135.7	180	-61.2	-176.9	-168.7	0	0	112.2	I128 Q132	I128-E130 VanDerWaalsContact CG2-O 3.3Å; I128-E130 WeakPolarHBondContact CG2-O 3.46Å; I128-E130 PolarHBondContact O-N 3.04Å; E130-Q132 HydrophobicContact CB-CG 4.06Å; E130-Q132 PolarHBondContact O-N 3.21Å; E130-Q132 PolarHBondContact OE2-NE2 3.27Å
131	D	94.6	Very high	97.7	Very high	51 Å²	51	43.4 Å²	43.4	27%	0.273	22%	0.217	S	C	.	.			trans	-80.4	58.3	177.3	-173	37.4	0	0	0	112.7	R204 P205 N206	D131-R204 WeakPolarHBondContact OD1-CA 3.28Å; D131-P205 WeakPolarHBondContact OD2-CD 3.44Å; D131-P205 WeakPolarHBondContact OD2-CG 3.23Å; D131-N206 PolarHBondContact O-ND2 3.43Å; D131-N206 VanDerWaalsContact O-ND2 3.13Å; D131-N206 WeakPolarHBondContact OD1-CB 3.3Å; D131-N206 PolarHBondContact OD1-N 3.36Å; D131-N206 PolarHBondContact OD2-ND2 2.7Å
132	Q	94.3	Very high	97.6	Very high	90 Å²	90	43.5 Å²	43.5	42%	0.421	22%	0.217	S	C	.	.			trans	-83.4	151.8	172.9	-60.1	-171.6	2.1	0	0	111.2	E130 G134 R207	E130-Q132 HydrophobicContact CB-CG 4.06Å; E130-Q132 PolarHBondContact O-N 3.21Å; E130-Q132 PolarHBondContact OE2-NE2 3.27Å; Q132-G134 PolarHBondContact O-N 3.09Å; Q132-R207 WeakPolarHBondContact O-CD 3.45Å; Q132-R207 PolarHBondContact O-NE 2.85Å
133	P	96.3	Very high	97.6	Very high	85 Å²	85	38.8 Å²	38.8	55%	0.552	19%	0.192	S	C	*	.	S	Bend	trans	-52.5	133	171.3	-26.3	35.3	0	0	0	112.1	V36 N206	V36-P133 HydrophobicContact CG1-CB 3.76Å; P133-N206 WeakPolarHBondContact CA-O 3.21Å
134	G	97.8	Very high	97.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-177.5	-175.1	0	0	0	0	0	112.5	S80 Q132 R207 L208	S80-G134 CarbonylContact O-C 3.4Å; S80-G134 WeakPolarHBondContact O-CA 3.26Å; Q132-G134 PolarHBondContact O-N 3.09Å; G134-R207 CarbonylContact O-C 3.53Å; G134-R207 WeakPolarHBondContact O-CA 3.48Å; G134-L208 PolarHBondContact O-N 2.84Å
135	L	98.8	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	144.3	176.9	-50.3	-177.1	0	0	0	110	V36 M45 S80 I81 S82 I137 R207 L208 Y255 Y297 I333	V36-L135 HydrophobicContact CG2-CD2 3.65Å; M45-L135 HydrophobicContact CE-CD1 3.95Å; M45-L135 HydrophobicContact SD-CD1 3.46Å; M45-L135 WeakPolarHBondContact SD-CD1 3.46Å; M45-L135 HydrophobicContact SD-CG 4.44Å; S80-L135 PolarHBondContact O-N 3.39Å; I81-L135 HydrophobicContact CG1-CD1 4.5Å; I81-L135 HydrophobicContact CG2-CB 4.37Å; S82-L135 PolarHBondContact N-O 3.49Å; L135-I137 HydrophobicContact CB-CD1 3.66Å; L135-R207 PolarHBondContact O-NH1 3.42Å; L135-L208 HydrophobicContact CD2-CB 3.97Å; L135-L208 HydrophobicContact CD2-CD1 3.87Å; L135-L208 HydrophobicContact CD2-CG 4.29Å; L135-Y255 HydrophobicContact CD1-CE1 4.21Å; L135-Y297 HydrophobicContact CD1-CG 4.41Å; L135-Y297 HydrophobicContact CD2-CD2 4.14Å; L135-Y297 HydrophobicContact CD2-CE2 3.93Å; L135-I333 HydrophobicContact CD1-CD1 3.75Å; L135-I333 HydrophobicContact CD1-CG1 4.22Å
136	A	98.7	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	108.1	174.7	0	0	0	0	0	109.1	S82 F84 I128 R207 L208 W209 G210	S82-A136 CarbonylContact O-C 3.52Å; S82-A136 WeakPolarHBondContact O-CA 3.35Å; F84-A136 HydrophobicContact CE2-CB 4.43Å; I128-A136 HydrophobicContact CD1-CB 4.24Å; A136-R207 HydrophobicContact CB-CB 4.02Å; A136-L208 PolarHBondContact N-O 3.39Å; A136-W209 HydrophobicContact CB-CD2 3.52Å; A136-W209 HydrophobicContact CB-CE3 3.56Å; A136-W209 HydrophobicContact CB-CG 4.18Å; A136-W209 HydrophobicContact CB-CH2 3.74Å; A136-W209 HydrophobicContact CB-CZ2 3.73Å; A136-W209 HydrophobicContact CB-CZ3 3.67Å; A136-W209 WeakPolarHBondContact O-CA 3.2Å; A136-G210 PolarHBondContact O-N 2.74Å
137	I	98.8	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.2	-170.1	-56.4	92.7	0	0	0	108.9	I81 S82 I83 F84 L135 Y255 Y299	I81-I137 HydrophobicContact CG2-CD1 3.57Å; S82-I137 PolarHBondContact O-N 3.44Å; I83-I137 WeakPolarHBondContact CA-O 3.49Å; I83-I137 HydrophobicContact CG1-CB 4.41Å; F84-I137 PolarHBondContact N-O 2.83Å; L135-I137 HydrophobicContact CB-CD1 3.66Å; I137-Y255 HydrophobicContact CD1-CE1 4.38Å; I137-Y255 HydrophobicContact CG1-CD1 3.99Å; I137-Y255 HydrophobicContact CG1-CD2 4.08Å; I137-Y255 HydrophobicContact CG1-CE1 3.81Å; I137-Y255 HydrophobicContact CG1-CE2 3.9Å; I137-Y255 HydrophobicContact CG1-CG 4.12Å; I137-Y255 HydrophobicContact CG2-CD2 4.36Å; I137-Y255 HydrophobicContact CG2-CG 4.44Å; I137-Y299 HydrophobicContact CG1-CE2 4.24Å; I137-Y299 WeakPolarHBondContact CG1-OH 3.49Å; I137-Y299 HydrophobicContact CG2-CE2 4.22Å
138	L	98.8	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113	171.2	-58.5	178.4	0	0	0	108.6	F84 F89 F140 L197 W209 G210 Y211 Y212	F84-L138 HydrophobicContact CB-CD2 3.91Å; F84-L138 HydrophobicContact CD2-CD2 4.06Å; F84-L138 HydrophobicContact CG-CD2 4.19Å; F89-L138 HydrophobicContact CD1-CD2 4.01Å; F89-L138 HydrophobicContact CD2-CD2 3.56Å; F89-L138 HydrophobicContact CE1-CD1 4.48Å; F89-L138 HydrophobicContact CE1-CD2 4.09Å; F89-L138 HydrophobicContact CE2-CD2 3.6Å; F89-L138 HydrophobicContact CG-CD2 3.78Å; F89-L138 HydrophobicContact CZ-CD1 4.4Å; F89-L138 HydrophobicContact CZ-CD2 3.88Å; L138-F140 HydrophobicContact CB-CD2 4.4Å; L138-F140 HydrophobicContact CB-CE2 4.01Å; L138-F140 HydrophobicContact CB-CZ 4.13Å; L138-F140 HydrophobicContact CD1-CE2 4.36Å; L138-F140 HydrophobicContact CD2-CE2 4.38Å; L138-F140 HydrophobicContact CD2-CZ 4.02Å; L138-F140 HydrophobicContact CG-CE2 4.48Å; L138-L197 HydrophobicContact CD1-CD2 4.15Å; L138-W209 HydrophobicContact CD2-CZ3 4.09Å; L138-G210 PolarHBondContact N-O 3.37Å; L138-Y211 HydrophobicContact CB-CD1 3.58Å; L138-Y211 HydrophobicContact CB-CE1 3.48Å; L138-Y211 VanDerWaalsContact CB-CE1 3.48Å; L138-Y211 HydrophobicContact CB-CG 4.21Å; L138-Y211 HydrophobicContact CD1-CD1 4.46Å; L138-Y211 HydrophobicContact CD1-CE1 3.74Å; L138-Y211 HydrophobicContact CD1-CE2 3.92Å; L138-Y211 VanDerWaalsContact CD1-CZ 3.42Å; L138-Y211 WeakPolarHBondContact CD1-OH 3.15Å; L138-Y211 HydrophobicContact CG-CE1 4.26Å; L138-Y211 WeakPolarHBondContact O-CA 3.18Å; L138-Y211 WeakPolarHBondContact O-CD1 3.49Å; L138-Y212 PolarHBondContact O-N 2.92Å
139	D	98.3	Very high	97.5	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.064	17%	0.165	C	C	.	.			trans	-105.3	78.6	-175.5	-169.4	9.5	0	0	0	110.8	I83 F84 Y85 E141 Y212	I83-D139 HydrophobicContact CD1-CB 4Å; I83-D139 HydrophobicContact CG1-CB 3.92Å; F84-D139 PolarHBondContact O-N 3.34Å; Y85-D139 HydrophobicContact CD1-CB 4.23Å; Y85-D139 HydrophobicContact CE1-CB 4.41Å; Y85-D139 WeakPolarHBondContact CE1-OD2 3.36Å; D139-E141 WeakPolarHBondContact OD1-CG 3.19Å; D139-Y212 WeakPolarHBondContact OD1-CD1 3.42Å
140	F	96.9	Very high	97.5	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.018	14%	0.144	C	C	.	.			trans	-117	96.3	-176.5	-57.9	-21	0	0	0	109.9	T86 F89 F92 L138 Y192 Y211	T86-F140 HydrophobicContact CG2-CD1 4.29Å; F89-F140 HydrophobicContact CB-CE1 4.31Å; F89-F140 HydrophobicContact CB-CZ 3.85Å; F89-F140 HydrophobicContact CD1-CE2 4.16Å; F89-F140 AromaticContact CD1-CZ 3.68Å; F89-F140 HydrophobicContact CD1-CZ 3.68Å; F89-F140 AromaticContact CG-CZ 3.97Å; F89-F140 HydrophobicContact CG-CZ 3.97Å; F92-F140 HydrophobicContact CD2-CB 4.16Å; F92-F140 HydrophobicContact CD2-CD1 4.17Å; F92-F140 AromaticContact CD2-CD2 3.69Å; F92-F140 HydrophobicContact CD2-CD2 3.69Å; F92-F140 HydrophobicContact CD2-CE2 4.23Å; F92-F140 AromaticContact CD2-CG 3.74Å; F92-F140 HydrophobicContact CD2-CG 3.74Å; F92-F140 HydrophobicContact CE2-CB 3.52Å; F92-F140 HydrophobicContact CE2-CD1 4.38Å; F92-F140 AromaticContact CE2-CD2 3.75Å; F92-F140 HydrophobicContact CE2-CD2 3.75Å; F92-F140 AromaticContact CE2-CG 3.63Å; F92-F140 HydrophobicContact CE2-CG 3.63Å; F92-F140 HydrophobicContact CG-CD1 4.41Å; F92-F140 HydrophobicContact CG-CG 4.4Å; F92-F140 HydrophobicContact CZ-CB 3.73Å; F92-F140 HydrophobicContact CZ-CG 4.2Å; L138-F140 HydrophobicContact CB-CD2 4.4Å; L138-F140 HydrophobicContact CB-CE2 4.01Å; L138-F140 HydrophobicContact CB-CZ 4.13Å; L138-F140 HydrophobicContact CD1-CE2 4.36Å; L138-F140 HydrophobicContact CD2-CE2 4.38Å; L138-F140 HydrophobicContact CD2-CZ 4.02Å; L138-F140 HydrophobicContact CG-CE2 4.48Å; F140-Y192 AromaticContact CD2-CE1 3.8Å; F140-Y192 HydrophobicContact CD2-CE1 3.8Å; F140-Y192 AromaticContact CE2-CE1 3.69Å; F140-Y192 HydrophobicContact CE2-CE1 3.69Å; F140-Y211 HydrophobicContact CD2-CD1 4.35Å; F140-Y211 AromaticContact CD2-CE1 3.55Å; F140-Y211 HydrophobicContact CD2-CE1 3.55Å; F140-Y211 AromaticContact CE2-CE1 3.94Å; F140-Y211 HydrophobicContact CE2-CE1 3.94Å; F140-Y211 HydrophobicContact CG-CE1 4.36Å
141	E	96.9	Very high	97.5	Very high	84 Å²	84	29.7 Å²	29.7	39%	0.393	15%	0.145	S	C	.	.			trans	-101.7	-10	-174	-58.3	-163.8	-116.1	0	0	113.6	D139 W143 K154 Y212	D139-E141 WeakPolarHBondContact OD1-CG 3.19Å; E141-W143 PolarHBondContact O-N 2.97Å; E141-K154 WeakPolarHBondContact O-CE 3.3Å; E141-K154 PolarHBondContact O-NZ 3.5Å; E141-Y212 HydrophobicContact CG-CD1 4.14Å; E141-Y212 HydrophobicContact CG-CE1 4.21Å; E141-Y212 WeakPolarHBondContact OE1-CE1 3.28Å
142	E	97.1	Very high	97.5	Very high	45 Å²	45	29.7 Å²	29.7	21%	0.21	16%	0.157	C	C	.	.	S	Bend	trans	-64.8	-39.3	-168.1	-56.3	-52.3	146.6	0	0	113.4	T86 F92 Y94 K154 Y157	T86-E142 HydrophobicContact CG2-CG 4.01Å; F92-E142 HydrophobicContact CE1-CB 3.72Å; F92-E142 HydrophobicContact CE1-CG 3.64Å; F92-E142 HydrophobicContact CZ-CB 4.08Å; F92-E142 HydrophobicContact CZ-CG 4.38Å; Y94-E142 HydrophobicContact CD2-CG 4.09Å; Y94-E142 HydrophobicContact CG-CG 3.98Å; E142-K154 WeakPolarHBondContact O-CD 3.49Å; E142-K154 WeakPolarHBondContact O-CE 3.47Å; E142-K154 WeakPolarHBondContact O-CG 3.39Å; E142-K154 PolarHBondContact O-NZ 3.46Å; E142-Y157 WeakPolarHBondContact CB-OH 3.39Å; E142-Y157 WeakPolarHBondContact O-CE2 3.33Å
143	W	97.8	Very high	97.6	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.161	C	C	.	.			trans	-140.1	157.2	172.6	48.3	-97.1	0	0	0	111.2	F92 P93 P108 E141 N150 Y157 F185 A189 Y192 F193	F92-W143 HydrophobicContact CD2-CZ2 4.07Å; F92-W143 AromaticContact CE1-NE1 3.92Å; F92-W143 AromaticContact CE2-CE2 3.58Å; F92-W143 HydrophobicContact CE2-CH2 4.09Å; F92-W143 AromaticContact CE2-CZ2 3.33Å; F92-W143 HydrophobicContact CE2-CZ2 3.33Å; F92-W143 AromaticContact CE2-NE1 3.75Å; F92-W143 AromaticContact CZ-CD1 3.97Å; F92-W143 HydrophobicContact CZ-CD2 4.33Å; F92-W143 AromaticContact CZ-CE2 3.58Å; F92-W143 AromaticContact CZ-CZ2 3.86Å; F92-W143 HydrophobicContact CZ-CZ2 3.86Å; F92-W143 AromaticContact CZ-NE1 3.33Å; F92-W143 VanDerWaalsContact CZ-NE1 3.33Å; P93-W143 HydrophobicContact CG-CZ2 4.39Å; P93-W143 PolarHBondContact O-NE1 3.25Å; P108-W143 HydrophobicContact CB-CH2 4.07Å; P108-W143 HydrophobicContact CB-CZ2 4.01Å; P108-W143 HydrophobicContact CG-CH2 4.37Å; P108-W143 HydrophobicContact CG-CZ2 4.31Å; E141-W143 PolarHBondContact O-N 2.97Å; W143-N150 WeakPolarHBondContact CA-OD1 3.28Å; W143-Y157 HydrophobicContact CB-CD1 4.11Å; W143-Y157 HydrophobicContact CB-CD2 3.86Å; W143-Y157 HydrophobicContact CB-CE1 4.22Å; W143-Y157 HydrophobicContact CB-CE2 4.01Å; W143-Y157 HydrophobicContact CB-CG 3.93Å; W143-Y157 AromaticContact CD1-CE1 3.57Å; W143-Y157 AromaticContact CD1-CZ 3.9Å; W143-Y157 HydrophobicContact CG-CD1 4.34Å; W143-Y157 HydrophobicContact CG-CE1 4.25Å; W143-F185 HydrophobicContact CB-CZ 4.23Å; W143-F185 HydrophobicContact CE3-CZ 4.3Å; W143-F185 HydrophobicContact CG-CZ 4.49Å; W143-A189 HydrophobicContact CE3-CB 4.17Å; W143-A189 HydrophobicContact CH2-CB 4.32Å; W143-A189 HydrophobicContact CZ3-CB 3.59Å; W143-Y192 AromaticContact CH2-CD1 3.89Å; W143-Y192 HydrophobicContact CH2-CD1 3.89Å; W143-Y192 AromaticContact CH2-CG 3.99Å; W143-Y192 HydrophobicContact CH2-CG 3.99Å; W143-Y192 HydrophobicContact CZ2-CD1 4.35Å; W143-Y192 HydrophobicContact CZ2-CG 4.42Å; W143-F193 HydrophobicContact CE3-CE2 4.27Å; W143-F193 HydrophobicContact CH2-CD2 4.04Å; W143-F193 AromaticContact CH2-CE2 3.68Å; W143-F193 HydrophobicContact CH2-CE2 3.68Å; W143-F193 AromaticContact CZ3-CD2 3.91Å; W143-F193 HydrophobicContact CZ3-CD2 3.91Å; W143-F193 AromaticContact CZ3-CE2 3.36Å; W143-F193 HydrophobicContact CZ3-CE2 3.36Å; W143-F193 HydrophobicContact CZ3-CZ 4.38Å
144	R	98.3	Very high	97.6	Very high	39 Å²	39	25.5 Å²	25.5	15%	0.147	14%	0.138	C	C	.	.			trans	-106.1	145.9	179.7	-64.4	131.6	-178.7	168.5	4.4	110	Q146 R149 N150 F185	R144-Q146 PolarHBondContact O-N 3.49Å; R144-R149 HydrophobicContact CB-CB 3.95Å; R144-R149 WeakPolarHBondContact CD-O 3.42Å; R144-R149 HydrophobicContact CG-CB 4.37Å; R144-R149 PolarHBondContact NH1-O 2.82Å; R144-N150 PolarHBondContact N-OD1 2.88Å; R144-N150 PolarHBondContact O-ND2 3.47Å; R144-F185 WeakPolarHBondContact O-CE1 3.49Å
145	P	98.1	Very high	97.6	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.026	15%	0.152	C	C	.	.	S	Bend	trans	-71.2	-15.3	-174.1	29	-35.4	0	0	0	114.2	A189 F193 Y214 L244 W246	P145-A189 HydrophobicContact CB-CB 4.01Å; P145-F193 HydrophobicContact CG-CE1 4.2Å; P145-F193 HydrophobicContact CG-CZ 4.31Å; P145-Y214 WeakPolarHBondContact CD-OH 3.27Å; P145-Y214 HydrophobicContact CG-CE1 4.35Å; P145-L244 HydrophobicContact CG-CD2 4.18Å; P145-W246 HydrophobicContact CB-CH2 4.06Å; P145-W246 HydrophobicContact CB-CZ2 4.06Å; P145-W246 HydrophobicContact CG-CH2 4.3Å; P145-W246 HydrophobicContact CG-CZ2 4.32Å
146	Q	98.5	Very high	97.5	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.051	17%	0.168	C	C	.	.	S	Bend	trans	-97.8	123.7	173.3	-70.9	169	-70.6	0	0	109.7	R144 V148 R149 N150 R240 E243 L244	R144-Q146 PolarHBondContact O-N 3.49Å; Q146-V148 VanDerWaalsContact C-N 3.25Å; Q146-V148 PolarHBondContact O-N 2.98Å; Q146-R149 HydrophobicContact CB-CB 4.47Å; Q146-R149 HydrophobicContact CB-CG 4.3Å; Q146-R149 PolarHBondContact O-N 3.3Å; Q146-N150 PolarHBondContact O-ND2 2.95Å; Q146-N150 VanDerWaalsContact O-ND2 3.13Å; Q146-R240 PolarHBondContact NE2-O 3.21Å; Q146-E243 PolarHBondContact NE2-OE2 2.98Å; Q146-E243 VanDerWaalsContact NE2-OE2 3.09Å; Q146-L244 HydrophobicContact CG-CD2 3.96Å; Q146-L244 HydrophobicContact CG-CG 4.5Å
147	W	98.6	Very high	97.5	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.038	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-49.1	-47.7	-177.7	176.1	-96.4	0	0	0	112.4	R149 N150 R158 I162 E178 A181 K182 F185 E186	W147-R149 PolarHBondContact O-N 3Å; W147-R149 VanDerWaalsContact O-N 3.14Å; W147-N150 WeakPolarHBondContact O-CB 3.36Å; W147-N150 PolarHBondContact O-N 3.11Å; W147-R158 HydrophobicContact CD2-CG 3.95Å; W147-R158 HydrophobicContact CE3-CG 4.09Å; W147-R158 VanDerWaalsContact CH2-CA 3.43Å; W147-R158 HydrophobicContact CH2-CB 3.6Å; W147-R158 HydrophobicContact CH2-CG 3.92Å; W147-R158 WeakPolarHBondContact CH2-O 3.13Å; W147-R158 HydrophobicContact CZ2-CB 3.59Å; W147-R158 HydrophobicContact CZ2-CG 3.74Å; W147-R158 HydrophobicContact CZ3-CB 4.15Å; W147-R158 HydrophobicContact CZ3-CG 4.09Å; W147-I162 HydrophobicContact CH2-CD1 4.39Å; W147-I162 HydrophobicContact CH2-CG1 4.15Å; W147-I162 HydrophobicContact CZ2-CD1 4.32Å; W147-I162 HydrophobicContact CZ2-CG1 4.49Å; W147-E178 HydrophobicContact CZ2-CG 4Å; W147-A181 HydrophobicContact CH2-CB 3.84Å; W147-A181 HydrophobicContact CZ3-CB 4.19Å; W147-K182 HydrophobicContact CB-CD 4.25Å; W147-K182 HydrophobicContact CB-CG 3.8Å; W147-K182 HydrophobicContact CD2-CB 3.85Å; W147-K182 HydrophobicContact CD2-CG 4.09Å; W147-K182 HydrophobicContact CE3-CB 4.14Å; W147-K182 HydrophobicContact CG-CB 4.04Å; W147-K182 HydrophobicContact CG-CD 4.09Å; W147-K182 HydrophobicContact CG-CG 3.75Å; W147-F185 HydrophobicContact CE3-CB 4.05Å; W147-F185 HydrophobicContact CE3-CD1 4.04Å; W147-F185 HydrophobicContact CE3-CG 4.13Å; W147-F185 HydrophobicContact CZ3-CB 4.1Å; W147-F185 HydrophobicContact CZ3-CG 4.36Å; W147-E186 HydrophobicContact CB-CG 3.93Å; W147-E186 WeakPolarHBondContact CB-OE1 3.39Å; W147-E186 PolarHBondContact N-OE1 3.11Å
148	V	98	Very high	97.5	Very high	57 Å²	57	33.8 Å²	33.8	35%	0.345	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-66.1	-17.9	-175.1	74.8	0	0	0	0	113.6	Q146 R240	Q146-V148 VanDerWaalsContact C-N 3.25Å; Q146-V148 PolarHBondContact O-N 2.98Å; V148-R240 VanDerWaalsContact CG1-CZ 3.49Å
149	R	97.8	Very high	97.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.015	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-89.3	-7	177.6	-67.9	-175.6	163.1	172	-12.1	112.4	R144 Q146 W147 W151 Y218 E237 N241	R144-R149 HydrophobicContact CB-CB 3.95Å; R144-R149 WeakPolarHBondContact CD-O 3.42Å; R144-R149 HydrophobicContact CG-CB 4.37Å; R144-R149 PolarHBondContact NH1-O 2.82Å; Q146-R149 HydrophobicContact CB-CB 4.47Å; Q146-R149 HydrophobicContact CB-CG 4.3Å; Q146-R149 PolarHBondContact O-N 3.3Å; W147-R149 PolarHBondContact O-N 3Å; W147-R149 VanDerWaalsContact O-N 3.14Å; R149-W151 VanDerWaalsContact C-N 3.28Å; R149-W151 VanDerWaalsContact O-CD1 3.29Å; R149-W151 PolarHBondContact O-N 2.85Å; R149-W151 VanDerWaalsContact O-N 3.09Å; R149-Y218 VanDerWaalsContact CZ-CE2 3.48Å; R149-E237 IonicContact CZ-OE2 2.99Å; R149-E237 IonicContact NE-OE2 2.89Å; R149-E237 PolarHBondContact NE-OE2 2.83Å; R149-E237 VanDerWaalsContact NE-OE2 3.09Å; R149-E237 PolarHBondContact NH2-O 3.21Å; R149-E237 IonicContact NH2-OE2 3.89Å; R149-E237 PolarHBondContact NH2-OE2 2.85Å; R149-N241 PolarHBondContact NH1-OD1 2.98Å; R149-N241 PolarHBondContact NH2-OD1 3.39Å
150	N	98.1	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.			trans	-86	68.3	174.1	-65.5	-68.3	0	0	0	110.8	W143 R144 Q146 W147 K154 R158 F185	W143-N150 WeakPolarHBondContact CA-OD1 3.28Å; R144-N150 PolarHBondContact N-OD1 2.88Å; R144-N150 PolarHBondContact O-ND2 3.47Å; Q146-N150 PolarHBondContact O-ND2 2.95Å; Q146-N150 VanDerWaalsContact O-ND2 3.13Å; W147-N150 WeakPolarHBondContact O-CB 3.36Å; W147-N150 PolarHBondContact O-N 3.11Å; N150-K154 HydrophobicContact CB-CB 4.31Å; N150-R158 HydrophobicContact CB-CG 4.17Å; N150-R158 PolarHBondContact O-NE 3.12Å; N150-R158 VanDerWaalsContact O-NE 3.12Å; N150-F185 WeakPolarHBondContact ND2-CE1 3.5Å
151	W	95.9	Very high	97.5	Very high	125 Å²	125	38.9 Å²	38.9	47%	0.473	21%	0.206	S	C	.	.			trans	-112.5	169.8	176.3	53	-101.8	0	0	0	110.9	R149 K154 Y218	R149-W151 VanDerWaalsContact C-N 3.28Å; R149-W151 VanDerWaalsContact O-CD1 3.29Å; R149-W151 PolarHBondContact O-N 2.85Å; R149-W151 VanDerWaalsContact O-N 3.09Å; W151-K154 PolarHBondContact O-N 3.28Å; W151-Y218 HydrophobicContact CZ2-CD1 4.32Å; W151-Y218 HydrophobicContact CZ2-CE1 4.02Å
152	G	94.9	Very high	97.6	Very high	52 Å²	52	36.2 Å²	36.2	54%	0.536	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	73.5	-134.1	-178.4	0	0	0	0	0	110.9	K154 D155	G152-K154 PolarHBondContact O-N 3.16Å; G152-K154 VanDerWaalsContact O-N 3.11Å; G152-D155 WeakPolarHBondContact O-CB 3.18Å; G152-D155 PolarHBondContact O-N 3.03Å; G152-D155 VanDerWaalsContact O-N 3.14Å
153	S	94.9	Very high	97.6	Very high	72 Å²	72	39.7 Å²	39.7	50%	0.503	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-57.9	-23.9	174.7	55.5	0	0	0	0	113	E97 D155	E97-S153 PolarHBondContact OE1-OG 2.89Å; E97-S153 PolarHBondContact OE2-OG 3.16Å; S153-D155 VanDerWaalsContact C-N 3.28Å; S153-D155 PolarHBondContact O-N 3.07Å
154	K	97.1	Very high	97.6	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.065	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-84.6	3	-177.8	-55.9	-173.2	-175.8	-55	0	113.9	E97 E141 E142 N150 W151 G152 V156 Y157	E97-K154 IonicContact OE1-NZ 2.64Å; E97-K154 PolarHBondContact OE1-NZ 2.99Å; E141-K154 WeakPolarHBondContact O-CE 3.3Å; E141-K154 PolarHBondContact O-NZ 3.5Å; E142-K154 WeakPolarHBondContact O-CD 3.49Å; E142-K154 WeakPolarHBondContact O-CE 3.47Å; E142-K154 WeakPolarHBondContact O-CG 3.39Å; E142-K154 PolarHBondContact O-NZ 3.46Å; N150-K154 HydrophobicContact CB-CB 4.31Å; W151-K154 PolarHBondContact O-N 3.28Å; G152-K154 PolarHBondContact O-N 3.16Å; G152-K154 VanDerWaalsContact O-N 3.11Å; K154-V156 PolarHBondContact O-N 3Å; K154-Y157 HydrophobicContact CB-CD2 4.06Å; K154-Y157 HydrophobicContact CB-CE2 4.35Å; K154-Y157 HydrophobicContact CG-CE2 4.46Å; K154-Y157 WeakPolarHBondContact O-CD2 3.27Å; K154-Y157 PolarHBondContact O-N 3.25Å
155	D	97	Very high	97.5	Very high	56 Å²	56	39.7 Å²	39.7	30%	0.299	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62.7	-27.4	175.7	-157.9	20.3	0	0	0	112.5	G152 S153 Y157 R158 D159	G152-D155 WeakPolarHBondContact O-CB 3.18Å; G152-D155 PolarHBondContact O-N 3.03Å; G152-D155 VanDerWaalsContact O-N 3.14Å; S153-D155 VanDerWaalsContact C-N 3.28Å; S153-D155 PolarHBondContact O-N 3.07Å; D155-Y157 PolarHBondContact O-N 2.98Å; D155-Y157 VanDerWaalsContact O-N 3.07Å; D155-R158 VanDerWaalsContact CG-NH2 3.34Å; D155-R158 WeakPolarHBondContact O-CA 3.35Å; D155-R158 WeakPolarHBondContact O-CB 3.4Å; D155-R158 PolarHBondContact O-N 3.11Å; D155-R158 IonicContact OD1-CZ 3.66Å; D155-R158 IonicContact OD1-NE 3.99Å; D155-R158 PolarHBondContact OD1-NE 3.41Å; D155-R158 IonicContact OD1-NH2 2.72Å; D155-R158 PolarHBondContact OD1-NH2 2.85Å; D155-R158 IonicContact OD2-NH2 2.86Å; D155-D159 PolarHBondContact O-N 3.38Å; D155-D159 VanDerWaalsContact O-N 3.13Å
156	V	97.6	Very high	97.5	Very high	55 Å²	55	42.8 Å²	42.8	33%	0.333	23%	0.228	S	C	.	.	H	α-helix	trans	-51.6	-34.3	176	66.9	0	0	0	0	113.1	V95 K154 R158 D159 L160	V95-V156 HydrophobicContact CB-CG1 4.36Å; V95-V156 HydrophobicContact CG1-CG2 4.32Å; V95-V156 HydrophobicContact CG2-CG2 4.44Å; K154-V156 PolarHBondContact O-N 3Å; V156-R158 VanDerWaalsContact C-N 3.33Å; V156-R158 PolarHBondContact O-N 3.24Å; V156-D159 PolarHBondContact O-N 2.82Å; V156-L160 WeakPolarHBondContact O-CB 3.39Å; V156-L160 PolarHBondContact O-N 3.25Å
157	Y	98.4	Very high	97.4	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-70.2	-30.2	178.4	-62.9	-75.7	0	0	0	112.6	V95 G106 L107 E142 W143 K154 D155 S161	V95-Y157 HydrophobicContact CB-CE1 4.4Å; V95-Y157 HydrophobicContact CG2-CE1 3.99Å; V95-Y157 PolarHBondContact N-OH 3.36Å; V95-Y157 PolarHBondContact O-OH 3.36Å; G106-Y157 WeakPolarHBondContact O-CE1 3.45Å; L107-Y157 HydrophobicContact CD2-CD1 4.1Å; E142-Y157 WeakPolarHBondContact CB-OH 3.39Å; E142-Y157 WeakPolarHBondContact O-CE2 3.33Å; W143-Y157 HydrophobicContact CB-CD1 4.11Å; W143-Y157 HydrophobicContact CB-CD2 3.86Å; W143-Y157 HydrophobicContact CB-CE1 4.22Å; W143-Y157 HydrophobicContact CB-CE2 4.01Å; W143-Y157 HydrophobicContact CB-CG 3.93Å; W143-Y157 AromaticContact CD1-CE1 3.57Å; W143-Y157 AromaticContact CD1-CZ 3.9Å; W143-Y157 HydrophobicContact CG-CD1 4.34Å; W143-Y157 HydrophobicContact CG-CE1 4.25Å; K154-Y157 HydrophobicContact CB-CD2 4.06Å; K154-Y157 HydrophobicContact CB-CE2 4.35Å; K154-Y157 HydrophobicContact CG-CE2 4.46Å; K154-Y157 WeakPolarHBondContact O-CD2 3.27Å; K154-Y157 PolarHBondContact O-N 3.25Å; D155-Y157 PolarHBondContact O-N 2.98Å; D155-Y157 VanDerWaalsContact O-N 3.07Å; Y157-S161 VanDerWaalsContact O-CB 3.23Å; Y157-S161 WeakPolarHBondContact O-CB 3.3Å; Y157-S161 PolarHBondContact O-N 3.43Å; Y157-S161 PolarHBondContact O-OG 2.86Å
158	R	98.5	Very high	97.2	Very high	62 Å²	62	53.8 Å²	53.8	23%	0.234	29%	0.285	C	S	.	.	H	α-helix	trans	-71.9	-49.7	173.9	-62.6	-165.4	-67.4	177.8	-1.3	110	W147 N150 D155 V156 L160 S161 I162	W147-R158 HydrophobicContact CD2-CG 3.95Å; W147-R158 HydrophobicContact CE3-CG 4.09Å; W147-R158 VanDerWaalsContact CH2-CA 3.43Å; W147-R158 HydrophobicContact CH2-CB 3.6Å; W147-R158 HydrophobicContact CH2-CG 3.92Å; W147-R158 WeakPolarHBondContact CH2-O 3.13Å; W147-R158 HydrophobicContact CZ2-CB 3.59Å; W147-R158 HydrophobicContact CZ2-CG 3.74Å; W147-R158 HydrophobicContact CZ3-CB 4.15Å; W147-R158 HydrophobicContact CZ3-CG 4.09Å; N150-R158 HydrophobicContact CB-CG 4.17Å; N150-R158 PolarHBondContact O-NE 3.12Å; N150-R158 VanDerWaalsContact O-NE 3.12Å; D155-R158 VanDerWaalsContact CG-NH2 3.34Å; D155-R158 WeakPolarHBondContact O-CA 3.35Å; D155-R158 WeakPolarHBondContact O-CB 3.4Å; D155-R158 PolarHBondContact O-N 3.11Å; D155-R158 IonicContact OD1-CZ 3.66Å; D155-R158 IonicContact OD1-NE 3.99Å; D155-R158 PolarHBondContact OD1-NE 3.41Å; D155-R158 IonicContact OD1-NH2 2.72Å; D155-R158 PolarHBondContact OD1-NH2 2.85Å; D155-R158 IonicContact OD2-NH2 2.86Å; V156-R158 VanDerWaalsContact C-N 3.33Å; V156-R158 PolarHBondContact O-N 3.24Å; R158-L160 PolarHBondContact O-N 3.29Å; R158-S161 WeakPolarHBondContact O-CB 3.44Å; R158-S161 PolarHBondContact O-N 3.04Å; R158-I162 WeakPolarHBondContact O-CG1 3.01Å; R158-I162 PolarHBondContact O-N 3.5Å
159	D	97.6	Very high	97.1	Very high	93 Å²	93	54 Å²	54	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-58.3	-51.1	179.3	-71	-21	0	0	0	112	D155 V156 S161 I162 E163	D155-D159 PolarHBondContact O-N 3.38Å; D155-D159 VanDerWaalsContact O-N 3.13Å; V156-D159 PolarHBondContact O-N 2.82Å; D159-S161 VanDerWaalsContact C-N 3.27Å; D159-S161 PolarHBondContact O-N 2.04Å; D159-I162 WeakPolarHBondContact O-CB 3.46Å; D159-I162 PolarHBondContact O-N 3.26Å; D159-I162 VanDerWaalsContact O-N 3.12Å; D159-E163 PolarHBondContact O-N 2.92Å
160	L	97.8	Very high	96.9	Very high	30 Å²	30	59 Å²	59	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-34.7	180	-172.4	61.9	0	0	0	111.7	V95 M102 L107 V156 R158 T164	V95-L160 HydrophobicContact CG2-CD2 4.23Å; M102-L160 HydrophobicContact SD-CD1 4.21Å; M102-L160 HydrophobicContact SD-CD2 3.71Å; L107-L160 HydrophobicContact CD1-CB 4.1Å; L107-L160 HydrophobicContact CD1-CD2 3.88Å; L107-L160 HydrophobicContact CD1-CG 3.59Å; L107-L160 HydrophobicContact CD2-CB 4.48Å; L107-L160 HydrophobicContact CD2-CD2 4.32Å; L107-L160 HydrophobicContact CG-CB 4.49Å; L107-L160 HydrophobicContact CG-CD2 3.76Å; L107-L160 HydrophobicContact CG-CG 4.03Å; V156-L160 WeakPolarHBondContact O-CB 3.39Å; V156-L160 PolarHBondContact O-N 3.25Å; R158-L160 PolarHBondContact O-N 3.29Å; L160-T164 VanDerWaalsContact O-CB 3.28Å; L160-T164 WeakPolarHBondContact O-CB 3.46Å; L160-T164 PolarHBondContact O-N 3.41Å; L160-T164 PolarHBondContact O-OG1 2.81Å
161	S	98.5	Very high	96.8	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.3	-40.5	175.2	-66.5	0	0	0	0	112	L107 Q109 Y157 R158 D159 V165	L107-S161 WeakPolarHBondContact CD2-OG 3.4Å; Q109-S161 PolarHBondContact NE2-OG 3.49Å; Y157-S161 VanDerWaalsContact O-CB 3.23Å; Y157-S161 WeakPolarHBondContact O-CB 3.3Å; Y157-S161 PolarHBondContact O-N 3.43Å; Y157-S161 PolarHBondContact O-OG 2.86Å; R158-S161 WeakPolarHBondContact O-CB 3.44Å; R158-S161 PolarHBondContact O-N 3.04Å; D159-S161 VanDerWaalsContact C-N 3.27Å; D159-S161 PolarHBondContact O-N 2.04Å; S161-V165 WeakPolarHBondContact O-CG2 3.33Å; S161-V165 PolarHBondContact O-N 2.87Å; S161-V165 VanDerWaalsContact O-N 3.14Å
162	I	98.6	Very high	96.8	Very high	28 Å²	28	61.3 Å²	61.3	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-47.2	176.2	-66.4	164.5	0	0	0	110.2	W147 R158 D159 T164 V165 K166 A177 E178 A181	W147-I162 HydrophobicContact CH2-CD1 4.39Å; W147-I162 HydrophobicContact CH2-CG1 4.15Å; W147-I162 HydrophobicContact CZ2-CD1 4.32Å; W147-I162 HydrophobicContact CZ2-CG1 4.49Å; R158-I162 WeakPolarHBondContact O-CG1 3.01Å; R158-I162 PolarHBondContact O-N 3.5Å; D159-I162 WeakPolarHBondContact O-CB 3.46Å; D159-I162 PolarHBondContact O-N 3.26Å; D159-I162 VanDerWaalsContact O-N 3.12Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 3.37Å; I162-V165 PolarHBondContact O-N 2.83Å; I162-K166 HydrophobicContact CG2-CD 4.11Å; I162-K166 WeakPolarHBondContact O-CG 3.32Å; I162-K166 PolarHBondContact O-N 3.2Å; I162-A177 HydrophobicContact CG2-CB 4.15Å; I162-E178 HydrophobicContact CD1-CB 4.16Å; I162-E178 HydrophobicContact CD1-CG 4.07Å; I162-E178 HydrophobicContact CG1-CB 4.34Å; I162-E178 HydrophobicContact CG1-CG 4.5Å; I162-A181 HydrophobicContact CB-CB 4.47Å; I162-A181 HydrophobicContact CG1-CB 3.81Å
163	E	97.3	Very high	96.9	Very high	118 Å²	118	61.4 Å²	61.4	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-60.2	-42.4	177.7	-174.4	178.1	-179	0	0	111.7	D159 V165 K166 T167	D159-E163 PolarHBondContact O-N 2.92Å; E163-V165 VanDerWaalsContact C-N 3.3Å; E163-V165 PolarHBondContact O-N 3.13Å; E163-K166 PolarHBondContact O-N 2.88Å; E163-T167 WeakPolarHBondContact O-CB 3.46Å; E163-T167 PolarHBondContact O-N 3.44Å; E163-T167 PolarHBondContact O-OG1 3.39Å
164	T	97.4	Very high	97	Very high	24 Å²	24	63.2 Å²	63.2	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-42	176.1	-64.6	0	0	0	0	111.5	L110 L160 I162 K168	L110-T164 HydrophobicContact CD2-CG2 4.02Å; L160-T164 VanDerWaalsContact O-CB 3.28Å; L160-T164 WeakPolarHBondContact O-CB 3.46Å; L160-T164 PolarHBondContact O-N 3.41Å; L160-T164 PolarHBondContact O-OG1 2.81Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 3.37Å; T164-K168 WeakPolarHBondContact O-CG 3.02Å; T164-K168 PolarHBondContact O-N 3.29Å
165	V	97.8	Very high	97	Very high	16 Å²	16	68.1 Å²	68.1	10%	0.097	37%	0.369	C	S	.	.	H	α-helix	trans	-67.8	-45.8	177	166.4	0	0	0	0	111.2	S161 I162 E163 T167 K168 T169 L172 A177 R180 A181	S161-V165 WeakPolarHBondContact O-CG2 3.33Å; S161-V165 PolarHBondContact O-N 2.87Å; S161-V165 VanDerWaalsContact O-N 3.14Å; I162-V165 PolarHBondContact O-N 2.83Å; E163-V165 VanDerWaalsContact C-N 3.3Å; E163-V165 PolarHBondContact O-N 3.13Å; V165-T167 VanDerWaalsContact C-N 3.35Å; V165-T167 PolarHBondContact O-N 3.06Å; V165-K168 PolarHBondContact O-N 3.03Å; V165-T169 PolarHBondContact O-N 3.01Å; V165-L172 HydrophobicContact CG1-CD1 3.56Å; V165-A177 HydrophobicContact CG1-CB 4.24Å; V165-R180 HydrophobicContact CG1-CB 4Å; V165-R180 HydrophobicContact CG1-CG 3.81Å; V165-R180 HydrophobicContact CG2-CG 4.1Å; V165-A181 HydrophobicContact CG2-CB 4.09Å
166	K	97.6	Very high	97.1	Very high	69 Å²	69	70.6 Å²	70.6	30%	0.3	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-38.1	179.1	-75.6	179.7	172.4	176	0	112.8	I162 E163 K168 T169 P170 D174 A177	I162-K166 HydrophobicContact CG2-CD 4.11Å; I162-K166 WeakPolarHBondContact O-CG 3.32Å; I162-K166 PolarHBondContact O-N 3.2Å; E163-K166 PolarHBondContact O-N 2.88Å; K166-K168 VanDerWaalsContact C-N 3.27Å; K166-K168 PolarHBondContact O-N 3.33Å; K166-T169 CarbonylContact O-C 3.13Å; K166-T169 PolarHBondContact O-N 3.24Å; K166-P170 WeakPolarHBondContact O-CA 2.99Å; K166-P170 WeakPolarHBondContact O-CD 3.41Å; K166-P170 WeakPolarHBondContact O-CG 3.39Å; K166-D174 VanDerWaalsContact CE-OD1 3.27Å; K166-D174 WeakPolarHBondContact CE-OD1 3.33Å; K166-D174 IonicContact NZ-OD1 2.69Å; K166-D174 PolarHBondContact NZ-OD1 2.92Å; K166-A177 HydrophobicContact CD-CB 4.29Å; K166-A177 HydrophobicContact CG-CB 3.69Å
167	T	96.2	Very high	97.1	Very high	104 Å²	104	68 Å²	68	64%	0.638	36%	0.363	S	S	*	.	H	α-helix	trans	-61.1	-39.2	175.3	-63.1	0	0	0	0	111.3	E163 V165	E163-T167 WeakPolarHBondContact O-CB 3.46Å; E163-T167 PolarHBondContact O-N 3.44Å; E163-T167 PolarHBondContact O-OG1 3.39Å; V165-T167 VanDerWaalsContact C-N 3.35Å; V165-T167 PolarHBondContact O-N 3.06Å
168	K	94.8	Very high	97.1	Very high	149 Å²	149	71.9 Å²	71.9	65%	0.648	38%	0.381	S	S	*	.	H	α-helix	trans	-76.9	-33.2	177.5	-70	179.1	-178.1	176.5	0	112.8	T164 V165 K166	T164-K168 WeakPolarHBondContact O-CG 3.02Å; T164-K168 PolarHBondContact O-N 3.29Å; V165-K168 PolarHBondContact O-N 3.03Å; K166-K168 VanDerWaalsContact C-N 3.27Å; K166-K168 PolarHBondContact O-N 3.33Å
169	T	95	Very high	97.1	Very high	62 Å²	62	74.1 Å²	74.1	38%	0.38	40%	0.398	S	S	.	.			trans	-137	82.3	-179	-46.1	0	0	0	0	110.9	V165 K166 T171 L172	V165-T169 PolarHBondContact O-N 3.01Å; K166-T169 CarbonylContact O-C 3.13Å; K166-T169 PolarHBondContact O-N 3.24Å; T169-T171 PolarHBondContact O-N 2.92Å; T169-L172 HydrophobicContact CG2-CD1 4.08Å; T169-L172 HydrophobicContact CG2-CD2 4.24Å; T169-L172 HydrophobicContact CG2-CG 3.74Å; T169-L172 PolarHBondContact O-N 3.29Å
170	P	93.5	Very high	97.1	Very high	107 Å²	107	76.5 Å²	76.5	70%	0.695	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.8	-172.7	-23.9	34.8	0	0	0	115.7	K166	K166-P170 WeakPolarHBondContact O-CA 2.99Å; K166-P170 WeakPolarHBondContact O-CD 3.41Å; K166-P170 WeakPolarHBondContact O-CG 3.39Å
171	T	96.2	Very high	97.2	Very high	127 Å²	127	75 Å²	75	78%	0.779	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.6	-177.7	57.1	0	0	0	0	113.9	T169	T169-T171 PolarHBondContact O-N 2.92Å
172	L	96.3	Very high	97.2	Very high	47 Å²	47	79 Å²	79	25%	0.246	41%	0.41	C	S	.	.	S	Bend	trans	-67.6	144.3	178.6	-65.1	174.4	0	0	0	110.4	V165 T169 E176 A177	V165-L172 HydrophobicContact CG1-CD1 3.56Å; T169-L172 HydrophobicContact CG2-CD1 4.08Å; T169-L172 HydrophobicContact CG2-CD2 4.24Å; T169-L172 HydrophobicContact CG2-CG 3.74Å; T169-L172 PolarHBondContact O-N 3.29Å; L172-E176 HydrophobicContact CB-CB 4.21Å; L172-E176 HydrophobicContact CD2-CB 4.11Å; L172-A177 HydrophobicContact CB-CB 4.31Å
173	S	97.3	Very high	97.2	Very high	54 Å²	54	81.7 Å²	81.7	38%	0.378	42%	0.423	S	S	.	.			trans	-66.7	169.1	164.2	77.1	0	0	0	0	110.9	E176 A177	S173-E176 PolarHBondContact N-OE2 2.79Å; S173-E176 PolarHBondContact O-N 2.95Å; S173-E176 WeakPolarHBondContact OG-CB 3.47Å; S173-E176 VanDerWaalsContact OG-CG 3.28Å; S173-E176 WeakPolarHBondContact OG-CG 2.94Å; S173-E176 PolarHBondContact OG-N 2.94Å; S173-E176 VanDerWaalsContact OG-N 3.15Å; S173-E176 PolarHBondContact OG-OE2 3.03Å; S173-A177 VanDerWaalsContact O-CB 3.3Å; S173-A177 WeakPolarHBondContact O-CB 3.14Å; S173-A177 PolarHBondContact O-N 3.11Å
174	D	96.4	Very high	97.2	Very high	110 Å²	110	78.1 Å²	78.1	59%	0.588	41%	0.409	S	S	*	.	H	α-helix	trans	-60.8	-47	176.6	-66.1	-20.6	0	0	0	111.5	K166 E176 A177 E178	K166-D174 VanDerWaalsContact CE-OD1 3.27Å; K166-D174 WeakPolarHBondContact CE-OD1 3.33Å; K166-D174 IonicContact NZ-OD1 2.69Å; K166-D174 PolarHBondContact NZ-OD1 2.92Å; D174-E176 PolarHBondContact O-N 3.48Å; D174-A177 PolarHBondContact O-N 3.44Å; D174-E178 PolarHBondContact O-N 2.95Å
175	D	97.4	Very high	97.3	Very high	118 Å²	118	77 Å²	77	63%	0.631	40%	0.403	S	S	*	.	H	α-helix	trans	-62.3	-43.8	178.1	-60.4	-17.8	0	0	0	111.9	A177 E178 D179	D175-A177 VanDerWaalsContact C-N 3.3Å; D175-A177 PolarHBondContact O-N 3.12Å; D175-E178 PolarHBondContact O-N 3.35Å; D175-D179 PolarHBondContact O-N 3.14Å
176	E	98.1	Very high	97.3	Very high	109 Å²	109	79 Å²	79	51%	0.509	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-36	178.1	-71.4	175.5	144.5	0	0	111.9	L172 S173 D174 R180	L172-E176 HydrophobicContact CB-CB 4.21Å; L172-E176 HydrophobicContact CD2-CB 4.11Å; S173-E176 PolarHBondContact N-OE2 2.79Å; S173-E176 PolarHBondContact O-N 2.95Å; S173-E176 WeakPolarHBondContact OG-CB 3.47Å; S173-E176 VanDerWaalsContact OG-CG 3.28Å; S173-E176 WeakPolarHBondContact OG-CG 2.94Å; S173-E176 PolarHBondContact OG-N 2.94Å; S173-E176 VanDerWaalsContact OG-N 3.15Å; S173-E176 PolarHBondContact OG-OE2 3.03Å; D174-E176 PolarHBondContact O-N 3.48Å; E176-R180 VanDerWaalsContact O-CB 3.23Å; E176-R180 WeakPolarHBondContact O-CB 3.43Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 VanDerWaalsContact O-N 3.12Å
177	A	98.3	Very high	97.4	Very high	0 Å²	0	83.3 Å²	83.3	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-68.4	-41.7	176.1	0	0	0	0	0	111.5	I162 V165 K166 L172 S173 D174 D175 R180 A181	I162-A177 HydrophobicContact CG2-CB 4.15Å; V165-A177 HydrophobicContact CG1-CB 4.24Å; K166-A177 HydrophobicContact CD-CB 4.29Å; K166-A177 HydrophobicContact CG-CB 3.69Å; L172-A177 HydrophobicContact CB-CB 4.31Å; S173-A177 VanDerWaalsContact O-CB 3.3Å; S173-A177 WeakPolarHBondContact O-CB 3.14Å; S173-A177 PolarHBondContact O-N 3.11Å; D174-A177 PolarHBondContact O-N 3.44Å; D175-A177 VanDerWaalsContact C-N 3.3Å; D175-A177 PolarHBondContact O-N 3.12Å; A177-R180 PolarHBondContact O-N 2.68Å; A177-A181 WeakPolarHBondContact O-CB 3Å; A177-A181 PolarHBondContact O-N 2.64Å
178	E	98.4	Very high	97.5	Very high	82 Å²	82	78.8 Å²	78.8	38%	0.383	40%	0.398	S	S	.	.	H	α-helix	trans	-63.9	-50.1	176	-174.6	176	178.6	0	0	112	W147 I162 D174 D175 R180 A181 K182	W147-E178 HydrophobicContact CZ2-CG 4Å; I162-E178 HydrophobicContact CD1-CB 4.16Å; I162-E178 HydrophobicContact CD1-CG 4.07Å; I162-E178 HydrophobicContact CG1-CB 4.34Å; I162-E178 HydrophobicContact CG1-CG 4.5Å; D174-E178 PolarHBondContact O-N 2.95Å; D175-E178 PolarHBondContact O-N 3.35Å; E178-R180 PolarHBondContact O-N 2.87Å; E178-A181 WeakPolarHBondContact O-CB 3.43Å; E178-A181 PolarHBondContact O-N 2.96Å; E178-A181 VanDerWaalsContact O-N 3.09Å; E178-K182 WeakPolarHBondContact O-CB 3.43Å; E178-K182 PolarHBondContact O-N 3.13Å
179	D	98.3	Very high	97.7	Very high	110 Å²	110	71.7 Å²	71.7	59%	0.588	37%	0.367	S	S	*	.	H	α-helix	trans	-56.4	-41.2	177.4	-84.2	-19	0	0	0	111.3	D175 I183	D175-D179 PolarHBondContact O-N 3.14Å; D179-I183 WeakPolarHBondContact O-CD1 3.5Å; D179-I183 VanDerWaalsContact O-CG1 3.32Å; D179-I183 WeakPolarHBondContact O-CG1 3.28Å; D179-I183 PolarHBondContact O-N 3.32Å
180	R	98.4	Very high	97.9	Very high	142 Å²	142	72.7 Å²	72.7	54%	0.536	37%	0.366	S	S	.	.	H	α-helix	trans	-69.9	-42.2	177.2	-177	61.3	171.9	-167.1	-2.5	112.1	V165 E176 A177 E178 I183 V184	V165-R180 HydrophobicContact CG1-CB 4Å; V165-R180 HydrophobicContact CG1-CG 3.81Å; V165-R180 HydrophobicContact CG2-CG 4.1Å; E176-R180 VanDerWaalsContact O-CB 3.23Å; E176-R180 WeakPolarHBondContact O-CB 3.43Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 VanDerWaalsContact O-N 3.12Å; A177-R180 PolarHBondContact O-N 2.68Å; E178-R180 PolarHBondContact O-N 2.87Å; R180-I183 PolarHBondContact O-N 3.34Å; R180-V184 VanDerWaalsContact O-CG2 3.32Å; R180-V184 WeakPolarHBondContact O-CG2 3.18Å; R180-V184 PolarHBondContact O-N 3.34Å; R180-V184 VanDerWaalsContact O-N 3.11Å
181	A	98.7	Very high	98.1	Very high	0 Å²	0	73 Å²	73	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-47.4	178.5	0	0	0	0	0	111	W147 I162 V165 A177 E178 I183 V184 F185	W147-A181 HydrophobicContact CH2-CB 3.84Å; W147-A181 HydrophobicContact CZ3-CB 4.19Å; I162-A181 HydrophobicContact CB-CB 4.47Å; I162-A181 HydrophobicContact CG1-CB 3.81Å; V165-A181 HydrophobicContact CG2-CB 4.09Å; A177-A181 WeakPolarHBondContact O-CB 3Å; A177-A181 PolarHBondContact O-N 2.64Å; E178-A181 WeakPolarHBondContact O-CB 3.43Å; E178-A181 PolarHBondContact O-N 2.96Å; E178-A181 VanDerWaalsContact O-N 3.09Å; A181-I183 PolarHBondContact O-N 3.02Å; A181-V184 PolarHBondContact O-N 2.84Å; A181-F185 VanDerWaalsContact O-CB 3.28Å; A181-F185 WeakPolarHBondContact O-CB 3.16Å; A181-F185 PolarHBondContact O-N 2.86Å
182	K	98.8	Very high	98.3	Very high	84 Å²	84	66.9 Å²	66.9	37%	0.365	32%	0.316	S	S	.	.	H	α-helix	trans	-52.6	-53.2	174.6	175.3	175	179.3	-175.7	0	112.2	W147 E178 V184 F185 E186	W147-K182 HydrophobicContact CB-CD 4.25Å; W147-K182 HydrophobicContact CB-CG 3.8Å; W147-K182 HydrophobicContact CD2-CB 3.85Å; W147-K182 HydrophobicContact CD2-CG 4.09Å; W147-K182 HydrophobicContact CE3-CB 4.14Å; W147-K182 HydrophobicContact CG-CB 4.04Å; W147-K182 HydrophobicContact CG-CD 4.09Å; W147-K182 HydrophobicContact CG-CG 3.75Å; E178-K182 WeakPolarHBondContact O-CB 3.43Å; E178-K182 PolarHBondContact O-N 3.13Å; K182-V184 VanDerWaalsContact C-N 3.31Å; K182-V184 PolarHBondContact O-N 3.06Å; K182-F185 PolarHBondContact O-N 3.16Å; K182-E186 WeakPolarHBondContact O-CG 3.38Å; K182-E186 PolarHBondContact O-N 3.39Å
183	I	98.5	Very high	98.4	Very high	83 Å²	83	64.7 Å²	64.7	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-41.9	-178	-68.7	166.4	0	0	0	111.6	D179 R180 A181 R187	D179-I183 WeakPolarHBondContact O-CD1 3.5Å; D179-I183 VanDerWaalsContact O-CG1 3.32Å; D179-I183 WeakPolarHBondContact O-CG1 3.28Å; D179-I183 PolarHBondContact O-N 3.32Å; R180-I183 PolarHBondContact O-N 3.34Å; A181-I183 PolarHBondContact O-N 3.02Å; I183-R187 WeakPolarHBondContact O-CB 3.22Å; I183-R187 PolarHBondContact O-N 2.87Å
184	V	98.4	Very high	98.5	Very high	43 Å²	43	64 Å²	64	26%	0.261	30%	0.296	S	S	.	.	H	α-helix	trans	-72.3	-44.4	-177	173.1	0	0	0	0	110.7	Q109 R180 A181 K182 A188	Q109-V184 HydrophobicContact CB-CG1 3.54Å; Q109-V184 HydrophobicContact CG-CG1 3.78Å; R180-V184 VanDerWaalsContact O-CG2 3.32Å; R180-V184 WeakPolarHBondContact O-CG2 3.18Å; R180-V184 PolarHBondContact O-N 3.34Å; R180-V184 VanDerWaalsContact O-N 3.11Å; A181-V184 PolarHBondContact O-N 2.84Å; K182-V184 VanDerWaalsContact C-N 3.31Å; K182-V184 PolarHBondContact O-N 3.06Å; V184-A188 WeakPolarHBondContact O-CB 3.35Å; V184-A188 PolarHBondContact O-N 2.97Å
185	F	98.9	Very high	98.6	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-56.8	177.5	177.6	-90.9	0	0	0	111.5	L107 P108 W143 R144 W147 N150 A181 K182 R187 A188 A189	L107-F185 HydrophobicContact CD2-CD2 4.26Å; L107-F185 HydrophobicContact CD2-CE2 4.31Å; P108-F185 HydrophobicContact CG-CD2 3.93Å; P108-F185 HydrophobicContact CG-CE2 3.76Å; P108-F185 HydrophobicContact CG-CZ 4.43Å; W143-F185 HydrophobicContact CB-CZ 4.23Å; W143-F185 HydrophobicContact CE3-CZ 4.3Å; W143-F185 HydrophobicContact CG-CZ 4.49Å; R144-F185 WeakPolarHBondContact O-CE1 3.49Å; W147-F185 HydrophobicContact CE3-CB 4.05Å; W147-F185 HydrophobicContact CE3-CD1 4.04Å; W147-F185 HydrophobicContact CE3-CG 4.13Å; W147-F185 HydrophobicContact CZ3-CB 4.1Å; W147-F185 HydrophobicContact CZ3-CG 4.36Å; N150-F185 WeakPolarHBondContact ND2-CE1 3.5Å; A181-F185 VanDerWaalsContact O-CB 3.28Å; A181-F185 WeakPolarHBondContact O-CB 3.16Å; A181-F185 PolarHBondContact O-N 2.86Å; K182-F185 PolarHBondContact O-N 3.16Å; F185-R187 VanDerWaalsContact C-N 3.27Å; F185-R187 PolarHBondContact O-N 2.69Å; F185-A188 PolarHBondContact O-N 3.36Å; F185-A189 HydrophobicContact CE1-CB 4.38Å; F185-A189 WeakPolarHBondContact O-CB 3.48Å; F185-A189 PolarHBondContact O-N 3.45Å
186	E	98.9	Very high	98.6	Very high	59 Å²	59	57.9 Å²	57.9	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-62.8	-35.2	-176.5	-67.7	-174.2	156.6	0	0	111.8	W147 K182 K190	W147-E186 HydrophobicContact CB-CG 3.93Å; W147-E186 WeakPolarHBondContact CB-OE1 3.39Å; W147-E186 PolarHBondContact N-OE1 3.11Å; K182-E186 WeakPolarHBondContact O-CG 3.38Å; K182-E186 PolarHBondContact O-N 3.39Å; E186-K190 WeakPolarHBondContact O-CB 3.13Å; E186-K190 PolarHBondContact O-N 3.13Å
187	R	98.8	Very high	98.7	Very high	159 Å²	159	52.7 Å²	52.7	60%	0.6	23%	0.232	S	C	*	.	H	α-helix	trans	-63.9	-42.5	174.5	-179.4	-177.1	-63.9	176.6	0.1	111.8	I183 F185 R191	I183-R187 WeakPolarHBondContact O-CB 3.22Å; I183-R187 PolarHBondContact O-N 2.87Å; F185-R187 VanDerWaalsContact C-N 3.27Å; F185-R187 PolarHBondContact O-N 2.69Å; R187-R191 WeakPolarHBondContact O-CB 3.47Å; R187-R191 PolarHBondContact O-N 2.85Å; R187-R191 VanDerWaalsContact O-N 3.12Å
188	A	98.8	Very high	98.7	Very high	8 Å²	8	56.8 Å²	56.8	7%	0.066	25%	0.254	C	S	.	.	H	α-helix	trans	-73.3	-43.9	-179.2	0	0	0	0	0	111.7	P108 Q109 V184 F185 K190 R191 Y192	P108-A188 HydrophobicContact CB-CB 4.05Å; P108-A188 HydrophobicContact CG-CB 4.35Å; Q109-A188 HydrophobicContact CB-CB 3.6Å; V184-A188 WeakPolarHBondContact O-CB 3.35Å; V184-A188 PolarHBondContact O-N 2.97Å; F185-A188 PolarHBondContact O-N 3.36Å; A188-K190 PolarHBondContact O-N 3.21Å; A188-R191 WeakPolarHBondContact O-CB 3.3Å; A188-R191 PolarHBondContact O-N 2.74Å; A188-R191 VanDerWaalsContact O-N 3.11Å; A188-Y192 PolarHBondContact O-N 2.81Å
189	A	98.8	Very high	98.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-47.1	174.7	0	0	0	0	0	112	P108 W143 P145 F185 R191 Y192 F193	P108-A189 HydrophobicContact CG-CB 4.2Å; W143-A189 HydrophobicContact CE3-CB 4.17Å; W143-A189 HydrophobicContact CH2-CB 4.32Å; W143-A189 HydrophobicContact CZ3-CB 3.59Å; P145-A189 HydrophobicContact CB-CB 4.01Å; F185-A189 HydrophobicContact CE1-CB 4.38Å; F185-A189 WeakPolarHBondContact O-CB 3.48Å; F185-A189 PolarHBondContact O-N 3.45Å; A189-R191 VanDerWaalsContact C-N 3.32Å; A189-R191 PolarHBondContact O-N 3.49Å; A189-Y192 WeakPolarHBondContact O-CB 3.36Å; A189-Y192 PolarHBondContact O-N 2.92Å; A189-F193 WeakPolarHBondContact O-CD2 3.4Å; A189-F193 PolarHBondContact O-N 3.08Å
190	K	98.8	Very high	98.7	Very high	84 Å²	84	48.2 Å²	48.2	37%	0.365	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-42.5	173	173.8	168.5	179.7	165.4	0	112.4	E186 A188 Y192 L194 W246	E186-K190 WeakPolarHBondContact O-CB 3.13Å; E186-K190 PolarHBondContact O-N 3.13Å; A188-K190 PolarHBondContact O-N 3.21Å; K190-Y192 VanDerWaalsContact C-N 3.33Å; K190-L194 HydrophobicContact CG-CD1 3.93Å; K190-L194 WeakPolarHBondContact O-CB 3.2Å; K190-L194 WeakPolarHBondContact O-CG 3.48Å; K190-L194 PolarHBondContact O-N 3.23Å; K190-L194 VanDerWaalsContact O-N 3.08Å; K190-W246 HydrophobicContact CB-CH2 4.17Å; K190-W246 HydrophobicContact CB-CZ2 4.03Å; K190-W246 HydrophobicContact CB-CZ3 4.49Å; K190-W246 HydrophobicContact CD-CD2 3.79Å; K190-W246 HydrophobicContact CD-CE3 4.41Å; K190-W246 HydrophobicContact CD-CG 3.86Å; K190-W246 HydrophobicContact CD-CZ2 4.47Å; K190-W246 HydrophobicContact CG-CD2 3.72Å; K190-W246 HydrophobicContact CG-CE3 3.85Å; K190-W246 HydrophobicContact CG-CG 4.28Å; K190-W246 HydrophobicContact CG-CH2 4.22Å; K190-W246 HydrophobicContact CG-CZ2 4.08Å; K190-W246 HydrophobicContact CG-CZ3 4.11Å
191	R	98.8	Very high	98.7	Very high	112 Å²	112	44.2 Å²	44.2	42%	0.423	20%	0.197	S	C	.	.	H	α-helix	trans	-62.9	-42.4	177.5	179.8	-176.2	-67.2	-177.5	-0.6	111.1	F113 R187 A188 A189 R195	F113-R191 HydrophobicContact CD1-CG 4.2Å; F113-R191 HydrophobicContact CE1-CB 4.31Å; F113-R191 HydrophobicContact CE1-CG 3.85Å; F113-R191 HydrophobicContact CE2-CG 4.37Å; F113-R191 HydrophobicContact CZ-CB 4.14Å; F113-R191 HydrophobicContact CZ-CG 3.94Å; R187-R191 WeakPolarHBondContact O-CB 3.47Å; R187-R191 PolarHBondContact O-N 2.85Å; R187-R191 VanDerWaalsContact O-N 3.12Å; A188-R191 WeakPolarHBondContact O-CB 3.3Å; A188-R191 PolarHBondContact O-N 2.74Å; A188-R191 VanDerWaalsContact O-N 3.11Å; A189-R191 VanDerWaalsContact C-N 3.32Å; A189-R191 PolarHBondContact O-N 3.49Å; R191-R195 HydrophobicContact CG-CG 4.3Å; R191-R195 VanDerWaalsContact O-CB 3.3Å; R191-R195 WeakPolarHBondContact O-CB 3.18Å; R191-R195 VanDerWaalsContact O-CG 3.28Å; R191-R195 WeakPolarHBondContact O-CG 3.37Å; R191-R195 PolarHBondContact O-N 2.96Å
192	Y	98.7	Very high	98.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-54.2	176.3	-170.6	-84.6	0	0	0	111.6	L91 F92 I111 F113 H116 F140 W143 A188 A189 K190 L194 R195 S196	L91-Y192 WeakPolarHBondContact O-CE2 3.48Å; L91-Y192 PolarHBondContact O-OH 3.26Å; F92-Y192 WeakPolarHBondContact CA-OH 3.39Å; F92-Y192 WeakPolarHBondContact CB-OH 3.48Å; F92-Y192 AromaticContact CD2-CE1 3.68Å; F92-Y192 HydrophobicContact CD2-CE1 3.68Å; F92-Y192 AromaticContact CD2-CZ 3.63Å; F92-Y192 WeakPolarHBondContact CD2-OH 3.29Å; F92-Y192 HydrophobicContact CE2-CE1 4.18Å; I111-Y192 HydrophobicContact CD1-CD2 3.54Å; I111-Y192 HydrophobicContact CD1-CE2 3.66Å; F113-Y192 HydrophobicContact CE1-CD2 4.13Å; H116-Y192 AromaticContact CE1-CE2 3.34Å; H116-Y192 WeakPolarHBondContact CE1-CE2 3.43Å; H116-Y192 AromaticContact CE1-CZ 3.29Å; H116-Y192 PolarHBondContact CE1-OH 3.44Å; H116-Y192 AromaticContact CG-CE2 4Å; H116-Y192 AromaticContact ND1-CE2 3.31Å; H116-Y192 VanDerWaalsContact ND1-CE2 3.31Å; H116-Y192 WeakPolarHBondContact ND1-CE2 3.39Å; H116-Y192 AromaticContact ND1-CZ 3.61Å; H116-Y192 PolarHBondContact ND1-OH 3.4Å; H116-Y192 AromaticContact NE2-CE2 3.98Å; F140-Y192 AromaticContact CD2-CE1 3.8Å; F140-Y192 HydrophobicContact CD2-CE1 3.8Å; F140-Y192 AromaticContact CE2-CE1 3.69Å; F140-Y192 HydrophobicContact CE2-CE1 3.69Å; W143-Y192 AromaticContact CH2-CD1 3.89Å; W143-Y192 HydrophobicContact CH2-CD1 3.89Å; W143-Y192 AromaticContact CH2-CG 3.99Å; W143-Y192 HydrophobicContact CH2-CG 3.99Å; W143-Y192 HydrophobicContact CZ2-CD1 4.35Å; W143-Y192 HydrophobicContact CZ2-CG 4.42Å; A188-Y192 PolarHBondContact O-N 2.81Å; A189-Y192 WeakPolarHBondContact O-CB 3.36Å; A189-Y192 PolarHBondContact O-N 2.92Å; K190-Y192 VanDerWaalsContact C-N 3.33Å; Y192-L194 PolarHBondContact O-N 2.81Å; Y192-R195 PolarHBondContact O-N 3.18Å; Y192-S196 WeakPolarHBondContact O-CB 3.36Å; Y192-S196 PolarHBondContact O-N 2.97Å; Y192-S196 PolarHBondContact O-OG 2.83Å
193	F	98.8	Very high	98.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-47.1	-177	-87	-126.1	0	0	0	112	W143 P145 A189 L197 Y211 Y214 W246 L247	W143-F193 HydrophobicContact CE3-CE2 4.27Å; W143-F193 HydrophobicContact CH2-CD2 4.04Å; W143-F193 AromaticContact CH2-CE2 3.68Å; W143-F193 HydrophobicContact CH2-CE2 3.68Å; W143-F193 AromaticContact CZ3-CD2 3.91Å; W143-F193 HydrophobicContact CZ3-CD2 3.91Å; W143-F193 AromaticContact CZ3-CE2 3.36Å; W143-F193 HydrophobicContact CZ3-CE2 3.36Å; W143-F193 HydrophobicContact CZ3-CZ 4.38Å; P145-F193 HydrophobicContact CG-CE1 4.2Å; P145-F193 HydrophobicContact CG-CZ 4.31Å; A189-F193 WeakPolarHBondContact O-CD2 3.4Å; A189-F193 PolarHBondContact O-N 3.08Å; F193-L197 WeakPolarHBondContact O-CG 3.42Å; F193-L197 PolarHBondContact O-N 2.94Å; F193-Y211 VanDerWaalsContact CA-OH 3.28Å; F193-Y211 WeakPolarHBondContact CA-OH 2.99Å; F193-Y211 HydrophobicContact CB-CE2 4.02Å; F193-Y211 HydrophobicContact CD1-CD1 4.08Å; F193-Y211 AromaticContact CD1-CD2 3.68Å; F193-Y211 HydrophobicContact CD1-CD2 3.68Å; F193-Y211 AromaticContact CD1-CE1 3.91Å; F193-Y211 HydrophobicContact CD1-CE1 3.91Å; F193-Y211 AromaticContact CD1-CE2 3.42Å; F193-Y211 HydrophobicContact CD1-CE2 3.42Å; F193-Y211 VanDerWaalsContact CD1-CE2 3.42Å; F193-Y211 AromaticContact CD1-CG 3.98Å; F193-Y211 HydrophobicContact CD1-CG 3.98Å; F193-Y211 AromaticContact CD1-CZ 3.58Å; F193-Y211 HydrophobicContact CD2-CE1 4.43Å; F193-Y211 AromaticContact CE1-CD1 3.66Å; F193-Y211 HydrophobicContact CE1-CD1 3.66Å; F193-Y211 AromaticContact CE1-CD2 3.96Å; F193-Y211 HydrophobicContact CE1-CD2 3.96Å; F193-Y211 AromaticContact CE1-CE1 3.78Å; F193-Y211 HydrophobicContact CE1-CE1 3.78Å; F193-Y211 HydrophobicContact CE1-CE2 4.03Å; F193-Y211 AromaticContact CE1-CG 3.76Å; F193-Y211 HydrophobicContact CE1-CG 3.76Å; F193-Y211 AromaticContact CE1-CZ 3.97Å; F193-Y211 HydrophobicContact CE2-CE1 4.28Å; F193-Y211 HydrophobicContact CG-CE1 4.23Å; F193-Y211 AromaticContact CG-CE2 3.85Å; F193-Y211 HydrophobicContact CG-CE2 3.85Å; F193-Y211 AromaticContact CG-CZ 3.71Å; F193-Y211 HydrophobicContact CZ-CD1 4.05Å; F193-Y211 AromaticContact CZ-CE1 3.98Å; F193-Y211 HydrophobicContact CZ-CE1 3.98Å; F193-Y211 PolarHBondContact O-OH 3.36Å; F193-Y214 AromaticContact CE1-CE2 3.99Å; F193-Y214 HydrophobicContact CE1-CE2 3.99Å; F193-Y214 HydrophobicContact CZ-CE2 4.39Å; F193-W246 HydrophobicContact CB-CH2 3.78Å; F193-W246 HydrophobicContact CB-CZ3 3.56Å; F193-W246 HydrophobicContact CD1-CH2 4.27Å; F193-W246 HydrophobicContact CG-CH2 4.15Å; F193-W246 HydrophobicContact CG-CZ3 4.37Å; F193-L247 HydrophobicContact CD1-CD1 4.06Å; F193-L247 HydrophobicContact CD1-CD2 4.35Å
194	L	98.8	Very high	98.7	Very high	39 Å²	39	46 Å²	46	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-44.9	178.8	-73	174.7	0	0	0	112.5	K190 Y192 S196 L197 L198 W246 E250	K190-L194 HydrophobicContact CG-CD1 3.93Å; K190-L194 WeakPolarHBondContact O-CB 3.2Å; K190-L194 WeakPolarHBondContact O-CG 3.48Å; K190-L194 PolarHBondContact O-N 3.23Å; K190-L194 VanDerWaalsContact O-N 3.08Å; Y192-L194 PolarHBondContact O-N 2.81Å; L194-S196 VanDerWaalsContact C-N 3.35Å; L194-S196 PolarHBondContact O-N 3.13Å; L194-L197 PolarHBondContact O-N 3.22Å; L194-L198 WeakPolarHBondContact O-CB 3.37Å; L194-L198 WeakPolarHBondContact O-CD1 3.45Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 2.95Å; L194-W246 HydrophobicContact CD1-CE3 4.14Å; L194-W246 HydrophobicContact CD2-CE3 3.78Å; L194-W246 HydrophobicContact CD2-CZ3 4.41Å; L194-W246 WeakPolarHBondContact CD2-O 3.42Å; L194-W246 HydrophobicContact CG-CE3 3.7Å; L194-W246 HydrophobicContact CG-CZ3 4.1Å; L194-E250 HydrophobicContact CD2-CB 3.72Å; L194-E250 HydrophobicContact CD2-CG 3.94Å
195	R	98.6	Very high	98.7	Very high	101 Å²	101	47.9 Å²	47.9	38%	0.381	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-39	-177.9	-75.8	-173.9	176.9	-157.4	0.4	111.9	F113 R191 Y192 L198 V199	F113-R195 VanDerWaalsContact CB-NH1 3.27Å; R191-R195 HydrophobicContact CG-CG 4.3Å; R191-R195 VanDerWaalsContact O-CB 3.3Å; R191-R195 WeakPolarHBondContact O-CB 3.18Å; R191-R195 VanDerWaalsContact O-CG 3.28Å; R191-R195 WeakPolarHBondContact O-CG 3.37Å; R191-R195 PolarHBondContact O-N 2.96Å; Y192-R195 PolarHBondContact O-N 3.18Å; R195-L198 PolarHBondContact O-N 3.44Å; R195-V199 VanDerWaalsContact O-CG2 3.26Å; R195-V199 WeakPolarHBondContact O-CG2 3.47Å; R195-V199 PolarHBondContact O-N 2.99Å
196	S	98.8	Very high	98.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-51.5	176	-61.2	0	0	0	0	111.4	H116 Y192 L194 L198 V199 G200 Y211	H116-S196 PolarHBondContact NE2-OG 3.12Å; Y192-S196 WeakPolarHBondContact O-CB 3.36Å; Y192-S196 PolarHBondContact O-N 2.97Å; Y192-S196 PolarHBondContact O-OG 2.83Å; L194-S196 VanDerWaalsContact C-N 3.35Å; L194-S196 PolarHBondContact O-N 3.13Å; S196-L198 PolarHBondContact O-N 3.28Å; S196-V199 PolarHBondContact O-N 3.19Å; S196-G200 PolarHBondContact O-N 3.5Å; S196-G200 VanDerWaalsContact O-N 3.09Å; S196-Y211 WeakPolarHBondContact CB-OH 3.49Å
197	L	98.9	Very high	98.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-42.1	177.5	-67.3	173.5	0	0	0	112.2	L138 F193 L194 V199 G200 K201 W209 Y211 L247 E250	L138-L197 HydrophobicContact CD1-CD2 4.15Å; F193-L197 WeakPolarHBondContact O-CG 3.42Å; F193-L197 PolarHBondContact O-N 2.94Å; L194-L197 PolarHBondContact O-N 3.22Å; L197-V199 PolarHBondContact O-N 2.81Å; L197-G200 PolarHBondContact O-N 2.83Å; L197-K201 WeakPolarHBondContact O-CB 3.5Å; L197-K201 VanDerWaalsContact O-CG 3.29Å; L197-K201 WeakPolarHBondContact O-CG 3.49Å; L197-K201 PolarHBondContact O-N 2.99Å; L197-W209 HydrophobicContact CD2-CB 3.93Å; L197-Y211 HydrophobicContact CD1-CD2 4.25Å; L197-Y211 HydrophobicContact CD1-CE2 3.9Å; L197-Y211 HydrophobicContact CD2-CD2 4.22Å; L197-Y211 HydrophobicContact CD2-CE2 3.95Å; L197-Y211 HydrophobicContact CG-CD2 4.36Å; L197-Y211 HydrophobicContact CG-CE2 3.73Å; L197-L247 HydrophobicContact CD1-CD1 3.82Å; L197-E250 HydrophobicContact CB-CG 3.73Å; L197-E250 HydrophobicContact CD1-CB 3.97Å; L197-E250 HydrophobicContact CD1-CG 3.91Å; L197-E250 HydrophobicContact CG-CG 4.49Å
198	L	98.8	Very high	98.6	Very high	86 Å²	86	43.5 Å²	43.5	45%	0.45	20%	0.202	S	C	.	.	H	α-helix	trans	-63.6	-41.1	-179.9	-75.8	167.4	0	0	0	112.4	L194 R195 S196 R202 E250	L194-L198 WeakPolarHBondContact O-CB 3.37Å; L194-L198 WeakPolarHBondContact O-CD1 3.45Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 2.95Å; R195-L198 PolarHBondContact O-N 3.44Å; S196-L198 PolarHBondContact O-N 3.28Å; L198-R202 VanDerWaalsContact O-CB 3.23Å; L198-R202 WeakPolarHBondContact O-CB 3.32Å; L198-R202 PolarHBondContact O-N 3.47Å; L198-E250 WeakPolarHBondContact CD2-OE1 3.33Å; L198-E250 HydrophobicContact CG-CG 4.39Å
199	V	98.7	Very high	98.6	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-47.9	176.4	172.6	0	0	0	0	110	R117 A120 E121 I124 R195 S196 L197 R202 L203	R117-V199 HydrophobicContact CG-CG2 3.82Å; A120-V199 HydrophobicContact CB-CG1 4.4Å; E121-V199 HydrophobicContact CG-CG1 3.82Å; I124-V199 HydrophobicContact CD1-CG1 3.76Å; R195-V199 VanDerWaalsContact O-CG2 3.26Å; R195-V199 WeakPolarHBondContact O-CG2 3.47Å; R195-V199 PolarHBondContact O-N 2.99Å; S196-V199 PolarHBondContact O-N 3.19Å; L197-V199 PolarHBondContact O-N 2.81Å; V199-R202 PolarHBondContact O-N 2.87Å; V199-L203 HydrophobicContact CG1-CD1 4.26Å; V199-L203 PolarHBondContact O-N 3.09Å
200	G	98.6	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.2	-55.8	175.7	0	0	0	0	0	112.7	S196 L197 R202 L203 R204 W209	S196-G200 PolarHBondContact O-N 3.5Å; S196-G200 VanDerWaalsContact O-N 3.09Å; L197-G200 PolarHBondContact O-N 2.83Å; G200-R202 VanDerWaalsContact C-N 3.31Å; G200-R202 PolarHBondContact O-N 2.96Å; G200-L203 PolarHBondContact O-N 3.04Å; G200-R204 PolarHBondContact O-N 3.14Å; G200-W209 PolarHBondContact O-NE1 3.29Å
201	K	98.6	Very high	98.6	Very high	58 Å²	58	39.2 Å²	39.2	25%	0.252	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-34.7	-179.3	-71.1	168.9	64.7	-179.1	0	113.3	L197 P205 W209 E250 T252	L197-K201 WeakPolarHBondContact O-CB 3.5Å; L197-K201 VanDerWaalsContact O-CG 3.29Å; L197-K201 WeakPolarHBondContact O-CG 3.49Å; L197-K201 PolarHBondContact O-N 2.99Å; K201-P205 VanDerWaalsContact O-CA 3.3Å; K201-P205 WeakPolarHBondContact O-CA 3.2Å; K201-P205 WeakPolarHBondContact O-CB 3.03Å; K201-W209 HydrophobicContact CG-CB 4.12Å; K201-W209 HydrophobicContact CG-CG 3.99Å; K201-E250 WeakPolarHBondContact CD-O 3.34Å; K201-E250 WeakPolarHBondContact CD-OE1 3.2Å; K201-E250 WeakPolarHBondContact CE-OE1 3.25Å; K201-E250 PolarHBondContact NZ-O 3.18Å; K201-E250 IonicContact NZ-OE1 3.66Å; K201-E250 PolarHBondContact NZ-OE1 3Å; K201-T252 HydrophobicContact CD-CG2 4.04Å; K201-T252 HydrophobicContact CG-CG2 4.4Å
202	R	98.4	Very high	98.6	Very high	140 Å²	140	34.7 Å²	34.7	53%	0.528	17%	0.165	S	C	.	.	H	α-helix	trans	-68.1	-42	176.8	-178.5	-160.5	60.7	177.7	-9.7	111.2	E121 L198 V199 G200	E121-R202 VanDerWaalsContact CD-NH2 3.29Å; E121-R202 VanDerWaalsContact CG-NH2 3.35Å; E121-R202 IonicContact OE1-CZ 2.6Å; E121-R202 VanDerWaalsContact OE1-CZ 3.26Å; E121-R202 IonicContact OE1-NH1 3.48Å; E121-R202 PolarHBondContact OE1-NH1 3.49Å; E121-R202 IonicContact OE1-NH2 3.26Å; E121-R202 PolarHBondContact OE1-NH2 2.76Å; L198-R202 VanDerWaalsContact O-CB 3.23Å; L198-R202 WeakPolarHBondContact O-CB 3.32Å; L198-R202 PolarHBondContact O-N 3.47Å; V199-R202 PolarHBondContact O-N 2.87Å; G200-R202 VanDerWaalsContact C-N 3.31Å; G200-R202 PolarHBondContact O-N 2.96Å
203	L	98.6	Very high	98.5	Very high	37 Å²	37	35.8 Å²	35.8	19%	0.194	17%	0.171	C	C	.	.	H	α-helix	trans	-81.2	-36.7	-177.5	-71.6	-174.4	0	0	0	112.9	E121 I124 V199 G200	E121-L203 HydrophobicContact CB-CD1 4.1Å; E121-L203 HydrophobicContact CG-CD1 3.98Å; I124-L203 HydrophobicContact CB-CD1 4.07Å; I124-L203 HydrophobicContact CD1-CD1 4.09Å; I124-L203 HydrophobicContact CG2-CB 4.03Å; I124-L203 HydrophobicContact CG2-CD1 3.96Å; V199-L203 HydrophobicContact CG1-CD1 4.26Å; V199-L203 PolarHBondContact O-N 3.09Å; G200-L203 PolarHBondContact O-N 3.04Å
204	R	98.5	Very high	98.5	Very high	27 Å²	27	36.6 Å²	36.6	10%	0.102	17%	0.174	C	C	.	.			trans	-132.8	70.7	-175.6	-57.6	-61.8	177.5	-87	-6.6	111	I124 I128 D131 G200 N206 R207 W209	I124-R204 HydrophobicContact CG2-CG 3.72Å; I128-R204 HydrophobicContact CB-CG 4.28Å; I128-R204 HydrophobicContact CG2-CG 3.9Å; I128-R204 PolarHBondContact O-NE 3.02Å; I128-R204 PolarHBondContact O-NH2 3.11Å; D131-R204 WeakPolarHBondContact OD1-CA 3.28Å; G200-R204 PolarHBondContact O-N 3.14Å; R204-N206 PolarHBondContact O-N 3.2Å; R204-R207 HydrophobicContact CB-CB 4.11Å; R204-R207 HydrophobicContact CB-CG 3.76Å; R204-R207 WeakPolarHBondContact O-CB 3.45Å; R204-R207 PolarHBondContact O-N 3.12Å; R204-R207 VanDerWaalsContact O-N 3.16Å; R204-W209 HydrophobicContact CB-CZ2 4.15Å; R204-W209 PolarHBondContact O-NE1 3.26Å; R204-W209 VanDerWaalsContact O-NE1 3.11Å
205	P	97.9	Very high	98.5	Very high	84 Å²	84	34.9 Å²	34.9	55%	0.545	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.1	-177	26.6	-36.5	0	0	0	114.3	D131 K201 R207	D131-P205 WeakPolarHBondContact OD2-CD 3.44Å; D131-P205 WeakPolarHBondContact OD2-CG 3.23Å; K201-P205 VanDerWaalsContact O-CA 3.3Å; K201-P205 WeakPolarHBondContact O-CA 3.2Å; K201-P205 WeakPolarHBondContact O-CB 3.03Å; P205-R207 VanDerWaalsContact C-N 3.29Å
206	N	96.9	Very high	98.5	Very high	90 Å²	90	30.6 Å²	30.6	48%	0.481	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.1	176	-63.5	-42.9	0	0	0	112.9	D131 P133 R204	D131-N206 PolarHBondContact O-ND2 3.43Å; D131-N206 VanDerWaalsContact O-ND2 3.13Å; D131-N206 WeakPolarHBondContact OD1-CB 3.3Å; D131-N206 PolarHBondContact OD1-N 3.36Å; D131-N206 PolarHBondContact OD2-ND2 2.7Å; P133-N206 WeakPolarHBondContact CA-O 3.21Å; R204-N206 PolarHBondContact O-N 3.2Å
207	R	98.3	Very high	98.4	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.7	172.7	-66	-68	179.6	143.5	-2.4	110.9	Q79 S80 I128 Q132 G134 L135 A136 R204 P205 W209	Q79-R207 VanDerWaalsContact O-CZ 3.24Å; Q79-R207 PolarHBondContact O-NH1 3.02Å; Q79-R207 PolarHBondContact O-NH2 2.8Å; S80-R207 PolarHBondContact O-NH1 2.98Å; I128-R207 HydrophobicContact CD1-CG 4.29Å; I128-R207 HydrophobicContact CG2-CG 4.36Å; Q132-R207 WeakPolarHBondContact O-CD 3.45Å; Q132-R207 PolarHBondContact O-NE 2.85Å; G134-R207 CarbonylContact O-C 3.53Å; G134-R207 WeakPolarHBondContact O-CA 3.48Å; L135-R207 PolarHBondContact O-NH1 3.42Å; A136-R207 HydrophobicContact CB-CB 4.02Å; R204-R207 HydrophobicContact CB-CB 4.11Å; R204-R207 HydrophobicContact CB-CG 3.76Å; R204-R207 WeakPolarHBondContact O-CB 3.45Å; R204-R207 PolarHBondContact O-N 3.12Å; R204-R207 VanDerWaalsContact O-N 3.16Å; P205-R207 VanDerWaalsContact C-N 3.29Å; R207-W209 PolarHBondContact O-N 3.21Å
208	L	98.7	Very high	98.4	Very high	32 Å²	32	31.9 Å²	31.9	17%	0.168	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	109.1	171.9	-57.7	-176.3	0	0	0	109	V36 G134 L135 A136 T252 A253 Y255 Y297	V36-L208 HydrophobicContact CG2-CD1 3.72Å; V36-L208 HydrophobicContact CG2-CG 4.39Å; G134-L208 PolarHBondContact O-N 2.84Å; L135-L208 HydrophobicContact CD2-CB 3.97Å; L135-L208 HydrophobicContact CD2-CD1 3.87Å; L135-L208 HydrophobicContact CD2-CG 4.29Å; A136-L208 PolarHBondContact N-O 3.39Å; L208-T252 VanDerWaalsContact CA-OG1 3.26Å; L208-T252 WeakPolarHBondContact CA-OG1 3.42Å; L208-A253 HydrophobicContact CB-CB 3.79Å; L208-A253 HydrophobicContact CD1-CB 4.42Å; L208-Y255 PolarHBondContact O-OH 2.78Å; L208-Y297 HydrophobicContact CD1-CE2 3.62Å
209	W	98.9	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.5	-178.8	-69.3	90.4	0	0	0	112.7	F84 F89 I124 I128 A136 L138 L197 G200 K201 R204 R207 T252 A253	F84-W209 HydrophobicContact CD2-CZ3 4.35Å; F84-W209 AromaticContact CE2-CH2 3.85Å; F84-W209 HydrophobicContact CE2-CH2 3.85Å; F84-W209 AromaticContact CE2-CZ3 3.97Å; F84-W209 HydrophobicContact CE2-CZ3 3.97Å; F84-W209 HydrophobicContact CZ-CH2 4.24Å; F89-W209 HydrophobicContact CE2-CH2 4.32Å; F89-W209 AromaticContact CE2-CZ3 3.99Å; F89-W209 HydrophobicContact CE2-CZ3 3.99Å; I124-W209 HydrophobicContact CD1-CH2 4.12Å; I124-W209 HydrophobicContact CG1-CH2 3.96Å; I128-W209 HydrophobicContact CD1-CH2 4.33Å; I128-W209 HydrophobicContact CD1-CZ2 4.29Å; A136-W209 HydrophobicContact CB-CD2 3.52Å; A136-W209 HydrophobicContact CB-CE3 3.56Å; A136-W209 HydrophobicContact CB-CG 4.18Å; A136-W209 HydrophobicContact CB-CH2 3.74Å; A136-W209 HydrophobicContact CB-CZ2 3.73Å; A136-W209 HydrophobicContact CB-CZ3 3.67Å; A136-W209 WeakPolarHBondContact O-CA 3.2Å; L138-W209 HydrophobicContact CD2-CZ3 4.09Å; L197-W209 HydrophobicContact CD2-CB 3.93Å; G200-W209 PolarHBondContact O-NE1 3.29Å; K201-W209 HydrophobicContact CG-CB 4.12Å; K201-W209 HydrophobicContact CG-CG 3.99Å; R204-W209 HydrophobicContact CB-CZ2 4.15Å; R204-W209 PolarHBondContact O-NE1 3.26Å; R204-W209 VanDerWaalsContact O-NE1 3.11Å; R207-W209 PolarHBondContact O-N 3.21Å; W209-T252 PolarHBondContact N-OG1 3.21Å; W209-T252 PolarHBondContact O-N 3.04Å; W209-T252 PolarHBondContact O-OG1 3.43Å; W209-A253 PolarHBondContact O-N 2.84Å
210	G	98.8	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	173.2	174.3	0	0	0	0	0	111.8	A136 L138	A136-G210 PolarHBondContact O-N 2.74Å; L138-G210 PolarHBondContact N-O 3.37Å
211	Y	98.9	Very high	97.9	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.1	177.6	-76.9	-89.4	0	0	0	110.8	L138 F140 F193 S196 L197 L247	L138-Y211 HydrophobicContact CB-CD1 3.58Å; L138-Y211 HydrophobicContact CB-CE1 3.48Å; L138-Y211 VanDerWaalsContact CB-CE1 3.48Å; L138-Y211 HydrophobicContact CB-CG 4.21Å; L138-Y211 HydrophobicContact CD1-CD1 4.46Å; L138-Y211 HydrophobicContact CD1-CE1 3.74Å; L138-Y211 HydrophobicContact CD1-CE2 3.92Å; L138-Y211 VanDerWaalsContact CD1-CZ 3.42Å; L138-Y211 WeakPolarHBondContact CD1-OH 3.15Å; L138-Y211 HydrophobicContact CG-CE1 4.26Å; L138-Y211 WeakPolarHBondContact O-CA 3.18Å; L138-Y211 WeakPolarHBondContact O-CD1 3.49Å; F140-Y211 HydrophobicContact CD2-CD1 4.35Å; F140-Y211 AromaticContact CD2-CE1 3.55Å; F140-Y211 HydrophobicContact CD2-CE1 3.55Å; F140-Y211 AromaticContact CE2-CE1 3.94Å; F140-Y211 HydrophobicContact CE2-CE1 3.94Å; F140-Y211 HydrophobicContact CG-CE1 4.36Å; F193-Y211 VanDerWaalsContact CA-OH 3.28Å; F193-Y211 WeakPolarHBondContact CA-OH 2.99Å; F193-Y211 HydrophobicContact CB-CE2 4.02Å; F193-Y211 HydrophobicContact CD1-CD1 4.08Å; F193-Y211 AromaticContact CD1-CD2 3.68Å; F193-Y211 HydrophobicContact CD1-CD2 3.68Å; F193-Y211 AromaticContact CD1-CE1 3.91Å; F193-Y211 HydrophobicContact CD1-CE1 3.91Å; F193-Y211 AromaticContact CD1-CE2 3.42Å; F193-Y211 HydrophobicContact CD1-CE2 3.42Å; F193-Y211 VanDerWaalsContact CD1-CE2 3.42Å; F193-Y211 AromaticContact CD1-CG 3.98Å; F193-Y211 HydrophobicContact CD1-CG 3.98Å; F193-Y211 AromaticContact CD1-CZ 3.58Å; F193-Y211 HydrophobicContact CD2-CE1 4.43Å; F193-Y211 AromaticContact CE1-CD1 3.66Å; F193-Y211 HydrophobicContact CE1-CD1 3.66Å; F193-Y211 AromaticContact CE1-CD2 3.96Å; F193-Y211 HydrophobicContact CE1-CD2 3.96Å; F193-Y211 AromaticContact CE1-CE1 3.78Å; F193-Y211 HydrophobicContact CE1-CE1 3.78Å; F193-Y211 HydrophobicContact CE1-CE2 4.03Å; F193-Y211 AromaticContact CE1-CG 3.76Å; F193-Y211 HydrophobicContact CE1-CG 3.76Å; F193-Y211 AromaticContact CE1-CZ 3.97Å; F193-Y211 HydrophobicContact CE2-CE1 4.28Å; F193-Y211 HydrophobicContact CG-CE1 4.23Å; F193-Y211 AromaticContact CG-CE2 3.85Å; F193-Y211 HydrophobicContact CG-CE2 3.85Å; F193-Y211 AromaticContact CG-CZ 3.71Å; F193-Y211 HydrophobicContact CZ-CD1 4.05Å; F193-Y211 AromaticContact CZ-CE1 3.98Å; F193-Y211 HydrophobicContact CZ-CE1 3.98Å; F193-Y211 PolarHBondContact O-OH 3.36Å; S196-Y211 WeakPolarHBondContact CB-OH 3.49Å; L197-Y211 HydrophobicContact CD1-CD2 4.25Å; L197-Y211 HydrophobicContact CD1-CE2 3.9Å; L197-Y211 HydrophobicContact CD2-CD2 4.22Å; L197-Y211 HydrophobicContact CD2-CE2 3.95Å; L197-Y211 HydrophobicContact CG-CD2 4.36Å; L197-Y211 HydrophobicContact CG-CE2 3.73Å; Y211-L247 HydrophobicContact CD2-CD1 3.8Å; Y211-L247 HydrophobicContact CE2-CD1 4.13Å
212	Y	98.8	Very high	97.7	Very high	17 Å²	17	30.1 Å²	30.1	7%	0.067	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-57.1	150.3	165.4	169.7	-102.7	0	0	0	110.2	L138 D139 E141 Y214 S257 Y259 Y299	L138-Y212 PolarHBondContact O-N 2.92Å; D139-Y212 WeakPolarHBondContact OD1-CD1 3.42Å; E141-Y212 HydrophobicContact CG-CD1 4.14Å; E141-Y212 HydrophobicContact CG-CE1 4.21Å; E141-Y212 WeakPolarHBondContact OE1-CE1 3.28Å; Y212-Y214 WeakPolarHBondContact O-CD2 3.14Å; Y212-Y214 PolarHBondContact O-N 2.96Å; Y212-S257 PolarHBondContact OH-OG 3.01Å; Y212-Y259 WeakPolarHBondContact OH-CE2 3.19Å; Y212-Y299 HydrophobicContact CD2-CD1 4.05Å; Y212-Y299 AromaticContact CD2-CD2 3.79Å; Y212-Y299 HydrophobicContact CD2-CD2 3.79Å; Y212-Y299 HydrophobicContact CD2-CE1 4.35Å; Y212-Y299 HydrophobicContact CD2-CE2 4.09Å; Y212-Y299 AromaticContact CD2-CG 3.76Å; Y212-Y299 HydrophobicContact CD2-CG 3.76Å; Y212-Y299 AromaticContact CE2-CD1 3.95Å; Y212-Y299 HydrophobicContact CE2-CD1 3.95Å; Y212-Y299 HydrophobicContact CE2-CD2 4.23Å; Y212-Y299 AromaticContact CE2-CG 3.74Å; Y212-Y299 HydrophobicContact CE2-CG 3.74Å
213	L	97.3	Very high	97.2	Very high	23 Å²	23	28 Å²	28	12%	0.12	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-18.7	-177.8	-167.6	62.5	0	0	0	115.4	P215 D216 Y255	L213-P215 CarbonylContact O-C 3.51Å; L213-D216 HydrophobicContact CD1-CB 4.43Å; L213-D216 HydrophobicContact CG-CB 4.35Å; L213-D216 PolarHBondContact O-N 3.34Å; L213-Y255 PolarHBondContact N-O 3.07Å
214	Y	98.6	Very high	96.7	Very high	17 Å²	17	34.7 Å²	34.7	7%	0.067	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-94.4	131.8	-173.1	-68.8	-94.6	0	0	0	114.1	P145 F193 Y212 L244 L247 W248 Y255	P145-Y214 WeakPolarHBondContact CD-OH 3.27Å; P145-Y214 HydrophobicContact CG-CE1 4.35Å; F193-Y214 AromaticContact CE1-CE2 3.99Å; F193-Y214 HydrophobicContact CE1-CE2 3.99Å; F193-Y214 HydrophobicContact CZ-CE2 4.39Å; Y212-Y214 WeakPolarHBondContact O-CD2 3.14Å; Y212-Y214 PolarHBondContact O-N 2.96Å; Y214-L244 HydrophobicContact CD1-CD1 4.17Å; Y214-L244 HydrophobicContact CE1-CD1 4.18Å; Y214-L247 HydrophobicContact CD1-CD2 3.81Å; Y214-L247 HydrophobicContact CE1-CD2 4.4Å; Y214-L247 HydrophobicContact CG-CD2 4.03Å; Y214-W248 HydrophobicContact CD1-CH2 4.21Å; Y214-Y255 PolarHBondContact O-N 2.87Å
215	P	98.6	Very high	96.2	Very high	3 Å²	3	37 Å²	37	2%	0.019	19%	0.188	C	C	.	.	S	Bend	cis	-75.6	153.9	-7.7	35.4	-38.8	0	0	0	112.4	L213 W248 E280 A281 V284	L213-P215 CarbonylContact O-C 3.51Å; P215-W248 HydrophobicContact CB-CH2 3.95Å; P215-W248 HydrophobicContact CB-CZ2 4.39Å; P215-E280 HydrophobicContact CB-CG 4.31Å; P215-E280 HydrophobicContact CG-CG 4.18Å; P215-A281 HydrophobicContact CG-CB 4.06Å; P215-V284 HydrophobicContact CB-CG2 4.11Å; P215-V284 HydrophobicContact CG-CG2 3.59Å
216	D	98.3	Very high	95.9	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.053	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-97.2	140.5	161.9	-163.2	-15.1	0	0	0	109.2	L213 Y218 Y220 N241 R277	L213-D216 HydrophobicContact CD1-CB 4.43Å; L213-D216 HydrophobicContact CG-CB 4.35Å; L213-D216 PolarHBondContact O-N 3.34Å; D216-Y218 HydrophobicContact CB-CD2 3.9Å; D216-Y218 HydrophobicContact CB-CE2 3.63Å; D216-Y218 PolarHBondContact OD1-N 3.29Å; D216-Y220 VanDerWaalsContact CG-OH 3.29Å; D216-Y220 PolarHBondContact OD1-OH 3.31Å; D216-Y220 VanDerWaalsContact OD1-OH 3.05Å; D216-Y220 PolarHBondContact OD2-OH 2.77Å; D216-N241 PolarHBondContact O-ND2 3.05Å; D216-R277 IonicContact OD1-CZ 3.05Å; D216-R277 VanDerWaalsContact OD1-CZ 3.28Å; D216-R277 IonicContact OD1-NH1 2.69Å; D216-R277 PolarHBondContact OD1-NH1 3.13Å; D216-R277 IonicContact OD1-NH2 2.69Å; D216-R277 PolarHBondContact OD1-NH2 3.37Å; D216-R277 IonicContact OD2-NH2 2.64Å
217	C	98.1	Very high	95.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	18%	0.181	C	C	.	.			trans	-89	-21.8	178.1	177	0	0	0	0	112	N219 C233 P234 R277	C217-N219 PolarHBondContact O-N 3.08Å; C217-N219 VanDerWaalsContact O-N 3.16Å; C217-N219 VanDerWaalsContact SG-CB 3.56Å; C217-C233 HydrophobicContact CB-CB 4.06Å; C217-C233 WeakPolarHBondContact CB-SG 3.32Å; C217-C233 WeakPolarHBondContact SG-CA 3.39Å; C217-C233 WeakPolarHBondContact SG-CB 3.33Å; C217-C233 CovalentContact SG-SG 2.02Å; C217-C233 PolarHBondContact SG-SG 3.27Å; C217-P234 VanDerWaalsContact O-CD 3.27Å; C217-P234 WeakPolarHBondContact O-CD 3.35Å; C217-R277 HydrophobicContact CB-CB 4.41Å; C217-R277 HydrophobicContact CB-CG 3.63Å
218	Y	97.3	Very high	95.1	Very high	27 Å²	27	41.8 Å²	41.8	11%	0.106	22%	0.215	C	C	.	.			trans	53.7	28.6	-176.9	-68.1	-85.4	0	0	0	115.1	R149 W151 D216 Y220 E237	R149-Y218 VanDerWaalsContact CZ-CE2 3.48Å; W151-Y218 HydrophobicContact CZ2-CD1 4.32Å; W151-Y218 HydrophobicContact CZ2-CE1 4.02Å; D216-Y218 HydrophobicContact CB-CD2 3.9Å; D216-Y218 HydrophobicContact CB-CE2 3.63Å; D216-Y218 PolarHBondContact OD1-N 3.29Å; Y218-Y220 HydrophobicContact CD1-CD2 4.29Å; Y218-Y220 AromaticContact CD1-CE2 3.94Å; Y218-Y220 HydrophobicContact CD1-CE2 3.94Å; Y218-Y220 HydrophobicContact CG-CE2 4.4Å; Y218-Y220 PolarHBondContact O-N 3.08Å; Y218-E237 HydrophobicContact CD2-CB 4.42Å; Y218-E237 HydrophobicContact CD2-CG 4.25Å; Y218-E237 WeakPolarHBondContact CD2-OE2 3.44Å; Y218-E237 HydrophobicContact CG-CG 4.31Å
219	N	97.7	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.			trans	-81.1	49.2	177.3	59.6	-23.8	0	0	0	112.9	C217 Y229 G231 F273 R277	C217-N219 PolarHBondContact O-N 3.08Å; C217-N219 VanDerWaalsContact O-N 3.16Å; C217-N219 VanDerWaalsContact SG-CB 3.56Å; N219-Y229 WeakPolarHBondContact O-CE2 3.21Å; N219-Y229 PolarHBondContact O-OH 2.95Å; N219-G231 VanDerWaalsContact CB-O 3.28Å; N219-G231 WeakPolarHBondContact CB-O 3.32Å; N219-G231 PolarHBondContact ND2-O 2.93Å; N219-F273 PolarHBondContact ND2-O 3.13Å; N219-F273 WeakPolarHBondContact OD1-CE2 3.39Å; N219-R277 PolarHBondContact OD1-NH1 2.96Å
220	Y	96.1	Very high	94.8	Very high	56 Å²	56	43.3 Å²	43.3	22%	0.22	23%	0.228	C	C	.	.			trans	-94.9	11.5	-175.7	-53.5	-68.3	0	0	0	113.7	D216 Y218 Y222 N223 F273 R277	D216-Y220 VanDerWaalsContact CG-OH 3.29Å; D216-Y220 PolarHBondContact OD1-OH 3.31Å; D216-Y220 VanDerWaalsContact OD1-OH 3.05Å; D216-Y220 PolarHBondContact OD2-OH 2.77Å; Y218-Y220 HydrophobicContact CD1-CD2 4.29Å; Y218-Y220 AromaticContact CD1-CE2 3.94Å; Y218-Y220 HydrophobicContact CD1-CE2 3.94Å; Y218-Y220 HydrophobicContact CG-CE2 4.4Å; Y218-Y220 PolarHBondContact O-N 3.08Å; Y220-Y222 AromaticContact CD1-CE1 3.99Å; Y220-Y222 HydrophobicContact CD1-CE1 3.99Å; Y220-Y222 PolarHBondContact O-N 2.87Å; Y220-N223 WeakPolarHBondContact O-CB 3.38Å; Y220-N223 PolarHBondContact O-N 2.95Å; Y220-N223 VanDerWaalsContact O-N 3.15Å; Y220-N223 PolarHBondContact O-ND2 3.29Å; Y220-F273 AromaticContact CD1-CE2 3.93Å; Y220-F273 HydrophobicContact CD1-CE2 3.93Å; Y220-F273 AromaticContact CE1-CE2 3.82Å; Y220-F273 HydrophobicContact CE1-CE2 3.82Å; Y220-F273 HydrophobicContact CE1-CZ 4.1Å; Y220-R277 PolarHBondContact OH-NH1 3.44Å; Y220-R277 PolarHBondContact OH-NH2 3.49Å
221	D	93.8	Very high	94.7	Very high	57 Å²	57	43.3 Å²	43.3	31%	0.305	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67.9	-9.6	-178	55.9	-55.5	0	0	0	113.9	N223 Q224 D225 Y229	D221-N223 PolarHBondContact O-N 3.36Å; D221-N223 VanDerWaalsContact O-N 3.13Å; D221-Q224 WeakPolarHBondContact O-CA 3.29Å; D221-Q224 WeakPolarHBondContact O-CB 3.26Å; D221-Q224 PolarHBondContact O-N 2.9Å; D221-D225 PolarHBondContact O-N 2.91Å; D221-D225 VanDerWaalsContact O-N 3.09Å; D221-Y229 VanDerWaalsContact OD1-CE2 3.25Å; D221-Y229 WeakPolarHBondContact OD1-CE2 3.47Å
222	Y	92.9	Very high	94.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.016	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-55.9	-25.3	165.7	61.5	-102.8	0	0	0	112.8	Y220 Q224 Y229 E261 I263 L264 F273	Y220-Y222 AromaticContact CD1-CE1 3.99Å; Y220-Y222 HydrophobicContact CD1-CE1 3.99Å; Y220-Y222 PolarHBondContact O-N 2.87Å; Y222-Q224 PolarHBondContact O-N 3.43Å; Y222-Y229 HydrophobicContact CD1-CE1 4.35Å; Y222-Y229 AromaticContact CD1-CE2 3.86Å; Y222-Y229 HydrophobicContact CD1-CE2 3.86Å; Y222-Y229 AromaticContact CD1-CZ 3.7Å; Y222-Y229 HydrophobicContact CG-CE2 4.34Å; Y222-E261 VanDerWaalsContact CE2-OE2 3.28Å; Y222-E261 WeakPolarHBondContact CE2-OE2 3.33Å; Y222-E261 PolarHBondContact OH-OE2 3.07Å; Y222-I263 HydrophobicContact CD2-CG2 3.79Å; Y222-I263 HydrophobicContact CE2-CG2 3.73Å; Y222-L264 HydrophobicContact CD1-CD1 4.36Å; Y222-L264 HydrophobicContact CD1-CD2 4.2Å; Y222-L264 HydrophobicContact CD2-CD2 4.13Å; Y222-L264 HydrophobicContact CD2-CG 4.48Å; Y222-L264 HydrophobicContact CE1-CD1 4.05Å; Y222-L264 HydrophobicContact CE2-CG 4.47Å; Y222-L264 HydrophobicContact CG-CD2 3.94Å; Y222-F273 HydrophobicContact CD1-CD2 4.31Å; Y222-F273 AromaticContact CE1-CD2 3.82Å; Y222-F273 HydrophobicContact CE1-CD2 3.82Å; Y222-F273 AromaticContact CE1-CE2 3.9Å; Y222-F273 HydrophobicContact CE1-CE2 3.9Å
223	N	88.3	Confident	94.6	Very high	95 Å²	95	45.2 Å²	45.2	51%	0.508	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-70.4	-16.6	174.4	-73.2	-45.6	0	0	0	113.2	Y220 D221	Y220-N223 WeakPolarHBondContact O-CB 3.38Å; Y220-N223 PolarHBondContact O-N 2.95Å; Y220-N223 VanDerWaalsContact O-N 3.15Å; Y220-N223 PolarHBondContact O-ND2 3.29Å; D221-N223 PolarHBondContact O-N 3.36Å; D221-N223 VanDerWaalsContact O-N 3.13Å
224	Q	88.5	Confident	94.7	Very high	178 Å²	178	46.7 Å²	46.7	83%	0.832	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-50.5	177.8	-56.8	-179.8	19.9	0	0	110.6	D221 Y222	D221-Q224 WeakPolarHBondContact O-CA 3.29Å; D221-Q224 WeakPolarHBondContact O-CB 3.26Å; D221-Q224 PolarHBondContact O-N 2.9Å; Y222-Q224 PolarHBondContact O-N 3.43Å
225	D	88.6	Confident	94.6	Very high	76 Å²	76	53.1 Å²	53.1	41%	0.406	29%	0.285	S	S	.	.			trans	-148.6	114.3	178.5	-170	-10.5	0	0	0	111.4	D221 S227	D221-D225 PolarHBondContact O-N 2.91Å; D221-D225 VanDerWaalsContact O-N 3.09Å; D225-S227 WeakPolarHBondContact OD1-CB 3.29Å; D225-S227 PolarHBondContact OD1-N 2.85Å; D225-S227 PolarHBondContact OD1-OG 2.8Å; D225-S227 PolarHBondContact OD2-OG 3.31Å
226	M	90.9	Very high	94.6	Very high	49 Å²	49	57.2 Å²	57.2	24%	0.241	31%	0.306	C	S	.	.	S	Bend	trans	-82.4	-18.8	178.9	-169	64.6	165.3	0	0	113.1	L264 Q269	M226-L264 HydrophobicContact CE-CD2 3.71Å; M226-L264 HydrophobicContact SD-CD2 4.09Å; M226-Q269 HydrophobicContact CE-CB 3.36Å; M226-Q269 HydrophobicContact CE-CG 3.61Å; M226-Q269 HydrophobicContact CG-CG 4.39Å; M226-Q269 PolarHBondContact O-NE2 2.88Å; M226-Q269 HydrophobicContact SD-CB 3.85Å; M226-Q269 HydrophobicContact SD-CG 3.73Å
227	S	88.6	Confident	94.6	Very high	90 Å²	90	57.7 Å²	57.7	63%	0.629	31%	0.308	S	S	*	.	S	Bend	trans	-76.1	-40.3	-172	66.7	0	0	0	0	112.8	D225	D225-S227 WeakPolarHBondContact OD1-CB 3.29Å; D225-S227 PolarHBondContact OD1-N 2.85Å; D225-S227 PolarHBondContact OD1-OG 2.8Å; D225-S227 PolarHBondContact OD2-OG 3.31Å
228	D	89.4	Confident	94.6	Very high	139 Å²	139	60.7 Å²	60.7	74%	0.743	32%	0.322	S	S	*	.	S	Bend	trans	-102.9	12.1	178.1	-70.9	-24.5	0	0	0	112.9	S230	D228-S230 PolarHBondContact O-N 2.86Å; D228-S230 VanDerWaalsContact O-N 3.16Å
229	Y	96.2	Very high	94.7	Very high	9 Å²	9	64.2 Å²	64.2	4%	0.035	34%	0.34	C	S	.	.			trans	-65.2	114.2	-178	-179.5	-109.2	0	0	0	112.2	N219 D221 Y222 G231 Q269 L272 F273	N219-Y229 WeakPolarHBondContact O-CE2 3.21Å; N219-Y229 PolarHBondContact O-OH 2.95Å; D221-Y229 VanDerWaalsContact OD1-CE2 3.25Å; D221-Y229 WeakPolarHBondContact OD1-CE2 3.47Å; Y222-Y229 HydrophobicContact CD1-CE1 4.35Å; Y222-Y229 AromaticContact CD1-CE2 3.86Å; Y222-Y229 HydrophobicContact CD1-CE2 3.86Å; Y222-Y229 AromaticContact CD1-CZ 3.7Å; Y222-Y229 HydrophobicContact CG-CE2 4.34Å; Y229-G231 VanDerWaalsContact CZ-CA 3.41Å; Y229-G231 WeakPolarHBondContact OH-CA 3.34Å; Y229-Q269 HydrophobicContact CD1-CB 3.74Å; Y229-Q269 HydrophobicContact CD1-CG 3.79Å; Y229-Q269 HydrophobicContact CE1-CB 4.22Å; Y229-L272 HydrophobicContact CE1-CB 4.49Å; Y229-L272 WeakPolarHBondContact O-CD1 3.45Å; Y229-F273 HydrophobicContact CE1-CB 4.19Å; Y229-F273 WeakPolarHBondContact OH-CB 3.06Å; Y229-F273 WeakPolarHBondContact OH-CD2 3.43Å
230	S	95.6	Very high	94.7	Very high	56 Å²	56	66.2 Å²	66.2	39%	0.392	35%	0.347	S	S	.	.			trans	-91.1	-16.8	-179.5	73.8	0	0	0	0	114.1	D228 S232 H276	D228-S230 PolarHBondContact O-N 2.86Å; D228-S230 VanDerWaalsContact O-N 3.16Å; S230-S232 PolarHBondContact O-N 2.91Å; S230-S232 WeakPolarHBondContact OG-CB 3.46Å; S230-S232 PolarHBondContact OG-N 3.39Å; S230-S232 PolarHBondContact OG-OG 3.46Å; S230-H276 PolarHBondContact O-CE1 2.81Å
231	G	97.2	Very high	94.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.337	C	S	.	.			trans	74.9	-7.4	-170.6	0	0	0	0	0	115.5	N219 Y229 H276	N219-G231 VanDerWaalsContact CB-O 3.28Å; N219-G231 WeakPolarHBondContact CB-O 3.32Å; N219-G231 PolarHBondContact ND2-O 2.93Å; Y229-G231 VanDerWaalsContact CZ-CA 3.41Å; Y229-G231 WeakPolarHBondContact OH-CA 3.34Å; G231-H276 VanDerWaalsContact C-ND1 3.31Å; G231-H276 WeakPolarHBondContact O-CB 3.44Å; G231-H276 PolarHBondContact O-ND1 3.12Å
232	S	97.4	Very high	95.1	Very high	51 Å²	51	64 Å²	64	36%	0.357	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-60.5	139.9	-175.6	-53.1	0	0	0	0	112.3	S230	S230-S232 PolarHBondContact O-N 2.91Å; S230-S232 WeakPolarHBondContact OG-CB 3.46Å; S230-S232 PolarHBondContact OG-N 3.39Å; S230-S232 PolarHBondContact OG-OG 3.46Å
233	C	98.3	Very high	95.4	Very high	9 Å²	9	70 Å²	70	6%	0.061	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-66.4	127.7	167.9	-47.7	0	0	0	0	108.7	C217 E235 Q238	C217-C233 HydrophobicContact CB-CB 4.06Å; C217-C233 WeakPolarHBondContact CB-SG 3.32Å; C217-C233 WeakPolarHBondContact SG-CA 3.39Å; C217-C233 WeakPolarHBondContact SG-CB 3.33Å; C217-C233 CovalentContact SG-SG 2.02Å; C217-C233 PolarHBondContact SG-SG 3.27Å; C233-E235 PolarHBondContact O-N 2.93Å; C233-Q238 HydrophobicContact CB-CG 3.96Å; C233-Q238 PolarHBondContact O-NE2 3.26Å
234	P	97.6	Very high	95.8	Very high	54 Å²	54	65.5 Å²	65.5	35%	0.351	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-53.7	139.7	175.2	-25.3	34.6	0	0	0	111.1	C217 L236 E237 Q238	C217-P234 VanDerWaalsContact O-CD 3.27Å; C217-P234 WeakPolarHBondContact O-CD 3.35Å; P234-L236 VanDerWaalsContact C-N 3.27Å; P234-L236 PolarHBondContact O-N 2.84Å; P234-E237 HydrophobicContact CB-CB 4.37Å; P234-E237 HydrophobicContact CB-CG 4.01Å; P234-E237 HydrophobicContact CG-CG 4.21Å; P234-E237 WeakPolarHBondContact O-CA 3.42Å; P234-E237 WeakPolarHBondContact O-CB 3.3Å; P234-E237 PolarHBondContact O-N 2.91Å; P234-Q238 PolarHBondContact O-N 3.21Å; P234-Q238 VanDerWaalsContact O-N 3.17Å
235	E	97.8	Very high	96.3	Very high	151 Å²	151	59.7 Å²	59.7	71%	0.706	32%	0.317	S	S	*	.	H	α-helix	trans	-55.2	-43.9	-176.4	-175.6	174.8	-165.1	0	0	111.8	C233 E237 Q238 E239	C233-E235 PolarHBondContact O-N 2.93Å; E235-E237 PolarHBondContact O-N 3.36Å; E235-Q238 WeakPolarHBondContact O-CB 3.46Å; E235-Q238 PolarHBondContact O-N 2.95Å; E235-Q238 VanDerWaalsContact O-N 3.08Å; E235-E239 PolarHBondContact O-N 2.74Å
236	L	98.1	Very high	96.8	Very high	89 Å²	89	58 Å²	58	47%	0.466	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-31.6	175.2	-178.3	61.7	0	0	0	113.1	P234 R240	P234-L236 VanDerWaalsContact C-N 3.27Å; P234-L236 PolarHBondContact O-N 2.84Å; L236-R240 WeakPolarHBondContact O-CB 3.48Å; L236-R240 WeakPolarHBondContact O-CD 3.44Å; L236-R240 WeakPolarHBondContact O-CG 3.46Å; L236-R240 PolarHBondContact O-N 2.89Å
237	E	98.3	Very high	97.2	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.093	29%	0.293	C	S	.	.	H	α-helix	trans	-79.2	-30.9	179.2	-62.4	-62	150.8	0	0	112	R149 Y218 P234 E235 R240 N241	R149-E237 IonicContact CZ-OE2 2.99Å; R149-E237 IonicContact NE-OE2 2.89Å; R149-E237 PolarHBondContact NE-OE2 2.83Å; R149-E237 VanDerWaalsContact NE-OE2 3.09Å; R149-E237 PolarHBondContact NH2-O 3.21Å; R149-E237 IonicContact NH2-OE2 3.89Å; R149-E237 PolarHBondContact NH2-OE2 2.85Å; Y218-E237 HydrophobicContact CD2-CB 4.42Å; Y218-E237 HydrophobicContact CD2-CG 4.25Å; Y218-E237 WeakPolarHBondContact CD2-OE2 3.44Å; Y218-E237 HydrophobicContact CG-CG 4.31Å; P234-E237 HydrophobicContact CB-CB 4.37Å; P234-E237 HydrophobicContact CB-CG 4.01Å; P234-E237 HydrophobicContact CG-CG 4.21Å; P234-E237 WeakPolarHBondContact O-CA 3.42Å; P234-E237 WeakPolarHBondContact O-CB 3.3Å; P234-E237 PolarHBondContact O-N 2.91Å; E235-E237 PolarHBondContact O-N 3.36Å; E237-R240 PolarHBondContact O-N 3.09Å; E237-R240 IonicContact OE1-CZ 3.69Å; E237-R240 IonicContact OE1-NE 3.56Å; E237-R240 IonicContact OE1-NH1 2.68Å; E237-R240 PolarHBondContact OE1-NH1 2.92Å; E237-R240 WeakPolarHBondContact OE2-CD 3.41Å; E237-R240 IonicContact OE2-NH1 2.79Å; E237-N241 WeakPolarHBondContact O-CB 3.27Å; E237-N241 PolarHBondContact O-N 2.95Å; E237-N241 PolarHBondContact O-ND2 3.21Å
238	Q	98.6	Very high	97.7	Very high	65 Å²	65	51.4 Å²	51.4	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-43.6	169.1	-62.1	178.6	53.5	0	0	110.9	C233 P234 E235 R240 N241 D242 R283	C233-Q238 HydrophobicContact CB-CG 3.96Å; C233-Q238 PolarHBondContact O-NE2 3.26Å; P234-Q238 PolarHBondContact O-N 3.21Å; P234-Q238 VanDerWaalsContact O-N 3.17Å; E235-Q238 WeakPolarHBondContact O-CB 3.46Å; E235-Q238 PolarHBondContact O-N 2.95Å; E235-Q238 VanDerWaalsContact O-N 3.08Å; Q238-R240 PolarHBondContact O-N 3.09Å; Q238-N241 CarbonylContact O-C 3.6Å; Q238-N241 WeakPolarHBondContact O-CB 3.36Å; Q238-N241 PolarHBondContact O-N 3.39Å; Q238-N241 VanDerWaalsContact O-N 3.12Å; Q238-D242 PolarHBondContact O-N 2.74Å; Q238-R283 PolarHBondContact O-NH2 3.38Å
239	E	98.6	Very high	98.1	Very high	101 Å²	101	51.1 Å²	51.1	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-44.5	174.1	-68.7	-180	166.2	0	0	111.6	E235 N241 D242 E243	E235-E239 PolarHBondContact O-N 2.74Å; E239-N241 VanDerWaalsContact C-N 3.28Å; E239-N241 PolarHBondContact O-N 2.73Å; E239-D242 WeakPolarHBondContact O-CA 3.46Å; E239-D242 WeakPolarHBondContact O-CB 3.43Å; E239-D242 PolarHBondContact O-N 2.92Å; E239-E243 PolarHBondContact O-N 3.08Å; E239-E243 VanDerWaalsContact O-N 3.11Å
240	R	98.6	Very high	98.2	Very high	41 Å²	41	52.5 Å²	52.5	16%	0.155	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-36.2	174.4	-76	167.5	179.9	-176.8	-0.9	112	Q146 V148 L236 E237 Q238 D242 E243	Q146-R240 PolarHBondContact NE2-O 3.21Å; V148-R240 VanDerWaalsContact CG1-CZ 3.49Å; L236-R240 WeakPolarHBondContact O-CB 3.48Å; L236-R240 WeakPolarHBondContact O-CD 3.44Å; L236-R240 WeakPolarHBondContact O-CG 3.46Å; L236-R240 PolarHBondContact O-N 2.89Å; E237-R240 PolarHBondContact O-N 3.09Å; E237-R240 IonicContact OE1-CZ 3.69Å; E237-R240 IonicContact OE1-NE 3.56Å; E237-R240 IonicContact OE1-NH1 2.68Å; E237-R240 PolarHBondContact OE1-NH1 2.92Å; E237-R240 WeakPolarHBondContact OE2-CD 3.41Å; E237-R240 IonicContact OE2-NH1 2.79Å; Q238-R240 PolarHBondContact O-N 3.09Å; R240-D242 VanDerWaalsContact C-N 3.32Å; R240-E243 WeakPolarHBondContact O-CB 3.46Å; R240-E243 PolarHBondContact O-N 2.78Å
241	N	98.8	Very high	98.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-32	173.1	-71.3	-18.9	0	0	0	111.6	R149 D216 E237 Q238 E239 E243 L244 W248 E280 V284	R149-N241 PolarHBondContact NH1-OD1 2.98Å; R149-N241 PolarHBondContact NH2-OD1 3.39Å; D216-N241 PolarHBondContact O-ND2 3.05Å; E237-N241 WeakPolarHBondContact O-CB 3.27Å; E237-N241 PolarHBondContact O-N 2.95Å; E237-N241 PolarHBondContact O-ND2 3.21Å; Q238-N241 CarbonylContact O-C 3.6Å; Q238-N241 WeakPolarHBondContact O-CB 3.36Å; Q238-N241 PolarHBondContact O-N 3.39Å; Q238-N241 VanDerWaalsContact O-N 3.12Å; E239-N241 VanDerWaalsContact C-N 3.28Å; E239-N241 PolarHBondContact O-N 2.73Å; N241-E243 VanDerWaalsContact C-N 3.32Å; N241-E243 PolarHBondContact O-N 2.77Å; N241-L244 WeakPolarHBondContact O-CB 3.39Å; N241-L244 PolarHBondContact O-N 2.78Å; N241-L244 VanDerWaalsContact O-N 3.12Å; N241-W248 HydrophobicContact CB-CZ2 4.22Å; N241-W248 WeakPolarHBondContact O-CZ2 3.47Å; N241-W248 PolarHBondContact O-NE1 2.96Å; N241-E280 WeakPolarHBondContact CB-OE1 3.39Å; N241-E280 PolarHBondContact ND2-OE1 2.92Å; N241-V284 HydrophobicContact CB-CG1 4.07Å
242	D	98.8	Very high	98.4	Very high	66 Å²	66	52 Å²	52	35%	0.353	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-36.2	174.3	-66.6	-5.9	0	0	0	112	Q238 E239 R240 L244 M245 R283 L287	Q238-D242 PolarHBondContact O-N 2.74Å; E239-D242 WeakPolarHBondContact O-CA 3.46Å; E239-D242 WeakPolarHBondContact O-CB 3.43Å; E239-D242 PolarHBondContact O-N 2.92Å; R240-D242 VanDerWaalsContact C-N 3.32Å; D242-L244 PolarHBondContact O-N 2.65Å; D242-M245 WeakPolarHBondContact O-CB 3.36Å; D242-M245 PolarHBondContact O-N 2.86Å; D242-R283 IonicContact OD1-CZ 3.09Å; D242-R283 VanDerWaalsContact OD1-CZ 3.23Å; D242-R283 IonicContact OD1-NH1 2.78Å; D242-R283 PolarHBondContact OD1-NH1 3.2Å; D242-R283 IonicContact OD1-NH2 3.58Å; D242-R283 PolarHBondContact OD1-NH2 2.87Å; D242-R283 IonicContact OD2-NH1 3.97Å; D242-L287 VanDerWaalsContact OD1-CD1 3.22Å; D242-L287 WeakPolarHBondContact OD1-CD1 3.21Å
243	E	98.4	Very high	98.5	Very high	130 Å²	130	49.6 Å²	49.6	61%	0.607	24%	0.241	S	C	*	.	H	α-helix	trans	-62.4	-22.4	174	-65.1	176.2	168.4	0	0	113.2	Q146 E239 R240 N241 M245 W246	Q146-E243 PolarHBondContact NE2-OE2 2.98Å; Q146-E243 VanDerWaalsContact NE2-OE2 3.09Å; E239-E243 PolarHBondContact O-N 3.08Å; E239-E243 VanDerWaalsContact O-N 3.11Å; R240-E243 WeakPolarHBondContact O-CB 3.46Å; R240-E243 PolarHBondContact O-N 2.78Å; N241-E243 VanDerWaalsContact C-N 3.32Å; N241-E243 PolarHBondContact O-N 2.77Å; E243-M245 PolarHBondContact O-N 3.38Å; E243-W246 VanDerWaalsContact O-CD1 3.31Å; E243-W246 PolarHBondContact O-NE1 3.2Å
244	L	98.8	Very high	98.5	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	16.4	174.6	-64.4	-179.9	0	0	0	113.4	P145 Q146 Y214 N241 D242 W246 L247 W248	P145-L244 HydrophobicContact CG-CD2 4.18Å; Q146-L244 HydrophobicContact CG-CD2 3.96Å; Q146-L244 HydrophobicContact CG-CG 4.5Å; Y214-L244 HydrophobicContact CD1-CD1 4.17Å; Y214-L244 HydrophobicContact CE1-CD1 4.18Å; N241-L244 WeakPolarHBondContact O-CB 3.39Å; N241-L244 PolarHBondContact O-N 2.78Å; N241-L244 VanDerWaalsContact O-N 3.12Å; D242-L244 PolarHBondContact O-N 2.65Å; L244-W246 HydrophobicContact CD2-CH2 4.44Å; L244-W246 HydrophobicContact CD2-CZ2 3.51Å; L244-W246 PolarHBondContact O-N 3.34Å; L244-L247 HydrophobicContact CB-CB 4.4Å; L244-L247 WeakPolarHBondContact O-CA 3.15Å; L244-L247 VanDerWaalsContact O-CB 3.3Å; L244-L247 WeakPolarHBondContact O-CB 3.46Å; L244-L247 PolarHBondContact O-N 3.27Å; L244-W248 HydrophobicContact CB-CH2 4.11Å; L244-W248 HydrophobicContact CB-CZ2 3.41Å; L244-W248 VanDerWaalsContact CB-CZ2 3.41Å; L244-W248 HydrophobicContact CD1-CH2 3.97Å; L244-W248 HydrophobicContact CD1-CZ2 3.86Å; L244-W248 HydrophobicContact CG-CZ2 4.27Å; L244-W248 PolarHBondContact O-N 2.56Å; L244-W248 PolarHBondContact O-NE1 2.62Å
245	M	98.6	Very high	98.6	Very high	55 Å²	55	46.8 Å²	46.8	27%	0.271	22%	0.222	S	C	.	.	H	α-helix	trans	-44.3	-33.9	173.6	-179.7	65.8	70.1	0	0	114.4	D242 E243 L247 K249 L287 P288	D242-M245 WeakPolarHBondContact O-CB 3.36Å; D242-M245 PolarHBondContact O-N 2.86Å; E243-M245 PolarHBondContact O-N 3.38Å; M245-L247 VanDerWaalsContact C-N 3.32Å; M245-K249 HydrophobicContact CG-CD 4.1Å; M245-K249 WeakPolarHBondContact O-CB 3.45Å; M245-K249 WeakPolarHBondContact O-CG 3.46Å; M245-K249 PolarHBondContact O-N 3.08Å; M245-K249 VanDerWaalsContact O-N 3.08Å; M245-K249 HydrophobicContact SD-CD 4.39Å; M245-K249 HydrophobicContact SD-CG 4.36Å; M245-L287 HydrophobicContact CE-CB 3.68Å; M245-L287 HydrophobicContact SD-CB 4.19Å; M245-P288 HydrophobicContact SD-CG 4.24Å
246	W	98.6	Very high	98.7	Very high	40 Å²	40	39.6 Å²	39.6	15%	0.152	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-31.4	177.7	57.9	-91.6	0	0	0	113.2	P145 K190 F193 L194 E243 L244	P145-W246 HydrophobicContact CB-CH2 4.06Å; P145-W246 HydrophobicContact CB-CZ2 4.06Å; P145-W246 HydrophobicContact CG-CH2 4.3Å; P145-W246 HydrophobicContact CG-CZ2 4.32Å; K190-W246 HydrophobicContact CB-CH2 4.17Å; K190-W246 HydrophobicContact CB-CZ2 4.03Å; K190-W246 HydrophobicContact CB-CZ3 4.49Å; K190-W246 HydrophobicContact CD-CD2 3.79Å; K190-W246 HydrophobicContact CD-CE3 4.41Å; K190-W246 HydrophobicContact CD-CG 3.86Å; K190-W246 HydrophobicContact CD-CZ2 4.47Å; K190-W246 HydrophobicContact CG-CD2 3.72Å; K190-W246 HydrophobicContact CG-CE3 3.85Å; K190-W246 HydrophobicContact CG-CG 4.28Å; K190-W246 HydrophobicContact CG-CH2 4.22Å; K190-W246 HydrophobicContact CG-CZ2 4.08Å; K190-W246 HydrophobicContact CG-CZ3 4.11Å; F193-W246 HydrophobicContact CB-CH2 3.78Å; F193-W246 HydrophobicContact CB-CZ3 3.56Å; F193-W246 HydrophobicContact CD1-CH2 4.27Å; F193-W246 HydrophobicContact CG-CH2 4.15Å; F193-W246 HydrophobicContact CG-CZ3 4.37Å; L194-W246 HydrophobicContact CD1-CE3 4.14Å; L194-W246 HydrophobicContact CD2-CE3 3.78Å; L194-W246 HydrophobicContact CD2-CZ3 4.41Å; L194-W246 WeakPolarHBondContact CD2-O 3.42Å; L194-W246 HydrophobicContact CG-CE3 3.7Å; L194-W246 HydrophobicContact CG-CZ3 4.1Å; E243-W246 VanDerWaalsContact O-CD1 3.31Å; E243-W246 PolarHBondContact O-NE1 3.2Å; L244-W246 HydrophobicContact CD2-CH2 4.44Å; L244-W246 HydrophobicContact CD2-CZ2 3.51Å; L244-W246 PolarHBondContact O-N 3.34Å
247	L	98.9	Very high	98.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-73.7	-49.5	175.9	-179.7	56.2	0	0	0	109.8	F193 L197 Y211 Y214 L244 M245 K249 E250 S251	F193-L247 HydrophobicContact CD1-CD1 4.06Å; F193-L247 HydrophobicContact CD1-CD2 4.35Å; L197-L247 HydrophobicContact CD1-CD1 3.82Å; Y211-L247 HydrophobicContact CD2-CD1 3.8Å; Y211-L247 HydrophobicContact CE2-CD1 4.13Å; Y214-L247 HydrophobicContact CD1-CD2 3.81Å; Y214-L247 HydrophobicContact CE1-CD2 4.4Å; Y214-L247 HydrophobicContact CG-CD2 4.03Å; L244-L247 HydrophobicContact CB-CB 4.4Å; L244-L247 WeakPolarHBondContact O-CA 3.15Å; L244-L247 VanDerWaalsContact O-CB 3.3Å; L244-L247 WeakPolarHBondContact O-CB 3.46Å; L244-L247 PolarHBondContact O-N 3.27Å; M245-L247 VanDerWaalsContact C-N 3.32Å; L247-K249 VanDerWaalsContact C-N 3.28Å; L247-K249 PolarHBondContact O-N 3.36Å; L247-E250 PolarHBondContact O-N 3.37Å; L247-S251 PolarHBondContact O-N 3.36Å; L247-S251 PolarHBondContact O-OG 3.12Å; L247-S251 VanDerWaalsContact O-OG 3.13Å
248	W	98.7	Very high	98.7	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-58.4	-41	-179.6	-41.5	144.5	0	0	0	112	Y214 P215 N241 L244 E250 L254 V284 P288 I294	Y214-W248 HydrophobicContact CD1-CH2 4.21Å; P215-W248 HydrophobicContact CB-CH2 3.95Å; P215-W248 HydrophobicContact CB-CZ2 4.39Å; N241-W248 HydrophobicContact CB-CZ2 4.22Å; N241-W248 WeakPolarHBondContact O-CZ2 3.47Å; N241-W248 PolarHBondContact O-NE1 2.96Å; L244-W248 HydrophobicContact CB-CH2 4.11Å; L244-W248 HydrophobicContact CB-CZ2 3.41Å; L244-W248 VanDerWaalsContact CB-CZ2 3.41Å; L244-W248 HydrophobicContact CD1-CH2 3.97Å; L244-W248 HydrophobicContact CD1-CZ2 3.86Å; L244-W248 HydrophobicContact CG-CZ2 4.27Å; L244-W248 PolarHBondContact O-N 2.56Å; L244-W248 PolarHBondContact O-NE1 2.62Å; W248-E250 PolarHBondContact O-N 3.38Å; W248-L254 HydrophobicContact CE3-CD2 4.01Å; W248-L254 HydrophobicContact CZ3-CD2 4.36Å; W248-V284 HydrophobicContact CD2-CB 4.35Å; W248-V284 HydrophobicContact CD2-CG2 4.39Å; W248-V284 HydrophobicContact CG-CB 4.49Å; W248-P288 HydrophobicContact CB-CG 3.58Å; W248-I294 WeakPolarHBondContact O-CD1 3.47Å
249	K	98.4	Very high	98.7	Very high	133 Å²	133	32.6 Å²	32.6	58%	0.578	15%	0.154	S	C	*	.	H	α-helix	trans	-62.6	-30.2	176.8	-81.3	175.9	177.2	-179	0	113.9	M245 L247 P288	M245-K249 HydrophobicContact CG-CD 4.1Å; M245-K249 WeakPolarHBondContact O-CB 3.45Å; M245-K249 WeakPolarHBondContact O-CG 3.46Å; M245-K249 PolarHBondContact O-N 3.08Å; M245-K249 VanDerWaalsContact O-N 3.08Å; M245-K249 HydrophobicContact SD-CD 4.39Å; M245-K249 HydrophobicContact SD-CG 4.36Å; L247-K249 VanDerWaalsContact C-N 3.28Å; L247-K249 PolarHBondContact O-N 3.36Å; K249-P288 HydrophobicContact CG-CB 3.76Å; K249-P288 HydrophobicContact CG-CG 4Å
250	E	98.7	Very high	98.6	Very high	37 Å²	37	27.9 Å²	27.9	17%	0.173	13%	0.132	C	C	.	.	H	α-helix	trans	-93	-31.4	-175.3	-165.4	56.5	-126.1	0	0	112.2	L194 L197 L198 K201 L247 W248	L194-E250 HydrophobicContact CD2-CB 3.72Å; L194-E250 HydrophobicContact CD2-CG 3.94Å; L197-E250 HydrophobicContact CB-CG 3.73Å; L197-E250 HydrophobicContact CD1-CB 3.97Å; L197-E250 HydrophobicContact CD1-CG 3.91Å; L197-E250 HydrophobicContact CG-CG 4.49Å; L198-E250 WeakPolarHBondContact CD2-OE1 3.33Å; L198-E250 HydrophobicContact CG-CG 4.39Å; K201-E250 WeakPolarHBondContact CD-O 3.34Å; K201-E250 WeakPolarHBondContact CD-OE1 3.2Å; K201-E250 WeakPolarHBondContact CE-OE1 3.25Å; K201-E250 PolarHBondContact NZ-O 3.18Å; K201-E250 IonicContact NZ-OE1 3.66Å; K201-E250 PolarHBondContact NZ-OE1 3Å; L247-E250 PolarHBondContact O-N 3.37Å; W248-E250 PolarHBondContact O-N 3.38Å
251	S	98.8	Very high	98.6	Very high	11 Å²	11	27.2 Å²	27.2	8%	0.077	13%	0.13	C	C	.	.			trans	-62.3	144.9	175.4	-62.9	0	0	0	0	112.5	L247	L247-S251 PolarHBondContact O-N 3.36Å; L247-S251 PolarHBondContact O-OG 3.12Å; L247-S251 VanDerWaalsContact O-OG 3.13Å
252	T	98.6	Very high	98.4	Very high	36 Å²	36	29.8 Å²	29.8	22%	0.221	14%	0.144	C	C	.	.	S	Bend	trans	-109.7	-6.2	170.6	61.9	0	0	0	0	112.2	K201 L208 W209	K201-T252 HydrophobicContact CD-CG2 4.04Å; K201-T252 HydrophobicContact CG-CG2 4.4Å; L208-T252 VanDerWaalsContact CA-OG1 3.26Å; L208-T252 WeakPolarHBondContact CA-OG1 3.42Å; W209-T252 PolarHBondContact N-OG1 3.21Å; W209-T252 PolarHBondContact O-N 3.04Å; W209-T252 PolarHBondContact O-OG1 3.43Å
253	A	98.8	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-150.9	157.5	166.5	0	0	0	0	0	110.4	L208 W209 Y255 P295 Y297	L208-A253 HydrophobicContact CB-CB 3.79Å; L208-A253 HydrophobicContact CD1-CB 4.42Å; W209-A253 PolarHBondContact O-N 2.84Å; A253-Y255 HydrophobicContact CB-CE1 4.26Å; A253-Y255 HydrophobicContact CB-CE2 3.88Å; A253-Y255 WeakPolarHBondContact CB-OH 3.02Å; A253-P295 CarbonylContact C-O 3.59Å; A253-P295 VanDerWaalsContact CA-O 3.29Å; A253-P295 WeakPolarHBondContact CA-O 3.48Å; A253-Y297 HydrophobicContact CB-CD2 3.99Å; A253-Y297 HydrophobicContact CB-CE2 4.17Å
254	L	98.9	Very high	98.2	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-111.5	140.2	173.6	-56.3	-179.8	0	0	0	110.5	W248 P256 A281 V284 I294 P295 V296 Y297	W248-L254 HydrophobicContact CE3-CD2 4.01Å; W248-L254 HydrophobicContact CZ3-CD2 4.36Å; L254-P256 VanDerWaalsContact C-CD 3.45Å; L254-P256 WeakPolarHBondContact O-CD 3.34Å; L254-A281 WeakPolarHBondContact CD1-O 3.43Å; L254-V284 HydrophobicContact CD1-CG2 3.68Å; L254-I294 HydrophobicContact CG-CB 4.43Å; L254-I294 HydrophobicContact CG-CG2 4.04Å; L254-P295 PolarHBondContact N-O 2.94Å; L254-V296 HydrophobicContact CB-CG2 4.3Å; L254-V296 HydrophobicContact CD1-CG2 4.32Å; L254-Y297 PolarHBondContact O-N 2.67Å
255	Y	98.9	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-127.1	61.9	-173.5	-58.8	-72.6	0	0	0	112	L135 I137 L208 L213 Y214 A253 Y297 Y299 I333	L135-Y255 HydrophobicContact CD1-CE1 4.21Å; I137-Y255 HydrophobicContact CD1-CE1 4.38Å; I137-Y255 HydrophobicContact CG1-CD1 3.99Å; I137-Y255 HydrophobicContact CG1-CD2 4.08Å; I137-Y255 HydrophobicContact CG1-CE1 3.81Å; I137-Y255 HydrophobicContact CG1-CE2 3.9Å; I137-Y255 HydrophobicContact CG1-CG 4.12Å; I137-Y255 HydrophobicContact CG2-CD2 4.36Å; I137-Y255 HydrophobicContact CG2-CG 4.44Å; L208-Y255 PolarHBondContact O-OH 2.78Å; L213-Y255 PolarHBondContact N-O 3.07Å; Y214-Y255 PolarHBondContact O-N 2.87Å; A253-Y255 HydrophobicContact CB-CE1 4.26Å; A253-Y255 HydrophobicContact CB-CE2 3.88Å; A253-Y255 WeakPolarHBondContact CB-OH 3.02Å; Y255-Y297 WeakPolarHBondContact CA-O 3.36Å; Y255-Y297 HydrophobicContact CE1-CD2 4.06Å; Y255-Y297 HydrophobicContact CE1-CG 4.31Å; Y255-Y299 HydrophobicContact CD1-CD2 4.44Å; Y255-Y299 AromaticContact CD1-CE2 3.99Å; Y255-Y299 HydrophobicContact CD1-CE2 3.99Å; Y255-Y299 HydrophobicContact CG-CE2 4.28Å; Y255-I333 HydrophobicContact CD1-CD1 3.85Å; Y255-I333 HydrophobicContact CE1-CD1 3.98Å
256	P	98.8	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.			trans	-65.1	139.4	178	31.1	-36.8	0	0	0	110.2	L254 A281 V296 A298 Y299	L254-P256 VanDerWaalsContact C-CD 3.45Å; L254-P256 WeakPolarHBondContact O-CD 3.34Å; P256-A281 HydrophobicContact CB-CB 4.24Å; P256-A281 HydrophobicContact CG-CB 3.78Å; P256-V296 HydrophobicContact CG-CG1 3.83Å; P256-A298 HydrophobicContact CG-CB 4.25Å; P256-A298 WeakPolarHBondContact O-CA 3.19Å; P256-Y299 PolarHBondContact O-N 2.86Å
257	S	98.7	Very high	98	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-82.2	132.2	168.3	-179.3	0	0	0	0	109.6	Y212 Y259 R277	Y212-S257 PolarHBondContact OH-OG 3.01Å; S257-Y259 WeakPolarHBondContact OG-CD1 3.37Å; S257-Y259 WeakPolarHBondContact OG-CD2 2.87Å; S257-Y259 VanDerWaalsContact OG-CG 3.29Å; S257-R277 PolarHBondContact O-NE 2.72Å; S257-R277 PolarHBondContact O-NH2 3.01Å
258	I	98.6	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.			trans	-124	33.3	174.4	57.1	163.1	0	0	0	110.9	L260 V274 R277 I278 A298 Y299 I300	I258-L260 PolarHBondContact O-N 2.87Å; I258-V274 HydrophobicContact CB-CG1 4.18Å; I258-V274 HydrophobicContact CB-CG2 4.27Å; I258-V274 HydrophobicContact CD1-CG1 3.75Å; I258-V274 HydrophobicContact CG2-CG1 4.23Å; I258-R277 HydrophobicContact CG2-CB 3.8Å; I258-I278 HydrophobicContact CD1-CD1 4.41Å; I258-I278 HydrophobicContact CG2-CD1 4.02Å; I258-I278 HydrophobicContact CG2-CG1 4.42Å; I258-A298 HydrophobicContact CD1-CB 3.87Å; I258-A298 HydrophobicContact CG1-CB 4.05Å; I258-Y299 WeakPolarHBondContact CG1-O 3.41Å; I258-Y299 PolarHBondContact N-O 2.92Å; I258-I300 HydrophobicContact CD1-CG2 3.55Å; I258-I300 HydrophobicContact CG1-CG2 3.69Å
259	Y	98.2	Very high	97.8	Very high	19 Å²	19	36.7 Å²	36.7	8%	0.075	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-63	131.4	179.5	-60.9	-9.1	0	0	0	110.9	Y212 S257 F273 Y299 R301 W335	Y212-Y259 WeakPolarHBondContact OH-CE2 3.19Å; S257-Y259 WeakPolarHBondContact OG-CD1 3.37Å; S257-Y259 WeakPolarHBondContact OG-CD2 2.87Å; S257-Y259 VanDerWaalsContact OG-CG 3.29Å; Y259-F273 VanDerWaalsContact O-CE1 3.27Å; Y259-F273 WeakPolarHBondContact O-CE1 3.27Å; Y259-Y299 WeakPolarHBondContact CD1-O 3.45Å; Y259-Y299 VanDerWaalsContact CE1-C 3.46Å; Y259-Y299 WeakPolarHBondContact CE1-O 3.36Å; Y259-Y299 WeakPolarHBondContact OH-CD1 3.43Å; Y259-R301 HydrophobicContact CD1-CB 4.38Å; Y259-R301 HydrophobicContact CD1-CG 3.8Å; Y259-R301 HydrophobicContact CD2-CG 3.91Å; Y259-R301 HydrophobicContact CE1-CB 4.5Å; Y259-R301 HydrophobicContact CE1-CG 3.64Å; Y259-R301 HydrophobicContact CE2-CG 3.78Å; Y259-R301 HydrophobicContact CG-CG 3.93Å; Y259-W335 HydrophobicContact CE2-CE3 4.41Å; Y259-W335 WeakPolarHBondContact OH-CB 3.19Å
260	L	97.8	Very high	97.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-87.9	138.5	174.9	-63.9	-177.3	0	0	0	110.4	I258 L264 A270 F273 V274 F304 K305 M312 D316 T320	I258-L260 PolarHBondContact O-N 2.87Å; L260-L264 HydrophobicContact CD2-CB 4.43Å; L260-L264 HydrophobicContact CD2-CD1 3.95Å; L260-A270 HydrophobicContact CD1-CB 3.95Å; L260-A270 HydrophobicContact CD2-CB 3.93Å; L260-F273 HydrophobicContact CD2-CD1 3.66Å; L260-F273 HydrophobicContact CD2-CE1 4.11Å; L260-V274 HydrophobicContact CD2-CG2 3.91Å; L260-F304 HydrophobicContact CB-CD1 3.82Å; L260-F304 HydrophobicContact CB-CE1 3.95Å; L260-F304 HydrophobicContact CD1-CE1 4.45Å; L260-F304 CarbonylContact O-C 3.56Å; L260-F304 WeakPolarHBondContact O-CA 3.13Å; L260-F304 WeakPolarHBondContact O-CD1 3.34Å; L260-K305 PolarHBondContact O-N 3.35Å; L260-M312 HydrophobicContact CD1-SD 4.1Å; L260-D316 HydrophobicContact CD1-CB 4.18Å; L260-T320 HydrophobicContact CD1-CG2 3.67Å; L260-T320 HydrophobicContact CD2-CG2 4.45Å; L260-T320 HydrophobicContact CG-CG2 3.79Å
261	E	96.9	Very high	97.8	Very high	27 Å²	27	29.7 Å²	29.7	13%	0.126	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-87.6	155.1	165.1	-72.5	171.1	-177.5	0	0	110	Y222 I263 L264 F304 K305 D306	Y222-E261 VanDerWaalsContact CE2-OE2 3.28Å; Y222-E261 WeakPolarHBondContact CE2-OE2 3.33Å; Y222-E261 PolarHBondContact OH-OE2 3.07Å; E261-I263 HydrophobicContact CB-CG2 4.19Å; E261-I263 PolarHBondContact O-N 2.94Å; E261-I263 VanDerWaalsContact O-N 3.12Å; E261-L264 WeakPolarHBondContact O-CB 3.47Å; E261-L264 PolarHBondContact O-N 2.75Å; E261-F304 WeakPolarHBondContact O-CD1 3.42Å; E261-K305 HydrophobicContact CG-CB 4Å; E261-K305 HydrophobicContact CG-CD 3.92Å; E261-K305 HydrophobicContact CG-CG 4.44Å; E261-K305 IonicContact OE1-NZ 3.03Å; E261-K305 PolarHBondContact OE1-NZ 3.17Å; E261-D306 WeakPolarHBondContact CA-OD1 3.49Å
262	L	96.2	Very high	97.7	Very high	54 Å²	54	30 Å²	30	28%	0.283	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.5	-176.1	-88.2	173.3	0	0	0	113.1	L264 R265 F304 D306 D310	L262-L264 PolarHBondContact O-N 3.38Å; L262-R265 WeakPolarHBondContact O-CB 3.36Å; L262-R265 PolarHBondContact O-N 2.89Å; L262-F304 HydrophobicContact CD2-CB 4.08Å; L262-F304 HydrophobicContact CD2-CD1 4.46Å; L262-F304 HydrophobicContact CD2-CD2 3.44Å; L262-F304 VanDerWaalsContact CD2-CD2 3.44Å; L262-F304 HydrophobicContact CD2-CE2 4Å; L262-F304 HydrophobicContact CD2-CG 3.72Å; L262-F304 HydrophobicContact CG-CB 3.84Å; L262-F304 HydrophobicContact CG-CD2 4.18Å; L262-F304 HydrophobicContact CG-CG 3.98Å; L262-D306 PolarHBondContact N-OD1 3.19Å; L262-D306 PolarHBondContact N-OD2 3.2Å; L262-D310 HydrophobicContact CD2-CB 3.85Å
263	I	96	Very high	97.7	Very high	90 Å²	90	28.5 Å²	28.5	46%	0.462	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-60.6	-24.9	176.7	-166	168.8	0	0	0	112.9	Y222 E261	Y222-I263 HydrophobicContact CD2-CG2 3.79Å; Y222-I263 HydrophobicContact CE2-CG2 3.73Å; E261-I263 HydrophobicContact CB-CG2 4.19Å; E261-I263 PolarHBondContact O-N 2.94Å; E261-I263 VanDerWaalsContact O-N 3.12Å
264	L	97.2	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-89.4	-6.6	178.3	-60.8	178.4	0	0	0	113	Y222 M226 L260 E261 L262 D266 S267 Q269 A270 F273	Y222-L264 HydrophobicContact CD1-CD1 4.36Å; Y222-L264 HydrophobicContact CD1-CD2 4.2Å; Y222-L264 HydrophobicContact CD2-CD2 4.13Å; Y222-L264 HydrophobicContact CD2-CG 4.48Å; Y222-L264 HydrophobicContact CE1-CD1 4.05Å; Y222-L264 HydrophobicContact CE2-CG 4.47Å; Y222-L264 HydrophobicContact CG-CD2 3.94Å; M226-L264 HydrophobicContact CE-CD2 3.71Å; M226-L264 HydrophobicContact SD-CD2 4.09Å; L260-L264 HydrophobicContact CD2-CB 4.43Å; L260-L264 HydrophobicContact CD2-CD1 3.95Å; E261-L264 WeakPolarHBondContact O-CB 3.47Å; E261-L264 PolarHBondContact O-N 2.75Å; L262-L264 PolarHBondContact O-N 3.38Å; L264-D266 PolarHBondContact O-N 3.5Å; L264-S267 VanDerWaalsContact O-CB 3.28Å; L264-S267 WeakPolarHBondContact O-CB 3.28Å; L264-S267 PolarHBondContact O-N 3.08Å; L264-S267 PolarHBondContact O-OG 3.4Å; L264-Q269 HydrophobicContact CD2-CB 4.21Å; L264-A270 HydrophobicContact CB-CB 4.03Å; L264-A270 WeakPolarHBondContact O-CB 3.08Å; L264-F273 HydrophobicContact CD1-CB 4.1Å; L264-F273 HydrophobicContact CD1-CD1 4.06Å; L264-F273 HydrophobicContact CD1-CD2 4.34Å; L264-F273 HydrophobicContact CD1-CG 3.91Å
265	R	97.1	Very high	97.7	Very high	95 Å²	95	28.5 Å²	28.5	36%	0.358	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	132	-175.7	178.8	175.2	-144.5	162.6	12	112.6	L262 S267 F304 D310	L262-R265 WeakPolarHBondContact O-CB 3.36Å; L262-R265 PolarHBondContact O-N 2.89Å; R265-S267 PolarHBondContact O-N 3.08Å; R265-F304 HydrophobicContact CB-CE1 3.86Å; R265-F304 HydrophobicContact CB-CE2 4.31Å; R265-F304 HydrophobicContact CB-CZ 3.59Å; R265-F304 HydrophobicContact CG-CE1 4.34Å; R265-F304 HydrophobicContact CG-CE2 4.06Å; R265-F304 HydrophobicContact CG-CZ 3.57Å; R265-D310 IonicContact CZ-OD1 3.75Å; R265-D310 IonicContact NH1-OD1 2.73Å; R265-D310 PolarHBondContact NH1-OD1 3.36Å; R265-D310 IonicContact NH2-OD1 2.72Å; R265-D310 PolarHBondContact NH2-OD1 3.49Å
266	D	97.3	Very high	97.7	Very high	80 Å²	80	29.6 Å²	29.6	43%	0.428	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	28.5	173.8	-64.5	-48.4	0	0	0	114.1	L264 S313 Y315 D316	L264-D266 PolarHBondContact O-N 3.5Å; D266-S313 VanDerWaalsContact OD1-CB 3.26Å; D266-S313 WeakPolarHBondContact OD1-CB 3.36Å; D266-S313 PolarHBondContact OD1-OG 3.45Å; D266-Y315 VanDerWaalsContact C-CE1 3.49Å; D266-Y315 HydrophobicContact CB-CD1 4.41Å; D266-D316 PolarHBondContact N-OD1 3.48Å
267	S	97	Very high	97.7	Very high	17 Å²	17	29.8 Å²	29.8	12%	0.119	14%	0.138	C	C	.	.			trans	-110.9	157.9	-173.2	76.7	0	0	0	0	113.7	L264 R265 Q269 A270 N319	L264-S267 VanDerWaalsContact O-CB 3.28Å; L264-S267 WeakPolarHBondContact O-CB 3.28Å; L264-S267 PolarHBondContact O-N 3.08Å; L264-S267 PolarHBondContact O-OG 3.4Å; R265-S267 PolarHBondContact O-N 3.08Å; S267-Q269 VanDerWaalsContact C-N 3.26Å; S267-Q269 PolarHBondContact OG-N 3.45Å; S267-A270 PolarHBondContact OG-N 3.42Å; S267-N319 PolarHBondContact O-ND2 2.87Å; S267-N319 VanDerWaalsContact O-ND2 3.11Å
268	Y	96.1	Very high	97.7	Very high	112 Å²	112	29.4 Å²	29.4	44%	0.439	14%	0.136	S	C	.	.	H	α-helix	trans	-67.2	-31.5	168.7	176.9	-109.5	0	0	0	111.4	A270 R271 L272	Y268-A270 VanDerWaalsContact C-N 3.35Å; Y268-A270 PolarHBondContact O-N 3.11Å; Y268-R271 WeakPolarHBondContact O-CB 3.32Å; Y268-R271 PolarHBondContact O-N 3.39Å; Y268-R271 VanDerWaalsContact O-N 3.1Å; Y268-L272 HydrophobicContact CD1-CD1 3.98Å; Y268-L272 HydrophobicContact CD1-CG 4.22Å; Y268-L272 HydrophobicContact CE1-CD1 3.61Å; Y268-L272 HydrophobicContact CE1-CD2 4Å; Y268-L272 HydrophobicContact CE1-CG 3.84Å; Y268-L272 PolarHBondContact O-N 2.83Å
269	Q	97.4	Very high	97.7	Very high	45 Å²	45	32 Å²	32	21%	0.21	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-34.7	178.2	-71.3	83.7	-12.1	0	0	112.6	M226 Y229 L264 S267 R271 L272 F273	M226-Q269 HydrophobicContact CE-CB 3.36Å; M226-Q269 HydrophobicContact CE-CG 3.61Å; M226-Q269 HydrophobicContact CG-CG 4.39Å; M226-Q269 PolarHBondContact O-NE2 2.88Å; M226-Q269 HydrophobicContact SD-CB 3.85Å; M226-Q269 HydrophobicContact SD-CG 3.73Å; Y229-Q269 HydrophobicContact CD1-CB 3.74Å; Y229-Q269 HydrophobicContact CD1-CG 3.79Å; Y229-Q269 HydrophobicContact CE1-CB 4.22Å; L264-Q269 HydrophobicContact CD2-CB 4.21Å; S267-Q269 VanDerWaalsContact C-N 3.26Å; S267-Q269 PolarHBondContact OG-N 3.45Å; Q269-R271 PolarHBondContact O-N 3.12Å; Q269-L272 PolarHBondContact O-N 2.62Å; Q269-L272 VanDerWaalsContact O-N 3.13Å; Q269-F273 WeakPolarHBondContact O-CB 3.4Å; Q269-F273 PolarHBondContact O-N 3.35Å
270	A	97.9	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-54.4	-42.4	170.6	0	0	0	0	0	111.7	L260 L264 S267 Y268 F273 V274 N319	L260-A270 HydrophobicContact CD1-CB 3.95Å; L260-A270 HydrophobicContact CD2-CB 3.93Å; L264-A270 HydrophobicContact CB-CB 4.03Å; L264-A270 WeakPolarHBondContact O-CB 3.08Å; S267-A270 PolarHBondContact OG-N 3.42Å; Y268-A270 VanDerWaalsContact C-N 3.35Å; Y268-A270 PolarHBondContact O-N 3.11Å; A270-F273 PolarHBondContact O-N 3.04Å; A270-V274 WeakPolarHBondContact O-CG2 3.13Å; A270-V274 PolarHBondContact O-N 2.91Å; A270-N319 HydrophobicContact CB-CB 4.16Å
271	R	97.9	Very high	97.8	Very high	23 Å²	23	31.1 Å²	31.1	9%	0.087	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-48.6	176	-168	-174.6	-59.1	163	4.6	111.2	Y268 Q269 F273 V274 R275 Y315 N319 E323 D391 Y393	Y268-R271 WeakPolarHBondContact O-CB 3.32Å; Y268-R271 PolarHBondContact O-N 3.39Å; Y268-R271 VanDerWaalsContact O-N 3.1Å; Q269-R271 PolarHBondContact O-N 3.12Å; R271-F273 VanDerWaalsContact C-N 3.3Å; R271-F273 PolarHBondContact O-N 2.84Å; R271-V274 PolarHBondContact O-N 3.07Å; R271-R275 VanDerWaalsContact CD-NH2 3.33Å; R271-R275 WeakPolarHBondContact O-CB 3.29Å; R271-R275 PolarHBondContact O-N 2.86Å; R271-Y315 PolarHBondContact NH2-OH 2.94Å; R271-N319 HydrophobicContact CB-CB 4.24Å; R271-N319 WeakPolarHBondContact CB-OD1 3.23Å; R271-N319 PolarHBondContact NE-OD1 2.78Å; R271-E323 HydrophobicContact CG-CG 3.79Å; R271-D391 VanDerWaalsContact CD-OD1 3.3Å; R271-D391 WeakPolarHBondContact CD-OD1 3.43Å; R271-D391 IonicContact CZ-OD1 3.55Å; R271-D391 IonicContact CZ-OD2 2.86Å; R271-D391 IonicContact NE-OD1 3.34Å; R271-D391 IonicContact NH1-OD1 3.68Å; R271-D391 PolarHBondContact NH1-OD1 3.47Å; R271-D391 IonicContact NH1-OD2 3.67Å; R271-D391 PolarHBondContact NH1-OD2 3.19Å; R271-Y393 WeakPolarHBondContact CD-OH 3.31Å; R271-Y393 PolarHBondContact NE-OH 2.04Å
272	L	98.2	Very high	97.9	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-41	179	-64.1	-178.3	0	0	0	111.7	Y229 Y268 Q269 H276	Y229-L272 HydrophobicContact CE1-CB 4.49Å; Y229-L272 WeakPolarHBondContact O-CD1 3.45Å; Y268-L272 HydrophobicContact CD1-CD1 3.98Å; Y268-L272 HydrophobicContact CD1-CG 4.22Å; Y268-L272 HydrophobicContact CE1-CD1 3.61Å; Y268-L272 HydrophobicContact CE1-CD2 4Å; Y268-L272 HydrophobicContact CE1-CG 3.84Å; Y268-L272 PolarHBondContact O-N 2.83Å; Q269-L272 PolarHBondContact O-N 2.62Å; Q269-L272 VanDerWaalsContact O-N 3.13Å; L272-H276 PolarHBondContact O-N 3.31Å; L272-H276 PolarHBondContact O-ND1 2.93Å
273	F	98.7	Very high	98	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-52.8	176	170.7	-98.8	0	0	0	111.3	N219 Y220 Y222 Y229 Y259 L260 L264 Q269 A270 R271 R277	N219-F273 PolarHBondContact ND2-O 3.13Å; N219-F273 WeakPolarHBondContact OD1-CE2 3.39Å; Y220-F273 AromaticContact CD1-CE2 3.93Å; Y220-F273 HydrophobicContact CD1-CE2 3.93Å; Y220-F273 AromaticContact CE1-CE2 3.82Å; Y220-F273 HydrophobicContact CE1-CE2 3.82Å; Y220-F273 HydrophobicContact CE1-CZ 4.1Å; Y222-F273 HydrophobicContact CD1-CD2 4.31Å; Y222-F273 AromaticContact CE1-CD2 3.82Å; Y222-F273 HydrophobicContact CE1-CD2 3.82Å; Y222-F273 AromaticContact CE1-CE2 3.9Å; Y222-F273 HydrophobicContact CE1-CE2 3.9Å; Y229-F273 HydrophobicContact CE1-CB 4.19Å; Y229-F273 WeakPolarHBondContact OH-CB 3.06Å; Y229-F273 WeakPolarHBondContact OH-CD2 3.43Å; Y259-F273 VanDerWaalsContact O-CE1 3.27Å; Y259-F273 WeakPolarHBondContact O-CE1 3.27Å; L260-F273 HydrophobicContact CD2-CD1 3.66Å; L260-F273 HydrophobicContact CD2-CE1 4.11Å; L264-F273 HydrophobicContact CD1-CB 4.1Å; L264-F273 HydrophobicContact CD1-CD1 4.06Å; L264-F273 HydrophobicContact CD1-CD2 4.34Å; L264-F273 HydrophobicContact CD1-CG 3.91Å; Q269-F273 WeakPolarHBondContact O-CB 3.4Å; Q269-F273 PolarHBondContact O-N 3.35Å; A270-F273 PolarHBondContact O-N 3.04Å; R271-F273 VanDerWaalsContact C-N 3.3Å; R271-F273 PolarHBondContact O-N 2.84Å; F273-R277 WeakPolarHBondContact O-CD 3.48Å; F273-R277 WeakPolarHBondContact O-CG 3.46Å; F273-R277 PolarHBondContact O-N 3.26Å
274	V	98.8	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.4	-45	-179.5	176	0	0	0	0	111.5	I258 L260 A270 R271 H276 R277 I278 N319 T320 E323	I258-V274 HydrophobicContact CB-CG1 4.18Å; I258-V274 HydrophobicContact CB-CG2 4.27Å; I258-V274 HydrophobicContact CD1-CG1 3.75Å; I258-V274 HydrophobicContact CG2-CG1 4.23Å; L260-V274 HydrophobicContact CD2-CG2 3.91Å; A270-V274 WeakPolarHBondContact O-CG2 3.13Å; A270-V274 PolarHBondContact O-N 2.91Å; R271-V274 PolarHBondContact O-N 3.07Å; V274-H276 VanDerWaalsContact C-N 3.31Å; V274-H276 PolarHBondContact O-N 2.77Å; V274-R277 PolarHBondContact O-N 3Å; V274-R277 VanDerWaalsContact O-N 3.1Å; V274-I278 HydrophobicContact CG1-CG1 4.09Å; V274-I278 PolarHBondContact O-N 3.47Å; V274-N319 WeakPolarHBondContact CB-O 3.42Å; V274-N319 WeakPolarHBondContact CG1-O 3.42Å; V274-N319 WeakPolarHBondContact CG2-O 3.37Å; V274-T320 HydrophobicContact CG2-CG2 3.95Å; V274-E323 HydrophobicContact CG1-CB 3.93Å
275	R	98.8	Very high	98.2	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-51.1	-51	-177.4	177.3	170.8	-64.7	174.5	-1.1	111.5	R271 I278 Q279 E323 L327 W388 D389 R390 D391	R271-R275 VanDerWaalsContact CD-NH2 3.33Å; R271-R275 WeakPolarHBondContact O-CB 3.29Å; R271-R275 PolarHBondContact O-N 2.86Å; R275-I278 PolarHBondContact O-N 2.75Å; R275-Q279 WeakPolarHBondContact O-CB 3.23Å; R275-Q279 VanDerWaalsContact O-CG 3.31Å; R275-Q279 WeakPolarHBondContact O-CG 3.49Å; R275-Q279 PolarHBondContact O-N 3Å; R275-E323 WeakPolarHBondContact CB-OE2 3.26Å; R275-E323 WeakPolarHBondContact CG-OE2 3.3Å; R275-E323 IonicContact CZ-OE1 3.75Å; R275-E323 IonicContact CZ-OE2 2.87Å; R275-E323 IonicContact NE-OE1 3.52Å; R275-E323 IonicContact NE-OE2 3.73Å; R275-E323 PolarHBondContact NE-OE2 3.37Å; R275-E323 IonicContact NH2-OE1 3.86Å; R275-E323 PolarHBondContact NH2-OE1 3.38Å; R275-E323 IonicContact NH2-OE2 3.15Å; R275-E323 PolarHBondContact NH2-OE2 2.98Å; R275-L327 HydrophobicContact CB-CD1 4.32Å; R275-L327 HydrophobicContact CG-CD1 3.96Å; R275-W388 WeakPolarHBondContact CD-O 3.06Å; R275-W388 HydrophobicContact CG-CE3 4.17Å; R275-W388 HydrophobicContact CG-CZ3 4.38Å; R275-W388 PolarHBondContact NE-O 3.18Å; R275-D389 PolarHBondContact NH1-O 3.29Å; R275-R390 PolarHBondContact NH2-O 3.49Å; R275-D391 IonicContact CZ-OD1 2.77Å; R275-D391 IonicContact NH1-OD1 3.97Å; R275-D391 IonicContact NH2-OD1 2.95Å; R275-D391 PolarHBondContact NH2-OD1 2.94Å
276	H	98.8	Very high	98.3	Very high	23 Å²	23	24.9 Å²	24.9	11%	0.106	11%	0.114	C	C	.	.	H	α-helix	trans	-71.9	-30.7	-177.7	-69.8	94	0	0	0	113.2	S230 G231 L272 V274 Q279 E280 W388	S230-H276 PolarHBondContact O-CE1 2.81Å; G231-H276 VanDerWaalsContact C-ND1 3.31Å; G231-H276 WeakPolarHBondContact O-CB 3.44Å; G231-H276 PolarHBondContact O-ND1 3.12Å; L272-H276 PolarHBondContact O-N 3.31Å; L272-H276 PolarHBondContact O-ND1 2.93Å; V274-H276 VanDerWaalsContact C-N 3.31Å; V274-H276 PolarHBondContact O-N 2.77Å; H276-Q279 PolarHBondContact O-N 2.87Å; H276-E280 WeakPolarHBondContact O-CB 3.47Å; H276-E280 PolarHBondContact O-N 3.24Å; H276-W388 AromaticContact NE2-CH2 3.86Å; H276-W388 AromaticContact NE2-CZ3 3.7Å
277	R	98.9	Very high	98.3	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-66	-41.7	174	-67.7	173.9	81.8	75.8	6.2	111.9	D216 C217 N219 Y220 S257 I258 F273 V274 A281	D216-R277 IonicContact OD1-CZ 3.05Å; D216-R277 VanDerWaalsContact OD1-CZ 3.28Å; D216-R277 IonicContact OD1-NH1 2.69Å; D216-R277 PolarHBondContact OD1-NH1 3.13Å; D216-R277 IonicContact OD1-NH2 2.69Å; D216-R277 PolarHBondContact OD1-NH2 3.37Å; D216-R277 IonicContact OD2-NH2 2.64Å; C217-R277 HydrophobicContact CB-CB 4.41Å; C217-R277 HydrophobicContact CB-CG 3.63Å; N219-R277 PolarHBondContact OD1-NH1 2.96Å; Y220-R277 PolarHBondContact OH-NH1 3.44Å; Y220-R277 PolarHBondContact OH-NH2 3.49Å; S257-R277 PolarHBondContact O-NE 2.72Å; S257-R277 PolarHBondContact O-NH2 3.01Å; I258-R277 HydrophobicContact CG2-CB 3.8Å; F273-R277 WeakPolarHBondContact O-CD 3.48Å; F273-R277 WeakPolarHBondContact O-CG 3.46Å; F273-R277 PolarHBondContact O-N 3.26Å; V274-R277 PolarHBondContact O-N 3Å; V274-R277 VanDerWaalsContact O-N 3.1Å; R277-A281 PolarHBondContact O-N 3.12Å
278	I	98.8	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.8	-41.4	173.6	-58.9	-63	0	0	0	110.8	I258 V274 R275 E280 A281 M282 A298 A324 L327	I258-I278 HydrophobicContact CD1-CD1 4.41Å; I258-I278 HydrophobicContact CG2-CD1 4.02Å; I258-I278 HydrophobicContact CG2-CG1 4.42Å; V274-I278 HydrophobicContact CG1-CG1 4.09Å; V274-I278 PolarHBondContact O-N 3.47Å; R275-I278 PolarHBondContact O-N 2.75Å; I278-E280 VanDerWaalsContact C-N 3.32Å; I278-E280 PolarHBondContact O-N 3.43Å; I278-A281 PolarHBondContact O-N 3.07Å; I278-M282 HydrophobicContact CG2-CG 4.24Å; I278-M282 VanDerWaalsContact O-CG 3.3Å; I278-M282 WeakPolarHBondContact O-CG 3.5Å; I278-M282 PolarHBondContact O-N 3.16Å; I278-A298 HydrophobicContact CD1-CB 3.6Å; I278-A324 HydrophobicContact CD1-CB 4.06Å; I278-A324 HydrophobicContact CG1-CB 4.32Å; I278-L327 HydrophobicContact CB-CB 4.37Å; I278-L327 HydrophobicContact CB-CD1 3.95Å; I278-L327 HydrophobicContact CG2-CB 3.56Å; I278-L327 HydrophobicContact CG2-CD1 4.06Å; I278-L327 HydrophobicContact CG2-CG 4.49Å
279	Q	98.6	Very high	98.3	Very high	53 Å²	53	23 Å²	23	25%	0.248	11%	0.113	C	C	.	.	H	α-helix	trans	-58.4	-43.4	175	-76.3	-61.9	-66	0	0	112.2	R275 H276 M282 R283 W388	R275-Q279 WeakPolarHBondContact O-CB 3.23Å; R275-Q279 VanDerWaalsContact O-CG 3.31Å; R275-Q279 WeakPolarHBondContact O-CG 3.49Å; R275-Q279 PolarHBondContact O-N 3Å; H276-Q279 PolarHBondContact O-N 2.87Å; Q279-M282 PolarHBondContact O-N 3.15Å; Q279-R283 WeakPolarHBondContact O-CB 3.32Å; Q279-R283 PolarHBondContact O-N 3.26Å; Q279-W388 HydrophobicContact CG-CB 4.5Å; Q279-W388 HydrophobicContact CG-CD2 4.49Å; Q279-W388 HydrophobicContact CG-CE3 4.11Å
280	E	98.9	Very high	98.2	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.023	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-42.3	177.2	179.4	60.1	-176.5	0	0	111.9	P215 N241 H276 I278 M282 R283 V284	P215-E280 HydrophobicContact CB-CG 4.31Å; P215-E280 HydrophobicContact CG-CG 4.18Å; N241-E280 WeakPolarHBondContact CB-OE1 3.39Å; N241-E280 PolarHBondContact ND2-OE1 2.92Å; H276-E280 WeakPolarHBondContact O-CB 3.47Å; H276-E280 PolarHBondContact O-N 3.24Å; I278-E280 VanDerWaalsContact C-N 3.32Å; I278-E280 PolarHBondContact O-N 3.43Å; E280-M282 VanDerWaalsContact C-N 3.35Å; E280-M282 PolarHBondContact O-N 3.19Å; E280-R283 PolarHBondContact O-N 2.65Å; E280-R283 IonicContact OE1-CZ 3.34Å; E280-R283 IonicContact OE1-NE 3.89Å; E280-R283 IonicContact OE1-NH2 2.74Å; E280-R283 PolarHBondContact OE1-NH2 3.13Å; E280-R283 IonicContact OE2-CZ 2.74Å; E280-R283 IonicContact OE2-NE 2.65Å; E280-R283 PolarHBondContact OE2-NE 3.05Å; E280-R283 IonicContact OE2-NH2 3.28Å; E280-R283 PolarHBondContact OE2-NH2 3.09Å; E280-V284 HydrophobicContact CG-CG1 4.49Å; E280-V284 WeakPolarHBondContact O-CG1 3.35Å; E280-V284 WeakPolarHBondContact O-CG2 3.41Å; E280-V284 PolarHBondContact O-N 3.31Å; E280-V284 WeakPolarHBondContact OE1-CG1 3.48Å
281	A	98.9	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.8	-45.4	173.4	0	0	0	0	0	112.2	P215 L254 P256 R277 I278 V284 S285 V296	P215-A281 HydrophobicContact CG-CB 4.06Å; L254-A281 WeakPolarHBondContact CD1-O 3.43Å; P256-A281 HydrophobicContact CB-CB 4.24Å; P256-A281 HydrophobicContact CG-CB 3.78Å; R277-A281 PolarHBondContact O-N 3.12Å; I278-A281 PolarHBondContact O-N 3.07Å; A281-V284 WeakPolarHBondContact O-CG2 3.48Å; A281-S285 WeakPolarHBondContact O-CB 3.5Å; A281-S285 PolarHBondContact O-N 2.91Å; A281-V296 HydrophobicContact CB-CG1 3.84Å; A281-V296 HydrophobicContact CB-CG2 4.13Å
282	M	98.6	Very high	98	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.069	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-41.4	175.8	-66.5	-56.4	-66.7	0	0	111.5	I278 Q279 E280 S285 M286 V296 L432	I278-M282 HydrophobicContact CG2-CG 4.24Å; I278-M282 VanDerWaalsContact O-CG 3.3Å; I278-M282 WeakPolarHBondContact O-CG 3.5Å; I278-M282 PolarHBondContact O-N 3.16Å; Q279-M282 PolarHBondContact O-N 3.15Å; E280-M282 VanDerWaalsContact C-N 3.35Å; E280-M282 PolarHBondContact O-N 3.19Å; M282-S285 WeakPolarHBondContact O-CB 3.38Å; M282-S285 PolarHBondContact O-N 2.95Å; M282-S285 PolarHBondContact O-OG 3.3Å; M282-M286 VanDerWaalsContact O-CE 3.23Å; M282-M286 WeakPolarHBondContact O-CE 3.5Å; M282-V296 HydrophobicContact SD-CB 4.24Å; M282-V296 HydrophobicContact SD-CG2 3.67Å; M282-L432 HydrophobicContact CE-CD2 4.17Å
283	R	98.4	Very high	98	Very high	61 Å²	61	31.2 Å²	31.2	23%	0.23	16%	0.159	C	C	.	.	H	α-helix	trans	-59.5	-53.4	177.2	-170.3	-169.2	71.5	80.9	3.1	111.3	Q238 D242 Q279 E280 S285 M286	Q238-R283 PolarHBondContact O-NH2 3.38Å; D242-R283 IonicContact OD1-CZ 3.09Å; D242-R283 VanDerWaalsContact OD1-CZ 3.23Å; D242-R283 IonicContact OD1-NH1 2.78Å; D242-R283 PolarHBondContact OD1-NH1 3.2Å; D242-R283 IonicContact OD1-NH2 3.58Å; D242-R283 PolarHBondContact OD1-NH2 2.87Å; D242-R283 IonicContact OD2-NH1 3.97Å; Q279-R283 WeakPolarHBondContact O-CB 3.32Å; Q279-R283 PolarHBondContact O-N 3.26Å; E280-R283 PolarHBondContact O-N 2.65Å; E280-R283 IonicContact OE1-CZ 3.34Å; E280-R283 IonicContact OE1-NE 3.89Å; E280-R283 IonicContact OE1-NH2 2.74Å; E280-R283 PolarHBondContact OE1-NH2 3.13Å; E280-R283 IonicContact OE2-CZ 2.74Å; E280-R283 IonicContact OE2-NE 2.65Å; E280-R283 PolarHBondContact OE2-NE 3.05Å; E280-R283 IonicContact OE2-NH2 3.28Å; E280-R283 PolarHBondContact OE2-NH2 3.09Å; R283-S285 VanDerWaalsContact C-N 3.26Å; R283-S285 PolarHBondContact O-N 3.04Å; R283-M286 PolarHBondContact O-N 3.03Å
284	V	98.8	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-27	-178.2	-54	0	0	0	0	112.6	P215 N241 W248 L254 E280 A281 M286 L287 P288	P215-V284 HydrophobicContact CB-CG2 4.11Å; P215-V284 HydrophobicContact CG-CG2 3.59Å; N241-V284 HydrophobicContact CB-CG1 4.07Å; W248-V284 HydrophobicContact CD2-CB 4.35Å; W248-V284 HydrophobicContact CD2-CG2 4.39Å; W248-V284 HydrophobicContact CG-CB 4.49Å; L254-V284 HydrophobicContact CD1-CG2 3.68Å; E280-V284 HydrophobicContact CG-CG1 4.49Å; E280-V284 WeakPolarHBondContact O-CG1 3.35Å; E280-V284 WeakPolarHBondContact O-CG2 3.41Å; E280-V284 PolarHBondContact O-N 3.31Å; E280-V284 WeakPolarHBondContact OE1-CG1 3.48Å; A281-V284 WeakPolarHBondContact O-CG2 3.48Å; V284-M286 PolarHBondContact O-N 3.49Å; V284-L287 HydrophobicContact CB-CD1 3.98Å; V284-L287 HydrophobicContact CG1-CD1 3.95Å; V284-L287 WeakPolarHBondContact O-CB 3.48Å; V284-L287 PolarHBondContact O-N 3.31Å; V284-P288 WeakPolarHBondContact O-CD 3.07Å
285	S	98.6	Very high	98	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-26.3	176.1	82.7	0	0	0	0	113.5	A281 M282 R283 A293 I294	A281-S285 WeakPolarHBondContact O-CB 3.5Å; A281-S285 PolarHBondContact O-N 2.91Å; M282-S285 WeakPolarHBondContact O-CB 3.38Å; M282-S285 PolarHBondContact O-N 2.95Å; M282-S285 PolarHBondContact O-OG 3.3Å; R283-S285 VanDerWaalsContact C-N 3.26Å; R283-S285 PolarHBondContact O-N 3.04Å; S285-A293 WeakPolarHBondContact OG-CB 3.45Å; S285-I294 WeakPolarHBondContact CB-O 3.37Å; S285-I294 PolarHBondContact O-N 3.42Å
286	M	98	Very high	98	Very high	58 Å²	58	31.4 Å²	31.4	29%	0.286	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-9.5	-179	-63.8	179.3	-80	0	0	113.1	P30 M282 R283 V284 N289 Q290 A293	P30-M286 HydrophobicContact CB-CG 4.46Å; P30-M286 HydrophobicContact CB-SD 4.34Å; P30-M286 HydrophobicContact CG-CG 4.05Å; P30-M286 HydrophobicContact CG-SD 3.58Å; P30-M286 VanDerWaalsContact CG-SD 3.58Å; M282-M286 VanDerWaalsContact O-CE 3.23Å; M282-M286 WeakPolarHBondContact O-CE 3.5Å; R283-M286 PolarHBondContact O-N 3.03Å; V284-M286 PolarHBondContact O-N 3.49Å; M286-N289 CarbonylContact O-C 3.49Å; M286-N289 PolarHBondContact O-N 3.33Å; M286-N289 VanDerWaalsContact O-O 3.12Å; M286-Q290 PolarHBondContact O-N 3.22Å; M286-A293 HydrophobicContact CG-CB 3.95Å
287	L	97.8	Very high	98	Very high	50 Å²	50	30.3 Å²	30.3	26%	0.262	16%	0.155	S	C	.	.	S	Bend	trans	-59.7	-41.9	-179	-74.4	178.1	0	0	0	113	D242 M245 V284 N289	D242-L287 VanDerWaalsContact OD1-CD1 3.22Å; D242-L287 WeakPolarHBondContact OD1-CD1 3.21Å; M245-L287 HydrophobicContact CE-CB 3.68Å; M245-L287 HydrophobicContact SD-CB 4.19Å; V284-L287 HydrophobicContact CB-CD1 3.98Å; V284-L287 HydrophobicContact CG1-CD1 3.95Å; V284-L287 WeakPolarHBondContact O-CB 3.48Å; V284-L287 PolarHBondContact O-N 3.31Å; L287-N289 VanDerWaalsContact C-N 3.3Å; L287-N289 PolarHBondContact O-N 3.42Å
288	P	97.6	Very high	98	Very high	41 Å²	41	30.1 Å²	30.1	27%	0.266	16%	0.155	S	C	.	.	S	Bend	trans	-61.9	-35.7	174.6	-29.3	39.9	0	0	0	114.2	M245 W248 K249 V284 I294	M245-P288 HydrophobicContact SD-CG 4.24Å; W248-P288 HydrophobicContact CB-CG 3.58Å; K249-P288 HydrophobicContact CG-CB 3.76Å; K249-P288 HydrophobicContact CG-CG 4Å; V284-P288 WeakPolarHBondContact O-CD 3.07Å; P288-I294 HydrophobicContact CG-CD1 4.25Å
289	N	96.3	Very high	98	Very high	80 Å²	80	30.2 Å²	30.2	43%	0.428	16%	0.155	S	C	.	.			trans	-156.5	110.8	-175.2	179.7	-0.4	0	0	0	110.2	M286 L287 S291 Y292	M286-N289 CarbonylContact O-C 3.49Å; M286-N289 PolarHBondContact O-N 3.33Å; M286-N289 VanDerWaalsContact O-O 3.12Å; L287-N289 VanDerWaalsContact C-N 3.3Å; L287-N289 PolarHBondContact O-N 3.42Å; N289-S291 PolarHBondContact O-N 3.38Å; N289-S291 PolarHBondContact OD1-N 2.78Å; N289-Y292 CarbonylContact O-C 3.54Å; N289-Y292 PolarHBondContact O-N 2.8Å
290	Q	94.2	Very high	97.9	Very high	131 Å²	131	27.7 Å²	27.7	61%	0.612	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.3	-177.3	-68.4	179.5	-17.3	0	0	114.3	W27 M286	W27-Q290 HydrophobicContact CZ3-CB 4.46Å; W27-Q290 HydrophobicContact CZ3-CG 4.34Å; M286-Q290 PolarHBondContact O-N 3.22Å
291	S	95.1	Very high	97.7	Very high	81 Å²	81	28.4 Å²	28.4	57%	0.566	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.1	177.4	-51.7	0	0	0	0	113.5	K31 N289	K31-S291 VanDerWaalsContact CG-O 3.28Å; K31-S291 WeakPolarHBondContact CG-O 3.22Å; K31-S291 PolarHBondContact N-O 3.28Å; N289-S291 PolarHBondContact O-N 3.38Å; N289-S291 PolarHBondContact OD1-N 2.78Å
292	Y	97.2	Very high	97.3	Very high	46 Å²	46	28.4 Å²	28.4	18%	0.18	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.1	-178.1	171.5	-91.1	0	0	0	111.5	K31 D33 N289 I294	K31-Y292 HydrophobicContact CG-CD2 4.32Å; K31-Y292 CarbonylContact O-C 3.55Å; K31-Y292 VanDerWaalsContact O-CA 3.27Å; K31-Y292 WeakPolarHBondContact O-CA 3.45Å; D33-Y292 PolarHBondContact OD2-OH 3.03Å; N289-Y292 CarbonylContact O-C 3.54Å; N289-Y292 PolarHBondContact O-N 2.8Å; Y292-I294 HydrophobicContact CD1-CG1 4.42Å; Y292-I294 HydrophobicContact CE1-CB 4.42Å; Y292-I294 HydrophobicContact CE1-CG1 3.83Å
293	A	97.9	Very high	97.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121	173.1	0	0	0	0	0	110.4	P30 K31 T32 S285 M286	P30-A293 HydrophobicContact CB-CB 4.25Å; P30-A293 HydrophobicContact CG-CB 3.79Å; K31-A293 PolarHBondContact O-N 3.17Å; T32-A293 WeakPolarHBondContact CB-O 3.49Å; T32-A293 PolarHBondContact OG1-O 3.43Å; S285-A293 WeakPolarHBondContact OG-CB 3.45Å; M286-A293 HydrophobicContact CG-CB 3.95Å
294	I	98.6	Very high	96.9	Very high	8 Å²	8	25 Å²	25	4%	0.041	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-58.6	131.7	170.7	-60.2	163.5	0	0	0	109.3	W248 L254 S285 P288 Y292 V296	W248-I294 WeakPolarHBondContact O-CD1 3.47Å; L254-I294 HydrophobicContact CG-CB 4.43Å; L254-I294 HydrophobicContact CG-CG2 4.04Å; S285-I294 WeakPolarHBondContact CB-O 3.37Å; S285-I294 PolarHBondContact O-N 3.42Å; P288-I294 HydrophobicContact CG-CD1 4.25Å; Y292-I294 HydrophobicContact CD1-CG1 4.42Å; Y292-I294 HydrophobicContact CE1-CB 4.42Å; Y292-I294 HydrophobicContact CE1-CG1 3.83Å; I294-V296 PolarHBondContact O-N 3.29Å
295	P	98.4	Very high	96.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-56	131.8	177.9	-27.3	35.2	0	0	0	113.2	D33 A253 L254 Y297 A330	D33-P295 HydrophobicContact CB-CG 3.96Å; A253-P295 CarbonylContact C-O 3.59Å; A253-P295 VanDerWaalsContact CA-O 3.29Å; A253-P295 WeakPolarHBondContact CA-O 3.48Å; L254-P295 PolarHBondContact N-O 2.94Å; P295-Y297 HydrophobicContact CB-CD2 4.48Å; P295-Y297 HydrophobicContact CB-CE2 3.74Å; P295-A330 HydrophobicContact CB-CB 4.21Å
296	V	98.9	Very high	96.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-104.1	125.7	178.6	179.5	0	0	0	0	110	L254 P256 A281 M282 I294 A329 A330	L254-V296 HydrophobicContact CB-CG2 4.3Å; L254-V296 HydrophobicContact CD1-CG2 4.32Å; P256-V296 HydrophobicContact CG-CG1 3.83Å; A281-V296 HydrophobicContact CB-CG1 3.84Å; A281-V296 HydrophobicContact CB-CG2 4.13Å; M282-V296 HydrophobicContact SD-CB 4.24Å; M282-V296 HydrophobicContact SD-CG2 3.67Å; I294-V296 PolarHBondContact O-N 3.29Å; V296-A329 HydrophobicContact CB-CB 4.38Å; V296-A329 HydrophobicContact CG1-CB 4.36Å; V296-A330 PolarHBondContact O-N 3.33Å
297	Y	98.9	Very high	96.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	100.9	174	-62.4	-82.2	0	0	0	109.6	L43 M45 L135 L208 A253 L254 Y255 P295 A330 G331	L43-Y297 HydrophobicContact CD1-CE1 4.25Å; M45-Y297 HydrophobicContact CE-CD1 3.39Å; M45-Y297 HydrophobicContact CE-CE1 4.07Å; M45-Y297 HydrophobicContact CE-CG 4.17Å; L135-Y297 HydrophobicContact CD1-CG 4.41Å; L135-Y297 HydrophobicContact CD2-CD2 4.14Å; L135-Y297 HydrophobicContact CD2-CE2 3.93Å; L208-Y297 HydrophobicContact CD1-CE2 3.62Å; A253-Y297 HydrophobicContact CB-CD2 3.99Å; A253-Y297 HydrophobicContact CB-CE2 4.17Å; L254-Y297 PolarHBondContact O-N 2.67Å; Y255-Y297 WeakPolarHBondContact CA-O 3.36Å; Y255-Y297 HydrophobicContact CE1-CD2 4.06Å; Y255-Y297 HydrophobicContact CE1-CG 4.31Å; P295-Y297 HydrophobicContact CB-CD2 4.48Å; P295-Y297 HydrophobicContact CB-CE2 3.74Å; Y297-A330 HydrophobicContact CD1-CB 4Å; Y297-A330 HydrophobicContact CE1-CB 3.49Å; Y297-A330 VanDerWaalsContact CE1-CB 3.49Å; Y297-A330 HydrophobicContact CE2-CB 4.19Å; Y297-G331 WeakPolarHBondContact CA-O 3.44Å
298	A	98.8	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.9	-171.4	0	0	0	0	0	111.7	P256 I258 I278 G331 V332 I333	P256-A298 HydrophobicContact CG-CB 4.25Å; P256-A298 WeakPolarHBondContact O-CA 3.19Å; I258-A298 HydrophobicContact CD1-CB 3.87Å; I258-A298 HydrophobicContact CG1-CB 4.05Å; I278-A298 HydrophobicContact CD1-CB 3.6Å; A298-G331 PolarHBondContact N-O 3.29Å; A298-V332 HydrophobicContact CB-CG1 4.37Å; A298-V332 CarbonylContact O-C 3.58Å; A298-V332 VanDerWaalsContact O-CA 3.23Å; A298-V332 WeakPolarHBondContact O-CA 3.34Å; A298-I333 PolarHBondContact O-N 3.04Å
299	Y	98.8	Very high	94.7	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.5	174.9	-94.5	-98.8	0	0	0	110.5	I137 Y212 Y255 P256 I258 Y259 I333 W335	I137-Y299 HydrophobicContact CG1-CE2 4.24Å; I137-Y299 WeakPolarHBondContact CG1-OH 3.49Å; I137-Y299 HydrophobicContact CG2-CE2 4.22Å; Y212-Y299 HydrophobicContact CD2-CD1 4.05Å; Y212-Y299 AromaticContact CD2-CD2 3.79Å; Y212-Y299 HydrophobicContact CD2-CD2 3.79Å; Y212-Y299 HydrophobicContact CD2-CE1 4.35Å; Y212-Y299 HydrophobicContact CD2-CE2 4.09Å; Y212-Y299 AromaticContact CD2-CG 3.76Å; Y212-Y299 HydrophobicContact CD2-CG 3.76Å; Y212-Y299 AromaticContact CE2-CD1 3.95Å; Y212-Y299 HydrophobicContact CE2-CD1 3.95Å; Y212-Y299 HydrophobicContact CE2-CD2 4.23Å; Y212-Y299 AromaticContact CE2-CG 3.74Å; Y212-Y299 HydrophobicContact CE2-CG 3.74Å; Y255-Y299 HydrophobicContact CD1-CD2 4.44Å; Y255-Y299 AromaticContact CD1-CE2 3.99Å; Y255-Y299 HydrophobicContact CD1-CE2 3.99Å; Y255-Y299 HydrophobicContact CG-CE2 4.28Å; P256-Y299 PolarHBondContact O-N 2.86Å; I258-Y299 WeakPolarHBondContact CG1-O 3.41Å; I258-Y299 PolarHBondContact N-O 2.92Å; Y259-Y299 WeakPolarHBondContact CD1-O 3.45Å; Y259-Y299 VanDerWaalsContact CE1-C 3.46Å; Y259-Y299 WeakPolarHBondContact CE1-O 3.36Å; Y259-Y299 WeakPolarHBondContact OH-CD1 3.43Å; Y299-I333 WeakPolarHBondContact CA-O 3.42Å; Y299-I333 HydrophobicContact CD1-CB 4.25Å; Y299-I333 HydrophobicContact CD1-CG2 4.16Å; Y299-I333 HydrophobicContact CD2-CB 4.29Å; Y299-I333 HydrophobicContact CD2-CD1 3.89Å; Y299-I333 HydrophobicContact CE1-CB 4.19Å; Y299-I333 HydrophobicContact CE1-CG2 3.7Å; Y299-I333 HydrophobicContact CE2-CB 4.24Å; Y299-I333 HydrophobicContact CE2-CD1 3.37Å; Y299-I333 HydrophobicContact CE2-CG1 4.39Å; Y299-I333 HydrophobicContact CE2-CG2 4.37Å; Y299-I333 HydrophobicContact CG-CB 4.3Å; Y299-W335 HydrophobicContact CD1-CB 3.72Å; Y299-W335 HydrophobicContact CD1-CG 4.31Å; Y299-W335 HydrophobicContact CE1-CB 3.87Å; Y299-W335 HydrophobicContact CE1-CG 4.18Å
300	I	97.8	Very high	94.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	161.1	170.2	68.5	175.7	0	0	0	109.8	I258 I321 V332 I333 S334 W335 M358	I258-I300 HydrophobicContact CD1-CG2 3.55Å; I258-I300 HydrophobicContact CG1-CG2 3.69Å; I300-I321 HydrophobicContact CD1-CD1 3.71Å; I300-I321 HydrophobicContact CD1-CG1 3.64Å; I300-V332 HydrophobicContact CD1-CB 4.34Å; I300-V332 HydrophobicContact CD1-CG2 4.39Å; I300-V332 HydrophobicContact CG2-CB 4.47Å; I300-V332 HydrophobicContact CG2-CG1 4.25Å; I300-I333 PolarHBondContact N-O 2.92Å; I300-S334 WeakPolarHBondContact O-CA 3.32Å; I300-W335 PolarHBondContact O-N 3.21Å; I300-M358 HydrophobicContact CD1-CE 4.26Å
301	R	94.9	Very high	94.6	Very high	19 Å²	19	27.1 Å²	27.1	7%	0.072	15%	0.148	C	C	.	.			trans	-112.1	147.4	163.2	-72.2	-174.8	74.2	179.4	7.1	109.1	Y259 V303 K305 M312 W335 D337	Y259-R301 HydrophobicContact CD1-CB 4.38Å; Y259-R301 HydrophobicContact CD1-CG 3.8Å; Y259-R301 HydrophobicContact CD2-CG 3.91Å; Y259-R301 HydrophobicContact CE1-CB 4.5Å; Y259-R301 HydrophobicContact CE1-CG 3.64Å; Y259-R301 HydrophobicContact CE2-CG 3.78Å; Y259-R301 HydrophobicContact CG-CG 3.93Å; R301-V303 WeakPolarHBondContact CB-O 3.41Å; R301-V303 PolarHBondContact O-N 3.37Å; R301-K305 PolarHBondContact NH1-O 3.12Å; R301-M312 WeakPolarHBondContact O-CE 3.27Å; R301-W335 HydrophobicContact CG-CE3 3.99Å; R301-D337 IonicContact CZ-OD2 3.23Å; R301-D337 IonicContact NH2-OD1 3.41Å; R301-D337 IonicContact NH2-OD2 2.78Å; R301-D337 PolarHBondContact NH2-OD2 3.24Å
302	P	89.8	Confident	94.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.122	C	C	.	.	S	Bend	trans	-69.8	-20	171.8	30.6	-34.1	0	0	0	112.2	W46 Y311 M312 W335	W46-P302 HydrophobicContact CH2-CB 4.45Å; W46-P302 HydrophobicContact CH2-CG 4.13Å; W46-P302 HydrophobicContact CZ3-CG 4.49Å; P302-Y311 HydrophobicContact CB-CD1 4.01Å; P302-Y311 HydrophobicContact CB-CE1 3.88Å; P302-Y311 HydrophobicContact CG-CE1 4.29Å; P302-Y311 WeakPolarHBondContact O-CA 3.34Å; P302-Y311 WeakPolarHBondContact O-CD1 3.32Å; P302-M312 PolarHBondContact O-N 2.63Å; P302-W335 WeakPolarHBondContact CD-O 3.42Å
303	V	93.8	Very high	94.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-112.9	163.7	175.3	-62.2	0	0	0	0	111.2	R301 S307 D310 Y311	R301-V303 WeakPolarHBondContact CB-O 3.41Å; R301-V303 PolarHBondContact O-N 3.37Å; V303-S307 WeakPolarHBondContact CG2-O 3.37Å; V303-D310 CarbonylContact C-O 3.51Å; V303-D310 WeakPolarHBondContact CA-O 3.49Å; V303-D310 WeakPolarHBondContact CB-O 3.41Å; V303-Y311 HydrophobicContact CG1-CD1 4Å; V303-Y311 HydrophobicContact CG1-CD2 3.62Å; V303-Y311 HydrophobicContact CG1-CE1 4Å; V303-Y311 HydrophobicContact CG1-CE2 3.56Å; V303-Y311 HydrophobicContact CG1-CG 3.82Å
304	F	95.2	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.			trans	-64.8	150.5	173.3	-67	-84.2	0	0	0	111.9	L260 E261 L262 R265 D306 S307 D310 M312 D316	L260-F304 HydrophobicContact CB-CD1 3.82Å; L260-F304 HydrophobicContact CB-CE1 3.95Å; L260-F304 HydrophobicContact CD1-CE1 4.45Å; L260-F304 CarbonylContact O-C 3.56Å; L260-F304 WeakPolarHBondContact O-CA 3.13Å; L260-F304 WeakPolarHBondContact O-CD1 3.34Å; E261-F304 WeakPolarHBondContact O-CD1 3.42Å; L262-F304 HydrophobicContact CD2-CB 4.08Å; L262-F304 HydrophobicContact CD2-CD1 4.46Å; L262-F304 HydrophobicContact CD2-CD2 3.44Å; L262-F304 VanDerWaalsContact CD2-CD2 3.44Å; L262-F304 HydrophobicContact CD2-CE2 4Å; L262-F304 HydrophobicContact CD2-CG 3.72Å; L262-F304 HydrophobicContact CG-CB 3.84Å; L262-F304 HydrophobicContact CG-CD2 4.18Å; L262-F304 HydrophobicContact CG-CG 3.98Å; R265-F304 HydrophobicContact CB-CE1 3.86Å; R265-F304 HydrophobicContact CB-CE2 4.31Å; R265-F304 HydrophobicContact CB-CZ 3.59Å; R265-F304 HydrophobicContact CG-CE1 4.34Å; R265-F304 HydrophobicContact CG-CE2 4.06Å; R265-F304 HydrophobicContact CG-CZ 3.57Å; F304-D306 PolarHBondContact O-N 3.02Å; F304-S307 PolarHBondContact O-N 3.24Å; F304-S307 VanDerWaalsContact O-N 3.12Å; F304-D310 HydrophobicContact CD2-CB 3.75Å; F304-D310 WeakPolarHBondContact CD2-O 3.27Å; F304-D310 HydrophobicContact CE2-CB 4.36Å; F304-D310 PolarHBondContact N-O 3.35Å; F304-D310 VanDerWaalsContact N-O 3.08Å; F304-M312 HydrophobicContact CZ-CG 4.39Å; F304-D316 WeakPolarHBondContact CZ-OD2 3.26Å
305	K	93.8	Very high	94.7	Very high	95 Å²	95	31.7 Å²	31.7	41%	0.413	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-39.8	-177.3	-179.1	-178.6	163	-157.6	0	112.6	L260 E261 R301	L260-K305 PolarHBondContact O-N 3.35Å; E261-K305 HydrophobicContact CG-CB 4Å; E261-K305 HydrophobicContact CG-CD 3.92Å; E261-K305 HydrophobicContact CG-CG 4.44Å; E261-K305 IonicContact OE1-NZ 3.03Å; E261-K305 PolarHBondContact OE1-NZ 3.17Å; R301-K305 PolarHBondContact NH1-O 3.12Å
306	D	93.7	Very high	94.7	Very high	90 Å²	90	31.7 Å²	31.7	48%	0.481	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	16.7	-175.9	58	-22.8	0	0	0	113	E261 L262 F304	E261-D306 WeakPolarHBondContact CA-OD1 3.49Å; L262-D306 PolarHBondContact N-OD1 3.19Å; L262-D306 PolarHBondContact N-OD2 3.2Å; F304-D306 PolarHBondContact O-N 3.02Å
307	S	90.2	Very high	94.7	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.133	16%	0.161	C	C	.	.			trans	-141.6	138.1	173.8	-178	0	0	0	0	112.5	V303 F304 D309 D310	V303-S307 WeakPolarHBondContact CG2-O 3.37Å; F304-S307 PolarHBondContact O-N 3.24Å; F304-S307 VanDerWaalsContact O-N 3.12Å; S307-D309 PolarHBondContact OG-N 3.41Å; S307-D310 WeakPolarHBondContact OG-CB 3.24Å; S307-D310 PolarHBondContact OG-N 3.43Å; S307-D310 VanDerWaalsContact OG-N 3.11Å; S307-D310 PolarHBondContact OG-OD2 2.88Å
308	G	82.5	Confident	94.7	Very high	25 Å²	25	32.7 Å²	32.7	26%	0.258	17%	0.168	S	C	.	.	S	Bend	trans	-82.8	-21.8	176	0	0	0	0	0	114.3
309	D	84.7	Confident	94.6	Very high	100 Å²	100	32.7 Å²	32.7	54%	0.535	17%	0.168	S	C	.	.	S	Bend	trans	-127.8	-10.9	-167.3	-65	-45.7	0	0	0	114	S307 Y311	S307-D309 PolarHBondContact OG-N 3.41Å; D309-Y311 WeakPolarHBondContact O-CD2 3.42Å; D309-Y311 PolarHBondContact O-N 3.03Å
310	D	92.4	Very high	94.6	Very high	53 Å²	53	32.6 Å²	32.6	28%	0.283	17%	0.167	S	C	.	.			trans	-83.5	96.4	176.2	-74.2	-79.4	0	0	0	111	L262 R265 V303 F304 S307	L262-D310 HydrophobicContact CD2-CB 3.85Å; R265-D310 IonicContact CZ-OD1 3.75Å; R265-D310 IonicContact NH1-OD1 2.73Å; R265-D310 PolarHBondContact NH1-OD1 3.36Å; R265-D310 IonicContact NH2-OD1 2.72Å; R265-D310 PolarHBondContact NH2-OD1 3.49Å; V303-D310 CarbonylContact C-O 3.51Å; V303-D310 WeakPolarHBondContact CA-O 3.49Å; V303-D310 WeakPolarHBondContact CB-O 3.41Å; F304-D310 HydrophobicContact CD2-CB 3.75Å; F304-D310 WeakPolarHBondContact CD2-O 3.27Å; F304-D310 HydrophobicContact CE2-CB 4.36Å; F304-D310 PolarHBondContact N-O 3.35Å; F304-D310 VanDerWaalsContact N-O 3.08Å; S307-D310 WeakPolarHBondContact OG-CB 3.24Å; S307-D310 PolarHBondContact OG-N 3.43Å; S307-D310 VanDerWaalsContact OG-N 3.11Å; S307-D310 PolarHBondContact OG-OD2 2.88Å
311	Y	95	Very high	94.7	Very high	24 Å²	24	32.6 Å²	32.6	9%	0.094	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-73.1	144.5	174.7	-76.4	-103.7	0	0	0	112.4	P302 V303 D309 T349 A350 H353	P302-Y311 HydrophobicContact CB-CD1 4.01Å; P302-Y311 HydrophobicContact CB-CE1 3.88Å; P302-Y311 HydrophobicContact CG-CE1 4.29Å; P302-Y311 WeakPolarHBondContact O-CA 3.34Å; P302-Y311 WeakPolarHBondContact O-CD1 3.32Å; V303-Y311 HydrophobicContact CG1-CD1 4Å; V303-Y311 HydrophobicContact CG1-CD2 3.62Å; V303-Y311 HydrophobicContact CG1-CE1 4Å; V303-Y311 HydrophobicContact CG1-CE2 3.56Å; V303-Y311 HydrophobicContact CG1-CG 3.82Å; D309-Y311 WeakPolarHBondContact O-CD2 3.42Å; D309-Y311 PolarHBondContact O-N 3.03Å; Y311-T349 HydrophobicContact CD2-CG2 3.67Å; Y311-T349 HydrophobicContact CE2-CG2 3.55Å; Y311-A350 HydrophobicContact CE1-CB 4.46Å; Y311-A350 VanDerWaalsContact OH-CA 3.32Å; Y311-A350 WeakPolarHBondContact OH-CA 3.27Å; Y311-A350 WeakPolarHBondContact OH-CB 3.35Å; Y311-H353 WeakPolarHBondContact CB-CD2 3.41Å; Y311-H353 HydrophobicContact CD1-CB 3.53Å; Y311-H353 AromaticContact CD1-CD2 3.76Å; Y311-H353 AromaticContact CD1-CE1 3.97Å; Y311-H353 AromaticContact CD1-CG 3.31Å; Y311-H353 AromaticContact CD1-ND1 3.52Å; Y311-H353 HydrophobicContact CE1-CB 4.02Å; Y311-H353 HydrophobicContact CG-CB 3.92Å; Y311-H353 AromaticContact CG-CD2 3.88Å; Y311-H353 AromaticContact CG-CG 3.8Å
312	M	96.3	Very high	94.8	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.02	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-61.4	136.7	176.7	-71.7	-158.4	-65	0	0	111.6	L260 R301 P302 F304 D316 L317 T320 H353	L260-M312 HydrophobicContact CD1-SD 4.1Å; R301-M312 WeakPolarHBondContact O-CE 3.27Å; P302-M312 PolarHBondContact O-N 2.63Å; F304-M312 HydrophobicContact CZ-CG 4.39Å; M312-D316 HydrophobicContact CB-CB 3.79Å; M312-D316 HydrophobicContact CG-CB 4.08Å; M312-D316 HydrophobicContact SD-CB 4.09Å; M312-L317 HydrophobicContact CB-CD2 4.07Å; M312-L317 HydrophobicContact CE-CD2 3.64Å; M312-T320 HydrophobicContact CE-CG2 4.31Å; M312-T320 HydrophobicContact SD-CG2 3.98Å; M312-H353 PolarHBondContact O-NE2 3.32Å
313	S	98	Very high	95.3	Very high	28 Å²	28	31.7 Å²	31.7	20%	0.196	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-71.7	171.2	173.1	83.1	0	0	0	0	110.9	D266 Y315 D316 L317	D266-S313 VanDerWaalsContact OD1-CB 3.26Å; D266-S313 WeakPolarHBondContact OD1-CB 3.36Å; D266-S313 PolarHBondContact OD1-OG 3.45Å; S313-Y315 PolarHBondContact O-N 3.15Å; S313-Y315 WeakPolarHBondContact OG-CB 3.39Å; S313-Y315 PolarHBondContact OG-N 3.34Å; S313-D316 PolarHBondContact N-OD2 2.81Å; S313-D316 PolarHBondContact O-N 3.05Å; S313-D316 PolarHBondContact OG-N 3.39Å; S313-D316 VanDerWaalsContact OG-N 3.13Å; S313-D316 PolarHBondContact OG-OD2 2.87Å; S313-L317 WeakPolarHBondContact O-CG 3.46Å; S313-L317 PolarHBondContact O-N 3.26Å
314	E	98.1	Very high	95.5	Very high	108 Å²	108	31.6 Å²	31.6	51%	0.505	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-33.2	169.5	-173.4	175.4	165.6	0	0	111.7	L317 V318 I357 Y361	E314-L317 PolarHBondContact O-N 3.41Å; E314-V318 WeakPolarHBondContact O-CG2 3.47Å; E314-V318 PolarHBondContact O-N 3.04Å; E314-I357 HydrophobicContact CB-CG2 4.14Å; E314-Y361 HydrophobicContact CG-CD2 3.97Å
315	Y	98.3	Very high	95.7	Very high	93 Å²	93	31.8 Å²	31.8	37%	0.365	17%	0.165	S	C	.	.	H	α-helix	trans	-66.2	-41.2	177.5	-172.1	-89.1	0	0	0	111.5	D266 R271 S313 V318 N319	D266-Y315 VanDerWaalsContact C-CE1 3.49Å; D266-Y315 HydrophobicContact CB-CD1 4.41Å; R271-Y315 PolarHBondContact NH2-OH 2.94Å; S313-Y315 PolarHBondContact O-N 3.15Å; S313-Y315 WeakPolarHBondContact OG-CB 3.39Å; S313-Y315 PolarHBondContact OG-N 3.34Å; Y315-V318 WeakPolarHBondContact O-CB 3.44Å; Y315-V318 PolarHBondContact O-N 2.81Å; Y315-N319 VanDerWaalsContact CD1-ND2 3.27Å; Y315-N319 WeakPolarHBondContact CD1-ND2 3.47Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.32Å; Y315-N319 PolarHBondContact O-N 3.06Å; Y315-N319 PolarHBondContact O-ND2 2.92Å
316	D	98.6	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.6	-35.3	173.5	-63.9	-46.2	0	0	0	112.3	L260 D266 F304 M312 S313 V318 N319 T320	L260-D316 HydrophobicContact CD1-CB 4.18Å; D266-D316 PolarHBondContact N-OD1 3.48Å; F304-D316 WeakPolarHBondContact CZ-OD2 3.26Å; M312-D316 HydrophobicContact CB-CB 3.79Å; M312-D316 HydrophobicContact CG-CB 4.08Å; M312-D316 HydrophobicContact SD-CB 4.09Å; S313-D316 PolarHBondContact N-OD2 2.81Å; S313-D316 PolarHBondContact O-N 3.05Å; S313-D316 PolarHBondContact OG-N 3.39Å; S313-D316 VanDerWaalsContact OG-N 3.13Å; S313-D316 PolarHBondContact OG-OD2 2.87Å; D316-V318 VanDerWaalsContact C-N 3.29Å; D316-V318 PolarHBondContact O-N 3.45Å; D316-N319 CarbonylContact O-C 3.12Å; D316-N319 PolarHBondContact O-N 2.91Å; D316-T320 WeakPolarHBondContact O-CB 3.47Å; D316-T320 WeakPolarHBondContact O-CG2 3.22Å; D316-T320 PolarHBondContact O-N 3.41Å; D316-T320 PolarHBondContact O-OG1 2.86Å
317	L	98.6	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-37	171.1	-64.5	-172.1	0	0	0	111.5	M312 S313 E314 T320 I321 G322 I357 M358 Y361	M312-L317 HydrophobicContact CB-CD2 4.07Å; M312-L317 HydrophobicContact CE-CD2 3.64Å; S313-L317 WeakPolarHBondContact O-CG 3.46Å; S313-L317 PolarHBondContact O-N 3.26Å; E314-L317 PolarHBondContact O-N 3.41Å; L317-T320 WeakPolarHBondContact CA-OG1 3.47Å; L317-T320 PolarHBondContact O-N 3.23Å; L317-T320 PolarHBondContact O-OG1 2.72Å; L317-I321 HydrophobicContact CD2-CD1 4.11Å; L317-I321 WeakPolarHBondContact O-CB 3.35Å; L317-I321 PolarHBondContact O-N 2.82Å; L317-G322 PolarHBondContact O-N 3.14Å; L317-G322 VanDerWaalsContact O-N 3.14Å; L317-I357 HydrophobicContact CD1-CG2 3.83Å; L317-M358 HydrophobicContact CD1-CB 4.31Å; L317-M358 HydrophobicContact CD1-CG 4.24Å; L317-Y361 HydrophobicContact CB-CD1 3.68Å; L317-Y361 HydrophobicContact CB-CE1 3.76Å; L317-Y361 HydrophobicContact CB-CG 4.18Å; L317-Y361 HydrophobicContact CD1-CD1 3.94Å; L317-Y361 HydrophobicContact CD1-CG 4.13Å; L317-Y361 HydrophobicContact CG-CD1 4.44Å
318	V	98.6	Very high	96.5	Very high	23 Å²	23	22.2 Å²	22.2	14%	0.139	12%	0.118	C	C	.	.	I	π-helix	trans	-63.1	-45.8	171.5	173.1	0	0	0	0	111.6	E314 Y315 D316 T320 G322 E323 Y361 Y393	E314-V318 WeakPolarHBondContact O-CG2 3.47Å; E314-V318 PolarHBondContact O-N 3.04Å; Y315-V318 WeakPolarHBondContact O-CB 3.44Å; Y315-V318 PolarHBondContact O-N 2.81Å; D316-V318 VanDerWaalsContact C-N 3.29Å; D316-V318 PolarHBondContact O-N 3.45Å; V318-T320 PolarHBondContact O-N 3.33Å; V318-G322 CarbonylContact O-C 3.57Å; V318-G322 WeakPolarHBondContact O-CA 3.48Å; V318-G322 PolarHBondContact O-N 3.27Å; V318-E323 PolarHBondContact O-N 2.92Å; V318-E323 VanDerWaalsContact O-N 3.16Å; V318-Y361 VanDerWaalsContact CA-OH 3.27Å; V318-Y361 WeakPolarHBondContact CA-OH 3.15Å; V318-Y361 HydrophobicContact CG2-CE2 3.53Å; V318-Y393 HydrophobicContact CG1-CD1 4.31Å; V318-Y393 HydrophobicContact CG1-CD2 4.37Å; V318-Y393 HydrophobicContact CG1-CE1 3.9Å; V318-Y393 HydrophobicContact CG1-CE2 3.99Å
319	N	98.3	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-69.7	-18.5	179.5	-65.1	-28.5	0	0	0	113.4	S267 A270 R271 V274 Y315 D316 E323	S267-N319 PolarHBondContact O-ND2 2.87Å; S267-N319 VanDerWaalsContact O-ND2 3.11Å; A270-N319 HydrophobicContact CB-CB 4.16Å; R271-N319 HydrophobicContact CB-CB 4.24Å; R271-N319 WeakPolarHBondContact CB-OD1 3.23Å; R271-N319 PolarHBondContact NE-OD1 2.78Å; V274-N319 WeakPolarHBondContact CB-O 3.42Å; V274-N319 WeakPolarHBondContact CG1-O 3.42Å; V274-N319 WeakPolarHBondContact CG2-O 3.37Å; Y315-N319 VanDerWaalsContact CD1-ND2 3.27Å; Y315-N319 WeakPolarHBondContact CD1-ND2 3.47Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.32Å; Y315-N319 PolarHBondContact O-N 3.06Å; Y315-N319 PolarHBondContact O-ND2 2.92Å; D316-N319 CarbonylContact O-C 3.12Å; D316-N319 PolarHBondContact O-N 2.91Å; N319-E323 WeakPolarHBondContact O-CG 3.4Å
320	T	98.6	Very high	97.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-102.4	-80.8	178.4	50.5	0	0	0	0	111.9	L260 V274 M312 D316 L317 V318 G322 E323 A324	L260-T320 HydrophobicContact CD1-CG2 3.67Å; L260-T320 HydrophobicContact CD2-CG2 4.45Å; L260-T320 HydrophobicContact CG-CG2 3.79Å; V274-T320 HydrophobicContact CG2-CG2 3.95Å; M312-T320 HydrophobicContact CE-CG2 4.31Å; M312-T320 HydrophobicContact SD-CG2 3.98Å; D316-T320 WeakPolarHBondContact O-CB 3.47Å; D316-T320 WeakPolarHBondContact O-CG2 3.22Å; D316-T320 PolarHBondContact O-N 3.41Å; D316-T320 PolarHBondContact O-OG1 2.86Å; L317-T320 WeakPolarHBondContact CA-OG1 3.47Å; L317-T320 PolarHBondContact O-N 3.23Å; L317-T320 PolarHBondContact O-OG1 2.72Å; V318-T320 PolarHBondContact O-N 3.33Å; T320-G322 VanDerWaalsContact C-N 3.34Å; T320-G322 PolarHBondContact O-N 3.46Å; T320-E323 PolarHBondContact O-N 3.27Å; T320-A324 PolarHBondContact O-N 3.1Å
321	I	98.8	Very high	98.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-59.2	-44.5	-178.9	-64.1	178.5	0	0	0	111	F42 F44 I300 L317 A324 A325 V332 M358 Y361 V365	F42-I321 HydrophobicContact CE1-CG2 4.1Å; F42-I321 HydrophobicContact CZ-CG2 4.43Å; F44-I321 HydrophobicContact CE1-CD1 4.26Å; F44-I321 HydrophobicContact CE1-CG2 3.45Å; F44-I321 VanDerWaalsContact CE1-CG2 3.45Å; F44-I321 HydrophobicContact CZ-CG2 3.96Å; I300-I321 HydrophobicContact CD1-CD1 3.71Å; I300-I321 HydrophobicContact CD1-CG1 3.64Å; L317-I321 HydrophobicContact CD2-CD1 4.11Å; L317-I321 WeakPolarHBondContact O-CB 3.35Å; L317-I321 PolarHBondContact O-N 2.82Å; I321-A324 PolarHBondContact O-N 2.69Å; I321-A325 WeakPolarHBondContact O-CB 3.5Å; I321-A325 PolarHBondContact O-N 3.17Å; I321-V332 HydrophobicContact CG1-CG2 4.17Å; I321-M358 HydrophobicContact CD1-CE 4.45Å; I321-Y361 HydrophobicContact CB-CE1 3.86Å; I321-Y361 HydrophobicContact CD1-CD1 4.37Å; I321-Y361 HydrophobicContact CD1-CE1 4.39Å; I321-Y361 HydrophobicContact CG2-CD1 4.45Å; I321-Y361 HydrophobicContact CG2-CE1 3.75Å; I321-V365 HydrophobicContact CG2-CG2 4.46Å
322	G	98.6	Very high	98.4	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	6%	0.063	C	C	.	.	I	π-helix	trans	-61.4	-46	-179.1	0	0	0	0	0	112.2	L317 V318 T320 A326 Y361	L317-G322 PolarHBondContact O-N 3.14Å; L317-G322 VanDerWaalsContact O-N 3.14Å; V318-G322 CarbonylContact O-C 3.57Å; V318-G322 WeakPolarHBondContact O-CA 3.48Å; V318-G322 PolarHBondContact O-N 3.27Å; T320-G322 VanDerWaalsContact C-N 3.34Å; T320-G322 PolarHBondContact O-N 3.46Å; G322-A326 VanDerWaalsContact O-CB 3.31Å; G322-A326 WeakPolarHBondContact O-CB 3.36Å; G322-A326 PolarHBondContact O-N 3.26Å; G322-Y361 WeakPolarHBondContact CA-OH 3.28Å; G322-Y361 PolarHBondContact N-OH 3.42Å
323	E	98.7	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.9	-47	174.2	-77.5	-65.5	123.8	0	0	111.6	R271 V274 R275 V318 N319 T320 A325 A326 L327 R385 Y393	R271-E323 HydrophobicContact CG-CG 3.79Å; V274-E323 HydrophobicContact CG1-CB 3.93Å; R275-E323 WeakPolarHBondContact CB-OE2 3.26Å; R275-E323 WeakPolarHBondContact CG-OE2 3.3Å; R275-E323 IonicContact CZ-OE1 3.75Å; R275-E323 IonicContact CZ-OE2 2.87Å; R275-E323 IonicContact NE-OE1 3.52Å; R275-E323 IonicContact NE-OE2 3.73Å; R275-E323 PolarHBondContact NE-OE2 3.37Å; R275-E323 IonicContact NH2-OE1 3.86Å; R275-E323 PolarHBondContact NH2-OE1 3.38Å; R275-E323 IonicContact NH2-OE2 3.15Å; R275-E323 PolarHBondContact NH2-OE2 2.98Å; V318-E323 PolarHBondContact O-N 2.92Å; V318-E323 VanDerWaalsContact O-N 3.16Å; N319-E323 WeakPolarHBondContact O-CG 3.4Å; T320-E323 PolarHBondContact O-N 3.27Å; E323-A325 PolarHBondContact O-N 3.29Å; E323-A326 PolarHBondContact O-N 2.83Å; E323-L327 HydrophobicContact CB-CD1 4.49Å; E323-L327 VanDerWaalsContact O-CB 3.29Å; E323-L327 WeakPolarHBondContact O-CB 3.44Å; E323-L327 WeakPolarHBondContact O-CG 3.26Å; E323-L327 PolarHBondContact O-N 2.99Å; E323-R385 IonicContact OE1-CZ 2.87Å; E323-R385 IonicContact OE1-NH1 3.96Å; E323-R385 PolarHBondContact OE1-NH1 2.97Å; E323-R385 VanDerWaalsContact OE1-NH1 3.15Å; E323-R385 IonicContact OE1-NH2 3.72Å; E323-R385 PolarHBondContact OE1-NH2 3.37Å; E323-R385 IonicContact OE2-NH1 3.49Å; E323-R385 PolarHBondContact OE2-NH1 3.41Å; E323-R385 VanDerWaalsContact OE2-NH1 3.14Å; E323-R385 IonicContact OE2-NH2 2.79Å; E323-Y393 HydrophobicContact CG-CE1 4.06Å; E323-Y393 WeakPolarHBondContact OE1-CE1 3.04Å; E323-Y393 VanDerWaalsContact OE1-CZ 3.28Å; E323-Y393 PolarHBondContact OE1-OH 2.91Å
324	A	98.8	Very high	98.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.6	-46.8	178.5	0	0	0	0	0	112.3	F42 I278 T320 I321 L327 G328 A329 V332	F42-A324 HydrophobicContact CE2-CB 4.35Å; F42-A324 HydrophobicContact CZ-CB 4.32Å; I278-A324 HydrophobicContact CD1-CB 4.06Å; I278-A324 HydrophobicContact CG1-CB 4.32Å; T320-A324 PolarHBondContact O-N 3.1Å; I321-A324 PolarHBondContact O-N 2.69Å; A324-L327 PolarHBondContact O-N 3.43Å; A324-G328 PolarHBondContact O-N 3.08Å; A324-A329 HydrophobicContact CB-CB 4.25Å; A324-A329 VanDerWaalsContact O-CB 3.26Å; A324-A329 WeakPolarHBondContact O-CB 3.37Å; A324-A329 PolarHBondContact O-N 3.29Å; A324-A329 VanDerWaalsContact O-N 3.12Å; A324-V332 HydrophobicContact CB-CG1 3.88Å
325	A	98.7	Very high	98.4	Very high	4 Å²	4	8 Å²	8	3%	0.033	4%	0.036	C	C	.	.	H	α-helix	trans	-64.2	-45.5	178.6	0	0	0	0	0	112.2	F42 I321 E323 L327 G328 V365	F42-A325 HydrophobicContact CD1-CB 4.09Å; F42-A325 HydrophobicContact CD2-CB 3.79Å; F42-A325 HydrophobicContact CE1-CB 3.98Å; F42-A325 HydrophobicContact CE2-CB 3.68Å; F42-A325 HydrophobicContact CG-CB 3.98Å; F42-A325 HydrophobicContact CZ-CB 3.75Å; I321-A325 WeakPolarHBondContact O-CB 3.5Å; I321-A325 PolarHBondContact O-N 3.17Å; E323-A325 PolarHBondContact O-N 3.29Å; A325-L327 VanDerWaalsContact C-N 3.31Å; A325-L327 PolarHBondContact O-N 2.98Å; A325-G328 PolarHBondContact O-N 3.17Å; A325-V365 HydrophobicContact CB-CG1 3.84Å
326	A	98.6	Very high	98.1	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-68.3	-30.8	-178.3	0	0	0	0	0	112.6	G322 E323 G328 R385 Y393 F429	G322-A326 VanDerWaalsContact O-CB 3.31Å; G322-A326 WeakPolarHBondContact O-CB 3.36Å; G322-A326 PolarHBondContact O-N 3.26Å; E323-A326 PolarHBondContact O-N 2.83Å; A326-G328 VanDerWaalsContact C-N 3.32Å; A326-G328 PolarHBondContact O-N 3.19Å; A326-R385 VanDerWaalsContact O-CB 3.25Å; A326-R385 WeakPolarHBondContact O-CB 3.34Å; A326-R385 PolarHBondContact O-N 2.02Å; A326-Y393 HydrophobicContact CB-CD1 4.45Å; A326-F429 HydrophobicContact CB-CE1 4.3Å
327	L	98.5	Very high	97.4	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.2	-177	-63.9	175.3	0	0	0	114	R275 I278 E323 A324 A325 I384 W388	R275-L327 HydrophobicContact CB-CD1 4.32Å; R275-L327 HydrophobicContact CG-CD1 3.96Å; I278-L327 HydrophobicContact CB-CB 4.37Å; I278-L327 HydrophobicContact CB-CD1 3.95Å; I278-L327 HydrophobicContact CG2-CB 3.56Å; I278-L327 HydrophobicContact CG2-CD1 4.06Å; I278-L327 HydrophobicContact CG2-CG 4.49Å; E323-L327 HydrophobicContact CB-CD1 4.49Å; E323-L327 VanDerWaalsContact O-CB 3.29Å; E323-L327 WeakPolarHBondContact O-CB 3.44Å; E323-L327 WeakPolarHBondContact O-CG 3.26Å; E323-L327 PolarHBondContact O-N 2.99Å; A324-L327 PolarHBondContact O-N 3.43Å; A325-L327 VanDerWaalsContact C-N 3.31Å; A325-L327 PolarHBondContact O-N 2.98Å; L327-I384 WeakPolarHBondContact O-CD1 3.32Å; L327-W388 HydrophobicContact CD2-CB 4.08Å
328	G	96.9	Very high	96.9	Very high	3 Å²	3	9 Å²	9	3%	0.031	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	14	169.1	0	0	0	0	0	115.7	A324 A325 A326 R382	A324-G328 PolarHBondContact O-N 3.08Å; A325-G328 PolarHBondContact O-N 3.17Å; A326-G328 VanDerWaalsContact C-N 3.32Å; A326-G328 PolarHBondContact O-N 3.19Å; G328-R382 PolarHBondContact O-NE 2.83Å
329	A	98.6	Very high	96.3	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	6%	0.06	C	C	.	.			trans	-61.1	152.1	168.6	0	0	0	0	0	110.8	F42 V296 A324	F42-A329 WeakPolarHBondContact CD2-O 3.33Å; F42-A329 HydrophobicContact CE2-CB 4.29Å; V296-A329 HydrophobicContact CB-CB 4.38Å; V296-A329 HydrophobicContact CG1-CB 4.36Å; A324-A329 HydrophobicContact CB-CB 4.25Å; A324-A329 VanDerWaalsContact O-CB 3.26Å; A324-A329 WeakPolarHBondContact O-CB 3.37Å; A324-A329 PolarHBondContact O-N 3.29Å; A324-A329 VanDerWaalsContact O-N 3.12Å
330	A	98.6	Very high	95.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-80.4	-19.5	177.8	0	0	0	0	0	112.7	F42 L43 P295 V296 Y297	F42-A330 WeakPolarHBondContact CA-O 3.41Å; L43-A330 PolarHBondContact N-O 2.94Å; P295-A330 HydrophobicContact CB-CB 4.21Å; V296-A330 PolarHBondContact O-N 3.33Å; Y297-A330 HydrophobicContact CD1-CB 4Å; Y297-A330 HydrophobicContact CE1-CB 3.49Å; Y297-A330 VanDerWaalsContact CE1-CB 3.49Å; Y297-A330 HydrophobicContact CE2-CB 4.19Å
331	G	98.6	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-175.8	175.4	0	0	0	0	0	113.2	L43 Y297 A298	L43-G331 CarbonylContact O-C 3.58Å; L43-G331 WeakPolarHBondContact O-CA 3.43Å; Y297-G331 WeakPolarHBondContact CA-O 3.44Å; A298-G331 PolarHBondContact N-O 3.29Å
332	V	98.8	Very high	94.8	Very high	2 Å²	2	17 Å²	17	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.9	175.8	-74.7	0	0	0	0	111.2	F42 L43 F44 M45 A298 I300 I321 A324	F42-V332 HydrophobicContact CE1-CG2 3.95Å; F42-V332 HydrophobicContact CZ-CB 4.35Å; F42-V332 HydrophobicContact CZ-CG1 3.77Å; F42-V332 HydrophobicContact CZ-CG2 3.96Å; L43-V332 PolarHBondContact O-N 3.34Å; F44-V332 HydrophobicContact CD1-CG2 3.87Å; F44-V332 HydrophobicContact CE1-CG2 4.19Å; M45-V332 WeakPolarHBondContact CB-O 3.48Å; M45-V332 PolarHBondContact N-O 2.77Å; A298-V332 HydrophobicContact CB-CG1 4.37Å; A298-V332 CarbonylContact O-C 3.58Å; A298-V332 VanDerWaalsContact O-CA 3.23Å; A298-V332 WeakPolarHBondContact O-CA 3.34Å; I300-V332 HydrophobicContact CD1-CB 4.34Å; I300-V332 HydrophobicContact CD1-CG2 4.39Å; I300-V332 HydrophobicContact CG2-CB 4.47Å; I300-V332 HydrophobicContact CG2-CG1 4.25Å; I321-V332 HydrophobicContact CG1-CG2 4.17Å; A324-V332 HydrophobicContact CB-CG1 3.88Å
333	I	98.8	Very high	94.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.2	175.8	-55.2	162.7	0	0	0	107.3	M45 N47 L135 Y255 A298 Y299 I300 W335	M45-I333 HydrophobicContact CB-CG1 4.29Å; M45-I333 HydrophobicContact CE-CD1 4.29Å; M45-I333 HydrophobicContact CE-CG1 3.42Å; M45-I333 VanDerWaalsContact CE-CG1 3.42Å; M45-I333 HydrophobicContact SD-CG1 4.16Å; N47-I333 HydrophobicContact CB-CG2 3.84Å; L135-I333 HydrophobicContact CD1-CD1 3.75Å; L135-I333 HydrophobicContact CD1-CG1 4.22Å; Y255-I333 HydrophobicContact CD1-CD1 3.85Å; Y255-I333 HydrophobicContact CE1-CD1 3.98Å; A298-I333 PolarHBondContact O-N 3.04Å; Y299-I333 WeakPolarHBondContact CA-O 3.42Å; Y299-I333 HydrophobicContact CD1-CB 4.25Å; Y299-I333 HydrophobicContact CD1-CG2 4.16Å; Y299-I333 HydrophobicContact CD2-CB 4.29Å; Y299-I333 HydrophobicContact CD2-CD1 3.89Å; Y299-I333 HydrophobicContact CE1-CB 4.19Å; Y299-I333 HydrophobicContact CE1-CG2 3.7Å; Y299-I333 HydrophobicContact CE2-CB 4.24Å; Y299-I333 HydrophobicContact CE2-CD1 3.37Å; Y299-I333 HydrophobicContact CE2-CG1 4.39Å; Y299-I333 HydrophobicContact CE2-CG2 4.37Å; Y299-I333 HydrophobicContact CG-CB 4.3Å; I300-I333 PolarHBondContact N-O 2.92Å; I333-W335 PolarHBondContact O-N 3.22Å
334	S	97.9	Very high	94.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.9	173.3	-164.5	0	0	0	0	109.2	M45 N47 I300	M45-S334 PolarHBondContact O-N 2.92Å; N47-S334 PolarHBondContact N-O 3.46Å; I300-S334 WeakPolarHBondContact O-CA 3.32Å
335	W	97.3	Very high	94.3	Very high	38 Å²	38	28.6 Å²	28.6	14%	0.144	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.8	-178.9	-179.9	87.8	0	0	0	111.8	N47 Y85 Y259 Y299 I300 R301 P302 I333 D337	N47-W335 VanDerWaalsContact O-CA 3.32Å; N47-W335 WeakPolarHBondContact O-CA 3.19Å; Y85-W335 PolarHBondContact OH-NE1 3.35Å; Y259-W335 HydrophobicContact CE2-CE3 4.41Å; Y259-W335 WeakPolarHBondContact OH-CB 3.19Å; Y299-W335 HydrophobicContact CD1-CB 3.72Å; Y299-W335 HydrophobicContact CD1-CG 4.31Å; Y299-W335 HydrophobicContact CE1-CB 3.87Å; Y299-W335 HydrophobicContact CE1-CG 4.18Å; I300-W335 PolarHBondContact O-N 3.21Å; R301-W335 HydrophobicContact CG-CE3 3.99Å; P302-W335 WeakPolarHBondContact CD-O 3.42Å; I333-W335 PolarHBondContact O-N 3.22Å; W335-D337 HydrophobicContact CH2-CB 3.63Å; W335-D337 HydrophobicContact CZ2-CB 4.19Å; W335-D337 HydrophobicContact CZ3-CB 4.1Å
336	G	90.6	Very high	94.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.			trans	-139.8	137.5	174.7	0	0	0	0	0	111.6	N47 P49	N47-G336 PolarHBondContact O-N 3.13Å; N47-G336 VanDerWaalsContact O-N 3.13Å; P49-G336 WeakPolarHBondContact CD-O 3.44Å
337	D	84.7	Confident	94	Very high	34 Å²	34	28.9 Å²	28.9	18%	0.182	15%	0.152	C	C	.	.			trans	-80.5	-173.6	169.8	58.9	19.4	0	0	0	110.9	R301 W335 N339 V340	R301-D337 IonicContact CZ-OD2 3.23Å; R301-D337 IonicContact NH2-OD1 3.41Å; R301-D337 IonicContact NH2-OD2 2.78Å; R301-D337 PolarHBondContact NH2-OD2 3.24Å; W335-D337 HydrophobicContact CH2-CB 3.63Å; W335-D337 HydrophobicContact CZ2-CB 4.19Å; W335-D337 HydrophobicContact CZ3-CB 4.1Å; D337-N339 PolarHBondContact O-N 2.99Å; D337-N339 WeakPolarHBondContact OD1-CA 3.44Å; D337-N339 WeakPolarHBondContact OD1-CB 3.45Å; D337-N339 PolarHBondContact OD1-N 3.13Å; D337-N339 PolarHBondContact OD1-ND2 3.32Å; D337-N339 PolarHBondContact OD2-ND2 3.1Å; D337-V340 PolarHBondContact O-N 3.45Å
338	M	87.8	Confident	93.9	Very high	81 Å²	81	31.9 Å²	31.9	40%	0.399	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-62.6	-23.4	176.2	-69.7	-64.4	-60.6	0	0	113.3	P49 L52 L73 V340 T341 D342	P49-M338 HydrophobicContact CB-SD 4.23Å; P49-M338 HydrophobicContact CG-SD 3.81Å; L52-M338 HydrophobicContact CD1-CE 3.47Å; L52-M338 VanDerWaalsContact CD1-CE 3.47Å; L52-M338 HydrophobicContact CD1-SD 4.02Å; L73-M338 HydrophobicContact CD2-SD 4.1Å; M338-V340 VanDerWaalsContact C-N 3.25Å; M338-V340 PolarHBondContact O-N 3.31Å; M338-T341 CarbonylContact O-C 3.51Å; M338-T341 WeakPolarHBondContact O-CA 3.02Å; M338-T341 PolarHBondContact O-N 3.05Å; M338-T341 PolarHBondContact O-OG1 3.36Å; M338-D342 PolarHBondContact O-N 2.99Å; M338-D342 VanDerWaalsContact O-N 3.1Å
339	N	87.2	Confident	93.8	Very high	80 Å²	80	33.3 Å²	33.3	43%	0.428	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-63.9	-32.5	-175.8	-59.2	-39	0	0	0	111.8	D337 T341 D342	D337-N339 PolarHBondContact O-N 2.99Å; D337-N339 WeakPolarHBondContact OD1-CA 3.44Å; D337-N339 WeakPolarHBondContact OD1-CB 3.45Å; D337-N339 PolarHBondContact OD1-N 3.13Å; D337-N339 PolarHBondContact OD1-ND2 3.32Å; D337-N339 PolarHBondContact OD2-ND2 3.1Å; N339-T341 PolarHBondContact O-N 3.41Å; N339-D342 PolarHBondContact O-N 2.83Å
340	V	82.7	Confident	93.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-57.8	-21.6	174	-178.3	0	0	0	0	112	T50 D337 M338 A350	T50-V340 HydrophobicContact CG2-CG1 4.23Å; D337-V340 PolarHBondContact O-N 3.45Å; M338-V340 VanDerWaalsContact C-N 3.25Å; M338-V340 PolarHBondContact O-N 3.31Å; V340-A350 HydrophobicContact CG1-CB 4.25Å
341	T	89.9	Confident	93.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-125.8	13	-173.4	65.7	0	0	0	0	114	P49 T50 L52 M338 N339	P49-T341 HydrophobicContact CG-CG2 4.32Å; T50-T341 HydrophobicContact CG2-CG2 4.2Å; L52-T341 HydrophobicContact CB-CG2 4.35Å; M338-T341 CarbonylContact O-C 3.51Å; M338-T341 WeakPolarHBondContact O-CA 3.02Å; M338-T341 PolarHBondContact O-N 3.05Å; M338-T341 PolarHBondContact O-OG1 3.36Å; N339-T341 PolarHBondContact O-N 3.41Å
342	D	91.6	Very high	93.4	Very high	110 Å²	110	43.3 Å²	43.3	59%	0.588	21%	0.21	S	C	*	.	S	Bend	trans	-70.4	-35	-172	-171.5	42.3	0	0	0	112.3	M338 N339	M338-D342 PolarHBondContact O-N 2.99Å; M338-D342 VanDerWaalsContact O-N 3.1Å; N339-D342 PolarHBondContact O-N 2.83Å
343	S	94.4	Very high	93.3	Very high	40 Å²	40	43.8 Å²	43.8	28%	0.28	21%	0.213	S	C	.	.	S	Bend	trans	-135.8	163.5	-178.6	78.5	0	0	0	0	113.3	F57 D345 S346 C347	F57-S343 VanDerWaalsContact CE2-C 3.44Å; S343-D345 PolarHBondContact O-N 3.44Å; S343-D345 PolarHBondContact OG-N 3.29Å; S343-S346 PolarHBondContact O-N 3.31Å; S343-S346 PolarHBondContact OG-N 3.44Å; S343-S346 PolarHBondContact OG-OG 3.26Å; S343-C347 PolarHBondContact O-N 2.52Å; S343-C347 PolarHBondContact O-SG 3.24Å
344	E	95.8	Very high	93.2	Very high	100 Å²	100	43.8 Å²	43.8	47%	0.467	21%	0.213	S	C	.	.	H	α-helix	trans	-56.6	-37.5	171	-178.4	176	-157.9	0	0	111.3	F57 C347 F348	F57-E344 HydrophobicContact CB-CB 4.15Å; F57-E344 HydrophobicContact CB-CG 4.17Å; F57-E344 HydrophobicContact CD1-CB 3.73Å; F57-E344 HydrophobicContact CE1-CB 4.26Å; F57-E344 HydrophobicContact CG-CB 3.9Å; F57-E344 HydrophobicContact CG-CG 4.46Å; E344-C347 PolarHBondContact O-N 2.83Å; E344-F348 HydrophobicContact CG-CD2 3.69Å; E344-F348 HydrophobicContact CG-CE2 3.4Å; E344-F348 HydrophobicContact CG-CZ 4.41Å; E344-F348 WeakPolarHBondContact O-CD2 3.12Å; E344-F348 PolarHBondContact O-N 3.21Å; E344-F348 WeakPolarHBondContact OE1-CE2 3.28Å
345	D	95	Very high	93.1	Very high	104 Å²	104	47.1 Å²	47.1	56%	0.556	23%	0.228	S	C	*	.	H	α-helix	trans	-69.5	-42.4	178.6	-167.9	63.3	0	0	0	112.2	S343 C347 F348 T349	S343-D345 PolarHBondContact O-N 3.44Å; S343-D345 PolarHBondContact OG-N 3.29Å; D345-C347 VanDerWaalsContact C-N 3.3Å; D345-C347 PolarHBondContact O-N 3.11Å; D345-F348 PolarHBondContact O-N 3.37Å; D345-T349 WeakPolarHBondContact O-CB 3.01Å; D345-T349 PolarHBondContact O-N 3.45Å; D345-T349 PolarHBondContact O-OG1 2.8Å
346	S	93.9	Very high	93	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-45.1	173.8	-50.8	0	0	0	0	110.5	S343 T349 A350	S343-S346 PolarHBondContact O-N 3.31Å; S343-S346 PolarHBondContact OG-N 3.44Å; S343-S346 PolarHBondContact OG-OG 3.26Å; S346-T349 PolarHBondContact O-N 2.62Å; S346-A350 WeakPolarHBondContact O-CB 3.28Å; S346-A350 PolarHBondContact O-N 3.21Å
347	C	95.8	Very high	93.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-41.4	175.5	-71.8	0	0	0	0	113.2	C53 F57 V59 S343 E344 D345 T349 A350 R351	C53-C347 WeakPolarHBondContact CA-SG 3.27Å; C53-C347 HydrophobicContact CB-CB 3.67Å; C53-C347 WeakPolarHBondContact CB-SG 3.37Å; C53-C347 WeakPolarHBondContact SG-CB 3.4Å; C53-C347 CovalentContact SG-SG 2.04Å; C53-C347 PolarHBondContact SG-SG 3.07Å; F57-C347 HydrophobicContact CD2-CB 4.5Å; V59-C347 HydrophobicContact CB-CB 4.01Å; V59-C347 HydrophobicContact CG1-CB 4.04Å; V59-C347 HydrophobicContact CG2-CB 4.29Å; S343-C347 PolarHBondContact O-N 2.52Å; S343-C347 PolarHBondContact O-SG 3.24Å; E344-C347 PolarHBondContact O-N 2.83Å; D345-C347 VanDerWaalsContact C-N 3.3Å; D345-C347 PolarHBondContact O-N 3.11Å; C347-T349 VanDerWaalsContact C-N 3.32Å; C347-T349 PolarHBondContact O-N 3.43Å; C347-A350 PolarHBondContact O-N 2.82Å; C347-R351 WeakPolarHBondContact O-CB 3.49Å; C347-R351 PolarHBondContact O-N 2.64Å
348	F	96.3	Very high	94	Very high	63 Å²	63	53.2 Å²	53.2	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-35.2	174.9	-83.4	-54.4	0	0	0	112.7	V59 E344 D345 R352	V59-F348 HydrophobicContact CG1-CD1 4.15Å; V59-F348 HydrophobicContact CG1-CE1 4.35Å; V59-F348 HydrophobicContact CG2-CD1 4.11Å; V59-F348 HydrophobicContact CG2-CD2 4.4Å; V59-F348 HydrophobicContact CG2-CE1 3.78Å; V59-F348 HydrophobicContact CG2-CE2 4.12Å; V59-F348 HydrophobicContact CG2-CG 4.4Å; V59-F348 HydrophobicContact CG2-CZ 3.79Å; E344-F348 HydrophobicContact CG-CD2 3.69Å; E344-F348 HydrophobicContact CG-CE2 3.4Å; E344-F348 HydrophobicContact CG-CZ 4.41Å; E344-F348 WeakPolarHBondContact O-CD2 3.12Å; E344-F348 PolarHBondContact O-N 3.21Å; E344-F348 WeakPolarHBondContact OE1-CE2 3.28Å; D345-F348 PolarHBondContact O-N 3.37Å; F348-R352 VanDerWaalsContact O-CB 3.27Å; F348-R352 WeakPolarHBondContact O-CB 3.26Å; F348-R352 PolarHBondContact O-N 2.98Å
349	T	95.4	Very high	94.4	Very high	33 Å²	33	49.4 Å²	49.4	20%	0.202	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-46.2	176.3	-64.2	0	0	0	0	110.4	Y311 D345 S346 C347 R351 R352 H353	Y311-T349 HydrophobicContact CD2-CG2 3.67Å; Y311-T349 HydrophobicContact CE2-CG2 3.55Å; D345-T349 WeakPolarHBondContact O-CB 3.01Å; D345-T349 PolarHBondContact O-N 3.45Å; D345-T349 PolarHBondContact O-OG1 2.8Å; S346-T349 PolarHBondContact O-N 2.62Å; C347-T349 VanDerWaalsContact C-N 3.32Å; C347-T349 PolarHBondContact O-N 3.43Å; T349-R351 PolarHBondContact O-N 2.89Å; T349-R352 PolarHBondContact O-N 3.39Å; T349-H353 PolarHBondContact O-N 3.43Å
350	A	95.5	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55	-50.8	172.4	0	0	0	0	0	111.6	L61 Y311 V340 S346 C347 R352 H353 L354	L61-A350 HydrophobicContact CD1-CB 4.19Å; L61-A350 HydrophobicContact CD2-CB 4.36Å; Y311-A350 HydrophobicContact CE1-CB 4.46Å; Y311-A350 VanDerWaalsContact OH-CA 3.32Å; Y311-A350 WeakPolarHBondContact OH-CA 3.27Å; Y311-A350 WeakPolarHBondContact OH-CB 3.35Å; V340-A350 HydrophobicContact CG1-CB 4.25Å; S346-A350 WeakPolarHBondContact O-CB 3.28Å; S346-A350 PolarHBondContact O-N 3.21Å; C347-A350 PolarHBondContact O-N 2.82Å; A350-R352 VanDerWaalsContact C-N 3.32Å; A350-R352 PolarHBondContact O-N 2.83Å; A350-H353 PolarHBondContact O-N 3.44Å; A350-L354 WeakPolarHBondContact O-CB 3.44Å; A350-L354 WeakPolarHBondContact O-CG 3.12Å; A350-L354 PolarHBondContact O-N 3.05Å
351	R	96.4	Very high	95.7	Very high	81 Å²	81	47 Å²	47	31%	0.306	23%	0.226	S	C	.	.	H	α-helix	trans	-57.2	-46.3	178	-169.5	178	68.4	-177.3	2.4	111.7	V59 V60 L61 C347 T349 L354 E355	V59-R351 HydrophobicContact CG1-CB 4.28Å; V60-R351 WeakPolarHBondContact O-CD 3.38Å; L61-R351 HydrophobicContact CD2-CB 3.52Å; L61-R351 HydrophobicContact CD2-CG 4.13Å; C347-R351 WeakPolarHBondContact O-CB 3.49Å; C347-R351 PolarHBondContact O-N 2.64Å; T349-R351 PolarHBondContact O-N 2.89Å; R351-L354 PolarHBondContact O-N 2.92Å; R351-E355 HydrophobicContact CG-CG 4.41Å; R351-E355 WeakPolarHBondContact CG-OE1 3.25Å; R351-E355 WeakPolarHBondContact O-CB 3.31Å; R351-E355 VanDerWaalsContact O-CG 3.27Å; R351-E355 WeakPolarHBondContact O-CG 3.28Å; R351-E355 PolarHBondContact O-N 2.73Å
352	R	96.3	Very high	96.1	Very high	130 Å²	130	47 Å²	47	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-42	-178.4	-174	-171.8	-49.4	-179.9	9.9	111.5	F348 T349 A350 K356	F348-R352 VanDerWaalsContact O-CB 3.27Å; F348-R352 WeakPolarHBondContact O-CB 3.26Å; F348-R352 PolarHBondContact O-N 2.98Å; T349-R352 PolarHBondContact O-N 3.39Å; A350-R352 VanDerWaalsContact C-N 3.32Å; A350-R352 PolarHBondContact O-N 2.83Å; R352-K356 HydrophobicContact CG-CD 3.9Å; R352-K356 HydrophobicContact CG-CG 4.45Å; R352-K356 VanDerWaalsContact O-CB 3.25Å; R352-K356 WeakPolarHBondContact O-CB 3.37Å; R352-K356 WeakPolarHBondContact O-CG 3.07Å; R352-K356 PolarHBondContact O-N 2.95Å
353	H	96.9	Very high	96.4	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.056	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-48.4	177.3	179.5	-91.5	0	0	0	111.6	Y311 M312 T349 A350 E355 K356 I357 M358	Y311-H353 WeakPolarHBondContact CB-CD2 3.41Å; Y311-H353 HydrophobicContact CD1-CB 3.53Å; Y311-H353 AromaticContact CD1-CD2 3.76Å; Y311-H353 AromaticContact CD1-CE1 3.97Å; Y311-H353 AromaticContact CD1-CG 3.31Å; Y311-H353 AromaticContact CD1-ND1 3.52Å; Y311-H353 HydrophobicContact CE1-CB 4.02Å; Y311-H353 HydrophobicContact CG-CB 3.92Å; Y311-H353 AromaticContact CG-CD2 3.88Å; Y311-H353 AromaticContact CG-CG 3.8Å; M312-H353 PolarHBondContact O-NE2 3.32Å; T349-H353 PolarHBondContact O-N 3.43Å; A350-H353 PolarHBondContact O-N 3.44Å; H353-E355 VanDerWaalsContact C-N 3.34Å; H353-E355 PolarHBondContact O-N 2.72Å; H353-K356 PolarHBondContact O-N 2.93Å; H353-I357 WeakPolarHBondContact O-CA 3.22Å; H353-I357 PolarHBondContact O-N 2.9Å; H353-M358 PolarHBondContact O-N 3.02Å
354	L	96.7	Very high	96.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	19%	0.191	C	C	.	.	I	π-helix	trans	-53.8	-51.5	174.7	-76.5	170.3	0	0	0	111.1	W46 L61 L63 F66 A350 R351 M358 N359	W46-L354 HydrophobicContact CZ3-CD2 4.1Å; L61-L354 HydrophobicContact CB-CD1 3.91Å; L61-L354 HydrophobicContact CD1-CD1 4.04Å; L61-L354 HydrophobicContact CG-CD1 4.39Å; L63-L354 HydrophobicContact CD2-CD1 3.74Å; L63-L354 HydrophobicContact CD2-CD2 4.17Å; F66-L354 HydrophobicContact CE2-CD2 3.86Å; F66-L354 HydrophobicContact CZ-CD2 4.04Å; A350-L354 WeakPolarHBondContact O-CB 3.44Å; A350-L354 WeakPolarHBondContact O-CG 3.12Å; A350-L354 PolarHBondContact O-N 3.05Å; R351-L354 PolarHBondContact O-N 2.92Å; L354-M358 HydrophobicContact CD2-CB 4.25Å; L354-M358 HydrophobicContact CD2-CG 4.48Å; L354-M358 HydrophobicContact CD2-SD 3.85Å; L354-N359 WeakPolarHBondContact O-CB 3.38Å; L354-N359 PolarHBondContact O-N 3.04Å; L354-N359 PolarHBondContact O-ND2 3.4Å
355	E	95.4	Very high	96.7	Very high	71 Å²	71	36.4 Å²	36.4	33%	0.332	17%	0.169	S	C	.	.	I	π-helix	trans	-65.4	-45.6	-177.9	-74	174.6	177.4	0	0	112.4	R351 H353 P360 R405	R351-E355 HydrophobicContact CG-CG 4.41Å; R351-E355 WeakPolarHBondContact CG-OE1 3.25Å; R351-E355 WeakPolarHBondContact O-CB 3.31Å; R351-E355 VanDerWaalsContact O-CG 3.27Å; R351-E355 WeakPolarHBondContact O-CG 3.28Å; R351-E355 PolarHBondContact O-N 2.73Å; H353-E355 VanDerWaalsContact C-N 3.34Å; H353-E355 PolarHBondContact O-N 2.72Å; E355-P360 WeakPolarHBondContact O-CD 3.34Å; E355-R405 PolarHBondContact O-NH2 3.47Å
356	K	95.6	Very high	96.8	Very high	147 Å²	147	31.8 Å²	31.8	64%	0.639	15%	0.145	S	C	*	.	I	π-helix	trans	-89.2	-28.8	-168.7	-66.6	-172.9	-179.8	-176.6	0	114.4	R352 H353	R352-K356 HydrophobicContact CG-CD 3.9Å; R352-K356 HydrophobicContact CG-CG 4.45Å; R352-K356 VanDerWaalsContact O-CB 3.25Å; R352-K356 WeakPolarHBondContact O-CB 3.37Å; R352-K356 WeakPolarHBondContact O-CG 3.07Å; R352-K356 PolarHBondContact O-N 2.95Å; H353-K356 PolarHBondContact O-N 2.93Å
357	I	97.2	Very high	97	Very high	51 Å²	51	31.3 Å²	31.3	26%	0.262	14%	0.141	S	C	.	.	I	π-helix	trans	-124.4	-62.2	-169	-56.1	-176.6	0	0	0	110.1	E314 L317 H353 P360 Y361	E314-I357 HydrophobicContact CB-CG2 4.14Å; L317-I357 HydrophobicContact CD1-CG2 3.83Å; H353-I357 WeakPolarHBondContact O-CA 3.22Å; H353-I357 PolarHBondContact O-N 2.9Å; I357-P360 WeakPolarHBondContact O-CD 3.44Å; I357-Y361 WeakPolarHBondContact O-CB 3.4Å; I357-Y361 PolarHBondContact O-N 3.22Å; I357-Y361 VanDerWaalsContact O-N 3.17Å
358	M	97.4	Very high	97.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	14%	0.141	C	C	.	.	I	π-helix	trans	-69.1	-49.8	-168	-160.8	173.4	-176.2	0	0	113	W46 F66 I300 L317 I321 H353 L354 Y361 I362	W46-M358 HydrophobicContact CZ3-CE 4.48Å; W46-M358 HydrophobicContact CZ3-SD 4.24Å; F66-M358 HydrophobicContact CE1-CE 3.76Å; F66-M358 HydrophobicContact CZ-CE 3.63Å; F66-M358 HydrophobicContact CZ-CG 4.46Å; F66-M358 HydrophobicContact CZ-SD 3.84Å; I300-M358 HydrophobicContact CD1-CE 4.26Å; L317-M358 HydrophobicContact CD1-CB 4.31Å; L317-M358 HydrophobicContact CD1-CG 4.24Å; I321-M358 HydrophobicContact CD1-CE 4.45Å; H353-M358 PolarHBondContact O-N 3.02Å; L354-M358 HydrophobicContact CD2-CB 4.25Å; L354-M358 HydrophobicContact CD2-CG 4.48Å; L354-M358 HydrophobicContact CD2-SD 3.85Å; M358-Y361 PolarHBondContact O-N 2.98Å; M358-Y361 VanDerWaalsContact O-N 3.13Å; M358-I362 HydrophobicContact CE-CD1 4.33Å; M358-I362 HydrophobicContact CG-CD1 3.89Å; M358-I362 HydrophobicContact CG-CG1 4.27Å; M358-I362 VanDerWaalsContact O-CG1 3.29Å; M358-I362 WeakPolarHBondContact O-CG1 3.33Å; M358-I362 PolarHBondContact O-N 3.43Å
359	N	97.6	Very high	97.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-43.8	-178.1	-71.1	-17.9	0	0	0	113.4	N62 L354 Y361 I362 L363 L411	N62-N359 PolarHBondContact O-ND2 3.17Å; L354-N359 WeakPolarHBondContact O-CB 3.38Å; L354-N359 PolarHBondContact O-N 3.04Å; L354-N359 PolarHBondContact O-ND2 3.4Å; N359-Y361 VanDerWaalsContact C-N 3.3Å; N359-Y361 PolarHBondContact O-N 3.06Å; N359-I362 PolarHBondContact O-N 2.94Å; N359-L363 WeakPolarHBondContact O-CB 3.25Å; N359-L363 PolarHBondContact O-N 3.45Å; N359-L411 HydrophobicContact CB-CD1 3.88Å
360	P	97.6	Very high	97.3	Very high	29 Å²	29	28.3 Å²	28.3	19%	0.188	13%	0.125	C	C	.	.	H	α-helix	trans	-57	-42.5	170.4	-26.1	34.7	0	0	0	113.1	E355 I357 L363 N364 I403 L411	E355-P360 WeakPolarHBondContact O-CD 3.34Å; I357-P360 WeakPolarHBondContact O-CD 3.44Å; P360-L363 PolarHBondContact O-N 3.19Å; P360-N364 PolarHBondContact O-N 3.4Å; P360-I403 WeakPolarHBondContact O-CD1 3.28Å; P360-L411 HydrophobicContact CB-CD1 4.41Å; P360-L411 HydrophobicContact CG-CD1 3.89Å
361	Y	98.3	Very high	97.3	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-69.4	-41.6	-179.5	-173.7	-101.7	0	0	0	112.8	E314 L317 V318 I321 G322 I357 M358 N359 L363 N364 V365 H395	E314-Y361 HydrophobicContact CG-CD2 3.97Å; L317-Y361 HydrophobicContact CB-CD1 3.68Å; L317-Y361 HydrophobicContact CB-CE1 3.76Å; L317-Y361 HydrophobicContact CB-CG 4.18Å; L317-Y361 HydrophobicContact CD1-CD1 3.94Å; L317-Y361 HydrophobicContact CD1-CG 4.13Å; L317-Y361 HydrophobicContact CG-CD1 4.44Å; V318-Y361 VanDerWaalsContact CA-OH 3.27Å; V318-Y361 WeakPolarHBondContact CA-OH 3.15Å; V318-Y361 HydrophobicContact CG2-CE2 3.53Å; I321-Y361 HydrophobicContact CB-CE1 3.86Å; I321-Y361 HydrophobicContact CD1-CD1 4.37Å; I321-Y361 HydrophobicContact CD1-CE1 4.39Å; I321-Y361 HydrophobicContact CG2-CD1 4.45Å; I321-Y361 HydrophobicContact CG2-CE1 3.75Å; G322-Y361 WeakPolarHBondContact CA-OH 3.28Å; G322-Y361 PolarHBondContact N-OH 3.42Å; I357-Y361 WeakPolarHBondContact O-CB 3.4Å; I357-Y361 PolarHBondContact O-N 3.22Å; I357-Y361 VanDerWaalsContact O-N 3.17Å; M358-Y361 PolarHBondContact O-N 2.98Å; M358-Y361 VanDerWaalsContact O-N 3.13Å; N359-Y361 VanDerWaalsContact C-N 3.3Å; N359-Y361 PolarHBondContact O-N 3.06Å; Y361-L363 VanDerWaalsContact C-N 3.32Å; Y361-L363 PolarHBondContact O-N 3.43Å; Y361-N364 VanDerWaalsContact O-CB 3.26Å; Y361-N364 WeakPolarHBondContact O-CB 3.5Å; Y361-N364 PolarHBondContact O-N 2.6Å; Y361-N364 VanDerWaalsContact O-N 3.15Å; Y361-V365 HydrophobicContact CD1-CG2 4.29Å; Y361-V365 HydrophobicContact CE1-CG2 3.68Å; Y361-V365 HydrophobicContact CE2-CG2 4.14Å; Y361-V365 PolarHBondContact O-N 2.93Å; Y361-H395 AromaticContact CE2-NE2 3.65Å; Y361-H395 AromaticContact CZ-NE2 3.61Å; Y361-H395 PolarHBondContact OH-NE2 3.34Å
362	I	98.3	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-46.9	172.4	-69.9	174.5	0	0	0	110.3	F44 H65 F66 M358 N359 N364 V365 S366	F44-I362 HydrophobicContact CB-CD1 4.43Å; F44-I362 HydrophobicContact CB-CG2 4.09Å; F44-I362 HydrophobicContact CD1-CB 4.2Å; F44-I362 HydrophobicContact CD1-CD1 4.06Å; F44-I362 HydrophobicContact CD1-CG1 3.56Å; F44-I362 HydrophobicContact CD1-CG2 3.9Å; F44-I362 HydrophobicContact CD2-CG2 3.65Å; F44-I362 HydrophobicContact CE1-CB 4.25Å; F44-I362 HydrophobicContact CE1-CG1 3.79Å; F44-I362 HydrophobicContact CE1-CG2 4.19Å; F44-I362 HydrophobicContact CE2-CG2 4.02Å; F44-I362 HydrophobicContact CG-CB 4.39Å; F44-I362 HydrophobicContact CG-CD1 4.41Å; F44-I362 HydrophobicContact CG-CG1 4.11Å; F44-I362 HydrophobicContact CG-CG2 3.58Å; F44-I362 HydrophobicContact CZ-CG2 4.28Å; H65-I362 HydrophobicContact CB-CB 4.4Å; H65-I362 HydrophobicContact CB-CG2 3.91Å; H65-I362 WeakPolarHBondContact O-CG2 3.27Å; F66-I362 HydrophobicContact CD1-CD1 4.18Å; F66-I362 HydrophobicContact CD2-CD1 4.35Å; F66-I362 HydrophobicContact CE1-CD1 3.61Å; F66-I362 HydrophobicContact CE2-CD1 3.79Å; F66-I362 HydrophobicContact CZ-CD1 3.39Å; M358-I362 HydrophobicContact CE-CD1 4.33Å; M358-I362 HydrophobicContact CG-CD1 3.89Å; M358-I362 HydrophobicContact CG-CG1 4.27Å; M358-I362 VanDerWaalsContact O-CG1 3.29Å; M358-I362 WeakPolarHBondContact O-CG1 3.33Å; M358-I362 PolarHBondContact O-N 3.43Å; N359-I362 PolarHBondContact O-N 2.94Å; I362-N364 VanDerWaalsContact C-N 3.26Å; I362-N364 PolarHBondContact O-N 2.87Å; I362-V365 PolarHBondContact O-N 2.68Å; I362-S366 VanDerWaalsContact O-CB 3.26Å; I362-S366 WeakPolarHBondContact O-CB 3.39Å; I362-S366 PolarHBondContact O-N 2.81Å; I362-S366 PolarHBondContact O-OG 3.49Å
363	L	97.9	Very high	97.4	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-36.3	178.9	-177	61.1	0	0	0	111.9	N359 P360 Y361 S366 T367 I403 L411 V413	N359-L363 WeakPolarHBondContact O-CB 3.25Å; N359-L363 PolarHBondContact O-N 3.45Å; P360-L363 PolarHBondContact O-N 3.19Å; Y361-L363 VanDerWaalsContact C-N 3.32Å; Y361-L363 PolarHBondContact O-N 3.43Å; L363-S366 WeakPolarHBondContact CA-OG 3.32Å; L363-S366 PolarHBondContact O-OG 2.88Å; L363-T367 VanDerWaalsContact O-CB 3.28Å; L363-T367 WeakPolarHBondContact O-CB 3.25Å; L363-T367 PolarHBondContact O-N 3.39Å; L363-T367 PolarHBondContact O-OG1 3.46Å; L363-I403 HydrophobicContact CD2-CG2 4.01Å; L363-L411 HydrophobicContact CD2-CB 3.62Å; L363-V413 HydrophobicContact CD1-CG2 3.98Å; L363-V413 HydrophobicContact CD2-CG2 3.92Å; L363-V413 HydrophobicContact CG-CG2 3.69Å
364	N	98.4	Very high	97.3	Very high	24 Å²	24	21 Å²	21	13%	0.128	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-59.6	174.3	-171.5	-17.7	0	0	0	111	P360 Y361 I362 T367 A368 H395 L396 I403	P360-N364 PolarHBondContact O-N 3.4Å; Y361-N364 VanDerWaalsContact O-CB 3.26Å; Y361-N364 WeakPolarHBondContact O-CB 3.5Å; Y361-N364 PolarHBondContact O-N 2.6Å; Y361-N364 VanDerWaalsContact O-N 3.15Å; I362-N364 VanDerWaalsContact C-N 3.26Å; I362-N364 PolarHBondContact O-N 2.87Å; N364-T367 PolarHBondContact O-N 3.03Å; N364-A368 WeakPolarHBondContact O-CB 3.32Å; N364-A368 PolarHBondContact O-N 3.47Å; N364-H395 WeakPolarHBondContact OD1-CA 3.49Å; N364-L396 PolarHBondContact OD1-N 3Å; N364-I403 HydrophobicContact CB-CD1 3.72Å
365	V	98.5	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.8	-43.1	-174.7	177.6	0	0	0	0	112.3	F42 F44 I321 A325 Y361 I362 T367 A368 S369	F42-V365 HydrophobicContact CD1-CG1 4.3Å; F42-V365 HydrophobicContact CE1-CG1 4.46Å; F44-V365 HydrophobicContact CE2-CB 4.46Å; F44-V365 HydrophobicContact CE2-CG1 4.38Å; F44-V365 HydrophobicContact CZ-CB 3.75Å; F44-V365 HydrophobicContact CZ-CG1 3.72Å; I321-V365 HydrophobicContact CG2-CG2 4.46Å; A325-V365 HydrophobicContact CB-CG1 3.84Å; Y361-V365 HydrophobicContact CD1-CG2 4.29Å; Y361-V365 HydrophobicContact CE1-CG2 3.68Å; Y361-V365 HydrophobicContact CE2-CG2 4.14Å; Y361-V365 PolarHBondContact O-N 2.93Å; I362-V365 PolarHBondContact O-N 2.68Å; V365-T367 VanDerWaalsContact C-N 3.34Å; V365-T367 PolarHBondContact O-N 3.5Å; V365-A368 PolarHBondContact O-N 2.85Å; V365-S369 VanDerWaalsContact O-CB 3.32Å; V365-S369 WeakPolarHBondContact O-CB 3.47Å; V365-S369 PolarHBondContact O-N 2.73Å; V365-S369 PolarHBondContact O-OG 3.31Å
366	S	98.1	Very high	97.2	Very high	7 Å²	7	18 Å²	18	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-62.2	-40	178.7	56	0	0	0	0	112.2	I362 L363 S369 R370	I362-S366 VanDerWaalsContact O-CB 3.26Å; I362-S366 WeakPolarHBondContact O-CB 3.39Å; I362-S366 PolarHBondContact O-N 2.81Å; I362-S366 PolarHBondContact O-OG 3.49Å; L363-S366 WeakPolarHBondContact CA-OG 3.32Å; L363-S366 PolarHBondContact O-OG 2.88Å; S366-S369 WeakPolarHBondContact CA-OG 3.33Å; S366-S369 PolarHBondContact O-OG 3.02Å; S366-R370 PolarHBondContact O-N 2.91Å
367	T	97.6	Very high	97.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-70.6	-45.8	177.8	-51.5	0	0	0	0	110.7	L363 N364 V365 S369 R370 L371 L396 V413 F451 Q453	L363-T367 VanDerWaalsContact O-CB 3.28Å; L363-T367 WeakPolarHBondContact O-CB 3.25Å; L363-T367 PolarHBondContact O-N 3.39Å; L363-T367 PolarHBondContact O-OG1 3.46Å; N364-T367 PolarHBondContact O-N 3.03Å; V365-T367 VanDerWaalsContact C-N 3.34Å; V365-T367 PolarHBondContact O-N 3.5Å; T367-S369 PolarHBondContact O-N 3.43Å; T367-R370 PolarHBondContact O-N 3.16Å; T367-L371 HydrophobicContact CG2-CD1 4Å; T367-L371 HydrophobicContact CG2-CG 4.29Å; T367-L371 WeakPolarHBondContact O-CB 3.31Å; T367-L371 VanDerWaalsContact O-CG 3.25Å; T367-L371 WeakPolarHBondContact O-CG 3.21Å; T367-L371 PolarHBondContact O-N 3.14Å; T367-L396 HydrophobicContact CG2-CD1 4.27Å; T367-L396 HydrophobicContact CG2-CD2 3.92Å; T367-V413 HydrophobicContact CG2-CG1 4.41Å; T367-V413 HydrophobicContact CG2-CG2 4.24Å; T367-F451 HydrophobicContact CG2-CD1 4.45Å; T367-F451 HydrophobicContact CG2-CE1 3.91Å; T367-Q453 PolarHBondContact OG1-OE1 2.95Å
368	A	98.1	Very high	97	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-40.9	-179.7	0	0	0	0	0	112.9	N364 V365 L371 C372 L394 L396	N364-A368 WeakPolarHBondContact O-CB 3.32Å; N364-A368 PolarHBondContact O-N 3.47Å; V365-A368 PolarHBondContact O-N 2.85Å; A368-L371 PolarHBondContact O-N 3.45Å; A368-C372 WeakPolarHBondContact O-CB 3.29Å; A368-C372 PolarHBondContact O-N 2.79Å; A368-L394 VanDerWaalsContact CB-C 3.46Å; A368-L394 HydrophobicContact CB-CB 4.43Å; A368-L394 WeakPolarHBondContact CB-O 3.24Å; A368-L396 HydrophobicContact CB-CD2 4.02Å; A368-L396 HydrophobicContact CB-CG 4.28Å
369	S	98.1	Very high	96.9	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.028	10%	0.096	C	C	.	.	H	α-helix	trans	-64.5	-41.9	176.7	55.1	0	0	0	0	112.6	V365 S366 T367 C372 S373	V365-S369 VanDerWaalsContact O-CB 3.32Å; V365-S369 WeakPolarHBondContact O-CB 3.47Å; V365-S369 PolarHBondContact O-N 2.73Å; V365-S369 PolarHBondContact O-OG 3.31Å; S366-S369 WeakPolarHBondContact CA-OG 3.33Å; S366-S369 PolarHBondContact O-OG 3.02Å; T367-S369 PolarHBondContact O-N 3.43Å; S369-C372 PolarHBondContact O-N 2.95Å; S369-S373 WeakPolarHBondContact O-CB 3.38Å; S369-S373 PolarHBondContact O-N 2.76Å
370	R	97.3	Very high	96.8	Very high	30 Å²	30	21.4 Å²	21.4	11%	0.113	11%	0.11	C	C	.	.	H	α-helix	trans	-66.1	-45.8	174.6	-169.4	175.8	51.7	63.1	28.2	112.2	S366 T367 C372 S373 E374 F451	S366-R370 PolarHBondContact O-N 2.91Å; T367-R370 PolarHBondContact O-N 3.16Å; R370-C372 VanDerWaalsContact C-N 3.3Å; R370-C372 PolarHBondContact O-N 2.87Å; R370-S373 WeakPolarHBondContact O-CB 3.09Å; R370-S373 PolarHBondContact O-N 3.31Å; R370-E374 HydrophobicContact CG-CG 4.48Å; R370-E374 WeakPolarHBondContact CG-OE1 3.36Å; R370-E374 IonicContact CZ-OE1 3.55Å; R370-E374 IonicContact NH1-OE1 3.45Å; R370-E374 PolarHBondContact NH1-OE1 3.38Å; R370-E374 IonicContact NH1-OE2 2.76Å; R370-E374 WeakPolarHBondContact O-CG 3.5Å; R370-E374 PolarHBondContact O-N 3.02Å; R370-F451 VanDerWaalsContact NH2-CE2 3.31Å
371	L	96.5	Very high	96.8	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-43	174.8	-76.8	-179.7	0	0	0	111.8	T367 A368 A375 L396 F401 M417 F425 F451	T367-L371 HydrophobicContact CG2-CD1 4Å; T367-L371 HydrophobicContact CG2-CG 4.29Å; T367-L371 WeakPolarHBondContact O-CB 3.31Å; T367-L371 VanDerWaalsContact O-CG 3.25Å; T367-L371 WeakPolarHBondContact O-CG 3.21Å; T367-L371 PolarHBondContact O-N 3.14Å; A368-L371 PolarHBondContact O-N 3.45Å; L371-A375 WeakPolarHBondContact O-CB 3.39Å; L371-A375 PolarHBondContact O-N 3.13Å; L371-L396 HydrophobicContact CD1-CD2 3.88Å; L371-F401 HydrophobicContact CD1-CE1 4.01Å; L371-F401 HydrophobicContact CD1-CE2 4.47Å; L371-F401 HydrophobicContact CD1-CZ 3.75Å; L371-M417 HydrophobicContact CB-CE 3.39Å; L371-M417 HydrophobicContact CD1-CE 4.32Å; L371-M417 HydrophobicContact CD2-CE 3.58Å; L371-M417 HydrophobicContact CG-CE 3.91Å; L371-M417 VanDerWaalsContact O-CE 3.28Å; L371-M417 WeakPolarHBondContact O-CE 3.45Å; L371-F425 HydrophobicContact CB-CE2 4.42Å; L371-F451 HydrophobicContact CD2-CD1 4.16Å; L371-F451 HydrophobicContact CD2-CG 4.2Å
372	C	97.4	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.9	-43.8	176.2	-170.5	0	0	0	0	112.1	A368 S369 R370 E374 A375 L376 C383 L394 F425	A368-C372 WeakPolarHBondContact O-CB 3.29Å; A368-C372 PolarHBondContact O-N 2.79Å; S369-C372 PolarHBondContact O-N 2.95Å; R370-C372 VanDerWaalsContact C-N 3.3Å; R370-C372 PolarHBondContact O-N 2.87Å; C372-E374 PolarHBondContact O-N 3.18Å; C372-A375 PolarHBondContact O-N 3.22Å; C372-L376 WeakPolarHBondContact O-CB 3.27Å; C372-L376 PolarHBondContact O-N 3.15Å; C372-C383 HydrophobicContact CB-CB 3.9Å; C372-C383 WeakPolarHBondContact CB-SG 3.22Å; C372-C383 PolarHBondContact O-SG 2.87Å; C372-C383 VanDerWaalsContact O-SG 3.35Å; C372-C383 WeakPolarHBondContact SG-CB 3.45Å; C372-C383 CovalentContact SG-SG 2.02Å; C372-C383 PolarHBondContact SG-SG 2.96Å; C372-L394 HydrophobicContact CB-CD2 3.8Å; C372-F425 HydrophobicContact CB-CD1 3.94Å; C372-F425 HydrophobicContact CB-CD2 4.15Å; C372-F425 HydrophobicContact CB-CE1 3.93Å; C372-F425 HydrophobicContact CB-CE2 4.12Å; C372-F425 HydrophobicContact CB-CG 4.09Å; C372-F425 HydrophobicContact CB-CZ 4.02Å
373	S	97.2	Very high	96.7	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-45	176.8	177.5	0	0	0	0	112.4	P41 S369 R370 C377 R378 A379 G381	P41-S373 VanDerWaalsContact CG-CB 3.42Å; S369-S373 WeakPolarHBondContact O-CB 3.38Å; S369-S373 PolarHBondContact O-N 2.76Å; R370-S373 WeakPolarHBondContact O-CB 3.09Å; R370-S373 PolarHBondContact O-N 3.31Å; S373-C377 CarbonylContact O-C 3.51Å; S373-C377 WeakPolarHBondContact O-CA 3.46Å; S373-C377 WeakPolarHBondContact O-CB 3.22Å; S373-C377 PolarHBondContact O-N 2.98Å; S373-R378 PolarHBondContact O-N 3.15Å; S373-A379 PolarHBondContact O-N 3.13Å; S373-G381 WeakPolarHBondContact CB-O 3.48Å; S373-G381 PolarHBondContact OG-O 3.49Å
374	E	95.1	Very high	96.7	Very high	60 Å²	60	21.3 Å²	21.3	28%	0.28	11%	0.108	S	C	.	.	H	α-helix	trans	-64.1	-44.2	175.6	-72	170.4	-172.8	0	0	111.3	R370 C372 A379 F448	R370-E374 HydrophobicContact CG-CG 4.48Å; R370-E374 WeakPolarHBondContact CG-OE1 3.36Å; R370-E374 IonicContact CZ-OE1 3.55Å; R370-E374 IonicContact NH1-OE1 3.45Å; R370-E374 PolarHBondContact NH1-OE1 3.38Å; R370-E374 IonicContact NH1-OE2 2.76Å; R370-E374 WeakPolarHBondContact O-CG 3.5Å; R370-E374 PolarHBondContact O-N 3.02Å; C372-E374 PolarHBondContact O-N 3.18Å; E374-A379 HydrophobicContact CG-CB 4.31Å; E374-F448 HydrophobicContact CB-CE1 4.31Å
375	A	93.8	Very high	96.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-72.3	-45.7	-175.5	0	0	0	0	0	114.2	L371 C372 M417 I422 S441 F448	L371-A375 WeakPolarHBondContact O-CB 3.39Å; L371-A375 PolarHBondContact O-N 3.13Å; C372-A375 PolarHBondContact O-N 3.22Å; A375-M417 HydrophobicContact CB-CE 3.95Å; A375-M417 HydrophobicContact CB-SD 3.97Å; A375-I422 HydrophobicContact CB-CG1 4.4Å; A375-S441 PolarHBondContact O-OG 3.21Å; A375-F448 HydrophobicContact CB-CE2 4.32Å; A375-F448 HydrophobicContact CB-CZ 4.01Å
376	L	94.6	Very high	96.5	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-103.9	-31.6	-173.1	-62.3	-167.3	0	0	0	113.7	C372 F425 A426 F429 C431 Q440 S441	C372-L376 WeakPolarHBondContact O-CB 3.27Å; C372-L376 PolarHBondContact O-N 3.15Å; L376-F425 HydrophobicContact CD1-CB 3.61Å; L376-F425 HydrophobicContact CD2-CB 4.29Å; L376-F425 HydrophobicContact CG-CB 3.93Å; L376-A426 HydrophobicContact CD2-CB 3.87Å; L376-F429 HydrophobicContact CD1-CB 4.19Å; L376-C431 PolarHBondContact O-SG 2.67Å; L376-Q440 CarbonylContact O-C 3.51Å; L376-Q440 WeakPolarHBondContact O-CA 3.22Å; L376-S441 WeakPolarHBondContact CA-OG 3.32Å; L376-S441 PolarHBondContact O-N 2.53Å; L376-S441 PolarHBondContact O-OG 3.22Å
377	C	95.4	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-116.2	15.1	-166.6	-48	0	0	0	0	113	S373 A379 N380 G381 C431 C439	S373-C377 CarbonylContact O-C 3.51Å; S373-C377 WeakPolarHBondContact O-CA 3.46Å; S373-C377 WeakPolarHBondContact O-CB 3.22Å; S373-C377 PolarHBondContact O-N 2.98Å; C377-A379 PolarHBondContact O-N 3.06Å; C377-A379 VanDerWaalsContact O-N 3.09Å; C377-N380 CarbonylContact O-C 3.04Å; C377-N380 PolarHBondContact O-N 3.17Å; C377-G381 WeakPolarHBondContact CB-O 3.39Å; C377-C431 WeakPolarHBondContact CA-SG 3.31Å; C377-C431 HydrophobicContact CB-CB 3.82Å; C377-C431 WeakPolarHBondContact CB-SG 3.12Å; C377-C431 VanDerWaalsContact SG-CA 3.55Å; C377-C431 WeakPolarHBondContact SG-CB 3.45Å; C377-C431 CovalentContact SG-SG 2.04Å; C377-C431 PolarHBondContact SG-SG 3.32Å; C377-C439 CarbonylContact C-O 3.54Å; C377-C439 VanDerWaalsContact CA-O 3.25Å; C377-C439 WeakPolarHBondContact CA-O 3.5Å; C377-C439 WeakPolarHBondContact O-CB 3.17Å
378	R	93.8	Very high	96.3	Very high	152 Å²	152	33.6 Å²	33.6	57%	0.574	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	31.3	178.8	-57.5	173.6	-165.6	-176.5	4.2	113.7	S373 N380 C439 Q440	S373-R378 PolarHBondContact O-N 3.15Å; R378-N380 PolarHBondContact O-N 3.16Å; R378-C439 WeakPolarHBondContact CD-O 3.3Å; R378-C439 VanDerWaalsContact CG-O 3.26Å; R378-C439 WeakPolarHBondContact CG-O 3.45Å; R378-C439 PolarHBondContact N-O 2.92Å; R378-Q440 PolarHBondContact NE-O 2.87Å; R378-Q440 PolarHBondContact NH2-O 2.91Å
379	A	94.9	Very high	96.2	Very high	64 Å²	64	37.9 Å²	37.9	53%	0.529	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	19.3	-171.7	0	0	0	0	0	114.4	S373 E374 C377	S373-A379 PolarHBondContact O-N 3.13Å; E374-A379 HydrophobicContact CG-CB 4.31Å; C377-A379 PolarHBondContact O-N 3.06Å; C377-A379 VanDerWaalsContact O-N 3.09Å
380	N	95.9	Very high	96.1	Very high	57 Å²	57	43.7 Å²	43.7	31%	0.305	20%	0.201	S	C	.	.	S	Bend	trans	-123	29.9	-179.5	-166.8	36.6	0	0	0	111.7	C377 R378 Y434 S435 C439	C377-N380 CarbonylContact O-C 3.04Å; C377-N380 PolarHBondContact O-N 3.17Å; R378-N380 PolarHBondContact O-N 3.16Å; N380-Y434 VanDerWaalsContact C-CD2 3.42Å; N380-Y434 PolarHBondContact O-N 3.16Å; N380-S435 PolarHBondContact ND2-OG 3.05Å; N380-C439 HydrophobicContact CB-CB 4.16Å; N380-C439 VanDerWaalsContact O-CB 3.31Å; N380-C439 WeakPolarHBondContact O-CB 3.17Å
381	G	96.8	Very high	96.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	164.6	175.8	0	0	0	0	0	111.3	S373 C377 L432	S373-G381 WeakPolarHBondContact CB-O 3.48Å; S373-G381 PolarHBondContact OG-O 3.49Å; C377-G381 WeakPolarHBondContact CB-O 3.39Å; G381-L432 CarbonylContact C-O 3.58Å; G381-L432 WeakPolarHBondContact CA-O 3.39Å
382	R	97.4	Very high	96.2	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.7	172	57.1	-179.5	139.2	-102.5	-7.8	110.7	T32 D33 P41 G328 L432 Y434	T32-R382 PolarHBondContact OG1-NH2 3.09Å; D33-R382 PolarHBondContact O-NH2 2.79Å; P41-R382 HydrophobicContact CB-CB 3.95Å; P41-R382 PolarHBondContact O-NH1 2.94Å; G328-R382 PolarHBondContact O-NE 2.83Å; R382-L432 HydrophobicContact CG-CB 4.03Å; R382-L432 HydrophobicContact CG-CD2 4.17Å; R382-L432 PolarHBondContact N-O 3.42Å; R382-L432 PolarHBondContact O-N 3.49Å; R382-Y434 HydrophobicContact CG-CE1 4.29Å
383	C	97.8	Very high	96.2	Very high	4 Å²	4	48 Å²	48	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.7	174.1	-71.9	0	0	0	0	111.1	C372 L394 F429 D430	C372-C383 HydrophobicContact CB-CB 3.9Å; C372-C383 WeakPolarHBondContact CB-SG 3.22Å; C372-C383 PolarHBondContact O-SG 2.87Å; C372-C383 VanDerWaalsContact O-SG 3.35Å; C372-C383 WeakPolarHBondContact SG-CB 3.45Å; C372-C383 CovalentContact SG-SG 2.02Å; C372-C383 PolarHBondContact SG-SG 2.96Å; C383-L394 HydrophobicContact CB-CD1 4.29Å; C383-L394 HydrophobicContact CB-CD2 4.01Å; C383-F429 HydrophobicContact CB-CB 4.01Å; C383-F429 HydrophobicContact CB-CD1 4.08Å; C383-F429 HydrophobicContact CB-CG 4.23Å; C383-D430 CarbonylContact C-O 3.48Å; C383-D430 VanDerWaalsContact CA-O 3.31Å; C383-D430 WeakPolarHBondContact CA-O 3.45Å
384	I	97.6	Very high	96.2	Very high	22 Å²	22	48 Å²	48	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.5	175.6	-176.7	171.4	0	0	0	109.6	L29 L327 K386 F429 D430 L432	L29-I384 HydrophobicContact CD1-CG2 3.59Å; L327-I384 WeakPolarHBondContact O-CD1 3.32Å; I384-K386 PolarHBondContact O-N 3.07Å; I384-F429 CarbonylContact O-C 3.59Å; I384-F429 VanDerWaalsContact O-CA 3.24Å; I384-F429 WeakPolarHBondContact O-CA 3.25Å; I384-D430 HydrophobicContact CG2-CB 4.32Å; I384-D430 PolarHBondContact N-O 3.14Å; I384-D430 PolarHBondContact O-N 3.49Å; I384-L432 HydrophobicContact CG2-CB 4.25Å
385	R	97.6	Very high	96.4	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.038	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	127.7	-178.3	-170.9	-171.2	-69.4	159.9	-9.1	109.8	E323 A326 H387 W388 R390 D392 F429	E323-R385 IonicContact OE1-CZ 2.87Å; E323-R385 IonicContact OE1-NH1 3.96Å; E323-R385 PolarHBondContact OE1-NH1 2.97Å; E323-R385 VanDerWaalsContact OE1-NH1 3.15Å; E323-R385 IonicContact OE1-NH2 3.72Å; E323-R385 PolarHBondContact OE1-NH2 3.37Å; E323-R385 IonicContact OE2-NH1 3.49Å; E323-R385 PolarHBondContact OE2-NH1 3.41Å; E323-R385 VanDerWaalsContact OE2-NH1 3.14Å; E323-R385 IonicContact OE2-NH2 2.79Å; A326-R385 VanDerWaalsContact O-CB 3.25Å; A326-R385 WeakPolarHBondContact O-CB 3.34Å; A326-R385 PolarHBondContact O-N 2.02Å; R385-H387 WeakPolarHBondContact CD-O 3.04Å; R385-H387 VanDerWaalsContact CG-O 3.25Å; R385-H387 WeakPolarHBondContact CG-O 3.38Å; R385-H387 PolarHBondContact O-N 2.91Å; R385-W388 PolarHBondContact NH1-O 2.04Å; R385-W388 VanDerWaalsContact NH1-O 3.14Å; R385-R390 VanDerWaalsContact CD-O 3.25Å; R385-R390 WeakPolarHBondContact CD-O 3.46Å; R385-R390 PolarHBondContact NE-O 3.38Å; R385-R390 VanDerWaalsContact NE-O 3.13Å; R385-R390 PolarHBondContact NH1-O 2.88Å; R385-D392 HydrophobicContact CG-CB 4.3Å; R385-D392 VanDerWaalsContact CZ-O 3.27Å; R385-D392 PolarHBondContact NE-O 3.35Å; R385-D392 PolarHBondContact NH2-O 2.85Å; R385-F429 HydrophobicContact CB-CD1 4.43Å; R385-F429 HydrophobicContact CB-CE1 4.16Å
386	K	96	Very high	96.5	Very high	80 Å²	80	48 Å²	48	35%	0.348	23%	0.225	S	C	.	.	S	Bend	trans	-62.4	-41.8	179.8	-70	-172	178.8	-178.7	0	113.1	I384 A426 R428 F429 D430	I384-K386 PolarHBondContact O-N 3.07Å; K386-A426 WeakPolarHBondContact CE-O 3.28Å; K386-A426 PolarHBondContact NZ-O 2.82Å; K386-R428 WeakPolarHBondContact CG-O 3.09Å; K386-R428 PolarHBondContact N-O 3.33Å; K386-F429 WeakPolarHBondContact CE-O 3.42Å; K386-D430 WeakPolarHBondContact CE-OD1 3.16Å; K386-D430 HydrophobicContact CG-CB 4.31Å; K386-D430 WeakPolarHBondContact CG-OD2 3.11Å; K386-D430 IonicContact NZ-OD1 3.01Å
387	H	96.8	Very high	96.5	Very high	85 Å²	85	49.3 Å²	49.3	39%	0.394	23%	0.232	S	C	.	.	S	Bend	trans	-115.5	99.9	180	-62.5	-67.5	0	0	0	108	R385 D389 R390	R385-H387 WeakPolarHBondContact CD-O 3.04Å; R385-H387 VanDerWaalsContact CG-O 3.25Å; R385-H387 WeakPolarHBondContact CG-O 3.38Å; R385-H387 PolarHBondContact O-N 2.91Å; H387-D389 PolarHBondContact O-N 2.94Å; H387-R390 HydrophobicContact CB-CB 4.26Å; H387-R390 HydrophobicContact CB-CG 3.71Å; H387-R390 VanDerWaalsContact CD2-CZ 3.48Å; H387-R390 PolarHBondContact O-N 2.89Å
388	W	95.3	Very high	96.5	Very high	114 Å²	114	54 Å²	54	43%	0.432	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.2	-172.9	65.6	-95.4	0	0	0	113.4	R275 H276 Q279 L327 R385	R275-W388 WeakPolarHBondContact CD-O 3.06Å; R275-W388 HydrophobicContact CG-CE3 4.17Å; R275-W388 HydrophobicContact CG-CZ3 4.38Å; R275-W388 PolarHBondContact NE-O 3.18Å; H276-W388 AromaticContact NE2-CH2 3.86Å; H276-W388 AromaticContact NE2-CZ3 3.7Å; Q279-W388 HydrophobicContact CG-CB 4.5Å; Q279-W388 HydrophobicContact CG-CD2 4.49Å; Q279-W388 HydrophobicContact CG-CE3 4.11Å; L327-W388 HydrophobicContact CD2-CB 4.08Å; R385-W388 PolarHBondContact NH1-O 2.04Å; R385-W388 VanDerWaalsContact NH1-O 3.14Å
389	D	95.3	Very high	96.4	Very high	90 Å²	90	57 Å²	57	48%	0.481	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.8	-177.4	65.8	-33.2	0	0	0	114.8	R275 H387	R275-D389 PolarHBondContact NH1-O 3.29Å; H387-D389 PolarHBondContact O-N 2.94Å
390	R	96.7	Very high	96.2	Very high	125 Å²	125	56.4 Å²	56.4	47%	0.472	27%	0.265	S	S	.	.	S	Bend	trans	-84.1	160	174.2	-69.9	-170	179.3	175.3	2	112.8	R275 R385 H387 D392	R275-R390 PolarHBondContact NH2-O 3.49Å; R385-R390 VanDerWaalsContact CD-O 3.25Å; R385-R390 WeakPolarHBondContact CD-O 3.46Å; R385-R390 PolarHBondContact NE-O 3.38Å; R385-R390 VanDerWaalsContact NE-O 3.13Å; R385-R390 PolarHBondContact NH1-O 2.88Å; H387-R390 HydrophobicContact CB-CB 4.26Å; H387-R390 HydrophobicContact CB-CG 3.71Å; H387-R390 VanDerWaalsContact CD2-CZ 3.48Å; H387-R390 PolarHBondContact O-N 2.89Å; R390-D392 VanDerWaalsContact C-N 3.3Å; R390-D392 WeakPolarHBondContact CB-OD2 3.01Å; R390-D392 WeakPolarHBondContact CD-OD2 3.46Å; R390-D392 PolarHBondContact O-N 2.82Å
391	D	96.7	Very high	96.2	Very high	76 Å²	76	54.1 Å²	54.1	41%	0.406	25%	0.253	S	S	.	.			trans	-94.5	42.4	177.7	-63.3	-34.2	0	0	0	112.7	R271 R275 Y393	R271-D391 VanDerWaalsContact CD-OD1 3.3Å; R271-D391 WeakPolarHBondContact CD-OD1 3.43Å; R271-D391 IonicContact CZ-OD1 3.55Å; R271-D391 IonicContact CZ-OD2 2.86Å; R271-D391 IonicContact NE-OD1 3.34Å; R271-D391 IonicContact NH1-OD1 3.68Å; R271-D391 PolarHBondContact NH1-OD1 3.47Å; R271-D391 IonicContact NH1-OD2 3.67Å; R271-D391 PolarHBondContact NH1-OD2 3.19Å; R275-D391 IonicContact CZ-OD1 2.77Å; R275-D391 IonicContact NH1-OD1 3.97Å; R275-D391 IonicContact NH2-OD1 2.95Å; R275-D391 PolarHBondContact NH2-OD1 2.94Å; D391-Y393 HydrophobicContact CB-CE2 4.03Å; D391-Y393 VanDerWaalsContact O-CD2 3.24Å; D391-Y393 WeakPolarHBondContact O-CD2 3.33Å; D391-Y393 WeakPolarHBondContact O-CE2 2.96Å
392	D	97.6	Very high	96.1	Very high	24 Å²	24	59.1 Å²	59.1	13%	0.128	28%	0.276	C	S	.	.			trans	-90.2	120.5	177.1	-63.7	-59.6	0	0	0	109.6	R385 R390 R428 F429	R385-D392 HydrophobicContact CG-CB 4.3Å; R385-D392 VanDerWaalsContact CZ-O 3.27Å; R385-D392 PolarHBondContact NE-O 3.35Å; R385-D392 PolarHBondContact NH2-O 2.85Å; R390-D392 VanDerWaalsContact C-N 3.3Å; R390-D392 WeakPolarHBondContact CB-OD2 3.01Å; R390-D392 WeakPolarHBondContact CD-OD2 3.46Å; R390-D392 PolarHBondContact O-N 2.82Å; D392-R428 HydrophobicContact CB-CB 4.13Å; D392-R428 HydrophobicContact CB-CG 4.2Å; D392-R428 WeakPolarHBondContact OD1-CD 3.18Å; D392-R428 IonicContact OD1-NE 3.93Å; D392-R428 PolarHBondContact OD1-NE 2.87Å; D392-F429 HydrophobicContact CB-CE2 4.39Å; D392-F429 HydrophobicContact CB-CZ 4.28Å
393	Y	98	Very high	95.9	Very high	24 Å²	24	61.6 Å²	61.6	9%	0.094	29%	0.289	C	S	.	.			trans	-119.5	150.3	-175	-62.7	-81.8	0	0	0	112.6	R271 V318 E323 A326 D391 H395 W424	R271-Y393 WeakPolarHBondContact CD-OH 3.31Å; R271-Y393 PolarHBondContact NE-OH 2.04Å; V318-Y393 HydrophobicContact CG1-CD1 4.31Å; V318-Y393 HydrophobicContact CG1-CD2 4.37Å; V318-Y393 HydrophobicContact CG1-CE1 3.9Å; V318-Y393 HydrophobicContact CG1-CE2 3.99Å; E323-Y393 HydrophobicContact CG-CE1 4.06Å; E323-Y393 WeakPolarHBondContact OE1-CE1 3.04Å; E323-Y393 VanDerWaalsContact OE1-CZ 3.28Å; E323-Y393 PolarHBondContact OE1-OH 2.91Å; A326-Y393 HydrophobicContact CB-CD1 4.45Å; D391-Y393 HydrophobicContact CB-CE2 4.03Å; D391-Y393 VanDerWaalsContact O-CD2 3.24Å; D391-Y393 WeakPolarHBondContact O-CD2 3.33Å; D391-Y393 WeakPolarHBondContact O-CE2 2.96Å; Y393-H395 WeakPolarHBondContact CB-CE1 3.38Å; Y393-H395 WeakPolarHBondContact CB-ND1 3.42Å; Y393-H395 AromaticContact CG-CE1 3.75Å; Y393-H395 PolarHBondContact O-N 3.25Å; Y393-W424 WeakPolarHBondContact O-CH2 3.24Å
394	L	98.1	Very high	95.7	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	30%	0.304	C	S	.	.			trans	-77	76.4	171	-66.5	170.6	0	0	0	109.7	A368 C372 C383 F425 F429	A368-L394 VanDerWaalsContact CB-C 3.46Å; A368-L394 HydrophobicContact CB-CB 4.43Å; A368-L394 WeakPolarHBondContact CB-O 3.24Å; C372-L394 HydrophobicContact CB-CD2 3.8Å; C383-L394 HydrophobicContact CB-CD1 4.29Å; C383-L394 HydrophobicContact CB-CD2 4.01Å; L394-F425 HydrophobicContact CD2-CD1 4.45Å; L394-F425 HydrophobicContact CD2-CE1 4.25Å; L394-F429 HydrophobicContact CD1-CE1 4.43Å; L394-F429 HydrophobicContact CD2-CD1 3.96Å; L394-F429 HydrophobicContact CD2-CD2 4.3Å; L394-F429 HydrophobicContact CD2-CE1 3.73Å; L394-F429 HydrophobicContact CD2-CE2 4.09Å; L394-F429 HydrophobicContact CD2-CG 4.27Å; L394-F429 HydrophobicContact CD2-CZ 3.8Å; L394-F429 HydrophobicContact CG-CD1 4.33Å; L394-F429 HydrophobicContact CG-CE1 3.73Å; L394-F429 HydrophobicContact CG-CZ 3.94Å
395	H	97.9	Very high	95.3	Very high	48 Å²	48	69.7 Å²	69.7	22%	0.222	32%	0.32	C	S	.	.			trans	-121.3	149.6	175.3	-62.4	151.5	0	0	0	111.2	Y361 N364 Y393	Y361-H395 AromaticContact CE2-NE2 3.65Å; Y361-H395 AromaticContact CZ-NE2 3.61Å; Y361-H395 PolarHBondContact OH-NE2 3.34Å; N364-H395 WeakPolarHBondContact OD1-CA 3.49Å; Y393-H395 WeakPolarHBondContact CB-CE1 3.38Å; Y393-H395 WeakPolarHBondContact CB-ND1 3.42Å; Y393-H395 AromaticContact CG-CE1 3.75Å; Y393-H395 PolarHBondContact O-N 3.25Å
396	L	96.8	Very high	94.7	Very high	15 Å²	15	75.2 Å²	75.2	8%	0.079	34%	0.341	C	S	.	.			trans	-67.5	132.5	171.1	-63.4	178.5	0	0	0	109.9	N364 T367 A368 L371 P398 F401 I403 V413	N364-L396 PolarHBondContact OD1-N 3Å; T367-L396 HydrophobicContact CG2-CD1 4.27Å; T367-L396 HydrophobicContact CG2-CD2 3.92Å; A368-L396 HydrophobicContact CB-CD2 4.02Å; A368-L396 HydrophobicContact CB-CG 4.28Å; L371-L396 HydrophobicContact CD1-CD2 3.88Å; L396-P398 WeakPolarHBondContact O-CD 3.21Å; L396-F401 HydrophobicContact CB-CB 3.92Å; L396-F401 HydrophobicContact CB-CD2 4.27Å; L396-F401 HydrophobicContact CB-CG 4.21Å; L396-F401 HydrophobicContact CD1-CB 4.15Å; L396-F401 HydrophobicContact CD1-CG 4.43Å; L396-F401 HydrophobicContact CD2-CD1 4.27Å; L396-F401 HydrophobicContact CD2-CD2 4.12Å; L396-F401 HydrophobicContact CD2-CE2 4.4Å; L396-F401 HydrophobicContact CD2-CG 4.05Å; L396-F401 HydrophobicContact CG-CB 4.45Å; L396-F401 HydrophobicContact CG-CG 4.47Å; L396-I403 HydrophobicContact CD1-CG1 4.45Å; L396-V413 HydrophobicContact CD1-CB 4.47Å; L396-V413 HydrophobicContact CD1-CG1 3.73Å; L396-V413 HydrophobicContact CD1-CG2 3.82Å
397	N	94.8	Very high	93.9	Very high	35 Å²	35	82 Å²	82	19%	0.187	37%	0.371	C	S	.	.			trans	-65.3	117.5	173.1	176.1	1.5	0	0	0	110	Y399 T400 F401 E421	N397-Y399 PolarHBondContact O-N 2.02Å; N397-Y399 VanDerWaalsContact O-N 3.13Å; N397-Y399 WeakPolarHBondContact OD1-CB 3.25Å; N397-Y399 VanDerWaalsContact OD1-CD2 3.24Å; N397-Y399 WeakPolarHBondContact OD1-CD2 3.38Å; N397-Y399 PolarHBondContact OD1-N 2.88Å; N397-T400 WeakPolarHBondContact CB-OG1 2.93Å; N397-T400 PolarHBondContact ND2-OG1 2.78Å; N397-T400 PolarHBondContact O-N 2.8Å; N397-T400 VanDerWaalsContact O-N 3.14Å; N397-T400 PolarHBondContact O-OG1 3.37Å; N397-F401 PolarHBondContact O-N 2.91Å; N397-E421 PolarHBondContact ND2-OE1 3Å
398	P	94.1	Very high	92.8	Very high	99 Å²	99	83 Å²	83	64%	0.643	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.5	-175.9	28.7	-36.3	0	0	0	113.7	L396	L396-P398 WeakPolarHBondContact O-CD 3.21Å
399	Y	91.6	Very high	91.9	Very high	215 Å²	215	78.9 Å²	78.9	84%	0.843	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.9	175.7	-60.9	-69.2	0	0	0	112.8	N397	N397-Y399 PolarHBondContact O-N 2.02Å; N397-Y399 VanDerWaalsContact O-N 3.13Å; N397-Y399 WeakPolarHBondContact OD1-CB 3.25Å; N397-Y399 VanDerWaalsContact OD1-CD2 3.24Å; N397-Y399 WeakPolarHBondContact OD1-CD2 3.38Å; N397-Y399 PolarHBondContact OD1-N 2.88Å
400	T	91.9	Very high	91.5	Very high	50 Å²	50	78.2 Å²	78.2	31%	0.307	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-25.6	-177	51.8	0	0	0	0	113.2	N397 G415 E421	N397-T400 WeakPolarHBondContact CB-OG1 2.93Å; N397-T400 PolarHBondContact ND2-OG1 2.78Å; N397-T400 PolarHBondContact O-N 2.8Å; N397-T400 VanDerWaalsContact O-N 3.14Å; N397-T400 PolarHBondContact O-OG1 3.37Å; T400-G415 VanDerWaalsContact O-CA 3.24Å; T400-G415 WeakPolarHBondContact O-CA 3.26Å; T400-E421 WeakPolarHBondContact CB-OE1 3.24Å; T400-E421 WeakPolarHBondContact CG2-OE1 3.25Å; T400-E421 PolarHBondContact OG1-OE1 3.02Å
401	F	94.9	Very high	91.3	Very high	10 Å²	10	72.5 Å²	72.5	4%	0.044	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145	176.4	-63.8	-86.2	0	0	0	112.1	L371 L396 N397 V413 K414 E421	L371-F401 HydrophobicContact CD1-CE1 4.01Å; L371-F401 HydrophobicContact CD1-CE2 4.47Å; L371-F401 HydrophobicContact CD1-CZ 3.75Å; L396-F401 HydrophobicContact CB-CB 3.92Å; L396-F401 HydrophobicContact CB-CD2 4.27Å; L396-F401 HydrophobicContact CB-CG 4.21Å; L396-F401 HydrophobicContact CD1-CB 4.15Å; L396-F401 HydrophobicContact CD1-CG 4.43Å; L396-F401 HydrophobicContact CD2-CD1 4.27Å; L396-F401 HydrophobicContact CD2-CD2 4.12Å; L396-F401 HydrophobicContact CD2-CE2 4.4Å; L396-F401 HydrophobicContact CD2-CG 4.05Å; L396-F401 HydrophobicContact CG-CB 4.45Å; L396-F401 HydrophobicContact CG-CG 4.47Å; N397-F401 PolarHBondContact O-N 2.91Å; F401-V413 HydrophobicContact CB-CG1 4.27Å; F401-V413 HydrophobicContact CD1-CG1 3.64Å; F401-V413 HydrophobicContact CE1-CG1 4.49Å; F401-V413 HydrophobicContact CG-CG1 4.37Å; F401-K414 CarbonylContact C-O 2.97Å; F401-K414 WeakPolarHBondContact CA-O 3.41Å; F401-E421 HydrophobicContact CE2-CG 4.13Å
402	Q	94.8	Very high	91.1	Very high	104 Å²	104	69.1 Å²	69.1	49%	0.486	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.9	175.7	-65.6	179.1	0.3	0	0	109.4	K404 K414	Q402-K404 HydrophobicContact CB-CG 4.4Å; Q402-K414 PolarHBondContact N-O 2.76Å; Q402-K414 PolarHBondContact O-N 3.49Å
403	I	94.3	Very high	91	Very high	60 Å²	60	68.1 Å²	68.1	31%	0.308	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.5	168.3	-63.3	174.6	0	0	0	108	P360 L363 N364 L396 L411 A412 V413	P360-I403 WeakPolarHBondContact O-CD1 3.28Å; L363-I403 HydrophobicContact CD2-CG2 4.01Å; N364-I403 HydrophobicContact CB-CD1 3.72Å; L396-I403 HydrophobicContact CD1-CG1 4.45Å; I403-L411 HydrophobicContact CG2-CD2 4.08Å; I403-A412 WeakPolarHBondContact CA-O 3.47Å; I403-V413 HydrophobicContact CG1-CG2 4.26Å
404	K	92.3	Very high	90.8	Very high	77 Å²	77	73.1 Å²	73.1	34%	0.335	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.2	-179.1	-62.8	-167.4	-178.6	-168.1	0	110.7	Q402 L411 A412	Q402-K404 HydrophobicContact CB-CG 4.4Å; K404-L411 CarbonylContact O-C 3.57Å; K404-L411 WeakPolarHBondContact O-CA 3.46Å; K404-A412 PolarHBondContact N-O 3.03Å; K404-A412 PolarHBondContact O-N 3.03Å
405	R	89.9	Confident	90.4	Very high	119 Å²	119	73.7 Å²	73.7	45%	0.449	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120	166.1	-169	177.2	-59.7	-83.5	0.3	109.5	E355 G409 N410 L411	E355-R405 PolarHBondContact O-NH2 3.47Å; R405-G409 PolarHBondContact NH1-O 3.14Å; R405-G409 VanDerWaalsContact NH1-O 3.08Å; R405-N410 WeakPolarHBondContact CA-O 3.47Å; R405-L411 HydrophobicContact CB-CD2 3.94Å; R405-L411 HydrophobicContact CG-CD2 4.31Å
406	Y	85.4	Confident	89.8	Confident	125 Å²	125	76.4 Å²	76.4	49%	0.49	37%	0.371	S	S	.	.			trans	-80	164.8	173.5	-68.6	-69.6	0	0	0	111.4	T408 G409 N410 A412	Y406-T408 PolarHBondContact O-N 2.77Å; Y406-T408 VanDerWaalsContact O-N 3.08Å; Y406-G409 PolarHBondContact O-N 3.13Å; Y406-N410 PolarHBondContact N-O 2.93Å; Y406-A412 HydrophobicContact CD2-CB 4.21Å; Y406-A412 HydrophobicContact CE2-CB 3.48Å; Y406-A412 VanDerWaalsContact CE2-CB 3.48Å
407	K	78.1	Confident	89.3	Confident	223 Å²	223	76.8 Å²	76.8	97%	0.97	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.3	178.2	-67.8	-173.6	178.1	-177.7	0	113.4	G409	K407-G409 PolarHBondContact O-N 3.29Å
408	T	74.9	Confident	88.9	Confident	105 Å²	105	77.6 Å²	77.6	64%	0.644	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-4.7	175.3	57.9	0	0	0	0	113.4	Y406 N410	Y406-T408 PolarHBondContact O-N 2.77Å; Y406-T408 VanDerWaalsContact O-N 3.08Å; T408-N410 VanDerWaalsContact C-N 3.27Å; T408-N410 PolarHBondContact O-N 3.33Å; T408-N410 PolarHBondContact OG1-ND2 2.89Å
409	G	76.9	Confident	88.6	Confident	29 Å²	29	76 Å²	76	30%	0.299	37%	0.365	S	S	.	.	S	Bend	trans	90.3	-18.2	-174.1	0	0	0	0	0	113.8	R405 Y406 K407	R405-G409 PolarHBondContact NH1-O 3.14Å; R405-G409 VanDerWaalsContact NH1-O 3.08Å; Y406-G409 PolarHBondContact O-N 3.13Å; K407-G409 PolarHBondContact O-N 3.29Å
410	N	86	Confident	88.6	Confident	75 Å²	75	72.4 Å²	72.4	40%	0.401	35%	0.351	S	S	.	.			trans	-66.4	137.1	-177.4	-62.6	-14.2	0	0	0	111.9	R405 Y406 T408	R405-N410 WeakPolarHBondContact CA-O 3.47Å; Y406-N410 PolarHBondContact N-O 2.93Å; T408-N410 VanDerWaalsContact C-N 3.27Å; T408-N410 PolarHBondContact O-N 3.33Å; T408-N410 PolarHBondContact OG1-ND2 2.89Å
411	L	92.8	Very high	88.5	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	144.8	170.3	-67	169.5	0	0	0	110.3	N359 P360 L363 I403 K404 R405	N359-L411 HydrophobicContact CB-CD1 3.88Å; P360-L411 HydrophobicContact CB-CD1 4.41Å; P360-L411 HydrophobicContact CG-CD1 3.89Å; L363-L411 HydrophobicContact CD2-CB 3.62Å; I403-L411 HydrophobicContact CG2-CD2 4.08Å; K404-L411 CarbonylContact O-C 3.57Å; K404-L411 WeakPolarHBondContact O-CA 3.46Å; R405-L411 HydrophobicContact CB-CD2 3.94Å; R405-L411 HydrophobicContact CG-CD2 4.31Å
412	A	92.7	Very high	88.4	Confident	5 Å²	5	70.5 Å²	70.5	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.5	170.9	0	0	0	0	0	111.1	I403 K404 Y406	I403-A412 WeakPolarHBondContact CA-O 3.47Å; K404-A412 PolarHBondContact N-O 3.03Å; K404-A412 PolarHBondContact O-N 3.03Å; Y406-A412 HydrophobicContact CD2-CB 4.21Å; Y406-A412 HydrophobicContact CE2-CB 3.48Å; Y406-A412 VanDerWaalsContact CE2-CB 3.48Å
413	V	94.6	Very high	88.3	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.5	173.6	-179.4	0	0	0	0	109.1	L363 T367 L396 F401 I403	L363-V413 HydrophobicContact CD1-CG2 3.98Å; L363-V413 HydrophobicContact CD2-CG2 3.92Å; L363-V413 HydrophobicContact CG-CG2 3.69Å; T367-V413 HydrophobicContact CG2-CG1 4.41Å; T367-V413 HydrophobicContact CG2-CG2 4.24Å; L396-V413 HydrophobicContact CD1-CB 4.47Å; L396-V413 HydrophobicContact CD1-CG1 3.73Å; L396-V413 HydrophobicContact CD1-CG2 3.82Å; F401-V413 HydrophobicContact CB-CG1 4.27Å; F401-V413 HydrophobicContact CD1-CG1 3.64Å; F401-V413 HydrophobicContact CE1-CG1 4.49Å; F401-V413 HydrophobicContact CG-CG1 4.37Å; I403-V413 HydrophobicContact CG1-CG2 4.26Å
414	K	93.5	Very high	88.3	Confident	129 Å²	129	69 Å²	69	56%	0.561	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	122	167.6	-175.7	-177.6	-179.1	-178.8	0	109	F401 Q402	F401-K414 CarbonylContact C-O 2.97Å; F401-K414 WeakPolarHBondContact CA-O 3.41Å; Q402-K414 PolarHBondContact N-O 2.76Å; Q402-K414 PolarHBondContact O-N 3.49Å
415	G	90	Very high	88.5	Confident	16 Å²	16	65.8 Å²	65.8	17%	0.165	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.5	174.3	177.4	0	0	0	0	0	109.6	T400	T400-G415 VanDerWaalsContact O-CA 3.24Å; T400-G415 WeakPolarHBondContact O-CA 3.26Å
416	E	85.3	Confident	88.7	Confident	106 Å²	106	61 Å²	61	50%	0.495	30%	0.302	S	S	.	.			trans	-135.5	140.8	178.5	-68.9	174.7	-169.3	0	0	108.5	S418 N450	E416-S418 PolarHBondContact O-N 2.77Å; E416-N450 HydrophobicContact CG-CB 4.27Å; E416-N450 PolarHBondContact OE1-ND2 2.65Å
417	M	86.2	Confident	89.2	Confident	22 Å²	22	60.3 Å²	60.3	11%	0.108	31%	0.307	C	S	.	.			trans	-72.5	127.8	174.4	-173.3	-172.1	-79.4	0	0	108.7	L371 A375 E421 I422 F425 F448	L371-M417 HydrophobicContact CB-CE 3.39Å; L371-M417 HydrophobicContact CD1-CE 4.32Å; L371-M417 HydrophobicContact CD2-CE 3.58Å; L371-M417 HydrophobicContact CG-CE 3.91Å; L371-M417 VanDerWaalsContact O-CE 3.28Å; L371-M417 WeakPolarHBondContact O-CE 3.45Å; A375-M417 HydrophobicContact CB-CE 3.95Å; A375-M417 HydrophobicContact CB-SD 3.97Å; M417-E421 HydrophobicContact CG-CB 3.92Å; M417-I422 HydrophobicContact CG-CG1 4.16Å; M417-I422 HydrophobicContact SD-CD1 4.27Å; M417-I422 HydrophobicContact SD-CG1 3.71Å; M417-F425 HydrophobicContact CE-CE2 4.23Å; M417-F448 HydrophobicContact CB-CB 4.44Å; M417-F448 HydrophobicContact CG-CD2 4.3Å; M417-F448 HydrophobicContact SD-CD1 4.35Å; M417-F448 HydrophobicContact SD-CD2 3.36Å; M417-F448 WeakPolarHBondContact SD-CD2 3.34Å; M417-F448 HydrophobicContact SD-CE1 4.42Å; M417-F448 HydrophobicContact SD-CE2 3.44Å; M417-F448 WeakPolarHBondContact SD-CE2 3.33Å; M417-F448 HydrophobicContact SD-CG 3.87Å; M417-F448 HydrophobicContact SD-CZ 4.03Å
418	S	87.1	Confident	90.1	Very high	52 Å²	52	52.8 Å²	52.8	36%	0.364	27%	0.272	S	S	.	.			trans	-108.3	174	171.5	83.7	0	0	0	0	110.8	E416 Y420 E421 I422	E416-S418 PolarHBondContact O-N 2.77Å; S418-Y420 PolarHBondContact O-N 3.07Å; S418-Y420 WeakPolarHBondContact OG-CB 3.36Å; S418-Y420 PolarHBondContact OG-N 3.22Å; S418-E421 WeakPolarHBondContact CA-OE2 3.42Å; S418-E421 WeakPolarHBondContact CB-OE2 3.11Å; S418-E421 PolarHBondContact N-OE2 3.22Å; S418-E421 PolarHBondContact O-N 2.95Å; S418-E421 VanDerWaalsContact O-N 3.14Å; S418-E421 PolarHBondContact OG-OE2 2.95Å; S418-I422 PolarHBondContact O-N 2.9Å
419	Q	87.6	Confident	91.1	Very high	66 Å²	66	47.9 Å²	47.9	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-31.1	173.8	-170.7	61.9	51	0	0	112	E421 I422 D423	Q419-E421 VanDerWaalsContact C-N 3.34Å; Q419-E421 PolarHBondContact O-N 2.94Å; Q419-I422 PolarHBondContact O-N 3.39Å; Q419-D423 PolarHBondContact NE2-OD1 3.35Å; Q419-D423 WeakPolarHBondContact O-CB 3.35Å; Q419-D423 PolarHBondContact O-N 2.8Å
420	Y	91	Very high	92	Very high	139 Å²	139	48.8 Å²	48.8	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-43.3	176.5	176.2	-96	0	0	0	112	S418 W424	S418-Y420 PolarHBondContact O-N 3.07Å; S418-Y420 WeakPolarHBondContact OG-CB 3.36Å; S418-Y420 PolarHBondContact OG-N 3.22Å; Y420-W424 VanDerWaalsContact O-CB 3.22Å; Y420-W424 WeakPolarHBondContact O-CB 3.44Å; Y420-W424 PolarHBondContact O-N 2.73Å
421	E	91.2	Very high	92.5	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-40.6	176.5	-77.3	72.3	-155	0	0	112.2	N397 T400 F401 M417 S418 Q419 W424 F425	N397-E421 PolarHBondContact ND2-OE1 3Å; T400-E421 WeakPolarHBondContact CB-OE1 3.24Å; T400-E421 WeakPolarHBondContact CG2-OE1 3.25Å; T400-E421 PolarHBondContact OG1-OE1 3.02Å; F401-E421 HydrophobicContact CE2-CG 4.13Å; M417-E421 HydrophobicContact CG-CB 3.92Å; S418-E421 WeakPolarHBondContact CA-OE2 3.42Å; S418-E421 WeakPolarHBondContact CB-OE2 3.11Å; S418-E421 PolarHBondContact N-OE2 3.22Å; S418-E421 PolarHBondContact O-N 2.95Å; S418-E421 VanDerWaalsContact O-N 3.14Å; S418-E421 PolarHBondContact OG-OE2 2.95Å; Q419-E421 VanDerWaalsContact C-N 3.34Å; Q419-E421 PolarHBondContact O-N 2.94Å; E421-W424 PolarHBondContact O-N 2.8Å; E421-F425 WeakPolarHBondContact O-CD2 3.43Å; E421-F425 WeakPolarHBondContact O-CG 3.18Å; E421-F425 PolarHBondContact O-N 3.27Å
422	I	91.9	Very high	92.7	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.051	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-48.1	178.2	-59.8	168.8	0	0	0	110.1	A375 M417 S418 Q419 W424 F425 A426 F448	A375-I422 HydrophobicContact CB-CG1 4.4Å; M417-I422 HydrophobicContact CG-CG1 4.16Å; M417-I422 HydrophobicContact SD-CD1 4.27Å; M417-I422 HydrophobicContact SD-CG1 3.71Å; S418-I422 PolarHBondContact O-N 2.9Å; Q419-I422 PolarHBondContact O-N 3.39Å; I422-W424 VanDerWaalsContact C-N 3.31Å; I422-W424 PolarHBondContact O-N 3.03Å; I422-F425 PolarHBondContact O-N 3.5Å; I422-A426 WeakPolarHBondContact O-CB 3.42Å; I422-A426 PolarHBondContact O-N 3.21Å; I422-F448 HydrophobicContact CD1-CD2 3.99Å; I422-F448 HydrophobicContact CD1-CE2 3.62Å; I422-F448 HydrophobicContact CG1-CE2 4.16Å
423	D	92.4	Very high	92.9	Very high	71 Å²	71	46.2 Å²	46.2	38%	0.38	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-40.8	177.8	-64.5	-15.1	0	0	0	110.4	Q419 F425 A426 D427	Q419-D423 PolarHBondContact NE2-OD1 3.35Å; Q419-D423 WeakPolarHBondContact O-CB 3.35Å; Q419-D423 PolarHBondContact O-N 2.8Å; D423-F425 PolarHBondContact O-N 3.33Å; D423-A426 PolarHBondContact O-N 2.98Å; D423-D427 WeakPolarHBondContact O-CB 3.21Å; D423-D427 PolarHBondContact O-N 3.43Å
424	W	94.5	Very high	93	Very high	62 Å²	62	47.4 Å²	47.4	24%	0.235	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-44.6	177	-174.3	98.3	0	0	0	112.1	Y393 Y420 E421 I422 R428 F429	Y393-W424 WeakPolarHBondContact O-CH2 3.24Å; Y420-W424 VanDerWaalsContact O-CB 3.22Å; Y420-W424 WeakPolarHBondContact O-CB 3.44Å; Y420-W424 PolarHBondContact O-N 2.73Å; E421-W424 PolarHBondContact O-N 2.8Å; I422-W424 VanDerWaalsContact C-N 3.31Å; I422-W424 PolarHBondContact O-N 3.03Å; W424-R428 VanDerWaalsContact CD1-NH1 3.28Å; W424-R428 VanDerWaalsContact NE1-CZ 3.29Å; W424-R428 WeakPolarHBondContact O-CD 3.35Å; W424-R428 PolarHBondContact O-NH1 2.77Å; W424-R428 VanDerWaalsContact O-NH1 3.16Å; W424-F429 HydrophobicContact CE3-CE2 4.5Å; W424-F429 AromaticContact CH2-CE2 3.79Å; W424-F429 HydrophobicContact CH2-CE2 3.79Å; W424-F429 HydrophobicContact CH2-CZ 4.49Å; W424-F429 HydrophobicContact CZ3-CD2 4.21Å; W424-F429 AromaticContact CZ3-CE2 3.52Å; W424-F429 HydrophobicContact CZ3-CE2 3.52Å; W424-F429 HydrophobicContact CZ3-CZ 4.48Å
425	F	95.6	Very high	92.9	Very high	10 Å²	10	43 Å²	43	4%	0.044	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-49.7	173.6	-68.2	-47.7	0	0	0	110.5	L371 C372 L376 L394 M417 E421 I422 D423 D427 R428 F429	L371-F425 HydrophobicContact CB-CE2 4.42Å; C372-F425 HydrophobicContact CB-CD1 3.94Å; C372-F425 HydrophobicContact CB-CD2 4.15Å; C372-F425 HydrophobicContact CB-CE1 3.93Å; C372-F425 HydrophobicContact CB-CE2 4.12Å; C372-F425 HydrophobicContact CB-CG 4.09Å; C372-F425 HydrophobicContact CB-CZ 4.02Å; L376-F425 HydrophobicContact CD1-CB 3.61Å; L376-F425 HydrophobicContact CD2-CB 4.29Å; L376-F425 HydrophobicContact CG-CB 3.93Å; L394-F425 HydrophobicContact CD2-CD1 4.45Å; L394-F425 HydrophobicContact CD2-CE1 4.25Å; M417-F425 HydrophobicContact CE-CE2 4.23Å; E421-F425 WeakPolarHBondContact O-CD2 3.43Å; E421-F425 WeakPolarHBondContact O-CG 3.18Å; E421-F425 PolarHBondContact O-N 3.27Å; I422-F425 PolarHBondContact O-N 3.5Å; D423-F425 PolarHBondContact O-N 3.33Å; F425-D427 PolarHBondContact O-N 2.94Å; F425-R428 PolarHBondContact O-N 3.22Å; F425-F429 HydrophobicContact CD1-CD2 4.27Å; F425-F429 PolarHBondContact O-N 2.86Å
426	A	94.7	Very high	92.8	Very high	18 Å²	18	48.3 Å²	48.3	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-30.1	-175.6	0	0	0	0	0	112.7	L376 K386 I422 D423 R428	L376-A426 HydrophobicContact CD2-CB 3.87Å; K386-A426 WeakPolarHBondContact CE-O 3.28Å; K386-A426 PolarHBondContact NZ-O 2.82Å; I422-A426 WeakPolarHBondContact O-CB 3.42Å; I422-A426 PolarHBondContact O-N 3.21Å; D423-A426 PolarHBondContact O-N 2.98Å; A426-R428 VanDerWaalsContact C-N 3.35Å
427	D	95.3	Very high	92.9	Very high	110 Å²	110	50.2 Å²	50.2	59%	0.588	25%	0.251	S	S	*	.	H	α-helix	trans	-72.5	-26.5	175.9	-78.3	-13.1	0	0	0	113.2	D423 F425	D423-D427 WeakPolarHBondContact O-CB 3.21Å; D423-D427 PolarHBondContact O-N 3.43Å; F425-D427 PolarHBondContact O-N 2.94Å
428	R	96.9	Very high	93.1	Very high	66 Å²	66	54.2 Å²	54.2	25%	0.249	28%	0.278	C	S	.	.	H	α-helix	trans	-118	-23.9	-165.2	-70.9	168	177.6	74.2	5.3	115	K386 D392 W424 F425 A426	K386-R428 WeakPolarHBondContact CG-O 3.09Å; K386-R428 PolarHBondContact N-O 3.33Å; D392-R428 HydrophobicContact CB-CB 4.13Å; D392-R428 HydrophobicContact CB-CG 4.2Å; D392-R428 WeakPolarHBondContact OD1-CD 3.18Å; D392-R428 IonicContact OD1-NE 3.93Å; D392-R428 PolarHBondContact OD1-NE 2.87Å; W424-R428 VanDerWaalsContact CD1-NH1 3.28Å; W424-R428 VanDerWaalsContact NE1-CZ 3.29Å; W424-R428 WeakPolarHBondContact O-CD 3.35Å; W424-R428 PolarHBondContact O-NH1 2.77Å; W424-R428 VanDerWaalsContact O-NH1 3.16Å; F425-R428 PolarHBondContact O-N 3.22Å; A426-R428 VanDerWaalsContact C-N 3.35Å
429	F	97.6	Very high	93.4	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.6	-174	-63.9	-90.8	0	0	0	111.7	A326 L376 C383 I384 R385 K386 D392 L394 W424 F425	A326-F429 HydrophobicContact CB-CE1 4.3Å; L376-F429 HydrophobicContact CD1-CB 4.19Å; C383-F429 HydrophobicContact CB-CB 4.01Å; C383-F429 HydrophobicContact CB-CD1 4.08Å; C383-F429 HydrophobicContact CB-CG 4.23Å; I384-F429 CarbonylContact O-C 3.59Å; I384-F429 VanDerWaalsContact O-CA 3.24Å; I384-F429 WeakPolarHBondContact O-CA 3.25Å; R385-F429 HydrophobicContact CB-CD1 4.43Å; R385-F429 HydrophobicContact CB-CE1 4.16Å; K386-F429 WeakPolarHBondContact CE-O 3.42Å; D392-F429 HydrophobicContact CB-CE2 4.39Å; D392-F429 HydrophobicContact CB-CZ 4.28Å; L394-F429 HydrophobicContact CD1-CE1 4.43Å; L394-F429 HydrophobicContact CD2-CD1 3.96Å; L394-F429 HydrophobicContact CD2-CD2 4.3Å; L394-F429 HydrophobicContact CD2-CE1 3.73Å; L394-F429 HydrophobicContact CD2-CE2 4.09Å; L394-F429 HydrophobicContact CD2-CG 4.27Å; L394-F429 HydrophobicContact CD2-CZ 3.8Å; L394-F429 HydrophobicContact CG-CD1 4.33Å; L394-F429 HydrophobicContact CG-CE1 3.73Å; L394-F429 HydrophobicContact CG-CZ 3.94Å; W424-F429 HydrophobicContact CE3-CE2 4.5Å; W424-F429 AromaticContact CH2-CE2 3.79Å; W424-F429 HydrophobicContact CH2-CE2 3.79Å; W424-F429 HydrophobicContact CH2-CZ 4.49Å; W424-F429 HydrophobicContact CZ3-CD2 4.21Å; W424-F429 AromaticContact CZ3-CE2 3.52Å; W424-F429 HydrophobicContact CZ3-CE2 3.52Å; W424-F429 HydrophobicContact CZ3-CZ 4.48Å; F425-F429 HydrophobicContact CD1-CD2 4.27Å; F425-F429 PolarHBondContact O-N 2.86Å
430	D	96.1	Very high	93.5	Very high	49 Å²	49	53.5 Å²	53.5	26%	0.262	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-178.9	164.3	-80.9	-36.9	0	0	0	109.8	L29 C383 I384 K386	L29-D430 HydrophobicContact CD1-CB 3.61Å; C383-D430 CarbonylContact C-O 3.48Å; C383-D430 VanDerWaalsContact CA-O 3.31Å; C383-D430 WeakPolarHBondContact CA-O 3.45Å; I384-D430 HydrophobicContact CG2-CB 4.32Å; I384-D430 PolarHBondContact N-O 3.14Å; I384-D430 PolarHBondContact O-N 3.49Å; K386-D430 WeakPolarHBondContact CE-OD1 3.16Å; K386-D430 HydrophobicContact CG-CB 4.31Å; K386-D430 WeakPolarHBondContact CG-OD2 3.11Å; K386-D430 IonicContact NZ-OD1 3.01Å
431	C	96.3	Very high	93.1	Very high	10 Å²	10	47.7 Å²	47.7	7%	0.068	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.4	-178.9	-66.8	0	0	0	0	112.4	L29 L376 C377 C439	L29-C431 WeakPolarHBondContact CD1-O 3.24Å; L376-C431 PolarHBondContact O-SG 2.67Å; C377-C431 WeakPolarHBondContact CA-SG 3.31Å; C377-C431 HydrophobicContact CB-CB 3.82Å; C377-C431 WeakPolarHBondContact CB-SG 3.12Å; C377-C431 VanDerWaalsContact SG-CA 3.55Å; C377-C431 WeakPolarHBondContact SG-CB 3.45Å; C377-C431 CovalentContact SG-SG 2.04Å; C377-C431 PolarHBondContact SG-SG 3.32Å; C431-C439 VanDerWaalsContact CB-SG 3.51Å
432	L	96.3	Very high	92.2	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.7	164.9	-172.1	72.7	0	0	0	108.2	P30 T32 M282 G381 R382 I384	P30-L432 HydrophobicContact CG-CD1 3.84Å; P30-L432 WeakPolarHBondContact O-CD1 3.44Å; T32-L432 HydrophobicContact CG2-CD2 3.67Å; T32-L432 HydrophobicContact CG2-CG 3.66Å; M282-L432 HydrophobicContact CE-CD2 4.17Å; G381-L432 CarbonylContact C-O 3.58Å; G381-L432 WeakPolarHBondContact CA-O 3.39Å; R382-L432 HydrophobicContact CG-CB 4.03Å; R382-L432 HydrophobicContact CG-CD2 4.17Å; R382-L432 PolarHBondContact N-O 3.42Å; R382-L432 PolarHBondContact O-N 3.49Å; I384-L432 HydrophobicContact CG2-CB 4.25Å
433	C	97	Very high	90.6	Very high	19 Å²	19	54.4 Å²	54.4	13%	0.128	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	149.2	-167.3	-59.3	0	0	0	0	113.8	K31 T32 C439	K31-C433 CarbonylContact C-O 3.6Å; K31-C433 VanDerWaalsContact CA-O 3.28Å; K31-C433 WeakPolarHBondContact CA-O 3.17Å; T32-C433 PolarHBondContact N-O 3.13Å; C433-C439 WeakPolarHBondContact CA-SG 3.36Å; C433-C439 HydrophobicContact CB-CB 3.77Å; C433-C439 WeakPolarHBondContact CB-SG 3.48Å; C433-C439 WeakPolarHBondContact SG-CB 3.42Å; C433-C439 PolarHBondContact SG-N 3.45Å; C433-C439 CovalentContact SG-SG 2.04Å; C433-C439 PolarHBondContact SG-SG 2.73Å
434	Y	96.8	Very high	88.7	Confident	28 Å²	28	55.7 Å²	55.7	11%	0.11	31%	0.309	C	S	.	.	S	Bend	trans	-87.2	-9.8	-179.6	-57.6	-35.5	0	0	0	114.9	T32 P34 P41 N380 R382	T32-Y434 HydrophobicContact CG2-CD1 3.92Å; T32-Y434 HydrophobicContact CG2-CE1 4.15Å; T32-Y434 CarbonylContact O-C 3.58Å; T32-Y434 VanDerWaalsContact O-CA 3.24Å; T32-Y434 WeakPolarHBondContact O-CA 3.48Å; P34-Y434 HydrophobicContact CB-CD1 4.26Å; P34-Y434 HydrophobicContact CB-CD2 4.05Å; P34-Y434 HydrophobicContact CB-CE2 4.37Å; P34-Y434 HydrophobicContact CB-CG 4Å; P41-Y434 WeakPolarHBondContact CA-OH 3.36Å; N380-Y434 VanDerWaalsContact C-CD2 3.42Å; N380-Y434 PolarHBondContact O-N 3.16Å; R382-Y434 HydrophobicContact CG-CE1 4.29Å
435	S	91.5	Very high	86.6	Confident	35 Å²	35	59.7 Å²	59.7	25%	0.245	33%	0.334	C	S	.	.	S	Bend	trans	-135.6	170.1	-178	64.3	0	0	0	0	111.1	N380 E437	N380-S435 PolarHBondContact ND2-OG 3.05Å; S435-E437 PolarHBondContact O-N 2.88Å; S435-E437 PolarHBondContact OG-N 3.01Å; S435-E437 PolarHBondContact OG-O 3.37Å
436	D	86.7	Confident	84.3	Confident	129 Å²	129	62.9 Å²	62.9	69%	0.69	35%	0.351	S	S	*	.	S	Bend	trans	-65.8	-21.1	172.1	-64.3	-55.4	0	0	0	112.7	K31	K31-D436 WeakPolarHBondContact CD-OD1 3.22Å; K31-D436 WeakPolarHBondContact CE-OD1 3.35Å; K31-D436 IonicContact NZ-OD1 3.14Å; K31-D436 PolarHBondContact NZ-OD1 2.69Å; K31-D436 IonicContact NZ-OD2 3.96Å; K31-D436 PolarHBondContact NZ-OD2 3.43Å
437	E	88.1	Confident	82	Confident	146 Å²	146	67.2 Å²	67.2	68%	0.682	38%	0.381	S	S	*	.	S	Bend	trans	-73.2	131.4	173.8	-64.4	-168.4	171	0	0	111.3	S435 C439	S435-E437 PolarHBondContact O-N 2.88Å; S435-E437 PolarHBondContact OG-N 3.01Å; S435-E437 PolarHBondContact OG-O 3.37Å; E437-C439 PolarHBondContact O-N 3.28Å; E437-C439 VanDerWaalsContact O-N 3.17Å
438	P	90.2	Very high	79.9	Confident	105 Å²	105	64.7 Å²	64.7	68%	0.682	36%	0.364	S	S	*	.			trans	-57.4	121.6	173.6	-24.2	33.5	0	0	0	111.3
439	C	93.4	Very high	77.4	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	38%	0.384	C	S	.	.			trans	-91.8	-8.3	-177.3	68.1	0	0	0	0	113.4	C377 R378 N380 C431 C433 E437 S441	C377-C439 CarbonylContact C-O 3.54Å; C377-C439 VanDerWaalsContact CA-O 3.25Å; C377-C439 WeakPolarHBondContact CA-O 3.5Å; C377-C439 WeakPolarHBondContact O-CB 3.17Å; R378-C439 WeakPolarHBondContact CD-O 3.3Å; R378-C439 VanDerWaalsContact CG-O 3.26Å; R378-C439 WeakPolarHBondContact CG-O 3.45Å; R378-C439 PolarHBondContact N-O 2.92Å; N380-C439 HydrophobicContact CB-CB 4.16Å; N380-C439 VanDerWaalsContact O-CB 3.31Å; N380-C439 WeakPolarHBondContact O-CB 3.17Å; C431-C439 VanDerWaalsContact CB-SG 3.51Å; C433-C439 WeakPolarHBondContact CA-SG 3.36Å; C433-C439 HydrophobicContact CB-CB 3.77Å; C433-C439 WeakPolarHBondContact CB-SG 3.48Å; C433-C439 WeakPolarHBondContact SG-CB 3.42Å; C433-C439 PolarHBondContact SG-N 3.45Å; C433-C439 CovalentContact SG-SG 2.04Å; C433-C439 PolarHBondContact SG-SG 2.73Å; E437-C439 PolarHBondContact O-N 3.28Å; E437-C439 VanDerWaalsContact O-N 3.17Å; C439-S441 PolarHBondContact O-N 2.86Å
440	Q	90.6	Very high	74.8	Confident	103 Å²	103	71.7 Å²	71.7	48%	0.481	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.3	127.6	-177.4	-163.5	165.4	18.4	0	0	111.9	L376 R378	L376-Q440 CarbonylContact O-C 3.51Å; L376-Q440 WeakPolarHBondContact O-CA 3.22Å; R378-Q440 PolarHBondContact NE-O 2.87Å; R378-Q440 PolarHBondContact NH2-O 2.91Å
441	S	82.4	Confident	72.3	Confident	16 Å²	16	71.5 Å²	71.5	11%	0.112	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-75.5	142.5	172.9	62.4	0	0	0	0	111	A375 L376 C439 S443	A375-S441 PolarHBondContact O-OG 3.21Å; L376-S441 WeakPolarHBondContact CA-OG 3.32Å; L376-S441 PolarHBondContact O-N 2.53Å; L376-S441 PolarHBondContact O-OG 3.22Å; C439-S441 PolarHBondContact O-N 2.86Å; S441-S443 PolarHBondContact O-N 2.88Å
442	S	71	Confident	69.9	Low	85 Å²	85	76 Å²	76	59%	0.594	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-63.2	131.3	158.2	51.5	0	0	0	0	107.8	T444	S442-T444 PolarHBondContact O-N 3.48Å; S442-T444 PolarHBondContact O-OG1 3.33Å; S442-T444 PolarHBondContact OG-OG1 3.14Å
443	S	60.3	Low	67.7	Low	77 Å²	77	77.1 Å²	77.1	54%	0.538	44%	0.441	S	S	.	.	S	Bend	trans	-64.7	31.2	-173.8	-41.1	0	0	0	0	115.4	S441	S441-S443 PolarHBondContact O-N 2.88Å
444	T	52.6	Low	64.9	Low	98 Å²	98	79.6 Å²	79.6	60%	0.601	46%	0.459	S	S	*	.	S	Bend	trans	-102.6	111.2	-176.7	48.3	0	0	0	0	111	S442 N446	S442-T444 PolarHBondContact O-N 3.48Å; S442-T444 PolarHBondContact O-OG1 3.33Å; S442-T444 PolarHBondContact OG-OG1 3.14Å; T444-N446 PolarHBondContact O-N 2.91Å
445	L	48.9	Very low	62.3	Low	145 Å²	145	80.8 Å²	80.8	76%	0.759	47%	0.467	S	S	*	.			trans	28.3	80.5	156.3	-124.6	115.4	0	0	0	116.2
446	N	47.5	Very low	59.7	Low	77 Å²	77	81.4 Å²	81.4	41%	0.412	48%	0.48	S	S	.	.			trans	-88.5	113.5	159.5	-75.3	-27	0	0	0	107.6	T444 F448	T444-N446 PolarHBondContact O-N 2.91Å; N446-F448 HydrophobicContact CB-CD2 4.06Å; N446-F448 HydrophobicContact CB-CE1 4.34Å; N446-F448 HydrophobicContact CB-CE2 3.36Å; N446-F448 HydrophobicContact CB-CZ 3.5Å; N446-F448 VanDerWaalsContact CB-CZ 3.5Å; N446-F448 WeakPolarHBondContact O-CD2 3.43Å; N446-F448 PolarHBondContact O-N 3.24Å
447	S	45.7	Very low	56.9	Low	110 Å²	110	81.5 Å²	81.5	77%	0.769	49%	0.485	S	S	*	.			trans	-67.5	99.9	166.8	57.3	0	0	0	0	108.1	P449	S447-P449 WeakPolarHBondContact O-CD 3.45Å
448	F	52	Low	54	Low	56 Å²	56	79.2 Å²	79.2	25%	0.246	48%	0.483	C	S	.	.			trans	-80	119.8	172.6	-68.8	-80.4	0	0	0	109	E374 A375 M417 I422 N446	E374-F448 HydrophobicContact CB-CE1 4.31Å; A375-F448 HydrophobicContact CB-CE2 4.32Å; A375-F448 HydrophobicContact CB-CZ 4.01Å; M417-F448 HydrophobicContact CB-CB 4.44Å; M417-F448 HydrophobicContact CG-CD2 4.3Å; M417-F448 HydrophobicContact SD-CD1 4.35Å; M417-F448 HydrophobicContact SD-CD2 3.36Å; M417-F448 WeakPolarHBondContact SD-CD2 3.34Å; M417-F448 HydrophobicContact SD-CE1 4.42Å; M417-F448 HydrophobicContact SD-CE2 3.44Å; M417-F448 WeakPolarHBondContact SD-CE2 3.33Å; M417-F448 HydrophobicContact SD-CG 3.87Å; M417-F448 HydrophobicContact SD-CZ 4.03Å; I422-F448 HydrophobicContact CD1-CD2 3.99Å; I422-F448 HydrophobicContact CD1-CE2 3.62Å; I422-F448 HydrophobicContact CG1-CE2 4.16Å; N446-F448 HydrophobicContact CB-CD2 4.06Å; N446-F448 HydrophobicContact CB-CE1 4.34Å; N446-F448 HydrophobicContact CB-CE2 3.36Å; N446-F448 HydrophobicContact CB-CZ 3.5Å; N446-F448 VanDerWaalsContact CB-CZ 3.5Å; N446-F448 WeakPolarHBondContact O-CD2 3.43Å; N446-F448 PolarHBondContact O-N 3.24Å
449	P	44	Very low	51.2	Low	102 Å²	102	82.5 Å²	82.5	66%	0.662	49%	0.489	S	S	*	.			trans	-63.4	156.4	171.3	27	-31.6	0	0	0	110.1	S447 F451	S447-P449 WeakPolarHBondContact O-CD 3.45Å; P449-F451 PolarHBondContact O-N 3.43Å
450	N	43.5	Very low	48	Very low	113 Å²	113	92.6 Å²	92.6	60%	0.604	53%	0.528	S	S	*	.			trans	-49.2	114.2	-176.9	-57	21	0	0	0	110.6	E416 V452	E416-N450 HydrophobicContact CG-CB 4.27Å; E416-N450 PolarHBondContact OE1-ND2 2.65Å; N450-V452 PolarHBondContact O-N 2.9Å
451	F	44.5	Very low	45.2	Very low	45 Å²	45	97 Å²	97	20%	0.197	55%	0.546	C	S	.	.			trans	-89.7	111	-174.4	-176.7	-99.3	0	0	0	110	T367 R370 L371 P449 Q453	T367-F451 HydrophobicContact CG2-CD1 4.45Å; T367-F451 HydrophobicContact CG2-CE1 3.91Å; R370-F451 VanDerWaalsContact NH2-CE2 3.31Å; L371-F451 HydrophobicContact CD2-CD1 4.16Å; L371-F451 HydrophobicContact CD2-CG 4.2Å; P449-F451 PolarHBondContact O-N 3.43Å; F451-Q453 HydrophobicContact CE1-CB 3.54Å; F451-Q453 HydrophobicContact CE1-CG 4.34Å; F451-Q453 HydrophobicContact CZ-CB 3.51Å; F451-Q453 HydrophobicContact CZ-CG 3.93Å
452	V	44	Very low	42.4	Very low	103 Å²	103	104.4 Å²	104.4	62%	0.624	58%	0.579	S	S	*	*			trans	-117	101.8	173.2	-177.9	0	0	0	0	108.8	N450 S454	N450-V452 PolarHBondContact O-N 2.9Å; V452-S454 PolarHBondContact O-N 2.79Å
453	Q	50.2	Low	40.4	Very low	26 Å²	26	105.7 Å²	105.7	12%	0.121	59%	0.585	C	S	.	*			trans	-86.6	106.3	167.1	-149.7	162	-14.2	0	0	109.2	T367 F451	T367-Q453 PolarHBondContact OG1-OE1 2.95Å; F451-Q453 HydrophobicContact CE1-CB 3.54Å; F451-Q453 HydrophobicContact CE1-CG 4.34Å; F451-Q453 HydrophobicContact CZ-CB 3.51Å; F451-Q453 HydrophobicContact CZ-CG 3.93Å
454	S	38.8	Very low	38.8	Very low	72 Å²	72	111.5 Å²	111.5	50%	0.503	60%	0.601	S	S	.	*	B	Isolated β-bridge	trans	-104.6	129.7	164.3	58.9	0	0	0	0	109.5	V452 G456	V452-S454 PolarHBondContact O-N 2.79Å; S454-G456 PolarHBondContact O-N 3.13Å
455	N	42.5	Very low	37.6	Very low	52 Å²	52	112.5 Å²	112.5	28%	0.278	61%	0.607	S	S	.	*	S	Bend	trans	-63	104.4	169	-83	5	0	0	0	109.4	H65	H65-N455 PolarHBondContact CE1-ND2 3.2Å; H65-N455 PolarHBondContact ND1-ND2 3.04Å; H65-N455 PolarHBondContact NE2-ND2 3.38Å
456	G	36.1	Very low	36.8	Very low	49 Å²	49	112.4 Å²	112.4	51%	0.505	61%	0.606	S	S	.	*	S	Bend	trans	159.5	95.5	177.2	0	0	0	0	0	110.5	S454	S454-G456 PolarHBondContact O-N 3.13Å
457	T	27.9	Very low	35.8	Very low	131 Å²	131	116.1 Å²	116.1	80%	0.804	63%	0.625	S	S	*	*	S	Bend	trans	61.1	140.5	177.1	42	0	0	0	0	116.3	Q459	T457-Q459 PolarHBondContact O-N 3.23Å
458	P	28.4	Very low	35.2	Very low	98 Å²	98	116.2 Å²	116.2	64%	0.636	62%	0.621	S	S	*	*			trans	-58.7	116.6	165	-3	14.7	0	0	0	106.9	Y460	P458-Y460 PolarHBondContact O-N 2.96Å
459	Q	30.1	Very low	34.1	Very low	174 Å²	174	119 Å²	119	81%	0.813	65%	0.648	S	S	*	*			trans	-65.9	99.9	158.8	-90.7	-177.1	-16.5	0	0	105.5	T457 F461	T457-Q459 PolarHBondContact O-N 3.23Å; Q459-F461 PolarHBondContact O-N 3.39Å
460	Y	27.9	Very low	33.6	Very low	212 Å²	212	120 Å²	120	83%	0.831	65%	0.651	S	S	*	*			trans	-43	112.1	163.2	-82.4	-90	0	0	0	107.7	P458 Q462	P458-Y460 PolarHBondContact O-N 2.96Å; Y460-Q462 PolarHBondContact O-N 3.38Å
461	F	29.9	Very low	32.8	Very low	195 Å²	195	125.3 Å²	125.3	86%	0.855	67%	0.665	S	S	*	*			trans	-56.4	107	160.3	-95.4	-91.7	0	0	0	106	Q459 P463	Q459-F461 PolarHBondContact O-N 3.39Å; F461-P463 WeakPolarHBondContact O-CD 3.4Å
462	Q	24.4	Very low	32	Very low	172 Å²	172	128.3 Å²	128.3	80%	0.804	69%	0.691	S	S	*	*			trans	-61	123.4	164.5	-79.4	-163.8	-41.3	0	0	106.4	Y460 F464	Y460-Q462 PolarHBondContact O-N 3.38Å; Q462-F464 PolarHBondContact O-N 3.12Å; Q462-F464 VanDerWaalsContact O-N 3.13Å
463	P	28.1	Very low	31.2	Very low	112 Å²	112	131.9 Å²	131.9	73%	0.727	70%	0.703	S	S	*	*			trans	-59.4	125.2	170.8	23	-29.3	0	0	0	107.2	F461 V465	F461-P463 WeakPolarHBondContact O-CD 3.4Å; P463-V465 PolarHBondContact O-N 3.5Å
464	F	27	Very low	30.1	Very low	200 Å²	200	142.3 Å²	142.3	88%	0.877	74%	0.743	S	S	*	*			trans	-52.5	108.2	165.1	-95.3	-94.1	0	0	0	107.3	Q462 I466	Q462-F464 PolarHBondContact O-N 3.12Å; Q462-F464 VanDerWaalsContact O-N 3.13Å; F464-I466 VanDerWaalsContact C-N 3.28Å; F464-I466 PolarHBondContact O-N 3.42Å
465	V	27.6	Very low	29.8	Very low	119 Å²	119	144.3 Å²	144.3	72%	0.721	75%	0.752	S	S	*	*			trans	-65.4	97.1	165.5	176.8	0	0	0	0	105.7	P463 L467	P463-V465 PolarHBondContact O-N 3.5Å; V465-L467 VanDerWaalsContact C-N 3.25Å; V465-L467 HydrophobicContact CG1-CG 4.31Å; V465-L467 PolarHBondContact O-N 3.3Å
466	I	32.5	Very low	29.1	Very low	142 Å²	142	150.9 Å²	150.9	73%	0.728	78%	0.778	S	S	*	*			trans	-65.3	97.4	160.5	-60.3	178.3	0	0	0	105.1	F464 T468	F464-I466 VanDerWaalsContact C-N 3.28Å; F464-I466 PolarHBondContact O-N 3.42Å; I466-T468 HydrophobicContact CG2-CG2 4.19Å; I466-T468 PolarHBondContact O-N 3.37Å
467	L	27.4	Very low	28.7	Very low	155 Å²	155	156.2 Å²	156.2	81%	0.812	80%	0.795	S	S	*	*			trans	-63.7	89.1	167.9	-102.5	148.1	0	0	0	107.9	V465 S469	V465-L467 VanDerWaalsContact C-N 3.25Å; V465-L467 HydrophobicContact CG1-CG 4.31Å; V465-L467 PolarHBondContact O-N 3.3Å; L467-S469 PolarHBondContact O-N 3.37Å
468	T	32.2	Very low	28.8	Very low	112 Å²	112	157 Å²	157	69%	0.687	80%	0.799	S	S	*	*			trans	-72.3	103.8	160.4	45.4	0	0	0	0	107.4	I466 V470	I466-T468 HydrophobicContact CG2-CG2 4.19Å; I466-T468 PolarHBondContact O-N 3.37Å; T468-V470 PolarHBondContact O-N 2.87Å
469	S	29.8	Very low	28.7	Very low	116 Å²	116	161.1 Å²	161.1	81%	0.811	81%	0.812	S	S	*	*			trans	-69.7	98.3	170.7	47.5	0	0	0	0	109.6	L467	L467-S469 PolarHBondContact O-N 3.37Å
470	V	32	Very low	28.7	Very low	122 Å²	122	161.7 Å²	161.7	74%	0.739	82%	0.817	S	S	*	*			trans	-116.3	97.5	163.5	-177.3	0	0	0	0	108.3	T468	T468-V470 PolarHBondContact O-N 2.87Å
471	Y	26.5	Very low	28.8	Very low	225 Å²	225	157.6 Å²	157.6	88%	0.882	82%	0.818	S	S	*	*			trans	-159.5	95.7	152.8	-115.3	-80.7	0	0	0	110
472	S	27.6	Very low	28.8	Very low	108 Å²	108	156.1 Å²	156.1	76%	0.755	82%	0.819	S	S	*	*	S	Bend	trans	157.7	100.4	131.9	-76.2	0	0	0	0	110.3
473	M	28.1	Very low	29.2	Very low	177 Å²	177	155.3 Å²	155.3	87%	0.872	82%	0.82	S	S	*	*			trans	164.5	76.8	133.3	-88.6	-173.4	78	0	0	109
474	Y	26.8	Very low	29.7	Very low	245 Å²	245	156.4 Å²	156.4	96%	0.961	83%	0.825	S	S	*	*			trans	-117.4	77.8	154.4	-104.2	-86.2	0	0	0	107.3
475	V	32.1	Very low	29.8	Very low	115 Å²	115	150 Å²	150	70%	0.697	82%	0.815	S	S	*	*			trans	-134.7	128.1	156	-173.3	0	0	0	0	105.4
476	F	28.1	Very low	30	Very low	189 Å²	189	149.4 Å²	149.4	83%	0.829	82%	0.816	S	S	*	*	S	Bend	trans	102.8	118.6	176.8	-69.5	-82.6	0	0	0	117.2
477	L	28.3	Very low	30.1	Very low	161 Å²	161	157.8 Å²	157.8	84%	0.843	84%	0.839	S	S	*	*			trans	85.6	67.4	161.1	-72	137.4	0	0	0	118.4
478	V	29.3	Very low	30.2	Very low	149 Å²	149	157.9 Å²	157.9	90%	0.903	84%	0.84	S	S	*	*				-148.3	82.1	122	-172.6	0	0	0	0	109.2
479	M	27.9	Very low	30.1	Very low	183 Å²	183	160.3 Å²	160.3	90%	0.901	85%	0.848	S	S	*	*			trans	-156.9	94.9	157.3	-101.7	-166.3	-175.4	0	0	107.3
480	M	29.1	Very low	30.1	Very low	186 Å²	186	162.8 Å²	162.8	92%	0.916	85%	0.85	S	S	*	*			trans	-170.2	83.5	139.5	-77.6	-128.7	172.6	0	0	105.2
481	C	29.4	Very low	30	Very low	126 Å²	126	165.2 Å²	165.2	85%	0.851	86%	0.857	S	S	*	*				56.1	102.3	101.5	-96.8	0	0	0	0	113.5	N483	C481-N483 PolarHBondContact O-N 3.33Å
482	N	31.1	Very low	30.3	Very low	164 Å²	164	161.4 Å²	161.4	88%	0.877	86%	0.855	S	S	*	*			trans	-42.2	124.3	140.3	-90.9	-20.5	0	0	0	109.8
483	N	32	Very low	30.4	Very low	156 Å²	156	165 Å²	165	83%	0.834	86%	0.862	S	S	*	*			trans	-147.1	129.3	138.2	-126	-11.2	0	0	0	110.3	C481	C481-N483 PolarHBondContact O-N 3.33Å
484	T	38.5	Very low	30.6	Very low	135 Å²	135	164.1 Å²	164.1	83%	0.828	86%	0.861	S	S	*	*			trans	-68.3	150.1	-179.3	44.6	0	0	0	0	113.4
485	G	28.9	Very low	30.9	Very low	65 Å²	65	157.9 Å²	157.9	67%	0.67	85%	0.854	S	S	*	*			trans	124.9	122.9	139.8	0	0	0	0	0	118.4
486	S	32.3	Very low	30.8	Very low	106 Å²	106	161.5 Å²	161.5	74%	0.741	87%	0.867	S	S	*	*			trans	51	113.4	144.5	51.7	0	0	0	0	117.8
487	W	34.5	Very low	31	Very low	318 Å²	318	159 Å²	159	100%	1.205	87%	0.87	S	S	*	*				-167.2	0	72	-94.3	86.3	0	0	0	109.7

Retrieved 487 of 487 residues in 333.4 ms (Link to these results)

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