A0A077YYH4_TRITR Loading...

Pkinase Tyr domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 557 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	28.8	Very low	32.3	Very low	177 Å²	177	125.5 Å²	125.5	87%	0.872	62%	0.618	S	S	*	*				0	103.4	0	-73.6	178.2	170.6	0	0	107.5	S3 D106	M1-S3 PolarHBondContact O-N 2.96Å; M1-D106 HydrophobicContact CE-CB 4.42Å; M1-D106 VanDerWaalsContact CE-CG 3.49Å; M1-D106 WeakPolarHBondContact CE-OD2 2.95Å
2	E	24.1	Very low	32.9	Very low	136 Å²	136	120.9 Å²	120.9	64%	0.636	60%	0.604	S	S	*	*			trans	-65.2	102.4	166.1	-78.8	-171.4	165.1	0	0	106.9	R4	E2-R4 VanDerWaalsContact C-N 3.28Å; E2-R4 PolarHBondContact O-N 3.37Å; E2-R4 IonicContact OE2-NE 3.49Å; E2-R4 IonicContact OE2-NH2 3.21Å; E2-R4 PolarHBondContact OE2-NH2 3.14Å
3	S	27.1	Very low	33.6	Very low	104 Å²	104	113.3 Å²	113.3	73%	0.727	57%	0.567	S	S	*	*			trans	-71.8	88.1	173.5	47.7	0	0	0	0	109	M1 C5	M1-S3 PolarHBondContact O-N 2.96Å; S3-C5 PolarHBondContact O-N 2.63Å
4	R	26.5	Very low	33.8	Very low	172 Å²	172	117.5 Å²	117.5	65%	0.649	59%	0.587	S	S	*	*			trans	-74.6	108.2	171	-71	-172	-178.2	-165	2.3	109.1	E2 N6	E2-R4 VanDerWaalsContact C-N 3.28Å; E2-R4 PolarHBondContact O-N 3.37Å; E2-R4 IonicContact OE2-NE 3.49Å; E2-R4 IonicContact OE2-NH2 3.21Å; E2-R4 PolarHBondContact OE2-NH2 3.14Å; R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 3.17Å
5	C	30.6	Very low	34.1	Very low	95 Å²	95	111.1 Å²	111.1	64%	0.642	56%	0.555	S	S	*	*			trans	-71.1	86.3	167.3	-151.5	0	0	0	0	108.2	S3 T7 C102	S3-C5 PolarHBondContact O-N 2.63Å; C5-T7 PolarHBondContact O-N 2.96Å; C5-C102 PolarHBondContact SG-SG 3.3Å
6	N	34.5	Very low	34.2	Very low	81 Å²	81	110.4 Å²	110.4	43%	0.433	56%	0.561	S	S	.	*			trans	-75.3	116.6	175.5	-74.6	-29.6	0	0	0	108.7	R4 V8	R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 3.17Å; N6-V8 VanDerWaalsContact O-CG2 3.26Å; N6-V8 WeakPolarHBondContact O-CG2 3.18Å; N6-V8 PolarHBondContact O-N 3.48Å; N6-V8 VanDerWaalsContact O-N 3.07Å
7	T	32.5	Very low	34	Very low	89 Å²	89	108.1 Å²	108.1	55%	0.546	57%	0.571	S	S	.	*			trans	-67.8	105.2	168.8	-65.3	0	0	0	0	107.9	C5 H100	C5-T7 PolarHBondContact O-N 2.96Å; T7-H100 VanDerWaalsContact CG2-ND1 3.31Å; T7-H100 WeakPolarHBondContact CG2-ND1 3.28Å
8	V	41	Very low	34.1	Very low	73 Å²	73	106.8 Å²	106.8	44%	0.442	57%	0.568	S	S	.	*			trans	-82.9	-33.4	-169.8	-168.7	0	0	0	0	112.5	N6 I101	N6-V8 VanDerWaalsContact O-CG2 3.26Å; N6-V8 WeakPolarHBondContact O-CG2 3.18Å; N6-V8 PolarHBondContact O-N 3.48Å; N6-V8 VanDerWaalsContact O-N 3.07Å; V8-I101 WeakPolarHBondContact CG2-O 3.19Å
9	Y	38.2	Very low	34.1	Very low	137 Å²	137	106.8 Å²	106.8	54%	0.537	58%	0.578	S	S	.	*			trans	-146.6	142.9	179.3	-97.7	-89.9	0	0	0	112.7	Y11	Y9-Y11 HydrophobicContact CD1-CD2 4.33Å
10	K	34.2	Very low	34.1	Very low	159 Å²	159	102.9 Å²	102.9	69%	0.691	56%	0.556	S	S	*	*			trans	-119.9	96	169.6	-137	-178.9	-171.1	177.7	0	106.9	P12	K10-P12 VanDerWaalsContact O-CD 3.24Å; K10-P12 WeakPolarHBondContact O-CD 3.49Å
11	Y	38.4	Very low	34.2	Very low	158 Å²	158	101.5 Å²	101.5	62%	0.62	55%	0.553	S	S	*	*			trans	-91	110.2	175	-124.6	-87.6	0	0	0	109.1	Y9 L13 Y97	Y9-Y11 HydrophobicContact CD1-CD2 4.33Å; Y11-L13 PolarHBondContact O-N 2.97Å; Y11-Y97 VanDerWaalsContact O-O 3.08Å
12	P	38.7	Very low	34.6	Very low	70 Å²	70	93.2 Å²	93.2	46%	0.455	51%	0.512	S	S	.	.			trans	-74	105.9	168.1	29.4	-30.5	0	0	0	108.8	K10 M14	K10-P12 VanDerWaalsContact O-CD 3.24Å; K10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-M14 PolarHBondContact O-N 3.08Å
13	L	42.7	Very low	35.5	Very low	22 Å²	22	87 Å²	87	12%	0.115	48%	0.483	C	S	.	.	B	Isolated β-bridge	trans	-77.5	103.7	163.8	-86.6	127.7	0	0	0	108.8	Y11 L15 L23	Y11-L13 PolarHBondContact O-N 2.97Å; L13-L15 HydrophobicContact CD2-CD2 3.94Å; L13-L23 HydrophobicContact CD1-CD2 3.53Å; L13-L23 HydrophobicContact CD2-CD1 3.92Å; L13-L23 HydrophobicContact CD2-CD2 4.06Å; L13-L23 HydrophobicContact CG-CD2 4.44Å
14	M	35.5	Very low	36.1	Very low	172 Å²	172	83.4 Å²	83.4	85%	0.847	46%	0.455	S	S	*	.			trans	-87.9	107.5	156	-81.5	-93.1	-71	0	0	106.1	P12 P16	P12-M14 PolarHBondContact O-N 3.08Å; M14-P16 WeakPolarHBondContact O-CD 3.31Å
15	L	38.6	Very low	36.9	Very low	22 Å²	22	76 Å²	76	12%	0.115	43%	0.428	C	S	.	.			trans	-80.7	109.4	174.5	-62.4	168.6	0	0	0	108	L13 G17 I20 L91 Y97	L13-L15 HydrophobicContact CD2-CD2 3.94Å; L15-G17 PolarHBondContact O-N 3.44Å; L15-G17 VanDerWaalsContact O-N 3.07Å; L15-I20 HydrophobicContact CB-CD1 4.29Å; L15-I20 HydrophobicContact CD2-CD1 3.46Å; L15-I20 VanDerWaalsContact CD2-CD1 3.46Å; L15-I20 HydrophobicContact CG-CD1 4.37Å; L15-L91 HydrophobicContact CD1-CB 4.43Å; L15-Y97 HydrophobicContact CD1-CD2 4.24Å; L15-Y97 HydrophobicContact CD1-CE2 3.81Å
16	P	35.3	Very low	37.2	Very low	99 Å²	99	75.8 Å²	75.8	64%	0.643	42%	0.416	S	S	*	.			trans	-74.1	102.3	176	30	-30	0	0	0	109	M14 T18	M14-P16 WeakPolarHBondContact O-CD 3.31Å; P16-T18 PolarHBondContact O-N 2.85Å; P16-T18 PolarHBondContact O-OG1 3.23Å; P16-T18 VanDerWaalsContact O-OG1 3.05Å
17	G	31.9	Very low	37.3	Very low	71 Å²	71	72.9 Å²	72.9	73%	0.732	40%	0.401	S	S	*	.	S	Bend	trans	53.1	3.9	151.9	0	0	0	0	0	120.6	L15	L15-G17 PolarHBondContact O-N 3.44Å; L15-G17 VanDerWaalsContact O-N 3.07Å
18	T	35.6	Very low	37.4	Very low	85 Å²	85	69.5 Å²	69.5	52%	0.521	38%	0.383	S	S	.	.	S	Bend	trans	-119.8	141.3	-174.5	51.4	0	0	0	0	110.6	P16 I20 I93	P16-T18 PolarHBondContact O-N 2.85Å; P16-T18 PolarHBondContact O-OG1 3.23Å; P16-T18 VanDerWaalsContact O-OG1 3.05Å; T18-I20 WeakPolarHBondContact O-CG1 3.38Å; T18-I20 PolarHBondContact O-N 2.87Å; T18-I20 VanDerWaalsContact O-N 3.13Å; T18-I93 WeakPolarHBondContact O-CD1 3.18Å
19	S	33.7	Very low	37.2	Very low	108 Å²	108	68.3 Å²	68.3	76%	0.755	38%	0.378	S	S	*	.			trans	-62.9	107.3	173.4	51	0	0	0	0	109.5
20	I	35.2	Very low	37.1	Very low	28 Å²	28	65.1 Å²	65.1	14%	0.144	37%	0.368	C	S	.	.			trans	-107.6	114.9	-179.1	-65	160.7	0	0	0	108	L15 T18 G22	L15-I20 HydrophobicContact CB-CD1 4.29Å; L15-I20 HydrophobicContact CD2-CD1 3.46Å; L15-I20 VanDerWaalsContact CD2-CD1 3.46Å; L15-I20 HydrophobicContact CG-CD1 4.37Å; T18-I20 WeakPolarHBondContact O-CG1 3.38Å; T18-I20 PolarHBondContact O-N 2.87Å; T18-I20 VanDerWaalsContact O-N 3.13Å; I20-G22 VanDerWaalsContact C-N 3.3Å; I20-G22 WeakPolarHBondContact CG2-O 3.44Å; I20-G22 PolarHBondContact O-N 3.35Å
21	P	35.5	Very low	37	Very low	74 Å²	74	60.3 Å²	60.3	48%	0.481	35%	0.352	S	S	.	.			trans	-70	-22.6	-178.6	-17.7	30.6	0	0	0	114.2
22	G	36.7	Very low	36.6	Very low	2 Å²	2	59.2 Å²	59.2	2%	0.021	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	164.4	174.4	0	0	0	0	0	114.5	I20 I88	I20-G22 VanDerWaalsContact C-N 3.3Å; I20-G22 WeakPolarHBondContact CG2-O 3.44Å; I20-G22 PolarHBondContact O-N 3.35Å; G22-I88 CarbonylContact C-O 3.57Å; G22-I88 WeakPolarHBondContact CA-O 3.41Å
23	L	43	Very low	36	Very low	6 Å²	6	61.3 Å²	61.3	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.2	174.8	-176.4	77.8	0	0	0	108.8	L13 I25 I88 L91 A119	L13-L23 HydrophobicContact CD1-CD2 3.53Å; L13-L23 HydrophobicContact CD2-CD1 3.92Å; L13-L23 HydrophobicContact CD2-CD2 4.06Å; L13-L23 HydrophobicContact CG-CD2 4.44Å; L23-I25 HydrophobicContact CD2-CD1 4.07Å; L23-I25 HydrophobicContact CD2-CG1 4.11Å; L23-I25 HydrophobicContact CG-CG1 4.29Å; L23-I88 HydrophobicContact CB-CB 4.43Å; L23-I88 PolarHBondContact N-O 2.84Å; L23-I88 PolarHBondContact O-N 3.46Å; L23-L91 HydrophobicContact CB-CD1 3.75Å; L23-A119 HydrophobicContact CD1-CB 4.31Å
24	Q	40	Very low	35.1	Very low	29 Å²	29	65 Å²	65	14%	0.136	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.7	174.8	-167.6	-175.7	54.9	0	0	109.5	F86 L87 A119 R120	Q24-F86 CarbonylContact C-O 3.5Å; Q24-F86 WeakPolarHBondContact CA-O 3.32Å; Q24-L87 HydrophobicContact CB-CD1 4.42Å; Q24-A119 CarbonylContact O-C 3.46Å; Q24-A119 VanDerWaalsContact O-CA 3.24Å; Q24-A119 WeakPolarHBondContact O-CA 3.48Å; Q24-R120 HydrophobicContact CB-CB 4.25Å; Q24-R120 PolarHBondContact N-O 2.86Å; Q24-R120 PolarHBondContact O-N 3.36Å
25	I	43.1	Very low	34.7	Very low	15 Å²	15	60.7 Å²	60.7	8%	0.077	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122	176.3	-55.5	-179.5	0	0	0	108	L23 L27 F86 I88 V99 I117 T118	L23-I25 HydrophobicContact CD2-CD1 4.07Å; L23-I25 HydrophobicContact CD2-CG1 4.11Å; L23-I25 HydrophobicContact CG-CG1 4.29Å; I25-L27 HydrophobicContact CG2-CG 4.42Å; I25-F86 PolarHBondContact N-O 2.8Å; I25-F86 PolarHBondContact O-N 3.43Å; I25-I88 HydrophobicContact CD1-CD1 3.61Å; I25-I88 HydrophobicContact CG1-CD1 4.39Å; I25-V99 HydrophobicContact CD1-CB 4.31Å; I25-V99 HydrophobicContact CD1-CG1 3.93Å; I25-V99 HydrophobicContact CD1-CG2 3.79Å; I25-I117 HydrophobicContact CG2-CG2 3.52Å; I25-T118 CarbonylContact C-O 3.57Å; I25-T118 WeakPolarHBondContact CA-O 3.39Å
26	K	37.6	Very low	33.9	Very low	92 Å²	92	69.6 Å²	69.6	40%	0.4	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.1	172.7	-175.6	173.5	-174.3	-177.8	0	108.9	I83 N85 I117 T118	K26-I83 HydrophobicContact CG-CG2 4.41Å; K26-N85 WeakPolarHBondContact CG-OD1 3.31Å; K26-I117 CarbonylContact O-C 3.59Å; K26-I117 VanDerWaalsContact O-CA 3.29Å; K26-I117 WeakPolarHBondContact O-CA 3.37Å; K26-T118 PolarHBondContact N-O 3.21Å; K26-T118 PolarHBondContact O-N 2.91Å
27	L	37	Very low	33.4	Very low	20 Å²	20	71 Å²	71	11%	0.105	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.4	175.7	-69.7	162.7	0	0	0	109.5	I25 I66 I101 I117	I25-L27 HydrophobicContact CG2-CG 4.42Å; L27-I66 HydrophobicContact CD1-CD1 3.53Å; L27-I101 HydrophobicContact CD1-CD1 3.93Å; L27-I101 HydrophobicContact CD2-CD1 3.26Å; L27-I101 HydrophobicContact CG-CD1 4.14Å; L27-I117 HydrophobicContact CD2-CB 4.37Å; L27-I117 HydrophobicContact CD2-CD1 3.9Å; L27-I117 HydrophobicContact CD2-CG1 3.61Å; L27-I117 HydrophobicContact CD2-CG2 4.23Å
28	G	34.4	Very low	33	Very low	18 Å²	18	73.7 Å²	73.7	19%	0.186	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.2	168.5	0	0	0	0	0	110.4	W115 N116	G28-W115 CarbonylContact O-C 3.5Å; G28-W115 VanDerWaalsContact O-CA 3.28Å; G28-W115 WeakPolarHBondContact O-CA 3.36Å; G28-N116 PolarHBondContact N-O 2.77Å; G28-N116 PolarHBondContact O-N 3.45Å
29	C	35.6	Very low	32.5	Very low	48 Å²	48	75.5 Å²	75.5	32%	0.324	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.1	170.3	-170.8	0	0	0	0	108.3	T31 I113 R114 W115	C29-T31 VanDerWaalsContact C-N 3.32Å; C29-T31 PolarHBondContact SG-O 3.45Å; C29-I113 WeakPolarHBondContact SG-CG2 3.42Å; C29-R114 CarbonylContact C-O 3.49Å; C29-R114 WeakPolarHBondContact CA-O 3.44Å; C29-W115 HydrophobicContact CB-CE3 3.93Å; C29-W115 HydrophobicContact CB-CH2 4.02Å; C29-W115 HydrophobicContact CB-CZ3 3.64Å
30	E	36.1	Very low	32.1	Very low	70 Å²	70	77.4 Å²	77.4	33%	0.327	43%	0.431	S	S	.	.	S	Bend	trans	-80.4	-10	-179.6	-69.3	-176.5	-174.8	0	0	112.9	R114 N116	E30-R114 HydrophobicContact CB-CB 3.7Å; E30-R114 HydrophobicContact CG-CB 3.96Å; E30-R114 PolarHBondContact N-O 2.85Å; E30-R114 VanDerWaalsContact OE2-CB 3.27Å; E30-R114 WeakPolarHBondContact OE2-CB 3.48Å; E30-R114 WeakPolarHBondContact OE2-CD 3.31Å; E30-R114 IonicContact OE2-CZ 2.85Å; E30-R114 IonicContact OE2-NE 2.62Å; E30-R114 PolarHBondContact OE2-NE 2.85Å; E30-R114 IonicContact OE2-NH1 3.03Å; E30-R114 PolarHBondContact OE2-NH1 3.31Å; E30-N116 PolarHBondContact OE1-ND2 3.08Å
31	T	33.2	Very low	31.8	Very low	58 Å²	58	82 Å²	82	36%	0.356	47%	0.466	S	S	.	.			trans	-115.7	112.6	174.3	27.2	0	0	0	0	110.5	C29 S112 I113	C29-T31 VanDerWaalsContact C-N 3.32Å; C29-T31 PolarHBondContact SG-O 3.45Å; T31-S112 PolarHBondContact OG1-O 3.37Å; T31-I113 WeakPolarHBondContact OG1-CA 3.25Å
32	V	28.2	Very low	31.3	Very low	134 Å²	134	81.7 Å²	81.7	81%	0.812	48%	0.477	S	S	*	.			trans	-97.9	114	172.3	179.2	0	0	0	0	107.6
33	I	26.6	Very low	30.8	Very low	115 Å²	115	87.8 Å²	87.8	59%	0.59	52%	0.519	S	S	*	.			trans	-95	115.5	161.5	-58.5	177.2	0	0	0	106.3	S35 T109	I33-S35 PolarHBondContact O-N 2.84Å; I33-T109 HydrophobicContact CD1-CG2 3.72Å
34	D	24.6	Very low	29.9	Very low	99 Å²	99	97.1 Å²	97.1	53%	0.529	56%	0.56	S	S	.	*			trans	-51	122.6	171.1	-179.9	4.3	0	0	0	109.3	R36	D34-R36 PolarHBondContact OD1-N 3.43Å; D34-R36 VanDerWaalsContact OD1-N 3.08Å; D34-R36 IonicContact OD1-NE 3.32Å; D34-R36 PolarHBondContact OD1-NE 2.69Å; D34-R36 IonicContact OD2-CZ 3.93Å; D34-R36 IonicContact OD2-NE 2.96Å; D34-R36 PolarHBondContact OD2-NE 2.87Å; D34-R36 IonicContact OD2-NH2 3.46Å; D34-R36 PolarHBondContact OD2-NH2 3.48Å
35	S	26.6	Very low	29.2	Very low	82 Å²	82	103.9 Å²	103.9	57%	0.573	60%	0.596	S	S	*	*			trans	-138.4	77.9	161.7	46.5	0	0	0	0	109.1	I33 C37	I33-S35 PolarHBondContact O-N 2.84Å; S35-C37 PolarHBondContact O-N 2.81Å
36	R	22.3	Very low	28.3	Very low	209 Å²	209	107.8 Å²	107.8	79%	0.789	63%	0.631	S	S	*	*			trans	-56.6	99.8	154.8	-76.6	172.4	-78.8	170.7	-4.5	109.7	D34	D34-R36 PolarHBondContact OD1-N 3.43Å; D34-R36 VanDerWaalsContact OD1-N 3.08Å; D34-R36 IonicContact OD1-NE 3.32Å; D34-R36 PolarHBondContact OD1-NE 2.69Å; D34-R36 IonicContact OD2-CZ 3.93Å; D34-R36 IonicContact OD2-NE 2.96Å; D34-R36 PolarHBondContact OD2-NE 2.87Å; D34-R36 IonicContact OD2-NH2 3.46Å; D34-R36 PolarHBondContact OD2-NH2 3.48Å
37	C	24.8	Very low	27.9	Very low	128 Å²	128	110.1 Å²	110.1	87%	0.865	65%	0.652	S	S	*	*			trans	-131.8	101.8	157.2	-92.2	0	0	0	0	109.8	S35	S35-C37 PolarHBondContact O-N 2.81Å
38	V	22.5	Very low	27.4	Very low	128 Å²	128	116.2 Å²	116.2	78%	0.776	69%	0.685	S	S	*	*			trans	-69.1	131.5	165.1	177.9	0	0	0	0	108.1
39	T	25.7	Very low	27	Very low	123 Å²	123	118.6 Å²	118.6	76%	0.755	70%	0.697	S	S	*	*				171.2	122.4	122.8	35.8	0	0	0	0	112.8
40	N	24.7	Very low	26.5	Very low	147 Å²	147	126.1 Å²	126.1	79%	0.786	73%	0.725	S	S	*	*			trans	34.6	135.4	138.8	-68.5	-14	0	0	0	122.8
41	S	30.3	Very low	26	Very low	125 Å²	125	129 Å²	129	87%	0.874	75%	0.751	S	S	*	*			trans	74.5	128.4	167.2	73.1	0	0	0	0	114.3
42	G	24.9	Very low	25.5	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	77%	0.773	S	S	*	*			cis	122.2	120.3	25	0	0	0	0	0	107.3
43	S	26.5	Very low	25.4	Very low	130 Å²	130	136 Å²	136	91%	0.909	77%	0.772	S	S	*	*			trans	92.9	127.9	170.6	73.9	0	0	0	0	120
44	F	22.9	Very low	25.3	Very low	202 Å²	202	134.7 Å²	134.7	89%	0.886	78%	0.778	S	S	*	*			trans	-71.7	158.4	172.7	-85.1	-109.9	0	0	0	112.2
45	L	26.3	Very low	25.4	Very low	170 Å²	170	135.3 Å²	135.3	89%	0.89	79%	0.79	S	S	*	*			trans	-173.1	132.5	134.1	-98.5	156	0	0	0	111.3
46	A	24	Very low	25.4	Very low	98 Å²	98	141.6 Å²	141.6	81%	0.81	81%	0.807	S	S	*	*			trans	-85.4	134.1	176.7	0	0	0	0	0	110.8
47	V	28.3	Very low	25.7	Very low	140 Å²	140	136.6 Å²	136.6	85%	0.848	80%	0.804	S	S	*	*			trans	-140.9	139.1	170.3	-168.9	0	0	0	0	110.7
48	D	26.6	Very low	25.7	Very low	148 Å²	148	138.3 Å²	138.3	79%	0.791	80%	0.804	S	S	*	*			trans	-45.8	140.7	-171.7	-146.8	-15.8	0	0	0	117.2
49	P	26.7	Very low	25.9	Very low	69 Å²	69	137.5 Å²	137.5	45%	0.448	80%	0.804	S	S	.	*			trans	-105.5	90.1	-175.8	36.3	-23.1	0	0	0	112.6
50	F	24.1	Very low	26.1	Very low	205 Å²	205	138.2 Å²	138.2	90%	0.899	81%	0.808	S	S	*	*			trans	-168.7	79.9	154	-93.3	-71.4	0	0	0	110.3
51	C	26.1	Very low	26.3	Very low	132 Å²	132	138.9 Å²	138.9	89%	0.892	81%	0.81	S	S	*	*			trans	-158.1	142.9	149.9	-120.8	0	0	0	0	113
52	K	23.6	Very low	26.4	Very low	185 Å²	185	135.2 Å²	135.2	80%	0.804	79%	0.787	S	S	*	*			trans	-56.2	176.6	176.8	-66.7	167.7	172.1	174.6	0	112
53	I	25.6	Very low	26.9	Very low	154 Å²	154	134.8 Å²	134.8	79%	0.79	77%	0.772	S	S	*	*			trans	99.3	98.9	159.9	-51.8	153.8	0	0	0	109.9
54	A	24.8	Very low	27.2	Very low	87 Å²	87	130.2 Å²	130.2	72%	0.719	74%	0.737	S	S	*	*				63.6	133.8	79.8	0	0	0	0	0	113
55	S	25.5	Very low	27.7	Very low	111 Å²	111	122.3 Å²	122.3	78%	0.776	71%	0.707	S	S	*	*			trans	64.3	97.7	178.2	62.7	0	0	0	0	117.7
56	F	27.7	Very low	28	Very low	214 Å²	214	114.9 Å²	114.9	94%	0.939	67%	0.668	S	S	*	*			trans	-135.9	132.3	142.2	-110.9	-88.1	0	0	0	109.6
57	S	28.2	Very low	28.4	Very low	104 Å²	104	111.9 Å²	111.9	73%	0.727	64%	0.641	S	S	*	*			trans	-87.6	146.4	-176	55.5	0	0	0	0	112.4
58	L	25.4	Very low	28.4	Very low	165 Å²	165	105.8 Å²	105.8	86%	0.864	60%	0.604	S	S	*	*	S	Bend	trans	10	138	163.2	-91.1	87.3	0	0	0	121.1
59	S	26.5	Very low	28.5	Very low	111 Å²	111	102.9 Å²	102.9	78%	0.776	59%	0.588	S	S	*	*			trans	83.8	132.8	172.1	76.7	0	0	0	0	114.3
60	V	29	Very low	28.7	Very low	137 Å²	137	100.9 Å²	100.9	83%	0.83	57%	0.574	S	S	*	*			trans	96.2	95.5	-173.7	-166.2	0	0	0	0	114.4	A62	V60-A62 PolarHBondContact O-N 3.36Å
61	I	29.5	Very low	29.1	Very low	161 Å²	161	94.2 Å²	94.2	83%	0.826	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-73.7	117.6	167.9	-65	170.8	0	0	0	107.4
62	A	31.9	Very low	29.5	Very low	49 Å²	49	96.7 Å²	96.7	41%	0.405	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-102.4	159.9	-167.6	0	0	0	0	0	113.3	V60	V60-A62 PolarHBondContact O-N 3.36Å
63	P	35	Very low	30.3	Very low	58 Å²	58	91.9 Å²	91.9	38%	0.377	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-88.8	169.3	-161.9	4.1	15.9	0	0	0	114.8	F79	P63-F79 WeakPolarHBondContact CB-O 3.46Å
64	L	33.2	Very low	31.1	Very low	34 Å²	34	88.1 Å²	88.1	18%	0.178	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-51	141.1	171.7	-84.7	116.6	0	0	0	112.9	F79 I101 A103 W115	L64-F79 HydrophobicContact CB-CB 4.18Å; L64-F79 HydrophobicContact CB-CD2 4.3Å; L64-F79 PolarHBondContact O-N 3.48Å; L64-I101 HydrophobicContact CD2-CG2 4.48Å; L64-A103 HydrophobicContact CD2-CB 3.63Å; L64-A103 HydrophobicContact CG-CB 4.01Å; L64-W115 HydrophobicContact CD1-CH2 3.75Å; L64-W115 HydrophobicContact CD2-CH2 3.59Å; L64-W115 HydrophobicContact CD2-CZ2 4.01Å; L64-W115 HydrophobicContact CD2-CZ3 4.18Å; L64-W115 HydrophobicContact CG-CH2 4.26Å
65	C	34.4	Very low	32	Very low	37 Å²	37	90.9 Å²	90.9	25%	0.25	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.4	-177.5	-151	0	0	0	0	108.6	Y78 C102	C65-Y78 VanDerWaalsContact SG-CE1 3.5Å; C65-C102 PolarHBondContact N-O 3.37Å; C65-C102 WeakPolarHBondContact O-CA 3.22Å; C65-C102 VanDerWaalsContact O-CB 3.28Å; C65-C102 WeakPolarHBondContact O-CB 3.25Å; C65-C102 PolarHBondContact O-N 2.81Å
66	I	33.1	Very low	32.8	Very low	14 Å²	14	88.2 Å²	88.2	7%	0.072	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.2	169.7	-66.2	-176.5	0	0	0	108.3	L27 V76 I77 F79 H100 I101	L27-I66 HydrophobicContact CD1-CD1 3.53Å; I66-V76 CarbonylContact O-C 3.53Å; I66-V76 VanDerWaalsContact O-CA 3.26Å; I66-V76 WeakPolarHBondContact O-CA 3.42Å; I66-I77 PolarHBondContact N-O 3.27Å; I66-I77 PolarHBondContact O-N 3.4Å; I66-F79 HydrophobicContact CB-CE2 3.73Å; I66-F79 HydrophobicContact CB-CZ 4.41Å; I66-F79 HydrophobicContact CD1-CD2 4.14Å; I66-F79 HydrophobicContact CD1-CE1 4.37Å; I66-F79 HydrophobicContact CD1-CE2 3.19Å; I66-F79 HydrophobicContact CD1-CZ 3.32Å; I66-F79 HydrophobicContact CG1-CD2 4.07Å; I66-F79 HydrophobicContact CG1-CE2 3.29Å; I66-F79 HydrophobicContact CG1-CZ 3.98Å; I66-H100 WeakPolarHBondContact CG2-O 3.45Å; I66-I101 HydrophobicContact CD1-CB 4.46Å; I66-I101 HydrophobicContact CD1-CD1 4.18Å; I66-I101 HydrophobicContact CD1-CG1 3.99Å; I66-I101 HydrophobicContact CD1-CG2 4.07Å; I66-I101 HydrophobicContact CG1-CB 4.26Å; I66-I101 HydrophobicContact CG1-CG1 4.19Å; I66-I101 HydrophobicContact CG1-CG2 3.93Å
67	S	31.2	Very low	33.7	Very low	35 Å²	35	80.2 Å²	80.2	25%	0.245	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112	168.5	157.2	0	0	0	0	108	L69 H100	S67-L69 PolarHBondContact O-N 2.87Å; S67-H100 PolarHBondContact N-O 3.28Å; S67-H100 VanDerWaalsContact N-O 3.13Å; S67-H100 WeakPolarHBondContact O-CB 3.3Å; S67-H100 PolarHBondContact O-N 3.38Å
68	C	28.6	Very low	34.4	Very low	12 Å²	12	83.2 Å²	83.2	8%	0.081	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.2	170	-149	0	0	0	0	108.6	L70 K75	C68-L70 PolarHBondContact O-N 2.8Å; C68-L70 VanDerWaalsContact O-N 3.16Å; C68-K75 PolarHBondContact N-O 3.33Å; C68-K75 PolarHBondContact O-N 2.84Å
69	L	28.7	Very low	35.3	Very low	86 Å²	86	76.6 Å²	76.6	45%	0.45	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	87.4	170.7	-90.5	155.5	0	0	0	107.9	S67 S98	S67-L69 PolarHBondContact O-N 2.87Å; L69-S98 PolarHBondContact N-O 3.43Å
70	L	30.4	Very low	36.3	Very low	28 Å²	28	79.6 Å²	79.6	15%	0.147	43%	0.425	C	S	.	.			trans	-84	128.9	160.4	-70.4	143.7	0	0	0	106.9	C68 H72 T73 L91 Y97	C68-L70 PolarHBondContact O-N 2.8Å; C68-L70 VanDerWaalsContact O-N 3.16Å; L70-H72 PolarHBondContact O-N 3Å; L70-T73 VanDerWaalsContact CB-O 3.31Å; L70-T73 WeakPolarHBondContact CB-O 3.36Å; L70-T73 WeakPolarHBondContact CB-OG1 3.32Å; L70-T73 WeakPolarHBondContact CD1-O 3.49Å; L70-T73 PolarHBondContact O-N 3.48Å; L70-T73 VanDerWaalsContact O-N 3.08Å; L70-L91 HydrophobicContact CD2-CD2 4.22Å; L70-Y97 HydrophobicContact CD2-CD1 3.26Å; L70-Y97 HydrophobicContact CD2-CE1 3.23Å; L70-Y97 HydrophobicContact CG-CD1 4.37Å
71	S	33.3	Very low	37.1	Very low	64 Å²	64	79 Å²	79	45%	0.448	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	110.4	159.8	58.1	0	0	0	0	107.4
72	H	33.7	Very low	38	Very low	185 Å²	185	76.8 Å²	76.8	86%	0.856	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	0.3	-178.4	-51.7	-68.3	0	0	0	120.3	L70	L70-H72 PolarHBondContact O-N 3Å
73	T	39.7	Very low	38.9	Very low	84 Å²	84	80.4 Å²	80.4	52%	0.515	42%	0.422	S	S	.	.			trans	-152.9	92.2	172.2	39.8	0	0	0	0	113.8	L70 K75	L70-T73 VanDerWaalsContact CB-O 3.31Å; L70-T73 WeakPolarHBondContact CB-O 3.36Å; L70-T73 WeakPolarHBondContact CB-OG1 3.32Å; L70-T73 WeakPolarHBondContact CD1-O 3.49Å; L70-T73 PolarHBondContact O-N 3.48Å; L70-T73 VanDerWaalsContact O-N 3.08Å; T73-K75 PolarHBondContact O-N 3.46Å
74	T	43.8	Very low	39.7	Very low	75 Å²	75	79.3 Å²	79.3	46%	0.46	42%	0.416	S	S	.	.			trans	-66.9	117.7	172.4	-48.1	0	0	0	0	109.9	V76	T74-V76 HydrophobicContact CG2-CG2 4.17Å
75	K	42.6	Very low	40.5	Very low	145 Å²	145	82.3 Å²	82.3	63%	0.63	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.5	166.7	-83.9	-173.3	176.1	179.8	0	109.2	C68 T73	C68-K75 PolarHBondContact N-O 3.33Å; C68-K75 PolarHBondContact O-N 2.84Å; T73-K75 PolarHBondContact O-N 3.46Å
76	V	43.5	Very low	41.5	Very low	55 Å²	55	84.2 Å²	84.2	33%	0.333	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.3	174.2	-176.7	0	0	0	0	108.9	I66 T74 Y78	I66-V76 CarbonylContact O-C 3.53Å; I66-V76 VanDerWaalsContact O-CA 3.26Å; I66-V76 WeakPolarHBondContact O-CA 3.42Å; T74-V76 HydrophobicContact CG2-CG2 4.17Å; V76-Y78 HydrophobicContact CG1-CE2 4.03Å
77	I	46.2	Very low	42.4	Very low	46 Å²	46	86.6 Å²	86.6	24%	0.236	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132	179	-61	150.9	0	0	0	108.7	I66 F79 F86	I66-I77 PolarHBondContact N-O 3.27Å; I66-I77 PolarHBondContact O-N 3.4Å; I77-F79 HydrophobicContact CB-CE2 4.27Å; I77-F79 HydrophobicContact CB-CZ 4.38Å; I77-F79 HydrophobicContact CG2-CE1 4.46Å; I77-F79 HydrophobicContact CG2-CE2 3.96Å; I77-F79 HydrophobicContact CG2-CZ 3.82Å; I77-F79 WeakPolarHBondContact O-CE2 3.37Å; I77-F86 HydrophobicContact CD1-CD1 4.08Å; I77-F86 HydrophobicContact CD1-CE1 3.3Å; I77-F86 HydrophobicContact CD1-CE2 4.06Å; I77-F86 HydrophobicContact CD1-CZ 3.3Å; I77-F86 HydrophobicContact CG1-CE1 4.39Å; I77-F86 HydrophobicContact CG1-CZ 3.94Å; I77-F86 HydrophobicContact CG2-CE2 3.71Å; I77-F86 HydrophobicContact CG2-CZ 3.91Å
78	Y	42.8	Very low	43.8	Very low	166 Å²	166	86.2 Å²	86.2	65%	0.651	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.6	179.3	-61.8	-88.6	0	0	0	110.8	C65 V76	C65-Y78 VanDerWaalsContact SG-CE1 3.5Å; V76-Y78 HydrophobicContact CG1-CE2 4.03Å
79	F	44.9	Very low	45.2	Very low	26 Å²	26	92.7 Å²	92.7	11%	0.114	47%	0.471	C	S	.	.			trans	-117.4	137.9	-176.5	-62.4	-93.7	0	0	0	112.8	P63 L64 I66 I77 S84 F86	P63-F79 WeakPolarHBondContact CB-O 3.46Å; L64-F79 HydrophobicContact CB-CB 4.18Å; L64-F79 HydrophobicContact CB-CD2 4.3Å; L64-F79 PolarHBondContact O-N 3.48Å; I66-F79 HydrophobicContact CB-CE2 3.73Å; I66-F79 HydrophobicContact CB-CZ 4.41Å; I66-F79 HydrophobicContact CD1-CD2 4.14Å; I66-F79 HydrophobicContact CD1-CE1 4.37Å; I66-F79 HydrophobicContact CD1-CE2 3.19Å; I66-F79 HydrophobicContact CD1-CZ 3.32Å; I66-F79 HydrophobicContact CG1-CD2 4.07Å; I66-F79 HydrophobicContact CG1-CE2 3.29Å; I66-F79 HydrophobicContact CG1-CZ 3.98Å; I77-F79 HydrophobicContact CB-CE2 4.27Å; I77-F79 HydrophobicContact CB-CZ 4.38Å; I77-F79 HydrophobicContact CG2-CE1 4.46Å; I77-F79 HydrophobicContact CG2-CE2 3.96Å; I77-F79 HydrophobicContact CG2-CZ 3.82Å; I77-F79 WeakPolarHBondContact O-CE2 3.37Å; F79-S84 WeakPolarHBondContact CD1-OG 3.42Å; F79-F86 HydrophobicContact CE1-CD2 4.23Å; F79-F86 HydrophobicContact CZ-CD2 4.38Å
80	Q	46	Very low	46.5	Very low	174 Å²	174	91.8 Å²	91.8	81%	0.813	48%	0.482	S	S	*	.			trans	-105.6	110.4	162.1	-82.9	-178.2	-25.8	0	0	110.3	T82	Q80-T82 PolarHBondContact O-N 2.73Å; Q80-T82 PolarHBondContact O-OG1 3.33Å
81	N	46.2	Very low	48	Very low	124 Å²	124	91.4 Å²	91.4	66%	0.663	48%	0.48	S	S	*	.	S	Bend	trans	24.1	39.2	155.4	-123.3	9.7	0	0	0	122.7
82	T	49.1	Very low	48.7	Very low	116 Å²	116	92 Å²	92	71%	0.712	48%	0.481	S	S	*	.	S	Bend	trans	-149.3	150.5	167.4	43	0	0	0	0	111.6	Q80 S84	Q80-T82 PolarHBondContact O-N 2.73Å; Q80-T82 PolarHBondContact O-OG1 3.33Å; T82-S84 PolarHBondContact O-N 2.77Å; T82-S84 PolarHBondContact O-OG 2.77Å
83	I	49.9	Very low	49.2	Very low	124 Å²	124	87.3 Å²	87.3	64%	0.636	46%	0.461	S	S	*	.			trans	-48.4	111.6	174.4	-60.6	169.4	0	0	0	108.3	K26	K26-I83 HydrophobicContact CG-CG2 4.41Å
84	S	53.5	Low	49.4	Very low	35 Å²	35	86.9 Å²	86.9	25%	0.245	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.8	-177	25.7	0	0	0	0	109.2	F79 T82	F79-S84 WeakPolarHBondContact CD1-OG 3.42Å; T82-S84 PolarHBondContact O-N 2.77Å; T82-S84 PolarHBondContact O-OG 2.77Å
85	N	49.7	Very low	49.6	Very low	97 Å²	97	87.8 Å²	87.8	52%	0.519	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.6	169.9	-64.2	-37.3	0	0	0	107.9	K26	K26-N85 WeakPolarHBondContact CG-OD1 3.31Å
86	F	54.1	Low	49.8	Very low	78 Å²	78	89.7 Å²	89.7	34%	0.342	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130	177.5	-139.6	-85.6	0	0	0	111.2	Q24 I25 I77 F79	Q24-F86 CarbonylContact C-O 3.5Å; Q24-F86 WeakPolarHBondContact CA-O 3.32Å; I25-F86 PolarHBondContact N-O 2.8Å; I25-F86 PolarHBondContact O-N 3.43Å; I77-F86 HydrophobicContact CD1-CD1 4.08Å; I77-F86 HydrophobicContact CD1-CE1 3.3Å; I77-F86 HydrophobicContact CD1-CE2 4.06Å; I77-F86 HydrophobicContact CD1-CZ 3.3Å; I77-F86 HydrophobicContact CG1-CE1 4.39Å; I77-F86 HydrophobicContact CG1-CZ 3.94Å; I77-F86 HydrophobicContact CG2-CE2 3.71Å; I77-F86 HydrophobicContact CG2-CZ 3.91Å; F79-F86 HydrophobicContact CE1-CD2 4.23Å; F79-F86 HydrophobicContact CZ-CD2 4.38Å
87	L	52.6	Low	50.1	Low	63 Å²	63	87.7 Å²	87.7	33%	0.33	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111	175.6	-178.1	64.2	0	0	0	110	Q24 K89	Q24-L87 HydrophobicContact CB-CD1 4.42Å; L87-K89 HydrophobicContact CD2-CD 4.36Å; L87-K89 HydrophobicContact CD2-CG 4.11Å; L87-K89 HydrophobicContact CG-CG 4.02Å; L87-K89 PolarHBondContact O-N 2.75Å
88	I	60.8	Low	50.1	Low	28 Å²	28	86.7 Å²	86.7	14%	0.144	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.5	173.5	-55.3	178.5	0	0	0	108.1	G22 L23 I25 L91 V99	G22-I88 CarbonylContact C-O 3.57Å; G22-I88 WeakPolarHBondContact CA-O 3.41Å; L23-I88 HydrophobicContact CB-CB 4.43Å; L23-I88 PolarHBondContact N-O 2.84Å; L23-I88 PolarHBondContact O-N 3.46Å; I25-I88 HydrophobicContact CD1-CD1 3.61Å; I25-I88 HydrophobicContact CG1-CD1 4.39Å; I88-L91 HydrophobicContact CG2-CD1 4.33Å; I88-L91 HydrophobicContact CG2-CD2 3.89Å; I88-L91 HydrophobicContact CG2-CG 4.13Å; I88-V99 HydrophobicContact CD1-CG2 4.03Å
89	K	57	Low	50.6	Low	147 Å²	147	79.7 Å²	79.7	64%	0.639	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	160.9	173.2	-60.3	-172.1	179.4	-172.1	0	111.1	L87	L87-K89 HydrophobicContact CD2-CD 4.36Å; L87-K89 HydrophobicContact CD2-CG 4.11Å; L87-K89 HydrophobicContact CG-CG 4.02Å; L87-K89 PolarHBondContact O-N 2.75Å
90	G	57	Low	50.7	Low	67 Å²	67	79.3 Å²	79.3	69%	0.691	43%	0.433	S	S	*	.			trans	85.1	19.4	170.9	0	0	0	0	0	115.4	T92	G90-T92 PolarHBondContact O-N 3.15Å
91	L	61.2	Low	51	Low	21 Å²	21	71.7 Å²	71.7	11%	0.11	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-74.8	119.7	173.7	-58.5	175	0	0	0	109.6	L15 L23 L70 I88 Y97	L15-L91 HydrophobicContact CD1-CB 4.43Å; L23-L91 HydrophobicContact CB-CD1 3.75Å; L70-L91 HydrophobicContact CD2-CD2 4.22Å; I88-L91 HydrophobicContact CG2-CD1 4.33Å; I88-L91 HydrophobicContact CG2-CD2 3.89Å; I88-L91 HydrophobicContact CG2-CG 4.13Å; L91-Y97 HydrophobicContact CB-CE2 3.96Å; L91-Y97 HydrophobicContact CD2-CD1 3.62Å; L91-Y97 HydrophobicContact CD2-CD2 3.88Å; L91-Y97 HydrophobicContact CD2-CE1 3.58Å; L91-Y97 HydrophobicContact CD2-CE2 3.86Å; L91-Y97 HydrophobicContact CD2-CG 3.76Å; L91-Y97 HydrophobicContact CG-CE2 4.43Å
92	T	48.7	Very low	51	Low	75 Å²	75	66.4 Å²	66.4	46%	0.46	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-85.3	142.7	171.6	59.3	0	0	0	0	111.6	G90 H95 Y97	G90-T92 PolarHBondContact O-N 3.15Å; T92-H95 PolarHBondContact OG1-ND1 2.99Å; T92-Y97 WeakPolarHBondContact CA-OH 3.41Å; T92-Y97 PolarHBondContact N-OH 2.76Å; T92-Y97 WeakPolarHBondContact O-CE2 3.23Å; T92-Y97 PolarHBondContact O-OH 3.27Å; T92-Y97 PolarHBondContact OG1-OH 2.85Å
93	I	45.1	Very low	50.9	Low	87 Å²	87	61.9 Å²	61.9	45%	0.446	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	147.3	173.8	-60.6	172.9	0	0	0	109.5	T18 H95	T18-I93 WeakPolarHBondContact O-CD1 3.18Å; I93-H95 VanDerWaalsContact C-N 3.29Å; I93-H95 PolarHBondContact O-N 3.47Å; I93-H95 PolarHBondContact O-ND1 3.45Å
94	G	43.3	Very low	50.8	Low	76 Å²	76	60.7 Å²	60.7	78%	0.784	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-3.7	176.2	0	0	0	0	0	115.3
95	H	48.5	Very low	50.5	Low	93 Å²	93	64.7 Å²	64.7	43%	0.431	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-102.6	144.7	176.8	-67.8	70.3	0	0	0	111	T92 I93 Y97	T92-H95 PolarHBondContact OG1-ND1 2.99Å; I93-H95 VanDerWaalsContact C-N 3.29Å; I93-H95 PolarHBondContact O-N 3.47Å; I93-H95 PolarHBondContact O-ND1 3.45Å; H95-Y97 HydrophobicContact CB-CE1 4.31Å; H95-Y97 HydrophobicContact CB-CE2 4.02Å; H95-Y97 WeakPolarHBondContact CB-OH 3.3Å; H95-Y97 WeakPolarHBondContact O-CD2 3.34Å; H95-Y97 WeakPolarHBondContact O-CE2 3.22Å
96	R	45.2	Very low	50.4	Low	185 Å²	185	62.6 Å²	62.6	70%	0.698	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-94.8	120.3	177.8	-165.4	174.6	-176	165.6	1	109
97	Y	50.5	Low	50.1	Low	14 Å²	14	64.9 Å²	64.9	6%	0.055	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-101.4	147	178.1	-57.6	-74.5	0	0	0	110.8	Y11 L15 L70 L91 T92 H95	Y11-Y97 VanDerWaalsContact O-O 3.08Å; L15-Y97 HydrophobicContact CD1-CD2 4.24Å; L15-Y97 HydrophobicContact CD1-CE2 3.81Å; L70-Y97 HydrophobicContact CD2-CD1 3.26Å; L70-Y97 HydrophobicContact CD2-CE1 3.23Å; L70-Y97 HydrophobicContact CG-CD1 4.37Å; L91-Y97 HydrophobicContact CB-CE2 3.96Å; L91-Y97 HydrophobicContact CD2-CD1 3.62Å; L91-Y97 HydrophobicContact CD2-CD2 3.88Å; L91-Y97 HydrophobicContact CD2-CE1 3.58Å; L91-Y97 HydrophobicContact CD2-CE2 3.86Å; L91-Y97 HydrophobicContact CD2-CG 3.76Å; L91-Y97 HydrophobicContact CG-CE2 4.43Å; T92-Y97 WeakPolarHBondContact CA-OH 3.41Å; T92-Y97 PolarHBondContact N-OH 2.76Å; T92-Y97 WeakPolarHBondContact O-CE2 3.23Å; T92-Y97 PolarHBondContact O-OH 3.27Å; T92-Y97 PolarHBondContact OG1-OH 2.85Å; H95-Y97 HydrophobicContact CB-CE1 4.31Å; H95-Y97 HydrophobicContact CB-CE2 4.02Å; H95-Y97 WeakPolarHBondContact CB-OH 3.3Å; H95-Y97 WeakPolarHBondContact O-CD2 3.34Å; H95-Y97 WeakPolarHBondContact O-CE2 3.22Å
98	S	46.1	Very low	50.1	Low	25 Å²	25	66.5 Å²	66.5	18%	0.175	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.8	164.3	61.6	0	0	0	0	110.8	L69 H100	L69-S98 PolarHBondContact N-O 3.43Å; S98-H100 PolarHBondContact OG-CD2 3.32Å; S98-H100 PolarHBondContact OG-NE2 3.05Å
99	V	53.3	Low	49.6	Very low	18 Å²	18	67.3 Å²	67.3	11%	0.109	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.8	174	-179.5	0	0	0	0	107.3	I25 I88 I101	I25-V99 HydrophobicContact CD1-CB 4.31Å; I25-V99 HydrophobicContact CD1-CG1 3.93Å; I25-V99 HydrophobicContact CD1-CG2 3.79Å; I88-V99 HydrophobicContact CD1-CG2 4.03Å; V99-I101 HydrophobicContact CG1-CG1 4.19Å
100	H	47.2	Very low	48.8	Very low	19 Å²	19	68.9 Å²	68.9	9%	0.088	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.4	177.8	-63.2	-114	0	0	0	109.4	T7 I66 S67 S98	T7-H100 VanDerWaalsContact CG2-ND1 3.31Å; T7-H100 WeakPolarHBondContact CG2-ND1 3.28Å; I66-H100 WeakPolarHBondContact CG2-O 3.45Å; S67-H100 PolarHBondContact N-O 3.28Å; S67-H100 VanDerWaalsContact N-O 3.13Å; S67-H100 WeakPolarHBondContact O-CB 3.3Å; S67-H100 PolarHBondContact O-N 3.38Å; S98-H100 PolarHBondContact OG-CD2 3.32Å; S98-H100 PolarHBondContact OG-NE2 3.05Å
101	I	52.8	Low	48.2	Very low	14 Å²	14	68.3 Å²	68.3	7%	0.072	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.1	178.7	-50.5	-171.3	0	0	0	108.1	V8 L27 L64 I66 V99 I117	V8-I101 WeakPolarHBondContact CG2-O 3.19Å; L27-I101 HydrophobicContact CD1-CD1 3.93Å; L27-I101 HydrophobicContact CD2-CD1 3.26Å; L27-I101 HydrophobicContact CG-CD1 4.14Å; L64-I101 HydrophobicContact CD2-CG2 4.48Å; I66-I101 HydrophobicContact CD1-CB 4.46Å; I66-I101 HydrophobicContact CD1-CD1 4.18Å; I66-I101 HydrophobicContact CD1-CG1 3.99Å; I66-I101 HydrophobicContact CD1-CG2 4.07Å; I66-I101 HydrophobicContact CG1-CB 4.26Å; I66-I101 HydrophobicContact CG1-CG1 4.19Å; I66-I101 HydrophobicContact CG1-CG2 3.93Å; V99-I101 HydrophobicContact CG1-CG1 4.19Å; I101-I117 HydrophobicContact CD1-CD1 3.56Å
102	C	46.2	Very low	47.3	Very low	12 Å²	12	71.1 Å²	71.1	8%	0.081	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.2	177.9	-54.9	0	0	0	0	109.5	C5 C65	C5-C102 PolarHBondContact SG-SG 3.3Å; C65-C102 PolarHBondContact N-O 3.37Å; C65-C102 WeakPolarHBondContact O-CA 3.22Å; C65-C102 VanDerWaalsContact O-CB 3.28Å; C65-C102 WeakPolarHBondContact O-CB 3.25Å; C65-C102 PolarHBondContact O-N 2.81Å
103	A	47.1	Very low	47	Very low	22 Å²	22	70.3 Å²	70.3	18%	0.182	39%	0.389	C	S	.	.			trans	-106.1	140.4	172.3	0	0	0	0	0	109.4	L64 W115	L64-A103 HydrophobicContact CD2-CB 3.63Å; L64-A103 HydrophobicContact CG-CB 4.01Å; A103-W115 HydrophobicContact CB-CZ2 3.94Å
104	I	47.4	Very low	47	Very low	98 Å²	98	73.4 Å²	73.4	50%	0.503	40%	0.395	S	S	.	.			trans	-101.5	119.7	167.5	-56.5	175.9	0	0	0	105.7
105	Y	47.8	Very low	47	Very low	119 Å²	119	73.6 Å²	73.6	47%	0.467	37%	0.373	S	S	.	.			trans	-132.3	157.9	176.5	60.7	-87.6	0	0	0	109.9	I113	Y105-I113 HydrophobicContact CD1-CD1 4.33Å; Y105-I113 HydrophobicContact CG-CD1 4.08Å
106	D	46.1	Very low	46.6	Very low	54 Å²	54	72.1 Å²	72.1	29%	0.289	37%	0.368	S	S	.	.			trans	-78	132.5	175.5	-168.8	-38.2	0	0	0	109.3	M1 S108 T109	M1-D106 HydrophobicContact CE-CB 4.42Å; M1-D106 VanDerWaalsContact CE-CG 3.49Å; M1-D106 WeakPolarHBondContact CE-OD2 2.95Å; D106-S108 PolarHBondContact O-N 2.79Å; D106-S108 PolarHBondContact OD1-N 2.7Å; D106-S108 PolarHBondContact OD1-OG 3.07Å; D106-T109 PolarHBondContact O-N 2.8Å; D106-T109 PolarHBondContact O-OG1 2.79Å
107	E	48.2	Very low	46.6	Very low	126 Å²	126	66.8 Å²	66.8	59%	0.589	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55	-23.8	177.7	-86.5	176.7	150.4	0	0	112.9	T109	E107-T109 PolarHBondContact O-N 3.45Å
108	S	52.9	Low	46	Very low	96 Å²	96	68.7 Å²	68.7	67%	0.671	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-71.5	-10.2	175.2	58.9	0	0	0	0	114.8	D106	D106-S108 PolarHBondContact O-N 2.79Å; D106-S108 PolarHBondContact OD1-N 2.7Å; D106-S108 PolarHBondContact OD1-OG 3.07Å
109	T	51.2	Low	45.7	Very low	45 Å²	45	70.3 Å²	70.3	28%	0.276	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-96.9	31.3	-178.3	52.8	0	0	0	0	114.2	I33 D106 E107 G111	I33-T109 HydrophobicContact CD1-CG2 3.72Å; D106-T109 PolarHBondContact O-N 2.8Å; D106-T109 PolarHBondContact O-OG1 2.79Å; E107-T109 PolarHBondContact O-N 3.45Å; T109-G111 PolarHBondContact O-N 3.35Å
110	E	39.1	Very low	45.2	Very low	181 Å²	181	73.6 Å²	73.6	85%	0.846	39%	0.391	S	S	*	.			trans	-56.5	8	-176.7	-98.3	-175.3	161.4	0	0	117.4	S112	E110-S112 PolarHBondContact O-N 2.95Å
111	G	44.5	Very low	44.9	Very low	54 Å²	54	78.4 Å²	78.4	56%	0.557	41%	0.413	S	S	*	.	S	Bend	trans	-82.6	91.8	170.3	0	0	0	0	0	113.4	T109 I113	T109-G111 PolarHBondContact O-N 3.35Å; G111-I113 PolarHBondContact O-N 2.81Å
112	S	42.4	Very low	44	Very low	80 Å²	80	81.8 Å²	81.8	56%	0.559	43%	0.429	S	S	*	.			trans	23.9	83.6	164.1	78.5	0	0	0	0	117.2	T31 E110 R114	T31-S112 PolarHBondContact OG1-O 3.37Å; E110-S112 PolarHBondContact O-N 2.95Å; S112-R114 PolarHBondContact O-N 2.89Å; S112-R114 VanDerWaalsContact O-N 3.09Å
113	I	43.1	Very low	43.3	Very low	58 Å²	58	86.6 Å²	86.6	30%	0.297	46%	0.458	S	S	.	.			trans	-72.3	103.3	163.6	-51.9	180	0	0	0	108.7	C29 T31 Y105 G111 W115	C29-I113 WeakPolarHBondContact SG-CG2 3.42Å; T31-I113 WeakPolarHBondContact OG1-CA 3.25Å; Y105-I113 HydrophobicContact CD1-CD1 4.33Å; Y105-I113 HydrophobicContact CG-CD1 4.08Å; G111-I113 PolarHBondContact O-N 2.81Å; I113-W115 HydrophobicContact CG2-CD2 4.31Å; I113-W115 VanDerWaalsContact CG2-CE2 3.44Å; I113-W115 HydrophobicContact CG2-CZ2 3.62Å
114	R	44.5	Very low	42.4	Very low	152 Å²	152	91.4 Å²	91.4	57%	0.574	48%	0.48	S	S	*	.			trans	-91.2	125.5	174.8	-111.4	-174.2	-81.1	156.3	-19.8	109.9	C29 E30 S112	C29-R114 CarbonylContact C-O 3.49Å; C29-R114 WeakPolarHBondContact CA-O 3.44Å; E30-R114 HydrophobicContact CB-CB 3.7Å; E30-R114 HydrophobicContact CG-CB 3.96Å; E30-R114 PolarHBondContact N-O 2.85Å; E30-R114 VanDerWaalsContact OE2-CB 3.27Å; E30-R114 WeakPolarHBondContact OE2-CB 3.48Å; E30-R114 WeakPolarHBondContact OE2-CD 3.31Å; E30-R114 IonicContact OE2-CZ 2.85Å; E30-R114 IonicContact OE2-NE 2.62Å; E30-R114 PolarHBondContact OE2-NE 2.85Å; E30-R114 IonicContact OE2-NH1 3.03Å; E30-R114 PolarHBondContact OE2-NH1 3.31Å; S112-R114 PolarHBondContact O-N 2.89Å; S112-R114 VanDerWaalsContact O-N 3.09Å
115	W	43.8	Very low	41.5	Very low	81 Å²	81	94.3 Å²	94.3	31%	0.307	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.2	177	-61.1	91.8	0	0	0	110.2	G28 C29 L64 A103 I113	G28-W115 CarbonylContact O-C 3.5Å; G28-W115 VanDerWaalsContact O-CA 3.28Å; G28-W115 WeakPolarHBondContact O-CA 3.36Å; C29-W115 HydrophobicContact CB-CE3 3.93Å; C29-W115 HydrophobicContact CB-CH2 4.02Å; C29-W115 HydrophobicContact CB-CZ3 3.64Å; L64-W115 HydrophobicContact CD1-CH2 3.75Å; L64-W115 HydrophobicContact CD2-CH2 3.59Å; L64-W115 HydrophobicContact CD2-CZ2 4.01Å; L64-W115 HydrophobicContact CD2-CZ3 4.18Å; L64-W115 HydrophobicContact CG-CH2 4.26Å; A103-W115 HydrophobicContact CB-CZ2 3.94Å; I113-W115 HydrophobicContact CG2-CD2 4.31Å; I113-W115 VanDerWaalsContact CG2-CE2 3.44Å; I113-W115 HydrophobicContact CG2-CZ2 3.62Å
116	N	39.5	Very low	40.8	Very low	61 Å²	61	91 Å²	91	33%	0.326	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118	165.7	-80.9	-42.5	0	0	0	108.7	G28 E30 K362	G28-N116 PolarHBondContact N-O 2.77Å; G28-N116 PolarHBondContact O-N 3.45Å; E30-N116 PolarHBondContact OE1-ND2 3.08Å; N116-K362 PolarHBondContact OD1-NZ 2.93Å
117	I	44.1	Very low	40.1	Very low	74 Å²	74	93.9 Å²	93.9	38%	0.379	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.3	171.9	-47.5	-174.6	0	0	0	108.3	I25 K26 L27 I101	I25-I117 HydrophobicContact CG2-CG2 3.52Å; K26-I117 CarbonylContact O-C 3.59Å; K26-I117 VanDerWaalsContact O-CA 3.29Å; K26-I117 WeakPolarHBondContact O-CA 3.37Å; L27-I117 HydrophobicContact CD2-CB 4.37Å; L27-I117 HydrophobicContact CD2-CD1 3.9Å; L27-I117 HydrophobicContact CD2-CG1 3.61Å; L27-I117 HydrophobicContact CD2-CG2 4.23Å; I101-I117 HydrophobicContact CD1-CD1 3.56Å
118	T	39.8	Very low	39.4	Very low	53 Å²	53	93.6 Å²	93.6	33%	0.325	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.3	169.6	1.4	0	0	0	0	108.9	I25 K26	I25-T118 CarbonylContact C-O 3.57Å; I25-T118 WeakPolarHBondContact CA-O 3.39Å; K26-T118 PolarHBondContact N-O 3.21Å; K26-T118 PolarHBondContact O-N 2.91Å
119	A	39.4	Very low	38.4	Very low	60 Å²	60	96.6 Å²	96.6	50%	0.496	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.6	171.7	0	0	0	0	0	109.7	L23 Q24	L23-A119 HydrophobicContact CD1-CB 4.31Å; Q24-A119 CarbonylContact O-C 3.46Å; Q24-A119 VanDerWaalsContact O-CA 3.24Å; Q24-A119 WeakPolarHBondContact O-CA 3.48Å
120	R	41.3	Very low	37.3	Very low	86 Å²	86	103.3 Å²	103.3	33%	0.325	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	147.7	174.9	-74.2	-175.4	-178.4	168.6	3.5	111.1	Q24 Y394	Q24-R120 HydrophobicContact CB-CB 4.25Å; Q24-R120 PolarHBondContact N-O 2.86Å; Q24-R120 PolarHBondContact O-N 3.36Å; R120-Y394 PolarHBondContact NH2-OH 3.31Å; R120-Y394 VanDerWaalsContact NH2-OH 3.14Å
121	H	41.3	Very low	37.1	Very low	121 Å²	121	103.1 Å²	103.1	56%	0.56	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.9	121.9	163.2	-55.7	99.9	0	0	0	107.1
122	E	34.7	Very low	36.3	Very low	84 Å²	84	109.9 Å²	109.9	39%	0.393	58%	0.576	S	S	.	*			trans	-105.8	125.5	170.5	-106	172.2	177.6	0	0	108.6
123	V	30.2	Very low	35.8	Very low	114 Å²	114	115.2 Å²	115.2	69%	0.691	60%	0.595	S	S	*	*			trans	-94.4	100.2	162.8	-176.2	0	0	0	0	105.8	L125	V123-L125 HydrophobicContact CG1-CD1 4.37Å; V123-L125 HydrophobicContact CG1-CG 4.12Å; V123-L125 PolarHBondContact O-N 2.86Å; V123-L125 VanDerWaalsContact O-N 3.08Å
124	D	30.1	Very low	35.1	Very low	123 Å²	123	119.9 Å²	119.9	66%	0.658	62%	0.62	S	S	*	*			trans	-75.7	94	176.9	-155.6	1.6	0	0	0	108.6	G126	D124-G126 VanDerWaalsContact C-N 3.27Å; D124-G126 PolarHBondContact O-N 3.15Å
125	L	27.7	Very low	34.7	Very low	159 Å²	159	122.3 Å²	122.3	83%	0.832	64%	0.637	S	S	*	*			trans	-93.4	61.5	167.7	-76	163.8	0	0	0	108.5	V123	V123-L125 HydrophobicContact CG1-CD1 4.37Å; V123-L125 HydrophobicContact CG1-CG 4.12Å; V123-L125 PolarHBondContact O-N 2.86Å; V123-L125 VanDerWaalsContact O-N 3.08Å
126	G	32.1	Very low	34.4	Very low	48 Å²	48	121.6 Å²	121.6	50%	0.495	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-66.8	142.5	168.7	0	0	0	0	0	110.8	D124	D124-G126 VanDerWaalsContact C-N 3.27Å; D124-G126 PolarHBondContact O-N 3.15Å
127	P	31.9	Very low	34.4	Very low	115 Å²	115	124 Å²	124	75%	0.747	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-63.9	144.3	175.9	27.7	-32.1	0	0	0	109.8	I129	P127-I129 PolarHBondContact O-N 3.44Å; P127-I129 VanDerWaalsContact O-N 3.15Å
128	P	34.6	Very low	34.4	Very low	121 Å²	121	125.3 Å²	125.3	79%	0.786	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-64.6	120.3	178.6	25.1	-30.4	0	0	0	109.7	H130	P128-H130 PolarHBondContact O-N 2.92Å
129	I	31.2	Very low	35	Very low	159 Å²	159	129 Å²	129	82%	0.815	72%	0.715	S	S	*	*			trans	-60.5	114.3	169.7	-63.2	168.8	0	0	0	107.5	P127	P127-I129 PolarHBondContact O-N 3.44Å; P127-I129 VanDerWaalsContact O-N 3.15Å
130	H	29	Very low	35.4	Very low	185 Å²	185	131.2 Å²	131.2	86%	0.856	72%	0.724	S	S	*	*			trans	-97.9	96.1	173.3	-132.9	-52.6	0	0	0	108.4	P128	P128-H130 PolarHBondContact O-N 2.92Å
131	E	33.3	Very low	35.8	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	74%	0.742	S	S	*	*			trans	-93.7	135.5	171.8	-122.6	177.2	179.6	0	0	110.6
132	K	29.2	Very low	36.4	Very low	196 Å²	196	134.6 Å²	134.6	85%	0.852	75%	0.753	S	S	*	*			trans	-72	136.9	-172.4	-72.5	170	173.6	172.1	0	111.9
133	M	30.7	Very low	37.5	Very low	191 Å²	191	133.9 Å²	133.9	94%	0.941	76%	0.761	S	S	*	*			trans	-131	132.8	145.7	-81	-164	-177.3	0	0	110.8
134	L	29.5	Very low	38.8	Very low	157 Å²	157	136.2 Å²	136.2	82%	0.822	76%	0.762	S	S	*	*			trans	-52.5	142.8	178	-78.5	73.9	0	0	0	112.1
135	H	35.5	Very low	40.4	Very low	202 Å²	202	138 Å²	138	94%	0.935	76%	0.764	S	S	*	*			trans	-146.5	132.4	133.6	-96.3	-57.2	0	0	0	110.7
136	G	37.5	Very low	42.7	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	75%	0.748	S	S	*	*			trans	-81.4	160	-177.7	0	0	0	0	0	114.2
137	S	38.4	Very low	45	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	75%	0.752	S	S	*	*			trans	56.8	104.9	149.7	76.3	0	0	0	0	119.9
138	S	45.1	Very low	47.3	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	74%	0.735	S	S	*	*				95.4	107.1	118.1	-53.5	0	0	0	0	119.7
139	T	52.3	Low	49.6	Very low	131 Å²	131	131.5 Å²	131.5	80%	0.804	72%	0.718	S	S	*	*			trans	87.8	140.3	139.9	57.7	0	0	0	0	119.4
140	P	47	Very low	52.2	Low	107 Å²	107	128.9 Å²	128.9	70%	0.695	71%	0.706	S	S	*	*				-120.5	134.9	-117.9	37.1	-25	0	0	0	113.3
141	H	50.9	Low	55	Low	149 Å²	149	124.9 Å²	124.9	69%	0.69	69%	0.69	S	S	*	*			trans	-128.7	102	167.1	-65.4	-60	0	0	0	109.4	A143 F144	H141-A143 PolarHBondContact O-N 2.88Å; H141-F144 HydrophobicContact CB-CD2 4.46Å; H141-F144 PolarHBondContact O-N 2.72Å; H141-F144 VanDerWaalsContact O-N 3.14Å
142	T	54.4	Low	57.6	Low	129 Å²	129	121.4 Å²	121.4	79%	0.791	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-10.2	-179.2	39.5	0	0	0	0	114.8
143	A	56.6	Low	60.5	Low	69 Å²	69	117.6 Å²	117.6	57%	0.57	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-23.1	175.2	0	0	0	0	0	113.9	H141 F145	H141-A143 PolarHBondContact O-N 2.88Å; A143-F145 PolarHBondContact O-N 3.18Å
144	F	58.7	Low	63.3	Low	162 Å²	162	113.7 Å²	113.7	71%	0.711	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-17.7	-170.9	-99.1	-86.5	0	0	0	115.1	H141 P148	H141-F144 HydrophobicContact CB-CD2 4.46Å; H141-F144 PolarHBondContact O-N 2.72Å; H141-F144 VanDerWaalsContact O-N 3.14Å; F144-P148 WeakPolarHBondContact O-CD 3.29Å; F144-P148 WeakPolarHBondContact O-CG 3.48Å
145	F	62.1	Low	66.1	Low	160 Å²	160	112.2 Å²	112.2	70%	0.702	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-22.2	179.3	-67.1	-76.4	0	0	0	113.8	A143 P148 T149	A143-F145 PolarHBondContact O-N 3.18Å; F145-P148 WeakPolarHBondContact O-CD 3.38Å; F145-T149 WeakPolarHBondContact O-CB 3.35Å; F145-T149 VanDerWaalsContact O-CG2 3.31Å; F145-T149 WeakPolarHBondContact O-CG2 3.11Å; F145-T149 PolarHBondContact O-N 3.15Å; F145-T149 VanDerWaalsContact O-N 3.17Å; F145-T149 PolarHBondContact O-OG1 3.43Å
146	V	76.5	Confident	68.5	Low	82 Å²	82	104.6 Å²	104.6	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-71.5	-39.6	-177	-176.6	0	0	0	0	111	T149 L150	V146-T149 WeakPolarHBondContact CA-OG1 3.25Å; V146-T149 PolarHBondContact O-OG1 3.13Å; V146-T149 VanDerWaalsContact O-OG1 3.08Å; V146-L150 HydrophobicContact CG1-CD1 3.8Å; V146-L150 HydrophobicContact CG1-CG 4.48Å; V146-L150 VanDerWaalsContact O-CB 3.31Å; V146-L150 WeakPolarHBondContact O-CB 3.48Å; V146-L150 WeakPolarHBondContact O-CG 3.27Å; V146-L150 PolarHBondContact O-N 3.05Å
147	V	80	Confident	71	Confident	94 Å²	94	108.3 Å²	108.3	57%	0.57	61%	0.606	S	S	*	*	H	α-helix	trans	-69.3	-47.1	-179.1	-176.7	0	0	0	0	112.3	L150 L151	V147-L150 PolarHBondContact O-N 3.43Å; V147-L151 HydrophobicContact CG1-CD1 4.16Å; V147-L151 WeakPolarHBondContact O-CB 3.47Å; V147-L151 WeakPolarHBondContact O-CG 3.45Å; V147-L151 PolarHBondContact O-N 3.17Å
148	P	81.2	Confident	73.3	Confident	61 Å²	61	106.1 Å²	106.1	40%	0.396	59%	0.59	S	S	.	*	H	α-helix	trans	-65.8	-38	176.1	-21	33	0	0	0	113.2	F144 F145 L151 I152	F144-P148 WeakPolarHBondContact O-CD 3.29Å; F144-P148 WeakPolarHBondContact O-CG 3.48Å; F145-P148 WeakPolarHBondContact O-CD 3.38Å; P148-L151 PolarHBondContact O-N 3.32Å; P148-I152 VanDerWaalsContact O-CG1 3.25Å; P148-I152 WeakPolarHBondContact O-CG1 3.32Å; P148-I152 PolarHBondContact O-N 3.42Å
149	T	82.1	Confident	75.2	Confident	71 Å²	71	104.4 Å²	104.4	44%	0.436	58%	0.578	S	S	.	*	H	α-helix	trans	-68	-40.5	177.6	48	0	0	0	0	111.9	F145 V146 L151 I152 L153	F145-T149 WeakPolarHBondContact O-CB 3.35Å; F145-T149 VanDerWaalsContact O-CG2 3.31Å; F145-T149 WeakPolarHBondContact O-CG2 3.11Å; F145-T149 PolarHBondContact O-N 3.15Å; F145-T149 VanDerWaalsContact O-N 3.17Å; F145-T149 PolarHBondContact O-OG1 3.43Å; V146-T149 WeakPolarHBondContact CA-OG1 3.25Å; V146-T149 PolarHBondContact O-OG1 3.13Å; V146-T149 VanDerWaalsContact O-OG1 3.08Å; T149-L151 VanDerWaalsContact C-N 3.34Å; T149-I152 PolarHBondContact O-N 2.94Å; T149-L153 WeakPolarHBondContact O-CB 3.44Å; T149-L153 WeakPolarHBondContact O-CG 3.47Å; T149-L153 PolarHBondContact O-N 2.82Å
150	L	87	Confident	76.8	Confident	104 Å²	104	103.7 Å²	103.7	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-62.1	-40.7	171.1	-80.9	166.5	0	0	0	111.8	V146 V147 L153 L154	V146-L150 HydrophobicContact CG1-CD1 3.8Å; V146-L150 HydrophobicContact CG1-CG 4.48Å; V146-L150 VanDerWaalsContact O-CB 3.31Å; V146-L150 WeakPolarHBondContact O-CB 3.48Å; V146-L150 WeakPolarHBondContact O-CG 3.27Å; V146-L150 PolarHBondContact O-N 3.05Å; V147-L150 PolarHBondContact O-N 3.43Å; L150-L153 PolarHBondContact O-N 2.94Å; L150-L154 WeakPolarHBondContact O-CB 3.35Å; L150-L154 PolarHBondContact O-N 3.01Å
151	L	87.3	Confident	78.6	Confident	100 Å²	100	103.3 Å²	103.3	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-40.5	175.7	-80.4	167.1	0	0	0	112.6	V147 P148 T149 L154 M155	V147-L151 HydrophobicContact CG1-CD1 4.16Å; V147-L151 WeakPolarHBondContact O-CB 3.47Å; V147-L151 WeakPolarHBondContact O-CG 3.45Å; V147-L151 PolarHBondContact O-N 3.17Å; P148-L151 PolarHBondContact O-N 3.32Å; T149-L151 VanDerWaalsContact C-N 3.34Å; L151-L154 PolarHBondContact O-N 3.17Å; L151-M155 WeakPolarHBondContact O-CB 3.46Å; L151-M155 WeakPolarHBondContact O-CG 3.19Å; L151-M155 PolarHBondContact O-N 3.08Å
152	I	87	Confident	80.3	Confident	105 Å²	105	100.2 Å²	100.2	54%	0.538	55%	0.547	S	S	.	.	H	α-helix	trans	-65.8	-44.7	176.1	-69.2	165.1	0	0	0	110.6	P148 T149 L154 M155 A156	P148-I152 VanDerWaalsContact O-CG1 3.25Å; P148-I152 WeakPolarHBondContact O-CG1 3.32Å; P148-I152 PolarHBondContact O-N 3.42Å; T149-I152 PolarHBondContact O-N 2.94Å; I152-L154 VanDerWaalsContact C-N 3.3Å; I152-L154 PolarHBondContact O-N 3.28Å; I152-M155 PolarHBondContact O-N 3.19Å; I152-A156 WeakPolarHBondContact O-CB 3.45Å; I152-A156 PolarHBondContact O-N 3.08Å
153	L	90	Very high	81.5	Confident	117 Å²	117	97.9 Å²	97.9	61%	0.613	53%	0.533	S	S	*	.	H	α-helix	trans	-63.1	-38	175.5	-73.3	171.3	0	0	0	111.5	T149 L150 A156 F157	T149-L153 WeakPolarHBondContact O-CB 3.44Å; T149-L153 WeakPolarHBondContact O-CG 3.47Å; T149-L153 PolarHBondContact O-N 2.82Å; L150-L153 PolarHBondContact O-N 2.94Å; L153-A156 PolarHBondContact O-N 2.91Å; L153-F157 VanDerWaalsContact O-CB 3.32Å; L153-F157 WeakPolarHBondContact O-CB 3.46Å; L153-F157 PolarHBondContact O-N 2.96Å
154	L	89.9	Confident	82.8	Confident	109 Å²	109	100.9 Å²	100.9	57%	0.571	53%	0.53	S	S	*	.	H	α-helix	trans	-69	-39.8	176.7	-157.4	129.3	0	0	0	111.3	L150 L151 I152 F157 C158	L150-L154 WeakPolarHBondContact O-CB 3.35Å; L150-L154 PolarHBondContact O-N 3.01Å; L151-L154 PolarHBondContact O-N 3.17Å; I152-L154 VanDerWaalsContact C-N 3.3Å; I152-L154 PolarHBondContact O-N 3.28Å; L154-F157 PolarHBondContact O-N 3.46Å; L154-C158 VanDerWaalsContact O-CB 3.31Å; L154-C158 WeakPolarHBondContact O-CB 3.34Å; L154-C158 PolarHBondContact O-N 2.85Å; L154-C158 PolarHBondContact O-SG 2.89Å
155	M	88.3	Confident	83.9	Confident	126 Å²	126	100.3 Å²	100.3	62%	0.621	52%	0.523	S	S	*	.	H	α-helix	trans	-65.9	-39.8	172.4	-74.2	-159	-62.6	0	0	112.7	L151 I152 C158 S159	L151-M155 WeakPolarHBondContact O-CB 3.46Å; L151-M155 WeakPolarHBondContact O-CG 3.19Å; L151-M155 PolarHBondContact O-N 3.08Å; I152-M155 PolarHBondContact O-N 3.19Å; M155-C158 PolarHBondContact O-N 3.23Å; M155-S159 WeakPolarHBondContact O-CB 3.47Å; M155-S159 PolarHBondContact O-N 3.01Å; M155-S159 PolarHBondContact O-OG 3.16Å
156	A	86.6	Confident	84.5	Confident	41 Å²	41	96.5 Å²	96.5	34%	0.339	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-43.2	173	0	0	0	0	0	111.2	I152 L153 S159 I160	I152-A156 WeakPolarHBondContact O-CB 3.45Å; I152-A156 PolarHBondContact O-N 3.08Å; L153-A156 PolarHBondContact O-N 2.91Å; A156-S159 VanDerWaalsContact CA-OG 3.3Å; A156-S159 WeakPolarHBondContact CA-OG 3.33Å; A156-S159 PolarHBondContact O-N 3.18Å; A156-S159 PolarHBondContact O-OG 3.41Å; A156-I160 WeakPolarHBondContact O-CB 3.45Å; A156-I160 WeakPolarHBondContact O-CG1 3.35Å; A156-I160 PolarHBondContact O-N 3.16Å
157	F	88.9	Confident	84.5	Confident	146 Å²	146	101.5 Å²	101.5	64%	0.64	53%	0.525	S	S	*	.	H	α-helix	trans	-67.5	-41.3	177.1	-163.3	-91.1	0	0	0	111.6	L153 L154 I160 F161	L153-F157 VanDerWaalsContact O-CB 3.32Å; L153-F157 WeakPolarHBondContact O-CB 3.46Å; L153-F157 PolarHBondContact O-N 2.96Å; L154-F157 PolarHBondContact O-N 3.46Å; F157-I160 PolarHBondContact O-N 2.76Å; F157-F161 WeakPolarHBondContact O-CB 3.24Å; F157-F161 PolarHBondContact O-N 3.44Å
158	C	88.1	Confident	84.2	Confident	65 Å²	65	104 Å²	104	44%	0.439	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-41.5	173.7	-74.4	0	0	0	0	111.8	L154 M155 F161 V162	L154-C158 VanDerWaalsContact O-CB 3.31Å; L154-C158 WeakPolarHBondContact O-CB 3.34Å; L154-C158 PolarHBondContact O-N 2.85Å; L154-C158 PolarHBondContact O-SG 2.89Å; M155-C158 PolarHBondContact O-N 3.23Å; C158-F161 PolarHBondContact O-N 3.46Å; C158-V162 WeakPolarHBondContact O-CB 3.31Å; C158-V162 VanDerWaalsContact O-CG2 3.23Å; C158-V162 WeakPolarHBondContact O-CG2 3.06Å; C158-V162 PolarHBondContact O-N 2.82Å
159	S	83.5	Confident	83.7	Confident	65 Å²	65	105.2 Å²	105.2	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-70.1	-41.2	177.9	42	0	0	0	0	112.1	M155 A156 F161 V162 V163	M155-S159 WeakPolarHBondContact O-CB 3.47Å; M155-S159 PolarHBondContact O-N 3.01Å; M155-S159 PolarHBondContact O-OG 3.16Å; A156-S159 VanDerWaalsContact CA-OG 3.3Å; A156-S159 WeakPolarHBondContact CA-OG 3.33Å; A156-S159 PolarHBondContact O-N 3.18Å; A156-S159 PolarHBondContact O-OG 3.41Å; S159-F161 VanDerWaalsContact C-N 3.32Å; S159-F161 PolarHBondContact O-N 2.72Å; S159-V162 PolarHBondContact O-N 2.95Å; S159-V163 WeakPolarHBondContact O-CB 3.4Å; S159-V163 VanDerWaalsContact O-CG2 3.3Å; S159-V163 WeakPolarHBondContact O-CG2 3.24Å; S159-V163 PolarHBondContact O-N 2.88Å
160	I	85.9	Confident	82.9	Confident	116 Å²	116	109.2 Å²	109.2	60%	0.595	54%	0.539	S	S	*	.	H	α-helix	trans	-60.8	-42.6	171	-68.2	165.7	0	0	0	110.5	A156 F157 V163 Y164	A156-I160 WeakPolarHBondContact O-CB 3.45Å; A156-I160 WeakPolarHBondContact O-CG1 3.35Å; A156-I160 PolarHBondContact O-N 3.16Å; F157-I160 PolarHBondContact O-N 2.76Å; I160-V163 PolarHBondContact O-N 2.87Å; I160-Y164 WeakPolarHBondContact O-CB 3.35Å; I160-Y164 PolarHBondContact O-N 3.26Å
161	F	86	Confident	81.9	Confident	98 Å²	98	112.4 Å²	112.4	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-39.8	178	-174.3	-98.5	0	0	0	112.1	F157 C158 S159 Y164 R165	F157-F161 WeakPolarHBondContact O-CB 3.24Å; F157-F161 PolarHBondContact O-N 3.44Å; C158-F161 PolarHBondContact O-N 3.46Å; S159-F161 VanDerWaalsContact C-N 3.32Å; S159-F161 PolarHBondContact O-N 2.72Å; F161-Y164 PolarHBondContact O-N 2.92Å; F161-R165 HydrophobicContact CE1-CG 4.36Å; F161-R165 WeakPolarHBondContact O-CB 3.5Å; F161-R165 PolarHBondContact O-N 3.29Å
162	V	85.4	Confident	80.9	Confident	85 Å²	85	113.7 Å²	113.7	52%	0.515	55%	0.55	S	S	.	*	H	α-helix	trans	-66	-45.1	174	169	0	0	0	0	110.5	C158 S159 Y164 R165 C166	C158-V162 WeakPolarHBondContact O-CB 3.31Å; C158-V162 VanDerWaalsContact O-CG2 3.23Å; C158-V162 WeakPolarHBondContact O-CG2 3.06Å; C158-V162 PolarHBondContact O-N 2.82Å; S159-V162 PolarHBondContact O-N 2.95Å; V162-Y164 VanDerWaalsContact C-N 3.34Å; V162-Y164 PolarHBondContact O-N 2.74Å; V162-R165 PolarHBondContact O-N 3.43Å; V162-C166 VanDerWaalsContact O-CB 3.28Å; V162-C166 WeakPolarHBondContact O-CB 3.46Å; V162-C166 PolarHBondContact O-N 3.22Å; V162-C166 PolarHBondContact O-SG 2.81Å; V162-C166 VanDerWaalsContact O-SG 3.33Å
163	V	81.3	Confident	79.5	Confident	80 Å²	80	110.8 Å²	110.8	49%	0.485	54%	0.539	S	S	.	.	H	α-helix	trans	-63.2	-41.6	175.4	170.7	0	0	0	0	110.9	S159 I160 C166 R167	S159-V163 WeakPolarHBondContact O-CB 3.4Å; S159-V163 VanDerWaalsContact O-CG2 3.3Å; S159-V163 WeakPolarHBondContact O-CG2 3.24Å; S159-V163 PolarHBondContact O-N 2.88Å; I160-V163 PolarHBondContact O-N 2.87Å; V163-C166 PolarHBondContact O-N 3.24Å; V163-R167 VanDerWaalsContact O-CB 3.29Å; V163-R167 WeakPolarHBondContact O-CB 3.33Å; V163-R167 PolarHBondContact O-N 3.28Å
164	Y	82.8	Confident	78	Confident	132 Å²	132	109.1 Å²	109.1	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-43.6	174.9	176.9	-96.9	0	0	0	111.3	I160 F161 V162 R167 R168	I160-Y164 WeakPolarHBondContact O-CB 3.35Å; I160-Y164 PolarHBondContact O-N 3.26Å; F161-Y164 PolarHBondContact O-N 2.92Å; V162-Y164 VanDerWaalsContact C-N 3.34Å; V162-Y164 PolarHBondContact O-N 2.74Å; Y164-R167 PolarHBondContact O-N 2.77Å; Y164-R168 VanDerWaalsContact O-CB 3.25Å; Y164-R168 WeakPolarHBondContact O-CB 3.5Å; Y164-R168 PolarHBondContact O-N 3.2Å
165	R	81.5	Confident	76.2	Confident	150 Å²	150	105.3 Å²	105.3	57%	0.566	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-46.7	175	-112.7	-157.7	152.8	105.4	-0.3	111.4	F161 V162 R167 R168 T169	F161-R165 HydrophobicContact CE1-CG 4.36Å; F161-R165 WeakPolarHBondContact O-CB 3.5Å; F161-R165 PolarHBondContact O-N 3.29Å; V162-R165 PolarHBondContact O-N 3.43Å; R165-R167 VanDerWaalsContact C-N 3.34Å; R165-R167 PolarHBondContact O-N 3.23Å; R165-R168 CarbonylContact O-C 3.6Å; R165-R168 PolarHBondContact O-N 2.95Å; R165-R168 VanDerWaalsContact O-N 3.15Å; R165-T169 WeakPolarHBondContact O-CB 3.48Å; R165-T169 PolarHBondContact O-N 2.82Å; R165-T169 PolarHBondContact O-OG1 3.14Å
166	C	75.9	Confident	74.4	Confident	79 Å²	79	105.3 Å²	105.3	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-59	-44.4	175.4	-75.9	0	0	0	0	111	V162 V163 Y170	V162-C166 VanDerWaalsContact O-CB 3.28Å; V162-C166 WeakPolarHBondContact O-CB 3.46Å; V162-C166 PolarHBondContact O-N 3.22Å; V162-C166 PolarHBondContact O-SG 2.81Å; V162-C166 VanDerWaalsContact O-SG 3.33Å; V163-C166 PolarHBondContact O-N 3.24Å; C166-Y170 WeakPolarHBondContact O-CB 3.24Å; C166-Y170 PolarHBondContact O-N 3.33Å
167	R	75.3	Confident	72.5	Confident	187 Å²	187	110.2 Å²	110.2	71%	0.706	54%	0.535	S	S	*	.	H	α-helix	trans	-62.7	-41.8	173.6	-88.6	-175.8	154.5	157.3	-4.6	112	V163 Y164 R165 Y170 K171	V163-R167 VanDerWaalsContact O-CB 3.29Å; V163-R167 WeakPolarHBondContact O-CB 3.33Å; V163-R167 PolarHBondContact O-N 3.28Å; Y164-R167 PolarHBondContact O-N 2.77Å; R165-R167 VanDerWaalsContact C-N 3.34Å; R165-R167 PolarHBondContact O-N 3.23Å; R167-Y170 PolarHBondContact O-N 2.68Å; R167-K171 WeakPolarHBondContact O-CB 3.35Å; R167-K171 PolarHBondContact O-N 3.37Å
168	R	73.9	Confident	70.4	Confident	147 Å²	147	107.2 Å²	107.2	56%	0.555	54%	0.537	S	S	*	.	H	α-helix	trans	-69.8	-41.5	179.4	-171.7	176.3	175.4	-178.9	-1.6	112	Y164 R165 K171 K172	Y164-R168 VanDerWaalsContact O-CB 3.25Å; Y164-R168 WeakPolarHBondContact O-CB 3.5Å; Y164-R168 PolarHBondContact O-N 3.2Å; R165-R168 CarbonylContact O-C 3.6Å; R165-R168 PolarHBondContact O-N 2.95Å; R165-R168 VanDerWaalsContact O-N 3.15Å; R168-K171 PolarHBondContact O-N 3.13Å; R168-K172 WeakPolarHBondContact O-CB 3.31Å; R168-K172 PolarHBondContact O-N 3.3Å
169	T	70.4	Confident	68.2	Low	86 Å²	86	111.9 Å²	111.9	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-66.8	-39.9	173.9	-47	0	0	0	0	110.1	R165 K172 S173	R165-T169 WeakPolarHBondContact O-CB 3.48Å; R165-T169 PolarHBondContact O-N 2.82Å; R165-T169 PolarHBondContact O-OG1 3.14Å; T169-K172 CarbonylContact O-C 3.58Å; T169-K172 PolarHBondContact O-N 2.95Å; T169-S173 WeakPolarHBondContact O-CB 3.26Å; T169-S173 PolarHBondContact O-N 2.8Å; T169-S173 PolarHBondContact O-OG 2.79Å
170	Y	65.3	Low	65.9	Low	156 Å²	156	113.1 Å²	113.1	61%	0.612	55%	0.554	S	S	*	*	H	α-helix	trans	-64.1	-42.5	173.9	-173.2	-105.9	0	0	0	112.1	C166 R167 K172 S173 I174	C166-Y170 WeakPolarHBondContact O-CB 3.24Å; C166-Y170 PolarHBondContact O-N 3.33Å; R167-Y170 PolarHBondContact O-N 2.68Å; Y170-K172 VanDerWaalsContact C-N 3.35Å; Y170-S173 VanDerWaalsContact CA-OG 3.25Å; Y170-S173 WeakPolarHBondContact CA-OG 3.45Å; Y170-S173 PolarHBondContact O-N 2.98Å; Y170-S173 PolarHBondContact O-OG 2.91Å; Y170-I174 HydrophobicContact CD1-CD1 3.88Å; Y170-I174 HydrophobicContact CD1-CG1 4.45Å; Y170-I174 HydrophobicContact CE1-CD1 3.23Å; Y170-I174 HydrophobicContact CE1-CG1 4.14Å; Y170-I174 HydrophobicContact CE2-CD1 4.23Å; Y170-I174 HydrophobicContact CE2-CG1 4.48Å; Y170-I174 VanDerWaalsContact CZ-CD1 3.44Å; Y170-I174 WeakPolarHBondContact O-CB 3.41Å; Y170-I174 WeakPolarHBondContact O-CG1 3.35Å; Y170-I174 PolarHBondContact O-N 3.05Å
171	K	66.7	Low	63.4	Low	170 Å²	170	112.7 Å²	112.7	74%	0.739	56%	0.559	S	S	*	*	H	α-helix	trans	-64.1	-38.8	173.5	-128	-178.2	-179.3	-175.2	0	111.5	R167 R168 G175	R167-K171 WeakPolarHBondContact O-CB 3.35Å; R167-K171 PolarHBondContact O-N 3.37Å; R168-K171 PolarHBondContact O-N 3.13Å; K171-G175 PolarHBondContact O-N 2.9Å
172	K	66.8	Low	60.8	Low	128 Å²	128	117.3 Å²	117.3	56%	0.557	58%	0.575	S	S	*	*	H	α-helix	trans	-66.2	-44.3	172.8	-96	-167.1	169.1	-160.8	0	112	R168 T169 Y170 G175 E176	R168-K172 WeakPolarHBondContact O-CB 3.31Å; R168-K172 PolarHBondContact O-N 3.3Å; T169-K172 CarbonylContact O-C 3.58Å; T169-K172 PolarHBondContact O-N 2.95Å; Y170-K172 VanDerWaalsContact C-N 3.35Å; K172-G175 CarbonylContact O-C 3.51Å; K172-G175 PolarHBondContact O-N 2.85Å; K172-E176 WeakPolarHBondContact O-CB 3.49Å; K172-E176 WeakPolarHBondContact O-CG 3.2Å; K172-E176 PolarHBondContact O-N 3.31Å
173	S	57.4	Low	58.2	Low	44 Å²	44	118.2 Å²	118.2	31%	0.308	58%	0.58	S	S	.	*	H	α-helix	trans	-69.4	-33.5	178	52.5	0	0	0	0	112.2	T169 Y170 L177	T169-S173 WeakPolarHBondContact O-CB 3.26Å; T169-S173 PolarHBondContact O-N 2.8Å; T169-S173 PolarHBondContact O-OG 2.79Å; Y170-S173 VanDerWaalsContact CA-OG 3.25Å; Y170-S173 WeakPolarHBondContact CA-OG 3.45Å; Y170-S173 PolarHBondContact O-N 2.98Å; Y170-S173 PolarHBondContact O-OG 2.91Å; S173-L177 VanDerWaalsContact O-CB 3.27Å; S173-L177 WeakPolarHBondContact O-CB 3.2Å; S173-L177 WeakPolarHBondContact O-CD1 3.32Å; S173-L177 PolarHBondContact O-N 3.2Å
174	I	58.1	Low	55.8	Low	82 Å²	82	120.2 Å²	120.2	42%	0.421	59%	0.592	S	S	.	*	H	α-helix	trans	-69.6	-37.6	170.4	-77.8	-172.1	0	0	0	111.2	Y170 L177 A178	Y170-I174 HydrophobicContact CD1-CD1 3.88Å; Y170-I174 HydrophobicContact CD1-CG1 4.45Å; Y170-I174 HydrophobicContact CE1-CD1 3.23Å; Y170-I174 HydrophobicContact CE1-CG1 4.14Å; Y170-I174 HydrophobicContact CE2-CD1 4.23Å; Y170-I174 HydrophobicContact CE2-CG1 4.48Å; Y170-I174 VanDerWaalsContact CZ-CD1 3.44Å; Y170-I174 WeakPolarHBondContact O-CB 3.41Å; Y170-I174 WeakPolarHBondContact O-CG1 3.35Å; Y170-I174 PolarHBondContact O-N 3.05Å; I174-L177 PolarHBondContact O-N 3.22Å; I174-A178 WeakPolarHBondContact O-CB 3.24Å; I174-A178 PolarHBondContact O-N 2.98Å
175	G	51.3	Low	53.2	Low	28 Å²	28	120.7 Å²	120.7	29%	0.289	60%	0.6	S	S	.	*	H	α-helix	trans	-63.4	-44.2	172.7	0	0	0	0	0	112.3	K171 K172 A178 E179	K171-G175 PolarHBondContact O-N 2.9Å; K172-G175 CarbonylContact O-C 3.51Å; K172-G175 PolarHBondContact O-N 2.85Å; G175-A178 CarbonylContact O-C 3.5Å; G175-A178 WeakPolarHBondContact O-CA 3.21Å; G175-A178 WeakPolarHBondContact O-CB 3.26Å; G175-A178 PolarHBondContact O-N 2.57Å; G175-A178 VanDerWaalsContact O-N 3.08Å; G175-E179 WeakPolarHBondContact O-CB 3.33Å; G175-E179 PolarHBondContact O-N 3.46Å
176	E	51	Low	50.7	Low	127 Å²	127	118.9 Å²	118.9	59%	0.593	61%	0.607	S	S	*	*	H	α-helix	trans	-71.6	-28	177.2	-73.5	169.9	-174.7	0	0	112.4	K172 A178	K172-E176 WeakPolarHBondContact O-CB 3.49Å; K172-E176 WeakPolarHBondContact O-CG 3.2Å; K172-E176 PolarHBondContact O-N 3.31Å; E176-A178 VanDerWaalsContact C-N 3.34Å
177	L	46.4	Very low	48.9	Very low	143 Å²	143	126 Å²	126	75%	0.749	62%	0.623	S	S	*	*	H	α-helix	trans	-74.2	-23.3	167.8	-92.5	144.6	0	0	0	112.8	S173 I174	S173-L177 VanDerWaalsContact O-CB 3.27Å; S173-L177 WeakPolarHBondContact O-CB 3.2Å; S173-L177 WeakPolarHBondContact O-CD1 3.32Å; S173-L177 PolarHBondContact O-N 3.2Å; I174-L177 PolarHBondContact O-N 3.22Å
178	A	46.2	Very low	47.8	Very low	84 Å²	84	128 Å²	128	69%	0.694	63%	0.63	S	S	*	*	H	α-helix	trans	-86.2	-18.9	173.5	0	0	0	0	0	112.9	I174 G175 E176	I174-A178 WeakPolarHBondContact O-CB 3.24Å; I174-A178 PolarHBondContact O-N 2.98Å; G175-A178 CarbonylContact O-C 3.5Å; G175-A178 WeakPolarHBondContact O-CA 3.21Å; G175-A178 WeakPolarHBondContact O-CB 3.26Å; G175-A178 PolarHBondContact O-N 2.57Å; G175-A178 VanDerWaalsContact O-N 3.08Å; E176-A178 VanDerWaalsContact C-N 3.34Å
179	E	42.3	Very low	47.3	Very low	162 Å²	162	128.4 Å²	128.4	76%	0.757	64%	0.636	S	S	*	*	S	Bend	trans	-103.8	10.3	-177.2	-78.7	-174.5	169.1	0	0	115	G175 P181	G175-E179 WeakPolarHBondContact O-CB 3.33Å; G175-E179 PolarHBondContact O-N 3.46Å; E179-P181 WeakPolarHBondContact O-CD 3.34Å
180	N	33.4	Very low	47.8	Very low	91 Å²	91	127 Å²	127	49%	0.487	63%	0.626	S	S	.	*			trans	-105	99.4	171.5	-164	-10.7	0	0	0	111.4	Y182	N180-Y182 PolarHBondContact O-N 3.48Å; N180-Y182 PolarHBondContact OD1-N 3.29Å
181	P	33.4	Very low	48.7	Very low	108 Å²	108	123.7 Å²	123.7	70%	0.701	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	4.2	-178.4	-11.9	28.4	0	0	0	114.1	E179	E179-P181 WeakPolarHBondContact O-CD 3.34Å
182	Y	33.1	Very low	49.7	Very low	195 Å²	195	116.5 Å²	116.5	77%	0.765	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	10.9	-168.6	-65.4	-75.8	0	0	0	115.8	N180 V184	N180-Y182 PolarHBondContact O-N 3.48Å; N180-Y182 PolarHBondContact OD1-N 3.29Å; Y182-V184 VanDerWaalsContact C-N 3.3Å; Y182-V184 PolarHBondContact O-N 3.19Å; Y182-V184 VanDerWaalsContact O-N 3.17Å
183	V	30.9	Very low	50.9	Low	103 Å²	103	112.6 Å²	112.6	62%	0.624	57%	0.568	S	S	*	*			trans	-86.2	80.5	160.9	-171.8	0	0	0	0	108.4	Q185	V183-Q185 HydrophobicContact CG1-CG 4.46Å; V183-Q185 PolarHBondContact O-N 2.91Å
184	V	30	Very low	52.5	Low	122 Å²	122	111.7 Å²	111.7	74%	0.739	56%	0.559	S	S	*	*			trans	-65.1	87.5	164.1	-177.7	0	0	0	0	106.7	Y182	Y182-V184 VanDerWaalsContact C-N 3.3Å; Y182-V184 PolarHBondContact O-N 3.19Å; Y182-V184 VanDerWaalsContact O-N 3.17Å
185	Q	29	Very low	54.1	Low	143 Å²	143	110.7 Å²	110.7	67%	0.668	56%	0.56	S	S	*	*			trans	-54.8	135.1	154.5	-67.2	-160.8	16.9	0	0	105.8	V183 R187	V183-Q185 HydrophobicContact CG1-CG 4.46Å; V183-Q185 PolarHBondContact O-N 2.91Å; Q185-R187 PolarHBondContact O-N 3.39Å
186	P	29	Very low	56	Low	112 Å²	112	112.7 Å²	112.7	73%	0.727	56%	0.558	S	S	*	*			trans	-52.2	116.4	174.9	22.3	-30.6	0	0	0	105.8	R188	P186-R188 VanDerWaalsContact C-N 3.32Å; P186-R188 PolarHBondContact O-N 2.93Å
187	R	36.4	Very low	57.9	Low	229 Å²	229	111.3 Å²	111.3	86%	0.864	56%	0.563	S	S	*	*			trans	-49	104.2	-177.6	-82.8	-174.2	174.4	-178.5	-2.9	105.4	Q185 F189	Q185-R187 PolarHBondContact O-N 3.39Å; R187-F189 PolarHBondContact O-N 3.32Å
188	R	53	Low	60	Low	227 Å²	227	108.1 Å²	108.1	86%	0.857	54%	0.543	S	S	*	.			trans	-56.3	116.9	173.8	-79.9	-175.5	175	177.1	-0.5	103.6	P186 D190	P186-R188 VanDerWaalsContact C-N 3.32Å; P186-R188 PolarHBondContact O-N 2.93Å; R188-D190 PolarHBondContact O-N 3.39Å
189	F	63.7	Low	62.2	Low	157 Å²	157	104.7 Å²	104.7	69%	0.689	51%	0.513	S	S	*	.			trans	-56.1	109.7	-177.6	-176.6	-89	0	0	0	107.4	R187 H191	R187-F189 PolarHBondContact O-N 3.32Å; F189-H191 AromaticContact CD1-CE1 3.58Å; F189-H191 AromaticContact CD1-CG 3.97Å; F189-H191 AromaticContact CD1-ND1 3.38Å; F189-H191 WeakPolarHBondContact CD1-ND1 3.41Å; F189-H191 AromaticContact CE1-ND1 3.57Å; F189-H191 PolarHBondContact O-N 3.1Å
190	D	81.3	Confident	64.7	Low	57 Å²	57	100.5 Å²	100.5	31%	0.305	50%	0.495	S	S	.	.			trans	-79.8	103	179.1	-171.5	-11.7	0	0	0	107.4	R188 W192 E193 K271	R188-D190 PolarHBondContact O-N 3.39Å; D190-W192 PolarHBondContact O-N 2.82Å; D190-W192 WeakPolarHBondContact OD1-CB 3.38Å; D190-W192 PolarHBondContact OD1-N 3.3Å; D190-E193 HydrophobicContact CB-CB 4.03Å; D190-E193 WeakPolarHBondContact O-CB 3.3Å; D190-E193 PolarHBondContact O-N 3.29Å; D190-K271 VanDerWaalsContact CG-NZ 3.33Å; D190-K271 IonicContact OD1-NZ 2.68Å; D190-K271 PolarHBondContact OD1-NZ 2.73Å; D190-K271 IonicContact OD2-NZ 3.97Å; D190-K271 PolarHBondContact OD2-NZ 2.87Å
191	H	83.5	Confident	67.6	Low	85 Å²	85	98 Å²	98	39%	0.394	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.4	-175.6	-63	-77	0	0	0	113.8	F189 M229	F189-H191 AromaticContact CD1-CE1 3.58Å; F189-H191 AromaticContact CD1-CG 3.97Å; F189-H191 AromaticContact CD1-ND1 3.38Å; F189-H191 WeakPolarHBondContact CD1-ND1 3.41Å; F189-H191 AromaticContact CE1-ND1 3.57Å; F189-H191 PolarHBondContact O-N 3.1Å; H191-M229 VanDerWaalsContact CD2-CE 3.45Å; H191-M229 WeakPolarHBondContact CD2-CE 3.48Å
192	W	88.8	Confident	70.6	Confident	19 Å²	19	96.1 Å²	96.1	7%	0.072	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-15.6	176.3	-61.6	97.3	0	0	0	113.3	D190 N227 K271 Y275 M282 A284 C285	D190-W192 PolarHBondContact O-N 2.82Å; D190-W192 WeakPolarHBondContact OD1-CB 3.38Å; D190-W192 PolarHBondContact OD1-N 3.3Å; W192-N227 HydrophobicContact CH2-CB 4.32Å; W192-N227 HydrophobicContact CZ2-CB 3.8Å; W192-K271 HydrophobicContact CD2-CG 4.34Å; W192-K271 HydrophobicContact CG-CD 4.14Å; W192-K271 HydrophobicContact CG-CG 4Å; W192-Y275 AromaticContact CH2-CE2 3.54Å; W192-Y275 HydrophobicContact CH2-CE2 3.54Å; W192-Y275 AromaticContact CH2-CZ 3.62Å; W192-Y275 VanDerWaalsContact CH2-OH 3.3Å; W192-Y275 WeakPolarHBondContact CH2-OH 3.36Å; W192-Y275 HydrophobicContact CZ2-CE2 4.41Å; W192-Y275 HydrophobicContact CZ3-CE2 4.31Å; W192-Y275 AromaticContact CZ3-CZ 3.94Å; W192-Y275 WeakPolarHBondContact CZ3-OH 3.37Å; W192-M282 HydrophobicContact CB-CE 3.97Å; W192-M282 HydrophobicContact CD2-CE 4.47Å; W192-M282 HydrophobicContact CE3-CE 4.39Å; W192-M282 HydrophobicContact CE3-CG 4.28Å; W192-M282 HydrophobicContact CE3-SD 4.49Å; W192-M282 HydrophobicContact CG-CE 4.33Å; W192-M282 HydrophobicContact CZ3-CG 4.38Å; W192-M282 VanDerWaalsContact CZ3-O 3.23Å; W192-M282 WeakPolarHBondContact CZ3-O 3.41Å; W192-A284 CarbonylContact O-C 3.47Å; W192-A284 VanDerWaalsContact O-CA 3.25Å; W192-A284 WeakPolarHBondContact O-CA 3.21Å; W192-A284 WeakPolarHBondContact O-CB 3.42Å; W192-C285 PolarHBondContact O-N 2.73Å
193	E	91.8	Very high	73.4	Confident	47 Å²	47	92.3 Å²	92.3	22%	0.22	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-76.1	131.8	-177.1	-166.4	70.3	-162.6	0	0	110.3	D190 C285 I286 T287 A288	D190-E193 HydrophobicContact CB-CB 4.03Å; D190-E193 WeakPolarHBondContact O-CB 3.3Å; D190-E193 PolarHBondContact O-N 3.29Å; E193-C285 WeakPolarHBondContact CA-O 3.23Å; E193-C285 PolarHBondContact OE2-SG 3.45Å; E193-I286 WeakPolarHBondContact OE1-CA 3.14Å; E193-T287 PolarHBondContact OE1-N 3.4Å; E193-T287 PolarHBondContact OE2-N 3.05Å; E193-T287 PolarHBondContact OE2-OG1 3.37Å; E193-A288 WeakPolarHBondContact OE1-CB 3.22Å; E193-A288 PolarHBondContact OE1-N 3.45Å
194	I	90.8	Very high	76.5	Confident	24 Å²	24	93.7 Å²	93.7	12%	0.123	46%	0.459	C	S	.	.			trans	-125.1	158.1	178.7	62.8	169	0	0	0	111.6	M220 A284 C285 I286 I295	I194-M220 HydrophobicContact CD1-CE 3.3Å; I194-M220 HydrophobicContact CD1-SD 3.7Å; I194-A284 HydrophobicContact CB-CB 4.48Å; I194-A284 HydrophobicContact CD1-CB 3.76Å; I194-A284 HydrophobicContact CG1-CB 3.98Å; I194-A284 HydrophobicContact CG2-CB 3.74Å; I194-C285 PolarHBondContact N-O 2.97Å; I194-C285 VanDerWaalsContact N-O 3.09Å; I194-I286 HydrophobicContact CD1-CG1 4.45Å; I194-I286 HydrophobicContact CG1-CD1 4.34Å; I194-I286 HydrophobicContact CG1-CG1 3.81Å; I194-I295 HydrophobicContact CD1-CD1 4.22Å
195	S	90.3	Very high	79.5	Confident	62 Å²	62	91.8 Å²	91.8	43%	0.434	44%	0.442	S	S	.	.			trans	-72.1	137.5	167.5	174.6	0	0	0	0	110.3	S197 K198	S195-S197 PolarHBondContact O-N 2.87Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S195-S197 PolarHBondContact OG-N 2.95Å; S195-S197 PolarHBondContact OG-OG 3.33Å; S195-K198 WeakPolarHBondContact O-CB 3.41Å; S195-K198 PolarHBondContact O-N 3.32Å
196	R	91.1	Very high	82.6	Confident	69 Å²	69	90.3 Å²	90.3	26%	0.26	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-54.2	-28.5	172.7	-171.6	176.4	-59.5	-69.1	-6.2	112.9	K198 L199 I286 D289 E290 P291 C293	R196-K198 PolarHBondContact O-N 2.84Å; R196-L199 WeakPolarHBondContact O-CB 3.44Å; R196-L199 PolarHBondContact O-N 2.94Å; R196-I286 HydrophobicContact CB-CD1 4.12Å; R196-I286 HydrophobicContact CG-CD1 4.4Å; R196-D289 PolarHBondContact NH2-O 3.41Å; R196-E290 PolarHBondContact NH2-O 3.27Å; R196-P291 PolarHBondContact NH2-O 3.28Å; R196-C293 PolarHBondContact NH1-SG 2.99Å
197	S	91.3	Very high	85.6	Confident	98 Å²	98	88.7 Å²	88.7	69%	0.685	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-62.4	-13.4	176.6	69.1	0	0	0	0	114.4	S195 L199	S195-S197 PolarHBondContact O-N 2.87Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S195-S197 PolarHBondContact OG-N 2.95Å; S195-S197 PolarHBondContact OG-OG 3.33Å; S197-L199 VanDerWaalsContact C-N 3.32Å
198	K	90.7	Very high	88	Confident	77 Å²	77	79.1 Å²	79.1	34%	0.335	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-87.8	-1.4	174.3	-63.8	-169	173.8	-172.5	0	113	S195 R196 M220 N221	S195-K198 WeakPolarHBondContact O-CB 3.41Å; S195-K198 PolarHBondContact O-N 3.32Å; R196-K198 PolarHBondContact O-N 2.84Å; K198-M220 HydrophobicContact CB-SD 4.01Å; K198-M220 VanDerWaalsContact O-SD 3.4Å; K198-N221 PolarHBondContact O-N 2.93Å
199	L	92.5	Very high	89.3	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.063	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.1	-167.6	-178	62.7	0	0	0	110.8	R196 S197 I201 I246 V248 I286 I295	R196-L199 WeakPolarHBondContact O-CB 3.44Å; R196-L199 PolarHBondContact O-N 2.94Å; S197-L199 VanDerWaalsContact C-N 3.32Å; L199-I201 HydrophobicContact CD1-CG1 4.37Å; L199-I201 HydrophobicContact CD2-CD1 3.7Å; L199-I201 HydrophobicContact CD2-CG1 3.72Å; L199-I201 HydrophobicContact CG-CD1 4.18Å; L199-I201 HydrophobicContact CG-CG1 3.64Å; L199-I246 HydrophobicContact CD1-CD1 3.13Å; L199-I246 HydrophobicContact CD1-CG1 4.35Å; L199-V248 HydrophobicContact CD1-CG2 3.89Å; L199-V248 HydrophobicContact CD2-CG1 4.13Å; L199-V248 HydrophobicContact CD2-CG2 4.25Å; L199-I286 HydrophobicContact CD2-CD1 3.91Å; L199-I295 HydrophobicContact CD2-CG1 4.32Å
200	D	94.8	Very high	89.5	Confident	73 Å²	73	66.6 Å²	66.6	39%	0.39	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.8	166.8	-64.1	-28.4	0	0	0	108.5	F202 G218 K219 N221	D200-F202 HydrophobicContact CB-CE1 4.16Å; D200-G218 CarbonylContact O-C 3.57Å; D200-G218 WeakPolarHBondContact O-CA 3.39Å; D200-K219 HydrophobicContact CB-CB 4.34Å; D200-K219 PolarHBondContact N-O 3.28Å; D200-K219 PolarHBondContact O-N 3.18Å; D200-N221 PolarHBondContact OD1-ND2 2.99Å; D200-N221 PolarHBondContact OD2-ND2 3.32Å; D200-N221 PolarHBondContact OD2-OD1 3.25Å
201	I	94.6	Very high	88.5	Confident	40 Å²	40	68.5 Å²	68.5	21%	0.205	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.3	179.5	-48.7	179.4	0	0	0	108.7	L199 L203 Y216 V248 M250	L199-I201 HydrophobicContact CD1-CG1 4.37Å; L199-I201 HydrophobicContact CD2-CD1 3.7Å; L199-I201 HydrophobicContact CD2-CG1 3.72Å; L199-I201 HydrophobicContact CG-CD1 4.18Å; L199-I201 HydrophobicContact CG-CG1 3.64Å; I201-L203 HydrophobicContact CB-CD2 4.48Å; I201-L203 HydrophobicContact CG2-CD2 3.84Å; I201-L203 PolarHBondContact O-N 2.98Å; I201-Y216 HydrophobicContact CG2-CG 4.26Å; I201-V248 HydrophobicContact CD1-CG1 4.15Å; I201-V248 HydrophobicContact CG1-CG2 4.49Å; I201-M250 HydrophobicContact CD1-CE 3.93Å; I201-M250 HydrophobicContact CD1-SD 3.66Å; I201-M250 HydrophobicContact CG2-SD 3.94Å
202	F	95.9	Very high	87.8	Confident	68 Å²	68	66 Å²	66	30%	0.298	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	86.5	177.7	-50	-39.7	0	0	0	109	D200 D204 Q205 K217 K219	D200-F202 HydrophobicContact CB-CE1 4.16Å; F202-D204 PolarHBondContact O-N 3.2Å; F202-Q205 HydrophobicContact CB-CB 4.03Å; F202-Q205 HydrophobicContact CB-CG 4.14Å; F202-Q205 PolarHBondContact O-N 3.18Å; F202-K217 WeakPolarHBondContact CB-O 3.45Å; F202-K217 HydrophobicContact CD2-CB 4.34Å; F202-K217 HydrophobicContact CD2-CG 4.3Å; F202-K217 PolarHBondContact N-O 2.88Å; F202-K219 HydrophobicContact CE2-CB 4.32Å; F202-K219 HydrophobicContact CZ-CB 3.82Å
203	L	93.1	Very high	87.3	Confident	115 Å²	115	65.7 Å²	65.7	60%	0.602	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	-19	-175.3	-63.7	178.1	0	0	0	113.7	I201 Q205 Y216 M250	I201-L203 HydrophobicContact CB-CD2 4.48Å; I201-L203 HydrophobicContact CG2-CD2 3.84Å; I201-L203 PolarHBondContact O-N 2.98Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Y216 HydrophobicContact CD2-CD1 4.41Å; L203-Y216 HydrophobicContact CD2-CD2 4.48Å; L203-Y216 HydrophobicContact CD2-CE1 4.38Å; L203-Y216 HydrophobicContact CD2-CE2 4.44Å; L203-Y216 HydrophobicContact CD2-CG 4.46Å; L203-Y216 VanDerWaalsContact O-CE1 3.31Å; L203-Y216 WeakPolarHBondContact O-CE1 3.3Å; L203-M250 HydrophobicContact CD2-SD 4.37Å
204	D	94.4	Very high	87.2	Confident	132 Å²	132	64.2 Å²	64.2	71%	0.706	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	-17.9	171.5	62.4	-47	0	0	0	113	F202	F202-D204 PolarHBondContact O-N 3.2Å
205	Q	94.4	Very high	87.3	Confident	81 Å²	81	64.6 Å²	64.6	38%	0.379	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	69.9	-178.2	-60	-175.6	21.8	0	0	111	F202 L203 L207 Y216 K217	F202-Q205 HydrophobicContact CB-CB 4.03Å; F202-Q205 HydrophobicContact CB-CG 4.14Å; F202-Q205 PolarHBondContact O-N 3.18Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; Q205-L207 PolarHBondContact O-N 2.97Å; Q205-Y216 WeakPolarHBondContact O-CA 3.43Å; Q205-K217 HydrophobicContact CB-CB 4Å; Q205-K217 PolarHBondContact O-N 2.94Å
206	K	93.7	Very high	87.6	Confident	112 Å²	112	63.9 Å²	63.9	49%	0.487	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120	173.6	-171.8	177.6	177.9	-177.6	0	110.3	G208 S209 A214 Y216	K206-G208 VanDerWaalsContact CE-O 3.28Å; K206-G208 WeakPolarHBondContact CE-O 3.28Å; K206-S209 WeakPolarHBondContact CE-OG 3.44Å; K206-S209 PolarHBondContact NZ-OG 3.39Å; K206-A214 HydrophobicContact CD-CB 4.45Å; K206-Y216 HydrophobicContact CB-CD1 4.04Å; K206-Y216 HydrophobicContact CB-CE1 3.85Å; K206-Y216 HydrophobicContact CG-CD1 4.41Å; K206-Y216 HydrophobicContact CG-CE1 4.08Å
207	L	92.1	Very high	87.9	Confident	79 Å²	79	62.1 Å²	62.1	41%	0.414	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-29.4	178.8	-60.5	177.2	0	0	0	112.4	Q205 V215 K217 A247 Y298	Q205-L207 PolarHBondContact O-N 2.97Å; L207-V215 HydrophobicContact CB-CB 4.41Å; L207-V215 HydrophobicContact CB-CG1 4.2Å; L207-V215 HydrophobicContact CD1-CG1 4.26Å; L207-V215 PolarHBondContact N-O 2.98Å; L207-K217 HydrophobicContact CD1-CB 4.1Å; L207-K217 HydrophobicContact CD2-CB 4.16Å; L207-K217 HydrophobicContact CG-CB 4.16Å; L207-A247 HydrophobicContact CD1-CB 3.92Å; L207-Y298 HydrophobicContact CD1-CD2 3.78Å; L207-Y298 HydrophobicContact CD1-CE2 3.65Å; L207-Y298 HydrophobicContact CD2-CE2 3.81Å; L207-Y298 HydrophobicContact CG-CE2 4.4Å
208	G	86.1	Confident	88.1	Confident	28 Å²	28	57.4 Å²	57.4	29%	0.289	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	179.9	-179.2	0	0	0	0	0	113.5	K206 A214 V215	K206-G208 VanDerWaalsContact CE-O 3.28Å; K206-G208 WeakPolarHBondContact CE-O 3.28Å; G208-A214 WeakPolarHBondContact O-CA 3.46Å; G208-V215 PolarHBondContact N-O 2.97Å; G208-V215 PolarHBondContact O-N 3.03Å
209	S	79.7	Confident	88.3	Confident	88 Å²	88	56.8 Å²	56.8	62%	0.615	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.5	169.7	-40	0	0	0	0	108.6	K206	K206-S209 WeakPolarHBondContact CE-OG 3.44Å; K206-S209 PolarHBondContact NZ-OG 3.39Å
210	G	67.8	Low	88.3	Confident	32 Å²	32	56.4 Å²	56.4	33%	0.33	32%	0.321	S	S	.	.			trans	-109.6	-173.6	174.8	0	0	0	0	0	112	F212 G213	G210-F212 PolarHBondContact O-N 3.03Å; G210-G213 PolarHBondContact N-O 3.35Å; G210-G213 PolarHBondContact O-N 3.07Å
211	A	61.9	Low	88.1	Confident	97 Å²	97	55.1 Å²	55.1	80%	0.802	31%	0.314	S	S	*	.	S	Bend	trans	-58.7	-31.1	-178.4	0	0	0	0	0	114.2
212	F	68.5	Low	87.5	Confident	33 Å²	33	54.7 Å²	54.7	15%	0.145	32%	0.319	C	S	.	.	S	Bend	trans	-96.1	-21.5	-178	-59.7	-65.5	0	0	0	113.9	G210 L251 P252 D262 F263 E266	G210-F212 PolarHBondContact O-N 3.03Å; F212-L251 HydrophobicContact CB-CD1 4.15Å; F212-L251 WeakPolarHBondContact O-CD1 3.41Å; F212-P252 WeakPolarHBondContact O-CD 3.44Å; F212-D262 HydrophobicContact CD1-CB 4.5Å; F212-D262 HydrophobicContact CE1-CB 3.44Å; F212-D262 VanDerWaalsContact CE1-CB 3.44Å; F212-D262 HydrophobicContact CZ-CB 3.85Å; F212-F263 HydrophobicContact CB-CD2 3.68Å; F212-F263 HydrophobicContact CB-CE2 4.24Å; F212-F263 HydrophobicContact CD1-CB 4.48Å; F212-F263 HydrophobicContact CD2-CD2 4.17Å; F212-F263 AromaticContact CG-CD2 3.9Å; F212-F263 HydrophobicContact CG-CD2 3.9Å; F212-E266 WeakPolarHBondContact CD2-OE2 3.26Å; F212-E266 WeakPolarHBondContact CE2-OE2 3.38Å
213	G	77.9	Confident	86.8	Confident	13 Å²	13	58 Å²	58	13%	0.134	33%	0.33	C	S	.	.			trans	160.2	-169.3	-173	0	0	0	0	0	113.5	G210 M250	G210-G213 PolarHBondContact N-O 3.35Å; G210-G213 PolarHBondContact O-N 3.07Å; G213-M250 WeakPolarHBondContact CA-O 3.29Å
214	A	89.7	Confident	85.9	Confident	15 Å²	15	52.9 Å²	52.9	12%	0.124	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	149.1	-176.9	0	0	0	0	0	111.8	K206 G208 Y216 M250	K206-A214 HydrophobicContact CD-CB 4.45Å; G208-A214 WeakPolarHBondContact O-CA 3.46Å; A214-Y216 HydrophobicContact CB-CD2 4.21Å; A214-Y216 HydrophobicContact CB-CE2 3.4Å; A214-M250 PolarHBondContact N-O 2.87Å; A214-M250 PolarHBondContact O-N 2.74Å
215	V	94	Very high	84.5	Confident	33 Å²	33	50.8 Å²	50.8	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.5	171.9	-174	0	0	0	0	107.8	L207 G208 A247 V248 K249	L207-V215 HydrophobicContact CB-CB 4.41Å; L207-V215 HydrophobicContact CB-CG1 4.2Å; L207-V215 HydrophobicContact CD1-CG1 4.26Å; L207-V215 PolarHBondContact N-O 2.98Å; G208-V215 PolarHBondContact N-O 2.97Å; G208-V215 PolarHBondContact O-N 3.03Å; V215-A247 HydrophobicContact CG1-CB 4.04Å; V215-V248 WeakPolarHBondContact CA-O 3.49Å; V215-K249 HydrophobicContact CG2-CB 4.15Å; V215-K249 HydrophobicContact CG2-CG 3.97Å
216	Y	96	Very high	83	Confident	47 Å²	47	47 Å²	47	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.8	179	-64.3	-86.4	0	0	0	110.8	I201 L203 Q205 K206 A214 A247 V248 M250	I201-Y216 HydrophobicContact CG2-CG 4.26Å; L203-Y216 HydrophobicContact CD2-CD1 4.41Å; L203-Y216 HydrophobicContact CD2-CD2 4.48Å; L203-Y216 HydrophobicContact CD2-CE1 4.38Å; L203-Y216 HydrophobicContact CD2-CE2 4.44Å; L203-Y216 HydrophobicContact CD2-CG 4.46Å; L203-Y216 VanDerWaalsContact O-CE1 3.31Å; L203-Y216 WeakPolarHBondContact O-CE1 3.3Å; Q205-Y216 WeakPolarHBondContact O-CA 3.43Å; K206-Y216 HydrophobicContact CB-CD1 4.04Å; K206-Y216 HydrophobicContact CB-CE1 3.85Å; K206-Y216 HydrophobicContact CG-CD1 4.41Å; K206-Y216 HydrophobicContact CG-CE1 4.08Å; A214-Y216 HydrophobicContact CB-CD2 4.21Å; A214-Y216 HydrophobicContact CB-CE2 3.4Å; Y216-A247 WeakPolarHBondContact O-CA 2.91Å; Y216-V248 PolarHBondContact N-O 2.84Å; Y216-V248 PolarHBondContact O-N 3.47Å; Y216-M250 HydrophobicContact CD2-CG 4.28Å; Y216-M250 HydrophobicContact CD2-SD 3.74Å; Y216-M250 HydrophobicContact CE2-SD 4.1Å
217	K	96.7	Very high	81.3	Confident	31 Å²	31	43.1 Å²	43.1	14%	0.135	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	146.4	164.8	-162.9	175.6	178.2	-172.1	0	109	F202 Q205 L207 E245 Y298	F202-K217 WeakPolarHBondContact CB-O 3.45Å; F202-K217 HydrophobicContact CD2-CB 4.34Å; F202-K217 HydrophobicContact CD2-CG 4.3Å; F202-K217 PolarHBondContact N-O 2.88Å; Q205-K217 HydrophobicContact CB-CB 4Å; Q205-K217 PolarHBondContact O-N 2.94Å; L207-K217 HydrophobicContact CD1-CB 4.1Å; L207-K217 HydrophobicContact CD2-CB 4.16Å; L207-K217 HydrophobicContact CG-CB 4.16Å; K217-E245 WeakPolarHBondContact CE-OE1 3.49Å; K217-E245 IonicContact NZ-OE1 3.64Å; K217-E245 PolarHBondContact NZ-OE1 2.96Å; K217-E245 IonicContact NZ-OE2 2.78Å; K217-Y298 HydrophobicContact CD-CE1 4.35Å; K217-Y298 HydrophobicContact CD-CE2 4.24Å; K217-Y298 HydrophobicContact CG-CD2 4.41Å; K217-Y298 HydrophobicContact CG-CE2 4.29Å
218	G	95.7	Very high	79.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-178.9	174.3	0	0	0	0	0	112.2	D200 I246	D200-G218 CarbonylContact O-C 3.57Å; D200-G218 WeakPolarHBondContact O-CA 3.39Å; G218-I246 VanDerWaalsContact C-CG1 3.49Å; G218-I246 PolarHBondContact N-O 3.5Å; G218-I246 WeakPolarHBondContact O-CG1 3.35Å; G218-I246 PolarHBondContact O-N 3.32Å
219	K	95	Very high	77.9	Confident	64 Å²	64	52.4 Å²	52.4	28%	0.278	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.8	174.2	-172.7	-175.7	176.6	-163.5	0	109.6	D200 F202 D243	D200-K219 HydrophobicContact CB-CB 4.34Å; D200-K219 PolarHBondContact N-O 3.28Å; D200-K219 PolarHBondContact O-N 3.18Å; F202-K219 HydrophobicContact CE2-CB 4.32Å; F202-K219 HydrophobicContact CZ-CB 3.82Å; K219-D243 VanDerWaalsContact CE-CB 3.47Å; K219-D243 WeakPolarHBondContact CE-O 3.43Å; K219-D243 IonicContact NZ-OD2 2.68Å; K219-D243 PolarHBondContact NZ-OD2 3.09Å
220	M	91.8	Very high	76.9	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.2	169.7	-173.7	64.2	70.5	0	0	108.8	I194 K198 L224 D243 C244 I246 A284 I295	I194-M220 HydrophobicContact CD1-CE 3.3Å; I194-M220 HydrophobicContact CD1-SD 3.7Å; K198-M220 HydrophobicContact CB-SD 4.01Å; K198-M220 VanDerWaalsContact O-SD 3.4Å; M220-L224 HydrophobicContact CE-CD2 4.26Å; M220-L224 HydrophobicContact CG-CD2 4.08Å; M220-L224 HydrophobicContact CG-CG 4.22Å; M220-D243 CarbonylContact O-C 3.58Å; M220-D243 WeakPolarHBondContact O-CA 3.25Å; M220-C244 PolarHBondContact N-O 2.79Å; M220-C244 PolarHBondContact O-N 2.81Å; M220-I246 HydrophobicContact CB-CD1 3.99Å; M220-I246 HydrophobicContact CB-CG2 4.21Å; M220-I246 HydrophobicContact CE-CD1 4Å; M220-A284 HydrophobicContact CE-CB 4.25Å; M220-I295 HydrophobicContact CE-CB 4.46Å; M220-I295 HydrophobicContact CE-CG1 4.39Å; M220-I295 HydrophobicContact CE-CG2 3.79Å
221	N	90.3	Very high	76.3	Confident	46 Å²	46	55.6 Å²	55.6	25%	0.246	30%	0.299	C	S	.	.			trans	-86.7	129.5	-178.9	-68.2	-34.9	0	0	0	111.7	K198 D200	K198-N221 PolarHBondContact O-N 2.93Å; D200-N221 PolarHBondContact OD1-ND2 2.99Å; D200-N221 PolarHBondContact OD2-ND2 3.32Å; D200-N221 PolarHBondContact OD2-OD1 3.25Å
222	G	83.7	Confident	76.8	Confident	31 Å²	31	52.3 Å²	52.3	32%	0.32	27%	0.27	S	S	.	.	S	Bend	trans	74.5	-164.8	-178.1	0	0	0	0	0	113.4	D243	G222-D243 PolarHBondContact N-OD1 2.91Å; G222-D243 PolarHBondContact O-N 3.34Å
223	R	79.5	Confident	77.2	Confident	138 Å²	138	54 Å²	54	52%	0.521	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-78.1	129.9	-173.3	-167.1	172.6	174.2	163.9	10	111.9	V225 T239 E242	R223-V225 PolarHBondContact O-N 2.9Å; R223-T239 WeakPolarHBondContact CG-O 3.4Å; R223-T239 PolarHBondContact NE-O 3.19Å; R223-T239 PolarHBondContact NH2-O 3.05Å; R223-E242 HydrophobicContact CB-CG 4.1Å; R223-E242 HydrophobicContact CG-CG 4.41Å
224	L	75.3	Confident	77.3	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.042	30%	0.296	C	S	.	.			trans	-62.7	120.3	170.6	-85.4	158.5	0	0	0	110	M220 S226 W238 L283	M220-L224 HydrophobicContact CE-CD2 4.26Å; M220-L224 HydrophobicContact CG-CD2 4.08Å; M220-L224 HydrophobicContact CG-CG 4.22Å; L224-S226 PolarHBondContact O-N 3.48Å; L224-S226 VanDerWaalsContact O-N 3.16Å; L224-W238 WeakPolarHBondContact CB-O 3.06Å; L224-W238 HydrophobicContact CD1-CE3 3.85Å; L224-L283 HydrophobicContact CD1-CD1 4.32Å; L224-L283 HydrophobicContact CD2-CB 4.09Å
225	V	65.9	Low	76.6	Confident	87 Å²	87	55.1 Å²	55.1	53%	0.527	29%	0.291	S	S	.	.			trans	-88.4	61.9	166.7	-168.8	0	0	0	0	106.9	R223	R223-V225 PolarHBondContact O-N 2.9Å
226	S	61.2	Low	75.8	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.014	30%	0.303	C	S	.	.			trans	-68.6	164.8	173.7	74.1	0	0	0	0	110.1	L224 K228 A235 T239 Y275	L224-S226 PolarHBondContact O-N 3.48Å; L224-S226 VanDerWaalsContact O-N 3.16Å; S226-K228 PolarHBondContact O-N 2.81Å; S226-A235 PolarHBondContact OG-O 2.95Å; S226-T239 WeakPolarHBondContact OG-CG2 3.48Å; S226-Y275 VanDerWaalsContact CB-OH 3.26Å; S226-Y275 WeakPolarHBondContact CB-OH 3.47Å
227	N	59.4	Low	75	Confident	30 Å²	30	60.4 Å²	60.4	16%	0.16	32%	0.318	C	S	.	.			trans	-56.9	98.8	-174.4	-176.2	5.8	0	0	0	111.4	W192 M229 S230	W192-N227 HydrophobicContact CH2-CB 4.32Å; W192-N227 HydrophobicContact CZ2-CB 3.8Å; N227-M229 PolarHBondContact O-N 2.94Å; N227-M229 WeakPolarHBondContact OD1-CA 3.49Å; N227-M229 WeakPolarHBondContact OD1-CB 3.35Å; N227-M229 VanDerWaalsContact OD1-CE 3.3Å; N227-M229 WeakPolarHBondContact OD1-CE 3.48Å; N227-M229 PolarHBondContact OD1-N 3.27Å; N227-S230 WeakPolarHBondContact O-CB 3.46Å; N227-S230 PolarHBondContact O-N 3.23Å
228	K	53.6	Low	74.2	Confident	180 Å²	180	60.9 Å²	60.9	78%	0.783	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.8	174.4	-69.2	-173.5	178.4	-178.2	0	113.2	S226 S230	S226-K228 PolarHBondContact O-N 2.81Å; K228-S230 VanDerWaalsContact C-N 3.31Å
229	M	51.6	Low	73	Confident	122 Å²	122	62 Å²	62	60%	0.601	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.2	176.5	-54.4	-179.7	-77	0	0	113	H191 N227 N231	H191-M229 VanDerWaalsContact CD2-CE 3.45Å; H191-M229 WeakPolarHBondContact CD2-CE 3.48Å; N227-M229 PolarHBondContact O-N 2.94Å; N227-M229 WeakPolarHBondContact OD1-CA 3.49Å; N227-M229 WeakPolarHBondContact OD1-CB 3.35Å; N227-M229 VanDerWaalsContact OD1-CE 3.3Å; N227-M229 WeakPolarHBondContact OD1-CE 3.48Å; N227-M229 PolarHBondContact OD1-N 3.27Å; M229-N231 PolarHBondContact O-N 3.04Å
230	S	59.4	Low	72.1	Confident	27 Å²	27	65 Å²	65	19%	0.189	34%	0.339	C	S	.	.			trans	-79.6	105.4	172.2	176.4	0	0	0	0	109.1	N227 K228 S232 A235 Y275	N227-S230 WeakPolarHBondContact O-CB 3.46Å; N227-S230 PolarHBondContact O-N 3.23Å; K228-S230 VanDerWaalsContact C-N 3.31Å; S230-S232 PolarHBondContact O-N 3.07Å; S230-S232 WeakPolarHBondContact OG-CB 3.26Å; S230-A235 WeakPolarHBondContact OG-CB 3.38Å; S230-Y275 WeakPolarHBondContact OG-CD2 3.45Å
231	N	56.4	Low	71.5	Confident	160 Å²	160	67.3 Å²	67.3	86%	0.856	35%	0.353	S	S	*	.			trans	-70.2	28.7	173.1	-63.7	-18.9	0	0	0	113.1	M229	M229-N231 PolarHBondContact O-N 3.04Å
232	S	72.2	Confident	71.1	Confident	29 Å²	29	71.1 Å²	71.1	20%	0.203	37%	0.369	C	S	.	.			trans	-95.3	130	-179.9	176.9	0	0	0	0	109.3	S230 L234 A235 E236	S230-S232 PolarHBondContact O-N 3.07Å; S230-S232 WeakPolarHBondContact OG-CB 3.26Å; S232-L234 PolarHBondContact O-N 3.41Å; S232-L234 VanDerWaalsContact O-N 3.14Å; S232-L234 PolarHBondContact OG-N 3.38Å; S232-A235 WeakPolarHBondContact O-CA 3.4Å; S232-A235 VanDerWaalsContact O-CB 3.3Å; S232-A235 WeakPolarHBondContact O-CB 3.37Å; S232-A235 PolarHBondContact O-N 3.36Å; S232-E236 PolarHBondContact O-N 3.21Å
233	A	77.2	Confident	71.2	Confident	67 Å²	67	73.5 Å²	73.5	55%	0.554	37%	0.374	S	S	*	.	H	α-helix	trans	-54.4	-32.2	173.6	0	0	0	0	0	112.2	E236 N237	A233-E236 PolarHBondContact O-N 2.84Å; A233-N237 VanDerWaalsContact O-CG 3.27Å; A233-N237 PolarHBondContact O-N 2.91Å
234	L	78.9	Confident	71.6	Confident	51 Å²	51	67.5 Å²	67.5	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-41.9	173.4	-68	172.7	0	0	0	112	S232 E236 N237 W238 E277	S232-L234 PolarHBondContact O-N 3.41Å; S232-L234 VanDerWaalsContact O-N 3.14Å; S232-L234 PolarHBondContact OG-N 3.38Å; L234-E236 VanDerWaalsContact C-N 3.33Å; L234-N237 PolarHBondContact O-N 2.58Å; L234-W238 PolarHBondContact O-N 3.43Å; L234-E277 HydrophobicContact CD1-CB 4.2Å
235	A	76.1	Confident	72.5	Confident	1 Å²	1	71 Å²	71	1%	0.008	37%	0.37	C	S	.	.	H	α-helix	trans	-63.2	-43.2	176.7	0	0	0	0	0	110.8	S226 S230 S232 N237 W238 T239 Y275	S226-A235 PolarHBondContact OG-O 2.95Å; S230-A235 WeakPolarHBondContact OG-CB 3.38Å; S232-A235 WeakPolarHBondContact O-CA 3.4Å; S232-A235 VanDerWaalsContact O-CB 3.3Å; S232-A235 WeakPolarHBondContact O-CB 3.37Å; S232-A235 PolarHBondContact O-N 3.36Å; A235-N237 VanDerWaalsContact C-N 3.34Å; A235-N237 PolarHBondContact O-N 3.37Å; A235-W238 PolarHBondContact O-N 3.33Å; A235-T239 WeakPolarHBondContact O-CG2 3.39Å; A235-T239 PolarHBondContact O-N 2.98Å; A235-Y275 HydrophobicContact CB-CD2 3.52Å; A235-Y275 HydrophobicContact CB-CE2 3.52Å; A235-Y275 HydrophobicContact CB-CG 4.14Å
236	E	75.3	Confident	73.9	Confident	99 Å²	99	66.9 Å²	66.9	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-43.1	175.6	-68.6	-172.8	-172.3	0	0	112.2	S232 A233 L234 W238 T239 K240	S232-E236 PolarHBondContact O-N 3.21Å; A233-E236 PolarHBondContact O-N 2.84Å; L234-E236 VanDerWaalsContact C-N 3.33Å; E236-W238 PolarHBondContact O-N 2.96Å; E236-T239 PolarHBondContact O-N 3.28Å; E236-T239 PolarHBondContact O-OG1 3.2Å; E236-K240 WeakPolarHBondContact O-CG 3.31Å; E236-K240 PolarHBondContact O-N 3.03Å
237	N	79.6	Confident	75.6	Confident	92 Å²	92	67.1 Å²	67.1	49%	0.492	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-47.6	176.5	-72.2	-15.3	0	0	0	111.1	A233 L234 A235 T239 K240 T241	A233-N237 VanDerWaalsContact O-CG 3.27Å; A233-N237 PolarHBondContact O-N 2.91Å; L234-N237 PolarHBondContact O-N 2.58Å; A235-N237 VanDerWaalsContact C-N 3.34Å; A235-N237 PolarHBondContact O-N 3.37Å; N237-T239 VanDerWaalsContact C-N 3.34Å; N237-T239 PolarHBondContact O-N 3Å; N237-K240 PolarHBondContact O-N 2.93Å; N237-T241 PolarHBondContact O-N 3.29Å; N237-T241 PolarHBondContact O-OG1 2.95Å
238	W	79.5	Confident	77.3	Confident	42 Å²	42	65.7 Å²	65.7	16%	0.159	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-38.5	175.9	-75.6	117.3	0	0	0	113	L224 L234 A235 E236 K240 T241 C244 Y275 L283 E297	L224-W238 WeakPolarHBondContact CB-O 3.06Å; L224-W238 HydrophobicContact CD1-CE3 3.85Å; L234-W238 PolarHBondContact O-N 3.43Å; A235-W238 PolarHBondContact O-N 3.33Å; E236-W238 PolarHBondContact O-N 2.96Å; W238-K240 PolarHBondContact O-N 3.2Å; W238-T241 PolarHBondContact O-N 2.84Å; W238-C244 HydrophobicContact CZ3-CB 4.46Å; W238-Y275 AromaticContact CD1-CE1 3.68Å; W238-Y275 HydrophobicContact CG-CE1 4.44Å; W238-L283 HydrophobicContact CB-CD2 4.48Å; W238-L283 HydrophobicContact CD2-CD2 3.54Å; W238-L283 HydrophobicContact CE3-CD1 4.21Å; W238-L283 HydrophobicContact CE3-CD2 3.9Å; W238-L283 HydrophobicContact CG-CD2 3.8Å; W238-L283 HydrophobicContact CH2-CD1 4.32Å; W238-L283 HydrophobicContact CZ2-CD2 4.26Å; W238-L283 HydrophobicContact CZ3-CD1 4.04Å; W238-L283 HydrophobicContact CZ3-CD2 4.39Å; W238-E297 HydrophobicContact CH2-CB 3.78Å; W238-E297 HydrophobicContact CZ2-CB 3.56Å; W238-E297 WeakPolarHBondContact CZ2-OE2 3.44Å
239	T	72.1	Confident	79.2	Confident	23 Å²	23	58 Å²	58	14%	0.141	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-21.2	175.2	64.9	0	0	0	0	112.8	R223 S226 A235 E236 N237	R223-T239 WeakPolarHBondContact CG-O 3.4Å; R223-T239 PolarHBondContact NE-O 3.19Å; R223-T239 PolarHBondContact NH2-O 3.05Å; S226-T239 WeakPolarHBondContact OG-CG2 3.48Å; A235-T239 WeakPolarHBondContact O-CG2 3.39Å; A235-T239 PolarHBondContact O-N 2.98Å; E236-T239 PolarHBondContact O-N 3.28Å; E236-T239 PolarHBondContact O-OG1 3.2Å; N237-T239 VanDerWaalsContact C-N 3.34Å; N237-T239 PolarHBondContact O-N 3Å
240	K	76.3	Confident	81.2	Confident	128 Å²	128	53.5 Å²	53.5	56%	0.557	28%	0.284	S	S	*	.	H	α-helix	trans	-90.5	-17.9	179.6	-68.7	169.4	-172.8	166	0	112.1	E236 N237 W238	E236-K240 WeakPolarHBondContact O-CG 3.31Å; E236-K240 PolarHBondContact O-N 3.03Å; N237-K240 PolarHBondContact O-N 2.93Å; W238-K240 PolarHBondContact O-N 3.2Å
241	T	79	Confident	82.7	Confident	50 Å²	50	52.4 Å²	52.4	31%	0.307	28%	0.276	S	S	.	.			trans	-72.6	132.8	178.8	-41.1	0	0	0	0	110.6	N237 W238 C244	N237-T241 PolarHBondContact O-N 3.29Å; N237-T241 PolarHBondContact O-OG1 2.95Å; W238-T241 PolarHBondContact O-N 2.84Å; T241-C244 HydrophobicContact CG2-CB 3.67Å
242	E	81.4	Confident	84.3	Confident	127 Å²	127	46.5 Å²	46.5	59%	0.593	25%	0.247	S	C	*	.	B	Isolated β-bridge	trans	-113.9	149.2	170.4	-62.1	-173.2	166	0	0	108.3	R223 C244	R223-E242 HydrophobicContact CB-CG 4.1Å; R223-E242 HydrophobicContact CG-CG 4.41Å; E242-C244 VanDerWaalsContact C-N 3.3Å; E242-C244 PolarHBondContact O-N 3.27Å
243	D	85.1	Confident	85.1	Confident	80 Å²	80	51.1 Å²	51.1	43%	0.428	27%	0.265	S	S	.	.	S	Bend	trans	57.9	36.8	168.6	-82.1	20	0	0	0	114.9	K219 M220 G222	K219-D243 VanDerWaalsContact CE-CB 3.47Å; K219-D243 WeakPolarHBondContact CE-O 3.43Å; K219-D243 IonicContact NZ-OD2 2.68Å; K219-D243 PolarHBondContact NZ-OD2 3.09Å; M220-D243 CarbonylContact O-C 3.58Å; M220-D243 WeakPolarHBondContact O-CA 3.25Å; G222-D243 PolarHBondContact N-OD1 2.91Å; G222-D243 PolarHBondContact O-N 3.34Å
244	C	88.7	Confident	85.8	Confident	13 Å²	13	57.9 Å²	57.9	9%	0.088	28%	0.278	C	S	.	.			trans	-81.4	146.5	-173.3	63	0	0	0	0	114.2	M220 W238 T241 E242	M220-C244 PolarHBondContact N-O 2.79Å; M220-C244 PolarHBondContact O-N 2.81Å; W238-C244 HydrophobicContact CZ3-CB 4.46Å; T241-C244 HydrophobicContact CG2-CB 3.67Å; E242-C244 VanDerWaalsContact C-N 3.3Å; E242-C244 PolarHBondContact O-N 3.27Å
245	E	94.2	Very high	86.2	Confident	81 Å²	81	56.2 Å²	56.2	38%	0.379	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.7	166.5	-61.2	-173.1	126	0	0	110.6	K217 Y298	K217-E245 WeakPolarHBondContact CE-OE1 3.49Å; K217-E245 IonicContact NZ-OE1 3.64Å; K217-E245 PolarHBondContact NZ-OE1 2.96Å; K217-E245 IonicContact NZ-OE2 2.78Å; E245-Y298 HydrophobicContact CB-CD1 4.18Å
246	I	95.3	Very high	86.9	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.6	-174.5	53.5	170.9	0	0	0	110.9	L199 G218 M220 V248 L283 I295	L199-I246 HydrophobicContact CD1-CD1 3.13Å; L199-I246 HydrophobicContact CD1-CG1 4.35Å; G218-I246 VanDerWaalsContact C-CG1 3.49Å; G218-I246 PolarHBondContact N-O 3.5Å; G218-I246 WeakPolarHBondContact O-CG1 3.35Å; G218-I246 PolarHBondContact O-N 3.32Å; M220-I246 HydrophobicContact CB-CD1 3.99Å; M220-I246 HydrophobicContact CB-CG2 4.21Å; M220-I246 HydrophobicContact CE-CD1 4Å; I246-V248 HydrophobicContact CD1-CG2 3.99Å; I246-V248 HydrophobicContact CG1-CG2 4.28Å; I246-L283 HydrophobicContact CG2-CD1 3.73Å; I246-I295 HydrophobicContact CB-CG2 3.95Å; I246-I295 HydrophobicContact CD1-CG2 3.5Å; I246-I295 VanDerWaalsContact CD1-CG2 3.5Å; I246-I295 HydrophobicContact CG1-CG2 4.28Å; I246-I295 HydrophobicContact CG2-CG2 4.1Å
247	A	96	Very high	87.6	Confident	8 Å²	8	62.7 Å²	62.7	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.1	166.4	0	0	0	0	0	109.6	L207 V215 Y216 V296 Y298	L207-A247 HydrophobicContact CD1-CB 3.92Å; V215-A247 HydrophobicContact CG1-CB 4.04Å; Y216-A247 WeakPolarHBondContact O-CA 2.91Å; A247-V296 HydrophobicContact CB-CG2 3.85Å; A247-V296 PolarHBondContact N-O 3.04Å; A247-V296 PolarHBondContact O-N 2.95Å; A247-Y298 HydrophobicContact CB-CD2 4.49Å
248	V	95.2	Very high	87.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	106.8	-176.8	-169.9	0	0	0	0	108.7	L199 I201 V215 Y216 I246 M250 C293 I295	L199-V248 HydrophobicContact CD1-CG2 3.89Å; L199-V248 HydrophobicContact CD2-CG1 4.13Å; L199-V248 HydrophobicContact CD2-CG2 4.25Å; I201-V248 HydrophobicContact CD1-CG1 4.15Å; I201-V248 HydrophobicContact CG1-CG2 4.49Å; V215-V248 WeakPolarHBondContact CA-O 3.49Å; Y216-V248 PolarHBondContact N-O 2.84Å; Y216-V248 PolarHBondContact O-N 3.47Å; I246-V248 HydrophobicContact CD1-CG2 3.99Å; I246-V248 HydrophobicContact CG1-CG2 4.28Å; V248-M250 HydrophobicContact CG1-CG 3.73Å; V248-M250 HydrophobicContact CG1-SD 4.46Å; V248-C293 HydrophobicContact CG1-CB 3.88Å; V248-I295 HydrophobicContact CG1-CG1 4.5Å
249	K	94.5	Very high	88.2	Confident	17 Å²	17	59.8 Å²	59.8	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120	169.1	-166.1	-179.6	-164.8	178.3	0	107.3	V215 F263 E266 C293 L294 D386	V215-K249 HydrophobicContact CG2-CB 4.15Å; V215-K249 HydrophobicContact CG2-CG 3.97Å; K249-F263 HydrophobicContact CB-CE2 4.45Å; K249-F263 HydrophobicContact CD-CE2 4.02Å; K249-F263 HydrophobicContact CG-CE2 3.97Å; K249-F263 WeakPolarHBondContact O-CZ 3.48Å; K249-E266 IonicContact NZ-OE1 3.66Å; K249-E266 PolarHBondContact NZ-OE1 2.78Å; K249-E266 IonicContact NZ-OE2 3.69Å; K249-E266 PolarHBondContact NZ-OE2 3.37Å; K249-C293 WeakPolarHBondContact O-CA 3.07Å; K249-L294 HydrophobicContact CB-CB 4.25Å; K249-L294 HydrophobicContact CD-CD2 4.29Å; K249-L294 PolarHBondContact N-O 3.47Å; K249-L294 PolarHBondContact O-N 3.06Å; K249-D386 IonicContact NZ-OD1 3.47Å; K249-D386 PolarHBondContact NZ-OD1 2.66Å
250	M	93.2	Very high	89.1	Confident	28 Å²	28	60 Å²	60	14%	0.138	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127	-175.3	-63.8	-178.1	66.6	0	0	110.7	I201 L203 G213 A214 Y216 V248 P291 F292	I201-M250 HydrophobicContact CD1-CE 3.93Å; I201-M250 HydrophobicContact CD1-SD 3.66Å; I201-M250 HydrophobicContact CG2-SD 3.94Å; L203-M250 HydrophobicContact CD2-SD 4.37Å; G213-M250 WeakPolarHBondContact CA-O 3.29Å; A214-M250 PolarHBondContact N-O 2.87Å; A214-M250 PolarHBondContact O-N 2.74Å; Y216-M250 HydrophobicContact CD2-CG 4.28Å; Y216-M250 HydrophobicContact CD2-SD 3.74Å; Y216-M250 HydrophobicContact CE2-SD 4.1Å; V248-M250 HydrophobicContact CG1-CG 3.73Å; V248-M250 HydrophobicContact CG1-SD 4.46Å; M250-P291 HydrophobicContact CE-CB 4.26Å; M250-P291 HydrophobicContact CE-CG 3.49Å; M250-P291 VanDerWaalsContact CE-CG 3.49Å; M250-F292 WeakPolarHBondContact CA-O 3.35Å
251	L	91.4	Very high	89.7	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	29%	0.291	C	S	.	.			trans	-82.8	129.1	168.7	-173.3	68.7	0	0	0	108.7	F212 A255 A259 K260 F263 P291 F292	F212-L251 HydrophobicContact CB-CD1 4.15Å; F212-L251 WeakPolarHBondContact O-CD1 3.41Å; L251-A255 HydrophobicContact CD1-CB 3.65Å; L251-A255 HydrophobicContact CD2-CB 3.89Å; L251-A255 HydrophobicContact CG-CB 3.57Å; L251-A259 HydrophobicContact CD1-CB 4.3Å; L251-K260 HydrophobicContact CD2-CB 4.16Å; L251-K260 HydrophobicContact CD2-CG 3.58Å; L251-F263 HydrophobicContact CB-CD1 4.35Å; L251-F263 HydrophobicContact CB-CD2 4.38Å; L251-F263 HydrophobicContact CB-CE1 4.45Å; L251-F263 HydrophobicContact CB-CE2 4.48Å; L251-F263 HydrophobicContact CB-CG 4.3Å; L251-F263 HydrophobicContact CD2-CB 4.13Å; L251-F263 HydrophobicContact CD2-CG 4.33Å; L251-P291 VanDerWaalsContact O-CB 3.24Å; L251-P291 WeakPolarHBondContact O-CB 3.41Å; L251-F292 HydrophobicContact CB-CB 4.11Å; L251-F292 HydrophobicContact CD2-CB 4.39Å; L251-F292 HydrophobicContact CD2-CD2 4.27Å; L251-F292 PolarHBondContact N-O 3.29Å
252	P	89.4	Confident	89.9	Confident	37 Å²	37	54.7 Å²	54.7	24%	0.24	28%	0.281	C	S	.	.			trans	-59.9	145.3	176.5	-21.2	32	0	0	0	112.2	F212 Y254 A255	F212-P252 WeakPolarHBondContact O-CD 3.44Å; P252-Y254 HydrophobicContact CB-CD1 3.81Å; P252-Y254 HydrophobicContact CB-CD2 4.2Å; P252-Y254 HydrophobicContact CB-CE1 3.4Å; P252-Y254 VanDerWaalsContact CB-CE1 3.4Å; P252-Y254 HydrophobicContact CB-CE2 3.81Å; P252-Y254 HydrophobicContact CB-CG 4.19Å; P252-Y254 HydrophobicContact CG-CE1 4.29Å; P252-Y254 HydrophobicContact CG-CE2 4.24Å; P252-Y254 PolarHBondContact O-N 3.19Å; P252-A255 WeakPolarHBondContact O-CB 3.45Å; P252-A255 PolarHBondContact O-N 3.21Å
253	E	89.6	Confident	90.3	Very high	126 Å²	126	48.6 Å²	48.6	59%	0.589	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.7	179.7	-63.3	-179.8	-177.8	0	0	112.8	A255 E290 P291	E253-A255 VanDerWaalsContact C-N 3.25Å; E253-A255 PolarHBondContact O-N 3.32Å; E253-E290 HydrophobicContact CG-CB 4.48Å; E253-P291 HydrophobicContact CG-CB 3.98Å
254	Y	90.3	Very high	90.6	Very high	209 Å²	209	46.4 Å²	46.4	82%	0.82	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	3.1	176.9	60.7	-101.2	0	0	0	114.2	P252	P252-Y254 HydrophobicContact CB-CD1 3.81Å; P252-Y254 HydrophobicContact CB-CD2 4.2Å; P252-Y254 HydrophobicContact CB-CE1 3.4Å; P252-Y254 VanDerWaalsContact CB-CE1 3.4Å; P252-Y254 HydrophobicContact CB-CE2 3.81Å; P252-Y254 HydrophobicContact CB-CG 4.19Å; P252-Y254 HydrophobicContact CG-CE1 4.29Å; P252-Y254 HydrophobicContact CG-CE2 4.24Å; P252-Y254 PolarHBondContact O-N 3.19Å
255	A	88	Confident	90.6	Very high	16 Å²	16	49.8 Å²	49.8	13%	0.132	26%	0.256	C	S	.	.			trans	-64.3	141	178.9	0	0	0	0	0	111.5	L251 P252 E253 A259 K260	L251-A255 HydrophobicContact CD1-CB 3.65Å; L251-A255 HydrophobicContact CD2-CB 3.89Å; L251-A255 HydrophobicContact CG-CB 3.57Å; P252-A255 WeakPolarHBondContact O-CB 3.45Å; P252-A255 PolarHBondContact O-N 3.21Å; E253-A255 VanDerWaalsContact C-N 3.25Å; E253-A255 PolarHBondContact O-N 3.32Å; A255-A259 HydrophobicContact CB-CB 4.09Å; A255-K260 WeakPolarHBondContact O-CE 3.28Å
256	D	90.3	Very high	90.4	Very high	102 Å²	102	46.2 Å²	46.2	55%	0.545	24%	0.239	S	C	.	.			trans	-73.4	168.3	178.6	69.6	11.6	0	0	0	112.5	A258 A259 K260	D256-A258 PolarHBondContact O-N 3.21Å; D256-A258 PolarHBondContact OD1-N 2.94Å; D256-A259 PolarHBondContact O-N 2.84Å; D256-A259 VanDerWaalsContact OD1-CB 3.24Å; D256-A259 WeakPolarHBondContact OD1-CB 3.28Å; D256-A259 PolarHBondContact OD1-N 2.82Å; D256-K260 WeakPolarHBondContact O-CG 3.46Å; D256-K260 PolarHBondContact O-N 3.45Å
257	E	90	Very high	90.3	Very high	133 Å²	133	46.3 Å²	46.3	62%	0.621	24%	0.24	S	C	*	.	H	α-helix	trans	-63.3	-25.7	-179.2	-68	-57.3	130.8	0	0	113	K260 S261	E257-K260 WeakPolarHBondContact OE1-CD 3.45Å; E257-K260 IonicContact OE1-NZ 2.87Å; E257-K260 PolarHBondContact OE1-NZ 3.49Å; E257-K260 VanDerWaalsContact OE1-NZ 3.16Å; E257-S261 VanDerWaalsContact O-CB 3.24Å; E257-S261 WeakPolarHBondContact O-CB 3.18Å; E257-S261 PolarHBondContact O-N 3.29Å
258	A	85.9	Confident	90.1	Very high	48 Å²	48	49.5 Å²	49.5	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-68.8	-46.9	175.1	0	0	0	0	0	110.9	D256 S261 D262	D256-A258 PolarHBondContact O-N 3.21Å; D256-A258 PolarHBondContact OD1-N 2.94Å; A258-S261 WeakPolarHBondContact O-CB 3.21Å; A258-S261 PolarHBondContact O-N 2.88Å; A258-D262 WeakPolarHBondContact O-CB 3.37Å; A258-D262 PolarHBondContact O-N 3.38Å
259	A	86	Confident	89.9	Confident	25 Å²	25	50.1 Å²	50.1	21%	0.207	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-42.2	175.3	0	0	0	0	0	111.7	L251 A255 D256 D262 F263	L251-A259 HydrophobicContact CD1-CB 4.3Å; A255-A259 HydrophobicContact CB-CB 4.09Å; D256-A259 PolarHBondContact O-N 2.84Å; D256-A259 VanDerWaalsContact OD1-CB 3.24Å; D256-A259 WeakPolarHBondContact OD1-CB 3.28Å; D256-A259 PolarHBondContact OD1-N 2.82Å; A259-D262 PolarHBondContact O-N 2.76Å; A259-F263 VanDerWaalsContact O-CB 3.3Å; A259-F263 WeakPolarHBondContact O-CB 3.39Å; A259-F263 PolarHBondContact O-N 2.93Å
260	K	90.6	Very high	89.8	Confident	28 Å²	28	49.8 Å²	49.8	12%	0.122	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-46.2	172.2	-69.9	179.8	-168.3	176.8	0	111.9	L251 A255 D256 E257 F263 C264 E290 F292	L251-K260 HydrophobicContact CD2-CB 4.16Å; L251-K260 HydrophobicContact CD2-CG 3.58Å; A255-K260 WeakPolarHBondContact O-CE 3.28Å; D256-K260 WeakPolarHBondContact O-CG 3.46Å; D256-K260 PolarHBondContact O-N 3.45Å; E257-K260 WeakPolarHBondContact OE1-CD 3.45Å; E257-K260 IonicContact OE1-NZ 2.87Å; E257-K260 PolarHBondContact OE1-NZ 3.49Å; E257-K260 VanDerWaalsContact OE1-NZ 3.16Å; K260-F263 PolarHBondContact O-N 3.12Å; K260-C264 WeakPolarHBondContact O-CB 3.44Å; K260-C264 PolarHBondContact O-N 3.37Å; K260-C264 PolarHBondContact O-SG 3.19Å; K260-C264 VanDerWaalsContact O-SG 3.39Å; K260-E290 WeakPolarHBondContact CE-OE1 3.35Å; K260-E290 IonicContact NZ-OE1 2.74Å; K260-E290 PolarHBondContact NZ-OE1 2.83Å; K260-F292 HydrophobicContact CB-CD2 4.49Å; K260-F292 HydrophobicContact CB-CE2 4.06Å; K260-F292 HydrophobicContact CD-CE2 4.36Å; K260-F292 HydrophobicContact CD-CZ 4.48Å; K260-F292 HydrophobicContact CG-CD2 4.45Å; K260-F292 HydrophobicContact CG-CE2 4.18Å
261	S	88.8	Confident	89.7	Confident	49 Å²	49	50.2 Å²	50.2	34%	0.343	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-47	175.7	149.7	0	0	0	0	111.6	E257 A258 C264 K265	E257-S261 VanDerWaalsContact O-CB 3.24Å; E257-S261 WeakPolarHBondContact O-CB 3.18Å; E257-S261 PolarHBondContact O-N 3.29Å; A258-S261 WeakPolarHBondContact O-CB 3.21Å; A258-S261 PolarHBondContact O-N 2.88Å; S261-C264 PolarHBondContact O-N 3.06Å; S261-K265 WeakPolarHBondContact O-CG 3.43Å; S261-K265 PolarHBondContact O-N 3.4Å; S261-K265 WeakPolarHBondContact OG-CE 3.33Å; S261-K265 PolarHBondContact OG-NZ 2.9Å
262	D	84.8	Confident	89.6	Confident	17 Å²	17	59 Å²	59	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-68.7	-37.5	-178.2	-72.8	-17.1	0	0	0	112.2	F212 A258 A259 K265 E266 Y399	F212-D262 HydrophobicContact CD1-CB 4.5Å; F212-D262 HydrophobicContact CE1-CB 3.44Å; F212-D262 VanDerWaalsContact CE1-CB 3.44Å; F212-D262 HydrophobicContact CZ-CB 3.85Å; A258-D262 WeakPolarHBondContact O-CB 3.37Å; A258-D262 PolarHBondContact O-N 3.38Å; A259-D262 PolarHBondContact O-N 2.76Å; D262-K265 WeakPolarHBondContact O-CB 3.26Å; D262-K265 PolarHBondContact O-N 2.89Å; D262-K265 IonicContact OD1-NZ 3.16Å; D262-K265 PolarHBondContact OD1-NZ 2.95Å; D262-E266 PolarHBondContact O-N 3.43Å; D262-E266 VanDerWaalsContact O-N 3.1Å; D262-Y399 VanDerWaalsContact OD2-CE1 3.23Å; D262-Y399 WeakPolarHBondContact OD2-CE1 3.35Å; D262-Y399 PolarHBondContact OD2-OH 3.14Å
263	F	89.9	Confident	89.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-45	171	-166.7	-103.6	0	0	0	112	F212 K249 L251 A259 K260 K265 E266 I267 F292 L294	F212-F263 HydrophobicContact CB-CD2 3.68Å; F212-F263 HydrophobicContact CB-CE2 4.24Å; F212-F263 HydrophobicContact CD1-CB 4.48Å; F212-F263 HydrophobicContact CD2-CD2 4.17Å; F212-F263 AromaticContact CG-CD2 3.9Å; F212-F263 HydrophobicContact CG-CD2 3.9Å; K249-F263 HydrophobicContact CB-CE2 4.45Å; K249-F263 HydrophobicContact CD-CE2 4.02Å; K249-F263 HydrophobicContact CG-CE2 3.97Å; K249-F263 WeakPolarHBondContact O-CZ 3.48Å; L251-F263 HydrophobicContact CB-CD1 4.35Å; L251-F263 HydrophobicContact CB-CD2 4.38Å; L251-F263 HydrophobicContact CB-CE1 4.45Å; L251-F263 HydrophobicContact CB-CE2 4.48Å; L251-F263 HydrophobicContact CB-CG 4.3Å; L251-F263 HydrophobicContact CD2-CB 4.13Å; L251-F263 HydrophobicContact CD2-CG 4.33Å; A259-F263 VanDerWaalsContact O-CB 3.3Å; A259-F263 WeakPolarHBondContact O-CB 3.39Å; A259-F263 PolarHBondContact O-N 2.93Å; K260-F263 PolarHBondContact O-N 3.12Å; F263-K265 VanDerWaalsContact C-N 3.3Å; F263-K265 PolarHBondContact O-N 3.48Å; F263-E266 WeakPolarHBondContact O-CB 3.24Å; F263-E266 PolarHBondContact O-N 3Å; F263-I267 HydrophobicContact CD1-CD1 3.73Å; F263-I267 HydrophobicContact CE1-CD1 3.62Å; F263-I267 HydrophobicContact CE1-CG1 4.42Å; F263-I267 PolarHBondContact O-N 3.02Å; F263-F292 HydrophobicContact CD1-CB 3.86Å; F263-F292 HydrophobicContact CD1-CD2 4.33Å; F263-F292 HydrophobicContact CE1-CB 3.77Å; F263-L294 HydrophobicContact CE1-CB 4.21Å; F263-L294 HydrophobicContact CE2-CB 4.43Å; F263-L294 HydrophobicContact CZ-CB 3.7Å
264	C	91.6	Very high	89.6	Confident	33 Å²	33	52.8 Å²	52.8	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-31.1	174.4	-77	0	0	0	0	112.8	K260 S261 N268	K260-C264 WeakPolarHBondContact O-CB 3.44Å; K260-C264 PolarHBondContact O-N 3.37Å; K260-C264 PolarHBondContact O-SG 3.19Å; K260-C264 VanDerWaalsContact O-SG 3.39Å; S261-C264 PolarHBondContact O-N 3.06Å; C264-N268 WeakPolarHBondContact O-CB 3.28Å; C264-N268 VanDerWaalsContact O-CG 3.28Å; C264-N268 PolarHBondContact O-N 3.18Å; C264-N268 PolarHBondContact O-ND2 3.15Å
265	K	88.7	Confident	89.6	Confident	85 Å²	85	43.6 Å²	43.6	37%	0.37	23%	0.231	S	C	.	.	H	α-helix	trans	-65.8	-41.7	172.6	-71.6	169.8	-163.1	160.1	0	111.3	S261 D262 F263 N268 L269	S261-K265 WeakPolarHBondContact O-CG 3.43Å; S261-K265 PolarHBondContact O-N 3.4Å; S261-K265 WeakPolarHBondContact OG-CE 3.33Å; S261-K265 PolarHBondContact OG-NZ 2.9Å; D262-K265 WeakPolarHBondContact O-CB 3.26Å; D262-K265 PolarHBondContact O-N 2.89Å; D262-K265 IonicContact OD1-NZ 3.16Å; D262-K265 PolarHBondContact OD1-NZ 2.95Å; F263-K265 VanDerWaalsContact C-N 3.3Å; F263-K265 PolarHBondContact O-N 3.48Å; K265-N268 PolarHBondContact O-N 3.26Å; K265-L269 WeakPolarHBondContact O-CB 3.16Å; K265-L269 PolarHBondContact O-N 3.08Å
266	E	89.9	Confident	89.8	Confident	5 Å²	5	44.5 Å²	44.5	2%	0.023	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-48.5	174.8	-174.5	178.8	177.7	0	0	111	F212 K249 D262 F263 N268 L269 M270 L294 F387	F212-E266 WeakPolarHBondContact CD2-OE2 3.26Å; F212-E266 WeakPolarHBondContact CE2-OE2 3.38Å; K249-E266 IonicContact NZ-OE1 3.66Å; K249-E266 PolarHBondContact NZ-OE1 2.78Å; K249-E266 IonicContact NZ-OE2 3.69Å; K249-E266 PolarHBondContact NZ-OE2 3.37Å; D262-E266 PolarHBondContact O-N 3.43Å; D262-E266 VanDerWaalsContact O-N 3.1Å; F263-E266 WeakPolarHBondContact O-CB 3.24Å; F263-E266 PolarHBondContact O-N 3Å; E266-N268 PolarHBondContact O-N 3.31Å; E266-L269 WeakPolarHBondContact O-CB 3.42Å; E266-L269 PolarHBondContact O-N 3.41Å; E266-M270 PolarHBondContact O-N 3.29Å; E266-L294 HydrophobicContact CG-CD2 4.35Å; E266-F387 HydrophobicContact CG-CB 4.48Å
267	I	92.3	Very high	90	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-56	-50.3	175.2	-71.4	170.6	0	0	0	111.1	F263 L269 M270 K271 M282 C285 T287 L294	F263-I267 HydrophobicContact CD1-CD1 3.73Å; F263-I267 HydrophobicContact CE1-CD1 3.62Å; F263-I267 HydrophobicContact CE1-CG1 4.42Å; F263-I267 PolarHBondContact O-N 3.02Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 2.93Å; I267-M270 PolarHBondContact O-N 3.39Å; I267-K271 HydrophobicContact CG2-CD 4.27Å; I267-K271 VanDerWaalsContact CG2-CE 3.49Å; I267-K271 WeakPolarHBondContact O-CG 2.94Å; I267-K271 PolarHBondContact O-N 3.43Å; I267-M282 HydrophobicContact CG2-CE 3.81Å; I267-M282 HydrophobicContact CG2-SD 4.27Å; I267-C285 HydrophobicContact CD1-CB 4.07Å; I267-C285 HydrophobicContact CG2-CB 4.01Å; I267-T287 HydrophobicContact CD1-CG2 3.55Å; I267-L294 HydrophobicContact CD1-CB 4.35Å; I267-L294 HydrophobicContact CG1-CB 4.03Å; I267-L294 HydrophobicContact CG1-CD1 4.11Å; I267-L294 HydrophobicContact CG1-CG 4.45Å
268	N	92.1	Very high	90.3	Very high	75 Å²	75	38.9 Å²	38.9	40%	0.401	20%	0.202	S	C	.	.	H	α-helix	trans	-66.4	-30.4	-178.2	-77.1	-47.9	0	0	0	113	C264 K265 E266 R272	C264-N268 WeakPolarHBondContact O-CB 3.28Å; C264-N268 VanDerWaalsContact O-CG 3.28Å; C264-N268 PolarHBondContact O-N 3.18Å; C264-N268 PolarHBondContact O-ND2 3.15Å; K265-N268 PolarHBondContact O-N 3.26Å; E266-N268 PolarHBondContact O-N 3.31Å; N268-R272 WeakPolarHBondContact O-CG 3.48Å; N268-R272 PolarHBondContact O-N 3.27Å
269	L	90.2	Very high	90.8	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-50.6	172.1	171.1	65.4	0	0	0	110.6	K265 E266 I267 K271 R272 L273 Y364 F387 C390	K265-L269 WeakPolarHBondContact O-CB 3.16Å; K265-L269 PolarHBondContact O-N 3.08Å; E266-L269 WeakPolarHBondContact O-CB 3.42Å; E266-L269 PolarHBondContact O-N 3.41Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 2.93Å; L269-K271 VanDerWaalsContact C-N 3.29Å; L269-K271 PolarHBondContact O-N 2.92Å; L269-R272 WeakPolarHBondContact O-CB 3.16Å; L269-R272 PolarHBondContact O-N 2.68Å; L269-L273 HydrophobicContact CD1-CD1 4.26Å; L269-L273 HydrophobicContact CD1-CG 4.15Å; L269-L273 HydrophobicContact CG-CD1 4.1Å; L269-L273 HydrophobicContact CG-CG 4.39Å; L269-L273 WeakPolarHBondContact O-CG 3.37Å; L269-L273 PolarHBondContact O-N 3.08Å; L269-Y364 HydrophobicContact CD1-CD1 3.41Å; L269-Y364 VanDerWaalsContact CD1-CD1 3.41Å; L269-Y364 HydrophobicContact CD1-CE1 3.14Å; L269-Y364 HydrophobicContact CD1-CE2 4.44Å; L269-Y364 HydrophobicContact CD1-CG 4.19Å; L269-F387 HydrophobicContact CD2-CB 3.82Å; L269-C390 HydrophobicContact CD2-CB 3.49Å; L269-C390 VanDerWaalsContact CD2-CB 3.49Å
270	M	92.6	Very high	91.3	Very high	10 Å²	10	36 Å²	36	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-37.6	179.5	-64	-173.4	81	0	0	112.1	E266 I267 R272 L273 G274 V280 M282 L294 V296 F387	E266-M270 PolarHBondContact O-N 3.29Å; I267-M270 PolarHBondContact O-N 3.39Å; M270-R272 VanDerWaalsContact C-N 3.27Å; M270-R272 PolarHBondContact O-N 2.84Å; M270-L273 PolarHBondContact O-N 3.19Å; M270-G274 PolarHBondContact O-N 2.75Å; M270-G274 VanDerWaalsContact O-N 3.08Å; M270-V280 WeakPolarHBondContact CE-O 3.38Å; M270-M282 HydrophobicContact CB-CB 3.81Å; M270-M282 HydrophobicContact CB-CG 4.47Å; M270-M282 HydrophobicContact CB-SD 4Å; M270-M282 HydrophobicContact CE-CB 3.91Å; M270-M282 HydrophobicContact SD-CB 4.22Å; M270-L294 HydrophobicContact SD-CD1 3.89Å; M270-L294 HydrophobicContact SD-CD2 3.78Å; M270-L294 HydrophobicContact SD-CG 4.41Å; M270-V296 HydrophobicContact CE-CG1 3.89Å; M270-V296 HydrophobicContact SD-CG1 4.3Å; M270-F387 HydrophobicContact CE-CD2 4.03Å; M270-F387 HydrophobicContact CE-CE2 4.12Å; M270-F387 HydrophobicContact CG-CD2 4.06Å; M270-F387 HydrophobicContact SD-CD2 4.23Å
271	K	91	Very high	91.4	Very high	37 Å²	37	34.8 Å²	34.8	16%	0.161	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-38.4	171.9	-69.3	177.9	-176.9	173.8	0	112.9	D190 W192 I267 L269 M282 C285	D190-K271 VanDerWaalsContact CG-NZ 3.33Å; D190-K271 IonicContact OD1-NZ 2.68Å; D190-K271 PolarHBondContact OD1-NZ 2.73Å; D190-K271 IonicContact OD2-NZ 3.97Å; D190-K271 PolarHBondContact OD2-NZ 2.87Å; W192-K271 HydrophobicContact CD2-CG 4.34Å; W192-K271 HydrophobicContact CG-CD 4.14Å; W192-K271 HydrophobicContact CG-CG 4Å; I267-K271 HydrophobicContact CG2-CD 4.27Å; I267-K271 VanDerWaalsContact CG2-CE 3.49Å; I267-K271 WeakPolarHBondContact O-CG 2.94Å; I267-K271 PolarHBondContact O-N 3.43Å; L269-K271 VanDerWaalsContact C-N 3.29Å; L269-K271 PolarHBondContact O-N 2.92Å; K271-M282 HydrophobicContact CG-CE 4.3Å; K271-M282 HydrophobicContact CG-SD 3.78Å; K271-C285 PolarHBondContact NZ-SG 3.41Å; K271-C285 VanDerWaalsContact NZ-SG 3.37Å
272	R	89.7	Confident	91.6	Very high	190 Å²	190	32.7 Å²	32.7	72%	0.717	16%	0.157	S	C	*	.	H	α-helix	trans	-79.1	-33.8	179.4	-69.6	174.7	-171.9	-172.4	3.8	112.9	N268 L269 M270 G274 Y364	N268-R272 WeakPolarHBondContact O-CG 3.48Å; N268-R272 PolarHBondContact O-N 3.27Å; L269-R272 WeakPolarHBondContact O-CB 3.16Å; L269-R272 PolarHBondContact O-N 2.68Å; M270-R272 VanDerWaalsContact C-N 3.27Å; M270-R272 PolarHBondContact O-N 2.84Å; R272-G274 VanDerWaalsContact C-N 3.27Å; R272-Y364 WeakPolarHBondContact CB-OH 3.5Å
273	L	90	Very high	92	Very high	4 Å²	4	32 Å²	32	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-35.3	174.9	-72	176.5	0	0	0	111.1	L269 M270 L279 Y358 L359 Y364 F387	L269-L273 HydrophobicContact CD1-CD1 4.26Å; L269-L273 HydrophobicContact CD1-CG 4.15Å; L269-L273 HydrophobicContact CG-CD1 4.1Å; L269-L273 HydrophobicContact CG-CG 4.39Å; L269-L273 WeakPolarHBondContact O-CG 3.37Å; L269-L273 PolarHBondContact O-N 3.08Å; M270-L273 PolarHBondContact O-N 3.19Å; L273-L279 HydrophobicContact CD1-CD1 4.5Å; L273-Y358 PolarHBondContact O-OH 3.06Å; L273-L359 HydrophobicContact CD1-CD2 3.89Å; L273-L359 HydrophobicContact CD2-CD2 3.56Å; L273-L359 HydrophobicContact CG-CD2 4.38Å; L273-Y364 HydrophobicContact CD2-CD2 3.39Å; L273-Y364 HydrophobicContact CD2-CE2 3.6Å; L273-Y364 HydrophobicContact CD2-CG 4.07Å; L273-Y364 HydrophobicContact CG-CE2 4.47Å; L273-F387 HydrophobicContact CD1-CD1 4.07Å; L273-F387 HydrophobicContact CD1-CE1 4.05Å; L273-F387 HydrophobicContact CD1-CG 4.46Å; L273-F387 HydrophobicContact CD1-CZ 4.44Å
274	G	88.8	Confident	92.1	Very high	27 Å²	27	32.1 Å²	32.1	28%	0.278	15%	0.154	S	C	.	.			trans	68	-159	-176.9	0	0	0	0	0	111.9	M270 R272	M270-G274 PolarHBondContact O-N 2.75Å; M270-G274 VanDerWaalsContact O-N 3.08Å; R272-G274 VanDerWaalsContact C-N 3.27Å
275	Y	90.1	Very high	92.2	Very high	17 Å²	17	30.5 Å²	30.5	7%	0.067	14%	0.143	C	C	.	.			trans	-90	132	-175.1	-68.1	-87.8	0	0	0	112.8	W192 S226 S230 A235 W238 N281 M282 L283	W192-Y275 AromaticContact CH2-CE2 3.54Å; W192-Y275 HydrophobicContact CH2-CE2 3.54Å; W192-Y275 AromaticContact CH2-CZ 3.62Å; W192-Y275 VanDerWaalsContact CH2-OH 3.3Å; W192-Y275 WeakPolarHBondContact CH2-OH 3.36Å; W192-Y275 HydrophobicContact CZ2-CE2 4.41Å; W192-Y275 HydrophobicContact CZ3-CE2 4.31Å; W192-Y275 AromaticContact CZ3-CZ 3.94Å; W192-Y275 WeakPolarHBondContact CZ3-OH 3.37Å; S226-Y275 VanDerWaalsContact CB-OH 3.26Å; S226-Y275 WeakPolarHBondContact CB-OH 3.47Å; S230-Y275 WeakPolarHBondContact OG-CD2 3.45Å; A235-Y275 HydrophobicContact CB-CD2 3.52Å; A235-Y275 HydrophobicContact CB-CE2 3.52Å; A235-Y275 HydrophobicContact CB-CG 4.14Å; W238-Y275 AromaticContact CD1-CE1 3.68Å; W238-Y275 HydrophobicContact CG-CE1 4.44Å; Y275-N281 WeakPolarHBondContact CA-OD1 3.38Å; Y275-N281 HydrophobicContact CD1-CB 3.76Å; Y275-N281 WeakPolarHBondContact CD1-OD1 3.46Å; Y275-N281 HydrophobicContact CE1-CB 4.01Å; Y275-M282 PolarHBondContact OH-O 3.26Å; Y275-L283 HydrophobicContact CE1-CD2 4.46Å
276	H	92.7	Very high	92.5	Very high	34 Å²	34	26.5 Å²	26.5	16%	0.157	13%	0.126	C	C	.	.			trans	-144.4	143.4	172.9	-171.4	-95.5	0	0	0	110.8	K278 L279 N281 Y358	H276-K278 VanDerWaalsContact C-N 3.3Å; H276-K278 PolarHBondContact ND1-N 3.03Å; H276-K278 VanDerWaalsContact ND1-N 3.18Å; H276-K278 PolarHBondContact O-N 3.16Å; H276-L279 HydrophobicContact CB-CB 4.17Å; H276-L279 HydrophobicContact CB-CD1 4.03Å; H276-L279 HydrophobicContact CB-CG 3.89Å; H276-L279 PolarHBondContact O-N 3.48Å; H276-N281 PolarHBondContact N-OD1 3.21Å; H276-N281 PolarHBondContact O-ND2 3.25Å; H276-N281 PolarHBondContact O-OD1 3.12Å; H276-Y358 HydrophobicContact CB-CD1 4.1Å; H276-Y358 HydrophobicContact CB-CE1 4.06Å; H276-Y358 AromaticContact CD2-CD1 3.95Å; H276-Y358 AromaticContact CD2-CD2 3.56Å; H276-Y358 AromaticContact CD2-CG 3.5Å; H276-Y358 AromaticContact CG-CD1 3.93Å; H276-Y358 AromaticContact CG-CG 3.93Å; H276-Y358 AromaticContact NE2-CG 3.83Å
277	E	94.2	Very high	92.7	Very high	102 Å²	102	28.1 Å²	28.1	48%	0.477	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-38.9	-173.1	-165.4	-165.9	143.1	0	0	112.2	L234 K383	L234-E277 HydrophobicContact CD1-CB 4.2Å; E277-K383 PolarHBondContact O-NZ 3.01Å; E277-K383 VanDerWaalsContact O-NZ 3.14Å
278	K	97.2	Very high	92.6	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.065	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	12.4	-176	-50.9	-53	-176.3	-162.9	0	114.4	H276 Q351 V354 I382 I384	H276-K278 VanDerWaalsContact C-N 3.3Å; H276-K278 PolarHBondContact ND1-N 3.03Å; H276-K278 VanDerWaalsContact ND1-N 3.18Å; H276-K278 PolarHBondContact O-N 3.16Å; K278-Q351 HydrophobicContact CD-CB 4.12Å; K278-Q351 HydrophobicContact CD-CG 4.42Å; K278-Q351 WeakPolarHBondContact CG-O 3.46Å; K278-V354 HydrophobicContact CG-CB 4.13Å; K278-V354 HydrophobicContact CG-CG1 4.34Å; K278-I382 WeakPolarHBondContact CD-O 3.41Å; K278-I384 PolarHBondContact O-N 2.7Å
279	L	96.3	Very high	92.4	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-115.9	152.1	170	-57.7	-173	0	0	0	109.1	L273 H276 N281 E297 Y358 L359 I384 F387	L273-L279 HydrophobicContact CD1-CD1 4.5Å; H276-L279 HydrophobicContact CB-CB 4.17Å; H276-L279 HydrophobicContact CB-CD1 4.03Å; H276-L279 HydrophobicContact CB-CG 3.89Å; H276-L279 PolarHBondContact O-N 3.48Å; L279-N281 PolarHBondContact O-N 3.28Å; L279-N281 PolarHBondContact O-ND2 2.87Å; L279-N281 VanDerWaalsContact O-ND2 3.08Å; L279-E297 VanDerWaalsContact O-OE1 3.13Å; L279-Y358 HydrophobicContact CD1-CD1 3.71Å; L279-Y358 HydrophobicContact CD1-CE1 3.9Å; L279-Y358 HydrophobicContact CG-CD1 4.48Å; L279-L359 HydrophobicContact CD1-CD2 3.79Å; L279-L359 HydrophobicContact CD1-CG 4.37Å; L279-L359 HydrophobicContact CD2-CD1 4.28Å; L279-L359 HydrophobicContact CD2-CD2 4.39Å; L279-L359 HydrophobicContact CD2-CG 4.19Å; L279-I384 WeakPolarHBondContact CA-O 3.2Å; L279-I384 HydrophobicContact CD2-CB 3.82Å; L279-I384 HydrophobicContact CD2-CD1 4.02Å; L279-I384 HydrophobicContact CD2-CG1 4.34Å; L279-F387 HydrophobicContact CB-CZ 4.13Å; L279-F387 HydrophobicContact CD1-CZ 4.22Å; L279-F387 HydrophobicContact CD2-CE1 4.41Å; L279-F387 HydrophobicContact CD2-CZ 4.06Å; L279-F387 HydrophobicContact CG-CZ 4.36Å
280	V	95.4	Very high	92.4	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	18%	0.18	C	C	.	.			trans	-68.1	115.9	166.8	175.3	0	0	0	0	108.2	M270 V296 E297 L375 K383 I384	M270-V280 WeakPolarHBondContact CE-O 3.38Å; V280-V296 HydrophobicContact CG1-CB 3.75Å; V280-V296 HydrophobicContact CG1-CG1 4.24Å; V280-V296 HydrophobicContact CG1-CG2 3.88Å; V280-E297 WeakPolarHBondContact CA-OE1 3.3Å; V280-E297 HydrophobicContact CG1-CG 4.27Å; V280-L375 HydrophobicContact CG2-CB 4.48Å; V280-L375 HydrophobicContact CG2-CD1 3.64Å; V280-L375 HydrophobicContact CG2-CG 4.18Å; V280-K383 HydrophobicContact CG2-CB 3.84Å; V280-I384 PolarHBondContact N-O 3.21Å
281	N	93.3	Very high	92.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	18%	0.182	C	C	.	.			trans	-84.6	132	-175	-65.6	-75.7	0	0	0	111	Y275 H276 L279 V296 E297	Y275-N281 WeakPolarHBondContact CA-OD1 3.38Å; Y275-N281 HydrophobicContact CD1-CB 3.76Å; Y275-N281 WeakPolarHBondContact CD1-OD1 3.46Å; Y275-N281 HydrophobicContact CE1-CB 4.01Å; H276-N281 PolarHBondContact N-OD1 3.21Å; H276-N281 PolarHBondContact O-ND2 3.25Å; H276-N281 PolarHBondContact O-OD1 3.12Å; L279-N281 PolarHBondContact O-N 3.28Å; L279-N281 PolarHBondContact O-ND2 2.87Å; L279-N281 VanDerWaalsContact O-ND2 3.08Å; N281-V296 WeakPolarHBondContact O-CA 3.25Å; N281-E297 WeakPolarHBondContact CB-OE1 3.29Å; N281-E297 PolarHBondContact N-OE1 3.44Å; N281-E297 PolarHBondContact ND2-OE1 3.41Å; N281-E297 PolarHBondContact O-N 2.71Å
282	M	93.3	Very high	92.6	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.2	167	179.9	-179.6	177.1	0	0	109.4	W192 I267 M270 K271 Y275 A284 C285 L294	W192-M282 HydrophobicContact CB-CE 3.97Å; W192-M282 HydrophobicContact CD2-CE 4.47Å; W192-M282 HydrophobicContact CE3-CE 4.39Å; W192-M282 HydrophobicContact CE3-CG 4.28Å; W192-M282 HydrophobicContact CE3-SD 4.49Å; W192-M282 HydrophobicContact CG-CE 4.33Å; W192-M282 HydrophobicContact CZ3-CG 4.38Å; W192-M282 VanDerWaalsContact CZ3-O 3.23Å; W192-M282 WeakPolarHBondContact CZ3-O 3.41Å; I267-M282 HydrophobicContact CG2-CE 3.81Å; I267-M282 HydrophobicContact CG2-SD 4.27Å; M270-M282 HydrophobicContact CB-CB 3.81Å; M270-M282 HydrophobicContact CB-CG 4.47Å; M270-M282 HydrophobicContact CB-SD 4Å; M270-M282 HydrophobicContact CE-CB 3.91Å; M270-M282 HydrophobicContact SD-CB 4.22Å; K271-M282 HydrophobicContact CG-CE 4.3Å; K271-M282 HydrophobicContact CG-SD 3.78Å; Y275-M282 PolarHBondContact OH-O 3.26Å; M282-A284 VanDerWaalsContact CE-O 3.31Å; M282-A284 WeakPolarHBondContact CE-O 3.32Å; M282-C285 HydrophobicContact CE-CB 3.49Å; M282-C285 VanDerWaalsContact CE-CB 3.49Å; M282-L294 HydrophobicContact CB-CD1 4.48Å; M282-L294 HydrophobicContact CE-CD1 4.23Å; M282-L294 HydrophobicContact CG-CD1 3.85Å; M282-L294 HydrophobicContact SD-CD1 4.07Å
283	L	91.8	Very high	92.9	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-40.8	177.4	-57.8	-177.6	0	0	0	111.2	L224 W238 I246 Y275 I295 E297	L224-L283 HydrophobicContact CD1-CD1 4.32Å; L224-L283 HydrophobicContact CD2-CB 4.09Å; W238-L283 HydrophobicContact CB-CD2 4.48Å; W238-L283 HydrophobicContact CD2-CD2 3.54Å; W238-L283 HydrophobicContact CE3-CD1 4.21Å; W238-L283 HydrophobicContact CE3-CD2 3.9Å; W238-L283 HydrophobicContact CG-CD2 3.8Å; W238-L283 HydrophobicContact CH2-CD1 4.32Å; W238-L283 HydrophobicContact CZ2-CD2 4.26Å; W238-L283 HydrophobicContact CZ3-CD1 4.04Å; W238-L283 HydrophobicContact CZ3-CD2 4.39Å; I246-L283 HydrophobicContact CG2-CD1 3.73Å; Y275-L283 HydrophobicContact CE1-CD2 4.46Å; L283-I295 HydrophobicContact CB-CG2 4.33Å; L283-I295 PolarHBondContact N-O 3.11Å; L283-E297 HydrophobicContact CD1-CB 4.35Å
284	A	92.6	Very high	93.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	171.5	179.6	0	0	0	0	0	111.9	W192 I194 M220 M282 I295	W192-A284 CarbonylContact O-C 3.47Å; W192-A284 VanDerWaalsContact O-CA 3.25Å; W192-A284 WeakPolarHBondContact O-CA 3.21Å; W192-A284 WeakPolarHBondContact O-CB 3.42Å; I194-A284 HydrophobicContact CB-CB 4.48Å; I194-A284 HydrophobicContact CD1-CB 3.76Å; I194-A284 HydrophobicContact CG1-CB 3.98Å; I194-A284 HydrophobicContact CG2-CB 3.74Å; M220-A284 HydrophobicContact CE-CB 4.25Å; M282-A284 VanDerWaalsContact CE-O 3.31Å; M282-A284 WeakPolarHBondContact CE-O 3.32Å; A284-I295 HydrophobicContact CB-CB 4.13Å; A284-I295 HydrophobicContact CB-CD1 4.25Å; A284-I295 PolarHBondContact N-O 3.24Å; A284-I295 WeakPolarHBondContact O-CA 3.46Å; A284-I295 WeakPolarHBondContact O-CB 3.5Å; A284-I295 PolarHBondContact O-N 3.32Å
285	C	94.8	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.6	165.7	56.2	0	0	0	0	111.9	W192 E193 I194 I267 K271 M282 T287 C293	W192-C285 PolarHBondContact O-N 2.73Å; E193-C285 WeakPolarHBondContact CA-O 3.23Å; E193-C285 PolarHBondContact OE2-SG 3.45Å; I194-C285 PolarHBondContact N-O 2.97Å; I194-C285 VanDerWaalsContact N-O 3.09Å; I267-C285 HydrophobicContact CD1-CB 4.07Å; I267-C285 HydrophobicContact CG2-CB 4.01Å; K271-C285 PolarHBondContact NZ-SG 3.41Å; K271-C285 VanDerWaalsContact NZ-SG 3.37Å; M282-C285 HydrophobicContact CE-CB 3.49Å; M282-C285 VanDerWaalsContact CE-CB 3.49Å; C285-T287 HydrophobicContact CB-CG2 4.21Å; C285-C293 CarbonylContact C-O 3.58Å; C285-C293 VanDerWaalsContact CA-O 3.28Å; C285-C293 WeakPolarHBondContact CA-O 3.23Å
286	I	94.5	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	108.5	163.4	-55.4	172.2	0	0	0	106.1	E193 I194 R196 L199 D289 F292 C293 I295	E193-I286 WeakPolarHBondContact OE1-CA 3.14Å; I194-I286 HydrophobicContact CD1-CG1 4.45Å; I194-I286 HydrophobicContact CG1-CD1 4.34Å; I194-I286 HydrophobicContact CG1-CG1 3.81Å; R196-I286 HydrophobicContact CB-CD1 4.12Å; R196-I286 HydrophobicContact CG-CD1 4.4Å; L199-I286 HydrophobicContact CD2-CD1 3.91Å; I286-D289 HydrophobicContact CG2-CB 4.32Å; I286-F292 CarbonylContact O-C 3.53Å; I286-F292 VanDerWaalsContact O-CA 3.26Å; I286-F292 WeakPolarHBondContact O-CA 3.39Å; I286-C293 HydrophobicContact CB-CB 4Å; I286-C293 HydrophobicContact CD1-CB 4.21Å; I286-C293 HydrophobicContact CG1-CB 4.26Å; I286-C293 PolarHBondContact N-O 2.91Å; I286-C293 PolarHBondContact O-N 3.46Å; I286-I295 HydrophobicContact CG1-CD1 4.14Å
287	T	93.8	Very high	93.5	Very high	39 Å²	39	23.9 Å²	23.9	24%	0.239	13%	0.131	C	C	.	.			trans	-129.7	-10.1	178.9	60.4	0	0	0	0	112.3	E193 I267 C285 F292	E193-T287 PolarHBondContact OE1-N 3.4Å; E193-T287 PolarHBondContact OE2-N 3.05Å; E193-T287 PolarHBondContact OE2-OG1 3.37Å; I267-T287 HydrophobicContact CD1-CG2 3.55Å; C285-T287 HydrophobicContact CB-CG2 4.21Å; T287-F292 WeakPolarHBondContact O-CE1 3.33Å; T287-F292 WeakPolarHBondContact O-CZ 3.29Å
288	A	90.2	Very high	93.6	Very high	61 Å²	61	21.3 Å²	21.3	50%	0.504	12%	0.117	S	C	.	.	S	Bend	trans	-78.9	-28	174.2	0	0	0	0	0	113.2	E193	E193-A288 WeakPolarHBondContact OE1-CB 3.22Å; E193-A288 PolarHBondContact OE1-N 3.45Å
289	D	88	Confident	93.5	Very high	92 Å²	92	20.9 Å²	20.9	49%	0.492	12%	0.116	S	C	.	.	S	Bend	trans	-128.3	146	-178.7	-59.4	-46.7	0	0	0	110.5	R196 I286	R196-D289 PolarHBondContact NH2-O 3.41Å; I286-D289 HydrophobicContact CG2-CB 4.32Å
290	E	90.2	Very high	93.5	Very high	86 Å²	86	22.6 Å²	22.6	40%	0.402	13%	0.127	S	C	.	.	S	Bend	trans	-83.2	154.9	173.8	-70.2	-172.7	-176	0	0	112.2	R196 E253 K260 F292	R196-E290 PolarHBondContact NH2-O 3.27Å; E253-E290 HydrophobicContact CG-CB 4.48Å; K260-E290 WeakPolarHBondContact CE-OE1 3.35Å; K260-E290 IonicContact NZ-OE1 2.74Å; K260-E290 PolarHBondContact NZ-OE1 2.83Å; E290-F292 HydrophobicContact CG-CD1 4.21Å; E290-F292 HydrophobicContact CG-CE1 4.08Å
291	P	92.7	Very high	93.5	Very high	17 Å²	17	25.2 Å²	25.2	11%	0.11	14%	0.14	C	C	.	.	S	Bend	cis	-67.1	147.4	-13	27.8	-34.9	0	0	0	112.2	R196 M250 L251 E253 C293	R196-P291 PolarHBondContact NH2-O 3.28Å; M250-P291 HydrophobicContact CE-CB 4.26Å; M250-P291 HydrophobicContact CE-CG 3.49Å; M250-P291 VanDerWaalsContact CE-CG 3.49Å; L251-P291 VanDerWaalsContact O-CB 3.24Å; L251-P291 WeakPolarHBondContact O-CB 3.41Å; E253-P291 HydrophobicContact CG-CB 3.98Å; P291-C293 PolarHBondContact O-N 2.77Å; P291-C293 PolarHBondContact O-SG 3.11Å; P291-C293 VanDerWaalsContact O-SG 3.32Å
292	F	94.9	Very high	93.6	Very high	30 Å²	30	26.7 Å²	26.7	13%	0.132	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-66	136.6	177.4	-70.9	3.2	0	0	0	110.6	M250 L251 K260 F263 I286 T287 E290	M250-F292 WeakPolarHBondContact CA-O 3.35Å; L251-F292 HydrophobicContact CB-CB 4.11Å; L251-F292 HydrophobicContact CD2-CB 4.39Å; L251-F292 HydrophobicContact CD2-CD2 4.27Å; L251-F292 PolarHBondContact N-O 3.29Å; K260-F292 HydrophobicContact CB-CD2 4.49Å; K260-F292 HydrophobicContact CB-CE2 4.06Å; K260-F292 HydrophobicContact CD-CE2 4.36Å; K260-F292 HydrophobicContact CD-CZ 4.48Å; K260-F292 HydrophobicContact CG-CD2 4.45Å; K260-F292 HydrophobicContact CG-CE2 4.18Å; F263-F292 HydrophobicContact CD1-CB 3.86Å; F263-F292 HydrophobicContact CD1-CD2 4.33Å; F263-F292 HydrophobicContact CE1-CB 3.77Å; I286-F292 CarbonylContact O-C 3.53Å; I286-F292 VanDerWaalsContact O-CA 3.26Å; I286-F292 WeakPolarHBondContact O-CA 3.39Å; T287-F292 WeakPolarHBondContact O-CE1 3.33Å; T287-F292 WeakPolarHBondContact O-CZ 3.29Å; E290-F292 HydrophobicContact CG-CD1 4.21Å; E290-F292 HydrophobicContact CG-CE1 4.08Å
293	C	95.1	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.5	-178.6	-57.6	0	0	0	0	111	R196 V248 K249 C285 I286 P291 I295	R196-C293 PolarHBondContact NH1-SG 2.99Å; V248-C293 HydrophobicContact CG1-CB 3.88Å; K249-C293 WeakPolarHBondContact O-CA 3.07Å; C285-C293 CarbonylContact C-O 3.58Å; C285-C293 VanDerWaalsContact CA-O 3.28Å; C285-C293 WeakPolarHBondContact CA-O 3.23Å; I286-C293 HydrophobicContact CB-CB 4Å; I286-C293 HydrophobicContact CD1-CB 4.21Å; I286-C293 HydrophobicContact CG1-CB 4.26Å; I286-C293 PolarHBondContact N-O 2.91Å; I286-C293 PolarHBondContact O-N 3.46Å; P291-C293 PolarHBondContact O-N 2.77Å; P291-C293 PolarHBondContact O-SG 3.11Å; P291-C293 VanDerWaalsContact O-SG 3.32Å; C293-I295 HydrophobicContact CB-CD1 3.85Å
294	L	94.3	Very high	94	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.3	162.9	163.8	62.2	0	0	0	107.2	K249 F263 E266 I267 M270 M282 V296	K249-L294 HydrophobicContact CB-CB 4.25Å; K249-L294 HydrophobicContact CD-CD2 4.29Å; K249-L294 PolarHBondContact N-O 3.47Å; K249-L294 PolarHBondContact O-N 3.06Å; F263-L294 HydrophobicContact CE1-CB 4.21Å; F263-L294 HydrophobicContact CE2-CB 4.43Å; F263-L294 HydrophobicContact CZ-CB 3.7Å; E266-L294 HydrophobicContact CG-CD2 4.35Å; I267-L294 HydrophobicContact CD1-CB 4.35Å; I267-L294 HydrophobicContact CG1-CB 4.03Å; I267-L294 HydrophobicContact CG1-CD1 4.11Å; I267-L294 HydrophobicContact CG1-CG 4.45Å; M270-L294 HydrophobicContact SD-CD1 3.89Å; M270-L294 HydrophobicContact SD-CD2 3.78Å; M270-L294 HydrophobicContact SD-CG 4.41Å; M282-L294 HydrophobicContact CB-CD1 4.48Å; M282-L294 HydrophobicContact CE-CD1 4.23Å; M282-L294 HydrophobicContact CG-CD1 3.85Å; M282-L294 HydrophobicContact SD-CD1 4.07Å; L294-V296 HydrophobicContact CD1-CG1 3.9Å; L294-V296 HydrophobicContact CD2-CG1 4.36Å; L294-V296 HydrophobicContact CG-CG1 3.89Å
295	I	94.4	Very high	94.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.4	-178.5	-58.9	84.6	0	0	0	108.6	I194 L199 M220 I246 V248 L283 A284 I286 C293	I194-I295 HydrophobicContact CD1-CD1 4.22Å; L199-I295 HydrophobicContact CD2-CG1 4.32Å; M220-I295 HydrophobicContact CE-CB 4.46Å; M220-I295 HydrophobicContact CE-CG1 4.39Å; M220-I295 HydrophobicContact CE-CG2 3.79Å; I246-I295 HydrophobicContact CB-CG2 3.95Å; I246-I295 HydrophobicContact CD1-CG2 3.5Å; I246-I295 VanDerWaalsContact CD1-CG2 3.5Å; I246-I295 HydrophobicContact CG1-CG2 4.28Å; I246-I295 HydrophobicContact CG2-CG2 4.1Å; V248-I295 HydrophobicContact CG1-CG1 4.5Å; L283-I295 HydrophobicContact CB-CG2 4.33Å; L283-I295 PolarHBondContact N-O 3.11Å; A284-I295 HydrophobicContact CB-CB 4.13Å; A284-I295 HydrophobicContact CB-CD1 4.25Å; A284-I295 PolarHBondContact N-O 3.24Å; A284-I295 WeakPolarHBondContact O-CA 3.46Å; A284-I295 WeakPolarHBondContact O-CB 3.5Å; A284-I295 PolarHBondContact O-N 3.32Å; I286-I295 HydrophobicContact CG1-CD1 4.14Å; C293-I295 HydrophobicContact CB-CD1 3.85Å
296	V	94.5	Very high	94.3	Very high	18 Å²	18	33.2 Å²	33.2	11%	0.109	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	166.2	-178.6	-57.3	0	0	0	0	110.9	A247 M270 V280 N281 L294	A247-V296 HydrophobicContact CB-CG2 3.85Å; A247-V296 PolarHBondContact N-O 3.04Å; A247-V296 PolarHBondContact O-N 2.95Å; M270-V296 HydrophobicContact CE-CG1 3.89Å; M270-V296 HydrophobicContact SD-CG1 4.3Å; V280-V296 HydrophobicContact CG1-CB 3.75Å; V280-V296 HydrophobicContact CG1-CG1 4.24Å; V280-V296 HydrophobicContact CG1-CG2 3.88Å; N281-V296 WeakPolarHBondContact O-CA 3.25Å; L294-V296 HydrophobicContact CD1-CG1 3.9Å; L294-V296 HydrophobicContact CD2-CG1 4.36Å; L294-V296 HydrophobicContact CG-CG1 3.89Å
297	E	93.1	Very high	94.4	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	139.1	172.5	66.8	-172.5	146.1	0	0	111.6	W238 L279 V280 N281 L283 K383	W238-E297 HydrophobicContact CH2-CB 3.78Å; W238-E297 HydrophobicContact CZ2-CB 3.56Å; W238-E297 WeakPolarHBondContact CZ2-OE2 3.44Å; L279-E297 VanDerWaalsContact O-OE1 3.13Å; V280-E297 WeakPolarHBondContact CA-OE1 3.3Å; V280-E297 HydrophobicContact CG1-CG 4.27Å; N281-E297 WeakPolarHBondContact CB-OE1 3.29Å; N281-E297 PolarHBondContact N-OE1 3.44Å; N281-E297 PolarHBondContact ND2-OE1 3.41Å; N281-E297 PolarHBondContact O-N 2.71Å; L283-E297 HydrophobicContact CD1-CB 4.35Å; E297-K383 VanDerWaalsContact CD-CE 3.42Å; E297-K383 HydrophobicContact CG-CD 4.4Å; E297-K383 WeakPolarHBondContact OE1-CD 3.27Å; E297-K383 WeakPolarHBondContact OE1-CE 3.23Å; E297-K383 IonicContact OE1-NZ 3.51Å; E297-K383 PolarHBondContact OE1-NZ 3.31Å; E297-K383 WeakPolarHBondContact OE2-CE 3.26Å; E297-K383 IonicContact OE2-NZ 2.68Å; E297-K383 PolarHBondContact OE2-NZ 3.2Å
298	Y	95.2	Very high	94.6	Very high	49 Å²	49	31.8 Å²	31.8	19%	0.192	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-82.6	126.1	174.2	177.9	-116.6	0	0	0	110	L207 K217 E245 A247 T300	L207-Y298 HydrophobicContact CD1-CD2 3.78Å; L207-Y298 HydrophobicContact CD1-CE2 3.65Å; L207-Y298 HydrophobicContact CD2-CE2 3.81Å; L207-Y298 HydrophobicContact CG-CE2 4.4Å; K217-Y298 HydrophobicContact CD-CE1 4.35Å; K217-Y298 HydrophobicContact CD-CE2 4.24Å; K217-Y298 HydrophobicContact CG-CD2 4.41Å; K217-Y298 HydrophobicContact CG-CE2 4.29Å; E245-Y298 HydrophobicContact CB-CD1 4.18Å; A247-Y298 HydrophobicContact CB-CD2 4.49Å; Y298-T300 HydrophobicContact CD1-CG2 4.33Å; Y298-T300 HydrophobicContact CE1-CG2 4.06Å
299	C	96	Very high	94.9	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.041	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-99.3	119.4	173.6	-60.5	0	0	0	0	108.6	D301 G302 L375 V376 D377	C299-D301 VanDerWaalsContact C-N 3.3Å; C299-D301 PolarHBondContact O-N 3.46Å; C299-G302 PolarHBondContact O-N 3.39Å; C299-L375 HydrophobicContact CB-CB 3.72Å; C299-L375 HydrophobicContact CB-CD1 4.03Å; C299-L375 HydrophobicContact CB-CG 4.47Å; C299-V376 CarbonylContact C-O 3.54Å; C299-V376 WeakPolarHBondContact CB-O 3.43Å; C299-D377 HydrophobicContact CB-CB 4.22Å
300	T	94.8	Very high	95.2	Very high	39 Å²	39	29.2 Å²	29.2	24%	0.239	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.1	-165.2	46.5	0	0	0	0	115.4	Y298 R378	Y298-T300 HydrophobicContact CD1-CG2 4.33Å; Y298-T300 HydrophobicContact CE1-CG2 4.06Å; T300-R378 HydrophobicContact CG2-CG 3.71Å; T300-R378 VanDerWaalsContact OG1-CG 3.24Å; T300-R378 WeakPolarHBondContact OG1-CG 3.46Å; T300-R378 PolarHBondContact OG1-N 3.36Å; T300-R378 VanDerWaalsContact OG1-N 3.12Å
301	D	95.3	Very high	95.4	Very high	64 Å²	64	26.3 Å²	26.3	34%	0.342	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	9.6	-169.6	-67	-81	0	0	0	113.1	C299 Y307 V376	C299-D301 VanDerWaalsContact C-N 3.3Å; C299-D301 PolarHBondContact O-N 3.46Å; D301-Y307 HydrophobicContact CB-CD2 3.77Å; D301-Y307 HydrophobicContact CB-CE2 3.82Å; D301-V376 WeakPolarHBondContact CA-O 3.4Å; D301-V376 HydrophobicContact CB-CB 3.89Å; D301-V376 HydrophobicContact CB-CG1 3.99Å; D301-V376 WeakPolarHBondContact CB-O 3.3Å; D301-V376 PolarHBondContact N-O 3.11Å
302	G	95.2	Very high	95.4	Very high	33 Å²	33	26.9 Å²	26.9	34%	0.34	14%	0.138	S	C	.	.			trans	73.2	-154.9	175.3	0	0	0	0	0	113.2	C299 L375 V376	C299-G302 PolarHBondContact O-N 3.39Å; G302-L375 CarbonylContact O-C 3.5Å; G302-L375 WeakPolarHBondContact O-CA 3.46Å; G302-V376 PolarHBondContact O-N 3.04Å
303	D	96.3	Very high	95.3	Very high	34 Å²	34	31.5 Å²	31.5	18%	0.182	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-80.6	151.1	177.7	69.6	89.9	0	0	0	112.9	L305 H306 Y307 V374 L375	D303-L305 VanDerWaalsContact C-N 3.27Å; D303-L305 PolarHBondContact O-N 3Å; D303-L305 WeakPolarHBondContact OD1-CB 3.4Å; D303-L305 PolarHBondContact OD1-N 3.21Å; D303-H306 PolarHBondContact O-N 3.24Å; D303-H306 IonicContact OD1-CE1 2.77Å; D303-H306 IonicContact OD1-CG 3.52Å; D303-H306 PolarHBondContact OD1-N 3.4Å; D303-H306 IonicContact OD1-ND1 3.87Å; D303-H306 PolarHBondContact OD1-ND1 3.09Å; D303-H306 IonicContact OD2-CE1 3.63Å; D303-H306 IonicContact OD2-CG 2.69Å; D303-H306 IonicContact OD2-ND1 2.61Å; D303-H306 PolarHBondContact OD2-ND1 2.96Å; D303-Y307 VanDerWaalsContact O-CB 3.29Å; D303-Y307 WeakPolarHBondContact O-CB 3.35Å; D303-Y307 PolarHBondContact O-N 2.98Å; D303-V374 CarbonylContact C-O 3.49Å; D303-V374 VanDerWaalsContact CA-O 3.28Å; D303-V374 WeakPolarHBondContact CA-O 3.31Å; D303-L375 HydrophobicContact CB-CD2 4.01Å
304	L	98.1	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-30.3	-174.9	-179.1	63.4	0	0	0	111.9	Y307 L308 F348 I352 A371 V374 V376 I382 I437	L304-Y307 HydrophobicContact CD1-CD1 4.25Å; L304-L308 HydrophobicContact CD1-CD1 4.03Å; L304-L308 HydrophobicContact CD1-CD2 4.23Å; L304-L308 HydrophobicContact CD1-CG 3.83Å; L304-L308 HydrophobicContact CD2-CD1 4.48Å; L304-L308 HydrophobicContact CG-CD1 3.8Å; L304-L308 HydrophobicContact CG-CG 4.09Å; L304-L308 VanDerWaalsContact O-CB 3.3Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 WeakPolarHBondContact O-CD1 3.03Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.37Å; L304-F348 HydrophobicContact CD1-CD2 3.97Å; L304-F348 HydrophobicContact CD1-CE2 4.31Å; L304-I352 HydrophobicContact CD2-CD1 3.99Å; L304-A371 WeakPolarHBondContact CB-O 3.41Å; L304-A371 PolarHBondContact N-O 3.14Å; L304-V374 HydrophobicContact CB-CB 3.94Å; L304-V374 HydrophobicContact CB-CG1 4.02Å; L304-V374 WeakPolarHBondContact CB-O 3.32Å; L304-V374 HydrophobicContact CD2-CB 4.05Å; L304-V374 HydrophobicContact CD2-CG1 3.78Å; L304-V374 PolarHBondContact N-O 3.33Å; L304-V376 HydrophobicContact CB-CG2 4.06Å; L304-V376 HydrophobicContact CD1-CG2 3.7Å; L304-V376 HydrophobicContact CG-CG2 4.5Å; L304-I382 HydrophobicContact CD1-CD1 4.26Å; L304-I437 HydrophobicContact CD2-CD1 4.24Å; L304-I437 HydrophobicContact CD2-CG1 4.05Å
305	L	97.3	Very high	94.9	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.105	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-50.6	178.5	-179.9	63.3	0	0	0	111.3	D303 Y307 R309 A371 R372	D303-L305 VanDerWaalsContact C-N 3.27Å; D303-L305 PolarHBondContact O-N 3Å; D303-L305 WeakPolarHBondContact OD1-CB 3.4Å; D303-L305 PolarHBondContact OD1-N 3.21Å; L305-Y307 VanDerWaalsContact C-N 3.35Å; L305-R309 WeakPolarHBondContact O-CB 3.32Å; L305-R309 WeakPolarHBondContact O-CG 3.41Å; L305-R309 PolarHBondContact O-N 2.95Å; L305-R309 VanDerWaalsContact O-N 3.09Å; L305-A371 HydrophobicContact CB-CB 3.91Å; L305-A371 HydrophobicContact CD1-CB 4.32Å; L305-A371 PolarHBondContact N-O 2.89Å; L305-R372 HydrophobicContact CB-CB 4.35Å; L305-R372 HydrophobicContact CD2-CB 4.15Å
306	H	96.2	Very high	94.5	Very high	94 Å²	94	34.1 Å²	34.1	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-65.4	-40.9	175.9	-71.6	93.6	0	0	0	111.4	D303 L308 R309 D310 D527	D303-H306 PolarHBondContact O-N 3.24Å; D303-H306 IonicContact OD1-CE1 2.77Å; D303-H306 IonicContact OD1-CG 3.52Å; D303-H306 PolarHBondContact OD1-N 3.4Å; D303-H306 IonicContact OD1-ND1 3.87Å; D303-H306 PolarHBondContact OD1-ND1 3.09Å; D303-H306 IonicContact OD2-CE1 3.63Å; D303-H306 IonicContact OD2-CG 2.69Å; D303-H306 IonicContact OD2-ND1 2.61Å; D303-H306 PolarHBondContact OD2-ND1 2.96Å; H306-L308 PolarHBondContact O-N 2.83Å; H306-R309 PolarHBondContact O-N 2.61Å; H306-D310 WeakPolarHBondContact O-CB 3.2Å; H306-D310 PolarHBondContact O-N 2.8Å; H306-D527 IonicContact NE2-OD2 3.16Å
307	Y	97.5	Very high	94.2	Very high	8 Å²	8	39 Å²	39	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-53.1	-56.2	174.5	-175.7	-88.6	0	0	0	111.5	D301 D303 L304 L305 R309 D310 R311 L340 F348 V376	D301-Y307 HydrophobicContact CB-CD2 3.77Å; D301-Y307 HydrophobicContact CB-CE2 3.82Å; D303-Y307 VanDerWaalsContact O-CB 3.29Å; D303-Y307 WeakPolarHBondContact O-CB 3.35Å; D303-Y307 PolarHBondContact O-N 2.98Å; L304-Y307 HydrophobicContact CD1-CD1 4.25Å; L305-Y307 VanDerWaalsContact C-N 3.35Å; Y307-R309 VanDerWaalsContact C-N 3.35Å; Y307-R309 PolarHBondContact O-N 3.32Å; Y307-D310 PolarHBondContact O-N 2.92Å; Y307-R311 VanDerWaalsContact CE2-NE 3.35Å; Y307-R311 WeakPolarHBondContact O-CD 3.3Å; Y307-R311 PolarHBondContact O-N 3.36Å; Y307-R311 VanDerWaalsContact O-N 3.15Å; Y307-R311 PolarHBondContact OH-NE 2.88Å; Y307-L340 HydrophobicContact CE1-CD1 4.1Å; Y307-L340 HydrophobicContact CE1-CD2 4.13Å; Y307-F348 HydrophobicContact CE1-CE2 4.12Å; Y307-F348 HydrophobicContact CE1-CZ 4.1Å; Y307-V376 HydrophobicContact CD1-CG2 4.22Å; Y307-V376 HydrophobicContact CD2-CB 4Å; Y307-V376 HydrophobicContact CD2-CG1 3.99Å; Y307-V376 HydrophobicContact CD2-CG2 4.05Å; Y307-V376 HydrophobicContact CE2-CB 4.23Å; Y307-V376 HydrophobicContact CE2-CG1 3.69Å; Y307-V376 HydrophobicContact CG-CB 4.36Å; Y307-V376 HydrophobicContact CG-CG2 3.88Å
308	L	97.2	Very high	93.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-42.5	-179.4	-71	169.3	0	0	0	112.1	L304 H306 R311 R312 L340 L345 F348 I437 L440	L304-L308 HydrophobicContact CD1-CD1 4.03Å; L304-L308 HydrophobicContact CD1-CD2 4.23Å; L304-L308 HydrophobicContact CD1-CG 3.83Å; L304-L308 HydrophobicContact CD2-CD1 4.48Å; L304-L308 HydrophobicContact CG-CD1 3.8Å; L304-L308 HydrophobicContact CG-CG 4.09Å; L304-L308 VanDerWaalsContact O-CB 3.3Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 WeakPolarHBondContact O-CD1 3.03Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.37Å; H306-L308 PolarHBondContact O-N 2.83Å; L308-R311 PolarHBondContact O-N 3.03Å; L308-R312 WeakPolarHBondContact O-CB 3.29Å; L308-R312 PolarHBondContact O-N 2.9Å; L308-L340 HydrophobicContact CD2-CD1 3.87Å; L308-L345 HydrophobicContact CD2-CD2 3.9Å; L308-F348 HydrophobicContact CD2-CD2 4.46Å; L308-F348 HydrophobicContact CD2-CE2 4.35Å; L308-I437 HydrophobicContact CD1-CG1 4.33Å; L308-L440 HydrophobicContact CB-CB 4.5Å; L308-L440 HydrophobicContact CD2-CD2 3.88Å
309	R	96.1	Very high	93.3	Very high	39 Å²	39	41.4 Å²	41.4	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-37	-180	-74.3	178.4	174	172.5	1.9	112.9	L305 H306 Y307 R312 K313 G441 V523	L305-R309 WeakPolarHBondContact O-CB 3.32Å; L305-R309 WeakPolarHBondContact O-CG 3.41Å; L305-R309 PolarHBondContact O-N 2.95Å; L305-R309 VanDerWaalsContact O-N 3.09Å; H306-R309 PolarHBondContact O-N 2.61Å; Y307-R309 VanDerWaalsContact C-N 3.35Å; Y307-R309 PolarHBondContact O-N 3.32Å; R309-R312 PolarHBondContact O-N 2.93Å; R309-K313 WeakPolarHBondContact O-CG 3.48Å; R309-K313 PolarHBondContact O-N 2.91Å; R309-G441 PolarHBondContact NE-O 3.4Å; R309-G441 PolarHBondContact NH2-O 3.29Å; R309-V523 VanDerWaalsContact CZ-CG1 3.5Å; R309-V523 VanDerWaalsContact NH2-CG1 3.31Å
310	D	95.2	Very high	92.9	Very high	61 Å²	61	47.5 Å²	47.5	33%	0.326	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-46.7	174.8	-176.9	61	0	0	0	111	H306 Y307 R312 K313 Y314 K338	H306-D310 WeakPolarHBondContact O-CB 3.2Å; H306-D310 PolarHBondContact O-N 2.8Å; Y307-D310 PolarHBondContact O-N 2.92Å; D310-R312 PolarHBondContact O-N 2.79Å; D310-K313 PolarHBondContact O-N 2.96Å; D310-Y314 PolarHBondContact O-N 3.06Å; D310-K338 IonicContact OD1-NZ 2.82Å; D310-K338 IonicContact OD2-NZ 3.66Å; D310-K338 PolarHBondContact OD2-NZ 3.27Å
311	R	93.7	Very high	92.5	Very high	25 Å²	25	51.1 Å²	51.1	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-41	175.7	-79.1	92	178.5	129.7	2	112.3	Y307 L308 K313 Y314 M315 K338 L340	Y307-R311 VanDerWaalsContact CE2-NE 3.35Å; Y307-R311 WeakPolarHBondContact O-CD 3.3Å; Y307-R311 PolarHBondContact O-N 3.36Å; Y307-R311 VanDerWaalsContact O-N 3.15Å; Y307-R311 PolarHBondContact OH-NE 2.88Å; L308-R311 PolarHBondContact O-N 3.03Å; R311-K313 PolarHBondContact O-N 3.14Å; R311-Y314 PolarHBondContact O-N 2.82Å; R311-M315 WeakPolarHBondContact O-CB 3.5Å; R311-M315 VanDerWaalsContact O-CG 3.3Å; R311-M315 WeakPolarHBondContact O-CG 2.96Å; R311-M315 PolarHBondContact O-N 2.76Å; R311-K338 WeakPolarHBondContact CB-O 3.3Å; R311-K338 HydrophobicContact CG-CB 4.18Å; R311-K338 WeakPolarHBondContact CG-O 3.29Å; R311-L340 HydrophobicContact CB-CD1 3.76Å; R311-L340 HydrophobicContact CB-CG 4.04Å; R311-L340 HydrophobicContact CG-CD1 3.91Å; R311-L340 HydrophobicContact CG-CG 3.92Å
312	R	93.1	Very high	91.9	Very high	29 Å²	29	51.2 Å²	51.2	11%	0.109	26%	0.264	C	S	.	.	H	α-helix	trans	-56	-50	173.4	-172.2	-179.7	73.2	-159.8	15	111.8	L308 R309 D310 Y314 M315 V316 L440 G441 L514 Y521	L308-R312 WeakPolarHBondContact O-CB 3.29Å; L308-R312 PolarHBondContact O-N 2.9Å; R309-R312 PolarHBondContact O-N 2.93Å; D310-R312 PolarHBondContact O-N 2.79Å; R312-Y314 VanDerWaalsContact C-N 3.26Å; R312-Y314 PolarHBondContact O-N 2.77Å; R312-M315 PolarHBondContact O-N 3.5Å; R312-V316 HydrophobicContact CG-CG2 4.42Å; R312-V316 VanDerWaalsContact O-CB 3.3Å; R312-V316 WeakPolarHBondContact O-CB 3.43Å; R312-V316 VanDerWaalsContact O-CG2 3.29Å; R312-V316 WeakPolarHBondContact O-CG2 3.27Å; R312-V316 PolarHBondContact O-N 3.46Å; R312-L440 HydrophobicContact CB-CB 3.83Å; R312-L440 HydrophobicContact CB-CD1 4.02Å; R312-L440 HydrophobicContact CG-CB 4.17Å; R312-L440 HydrophobicContact CG-CD1 4.25Å; R312-L440 PolarHBondContact NH1-O 3.26Å; R312-L440 VanDerWaalsContact NH1-O 3.08Å; R312-G441 PolarHBondContact NH1-O 2.77Å; R312-L514 HydrophobicContact CG-CD1 4.36Å; R312-L514 HydrophobicContact CG-CD2 4.26Å; R312-Y521 VanDerWaalsContact CD-CE1 3.47Å
313	K	92.2	Very high	91.1	Very high	127 Å²	127	51.2 Å²	51.2	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-58.4	-41	178.2	-73.7	173.2	-176.8	177	0	111.3	R309 D310 R311 K317	R309-K313 WeakPolarHBondContact O-CG 3.48Å; R309-K313 PolarHBondContact O-N 2.91Å; D310-K313 PolarHBondContact O-N 2.96Å; R311-K313 PolarHBondContact O-N 3.14Å; K313-K317 WeakPolarHBondContact O-CB 3.38Å; K313-K317 PolarHBondContact O-N 3.49Å; K313-K317 VanDerWaalsContact O-N 3.1Å
314	Y	91.5	Very high	90.1	Very high	40 Å²	40	53.2 Å²	53.2	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-50.2	178.1	-175.4	-106.7	0	0	0	112.5	D310 R311 R312 V316 K317 L318 D335 K338 I339	D310-Y314 PolarHBondContact O-N 3.06Å; R311-Y314 PolarHBondContact O-N 2.82Å; R312-Y314 VanDerWaalsContact C-N 3.26Å; R312-Y314 PolarHBondContact O-N 2.77Å; Y314-V316 VanDerWaalsContact C-N 3.34Å; Y314-V316 PolarHBondContact O-N 3.31Å; Y314-K317 WeakPolarHBondContact O-CB 3.07Å; Y314-K317 PolarHBondContact O-N 2.78Å; Y314-K317 VanDerWaalsContact O-N 3.13Å; Y314-L318 HydrophobicContact CD1-CD1 3.97Å; Y314-L318 HydrophobicContact CE1-CD1 3.54Å; Y314-L318 HydrophobicContact CE1-CG 4.22Å; Y314-L318 WeakPolarHBondContact O-CG 3.49Å; Y314-L318 PolarHBondContact O-N 2.76Å; Y314-L318 VanDerWaalsContact O-N 3.1Å; Y314-D335 HydrophobicContact CE1-CB 4.26Å; Y314-D335 WeakPolarHBondContact CE1-O 3.39Å; Y314-D335 HydrophobicContact CE2-CB 4.44Å; Y314-D335 PolarHBondContact OH-N 3.36Å; Y314-K338 HydrophobicContact CD1-CB 3.34Å; Y314-K338 HydrophobicContact CD1-CD 4.11Å; Y314-K338 HydrophobicContact CD1-CG 4.37Å; Y314-K338 HydrophobicContact CD2-CD 4.02Å; Y314-K338 HydrophobicContact CE1-CB 3.82Å; Y314-K338 HydrophobicContact CG-CB 3.86Å; Y314-K338 HydrophobicContact CG-CD 3.79Å; Y314-I339 HydrophobicContact CD1-CD1 3.99Å; Y314-I339 HydrophobicContact CE1-CD1 3.83Å
315	M	89	Confident	88.9	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-40.5	179.3	-67.7	169.8	67.5	0	0	112.3	R311 R312 L318 E319 I325 I339 L340 L440 Y511 L514	R311-M315 WeakPolarHBondContact O-CB 3.5Å; R311-M315 VanDerWaalsContact O-CG 3.3Å; R311-M315 WeakPolarHBondContact O-CG 2.96Å; R311-M315 PolarHBondContact O-N 2.76Å; R312-M315 PolarHBondContact O-N 3.5Å; M315-L318 WeakPolarHBondContact O-CB 3.35Å; M315-L318 PolarHBondContact O-N 3.07Å; M315-E319 PolarHBondContact O-N 2.87Å; M315-E319 VanDerWaalsContact O-N 3.09Å; M315-I325 HydrophobicContact CB-CD1 4.3Å; M315-I339 HydrophobicContact CG-CD1 3.96Å; M315-L340 WeakPolarHBondContact CE-O 3.44Å; M315-L340 HydrophobicContact SD-CB 4.39Å; M315-L440 HydrophobicContact SD-CD1 4.1Å; M315-Y511 HydrophobicContact CE-CD1 3.97Å; M315-L514 HydrophobicContact CB-CD1 3.76Å; M315-L514 HydrophobicContact CE-CD1 4.18Å
316	V	87.2	Confident	87.5	Confident	14 Å²	14	60.6 Å²	60.6	9%	0.085	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-46.3	172.5	157.8	0	0	0	0	111.6	R312 Y314 L318 E319 E320 L514 Q516	R312-V316 HydrophobicContact CG-CG2 4.42Å; R312-V316 VanDerWaalsContact O-CB 3.3Å; R312-V316 WeakPolarHBondContact O-CB 3.43Å; R312-V316 VanDerWaalsContact O-CG2 3.29Å; R312-V316 WeakPolarHBondContact O-CG2 3.27Å; R312-V316 PolarHBondContact O-N 3.46Å; Y314-V316 VanDerWaalsContact C-N 3.34Å; Y314-V316 PolarHBondContact O-N 3.31Å; V316-L318 PolarHBondContact O-N 3.35Å; V316-E319 PolarHBondContact O-N 2.7Å; V316-E320 HydrophobicContact CG1-CG 4.45Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.45Å; V316-E320 WeakPolarHBondContact O-CG 3.42Å; V316-E320 PolarHBondContact O-N 3.47Å; V316-L514 HydrophobicContact CG2-CB 4.21Å; V316-L514 HydrophobicContact CG2-CD1 4.14Å; V316-Q516 VanDerWaalsContact CG1-CD 3.47Å; V316-Q516 HydrophobicContact CG1-CG 4.2Å; V316-Q516 HydrophobicContact CG2-CG 3.95Å
317	K	88.2	Confident	86.1	Confident	122 Å²	122	60.5 Å²	60.5	53%	0.53	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-36.7	178.4	-179.4	-174.3	175.1	-171	0	111.7	K313 Y314 L321	K313-K317 WeakPolarHBondContact O-CB 3.38Å; K313-K317 PolarHBondContact O-N 3.49Å; K313-K317 VanDerWaalsContact O-N 3.1Å; Y314-K317 WeakPolarHBondContact O-CB 3.07Å; Y314-K317 PolarHBondContact O-N 2.78Å; Y314-K317 VanDerWaalsContact O-N 3.13Å; K317-L321 HydrophobicContact CG-CD1 4.39Å; K317-L321 VanDerWaalsContact O-CG 3.29Å; K317-L321 WeakPolarHBondContact O-CG 3.31Å; K317-L321 PolarHBondContact O-N 3.09Å; K317-L321 VanDerWaalsContact O-N 3.16Å
318	L	86.3	Confident	84.4	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-43.2	176.6	-65.6	172.4	0	0	0	111.9	Y314 M315 V316 E320 L321 G322 I323 I325 M334 I339	Y314-L318 HydrophobicContact CD1-CD1 3.97Å; Y314-L318 HydrophobicContact CE1-CD1 3.54Å; Y314-L318 HydrophobicContact CE1-CG 4.22Å; Y314-L318 WeakPolarHBondContact O-CG 3.49Å; Y314-L318 PolarHBondContact O-N 2.76Å; Y314-L318 VanDerWaalsContact O-N 3.1Å; M315-L318 WeakPolarHBondContact O-CB 3.35Å; M315-L318 PolarHBondContact O-N 3.07Å; V316-L318 PolarHBondContact O-N 3.35Å; L318-E320 VanDerWaalsContact C-N 3.34Å; L318-E320 PolarHBondContact O-N 3.27Å; L318-L321 CarbonylContact O-C 3.53Å; L318-L321 PolarHBondContact O-N 3.36Å; L318-L321 VanDerWaalsContact O-N 3.14Å; L318-G322 PolarHBondContact O-N 2.59Å; L318-I323 HydrophobicContact CB-CB 4.34Å; L318-I323 HydrophobicContact CD2-CB 4.49Å; L318-I323 HydrophobicContact CD2-CD1 3.7Å; L318-I323 HydrophobicContact CD2-CG2 4.49Å; L318-I323 PolarHBondContact O-N 3.36Å; L318-I325 HydrophobicContact CB-CD1 4.33Å; L318-I325 HydrophobicContact CB-CG1 4.23Å; L318-I325 HydrophobicContact CD1-CD1 4.46Å; L318-I325 HydrophobicContact CD1-CG1 4.26Å; L318-M334 HydrophobicContact CD1-CE 3.62Å; L318-M334 HydrophobicContact CD2-CE 4.34Å; L318-M334 HydrophobicContact CD2-CG 4.43Å; L318-I339 HydrophobicContact CD1-CD1 3.45Å; L318-I339 VanDerWaalsContact CD1-CD1 3.45Å
319	E	83.2	Confident	82.7	Confident	103 Å²	103	69.5 Å²	69.5	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-42	175.3	-173.3	174.2	-166.7	0	0	111.4	M315 V316 L321 G322	M315-E319 PolarHBondContact O-N 2.87Å; M315-E319 VanDerWaalsContact O-N 3.09Å; V316-E319 PolarHBondContact O-N 2.7Å; E319-L321 PolarHBondContact O-N 3.47Å; E319-G322 PolarHBondContact O-N 2.85Å
320	E	86.3	Confident	80.9	Confident	134 Å²	134	74 Å²	74	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-62.8	-29.2	174.7	-72.9	173.9	-178.9	0	0	113.2	V316 L318 G322 Q516	V316-E320 HydrophobicContact CG1-CG 4.45Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.45Å; V316-E320 WeakPolarHBondContact O-CG 3.42Å; V316-E320 PolarHBondContact O-N 3.47Å; L318-E320 VanDerWaalsContact C-N 3.34Å; L318-E320 PolarHBondContact O-N 3.27Å; E320-G322 VanDerWaalsContact C-N 3.26Å; E320-Q516 PolarHBondContact OE1-NE2 3.32Å
321	L	86.4	Confident	79.5	Confident	115 Å²	115	75.4 Å²	75.4	60%	0.602	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-2	173.6	-69.2	171.3	0	0	0	113.1	K317 L318 E319 I323	K317-L321 HydrophobicContact CG-CD1 4.39Å; K317-L321 VanDerWaalsContact O-CG 3.29Å; K317-L321 WeakPolarHBondContact O-CG 3.31Å; K317-L321 PolarHBondContact O-N 3.09Å; K317-L321 VanDerWaalsContact O-N 3.16Å; L318-L321 CarbonylContact O-C 3.53Å; L318-L321 PolarHBondContact O-N 3.36Å; L318-L321 VanDerWaalsContact O-N 3.14Å; E319-L321 PolarHBondContact O-N 3.47Å; L321-I323 HydrophobicContact CB-CD1 3.95Å; L321-I323 HydrophobicContact CB-CG1 4.01Å; L321-I323 HydrophobicContact CD1-CD1 4.1Å; L321-I323 PolarHBondContact O-N 3.15Å
322	G	82.5	Confident	78	Confident	66 Å²	66	78.5 Å²	78.5	68%	0.68	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	20.1	-175.8	0	0	0	0	0	113.6	L318 E319 E320	L318-G322 PolarHBondContact O-N 2.59Å; E319-G322 PolarHBondContact O-N 2.85Å; E320-G322 VanDerWaalsContact C-N 3.26Å
323	I	80.4	Confident	77.2	Confident	33 Å²	33	84.9 Å²	84.9	17%	0.169	46%	0.456	C	S	.	.			trans	-78.9	122.5	177.9	-64.6	170	0	0	0	108.4	L318 L321 I325 M334	L318-I323 HydrophobicContact CB-CB 4.34Å; L318-I323 HydrophobicContact CD2-CB 4.49Å; L318-I323 HydrophobicContact CD2-CD1 3.7Å; L318-I323 HydrophobicContact CD2-CG2 4.49Å; L318-I323 PolarHBondContact O-N 3.36Å; L321-I323 HydrophobicContact CB-CD1 3.95Å; L321-I323 HydrophobicContact CB-CG1 4.01Å; L321-I323 HydrophobicContact CD1-CD1 4.1Å; L321-I323 PolarHBondContact O-N 3.15Å; I323-I325 PolarHBondContact O-N 3.5Å; I323-I325 VanDerWaalsContact O-N 3.16Å; I323-M334 HydrophobicContact CG2-CE 4.34Å; I323-M334 HydrophobicContact CG2-SD 3.66Å
324	D	75.2	Confident	76.6	Confident	77 Å²	77	80.1 Å²	80.1	41%	0.412	44%	0.436	S	S	.	.			trans	-76.5	103.2	173.8	-175.9	1.7	0	0	0	110.1	Q326 N327 A328	D324-Q326 PolarHBondContact O-N 2.89Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.48Å; D324-Q326 PolarHBondContact OD1-N 3.44Å; D324-N327 HydrophobicContact CB-CB 4.38Å; D324-N327 CarbonylContact O-C 3.49Å; D324-N327 PolarHBondContact O-N 2.96Å; D324-N327 PolarHBondContact OD2-ND2 3.39Å; D324-A328 PolarHBondContact O-N 3.45Å
325	I	72.4	Confident	76.3	Confident	48 Å²	48	81.3 Å²	81.3	25%	0.246	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-59.2	-26.5	179.5	-58	174.2	0	0	0	111.3	M315 L318 I323 N327 A328 I339	M315-I325 HydrophobicContact CB-CD1 4.3Å; L318-I325 HydrophobicContact CB-CD1 4.33Å; L318-I325 HydrophobicContact CB-CG1 4.23Å; L318-I325 HydrophobicContact CD1-CD1 4.46Å; L318-I325 HydrophobicContact CD1-CG1 4.26Å; I323-I325 PolarHBondContact O-N 3.5Å; I323-I325 VanDerWaalsContact O-N 3.16Å; I325-N327 PolarHBondContact O-N 3.35Å; I325-A328 WeakPolarHBondContact O-CB 3.43Å; I325-A328 PolarHBondContact O-N 3.17Å; I325-I339 HydrophobicContact CG2-CD1 4.07Å; I325-I339 HydrophobicContact CG2-CG1 4.34Å; I325-I339 HydrophobicContact CG2-CG2 3.56Å
326	Q	67.5	Low	76	Confident	126 Å²	126	85.8 Å²	85.8	59%	0.589	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-71.6	-22	177.4	-57.2	-170.9	-6.1	0	0	112.5	D324	D324-Q326 PolarHBondContact O-N 2.89Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.48Å; D324-Q326 PolarHBondContact OD1-N 3.44Å
327	N	66.8	Low	76	Confident	92 Å²	92	90.9 Å²	90.9	49%	0.492	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-112.7	24.4	-179.8	-72.4	-57.5	0	0	0	112.3	D324 I325 E329 N330	D324-N327 HydrophobicContact CB-CB 4.38Å; D324-N327 CarbonylContact O-C 3.49Å; D324-N327 PolarHBondContact O-N 2.96Å; D324-N327 PolarHBondContact OD2-ND2 3.39Å; I325-N327 PolarHBondContact O-N 3.35Å; N327-E329 PolarHBondContact O-N 2.91Å; N327-N330 PolarHBondContact O-N 3.26Å
328	A	61.8	Low	76	Confident	11 Å²	11	87.5 Å²	87.5	9%	0.091	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-54.5	-27	-172.4	0	0	0	0	0	114.8	D324 I325 N330 H331 M334 L336	D324-A328 PolarHBondContact O-N 3.45Å; I325-A328 WeakPolarHBondContact O-CB 3.43Å; I325-A328 PolarHBondContact O-N 3.17Å; A328-N330 PolarHBondContact O-N 2.91Å; A328-H331 PolarHBondContact O-N 3.29Å; A328-M334 HydrophobicContact CB-CE 3.39Å; A328-M334 HydrophobicContact CB-SD 3.64Å; A328-L336 HydrophobicContact CB-CD2 3.75Å
329	E	61.5	Low	76.2	Confident	186 Å²	186	88.5 Å²	88.5	87%	0.869	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-57.2	-23.2	179.7	-62.9	-173	170.7	0	0	113.5	N327 H331	N327-E329 PolarHBondContact O-N 2.91Å; E329-H331 VanDerWaalsContact C-N 3.35Å
330	N	58.8	Low	76.5	Confident	135 Å²	135	83.7 Å²	83.7	72%	0.722	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-83.2	-8.4	179	-66.1	-50.3	0	0	0	114	N327 A328	N327-N330 PolarHBondContact O-N 3.26Å; A328-N330 PolarHBondContact O-N 2.91Å
331	H	64.7	Low	76.6	Confident	89 Å²	89	79.3 Å²	79.3	41%	0.412	45%	0.447	S	S	.	.			trans	-110.6	88	-178.2	-70.8	-78.8	0	0	0	110.1	A328 E329 D333 M334	A328-H331 PolarHBondContact O-N 3.29Å; E329-H331 VanDerWaalsContact C-N 3.35Å; H331-D333 PolarHBondContact O-N 3.46Å; H331-M334 HydrophobicContact CB-CG 3.75Å; H331-M334 HydrophobicContact CB-SD 3.6Å; H331-M334 WeakPolarHBondContact O-CB 3.49Å; H331-M334 PolarHBondContact O-N 3.16Å
332	G	63.4	Low	76.8	Confident	91 Å²	91	74.4 Å²	74.4	94%	0.938	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	2.7	-174.1	0	0	0	0	0	117.5
333	D	76	Confident	77.2	Confident	163 Å²	163	75.4 Å²	75.4	87%	0.872	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	11.8	176.5	-160	26.5	0	0	0	112.4	H331	H331-D333 PolarHBondContact O-N 3.46Å
334	M	78.5	Confident	77.8	Confident	26 Å²	26	75.1 Å²	75.1	13%	0.128	41%	0.406	C	S	.	.			trans	-85	133.9	177.6	-71.8	-175.3	59.5	0	0	112.2	L318 I323 A328 H331 L336 I339	L318-M334 HydrophobicContact CD1-CE 3.62Å; L318-M334 HydrophobicContact CD2-CE 4.34Å; L318-M334 HydrophobicContact CD2-CG 4.43Å; I323-M334 HydrophobicContact CG2-CE 4.34Å; I323-M334 HydrophobicContact CG2-SD 3.66Å; A328-M334 HydrophobicContact CB-CE 3.39Å; A328-M334 HydrophobicContact CB-SD 3.64Å; H331-M334 HydrophobicContact CB-CG 3.75Å; H331-M334 HydrophobicContact CB-SD 3.6Å; H331-M334 WeakPolarHBondContact O-CB 3.49Å; H331-M334 PolarHBondContact O-N 3.16Å; M334-L336 HydrophobicContact CB-CD2 4.45Å; M334-L336 PolarHBondContact O-N 2.87Å; M334-I339 HydrophobicContact CE-CD1 4.3Å; M334-I339 HydrophobicContact CE-CG1 4.46Å
335	D	85.5	Confident	78.8	Confident	65 Å²	65	71.5 Å²	71.5	35%	0.348	39%	0.387	S	S	.	.			trans	-84.4	87	169.2	-174	-7.8	0	0	0	108.5	Y314 D337 K338	Y314-D335 HydrophobicContact CE1-CB 4.26Å; Y314-D335 WeakPolarHBondContact CE1-O 3.39Å; Y314-D335 HydrophobicContact CE2-CB 4.44Å; Y314-D335 PolarHBondContact OH-N 3.36Å; D335-D337 PolarHBondContact O-N 3.34Å; D335-D337 PolarHBondContact OD1-N 3.03Å; D335-K338 HydrophobicContact CB-CD 4.38Å; D335-K338 HydrophobicContact CB-CG 4.39Å; D335-K338 PolarHBondContact O-N 2.86Å; D335-K338 VanDerWaalsContact O-N 3.09Å; D335-K338 VanDerWaalsContact OD2-CD 3.31Å; D335-K338 WeakPolarHBondContact OD2-CD 3.5Å; D335-K338 WeakPolarHBondContact OD2-CE 3.31Å; D335-K338 WeakPolarHBondContact OD2-CG 3.47Å
336	L	84	Confident	79.9	Confident	98 Å²	98	69.2 Å²	69.2	51%	0.513	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-60.9	-26.2	-177.7	-65.4	174.8	0	0	0	112.4	A328 M334 K338 I339	A328-L336 HydrophobicContact CB-CD2 3.75Å; M334-L336 HydrophobicContact CB-CD2 4.45Å; M334-L336 PolarHBondContact O-N 2.87Å; L336-K338 PolarHBondContact O-N 3.47Å; L336-I339 PolarHBondContact O-N 3.06Å; L336-I339 VanDerWaalsContact O-N 3.09Å
337	D	85.7	Confident	81.3	Confident	122 Å²	122	64.8 Å²	64.8	65%	0.652	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-68.9	-18	178.4	-70.6	-20.7	0	0	0	112.6	D335	D335-D337 PolarHBondContact O-N 3.34Å; D335-D337 PolarHBondContact OD1-N 3.03Å
338	K	89.6	Confident	82.8	Confident	50 Å²	50	60.4 Å²	60.4	22%	0.217	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-89.5	-5.8	173.8	-69.9	-171.8	-177.6	-133.4	0	114.2	D310 R311 Y314 D335 L336	D310-K338 IonicContact OD1-NZ 2.82Å; D310-K338 IonicContact OD2-NZ 3.66Å; D310-K338 PolarHBondContact OD2-NZ 3.27Å; R311-K338 WeakPolarHBondContact CB-O 3.3Å; R311-K338 HydrophobicContact CG-CB 4.18Å; R311-K338 WeakPolarHBondContact CG-O 3.29Å; Y314-K338 HydrophobicContact CD1-CB 3.34Å; Y314-K338 HydrophobicContact CD1-CD 4.11Å; Y314-K338 HydrophobicContact CD1-CG 4.37Å; Y314-K338 HydrophobicContact CD2-CD 4.02Å; Y314-K338 HydrophobicContact CE1-CB 3.82Å; Y314-K338 HydrophobicContact CG-CB 3.86Å; Y314-K338 HydrophobicContact CG-CD 3.79Å; D335-K338 HydrophobicContact CB-CD 4.38Å; D335-K338 HydrophobicContact CB-CG 4.39Å; D335-K338 PolarHBondContact O-N 2.86Å; D335-K338 VanDerWaalsContact O-N 3.09Å; D335-K338 VanDerWaalsContact OD2-CD 3.31Å; D335-K338 WeakPolarHBondContact OD2-CD 3.5Å; D335-K338 WeakPolarHBondContact OD2-CE 3.31Å; D335-K338 WeakPolarHBondContact OD2-CG 3.47Å; L336-K338 PolarHBondContact O-N 3.47Å
339	I	89.1	Confident	84.6	Confident	29 Å²	29	59.9 Å²	59.9	15%	0.149	33%	0.33	C	S	.	.			trans	-85.4	121.7	174.5	-54.1	-56.8	0	0	0	108.8	Y314 M315 L318 I325 M334 L336	Y314-I339 HydrophobicContact CD1-CD1 3.99Å; Y314-I339 HydrophobicContact CE1-CD1 3.83Å; M315-I339 HydrophobicContact CG-CD1 3.96Å; L318-I339 HydrophobicContact CD1-CD1 3.45Å; L318-I339 VanDerWaalsContact CD1-CD1 3.45Å; I325-I339 HydrophobicContact CG2-CD1 4.07Å; I325-I339 HydrophobicContact CG2-CG1 4.34Å; I325-I339 HydrophobicContact CG2-CG2 3.56Å; M334-I339 HydrophobicContact CE-CD1 4.3Å; M334-I339 HydrophobicContact CE-CG1 4.46Å; L336-I339 PolarHBondContact O-N 3.06Å; L336-I339 VanDerWaalsContact O-N 3.09Å
340	L	90.6	Very high	86.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.302	C	S	.	.			trans	-107.2	127.1	173.5	-63.4	177.2	0	0	0	109.9	Y307 L308 R311 M315 D344 L345 F348 L440	Y307-L340 HydrophobicContact CE1-CD1 4.1Å; Y307-L340 HydrophobicContact CE1-CD2 4.13Å; L308-L340 HydrophobicContact CD2-CD1 3.87Å; R311-L340 HydrophobicContact CB-CD1 3.76Å; R311-L340 HydrophobicContact CB-CG 4.04Å; R311-L340 HydrophobicContact CG-CD1 3.91Å; R311-L340 HydrophobicContact CG-CG 3.92Å; M315-L340 WeakPolarHBondContact CE-O 3.44Å; M315-L340 HydrophobicContact SD-CB 4.39Å; L340-D344 WeakPolarHBondContact CA-OD2 3.47Å; L340-D344 HydrophobicContact CD2-CB 4.03Å; L340-L345 HydrophobicContact CB-CD2 4.43Å; L340-L345 HydrophobicContact CD1-CD2 4.25Å; L340-F348 HydrophobicContact CD1-CE2 4.34Å; L340-F348 HydrophobicContact CD2-CE2 4.22Å; L340-F348 HydrophobicContact CD2-CZ 4.03Å; L340-L440 HydrophobicContact CD1-CD2 4.07Å
341	C	87.8	Confident	88.2	Confident	42 Å²	42	48.6 Å²	48.6	28%	0.284	27%	0.27	S	S	.	.			trans	-101	172.1	171.8	68.3	0	0	0	0	111.2	K343 D344 L345	C341-K343 PolarHBondContact O-N 3.26Å; C341-D344 PolarHBondContact N-OD2 2.77Å; C341-D344 VanDerWaalsContact N-OD2 3.17Å; C341-D344 WeakPolarHBondContact O-CB 3.16Å; C341-D344 PolarHBondContact O-N 3.32Å; C341-L345 PolarHBondContact O-N 2.86Å
342	L	90.8	Very high	89.9	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-37	177.9	179	63	0	0	0	112	D344 L345 V346 I438 P470 I505 Y509	L342-D344 VanDerWaalsContact C-N 3.29Å; L342-D344 PolarHBondContact O-N 2.82Å; L342-L345 PolarHBondContact O-N 3.17Å; L342-V346 HydrophobicContact CD1-CG2 3.96Å; L342-V346 HydrophobicContact CG-CG2 4.22Å; L342-V346 WeakPolarHBondContact O-CG2 3.26Å; L342-V346 PolarHBondContact O-N 3.25Å; L342-I438 HydrophobicContact CD1-CD1 3.83Å; L342-P470 HydrophobicContact CD1-CG 3.79Å; L342-P470 HydrophobicContact CD2-CG 3.63Å; L342-P470 HydrophobicContact CG-CG 4.35Å; L342-I505 HydrophobicContact CD2-CD1 4.46Å; L342-I505 HydrophobicContact CD2-CG1 4.46Å; L342-I505 HydrophobicContact CG-CD1 4.23Å; L342-Y509 HydrophobicContact CD2-CD1 4.05Å; L342-Y509 HydrophobicContact CD2-CG 4.42Å
343	K	90.9	Very high	91.5	Very high	87 Å²	87	40.1 Å²	40.1	38%	0.378	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-40.4	176.8	-168.8	176.8	178.4	176.5	0	111.9	C341 S347 L502 I505 E507	C341-K343 PolarHBondContact O-N 3.26Å; K343-S347 WeakPolarHBondContact O-CB 3.2Å; K343-S347 PolarHBondContact O-N 2.65Å; K343-L502 HydrophobicContact CG-CD2 4.48Å; K343-I505 HydrophobicContact CB-CG2 3.9Å; K343-I505 HydrophobicContact CG-CG2 4.35Å; K343-E507 IonicContact NZ-OE1 2.88Å
344	D	93.9	Very high	92.6	Very high	27 Å²	27	33.7 Å²	33.7	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-47.1	175.5	-67.5	-46	0	0	0	111	L340 C341 L342 V346 S347 F348 K380	L340-D344 WeakPolarHBondContact CA-OD2 3.47Å; L340-D344 HydrophobicContact CD2-CB 4.03Å; C341-D344 PolarHBondContact N-OD2 2.77Å; C341-D344 VanDerWaalsContact N-OD2 3.17Å; C341-D344 WeakPolarHBondContact O-CB 3.16Å; C341-D344 PolarHBondContact O-N 3.32Å; L342-D344 VanDerWaalsContact C-N 3.29Å; L342-D344 PolarHBondContact O-N 2.82Å; D344-V346 PolarHBondContact O-N 3.35Å; D344-S347 WeakPolarHBondContact O-CB 3.43Å; D344-S347 PolarHBondContact O-N 2.92Å; D344-S347 VanDerWaalsContact O-N 3.15Å; D344-F348 HydrophobicContact CB-CE1 4.34Å; D344-F348 HydrophobicContact CB-CE2 4.46Å; D344-F348 HydrophobicContact CB-CZ 4.04Å; D344-F348 WeakPolarHBondContact O-CD1 3.2Å; D344-F348 WeakPolarHBondContact O-CG 3.35Å; D344-F348 PolarHBondContact O-N 3.2Å; D344-K380 IonicContact OD1-NZ 3.95Å; D344-K380 PolarHBondContact OD1-NZ 2.82Å; D344-K380 IonicContact OD2-NZ 2.96Å; D344-K380 PolarHBondContact OD2-NZ 3.28Å
345	L	95.8	Very high	93.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-41.3	-177.3	-58.1	-176.6	0	0	0	112.6	L308 L340 C341 L342 S347 F348 S349 I437 I438 L440 Y511	L308-L345 HydrophobicContact CD2-CD2 3.9Å; L340-L345 HydrophobicContact CB-CD2 4.43Å; L340-L345 HydrophobicContact CD1-CD2 4.25Å; C341-L345 PolarHBondContact O-N 2.86Å; L342-L345 PolarHBondContact O-N 3.17Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-F348 HydrophobicContact CD2-CD2 4.31Å; L345-F348 HydrophobicContact CD2-CE2 4.33Å; L345-F348 PolarHBondContact O-N 3.29Å; L345-S349 PolarHBondContact O-N 3.3Å; L345-S349 VanDerWaalsContact O-N 3.1Å; L345-S349 PolarHBondContact O-OG 3.01Å; L345-I437 HydrophobicContact CB-CG2 3.86Å; L345-I437 HydrophobicContact CD2-CG2 4.04Å; L345-I437 HydrophobicContact CG-CG2 4.48Å; L345-I437 WeakPolarHBondContact O-CG2 3.5Å; L345-I438 HydrophobicContact CD1-CD1 3.93Å; L345-L440 HydrophobicContact CD1-CD2 3.89Å; L345-L440 HydrophobicContact CD2-CD2 3.59Å; L345-L440 HydrophobicContact CG-CD2 4.36Å; L345-Y511 HydrophobicContact CD1-CD2 3.8Å; L345-Y511 HydrophobicContact CD1-CE2 3.6Å
346	V	96	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.7	-35.3	173.9	-177.7	0	0	0	0	110.5	L342 D344 S349 W350 M473 L498 M501 L502 I505	L342-V346 HydrophobicContact CD1-CG2 3.96Å; L342-V346 HydrophobicContact CG-CG2 4.22Å; L342-V346 WeakPolarHBondContact O-CG2 3.26Å; L342-V346 PolarHBondContact O-N 3.25Å; D344-V346 PolarHBondContact O-N 3.35Å; V346-S349 WeakPolarHBondContact O-CB 3.44Å; V346-S349 PolarHBondContact O-N 2.81Å; V346-W350 WeakPolarHBondContact O-CB 3.43Å; V346-W350 PolarHBondContact O-N 2.96Å; V346-M473 HydrophobicContact CG2-SD 4.45Å; V346-L498 HydrophobicContact CG1-CD2 4.33Å; V346-M501 HydrophobicContact CG1-CB 3.86Å; V346-M501 HydrophobicContact CG2-CE 4.14Å; V346-L502 HydrophobicContact CB-CD2 4.01Å; V346-L502 HydrophobicContact CB-CG 4.48Å; V346-L502 HydrophobicContact CG1-CD2 3.87Å; V346-L502 HydrophobicContact CG1-CG 3.78Å; V346-I505 HydrophobicContact CB-CD1 3.9Å; V346-I505 HydrophobicContact CG1-CD1 4.2Å; V346-I505 HydrophobicContact CG2-CD1 3.76Å
347	S	96.8	Very high	94.8	Very high	34 Å²	34	25.8 Å²	25.8	24%	0.238	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-44.1	174.3	176.2	0	0	0	0	111.4	K343 D344 L345 S349 W350 Q351	K343-S347 WeakPolarHBondContact O-CB 3.2Å; K343-S347 PolarHBondContact O-N 2.65Å; D344-S347 WeakPolarHBondContact O-CB 3.43Å; D344-S347 PolarHBondContact O-N 2.92Å; D344-S347 VanDerWaalsContact O-N 3.15Å; L345-S347 VanDerWaalsContact C-N 3.34Å; S347-S349 PolarHBondContact O-N 3.04Å; S347-W350 PolarHBondContact O-N 2.78Å; S347-Q351 WeakPolarHBondContact O-CB 3.37Å; S347-Q351 VanDerWaalsContact O-CG 3.28Å; S347-Q351 WeakPolarHBondContact O-CG 3.5Å; S347-Q351 PolarHBondContact O-N 2.77Å; S347-Q351 PolarHBondContact OG-NE2 3.18Å
348	F	98.4	Very high	95.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-48.8	176.3	-58.7	-14.3	0	0	0	110.8	L304 Y307 L308 L340 D344 L345 W350 Q351 I352 K380 I382	L304-F348 HydrophobicContact CD1-CD2 3.97Å; L304-F348 HydrophobicContact CD1-CE2 4.31Å; Y307-F348 HydrophobicContact CE1-CE2 4.12Å; Y307-F348 HydrophobicContact CE1-CZ 4.1Å; L308-F348 HydrophobicContact CD2-CD2 4.46Å; L308-F348 HydrophobicContact CD2-CE2 4.35Å; L340-F348 HydrophobicContact CD1-CE2 4.34Å; L340-F348 HydrophobicContact CD2-CE2 4.22Å; L340-F348 HydrophobicContact CD2-CZ 4.03Å; D344-F348 HydrophobicContact CB-CE1 4.34Å; D344-F348 HydrophobicContact CB-CE2 4.46Å; D344-F348 HydrophobicContact CB-CZ 4.04Å; D344-F348 WeakPolarHBondContact O-CD1 3.2Å; D344-F348 WeakPolarHBondContact O-CG 3.35Å; D344-F348 PolarHBondContact O-N 3.2Å; L345-F348 HydrophobicContact CD2-CD2 4.31Å; L345-F348 HydrophobicContact CD2-CE2 4.33Å; L345-F348 PolarHBondContact O-N 3.29Å; F348-W350 VanDerWaalsContact C-N 3.32Å; F348-W350 PolarHBondContact O-N 3.35Å; F348-Q351 PolarHBondContact O-N 3.25Å; F348-I352 WeakPolarHBondContact O-CD1 2.99Å; F348-I352 WeakPolarHBondContact O-CG1 3.43Å; F348-I352 PolarHBondContact O-N 2.83Å; F348-K380 HydrophobicContact CE1-CB 3.76Å; F348-K380 HydrophobicContact CE1-CD 4.27Å; F348-K380 HydrophobicContact CE1-CG 4.5Å; F348-K380 HydrophobicContact CZ-CB 4.23Å; F348-K380 HydrophobicContact CZ-CD 4.19Å; F348-I382 HydrophobicContact CB-CD1 4.23Å; F348-I382 HydrophobicContact CB-CG1 4.07Å; F348-I382 HydrophobicContact CD1-CD1 3.81Å; F348-I382 HydrophobicContact CD1-CG1 3.84Å; F348-I382 HydrophobicContact CE1-CD1 4.39Å; F348-I382 HydrophobicContact CG-CD1 3.97Å; F348-I382 HydrophobicContact CG-CG1 4.15Å
349	S	98.6	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.5	-47.3	177.4	-57.3	0	0	0	0	111.6	L345 V346 S347 I352 S353 L434 M473	L345-S349 PolarHBondContact O-N 3.3Å; L345-S349 VanDerWaalsContact O-N 3.1Å; L345-S349 PolarHBondContact O-OG 3.01Å; V346-S349 WeakPolarHBondContact O-CB 3.44Å; V346-S349 PolarHBondContact O-N 2.81Å; S347-S349 PolarHBondContact O-N 3.04Å; S349-I352 PolarHBondContact O-N 2.85Å; S349-S353 PolarHBondContact O-N 2.93Å; S349-L434 VanDerWaalsContact CB-CD2 3.47Å; S349-L434 WeakPolarHBondContact OG-CD2 3.26Å; S349-M473 WeakPolarHBondContact OG-CE 3.44Å
350	W	98.5	Very high	95.8	Very high	70 Å²	70	19.4 Å²	19.4	27%	0.265	10%	0.1	S	C	.	.	H	α-helix	trans	-62.9	-49.5	178.2	178.7	79.8	0	0	0	111.5	V346 S347 F348 I352 S353 V354 R495 L498 L502	V346-W350 WeakPolarHBondContact O-CB 3.43Å; V346-W350 PolarHBondContact O-N 2.96Å; S347-W350 PolarHBondContact O-N 2.78Å; F348-W350 VanDerWaalsContact C-N 3.32Å; F348-W350 PolarHBondContact O-N 3.35Å; W350-I352 VanDerWaalsContact C-N 3.29Å; W350-I352 PolarHBondContact O-N 2.83Å; W350-S353 WeakPolarHBondContact O-CB 3.4Å; W350-S353 PolarHBondContact O-N 3.24Å; W350-S353 VanDerWaalsContact O-N 3.07Å; W350-S353 PolarHBondContact O-OG 2.8Å; W350-V354 HydrophobicContact CD2-CG2 4.21Å; W350-V354 HydrophobicContact CE3-CG2 4.39Å; W350-V354 HydrophobicContact CH2-CG2 4.24Å; W350-V354 HydrophobicContact CZ2-CG2 4.05Å; W350-V354 HydrophobicContact CZ3-CG2 4.41Å; W350-V354 VanDerWaalsContact O-CG2 3.3Å; W350-V354 WeakPolarHBondContact O-CG2 3.47Å; W350-V354 PolarHBondContact O-N 3.36Å; W350-V354 VanDerWaalsContact O-N 3.11Å; W350-R495 VanDerWaalsContact CD1-O 3.27Å; W350-R495 PolarHBondContact NE1-O 2.82Å; W350-L498 HydrophobicContact CB-CB 4.04Å; W350-L498 HydrophobicContact CG-CB 4.47Å; W350-L502 HydrophobicContact CB-CD1 3.7Å; W350-L502 HydrophobicContact CD2-CD1 4.12Å; W350-L502 HydrophobicContact CE3-CD1 4.47Å; W350-L502 HydrophobicContact CG-CD1 3.77Å
351	Q	98.6	Very high	95.9	Very high	14 Å²	14	25.1 Å²	25.1	7%	0.065	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-41.5	179	-71.7	-176.4	71.3	0	0	112.2	K278 S347 F348 V354 G355 K380 I382	K278-Q351 HydrophobicContact CD-CB 4.12Å; K278-Q351 HydrophobicContact CD-CG 4.42Å; K278-Q351 WeakPolarHBondContact CG-O 3.46Å; S347-Q351 WeakPolarHBondContact O-CB 3.37Å; S347-Q351 VanDerWaalsContact O-CG 3.28Å; S347-Q351 WeakPolarHBondContact O-CG 3.5Å; S347-Q351 PolarHBondContact O-N 2.77Å; S347-Q351 PolarHBondContact OG-NE2 3.18Å; F348-Q351 PolarHBondContact O-N 3.25Å; Q351-V354 WeakPolarHBondContact O-CB 3.46Å; Q351-V354 PolarHBondContact O-N 2.77Å; Q351-G355 PolarHBondContact O-N 2.83Å; Q351-K380 PolarHBondContact NE2-O 3Å; Q351-I382 HydrophobicContact CB-CB 3.9Å; Q351-I382 HydrophobicContact CB-CG1 4.21Å
352	I	98.8	Very high	96	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-42.2	176.5	-62.7	158.1	0	0	0	110.4	L304 F348 S349 W350 V354 G355 L356 V374 I382 I384 F430 L433 I437	L304-I352 HydrophobicContact CD2-CD1 3.99Å; F348-I352 WeakPolarHBondContact O-CD1 2.99Å; F348-I352 WeakPolarHBondContact O-CG1 3.43Å; F348-I352 PolarHBondContact O-N 2.83Å; S349-I352 PolarHBondContact O-N 2.85Å; W350-I352 VanDerWaalsContact C-N 3.29Å; W350-I352 PolarHBondContact O-N 2.83Å; I352-V354 VanDerWaalsContact C-N 3.26Å; I352-V354 PolarHBondContact O-N 3.3Å; I352-G355 PolarHBondContact O-N 3.28Å; I352-L356 HydrophobicContact CG2-CD1 3.93Å; I352-L356 HydrophobicContact CG2-CG 4.28Å; I352-L356 PolarHBondContact O-N 2.76Å; I352-V374 HydrophobicContact CD1-CG1 4.07Å; I352-V374 HydrophobicContact CD1-CG2 4.31Å; I352-V374 HydrophobicContact CG1-CG1 4.11Å; I352-V374 HydrophobicContact CG1-CG2 4.46Å; I352-I382 HydrophobicContact CD1-CG2 4.06Å; I352-I382 HydrophobicContact CG1-CB 4.44Å; I352-I382 HydrophobicContact CG1-CG2 3.4Å; I352-I384 HydrophobicContact CG2-CD1 4.1Å; I352-I384 HydrophobicContact CG2-CG1 4.27Å; I352-F430 HydrophobicContact CB-CE2 4.03Å; I352-F430 HydrophobicContact CG2-CD2 3.98Å; I352-F430 HydrophobicContact CG2-CE2 3.71Å; I352-L433 HydrophobicContact CD1-CD2 4.11Å; I352-L433 HydrophobicContact CG2-CD2 3.87Å; I352-I437 HydrophobicContact CD1-CD1 3.69Å
353	S	98.6	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-36.4	177.5	76.4	0	0	0	0	112.5	S349 W350 L356 E357 R495	S349-S353 PolarHBondContact O-N 2.93Å; W350-S353 WeakPolarHBondContact O-CB 3.4Å; W350-S353 PolarHBondContact O-N 3.24Å; W350-S353 VanDerWaalsContact O-N 3.07Å; W350-S353 PolarHBondContact O-OG 2.8Å; S353-L356 PolarHBondContact O-N 3.29Å; S353-E357 VanDerWaalsContact O-CB 3.3Å; S353-E357 WeakPolarHBondContact O-CB 3.34Å; S353-E357 PolarHBondContact O-N 2.95Å; S353-R495 WeakPolarHBondContact OG-CA 3.04Å; S353-R495 WeakPolarHBondContact OG-CB 3.34Å
354	V	98.5	Very high	95.9	Very high	28 Å²	28	22.9 Å²	22.9	17%	0.17	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-43.6	173.6	-171.8	0	0	0	0	111.2	K278 W350 Q351 I352 Y358 R495	K278-V354 HydrophobicContact CG-CB 4.13Å; K278-V354 HydrophobicContact CG-CG1 4.34Å; W350-V354 HydrophobicContact CD2-CG2 4.21Å; W350-V354 HydrophobicContact CE3-CG2 4.39Å; W350-V354 HydrophobicContact CH2-CG2 4.24Å; W350-V354 HydrophobicContact CZ2-CG2 4.05Å; W350-V354 HydrophobicContact CZ3-CG2 4.41Å; W350-V354 VanDerWaalsContact O-CG2 3.3Å; W350-V354 WeakPolarHBondContact O-CG2 3.47Å; W350-V354 PolarHBondContact O-N 3.36Å; W350-V354 VanDerWaalsContact O-N 3.11Å; Q351-V354 WeakPolarHBondContact O-CB 3.46Å; Q351-V354 PolarHBondContact O-N 2.77Å; I352-V354 VanDerWaalsContact C-N 3.26Å; I352-V354 PolarHBondContact O-N 3.3Å; V354-Y358 PolarHBondContact O-N 3.2Å; V354-Y358 VanDerWaalsContact O-N 3.17Å; V354-R495 HydrophobicContact CG2-CG 4.16Å
355	G	97.9	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.9	-42.1	178.3	0	0	0	0	0	113.2	Q351 I352 Y358 L359	Q351-G355 PolarHBondContact O-N 2.83Å; I352-G355 PolarHBondContact O-N 3.28Å; G355-Y358 WeakPolarHBondContact O-CB 3.5Å; G355-Y358 PolarHBondContact O-N 3.12Å; G355-L359 PolarHBondContact O-N 3Å; G355-L359 VanDerWaalsContact O-N 3.15Å
356	L	98.3	Very high	95.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-72.1	-33.5	178.5	-67.3	175.2	0	0	0	112.6	I352 S353 Y358 L359 S360 V369 I384 F430 F491	I352-L356 HydrophobicContact CG2-CD1 3.93Å; I352-L356 HydrophobicContact CG2-CG 4.28Å; I352-L356 PolarHBondContact O-N 2.76Å; S353-L356 PolarHBondContact O-N 3.29Å; L356-Y358 VanDerWaalsContact C-N 3.32Å; L356-Y358 PolarHBondContact O-N 3.19Å; L356-L359 HydrophobicContact CD2-CD1 4.18Å; L356-L359 PolarHBondContact O-N 3Å; L356-S360 VanDerWaalsContact O-CB 3.31Å; L356-S360 WeakPolarHBondContact O-CB 3.46Å; L356-S360 PolarHBondContact O-N 2.76Å; L356-V369 HydrophobicContact CD1-CG1 3.92Å; L356-V369 HydrophobicContact CD1-CG2 4.33Å; L356-V369 HydrophobicContact CD2-CG2 3.79Å; L356-I384 HydrophobicContact CD2-CD1 3.8Å; L356-I384 HydrophobicContact CG-CD1 3.69Å; L356-F430 HydrophobicContact CD1-CB 4.09Å; L356-F430 HydrophobicContact CD1-CD2 3.44Å; L356-F430 VanDerWaalsContact CD1-CD2 3.44Å; L356-F430 HydrophobicContact CD1-CE2 4.22Å; L356-F430 HydrophobicContact CD1-CG 4.08Å; L356-F491 HydrophobicContact CB-CD1 3.69Å; L356-F491 HydrophobicContact CB-CD2 3.89Å; L356-F491 HydrophobicContact CB-CE1 3.56Å; L356-F491 HydrophobicContact CB-CE2 3.76Å; L356-F491 HydrophobicContact CB-CG 3.87Å; L356-F491 HydrophobicContact CB-CZ 3.6Å; L356-F491 HydrophobicContact CD1-CD1 4.26Å; L356-F491 HydrophobicContact CD1-CE1 3.44Å; L356-F491 VanDerWaalsContact CD1-CE1 3.44Å; L356-F491 HydrophobicContact CD1-CZ 3.62Å; L356-F491 HydrophobicContact CG-CE1 4.12Å; L356-F491 HydrophobicContact CG-CZ 4.11Å
357	E	98	Very high	95.6	Very high	21 Å²	21	23.4 Å²	23.4	10%	0.098	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-47.2	169.6	-177	-176.3	-137.7	0	0	110.7	S353 L359 S360 Q361 F491 T492 R495	S353-E357 VanDerWaalsContact O-CB 3.3Å; S353-E357 WeakPolarHBondContact O-CB 3.34Å; S353-E357 PolarHBondContact O-N 2.95Å; E357-L359 PolarHBondContact O-N 2.77Å; E357-S360 WeakPolarHBondContact O-CB 3.31Å; E357-S360 PolarHBondContact O-N 3.43Å; E357-Q361 HydrophobicContact CG-CG 4.44Å; E357-Q361 WeakPolarHBondContact O-CB 3.38Å; E357-Q361 VanDerWaalsContact O-CG 3.31Å; E357-Q361 WeakPolarHBondContact O-CG 3.47Å; E357-Q361 PolarHBondContact O-N 3.01Å; E357-F491 HydrophobicContact CB-CB 3.76Å; E357-F491 HydrophobicContact CG-CB 4.41Å; E357-T492 VanDerWaalsContact OE1-CA 3.26Å; E357-T492 WeakPolarHBondContact OE1-CA 3.29Å; E357-T492 VanDerWaalsContact OE1-CB 3.23Å; E357-T492 WeakPolarHBondContact OE1-CB 3.29Å; E357-T492 WeakPolarHBondContact OE1-CG2 3.47Å; E357-T492 PolarHBondContact OE1-OG1 3.31Å; E357-R495 IonicContact OE1-CZ 3.76Å; E357-R495 IonicContact OE1-NE 2.86Å; E357-R495 PolarHBondContact OE1-NE 2.93Å; E357-R495 IonicContact OE1-NH2 2.77Å; E357-R495 WeakPolarHBondContact OE2-CD 3.47Å; E357-R495 IonicContact OE2-CZ 3.46Å; E357-R495 IonicContact OE2-NE 3.41Å; E357-R495 PolarHBondContact OE2-NE 3.17Å; E357-R495 IonicContact OE2-NH2 3.31Å
358	Y	96.5	Very high	95.3	Very high	33 Å²	33	22.5 Å²	22.5	13%	0.129	11%	0.107	C	C	.	.	H	α-helix	trans	-58.6	-47.3	176.8	176.7	-100.4	0	0	0	112.5	L273 H276 L279 V354 G355 L356 S360 Q361 K362	L273-Y358 PolarHBondContact O-OH 3.06Å; H276-Y358 HydrophobicContact CB-CD1 4.1Å; H276-Y358 HydrophobicContact CB-CE1 4.06Å; H276-Y358 AromaticContact CD2-CD1 3.95Å; H276-Y358 AromaticContact CD2-CD2 3.56Å; H276-Y358 AromaticContact CD2-CG 3.5Å; H276-Y358 AromaticContact CG-CD1 3.93Å; H276-Y358 AromaticContact CG-CG 3.93Å; H276-Y358 AromaticContact NE2-CG 3.83Å; L279-Y358 HydrophobicContact CD1-CD1 3.71Å; L279-Y358 HydrophobicContact CD1-CE1 3.9Å; L279-Y358 HydrophobicContact CG-CD1 4.48Å; V354-Y358 PolarHBondContact O-N 3.2Å; V354-Y358 VanDerWaalsContact O-N 3.17Å; G355-Y358 WeakPolarHBondContact O-CB 3.5Å; G355-Y358 PolarHBondContact O-N 3.12Å; L356-Y358 VanDerWaalsContact C-N 3.32Å; L356-Y358 PolarHBondContact O-N 3.19Å; Y358-S360 PolarHBondContact O-N 2.91Å; Y358-Q361 PolarHBondContact O-N 3.08Å; Y358-K362 HydrophobicContact CE1-CG 4.18Å; Y358-K362 HydrophobicContact CE2-CG 4.12Å; Y358-K362 WeakPolarHBondContact O-CG 3.39Å; Y358-K362 PolarHBondContact O-N 2.64Å; Y358-K362 WeakPolarHBondContact OH-CE 3.01Å
359	L	94.8	Very high	95.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-60	-46	176.7	-68.1	179	0	0	0	111.7	L273 L279 G355 L356 E357 Q361 K362 G363 Y364 H366 F387	L273-L359 HydrophobicContact CD1-CD2 3.89Å; L273-L359 HydrophobicContact CD2-CD2 3.56Å; L273-L359 HydrophobicContact CG-CD2 4.38Å; L279-L359 HydrophobicContact CD1-CD2 3.79Å; L279-L359 HydrophobicContact CD1-CG 4.37Å; L279-L359 HydrophobicContact CD2-CD1 4.28Å; L279-L359 HydrophobicContact CD2-CD2 4.39Å; L279-L359 HydrophobicContact CD2-CG 4.19Å; G355-L359 PolarHBondContact O-N 3Å; G355-L359 VanDerWaalsContact O-N 3.15Å; L356-L359 HydrophobicContact CD2-CD1 4.18Å; L356-L359 PolarHBondContact O-N 3Å; E357-L359 PolarHBondContact O-N 2.77Å; L359-Q361 PolarHBondContact O-N 3.27Å; L359-K362 CarbonylContact O-C 3.57Å; L359-K362 PolarHBondContact O-N 2.92Å; L359-G363 PolarHBondContact O-N 3.04Å; L359-G363 VanDerWaalsContact O-N 3.12Å; L359-Y364 PolarHBondContact O-N 3.45Å; L359-H366 HydrophobicContact CD1-CB 4.38Å; L359-F387 HydrophobicContact CD1-CE1 4.05Å; L359-F387 HydrophobicContact CD2-CE1 4.15Å
360	S	93.5	Very high	95.2	Very high	34 Å²	34	22.8 Å²	22.8	24%	0.238	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-46.3	178.6	178	0	0	0	0	111.9	L356 E357 Y358 K362 G363 T423	L356-S360 VanDerWaalsContact O-CB 3.31Å; L356-S360 WeakPolarHBondContact O-CB 3.46Å; L356-S360 PolarHBondContact O-N 2.76Å; E357-S360 WeakPolarHBondContact O-CB 3.31Å; E357-S360 PolarHBondContact O-N 3.43Å; Y358-S360 PolarHBondContact O-N 2.91Å; S360-K362 VanDerWaalsContact C-N 3.29Å; S360-K362 PolarHBondContact O-N 3.3Å; S360-G363 WeakPolarHBondContact O-CA 3.34Å; S360-G363 PolarHBondContact O-N 2.72Å; S360-T423 WeakPolarHBondContact OG-CG2 3.3Å
361	Q	92.9	Very high	95.2	Very high	120 Å²	120	19.4 Å²	19.4	56%	0.561	10%	0.096	S	C	*	.	H	α-helix	trans	-64.3	-32.7	177.4	-72	175.9	4	0	0	112.7	E357 Y358 L359 G363	E357-Q361 HydrophobicContact CG-CG 4.44Å; E357-Q361 WeakPolarHBondContact O-CB 3.38Å; E357-Q361 VanDerWaalsContact O-CG 3.31Å; E357-Q361 WeakPolarHBondContact O-CG 3.47Å; E357-Q361 PolarHBondContact O-N 3.01Å; Y358-Q361 PolarHBondContact O-N 3.08Å; L359-Q361 PolarHBondContact O-N 3.27Å; Q361-G363 PolarHBondContact O-N 3.28Å
362	K	90.4	Very high	95	Very high	60 Å²	60	22.6 Å²	22.6	26%	0.261	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.7	172.4	-67	-65.9	-179.4	-170.2	0	113.3	N116 Y358 L359 S360 Y364	N116-K362 PolarHBondContact OD1-NZ 2.93Å; Y358-K362 HydrophobicContact CE1-CG 4.18Å; Y358-K362 HydrophobicContact CE2-CG 4.12Å; Y358-K362 WeakPolarHBondContact O-CG 3.39Å; Y358-K362 PolarHBondContact O-N 2.64Å; Y358-K362 WeakPolarHBondContact OH-CE 3.01Å; L359-K362 CarbonylContact O-C 3.57Å; L359-K362 PolarHBondContact O-N 2.92Å; S360-K362 VanDerWaalsContact C-N 3.29Å; S360-K362 PolarHBondContact O-N 3.3Å; K362-Y364 HydrophobicContact CB-CD2 3.61Å; K362-Y364 HydrophobicContact CB-CE2 3.95Å
363	G	89.1	Confident	94.9	Very high	13 Å²	13	23.2 Å²	23.2	13%	0.134	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	22.7	178.3	0	0	0	0	0	114	L359 S360 Q361 Y392 V393	L359-G363 PolarHBondContact O-N 3.04Å; L359-G363 VanDerWaalsContact O-N 3.12Å; S360-G363 WeakPolarHBondContact O-CA 3.34Å; S360-G363 PolarHBondContact O-N 2.72Å; Q361-G363 PolarHBondContact O-N 3.28Å; G363-Y392 WeakPolarHBondContact O-CA 3.46Å; G363-Y392 WeakPolarHBondContact O-CD2 3.41Å; G363-Y392 WeakPolarHBondContact O-CE2 3.43Å; G363-V393 WeakPolarHBondContact O-CG2 3.22Å; G363-V393 PolarHBondContact O-N 3Å
364	Y	91.2	Very high	94.9	Very high	23 Å²	23	23.4 Å²	23.4	9%	0.09	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.7	176.4	-67.1	-76.8	0	0	0	111.4	L269 R272 L273 L359 K362 R391 Y392	L269-Y364 HydrophobicContact CD1-CD1 3.41Å; L269-Y364 VanDerWaalsContact CD1-CD1 3.41Å; L269-Y364 HydrophobicContact CD1-CE1 3.14Å; L269-Y364 HydrophobicContact CD1-CE2 4.44Å; L269-Y364 HydrophobicContact CD1-CG 4.19Å; R272-Y364 WeakPolarHBondContact CB-OH 3.5Å; L273-Y364 HydrophobicContact CD2-CD2 3.39Å; L273-Y364 HydrophobicContact CD2-CE2 3.6Å; L273-Y364 HydrophobicContact CD2-CG 4.07Å; L273-Y364 HydrophobicContact CG-CE2 4.47Å; L359-Y364 PolarHBondContact O-N 3.45Å; K362-Y364 HydrophobicContact CB-CD2 3.61Å; K362-Y364 HydrophobicContact CB-CE2 3.95Å; Y364-R391 WeakPolarHBondContact CA-O 3.28Å; Y364-Y392 HydrophobicContact CD1-CD2 4.25Å; Y364-Y392 HydrophobicContact CE1-CD2 4.08Å
365	V	92.1	Very high	94.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.8	172.9	-170.8	0	0	0	0	107.5	R367 C390 R391 V393 F421 T422 T423 D426	V365-R367 HydrophobicContact CB-CG 4.21Å; V365-R367 HydrophobicContact CG1-CG 3.71Å; V365-C390 CarbonylContact O-C 3.56Å; V365-C390 VanDerWaalsContact O-CA 3.26Å; V365-C390 WeakPolarHBondContact O-CA 3.44Å; V365-C390 PolarHBondContact O-SG 3.07Å; V365-R391 PolarHBondContact N-O 3.37Å; V365-R391 PolarHBondContact O-N 3.4Å; V365-V393 HydrophobicContact CG2-CB 4.35Å; V365-V393 HydrophobicContact CG2-CG2 3.36Å; V365-F421 HydrophobicContact CG1-CB 4.33Å; V365-T422 VanDerWaalsContact CG1-O 3.32Å; V365-T422 WeakPolarHBondContact CG1-O 3.41Å; V365-T423 HydrophobicContact CG2-CG2 4.5Å; V365-D426 VanDerWaalsContact CA-OD2 3.29Å; V365-D426 WeakPolarHBondContact CA-OD2 3.32Å; V365-D426 WeakPolarHBondContact CG1-OD1 3.47Å; V365-D426 WeakPolarHBondContact CG1-OD2 3.43Å
366	H	93.2	Very high	94.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.115	C	C	.	.			trans	-69.8	-42.6	-178.6	-165.6	-79	0	0	0	112.1	L359 D368 V369 G385 D386 F387 D426	L359-H366 HydrophobicContact CD1-CB 4.38Å; H366-D368 PolarHBondContact CE1-O 2.85Å; H366-D368 VanDerWaalsContact ND1-C 3.28Å; H366-D368 PolarHBondContact ND1-N 3.07Å; H366-D368 PolarHBondContact ND1-O 3.46Å; H366-D368 PolarHBondContact O-N 2.57Å; H366-V369 HydrophobicContact CB-CG2 3.69Å; H366-G385 PolarHBondContact CE1-O 3.3Å; H366-G385 PolarHBondContact NE2-O 3.28Å; H366-D386 PolarHBondContact CE1-O 3.06Å; H366-F387 AromaticContact CD2-CD1 3.96Å; H366-F387 AromaticContact CD2-CE1 3.95Å; H366-D426 PolarHBondContact N-OD2 2.94Å
367	R	92.3	Very high	94.7	Very high	37 Å²	37	25 Å²	25	14%	0.14	12%	0.119	C	C	.	.	S	Bend	trans	67.5	-12.6	179.6	-53.3	-174.3	176.8	-175	-7	116.8	V365 L389 F421 D426	V365-R367 HydrophobicContact CB-CG 4.21Å; V365-R367 HydrophobicContact CG1-CG 3.71Å; R367-L389 HydrophobicContact CB-CB 4.43Å; R367-L389 WeakPolarHBondContact CD-O 3.06Å; R367-F421 HydrophobicContact CB-CD1 4.11Å; R367-F421 HydrophobicContact CB-CE1 4.37Å; R367-F421 HydrophobicContact CG-CB 4.11Å; R367-F421 HydrophobicContact CG-CD1 3.78Å; R367-F421 HydrophobicContact CG-CE1 4.47Å; R367-F421 HydrophobicContact CG-CG 4.05Å; R367-D426 PolarHBondContact N-OD1 2.68Å
368	D	92.2	Very high	94.4	Very high	14 Å²	14	30.8 Å²	30.8	8%	0.075	14%	0.14	C	C	.	.			trans	-135.6	52.8	174.4	-162.6	13.7	0	0	0	112.7	H366 A370 R372 N373 L389 P407	H366-D368 PolarHBondContact CE1-O 2.85Å; H366-D368 VanDerWaalsContact ND1-C 3.28Å; H366-D368 PolarHBondContact ND1-N 3.07Å; H366-D368 PolarHBondContact ND1-O 3.46Å; H366-D368 PolarHBondContact O-N 2.57Å; D368-A370 PolarHBondContact O-N 3.37Å; D368-R372 IonicContact OD1-CZ 2.91Å; D368-R372 IonicContact OD1-NH2 2.74Å; D368-R372 PolarHBondContact OD1-NH2 2.93Å; D368-R372 IonicContact OD2-CZ 3.58Å; D368-R372 IonicContact OD2-NH2 3.83Å; D368-R372 PolarHBondContact OD2-NH2 3.45Å; D368-N373 PolarHBondContact O-ND2 3.31Å; D368-N373 PolarHBondContact OD2-ND2 2.73Å; D368-L389 HydrophobicContact CB-CD1 3.89Å; D368-P407 WeakPolarHBondContact OD1-CB 3.21Å; D368-P407 VanDerWaalsContact OD1-CG 3.3Å; D368-P407 WeakPolarHBondContact OD1-CG 3.37Å
369	V	97.3	Very high	94.2	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.036	17%	0.168	C	C	.	.			trans	-74.4	110.9	175	179.9	0	0	0	0	108.7	L356 H366 W410 D426 F430 L433	L356-V369 HydrophobicContact CD1-CG1 3.92Å; L356-V369 HydrophobicContact CD1-CG2 4.33Å; L356-V369 HydrophobicContact CD2-CG2 3.79Å; H366-V369 HydrophobicContact CB-CG2 3.69Å; V369-W410 VanDerWaalsContact O-CD1 3.31Å; V369-D426 HydrophobicContact CG2-CB 4.3Å; V369-F430 HydrophobicContact CG1-CB 4.5Å; V369-L433 HydrophobicContact CG1-CB 4.43Å; V369-L433 HydrophobicContact CG1-CD2 3.63Å
370	A	97	Very high	94.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-159.9	161.5	-179.9	0	0	0	0	0	110.7	D368 R372 N373 W410	D368-A370 PolarHBondContact O-N 3.37Å; A370-R372 VanDerWaalsContact C-N 3.25Å; A370-R372 HydrophobicContact CB-CG 4.21Å; A370-R372 VanDerWaalsContact CB-NH1 3.27Å; A370-R372 PolarHBondContact O-N 3.05Å; A370-N373 PolarHBondContact O-N 3.41Å; A370-W410 HydrophobicContact CB-CD2 4.29Å; A370-W410 HydrophobicContact CB-CG 4.18Å
371	A	97.9	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-62.4	-33	-174.4	0	0	0	0	0	112.7	L304 L305 N373 V374 L433 E436	L304-A371 WeakPolarHBondContact CB-O 3.41Å; L304-A371 PolarHBondContact N-O 3.14Å; L305-A371 HydrophobicContact CB-CB 3.91Å; L305-A371 HydrophobicContact CD1-CB 4.32Å; L305-A371 PolarHBondContact N-O 2.89Å; A371-N373 PolarHBondContact O-N 3Å; A371-V374 PolarHBondContact O-N 3.41Å; A371-L433 HydrophobicContact CB-CD1 3.75Å; A371-E436 HydrophobicContact CB-CB 4.04Å; A371-E436 HydrophobicContact CB-CG 4.47Å; A371-E436 PolarHBondContact N-OE2 3.36Å
372	R	95.5	Very high	94.6	Very high	81 Å²	81	35.1 Å²	35.1	31%	0.306	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-64.7	-19.9	175.9	67.4	179	-173.4	-76.3	-8.3	114.5	L305 D368 A370	L305-R372 HydrophobicContact CB-CB 4.35Å; L305-R372 HydrophobicContact CD2-CB 4.15Å; D368-R372 IonicContact OD1-CZ 2.91Å; D368-R372 IonicContact OD1-NH2 2.74Å; D368-R372 PolarHBondContact OD1-NH2 2.93Å; D368-R372 IonicContact OD2-CZ 3.58Å; D368-R372 IonicContact OD2-NH2 3.83Å; D368-R372 PolarHBondContact OD2-NH2 3.45Å; A370-R372 VanDerWaalsContact C-N 3.25Å; A370-R372 HydrophobicContact CB-CG 4.21Å; A370-R372 VanDerWaalsContact CB-NH1 3.27Å; A370-R372 PolarHBondContact O-N 3.05Å
373	N	95.7	Very high	95	Very high	14 Å²	14	32.9 Å²	32.9	8%	0.075	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-104.6	8.4	-179.7	-66.8	-15.8	0	0	0	112.2	D368 A370 A371 G385 D386	D368-N373 PolarHBondContact O-ND2 3.31Å; D368-N373 PolarHBondContact OD2-ND2 2.73Å; A370-N373 PolarHBondContact O-N 3.41Å; A371-N373 PolarHBondContact O-N 3Å; N373-G385 CarbonylContact O-C 3.42Å; N373-G385 WeakPolarHBondContact O-CA 3.36Å; N373-G385 PolarHBondContact O-N 3.23Å; N373-D386 HydrophobicContact CB-CB 4.36Å
374	V	98.1	Very high	95.4	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.4	172.1	177.4	0	0	0	0	107.3	D303 L304 I352 A371 I382 L433	D303-V374 CarbonylContact C-O 3.49Å; D303-V374 VanDerWaalsContact CA-O 3.28Å; D303-V374 WeakPolarHBondContact CA-O 3.31Å; L304-V374 HydrophobicContact CB-CB 3.94Å; L304-V374 HydrophobicContact CB-CG1 4.02Å; L304-V374 WeakPolarHBondContact CB-O 3.32Å; L304-V374 HydrophobicContact CD2-CB 4.05Å; L304-V374 HydrophobicContact CD2-CG1 3.78Å; L304-V374 PolarHBondContact N-O 3.33Å; I352-V374 HydrophobicContact CD1-CG1 4.07Å; I352-V374 HydrophobicContact CD1-CG2 4.31Å; I352-V374 HydrophobicContact CG1-CG1 4.11Å; I352-V374 HydrophobicContact CG1-CG2 4.46Å; A371-V374 PolarHBondContact O-N 3.41Å; V374-I382 HydrophobicContact CG1-CG2 3.21Å; V374-L433 HydrophobicContact CG2-CD2 4.12Å
375	L	97.9	Very high	95.5	Very high	45 Å²	45	31.6 Å²	31.6	24%	0.236	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	149.5	177.4	-59.1	-175.8	0	0	0	111.2	V280 C299 G302 D303 K383	V280-L375 HydrophobicContact CG2-CB 4.48Å; V280-L375 HydrophobicContact CG2-CD1 3.64Å; V280-L375 HydrophobicContact CG2-CG 4.18Å; C299-L375 HydrophobicContact CB-CB 3.72Å; C299-L375 HydrophobicContact CB-CD1 4.03Å; C299-L375 HydrophobicContact CB-CG 4.47Å; G302-L375 CarbonylContact O-C 3.5Å; G302-L375 WeakPolarHBondContact O-CA 3.46Å; D303-L375 HydrophobicContact CB-CD2 4.01Å; L375-K383 PolarHBondContact N-O 3.22Å; L375-K383 PolarHBondContact O-N 3.03Å
376	V	97.8	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.5	174.2	-169.5	0	0	0	0	108.7	C299 D301 G302 L304 Y307 I382	C299-V376 CarbonylContact C-O 3.54Å; C299-V376 WeakPolarHBondContact CB-O 3.43Å; D301-V376 WeakPolarHBondContact CA-O 3.4Å; D301-V376 HydrophobicContact CB-CB 3.89Å; D301-V376 HydrophobicContact CB-CG1 3.99Å; D301-V376 WeakPolarHBondContact CB-O 3.3Å; D301-V376 PolarHBondContact N-O 3.11Å; G302-V376 PolarHBondContact O-N 3.04Å; L304-V376 HydrophobicContact CB-CG2 4.06Å; L304-V376 HydrophobicContact CD1-CG2 3.7Å; L304-V376 HydrophobicContact CG-CG2 4.5Å; Y307-V376 HydrophobicContact CD1-CG2 4.22Å; Y307-V376 HydrophobicContact CD2-CB 4Å; Y307-V376 HydrophobicContact CD2-CG1 3.99Å; Y307-V376 HydrophobicContact CD2-CG2 4.05Å; Y307-V376 HydrophobicContact CE2-CB 4.23Å; Y307-V376 HydrophobicContact CE2-CG1 3.69Å; Y307-V376 HydrophobicContact CG-CB 4.36Å; Y307-V376 HydrophobicContact CG-CG2 3.88Å; V376-I382 HydrophobicContact CG1-CD1 4.39Å; V376-I382 HydrophobicContact CG2-CD1 3.87Å
377	D	95.3	Very high	94.6	Very high	19 Å²	19	34.3 Å²	34.3	10%	0.102	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	173.9	173.1	-176.2	39.2	0	0	0	110.1	C299 K380 R381	C299-D377 HydrophobicContact CB-CB 4.22Å; D377-K380 PolarHBondContact O-N 3.18Å; D377-R381 HydrophobicContact CB-CB 4.26Å; D377-R381 PolarHBondContact N-O 3.4Å; D377-R381 PolarHBondContact O-N 3Å; D377-R381 VanDerWaalsContact O-N 3.14Å; D377-R381 IonicContact OD2-CZ 3.95Å; D377-R381 IonicContact OD2-NE 3.36Å; D377-R381 IonicContact OD2-NH2 3.91Å; D377-R381 PolarHBondContact OD2-NH2 3.5Å; D377-R381 VanDerWaalsContact OD2-NH2 3.09Å
378	R	92.4	Very high	93.8	Very high	142 Å²	142	32.9 Å²	32.9	54%	0.536	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-43.4	145.8	177.2	-56.5	-176.2	-171.3	-154.2	-1.1	112	T300 K380 R381	T300-R378 HydrophobicContact CG2-CG 3.71Å; T300-R378 VanDerWaalsContact OG1-CG 3.24Å; T300-R378 WeakPolarHBondContact OG1-CG 3.46Å; T300-R378 PolarHBondContact OG1-N 3.36Å; T300-R378 VanDerWaalsContact OG1-N 3.12Å; R378-K380 PolarHBondContact O-N 3.34Å; R378-R381 WeakPolarHBondContact O-CG 3.32Å; R378-R381 PolarHBondContact O-N 3.35Å; R378-R381 PolarHBondContact O-NH2 3.06Å
379	D	92	Very high	92.7	Very high	135 Å²	135	35.9 Å²	35.9	72%	0.722	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	61.7	30.6	-178.9	-39.3	-54.1	0	0	0	112.8	R381	D379-R381 PolarHBondContact O-N 3.3Å; D379-R381 IonicContact OD2-CZ 3.45Å; D379-R381 IonicContact OD2-NH1 2.73Å; D379-R381 PolarHBondContact OD2-NH1 3.24Å; D379-R381 IonicContact OD2-NH2 3.65Å
380	K	94.6	Very high	91.5	Very high	53 Å²	53	35.7 Å²	35.7	23%	0.23	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	55.7	35.4	-179	-48.8	179.9	177.1	171.5	0	113.2	D344 F348 Q351 D377 R378	D344-K380 IonicContact OD1-NZ 3.95Å; D344-K380 PolarHBondContact OD1-NZ 2.82Å; D344-K380 IonicContact OD2-NZ 2.96Å; D344-K380 PolarHBondContact OD2-NZ 3.28Å; F348-K380 HydrophobicContact CE1-CB 3.76Å; F348-K380 HydrophobicContact CE1-CD 4.27Å; F348-K380 HydrophobicContact CE1-CG 4.5Å; F348-K380 HydrophobicContact CZ-CB 4.23Å; F348-K380 HydrophobicContact CZ-CD 4.19Å; Q351-K380 PolarHBondContact NE2-O 3Å; D377-K380 PolarHBondContact O-N 3.18Å; R378-K380 PolarHBondContact O-N 3.34Å
381	R	96.7	Very high	90.4	Very high	90 Å²	90	37.4 Å²	37.4	34%	0.34	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.6	176.3	-75.1	-166.6	-66.5	-90.2	-4.7	110.5	D377 R378 D379	D377-R381 HydrophobicContact CB-CB 4.26Å; D377-R381 PolarHBondContact N-O 3.4Å; D377-R381 PolarHBondContact O-N 3Å; D377-R381 VanDerWaalsContact O-N 3.14Å; D377-R381 IonicContact OD2-CZ 3.95Å; D377-R381 IonicContact OD2-NE 3.36Å; D377-R381 IonicContact OD2-NH2 3.91Å; D377-R381 PolarHBondContact OD2-NH2 3.5Å; D377-R381 VanDerWaalsContact OD2-NH2 3.09Å; R378-R381 WeakPolarHBondContact O-CG 3.32Å; R378-R381 PolarHBondContact O-N 3.35Å; R378-R381 PolarHBondContact O-NH2 3.06Å; D379-R381 PolarHBondContact O-N 3.3Å; D379-R381 IonicContact OD2-CZ 3.45Å; D379-R381 IonicContact OD2-NH1 2.73Å; D379-R381 PolarHBondContact OD2-NH1 3.24Å; D379-R381 IonicContact OD2-NH2 3.65Å
382	I	98.2	Very high	88.4	Confident	1 Å²	1	41 Å²	41	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137	-178.1	-57.6	-59.4	0	0	0	112.2	K278 L304 F348 Q351 I352 V374 V376	K278-I382 WeakPolarHBondContact CD-O 3.41Å; L304-I382 HydrophobicContact CD1-CD1 4.26Å; F348-I382 HydrophobicContact CB-CD1 4.23Å; F348-I382 HydrophobicContact CB-CG1 4.07Å; F348-I382 HydrophobicContact CD1-CD1 3.81Å; F348-I382 HydrophobicContact CD1-CG1 3.84Å; F348-I382 HydrophobicContact CE1-CD1 4.39Å; F348-I382 HydrophobicContact CG-CD1 3.97Å; F348-I382 HydrophobicContact CG-CG1 4.15Å; Q351-I382 HydrophobicContact CB-CB 3.9Å; Q351-I382 HydrophobicContact CB-CG1 4.21Å; I352-I382 HydrophobicContact CD1-CG2 4.06Å; I352-I382 HydrophobicContact CG1-CB 4.44Å; I352-I382 HydrophobicContact CG1-CG2 3.4Å; V374-I382 HydrophobicContact CG1-CG2 3.21Å; V376-I382 HydrophobicContact CG1-CD1 4.39Å; V376-I382 HydrophobicContact CG2-CD1 3.87Å
383	K	97.9	Very high	86.4	Confident	13 Å²	13	39.4 Å²	39.4	6%	0.057	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.9	176.9	-70.4	171.9	172.9	-69.8	0	111.3	E277 V280 E297 L375	E277-K383 PolarHBondContact O-NZ 3.01Å; E277-K383 VanDerWaalsContact O-NZ 3.14Å; V280-K383 HydrophobicContact CG2-CB 3.84Å; E297-K383 VanDerWaalsContact CD-CE 3.42Å; E297-K383 HydrophobicContact CG-CD 4.4Å; E297-K383 WeakPolarHBondContact OE1-CD 3.27Å; E297-K383 WeakPolarHBondContact OE1-CE 3.23Å; E297-K383 IonicContact OE1-NZ 3.51Å; E297-K383 PolarHBondContact OE1-NZ 3.31Å; E297-K383 WeakPolarHBondContact OE2-CE 3.26Å; E297-K383 IonicContact OE2-NZ 2.68Å; E297-K383 PolarHBondContact OE2-NZ 3.2Å; L375-K383 PolarHBondContact N-O 3.22Å; L375-K383 PolarHBondContact O-N 3.03Å
384	I	97.7	Very high	84	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.5	175	-55.3	170.1	0	0	0	109.1	K278 L279 V280 I352 L356 F387	K278-I384 PolarHBondContact O-N 2.7Å; L279-I384 WeakPolarHBondContact CA-O 3.2Å; L279-I384 HydrophobicContact CD2-CB 3.82Å; L279-I384 HydrophobicContact CD2-CD1 4.02Å; L279-I384 HydrophobicContact CD2-CG1 4.34Å; V280-I384 PolarHBondContact N-O 3.21Å; I352-I384 HydrophobicContact CG2-CD1 4.1Å; I352-I384 HydrophobicContact CG2-CG1 4.27Å; L356-I384 HydrophobicContact CD2-CD1 3.8Å; L356-I384 HydrophobicContact CG-CD1 3.69Å; I384-F387 WeakPolarHBondContact O-CZ 3.3Å
385	G	93	Very high	81.8	Confident	4 Å²	4	46.9 Å²	46.9	4%	0.041	22%	0.22	C	C	.	.			trans	-122.5	-170.3	-179.8	0	0	0	0	0	113.2	H366 N373	H366-G385 PolarHBondContact CE1-O 3.3Å; H366-G385 PolarHBondContact NE2-O 3.28Å; N373-G385 CarbonylContact O-C 3.42Å; N373-G385 WeakPolarHBondContact O-CA 3.36Å; N373-G385 PolarHBondContact O-N 3.23Å
386	D	85.4	Confident	79.1	Confident	55 Å²	55	52.7 Å²	52.7	29%	0.294	25%	0.252	S	S	.	.			trans	49.3	74.4	-177.9	-156.9	4.8	0	0	0	115.6	K249 H366 N373 G388	K249-D386 IonicContact NZ-OD1 3.47Å; K249-D386 PolarHBondContact NZ-OD1 2.66Å; H366-D386 PolarHBondContact CE1-O 3.06Å; N373-D386 HydrophobicContact CB-CB 4.36Å; D386-G388 PolarHBondContact O-N 3.17Å; D386-G388 PolarHBondContact OD1-N 3.01Å
387	F	82.1	Confident	76.4	Confident	3 Å²	3	59.3 Å²	59.3	1%	0.013	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-84.2	13.1	178.3	-59.7	-78.2	0	0	0	113.5	E266 L269 M270 L273 L279 L359 H366 I384 L389 C390	E266-F387 HydrophobicContact CG-CB 4.48Å; L269-F387 HydrophobicContact CD2-CB 3.82Å; M270-F387 HydrophobicContact CE-CD2 4.03Å; M270-F387 HydrophobicContact CE-CE2 4.12Å; M270-F387 HydrophobicContact CG-CD2 4.06Å; M270-F387 HydrophobicContact SD-CD2 4.23Å; L273-F387 HydrophobicContact CD1-CD1 4.07Å; L273-F387 HydrophobicContact CD1-CE1 4.05Å; L273-F387 HydrophobicContact CD1-CG 4.46Å; L273-F387 HydrophobicContact CD1-CZ 4.44Å; L279-F387 HydrophobicContact CB-CZ 4.13Å; L279-F387 HydrophobicContact CD1-CZ 4.22Å; L279-F387 HydrophobicContact CD2-CE1 4.41Å; L279-F387 HydrophobicContact CD2-CZ 4.06Å; L279-F387 HydrophobicContact CG-CZ 4.36Å; L359-F387 HydrophobicContact CD1-CE1 4.05Å; L359-F387 HydrophobicContact CD2-CE1 4.15Å; H366-F387 AromaticContact CD2-CD1 3.96Å; H366-F387 AromaticContact CD2-CE1 3.95Å; I384-F387 WeakPolarHBondContact O-CZ 3.3Å; F387-L389 PolarHBondContact O-N 3.13Å; F387-C390 HydrophobicContact CB-CB 4.03Å; F387-C390 HydrophobicContact CD1-CB 4.15Å; F387-C390 WeakPolarHBondContact O-CB 3.26Å; F387-C390 PolarHBondContact O-N 2.94Å
388	G	74.6	Confident	73.6	Confident	7 Å²	7	63.5 Å²	63.5	7%	0.072	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-57.7	-33.5	-175.5	0	0	0	0	0	114.1	D386	D386-G388 PolarHBondContact O-N 3.17Å; D386-G388 PolarHBondContact OD1-N 3.01Å
389	L	70.5	Confident	71.2	Confident	78 Å²	78	61.5 Å²	61.5	41%	0.408	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-96.1	-7.2	177.2	-63.5	176.7	0	0	0	113.7	R367 D368 F387	R367-L389 HydrophobicContact CB-CB 4.43Å; R367-L389 WeakPolarHBondContact CD-O 3.06Å; D368-L389 HydrophobicContact CB-CD1 3.89Å; F387-L389 PolarHBondContact O-N 3.13Å
390	C	71.5	Confident	68.9	Low	1 Å²	1	58.7 Å²	58.7	1%	0.007	29%	0.287	C	S	.	.			trans	-70	138.9	-174.6	179.7	0	0	0	0	111.5	L269 V365 F387	L269-C390 HydrophobicContact CD2-CB 3.49Å; L269-C390 VanDerWaalsContact CD2-CB 3.49Å; V365-C390 CarbonylContact O-C 3.56Å; V365-C390 VanDerWaalsContact O-CA 3.26Å; V365-C390 WeakPolarHBondContact O-CA 3.44Å; V365-C390 PolarHBondContact O-SG 3.07Å; F387-C390 HydrophobicContact CB-CB 4.03Å; F387-C390 HydrophobicContact CD1-CB 4.15Å; F387-C390 WeakPolarHBondContact O-CB 3.26Å; F387-C390 PolarHBondContact O-N 2.94Å
391	R	73.8	Confident	66.1	Low	37 Å²	37	57.3 Å²	57.3	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.2	-174.8	-66.1	-66.2	178.8	-104.2	2.4	111.4	Y364 V365	Y364-R391 WeakPolarHBondContact CA-O 3.28Å; V365-R391 PolarHBondContact N-O 3.37Å; V365-R391 PolarHBondContact O-N 3.4Å
392	Y	56.6	Low	63.3	Low	76 Å²	76	63.4 Å²	63.4	30%	0.298	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.7	169.1	-169.3	-111.4	0	0	0	109.6	G363 Y364 Y394 S395	G363-Y392 WeakPolarHBondContact O-CA 3.46Å; G363-Y392 WeakPolarHBondContact O-CD2 3.41Å; G363-Y392 WeakPolarHBondContact O-CE2 3.43Å; Y364-Y392 HydrophobicContact CD1-CD2 4.25Å; Y364-Y392 HydrophobicContact CE1-CD2 4.08Å; Y392-Y394 HydrophobicContact CD1-CD2 4.24Å; Y392-Y394 AromaticContact CE1-CD2 3.61Å; Y392-Y394 HydrophobicContact CE1-CD2 3.61Å; Y392-Y394 HydrophobicContact CE1-CG 4.23Å; Y392-Y394 PolarHBondContact O-N 3.33Å; Y392-S395 WeakPolarHBondContact O-CB 3.49Å; Y392-S395 PolarHBondContact O-N 2.93Å
393	V	52.9	Low	60.6	Low	46 Å²	46	65.4 Å²	65.4	28%	0.279	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.1	-174.5	173.8	0	0	0	0	112.5	G363 V365 T423	G363-V393 WeakPolarHBondContact O-CG2 3.22Å; G363-V393 PolarHBondContact O-N 3Å; V365-V393 HydrophobicContact CG2-CB 4.35Å; V365-V393 HydrophobicContact CG2-CG2 3.36Å; V393-T423 HydrophobicContact CG2-CG2 4.28Å
394	Y	45.9	Very low	58.3	Low	128 Å²	128	66.6 Å²	66.6	50%	0.502	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	19.9	-176	-55.6	-84.5	0	0	0	113.9	R120 Y392 D396	R120-Y394 PolarHBondContact NH2-OH 3.31Å; R120-Y394 VanDerWaalsContact NH2-OH 3.14Å; Y392-Y394 HydrophobicContact CD1-CD2 4.24Å; Y392-Y394 AromaticContact CE1-CD2 3.61Å; Y392-Y394 HydrophobicContact CE1-CD2 3.61Å; Y392-Y394 HydrophobicContact CE1-CG 4.23Å; Y392-Y394 PolarHBondContact O-N 3.33Å; Y394-D396 PolarHBondContact O-N 3.09Å
395	S	51.8	Low	56.5	Low	46 Å²	46	74.9 Å²	74.9	32%	0.322	39%	0.385	S	S	.	.			trans	-71.4	104.1	169.7	164.3	0	0	0	0	108.7	Y392 M397	Y392-S395 WeakPolarHBondContact O-CB 3.49Å; Y392-S395 PolarHBondContact O-N 2.93Å; S395-M397 PolarHBondContact O-N 3.02Å
396	D	41.3	Very low	55.6	Low	167 Å²	167	76.2 Å²	76.2	89%	0.893	39%	0.391	S	S	*	.			trans	-62.8	22.9	179.7	-66.3	-31.5	0	0	0	115.3	Y394	Y394-D396 PolarHBondContact O-N 3.09Å
397	M	39.3	Very low	55.7	Low	140 Å²	140	74.2 Å²	74.2	69%	0.69	38%	0.381	S	S	*	.			trans	-127.9	105	178.7	-60.8	-166.5	-168.3	0	0	109.5	S395 Y399	S395-M397 PolarHBondContact O-N 3.02Å; M397-Y399 PolarHBondContact O-N 3.01Å
398	V	38.6	Very low	56.2	Low	107 Å²	107	74.7 Å²	74.7	65%	0.648	38%	0.384	S	S	*	.			trans	-64.6	84.9	156.6	-179.4	0	0	0	0	106.1	M400 C419	V398-M400 HydrophobicContact CG1-CG 4.29Å; V398-M400 PolarHBondContact O-N 2.88Å; V398-C419 HydrophobicContact CG1-CB 4.17Å
399	Y	40.3	Very low	57.2	Low	99 Å²	99	74.8 Å²	74.8	39%	0.388	38%	0.383	S	S	.	.			trans	-84.6	93.1	169.8	-164.4	-99.3	0	0	0	107.6	D262 M397 G401	D262-Y399 VanDerWaalsContact OD2-CE1 3.23Å; D262-Y399 WeakPolarHBondContact OD2-CE1 3.35Å; D262-Y399 PolarHBondContact OD2-OH 3.14Å; M397-Y399 PolarHBondContact O-N 3.01Å; Y399-G401 VanDerWaalsContact CE1-CA 3.45Å; Y399-G401 PolarHBondContact O-N 2.78Å
400	M	44.1	Very low	58.4	Low	76 Å²	76	72.6 Å²	72.6	37%	0.374	37%	0.369	S	S	.	.			trans	-79.6	103.8	150.2	-64.5	-139.7	-71.3	0	0	105.3	V398 K402 L406 M538	V398-M400 HydrophobicContact CG1-CG 4.29Å; V398-M400 PolarHBondContact O-N 2.88Å; M400-K402 PolarHBondContact O-N 2.88Å; M400-L406 HydrophobicContact SD-CD1 4.19Å; M400-M538 HydrophobicContact CE-CB 4.1Å
401	G	37.1	Very low	59.6	Low	25 Å²	25	72.9 Å²	72.9	26%	0.258	37%	0.371	S	S	.	.			trans	-51.1	131	166.6	0	0	0	0	0	107.4	Y399 G403 G404	Y399-G401 VanDerWaalsContact CE1-CA 3.45Å; Y399-G401 PolarHBondContact O-N 2.78Å; G401-G403 PolarHBondContact O-N 2.79Å; G401-G404 PolarHBondContact O-N 3.23Å
402	K	37	Very low	60.6	Low	217 Å²	217	71.1 Å²	71.1	94%	0.943	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	113.5	177.9	-77.8	-176.5	173.7	-178.2	0	108.4	M400	M400-K402 PolarHBondContact O-N 2.88Å
403	G	40.6	Very low	62.5	Low	44 Å²	44	68.5 Å²	68.5	45%	0.454	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	14.4	-179.1	0	0	0	0	0	116.1	G401 R405	G401-G403 PolarHBondContact O-N 2.79Å; G403-R405 PolarHBondContact O-N 3.08Å
404	G	50.5	Low	64.4	Low	38 Å²	38	67.2 Å²	67.2	39%	0.392	35%	0.346	S	S	.	.			trans	-62.6	119.5	177.7	0	0	0	0	0	112	G401 L406	G401-G404 PolarHBondContact O-N 3.23Å; G404-L406 PolarHBondContact O-N 3.31Å
405	R	60.4	Low	66.6	Low	178 Å²	178	61.2 Å²	61.2	67%	0.672	32%	0.322	S	S	*	.			trans	-67.1	107.2	176	-60	-165.1	154.3	164.1	-1.1	109.3	G403 V535	G403-R405 PolarHBondContact O-N 3.08Å; R405-V535 HydrophobicContact CB-CB 4.41Å; R405-V535 HydrophobicContact CB-CG1 3.3Å; R405-V535 HydrophobicContact CB-CG2 4.23Å; R405-V535 HydrophobicContact CG-CB 4.49Å; R405-V535 HydrophobicContact CG-CG1 3.31Å
406	L	72.8	Confident	68.5	Low	33 Å²	33	60 Å²	60	17%	0.173	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-87.1	139.8	179.3	-68.7	178.2	0	0	0	111.8	M400 G404 V408 M411	M400-L406 HydrophobicContact SD-CD1 4.19Å; G404-L406 PolarHBondContact O-N 3.31Å; L406-V408 HydrophobicContact CB-CG2 4.41Å; L406-V408 PolarHBondContact O-N 3.49Å; L406-M411 HydrophobicContact CB-SD 3.85Å; L406-M411 HydrophobicContact CD1-CE 4.31Å; L406-M411 HydrophobicContact CD1-SD 4.37Å
407	P	88.9	Confident	70.7	Confident	12 Å²	12	56 Å²	56	8%	0.078	29%	0.287	C	S	.	.			trans	-82	62.1	-179.7	37.1	-39.4	0	0	0	111.3	D368 K409 W410 M411	D368-P407 WeakPolarHBondContact OD1-CB 3.21Å; D368-P407 VanDerWaalsContact OD1-CG 3.3Å; D368-P407 WeakPolarHBondContact OD1-CG 3.37Å; P407-K409 PolarHBondContact O-N 3.37Å; P407-W410 HydrophobicContact CB-CB 4.44Å; P407-W410 HydrophobicContact CB-CE3 4.07Å; P407-W410 PolarHBondContact O-N 2.86Å; P407-M411 HydrophobicContact CG-CG 4.27Å; P407-M411 PolarHBondContact O-N 3.21Å
408	V	91.6	Very high	73	Confident	13 Å²	13	54 Å²	54	8%	0.079	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-50.1	-39.2	-166.4	-174.1	0	0	0	0	113.7	L406 W410 M411 I416 P450 M453 V536	L406-V408 HydrophobicContact CB-CG2 4.41Å; L406-V408 PolarHBondContact O-N 3.49Å; V408-W410 PolarHBondContact O-N 3.1Å; V408-M411 PolarHBondContact O-N 3.42Å; V408-M411 VanDerWaalsContact O-N 3.09Å; V408-I416 HydrophobicContact CG1-CD1 4.01Å; V408-I416 HydrophobicContact CG1-CG1 4.24Å; V408-P450 HydrophobicContact CB-CB 4.09Å; V408-P450 WeakPolarHBondContact CG1-O 3.48Å; V408-P450 HydrophobicContact CG2-CB 4.27Å; V408-M453 HydrophobicContact CG1-CB 3.85Å; V408-M453 HydrophobicContact CG1-CG 4.09Å; V408-V536 HydrophobicContact CG2-CB 4.37Å; V408-V536 HydrophobicContact CG2-CG2 4.44Å
409	K	95.5	Very high	75.2	Confident	10 Å²	10	50.6 Å²	50.6	4%	0.043	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-66.1	-18.2	179.2	-64.8	-168	172.6	-164	0	115.1	P407 P444 Y445 I448 M453	P407-K409 PolarHBondContact O-N 3.37Å; K409-P444 HydrophobicContact CB-CG 4.17Å; K409-P444 HydrophobicContact CD-CG 4.46Å; K409-P444 WeakPolarHBondContact CD-O 3.15Å; K409-P444 PolarHBondContact NZ-O 3.22Å; K409-Y445 HydrophobicContact CB-CD2 4.37Å; K409-Y445 PolarHBondContact NZ-O 2.77Å; K409-I448 WeakPolarHBondContact CE-O 3.4Å; K409-I448 PolarHBondContact NZ-O 2.92Å; K409-M453 HydrophobicContact CG-CG 4.24Å; K409-M453 HydrophobicContact CG-SD 4.16Å
410	W	96.8	Very high	77.4	Confident	32 Å²	32	50.7 Å²	50.7	12%	0.121	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-99.2	-10.4	175.2	-70	-102.2	0	0	0	112.6	V369 A370 P407 V408 S429 V432 E436 P444	V369-W410 VanDerWaalsContact O-CD1 3.31Å; A370-W410 HydrophobicContact CB-CD2 4.29Å; A370-W410 HydrophobicContact CB-CG 4.18Å; P407-W410 HydrophobicContact CB-CB 4.44Å; P407-W410 HydrophobicContact CB-CE3 4.07Å; P407-W410 PolarHBondContact O-N 2.86Å; V408-W410 PolarHBondContact O-N 3.1Å; W410-S429 VanDerWaalsContact O-CA 3.31Å; W410-S429 WeakPolarHBondContact O-CA 3.41Å; W410-S429 WeakPolarHBondContact O-CB 3.46Å; W410-S429 PolarHBondContact O-OG 3.17Å; W410-V432 VanDerWaalsContact CD1-CG1 3.45Å; W410-V432 HydrophobicContact CD2-CG1 4.32Å; W410-V432 HydrophobicContact CG-CB 4.36Å; W410-V432 HydrophobicContact CG-CG1 3.9Å; W410-E436 WeakPolarHBondContact CZ2-OE1 3.44Å; W410-E436 PolarHBondContact NE1-OE2 2.94Å; W410-P444 HydrophobicContact CD2-CG 4.43Å; W410-P444 HydrophobicContact CH2-CG 3.8Å; W410-P444 HydrophobicContact CZ2-CG 3.61Å; W410-P444 HydrophobicContact CZ3-CG 4.3Å
411	M	95.2	Very high	79.5	Confident	7 Å²	7	48.7 Å²	48.7	3%	0.034	25%	0.253	C	S	.	.	S	Bend	trans	-80.6	143.4	-174.5	-69.5	174	60.8	0	0	111.5	L406 P407 V408 A415 I416 F421 W428	L406-M411 HydrophobicContact CB-SD 3.85Å; L406-M411 HydrophobicContact CD1-CE 4.31Å; L406-M411 HydrophobicContact CD1-SD 4.37Å; P407-M411 HydrophobicContact CG-CG 4.27Å; P407-M411 PolarHBondContact O-N 3.21Å; V408-M411 PolarHBondContact O-N 3.42Å; V408-M411 VanDerWaalsContact O-N 3.09Å; M411-A415 HydrophobicContact CB-CB 4.37Å; M411-A415 HydrophobicContact CE-CB 3.97Å; M411-A415 VanDerWaalsContact CE-O 3.28Å; M411-A415 WeakPolarHBondContact CE-O 3.41Å; M411-I416 HydrophobicContact CB-CD1 4.15Å; M411-I416 HydrophobicContact CB-CG1 3.63Å; M411-I416 HydrophobicContact CE-CG1 4.22Å; M411-F421 HydrophobicContact CE-CE1 4.11Å; M411-F421 HydrophobicContact CE-CZ 3.87Å; M411-W428 PolarHBondContact O-NE1 2.87Å
412	A	96.4	Very high	82.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.			trans	-68.6	155	170.8	0	0	0	0	0	111.4	E414 A415 I416 W428	A412-E414 VanDerWaalsContact C-N 3.3Å; A412-E414 VanDerWaalsContact CB-CD 3.44Å; A412-E414 VanDerWaalsContact CB-OE1 3.25Å; A412-E414 WeakPolarHBondContact CB-OE1 3.47Å; A412-E414 VanDerWaalsContact CB-OE2 3.29Å; A412-E414 WeakPolarHBondContact CB-OE2 3.36Å; A412-E414 PolarHBondContact O-N 3.3Å; A412-A415 HydrophobicContact CB-CB 4.33Å; A412-A415 WeakPolarHBondContact O-CA 3.48Å; A412-A415 WeakPolarHBondContact O-CB 3.34Å; A412-A415 PolarHBondContact O-N 3Å; A412-I416 WeakPolarHBondContact O-CG1 3.24Å; A412-I416 PolarHBondContact O-N 3.22Å; A412-W428 HydrophobicContact CB-CB 3.66Å; A412-W428 HydrophobicContact CB-CD2 3.95Å; A412-W428 HydrophobicContact CB-CE3 4.31Å; A412-W428 HydrophobicContact CB-CG 3.65Å
413	L	95.4	Very high	84.8	Confident	21 Å²	21	41 Å²	41	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-42.5	-178.4	-179.3	59	0	0	0	112.5	A415 I416 K417 E454 L457 E458	L413-A415 VanDerWaalsContact C-N 3.29Å; L413-A415 PolarHBondContact O-N 2.92Å; L413-I416 PolarHBondContact O-N 3.22Å; L413-K417 HydrophobicContact CD1-CD 3.96Å; L413-K417 HydrophobicContact CD1-CG 4.04Å; L413-K417 HydrophobicContact CG-CD 4.09Å; L413-K417 HydrophobicContact CG-CG 4.48Å; L413-K417 WeakPolarHBondContact O-CB 3.43Å; L413-K417 WeakPolarHBondContact O-CG 3.14Å; L413-K417 PolarHBondContact O-N 3.36Å; L413-E454 HydrophobicContact CD1-CG 4.49Å; L413-L457 HydrophobicContact CD1-CB 3.99Å; L413-E458 HydrophobicContact CD1-CG 4.11Å
414	E	93.7	Very high	87.5	Confident	19 Å²	19	41.2 Å²	41.2	9%	0.089	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-30.2	176.2	72.5	-77.4	-174.2	0	0	113.1	A412 N418 C419 E420 P485 R488	A412-E414 VanDerWaalsContact C-N 3.3Å; A412-E414 VanDerWaalsContact CB-CD 3.44Å; A412-E414 VanDerWaalsContact CB-OE1 3.25Å; A412-E414 WeakPolarHBondContact CB-OE1 3.47Å; A412-E414 VanDerWaalsContact CB-OE2 3.29Å; A412-E414 WeakPolarHBondContact CB-OE2 3.36Å; A412-E414 PolarHBondContact O-N 3.3Å; E414-N418 WeakPolarHBondContact O-CB 3.28Å; E414-N418 PolarHBondContact O-N 2.75Å; E414-C419 PolarHBondContact O-N 3.47Å; E414-E420 HydrophobicContact CB-CB 4.35Å; E414-E420 HydrophobicContact CG-CB 4.22Å; E414-E420 PolarHBondContact O-N 2.93Å; E414-P485 HydrophobicContact CG-CG 4.1Å; E414-R488 IonicContact OE1-CZ 2.58Å; E414-R488 IonicContact OE1-NH1 2.73Å; E414-R488 PolarHBondContact OE1-NH1 3.39Å; E414-R488 IonicContact OE1-NH2 3.56Å; E414-R488 PolarHBondContact OE1-NH2 3.21Å; E414-R488 IonicContact OE2-CZ 3.33Å; E414-R488 IonicContact OE2-NH1 3.47Å; E414-R488 IonicContact OE2-NH2 2.79Å; E414-R488 PolarHBondContact OE2-NH2 3.35Å
415	A	92.2	Very high	89.6	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-74.5	-34.4	175.8	0	0	0	0	0	111.4	M411 A412 L413 C419 E420 F421	M411-A415 HydrophobicContact CB-CB 4.37Å; M411-A415 HydrophobicContact CE-CB 3.97Å; M411-A415 VanDerWaalsContact CE-O 3.28Å; M411-A415 WeakPolarHBondContact CE-O 3.41Å; A412-A415 HydrophobicContact CB-CB 4.33Å; A412-A415 WeakPolarHBondContact O-CA 3.48Å; A412-A415 WeakPolarHBondContact O-CB 3.34Å; A412-A415 PolarHBondContact O-N 3Å; L413-A415 VanDerWaalsContact C-N 3.29Å; L413-A415 PolarHBondContact O-N 2.92Å; A415-C419 WeakPolarHBondContact O-CA 3.46Å; A415-C419 PolarHBondContact O-N 3.21Å; A415-E420 WeakPolarHBondContact CA-O 3.39Å; A415-F421 HydrophobicContact CB-CD1 4.05Å; A415-F421 HydrophobicContact CB-CE1 3.82Å; A415-F421 HydrophobicContact CB-CZ 4.26Å
416	I	90.7	Very high	91.4	Very high	20 Å²	20	31.2 Å²	31.2	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-70.2	-50.8	174.7	-63.6	170.6	0	0	0	110.2	V408 M411 A412 L413 M453 E454 L457	V408-I416 HydrophobicContact CG1-CD1 4.01Å; V408-I416 HydrophobicContact CG1-CG1 4.24Å; M411-I416 HydrophobicContact CB-CD1 4.15Å; M411-I416 HydrophobicContact CB-CG1 3.63Å; M411-I416 HydrophobicContact CE-CG1 4.22Å; A412-I416 WeakPolarHBondContact O-CG1 3.24Å; A412-I416 PolarHBondContact O-N 3.22Å; L413-I416 PolarHBondContact O-N 3.22Å; I416-M453 HydrophobicContact CD1-CB 4.4Å; I416-E454 HydrophobicContact CG2-CB 3.85Å; I416-E454 HydrophobicContact CG2-CG 4.12Å; I416-L457 HydrophobicContact CD1-CD1 3.88Å
417	K	88.7	Confident	92.6	Very high	85 Å²	85	29.7 Å²	29.7	37%	0.37	15%	0.151	S	C	.	.	H	α-helix	trans	-71	-51	-174.5	-75.4	-175	156.4	-169.4	0	114.1	L413 E454 E458	L413-K417 HydrophobicContact CD1-CD 3.96Å; L413-K417 HydrophobicContact CD1-CG 4.04Å; L413-K417 HydrophobicContact CG-CD 4.09Å; L413-K417 HydrophobicContact CG-CG 4.48Å; L413-K417 WeakPolarHBondContact O-CB 3.43Å; L413-K417 WeakPolarHBondContact O-CG 3.14Å; L413-K417 PolarHBondContact O-N 3.36Å; K417-E454 HydrophobicContact CG-CG 4.02Å; K417-E454 WeakPolarHBondContact CG-OE1 3.3Å; K417-E458 VanDerWaalsContact CE-CD 3.46Å; K417-E458 VanDerWaalsContact CE-CG 3.48Å; K417-E458 WeakPolarHBondContact CE-OE1 3.44Å; K417-E458 IonicContact NZ-OE1 2.57Å; K417-E458 PolarHBondContact NZ-OE1 3.48Å
418	N	85.8	Confident	93.1	Very high	98 Å²	98	29.1 Å²	29.1	52%	0.524	15%	0.147	S	C	.	.	H	α-helix	trans	-116	1.7	-164.9	-60.1	-12.4	0	0	0	112.5	E414 E420	E414-N418 WeakPolarHBondContact O-CB 3.28Å; E414-N418 PolarHBondContact O-N 2.75Å; N418-E420 HydrophobicContact CB-CB 4.37Å; N418-E420 HydrophobicContact CB-CG 3.71Å; N418-E420 VanDerWaalsContact CB-OE1 3.26Å; N418-E420 WeakPolarHBondContact CB-OE1 3.43Å; N418-E420 PolarHBondContact ND2-OE1 2.94Å; N418-E420 PolarHBondContact O-N 2.88Å
419	C	85	Confident	93.4	Very high	35 Å²	35	28.8 Å²	28.8	24%	0.236	15%	0.145	C	C	.	.			trans	54.1	31.6	-169.4	-66.9	0	0	0	0	112.8	V398 E414 A415 F421	V398-C419 HydrophobicContact CG1-CB 4.17Å; E414-C419 PolarHBondContact O-N 3.47Å; A415-C419 WeakPolarHBondContact O-CA 3.46Å; A415-C419 PolarHBondContact O-N 3.21Å; C419-F421 HydrophobicContact CB-CE2 4.26Å; C419-F421 WeakPolarHBondContact O-CD2 3.38Å; C419-F421 PolarHBondContact O-N 2.91Å
420	E	86.5	Confident	93.6	Very high	101 Å²	101	28.3 Å²	28.3	47%	0.472	14%	0.143	S	C	.	.			trans	-86.1	108.9	178.2	-73.9	175.5	-144.3	0	0	110.4	E414 A415 N418	E414-E420 HydrophobicContact CB-CB 4.35Å; E414-E420 HydrophobicContact CG-CB 4.22Å; E414-E420 PolarHBondContact O-N 2.93Å; A415-E420 WeakPolarHBondContact CA-O 3.39Å; N418-E420 HydrophobicContact CB-CB 4.37Å; N418-E420 HydrophobicContact CB-CG 3.71Å; N418-E420 VanDerWaalsContact CB-OE1 3.26Å; N418-E420 WeakPolarHBondContact CB-OE1 3.43Å; N418-E420 PolarHBondContact ND2-OE1 2.94Å; N418-E420 PolarHBondContact O-N 2.88Å
421	F	88.6	Confident	93.7	Very high	33 Å²	33	26.8 Å²	26.8	15%	0.145	14%	0.137	C	C	.	.			trans	-110.8	122.2	179.9	-64.1	-85.8	0	0	0	111.2	V365 R367 M411 A415 C419	V365-F421 HydrophobicContact CG1-CB 4.33Å; R367-F421 HydrophobicContact CB-CD1 4.11Å; R367-F421 HydrophobicContact CB-CE1 4.37Å; R367-F421 HydrophobicContact CG-CB 4.11Å; R367-F421 HydrophobicContact CG-CD1 3.78Å; R367-F421 HydrophobicContact CG-CE1 4.47Å; R367-F421 HydrophobicContact CG-CG 4.05Å; M411-F421 HydrophobicContact CE-CE1 4.11Å; M411-F421 HydrophobicContact CE-CZ 3.87Å; A415-F421 HydrophobicContact CB-CD1 4.05Å; A415-F421 HydrophobicContact CB-CE1 3.82Å; A415-F421 HydrophobicContact CB-CZ 4.26Å; C419-F421 HydrophobicContact CB-CE2 4.26Å; C419-F421 WeakPolarHBondContact O-CD2 3.38Å; C419-F421 PolarHBondContact O-N 2.91Å
422	T	91.7	Very high	93.8	Very high	47 Å²	47	26.4 Å²	26.4	29%	0.288	14%	0.136	S	C	.	.			trans	-138.4	173.2	-179.9	67.9	0	0	0	0	110.4	V365 K424 S425 D426	V365-T422 VanDerWaalsContact CG1-O 3.32Å; V365-T422 WeakPolarHBondContact CG1-O 3.41Å; T422-K424 PolarHBondContact O-N 3.49Å; T422-K424 VanDerWaalsContact O-N 3.15Å; T422-K424 PolarHBondContact OG1-N 3Å; T422-S425 PolarHBondContact N-OG 2.74Å; T422-S425 PolarHBondContact O-N 3Å; T422-S425 PolarHBondContact O-OG 2.92Å; T422-S425 PolarHBondContact OG1-N 3.24Å; T422-D426 PolarHBondContact O-N 3.48Å
423	T	93.9	Very high	94	Very high	34 Å²	34	26.4 Å²	26.4	21%	0.209	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-26.1	170.6	55.4	0	0	0	0	111.9	S360 V365 V393 D426 V427	S360-T423 WeakPolarHBondContact OG-CG2 3.3Å; V365-T423 HydrophobicContact CG2-CG2 4.5Å; V393-T423 HydrophobicContact CG2-CG2 4.28Å; T423-D426 PolarHBondContact O-N 3.14Å; T423-V427 WeakPolarHBondContact O-CG2 3.41Å; T423-V427 PolarHBondContact O-N 3.21Å; T423-V427 VanDerWaalsContact O-N 3.08Å
424	K	97	Very high	94.1	Very high	48 Å²	48	25.4 Å²	25.4	21%	0.209	13%	0.13	C	C	.	.	H	α-helix	trans	-76.7	-26.1	175.1	-62.4	-66.2	-177.8	173	0	113.3	T422 V427 W428 P485 R488 P489	T422-K424 PolarHBondContact O-N 3.49Å; T422-K424 VanDerWaalsContact O-N 3.15Å; T422-K424 PolarHBondContact OG1-N 3Å; K424-V427 PolarHBondContact O-N 2.85Å; K424-W428 PolarHBondContact O-N 2.62Å; K424-P485 HydrophobicContact CB-CB 3.94Å; K424-P485 WeakPolarHBondContact CD-O 3.19Å; K424-R488 HydrophobicContact CD-CB 4.26Å; K424-R488 PolarHBondContact NZ-O 2.77Å; K424-R488 WeakPolarHBondContact O-CD 3.4Å; K424-R488 PolarHBondContact O-NH1 2.78Å; K424-P489 PolarHBondContact NZ-O 2.86Å
425	S	95.9	Very high	94.3	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-72.1	-34.9	169.2	66.6	0	0	0	0	111.1	T422 V427 W428 S429	T422-S425 PolarHBondContact N-OG 2.74Å; T422-S425 PolarHBondContact O-N 3Å; T422-S425 PolarHBondContact O-OG 2.92Å; T422-S425 PolarHBondContact OG1-N 3.24Å; S425-V427 VanDerWaalsContact C-N 3.31Å; S425-V427 PolarHBondContact O-N 3.26Å; S425-W428 WeakPolarHBondContact O-CB 3.36Å; S425-W428 PolarHBondContact O-N 3.47Å; S425-S429 PolarHBondContact O-N 3.32Å; S425-S429 VanDerWaalsContact O-N 3.16Å; S425-S429 PolarHBondContact O-OG 3.4Å
426	D	97.7	Very high	94.6	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-34	170.8	-76.7	-12.9	0	0	0	112.1	V365 H366 R367 V369 T422 T423 W428 S429 F430 F491	V365-D426 VanDerWaalsContact CA-OD2 3.29Å; V365-D426 WeakPolarHBondContact CA-OD2 3.32Å; V365-D426 WeakPolarHBondContact CG1-OD1 3.47Å; V365-D426 WeakPolarHBondContact CG1-OD2 3.43Å; H366-D426 PolarHBondContact N-OD2 2.94Å; R367-D426 PolarHBondContact N-OD1 2.68Å; V369-D426 HydrophobicContact CG2-CB 4.3Å; T422-D426 PolarHBondContact O-N 3.48Å; T423-D426 PolarHBondContact O-N 3.14Å; D426-W428 VanDerWaalsContact C-N 3.31Å; D426-W428 PolarHBondContact O-N 3.07Å; D426-S429 PolarHBondContact O-N 2.99Å; D426-F430 WeakPolarHBondContact O-CB 3.3Å; D426-F430 PolarHBondContact O-N 3.31Å; D426-F491 HydrophobicContact CB-CE2 4.12Å; D426-F491 HydrophobicContact CB-CZ 4.01Å
427	V	98.6	Very high	94.9	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-41	173.1	166.8	0	0	0	0	111.2	T423 K424 S425 F430 G431 C480 R488 P489 F491 I494	T423-V427 WeakPolarHBondContact O-CG2 3.41Å; T423-V427 PolarHBondContact O-N 3.21Å; T423-V427 VanDerWaalsContact O-N 3.08Å; K424-V427 PolarHBondContact O-N 2.85Å; S425-V427 VanDerWaalsContact C-N 3.31Å; S425-V427 PolarHBondContact O-N 3.26Å; V427-F430 WeakPolarHBondContact O-CB 3.37Å; V427-F430 PolarHBondContact O-N 2.61Å; V427-G431 PolarHBondContact O-N 3.31Å; V427-C480 HydrophobicContact CG1-CB 4.1Å; V427-C480 WeakPolarHBondContact O-CB 3.47Å; V427-R488 HydrophobicContact CG1-CB 3.95Å; V427-P489 HydrophobicContact CG1-CG 4.45Å; V427-F491 HydrophobicContact CB-CZ 4.41Å; V427-F491 HydrophobicContact CG2-CD1 4.37Å; V427-F491 HydrophobicContact CG2-CD2 4.14Å; V427-F491 HydrophobicContact CG2-CE1 4.02Å; V427-F491 HydrophobicContact CG2-CE2 3.78Å; V427-F491 HydrophobicContact CG2-CG 4.42Å; V427-F491 HydrophobicContact CG2-CZ 3.7Å; V427-I494 HydrophobicContact CG1-CD1 3.91Å; V427-I494 HydrophobicContact CG2-CD1 4.26Å
428	W	98.6	Very high	95.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.4	-49.3	173.5	176	-72.6	0	0	0	111.5	M411 A412 K424 S425 D426 F430 G431 V432 L457 W481	M411-W428 PolarHBondContact O-NE1 2.87Å; A412-W428 HydrophobicContact CB-CB 3.66Å; A412-W428 HydrophobicContact CB-CD2 3.95Å; A412-W428 HydrophobicContact CB-CE3 4.31Å; A412-W428 HydrophobicContact CB-CG 3.65Å; K424-W428 PolarHBondContact O-N 2.62Å; S425-W428 WeakPolarHBondContact O-CB 3.36Å; S425-W428 PolarHBondContact O-N 3.47Å; D426-W428 VanDerWaalsContact C-N 3.31Å; D426-W428 PolarHBondContact O-N 3.07Å; W428-F430 PolarHBondContact O-N 3.34Å; W428-G431 WeakPolarHBondContact O-CA 3.36Å; W428-G431 PolarHBondContact O-N 3.47Å; W428-V432 PolarHBondContact O-N 3.41Å; W428-L457 HydrophobicContact CH2-CD1 4.19Å; W428-L457 HydrophobicContact CH2-CD2 3.95Å; W428-L457 HydrophobicContact CZ2-CD1 3.66Å; W428-L457 HydrophobicContact CZ2-CD2 3.72Å; W428-L457 HydrophobicContact CZ2-CG 4.29Å; W428-W481 AromaticContact CD2-CD1 3.66Å; W428-W481 HydrophobicContact CD2-CG 4.46Å; W428-W481 AromaticContact CE2-CD1 3.8Å; W428-W481 HydrophobicContact CE3-CB 4.15Å; W428-W481 AromaticContact CG-CD1 3.93Å; W428-W481 HydrophobicContact CH2-CB 4.26Å; W428-W481 HydrophobicContact CZ3-CB 3.99Å; W428-W481 WeakPolarHBondContact CZ3-O 3.22Å; W428-W481 PolarHBondContact O-NE1 3.06Å
429	S	98.5	Very high	95.7	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-36.3	178.3	-55.9	0	0	0	0	111.8	W410 S425 D426 V432 L433	W410-S429 VanDerWaalsContact O-CA 3.31Å; W410-S429 WeakPolarHBondContact O-CA 3.41Å; W410-S429 WeakPolarHBondContact O-CB 3.46Å; W410-S429 PolarHBondContact O-OG 3.17Å; S425-S429 PolarHBondContact O-N 3.32Å; S425-S429 VanDerWaalsContact O-N 3.16Å; S425-S429 PolarHBondContact O-OG 3.4Å; D426-S429 PolarHBondContact O-N 2.99Å; S429-V432 WeakPolarHBondContact O-CB 3.45Å; S429-V432 PolarHBondContact O-N 3.12Å; S429-L433 PolarHBondContact O-N 3.42Å
430	F	98.8	Very high	96.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-40.8	172	-178.5	-99	0	0	0	112.3	I352 L356 V369 D426 V427 W428 V432 L433 L434 F491 I494 L498	I352-F430 HydrophobicContact CB-CE2 4.03Å; I352-F430 HydrophobicContact CG2-CD2 3.98Å; I352-F430 HydrophobicContact CG2-CE2 3.71Å; L356-F430 HydrophobicContact CD1-CB 4.09Å; L356-F430 HydrophobicContact CD1-CD2 3.44Å; L356-F430 VanDerWaalsContact CD1-CD2 3.44Å; L356-F430 HydrophobicContact CD1-CE2 4.22Å; L356-F430 HydrophobicContact CD1-CG 4.08Å; V369-F430 HydrophobicContact CG1-CB 4.5Å; D426-F430 WeakPolarHBondContact O-CB 3.3Å; D426-F430 PolarHBondContact O-N 3.31Å; V427-F430 WeakPolarHBondContact O-CB 3.37Å; V427-F430 PolarHBondContact O-N 2.61Å; W428-F430 PolarHBondContact O-N 3.34Å; F430-V432 VanDerWaalsContact C-N 3.29Å; F430-V432 PolarHBondContact O-N 2.85Å; F430-L433 HydrophobicContact CD2-CD2 4.4Å; F430-L433 CarbonylContact O-C 3.59Å; F430-L433 WeakPolarHBondContact O-CA 3.28Å; F430-L433 WeakPolarHBondContact O-CB 3.46Å; F430-L433 PolarHBondContact O-N 3.38Å; F430-L433 VanDerWaalsContact O-N 3.1Å; F430-L434 HydrophobicContact CD1-CD1 4.22Å; F430-L434 HydrophobicContact CD1-CD2 4.37Å; F430-L434 HydrophobicContact CD1-CG 4.08Å; F430-L434 HydrophobicContact CE1-CD1 3.77Å; F430-L434 HydrophobicContact CE1-CD2 3.61Å; F430-L434 HydrophobicContact CE1-CG 3.72Å; F430-L434 HydrophobicContact CE2-CD2 4.21Å; F430-L434 HydrophobicContact CZ-CD2 3.54Å; F430-L434 HydrophobicContact CZ-CG 4.15Å; F430-L434 WeakPolarHBondContact O-CG 3.28Å; F430-L434 PolarHBondContact O-N 3.34Å; F430-F491 HydrophobicContact CB-CE1 3.82Å; F430-F491 HydrophobicContact CB-CZ 4.32Å; F430-F491 HydrophobicContact CD1-CE1 4.38Å; F430-F491 HydrophobicContact CD2-CE1 4.3Å; F430-F491 AromaticContact CG-CE1 3.91Å; F430-F491 HydrophobicContact CG-CE1 3.91Å; F430-I494 HydrophobicContact CD1-CD1 4.2Å; F430-I494 HydrophobicContact CD1-CG2 4.07Å; F430-I494 HydrophobicContact CE1-CG2 3.35Å; F430-I494 HydrophobicContact CZ-CG2 3.99Å; F430-L498 HydrophobicContact CE1-CD1 4.22Å; F430-L498 HydrophobicContact CZ-CD1 3.89Å
431	G	98.7	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56.9	-41.6	172.1	0	0	0	0	0	112.7	V427 W428 L434 F435 W481	V427-G431 PolarHBondContact O-N 3.31Å; W428-G431 WeakPolarHBondContact O-CA 3.36Å; W428-G431 PolarHBondContact O-N 3.47Å; G431-L434 WeakPolarHBondContact O-CB 3.32Å; G431-L434 PolarHBondContact O-N 3.1Å; G431-F435 PolarHBondContact O-N 2.8Å; G431-W481 VanDerWaalsContact O-CZ2 3.24Å; G431-W481 WeakPolarHBondContact O-CZ2 3.46Å
432	V	98.7	Very high	96.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.3	-38.6	174.6	-175.8	0	0	0	0	111.5	W410 W428 S429 F430 L434 F435 E436 P444 M463 W481	W410-V432 VanDerWaalsContact CD1-CG1 3.45Å; W410-V432 HydrophobicContact CD2-CG1 4.32Å; W410-V432 HydrophobicContact CG-CB 4.36Å; W410-V432 HydrophobicContact CG-CG1 3.9Å; W428-V432 PolarHBondContact O-N 3.41Å; S429-V432 WeakPolarHBondContact O-CB 3.45Å; S429-V432 PolarHBondContact O-N 3.12Å; F430-V432 VanDerWaalsContact C-N 3.29Å; F430-V432 PolarHBondContact O-N 2.85Å; V432-L434 PolarHBondContact O-N 3.47Å; V432-F435 VanDerWaalsContact O-CB 3.3Å; V432-F435 WeakPolarHBondContact O-CB 3.44Å; V432-F435 PolarHBondContact O-N 2.89Å; V432-F435 VanDerWaalsContact O-N 3.17Å; V432-E436 PolarHBondContact O-N 3.31Å; V432-P444 HydrophobicContact CG1-CB 3.61Å; V432-P444 HydrophobicContact CG1-CG 3.93Å; V432-M463 HydrophobicContact CG1-CE 4.22Å; V432-M463 HydrophobicContact CG2-CE 4.24Å; V432-W481 HydrophobicContact CG2-CZ2 4.25Å
433	L	98.7	Very high	97	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.4	-38.2	173.6	174.6	54.8	0	0	0	112.4	I352 V369 A371 V374 S429 F430 F435 E436 I437	I352-L433 HydrophobicContact CD1-CD2 4.11Å; I352-L433 HydrophobicContact CG2-CD2 3.87Å; V369-L433 HydrophobicContact CG1-CB 4.43Å; V369-L433 HydrophobicContact CG1-CD2 3.63Å; A371-L433 HydrophobicContact CB-CD1 3.75Å; V374-L433 HydrophobicContact CG2-CD2 4.12Å; S429-L433 PolarHBondContact O-N 3.42Å; F430-L433 HydrophobicContact CD2-CD2 4.4Å; F430-L433 CarbonylContact O-C 3.59Å; F430-L433 WeakPolarHBondContact O-CA 3.28Å; F430-L433 WeakPolarHBondContact O-CB 3.46Å; F430-L433 PolarHBondContact O-N 3.38Å; F430-L433 VanDerWaalsContact O-N 3.1Å; L433-F435 VanDerWaalsContact C-N 3.26Å; L433-F435 PolarHBondContact O-N 3.46Å; L433-E436 WeakPolarHBondContact O-CB 3.29Å; L433-E436 PolarHBondContact O-N 2.81Å; L433-E436 VanDerWaalsContact O-N 3.16Å; L433-I437 HydrophobicContact CD1-CD1 4.01Å; L433-I437 HydrophobicContact CD1-CG1 4.08Å; L433-I437 HydrophobicContact CG-CD1 3.97Å; L433-I437 VanDerWaalsContact O-CG1 3.29Å; L433-I437 WeakPolarHBondContact O-CG1 3.34Å; L433-I437 PolarHBondContact O-N 3.45Å
434	L	98.6	Very high	97.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.3	-39.3	173.1	-64	-173.1	0	0	0	111.4	S349 F430 G431 V432 I437 I438 M473 I476 M477	S349-L434 VanDerWaalsContact CB-CD2 3.47Å; S349-L434 WeakPolarHBondContact OG-CD2 3.26Å; F430-L434 HydrophobicContact CD1-CD1 4.22Å; F430-L434 HydrophobicContact CD1-CD2 4.37Å; F430-L434 HydrophobicContact CD1-CG 4.08Å; F430-L434 HydrophobicContact CE1-CD1 3.77Å; F430-L434 HydrophobicContact CE1-CD2 3.61Å; F430-L434 HydrophobicContact CE1-CG 3.72Å; F430-L434 HydrophobicContact CE2-CD2 4.21Å; F430-L434 HydrophobicContact CZ-CD2 3.54Å; F430-L434 HydrophobicContact CZ-CG 4.15Å; F430-L434 WeakPolarHBondContact O-CG 3.28Å; F430-L434 PolarHBondContact O-N 3.34Å; G431-L434 WeakPolarHBondContact O-CB 3.32Å; G431-L434 PolarHBondContact O-N 3.1Å; V432-L434 PolarHBondContact O-N 3.47Å; L434-I437 PolarHBondContact O-N 2.98Å; L434-I438 WeakPolarHBondContact O-CG2 3.48Å; L434-I438 PolarHBondContact O-N 3.26Å; L434-M473 HydrophobicContact CB-CE 3.93Å; L434-M473 HydrophobicContact CD2-CE 3.97Å; L434-M473 HydrophobicContact CG-CE 4.41Å; L434-I476 HydrophobicContact CD1-CB 4.33Å; L434-I476 HydrophobicContact CD1-CG2 3.72Å; L434-M477 HydrophobicContact CB-CE 3.66Å; L434-M477 HydrophobicContact CB-CG 3.92Å; L434-M477 HydrophobicContact CB-SD 4.25Å; L434-M477 HydrophobicContact CD1-CG 4.06Å
435	F	98	Very high	97	Very high	6 Å²	6	2.5 Å²	2.5	3%	0.026	2%	0.016	C	C	.	.	H	α-helix	trans	-61.3	-46.8	172.8	178	-82.6	0	0	0	111.3	G431 V432 L433 I437 T439 P444 M463 P466 M477 W481 Y520	G431-F435 PolarHBondContact O-N 2.8Å; V432-F435 VanDerWaalsContact O-CB 3.3Å; V432-F435 WeakPolarHBondContact O-CB 3.44Å; V432-F435 PolarHBondContact O-N 2.89Å; V432-F435 VanDerWaalsContact O-N 3.17Å; L433-F435 VanDerWaalsContact C-N 3.26Å; L433-F435 PolarHBondContact O-N 3.46Å; F435-I437 VanDerWaalsContact C-N 3.32Å; F435-I437 PolarHBondContact O-N 3.15Å; F435-T439 HydrophobicContact CD1-CG2 4.28Å; F435-T439 HydrophobicContact CD2-CG2 4.44Å; F435-T439 HydrophobicContact CE1-CG2 3.99Å; F435-T439 HydrophobicContact CE2-CG2 4.18Å; F435-T439 HydrophobicContact CG-CG2 4.48Å; F435-T439 HydrophobicContact CZ-CG2 3.94Å; F435-T439 WeakPolarHBondContact O-CB 3.45Å; F435-T439 VanDerWaalsContact O-CG2 3.28Å; F435-T439 WeakPolarHBondContact O-CG2 3.11Å; F435-T439 PolarHBondContact O-N 3.17Å; F435-T439 PolarHBondContact O-OG1 2.82Å; F435-P444 HydrophobicContact CD1-CB 4.4Å; F435-M463 HydrophobicContact CB-CE 3.97Å; F435-M463 HydrophobicContact CD1-CE 4.3Å; F435-M463 HydrophobicContact CD1-SD 3.94Å; F435-M463 HydrophobicContact CD2-CB 4.2Å; F435-M463 HydrophobicContact CD2-CE 4.11Å; F435-M463 HydrophobicContact CD2-SD 3.87Å; F435-M463 HydrophobicContact CE1-SD 4.01Å; F435-M463 HydrophobicContact CE2-CB 4.12Å; F435-M463 HydrophobicContact CE2-SD 3.92Å; F435-M463 HydrophobicContact CG-CE 3.87Å; F435-M463 HydrophobicContact CG-SD 3.89Å; F435-M463 HydrophobicContact CZ-SD 4Å; F435-P466 HydrophobicContact CD2-CG 3.69Å; F435-P466 HydrophobicContact CE2-CG 3.66Å; F435-M477 HydrophobicContact CB-SD 4.16Å; F435-W481 HydrophobicContact CB-CH2 4.42Å; F435-Y520 HydrophobicContact CZ-CD1 4.3Å; F435-Y520 HydrophobicContact CZ-CG 4.17Å
436	E	98.2	Very high	96.9	Very high	4 Å²	4	4.5 Å²	4.5	2%	0.019	3%	0.028	C	C	.	.	H	α-helix	trans	-58.5	-43.3	175.8	-66.8	-175.1	98.1	0	0	111.8	A371 W410 V432 L433 T439 L440 G441	A371-E436 HydrophobicContact CB-CB 4.04Å; A371-E436 HydrophobicContact CB-CG 4.47Å; A371-E436 PolarHBondContact N-OE2 3.36Å; W410-E436 WeakPolarHBondContact CZ2-OE1 3.44Å; W410-E436 PolarHBondContact NE1-OE2 2.94Å; V432-E436 PolarHBondContact O-N 3.31Å; L433-E436 WeakPolarHBondContact O-CB 3.29Å; L433-E436 PolarHBondContact O-N 2.81Å; L433-E436 VanDerWaalsContact O-N 3.16Å; E436-T439 PolarHBondContact O-OG1 2.84Å; E436-L440 PolarHBondContact O-N 3.39Å; E436-G441 WeakPolarHBondContact O-CA 3.28Å; E436-G441 PolarHBondContact O-N 2.94Å
437	I	97.7	Very high	96.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.3	-53.4	-179.7	-69.1	166.2	0	0	0	110.9	L304 L308 L345 I352 L433 L434 F435 T439 L440	L304-I437 HydrophobicContact CD2-CD1 4.24Å; L304-I437 HydrophobicContact CD2-CG1 4.05Å; L308-I437 HydrophobicContact CD1-CG1 4.33Å; L345-I437 HydrophobicContact CB-CG2 3.86Å; L345-I437 HydrophobicContact CD2-CG2 4.04Å; L345-I437 HydrophobicContact CG-CG2 4.48Å; L345-I437 WeakPolarHBondContact O-CG2 3.5Å; I352-I437 HydrophobicContact CD1-CD1 3.69Å; L433-I437 HydrophobicContact CD1-CD1 4.01Å; L433-I437 HydrophobicContact CD1-CG1 4.08Å; L433-I437 HydrophobicContact CG-CD1 3.97Å; L433-I437 VanDerWaalsContact O-CG1 3.29Å; L433-I437 WeakPolarHBondContact O-CG1 3.34Å; L433-I437 PolarHBondContact O-N 3.45Å; L434-I437 PolarHBondContact O-N 2.98Å; F435-I437 VanDerWaalsContact C-N 3.32Å; F435-I437 PolarHBondContact O-N 3.15Å; I437-T439 PolarHBondContact O-N 3.16Å; I437-L440 PolarHBondContact O-N 3.02Å
438	I	95.7	Very high	96.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-70.2	-18.3	-175.5	-157.9	56.9	0	0	0	112.7	L342 L345 L434 P466 C469 M473 M477 Y511	L342-I438 HydrophobicContact CD1-CD1 3.83Å; L345-I438 HydrophobicContact CD1-CD1 3.93Å; L434-I438 WeakPolarHBondContact O-CG2 3.48Å; L434-I438 PolarHBondContact O-N 3.26Å; I438-P466 HydrophobicContact CG2-CB 4.18Å; I438-P466 HydrophobicContact CG2-CG 3.8Å; I438-C469 HydrophobicContact CG1-CB 3.73Å; I438-C469 HydrophobicContact CG2-CB 4.14Å; I438-M473 HydrophobicContact CB-CE 4.06Å; I438-M473 HydrophobicContact CB-SD 4.16Å; I438-M473 HydrophobicContact CD1-SD 3.83Å; I438-M473 HydrophobicContact CG1-SD 4.03Å; I438-M477 HydrophobicContact CB-CE 4.37Å; I438-M477 HydrophobicContact CG2-CE 3.71Å; I438-Y511 HydrophobicContact CD1-CE2 4.2Å; I438-Y511 PolarHBondContact O-OH 2.89Å
439	T	95	Very high	95.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	9.3	174.1	59.5	0	0	0	0	112.8	F435 E436 I437 G441 G442 P466 Y520 Y521	F435-T439 HydrophobicContact CD1-CG2 4.28Å; F435-T439 HydrophobicContact CD2-CG2 4.44Å; F435-T439 HydrophobicContact CE1-CG2 3.99Å; F435-T439 HydrophobicContact CE2-CG2 4.18Å; F435-T439 HydrophobicContact CG-CG2 4.48Å; F435-T439 HydrophobicContact CZ-CG2 3.94Å; F435-T439 WeakPolarHBondContact O-CB 3.45Å; F435-T439 VanDerWaalsContact O-CG2 3.28Å; F435-T439 WeakPolarHBondContact O-CG2 3.11Å; F435-T439 PolarHBondContact O-N 3.17Å; F435-T439 PolarHBondContact O-OG1 2.82Å; E436-T439 PolarHBondContact O-OG1 2.84Å; I437-T439 PolarHBondContact O-N 3.16Å; T439-G441 PolarHBondContact O-N 3.05Å; T439-G442 PolarHBondContact O-N 3.2Å; T439-G442 VanDerWaalsContact OG1-CA 3.26Å; T439-G442 WeakPolarHBondContact OG1-CA 3.3Å; T439-G442 PolarHBondContact OG1-N 2.65Å; T439-P466 HydrophobicContact CG2-CB 3.73Å; T439-P466 HydrophobicContact CG2-CG 3.7Å; T439-Y520 HydrophobicContact CG2-CD2 3.74Å; T439-Y520 HydrophobicContact CG2-CE2 3.65Å; T439-Y520 HydrophobicContact CG2-CG 4.33Å; T439-Y521 WeakPolarHBondContact O-CE1 3.39Å
440	L	95.7	Very high	95.3	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	54.5	-174.9	-55.1	-176.5	0	0	0	112.5	L308 R312 M315 L340 L345 E436 I437 Y511 L514	L308-L440 HydrophobicContact CB-CB 4.5Å; L308-L440 HydrophobicContact CD2-CD2 3.88Å; R312-L440 HydrophobicContact CB-CB 3.83Å; R312-L440 HydrophobicContact CB-CD1 4.02Å; R312-L440 HydrophobicContact CG-CB 4.17Å; R312-L440 HydrophobicContact CG-CD1 4.25Å; R312-L440 PolarHBondContact NH1-O 3.26Å; R312-L440 VanDerWaalsContact NH1-O 3.08Å; M315-L440 HydrophobicContact SD-CD1 4.1Å; L340-L440 HydrophobicContact CD1-CD2 4.07Å; L345-L440 HydrophobicContact CD1-CD2 3.89Å; L345-L440 HydrophobicContact CD2-CD2 3.59Å; L345-L440 HydrophobicContact CG-CD2 4.36Å; E436-L440 PolarHBondContact O-N 3.39Å; I437-L440 PolarHBondContact O-N 3.02Å; L440-Y511 HydrophobicContact CD1-CE1 3.91Å; L440-Y511 HydrophobicContact CG-CE1 4.25Å; L440-L514 HydrophobicContact CD1-CD1 4.09Å; L440-L514 HydrophobicContact CD1-CD2 3.97Å
441	G	96.2	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	77.9	33.3	178.2	0	0	0	0	0	114.1	R309 R312 E436 T439	R309-G441 PolarHBondContact NE-O 3.4Å; R309-G441 PolarHBondContact NH2-O 3.29Å; R312-G441 PolarHBondContact NH1-O 2.77Å; E436-G441 WeakPolarHBondContact O-CA 3.28Å; E436-G441 PolarHBondContact O-N 2.94Å; T439-G441 PolarHBondContact O-N 3.05Å
442	G	94.2	Very high	94.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-67.1	150.9	170.1	0	0	0	0	0	111.9	T439 Y520	T439-G442 PolarHBondContact O-N 3.2Å; T439-G442 VanDerWaalsContact OG1-CA 3.26Å; T439-G442 WeakPolarHBondContact OG1-CA 3.3Å; T439-G442 PolarHBondContact OG1-N 2.65Å; G442-Y520 CarbonylContact C-O 3.59Å; G442-Y520 WeakPolarHBondContact CA-O 3.29Å
443	S	93.3	Very high	94.2	Very high	25 Å²	25	25.6 Å²	25.6	18%	0.175	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-78.7	125.6	179	-169.9	0	0	0	0	110.3	Y520	S443-Y520 PolarHBondContact N-O 3.3Å
444	P	95.9	Very high	94	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.17	C	C	.	.	S	Bend	trans	-66.4	147.4	175.5	28.8	-34.5	0	0	0	110.7	K409 W410 V432 F435 M463	K409-P444 HydrophobicContact CB-CG 4.17Å; K409-P444 HydrophobicContact CD-CG 4.46Å; K409-P444 WeakPolarHBondContact CD-O 3.15Å; K409-P444 PolarHBondContact NZ-O 3.22Å; W410-P444 HydrophobicContact CD2-CG 4.43Å; W410-P444 HydrophobicContact CH2-CG 3.8Å; W410-P444 HydrophobicContact CZ2-CG 3.61Å; W410-P444 HydrophobicContact CZ3-CG 4.3Å; V432-P444 HydrophobicContact CG1-CB 3.61Å; V432-P444 HydrophobicContact CG1-CG 3.93Å; F435-P444 HydrophobicContact CD1-CB 4.4Å; P444-M463 HydrophobicContact CB-CE 4.13Å; P444-M463 HydrophobicContact CB-SD 3.72Å
445	Y	95.4	Very high	93.9	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	44.1	63.4	-177	-56.1	-85	0	0	0	111.8	K409 G447 I448 M453 L456 L457 M463	K409-Y445 HydrophobicContact CB-CD2 4.37Å; K409-Y445 PolarHBondContact NZ-O 2.77Å; Y445-G447 PolarHBondContact O-N 2.89Å; Y445-I448 PolarHBondContact O-N 2.94Å; Y445-M453 HydrophobicContact CD1-CE 4.05Å; Y445-M453 HydrophobicContact CD1-SD 4.29Å; Y445-M453 HydrophobicContact CD2-CE 3.53Å; Y445-M453 HydrophobicContact CD2-SD 3.96Å; Y445-M453 HydrophobicContact CE1-CE 4.04Å; Y445-M453 HydrophobicContact CE2-CE 3.53Å; Y445-M453 HydrophobicContact CG-CE 3.81Å; Y445-M453 HydrophobicContact CG-SD 3.82Å; Y445-L456 HydrophobicContact CD1-CD2 4.09Å; Y445-L457 HydrophobicContact CE1-CD2 4.25Å; Y445-M463 HydrophobicContact CD1-CG 3.66Å; Y445-M463 HydrophobicContact CD1-SD 4.41Å; Y445-M463 HydrophobicContact CD2-CE 4.35Å; Y445-M463 HydrophobicContact CD2-CG 4.2Å; Y445-M463 HydrophobicContact CD2-SD 3.91Å; Y445-M463 HydrophobicContact CE1-CG 3.54Å; Y445-M463 HydrophobicContact CE1-SD 4.46Å; Y445-M463 HydrophobicContact CE2-CE 3.83Å; Y445-M463 HydrophobicContact CE2-CG 4.08Å; Y445-M463 HydrophobicContact CE2-SD 3.95Å; Y445-M463 HydrophobicContact CG-CG 3.99Å; Y445-M463 HydrophobicContact CG-SD 4.14Å; Y445-M463 PolarHBondContact N-SD 3.38Å
446	P	92.2	Very high	93.8	Very high	44 Å²	44	36.6 Å²	36.6	29%	0.286	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	138.7	-175.4	26.7	-34.9	0	0	0	110.9	I448 D519	P446-I448 PolarHBondContact O-N 3.38Å; P446-I448 VanDerWaalsContact O-N 3.12Å; P446-D519 HydrophobicContact CB-CB 3.85Å; P446-D519 HydrophobicContact CG-CB 3.93Å
447	G	91.3	Very high	93.7	Very high	82 Å²	82	36.5 Å²	36.5	85%	0.845	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	-16.2	-177.8	0	0	0	0	0	116.1	Y445	Y445-G447 PolarHBondContact O-N 2.89Å
448	I	92.3	Very high	93.7	Very high	54 Å²	54	41.4 Å²	41.4	28%	0.277	23%	0.227	S	C	.	.			trans	-82	132.9	178.2	-52.7	-55.5	0	0	0	110.3	K409 Y445 P446 D452 M453 L456	K409-I448 WeakPolarHBondContact CE-O 3.4Å; K409-I448 PolarHBondContact NZ-O 2.92Å; Y445-I448 PolarHBondContact O-N 2.94Å; P446-I448 PolarHBondContact O-N 3.38Å; P446-I448 VanDerWaalsContact O-N 3.12Å; I448-D452 HydrophobicContact CG2-CB 4.24Å; I448-M453 HydrophobicContact CG2-SD 3.86Å; I448-L456 HydrophobicContact CB-CD2 4.45Å; I448-L456 HydrophobicContact CD1-CD2 4.32Å; I448-L456 HydrophobicContact CG1-CD2 3.96Å; I448-L456 HydrophobicContact CG2-CD2 3.8Å
449	Q	88.7	Confident	93.7	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	26%	0.257	S	S	.	.			trans	-80.3	146.7	175	-56.9	-168.8	18.3	0	0	110.7	M451 D452	Q449-M451 HydrophobicContact CB-CE 4.47Å; Q449-M451 HydrophobicContact CB-CG 4.23Å; Q449-M451 PolarHBondContact O-N 3Å; Q449-M451 VanDerWaalsContact O-N 3.14Å; Q449-D452 PolarHBondContact O-N 3.49Å
450	P	87.6	Confident	93.7	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.058	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-51.3	-37.2	177.9	-29.8	34.9	0	0	0	114.9	V408 D452 M453 N534 V536	V408-P450 HydrophobicContact CB-CB 4.09Å; V408-P450 WeakPolarHBondContact CG1-O 3.48Å; V408-P450 HydrophobicContact CG2-CB 4.27Å; P450-D452 VanDerWaalsContact C-N 3.25Å; P450-D452 PolarHBondContact O-N 3.27Å; P450-M453 VanDerWaalsContact O-CB 3.29Å; P450-M453 WeakPolarHBondContact O-CB 3.1Å; P450-M453 WeakPolarHBondContact O-CG 3.17Å; P450-M453 PolarHBondContact O-N 2.69Å; P450-N534 VanDerWaalsContact CG-C 3.42Å; P450-N534 HydrophobicContact CG-CB 4.4Å; P450-N534 WeakPolarHBondContact CG-O 3.49Å; P450-V536 HydrophobicContact CB-CG2 3.67Å
451	M	87.8	Confident	93.8	Very high	125 Å²	125	53.9 Å²	53.9	62%	0.616	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.2	-25	-179.2	69.7	-169.7	-171.8	0	0	113.4	Q449 M453	Q449-M451 HydrophobicContact CB-CE 4.47Å; Q449-M451 HydrophobicContact CB-CG 4.23Å; Q449-M451 PolarHBondContact O-N 3Å; Q449-M451 VanDerWaalsContact O-N 3.14Å; M451-M453 VanDerWaalsContact C-N 3.33Å
452	D	93.2	Very high	93.9	Very high	75 Å²	75	55.8 Å²	55.8	40%	0.401	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-87.1	-8.2	-179.4	-58.6	-45.8	0	0	0	112.3	I448 Q449 P450 E454 L456	I448-D452 HydrophobicContact CG2-CB 4.24Å; Q449-D452 PolarHBondContact O-N 3.49Å; P450-D452 VanDerWaalsContact C-N 3.25Å; P450-D452 PolarHBondContact O-N 3.27Å; D452-E454 PolarHBondContact O-N 2.88Å; D452-L456 WeakPolarHBondContact O-CB 3.41Å; D452-L456 PolarHBondContact O-N 2.91Å
453	M	93.8	Very high	94	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-39.8	-175.1	-74.9	-62.1	-52.7	0	0	113	V408 K409 I416 Y445 I448 P450 M451 L456 L457	V408-M453 HydrophobicContact CG1-CB 3.85Å; V408-M453 HydrophobicContact CG1-CG 4.09Å; K409-M453 HydrophobicContact CG-CG 4.24Å; K409-M453 HydrophobicContact CG-SD 4.16Å; I416-M453 HydrophobicContact CD1-CB 4.4Å; Y445-M453 HydrophobicContact CD1-CE 4.05Å; Y445-M453 HydrophobicContact CD1-SD 4.29Å; Y445-M453 HydrophobicContact CD2-CE 3.53Å; Y445-M453 HydrophobicContact CD2-SD 3.96Å; Y445-M453 HydrophobicContact CE1-CE 4.04Å; Y445-M453 HydrophobicContact CE2-CE 3.53Å; Y445-M453 HydrophobicContact CG-CE 3.81Å; Y445-M453 HydrophobicContact CG-SD 3.82Å; I448-M453 HydrophobicContact CG2-SD 3.86Å; P450-M453 VanDerWaalsContact O-CB 3.29Å; P450-M453 WeakPolarHBondContact O-CB 3.1Å; P450-M453 WeakPolarHBondContact O-CG 3.17Å; P450-M453 PolarHBondContact O-N 2.69Å; M451-M453 VanDerWaalsContact C-N 3.33Å; M453-L456 PolarHBondContact O-N 3.44Å; M453-L456 HydrophobicContact SD-CD2 4.45Å; M453-L457 HydrophobicContact CE-CD1 3.91Å; M453-L457 HydrophobicContact CE-CD2 4.25Å; M453-L457 HydrophobicContact CE-CG 4.02Å; M453-L457 WeakPolarHBondContact O-CB 3.33Å; M453-L457 WeakPolarHBondContact O-CG 3.46Å; M453-L457 PolarHBondContact O-N 3.41Å
454	E	93.1	Very high	94.1	Very high	73 Å²	73	62.3 Å²	62.3	34%	0.341	33%	0.333	S	S	.	.	H	α-helix	trans	-58.6	-56.5	-179.3	-173.4	179.6	162.8	0	0	110.5	L413 I416 K417 D452 L456 L457 E458	L413-E454 HydrophobicContact CD1-CG 4.49Å; I416-E454 HydrophobicContact CG2-CB 3.85Å; I416-E454 HydrophobicContact CG2-CG 4.12Å; K417-E454 HydrophobicContact CG-CG 4.02Å; K417-E454 WeakPolarHBondContact CG-OE1 3.3Å; D452-E454 PolarHBondContact O-N 2.88Å; E454-L456 PolarHBondContact O-N 3.29Å; E454-L457 PolarHBondContact O-N 2.89Å; E454-E458 WeakPolarHBondContact O-CG 3.44Å; E454-E458 PolarHBondContact O-N 3.09Å
455	K	96.1	Very high	94.1	Very high	134 Å²	134	65.8 Å²	65.8	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-59	-45.4	179.4	-177.6	-178.5	173.4	-173.4	0	112	L457 E458 E459	K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 3.43Å; K455-E458 PolarHBondContact O-N 3.11Å; K455-E459 WeakPolarHBondContact CE-OE1 3.49Å; K455-E459 WeakPolarHBondContact O-CG 3.39Å; K455-E459 PolarHBondContact O-N 3.25Å
456	L	96.6	Very high	94	Very high	29 Å²	29	65.9 Å²	65.9	15%	0.152	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-44.2	179.5	-175.7	68.3	0	0	0	111.6	Y445 I448 D452 M453 E454 E459 H461	Y445-L456 HydrophobicContact CD1-CD2 4.09Å; I448-L456 HydrophobicContact CB-CD2 4.45Å; I448-L456 HydrophobicContact CD1-CD2 4.32Å; I448-L456 HydrophobicContact CG1-CD2 3.96Å; I448-L456 HydrophobicContact CG2-CD2 3.8Å; D452-L456 WeakPolarHBondContact O-CB 3.41Å; D452-L456 PolarHBondContact O-N 2.91Å; M453-L456 PolarHBondContact O-N 3.44Å; M453-L456 HydrophobicContact SD-CD2 4.45Å; E454-L456 PolarHBondContact O-N 3.29Å; L456-E459 PolarHBondContact O-N 2.84Å; L456-H461 HydrophobicContact CD1-CB 3.63Å; L456-H461 HydrophobicContact CG-CB 3.8Å; L456-H461 VanDerWaalsContact O-CB 3.3Å; L456-H461 WeakPolarHBondContact O-CB 3.44Å; L456-H461 PolarHBondContact O-N 2.92Å
457	L	96.9	Very high	93.7	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-74.3	-33	-179.2	-67.8	179.1	0	0	0	113	L413 I416 W428 Y445 M453 E454 K455 E459 G460 R462	L413-L457 HydrophobicContact CD1-CB 3.99Å; I416-L457 HydrophobicContact CD1-CD1 3.88Å; W428-L457 HydrophobicContact CH2-CD1 4.19Å; W428-L457 HydrophobicContact CH2-CD2 3.95Å; W428-L457 HydrophobicContact CZ2-CD1 3.66Å; W428-L457 HydrophobicContact CZ2-CD2 3.72Å; W428-L457 HydrophobicContact CZ2-CG 4.29Å; Y445-L457 HydrophobicContact CE1-CD2 4.25Å; M453-L457 HydrophobicContact CE-CD1 3.91Å; M453-L457 HydrophobicContact CE-CD2 4.25Å; M453-L457 HydrophobicContact CE-CG 4.02Å; M453-L457 WeakPolarHBondContact O-CB 3.33Å; M453-L457 WeakPolarHBondContact O-CG 3.46Å; M453-L457 PolarHBondContact O-N 3.41Å; E454-L457 PolarHBondContact O-N 2.89Å; K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 3.43Å; L457-E459 VanDerWaalsContact C-N 3.34Å; L457-G460 PolarHBondContact O-N 3.32Å; L457-G460 VanDerWaalsContact O-N 3.11Å; L457-R462 PolarHBondContact O-NH1 3.49Å
458	E	95.9	Very high	93.2	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-39.6	171.2	-75.8	-174.1	127.2	0	0	112.4	L413 K417 E454 K455 G460	L413-E458 HydrophobicContact CD1-CG 4.11Å; K417-E458 VanDerWaalsContact CE-CD 3.46Å; K417-E458 VanDerWaalsContact CE-CG 3.48Å; K417-E458 WeakPolarHBondContact CE-OE1 3.44Å; K417-E458 IonicContact NZ-OE1 2.57Å; K417-E458 PolarHBondContact NZ-OE1 3.48Å; E454-E458 WeakPolarHBondContact O-CG 3.44Å; E454-E458 PolarHBondContact O-N 3.09Å; K455-E458 PolarHBondContact O-N 3.11Å; E458-G460 PolarHBondContact O-N 3.1Å; E458-G460 VanDerWaalsContact O-N 3.12Å
459	E	96.6	Very high	93.2	Very high	136 Å²	136	62.2 Å²	62.2	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.6	174.8	-70.1	174	-177.3	0	0	112.7	K455 L456 L457	K455-E459 WeakPolarHBondContact CE-OE1 3.49Å; K455-E459 WeakPolarHBondContact O-CG 3.39Å; K455-E459 PolarHBondContact O-N 3.25Å; L456-E459 PolarHBondContact O-N 2.84Å; L457-E459 VanDerWaalsContact C-N 3.34Å
460	G	96.1	Very high	93.4	Very high	48 Å²	48	58.9 Å²	58.9	50%	0.495	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	4.9	176.2	0	0	0	0	0	114.1	L457 E458	L457-G460 PolarHBondContact O-N 3.32Å; L457-G460 VanDerWaalsContact O-N 3.11Å; E458-G460 PolarHBondContact O-N 3.1Å; E458-G460 VanDerWaalsContact O-N 3.12Å
461	H	96.9	Very high	93.7	Very high	79 Å²	79	64 Å²	64	37%	0.366	33%	0.327	S	S	.	.			trans	-63.4	140.7	179	-179.7	86.5	0	0	0	111.2	L456	L456-H461 HydrophobicContact CD1-CB 3.63Å; L456-H461 HydrophobicContact CG-CB 3.8Å; L456-H461 VanDerWaalsContact O-CB 3.3Å; L456-H461 WeakPolarHBondContact O-CB 3.44Å; L456-H461 PolarHBondContact O-N 2.92Å
462	R	97.4	Very high	94	Very high	41 Å²	41	61.8 Å²	61.8	16%	0.155	32%	0.317	C	S	.	.			trans	-137.8	153.9	175.3	-61.7	-61.4	-178.3	-91.1	1	108.4	L457 W481	L457-R462 PolarHBondContact O-NH1 3.49Å; R462-W481 HydrophobicContact CB-CE3 4.35Å; R462-W481 PolarHBondContact NE-O 3.12Å; R462-W481 PolarHBondContact NH2-O 3.1Å
463	M	97	Very high	94.2	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.039	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.4	138	177.1	-68.4	-177.3	-72.8	0	0	110.7	V432 F435 P444 Y445 Y474 W481	V432-M463 HydrophobicContact CG1-CE 4.22Å; V432-M463 HydrophobicContact CG2-CE 4.24Å; F435-M463 HydrophobicContact CB-CE 3.97Å; F435-M463 HydrophobicContact CD1-CE 4.3Å; F435-M463 HydrophobicContact CD1-SD 3.94Å; F435-M463 HydrophobicContact CD2-CB 4.2Å; F435-M463 HydrophobicContact CD2-CE 4.11Å; F435-M463 HydrophobicContact CD2-SD 3.87Å; F435-M463 HydrophobicContact CE1-SD 4.01Å; F435-M463 HydrophobicContact CE2-CB 4.12Å; F435-M463 HydrophobicContact CE2-SD 3.92Å; F435-M463 HydrophobicContact CG-CE 3.87Å; F435-M463 HydrophobicContact CG-SD 3.89Å; F435-M463 HydrophobicContact CZ-SD 4Å; P444-M463 HydrophobicContact CB-CE 4.13Å; P444-M463 HydrophobicContact CB-SD 3.72Å; Y445-M463 HydrophobicContact CD1-CG 3.66Å; Y445-M463 HydrophobicContact CD1-SD 4.41Å; Y445-M463 HydrophobicContact CD2-CE 4.35Å; Y445-M463 HydrophobicContact CD2-CG 4.2Å; Y445-M463 HydrophobicContact CD2-SD 3.91Å; Y445-M463 HydrophobicContact CE1-CG 3.54Å; Y445-M463 HydrophobicContact CE1-SD 4.46Å; Y445-M463 HydrophobicContact CE2-CE 3.83Å; Y445-M463 HydrophobicContact CE2-CG 4.08Å; Y445-M463 HydrophobicContact CE2-SD 3.95Å; Y445-M463 HydrophobicContact CG-CG 3.99Å; Y445-M463 HydrophobicContact CG-SD 4.14Å; Y445-M463 PolarHBondContact N-SD 3.38Å; M463-Y474 PolarHBondContact O-OH 3.36Å; M463-W481 HydrophobicContact CB-CH2 4.22Å; M463-W481 HydrophobicContact CB-CZ3 4.31Å; M463-W481 HydrophobicContact CE-CH2 3.52Å; M463-W481 HydrophobicContact CE-CZ2 3.37Å; M463-W481 HydrophobicContact CE-CZ3 4.47Å
464	E	95.7	Very high	94.4	Very high	154 Å²	154	60.1 Å²	60.1	72%	0.72	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-67.1	158.1	175.4	-60.9	-177.2	169.2	0	0	111.7	P466	E464-P466 VanDerWaalsContact O-CD 3.28Å; E464-P466 WeakPolarHBondContact O-CD 3.42Å
465	Q	96.3	Very high	94.6	Very high	73 Å²	73	58.9 Å²	58.9	34%	0.341	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-61.7	121.4	175.5	-172.6	168.8	5.3	0	0	110.7	C469 D471 Y474	Q465-C469 HydrophobicContact CG-CB 4.12Å; Q465-C469 PolarHBondContact NE2-O 2.95Å; Q465-D471 PolarHBondContact NE2-OD1 2.98Å; Q465-Y474 VanDerWaalsContact CA-CE2 3.48Å; Q465-Y474 HydrophobicContact CB-CD1 3.7Å; Q465-Y474 HydrophobicContact CB-CD2 3.82Å; Q465-Y474 HydrophobicContact CB-CE1 3.71Å; Q465-Y474 HydrophobicContact CB-CE2 3.84Å; Q465-Y474 HydrophobicContact CB-CG 3.76Å; Q465-Y474 HydrophobicContact CG-CD1 3.82Å; Q465-Y474 HydrophobicContact CG-CD2 3.99Å; Q465-Y474 HydrophobicContact CG-CE1 4.35Å; Q465-Y474 HydrophobicContact CG-CG 3.61Å; Q465-Y474 PolarHBondContact N-OH 2.97Å
466	P	93.5	Very high	94.7	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.032	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-62.4	148.5	173.7	-23.6	35.2	0	0	0	111.7	F435 I438 T439 E464 N468 C469	F435-P466 HydrophobicContact CD2-CG 3.69Å; F435-P466 HydrophobicContact CE2-CG 3.66Å; I438-P466 HydrophobicContact CG2-CB 4.18Å; I438-P466 HydrophobicContact CG2-CG 3.8Å; T439-P466 HydrophobicContact CG2-CB 3.73Å; T439-P466 HydrophobicContact CG2-CG 3.7Å; E464-P466 VanDerWaalsContact O-CD 3.28Å; E464-P466 WeakPolarHBondContact O-CD 3.42Å; P466-N468 PolarHBondContact O-N 3.21Å; P466-N468 VanDerWaalsContact O-N 3.1Å; P466-C469 HydrophobicContact CB-CB 3.96Å; P466-C469 HydrophobicContact CG-CB 4.16Å; P466-C469 WeakPolarHBondContact O-CB 3.5Å; P466-C469 PolarHBondContact O-N 3.3Å
467	V	86	Confident	94.8	Very high	72 Å²	72	51.2 Å²	51.2	44%	0.436	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.9	-173.7	-178.2	0	0	0	0	113.2	R518	V467-R518 HydrophobicContact CG2-CG 4.46Å; V467-R518 VanDerWaalsContact CG2-CZ 3.43Å; V467-R518 VanDerWaalsContact CG2-NH2 3.28Å
468	N	80.1	Confident	94.9	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.123	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	16.5	-177	-54.1	-30.4	0	0	0	112.6	P466 Y511 T512 G513	P466-N468 PolarHBondContact O-N 3.21Å; P466-N468 VanDerWaalsContact O-N 3.1Å; N468-Y511 HydrophobicContact CB-CD2 4.14Å; N468-Y511 HydrophobicContact CB-CE1 4.29Å; N468-Y511 HydrophobicContact CB-CE2 3.43Å; N468-Y511 VanDerWaalsContact CB-CE2 3.43Å; N468-Y511 PolarHBondContact ND2-OH 3.19Å; N468-T512 PolarHBondContact OD1-O 3Å; N468-G513 PolarHBondContact ND2-O 3.16Å; N468-G513 PolarHBondContact OD1-O 3.06Å; N468-G513 VanDerWaalsContact OD1-O 3.11Å
469	C	92	Very high	95	Very high	8 Å²	8	51.5 Å²	51.5	5%	0.054	28%	0.275	C	S	.	.			trans	-95.8	118.8	-178.5	-174.5	0	0	0	0	110.8	I438 Q465 P466	I438-C469 HydrophobicContact CG1-CB 3.73Å; I438-C469 HydrophobicContact CG2-CB 4.14Å; Q465-C469 HydrophobicContact CG-CB 4.12Å; Q465-C469 PolarHBondContact NE2-O 2.95Å; P466-C469 HydrophobicContact CB-CB 3.96Å; P466-C469 HydrophobicContact CG-CB 4.16Å; P466-C469 WeakPolarHBondContact O-CB 3.5Å; P466-C469 PolarHBondContact O-N 3.3Å
470	P	92.6	Very high	95.1	Very high	38 Å²	38	45 Å²	45	25%	0.247	25%	0.245	C	C	.	.			trans	-62.8	147.4	172.8	-19.2	30.6	0	0	0	112	L342 D472 M473 Y474	L342-P470 HydrophobicContact CD1-CG 3.79Å; L342-P470 HydrophobicContact CD2-CG 3.63Å; L342-P470 HydrophobicContact CG-CG 4.35Å; P470-D472 PolarHBondContact O-N 3.28Å; P470-M473 PolarHBondContact O-N 3.47Å; P470-Y474 PolarHBondContact O-N 3.3Å
471	D	94.1	Very high	95.3	Very high	117 Å²	117	43 Å²	43	63%	0.626	22%	0.222	S	C	*	.	H	α-helix	trans	-54.7	-39.3	179.3	-65.7	-12.7	0	0	0	112.6	Q465 M473 Y474 S475	Q465-D471 PolarHBondContact NE2-OD1 2.98Å; D471-M473 VanDerWaalsContact C-N 3.3Å; D471-M473 PolarHBondContact O-N 3Å; D471-Y474 PolarHBondContact O-N 3Å; D471-S475 VanDerWaalsContact O-CB 3.32Å; D471-S475 WeakPolarHBondContact O-CB 3.4Å; D471-S475 PolarHBondContact O-N 3.21Å
472	D	94.2	Very high	95.3	Very high	78 Å²	78	42.5 Å²	42.5	42%	0.417	22%	0.22	S	C	.	.	H	α-helix	trans	-58.3	-41.6	177	-79	9.5	0	0	0	111.7	P470 I476 M501 K504	P470-D472 PolarHBondContact O-N 3.28Å; D472-I476 WeakPolarHBondContact O-CG1 3.35Å; D472-I476 PolarHBondContact O-N 2.93Å; D472-M501 HydrophobicContact CB-CE 3.87Å; D472-M501 HydrophobicContact CB-CG 4.11Å; D472-M501 HydrophobicContact CB-SD 3.97Å; D472-K504 IonicContact OD2-NZ 2.78Å
473	M	96.7	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-74.6	-41.7	179.4	-169	167.2	-179.3	0	0	111	V346 S349 L434 I438 P470 D471 S475 I476 M477 M501	V346-M473 HydrophobicContact CG2-SD 4.45Å; S349-M473 WeakPolarHBondContact OG-CE 3.44Å; L434-M473 HydrophobicContact CB-CE 3.93Å; L434-M473 HydrophobicContact CD2-CE 3.97Å; L434-M473 HydrophobicContact CG-CE 4.41Å; I438-M473 HydrophobicContact CB-CE 4.06Å; I438-M473 HydrophobicContact CB-SD 4.16Å; I438-M473 HydrophobicContact CD1-SD 3.83Å; I438-M473 HydrophobicContact CG1-SD 4.03Å; P470-M473 PolarHBondContact O-N 3.47Å; D471-M473 VanDerWaalsContact C-N 3.3Å; D471-M473 PolarHBondContact O-N 3Å; M473-S475 VanDerWaalsContact C-N 3.32Å; M473-S475 PolarHBondContact O-N 2.91Å; M473-I476 WeakPolarHBondContact O-CB 3.15Å; M473-I476 PolarHBondContact O-N 3.48Å; M473-M477 HydrophobicContact CE-CE 4.13Å; M473-M477 HydrophobicContact CG-CE 3.89Å; M473-M477 WeakPolarHBondContact O-CG 3.46Å; M473-M477 PolarHBondContact O-N 3.25Å; M473-M477 VanDerWaalsContact O-N 3.12Å; M473-M477 HydrophobicContact SD-CE 4.44Å; M473-M501 HydrophobicContact CB-CE 3.63Å; M473-M501 HydrophobicContact CB-SD 4.29Å; M473-M501 HydrophobicContact CG-CE 4.47Å
474	Y	98	Very high	95.2	Very high	41 Å²	41	47.5 Å²	47.5	16%	0.161	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-36.9	177.6	-175.2	-121.7	0	0	0	112.1	M463 Q465 P470 D471 I476 M477 L478	M463-Y474 PolarHBondContact O-OH 3.36Å; Q465-Y474 VanDerWaalsContact CA-CE2 3.48Å; Q465-Y474 HydrophobicContact CB-CD1 3.7Å; Q465-Y474 HydrophobicContact CB-CD2 3.82Å; Q465-Y474 HydrophobicContact CB-CE1 3.71Å; Q465-Y474 HydrophobicContact CB-CE2 3.84Å; Q465-Y474 HydrophobicContact CB-CG 3.76Å; Q465-Y474 HydrophobicContact CG-CD1 3.82Å; Q465-Y474 HydrophobicContact CG-CD2 3.99Å; Q465-Y474 HydrophobicContact CG-CE1 4.35Å; Q465-Y474 HydrophobicContact CG-CG 3.61Å; Q465-Y474 PolarHBondContact N-OH 2.97Å; P470-Y474 PolarHBondContact O-N 3.3Å; D471-Y474 PolarHBondContact O-N 3Å; Y474-I476 VanDerWaalsContact C-N 3.32Å; Y474-I476 PolarHBondContact O-N 2.85Å; Y474-M477 HydrophobicContact CD2-SD 4.36Å; Y474-M477 WeakPolarHBondContact O-CB 3.4Å; Y474-M477 PolarHBondContact O-N 3.35Å; Y474-L478 HydrophobicContact CD1-CD1 4Å; Y474-L478 HydrophobicContact CD1-CG 4.39Å; Y474-L478 HydrophobicContact CE1-CD1 3.63Å; Y474-L478 HydrophobicContact CE1-CD2 4.35Å; Y474-L478 HydrophobicContact CE1-CG 4.03Å; Y474-L478 HydrophobicContact CE2-CD2 4.38Å; Y474-L478 HydrophobicContact CE2-CG 4.35Å; Y474-L478 PolarHBondContact O-N 3.26Å
475	S	98.2	Very high	95.3	Very high	48 Å²	48	41.6 Å²	41.6	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-42.7	171.7	171	0	0	0	0	111.7	D471 M473 M477 L478 D479 R497	D471-S475 VanDerWaalsContact O-CB 3.32Å; D471-S475 WeakPolarHBondContact O-CB 3.4Å; D471-S475 PolarHBondContact O-N 3.21Å; M473-S475 VanDerWaalsContact C-N 3.32Å; M473-S475 PolarHBondContact O-N 2.91Å; S475-M477 VanDerWaalsContact C-N 3.29Å; S475-M477 PolarHBondContact O-N 2.82Å; S475-L478 PolarHBondContact O-N 3.49Å; S475-D479 VanDerWaalsContact O-CG 3.23Å; S475-D479 PolarHBondContact O-N 2.86Å; S475-R497 PolarHBondContact OG-NH2 3.15Å
476	I	98.6	Very high	95.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-41.8	173.9	-63.5	165.5	0	0	0	110.4	L434 D472 M473 Y474 D479 C480 I494 R497 L498 M501	L434-I476 HydrophobicContact CD1-CB 4.33Å; L434-I476 HydrophobicContact CD1-CG2 3.72Å; D472-I476 WeakPolarHBondContact O-CG1 3.35Å; D472-I476 PolarHBondContact O-N 2.93Å; M473-I476 WeakPolarHBondContact O-CB 3.15Å; M473-I476 PolarHBondContact O-N 3.48Å; Y474-I476 VanDerWaalsContact C-N 3.32Å; Y474-I476 PolarHBondContact O-N 2.85Å; I476-D479 PolarHBondContact O-N 3.18Å; I476-C480 PolarHBondContact O-N 3.14Å; I476-C480 PolarHBondContact O-SG 3.46Å; I476-I494 HydrophobicContact CG2-CG2 4.34Å; I476-R497 HydrophobicContact CD1-CB 3.95Å; I476-R497 HydrophobicContact CG1-CB 4.33Å; I476-R497 VanDerWaalsContact CG1-CZ 3.5Å; I476-L498 HydrophobicContact CD1-CD2 3.81Å; I476-L498 HydrophobicContact CD1-CG 4.09Å; I476-M501 HydrophobicContact CD1-SD 3.81Å
477	M	98.7	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-46.6	178	-60.1	-174.6	-161.3	0	0	111.9	L434 F435 I438 M473 Y474 S475 D479 C480 W481	L434-M477 HydrophobicContact CB-CE 3.66Å; L434-M477 HydrophobicContact CB-CG 3.92Å; L434-M477 HydrophobicContact CB-SD 4.25Å; L434-M477 HydrophobicContact CD1-CG 4.06Å; F435-M477 HydrophobicContact CB-SD 4.16Å; I438-M477 HydrophobicContact CB-CE 4.37Å; I438-M477 HydrophobicContact CG2-CE 3.71Å; M473-M477 HydrophobicContact CE-CE 4.13Å; M473-M477 HydrophobicContact CG-CE 3.89Å; M473-M477 WeakPolarHBondContact O-CG 3.46Å; M473-M477 PolarHBondContact O-N 3.25Å; M473-M477 VanDerWaalsContact O-N 3.12Å; M473-M477 HydrophobicContact SD-CE 4.44Å; Y474-M477 HydrophobicContact CD2-SD 4.36Å; Y474-M477 WeakPolarHBondContact O-CB 3.4Å; Y474-M477 PolarHBondContact O-N 3.35Å; S475-M477 VanDerWaalsContact C-N 3.29Å; S475-M477 PolarHBondContact O-N 2.82Å; M477-D479 VanDerWaalsContact C-N 3.31Å; M477-D479 PolarHBondContact O-N 3.27Å; M477-C480 WeakPolarHBondContact O-CB 3.49Å; M477-C480 PolarHBondContact O-N 3.38Å; M477-C480 VanDerWaalsContact O-N 3.13Å; M477-W481 HydrophobicContact CB-CE3 4.11Å; M477-W481 HydrophobicContact CB-CH2 3.69Å; M477-W481 HydrophobicContact CB-CZ2 4.14Å; M477-W481 HydrophobicContact CB-CZ3 3.68Å; M477-W481 HydrophobicContact CG-CH2 4.25Å; M477-W481 VanDerWaalsContact O-CD2 3.26Å; M477-W481 PolarHBondContact O-N 3.23Å; M477-W481 HydrophobicContact SD-CH2 3.92Å
478	L	98.5	Very high	96.1	Very high	64 Å²	64	46 Å²	46	34%	0.335	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-40.1	177.5	-70.9	177.1	0	0	0	112.2	Y474 S475 C480 W481 Q482	Y474-L478 HydrophobicContact CD1-CD1 4Å; Y474-L478 HydrophobicContact CD1-CG 4.39Å; Y474-L478 HydrophobicContact CE1-CD1 3.63Å; Y474-L478 HydrophobicContact CE1-CD2 4.35Å; Y474-L478 HydrophobicContact CE1-CG 4.03Å; Y474-L478 HydrophobicContact CE2-CD2 4.38Å; Y474-L478 HydrophobicContact CE2-CG 4.35Å; Y474-L478 PolarHBondContact O-N 3.26Å; S475-L478 PolarHBondContact O-N 3.49Å; L478-C480 VanDerWaalsContact C-N 3.34Å; L478-W481 CarbonylContact O-C 3.49Å; L478-W481 PolarHBondContact O-N 3.09Å; L478-W481 VanDerWaalsContact O-N 3.17Å; L478-Q482 PolarHBondContact O-N 3.24Å
479	D	98.6	Very high	97	Very high	47 Å²	47	45.2 Å²	45.2	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-67.7	-35.6	175.8	-65.7	-27.9	0	0	0	111.8	S475 I476 M477 W481 Q482 R488 P489 R497	S475-D479 VanDerWaalsContact O-CG 3.23Å; S475-D479 PolarHBondContact O-N 2.86Å; I476-D479 PolarHBondContact O-N 3.18Å; M477-D479 VanDerWaalsContact C-N 3.31Å; M477-D479 PolarHBondContact O-N 3.27Å; D479-W481 VanDerWaalsContact C-N 3.26Å; D479-W481 PolarHBondContact O-N 3.43Å; D479-Q482 VanDerWaalsContact O-CG 3.29Å; D479-Q482 WeakPolarHBondContact O-CG 3.16Å; D479-R488 WeakPolarHBondContact O-CA 3.35Å; D479-P489 HydrophobicContact CB-CG 4.24Å; D479-P489 VanDerWaalsContact O-CD 3.26Å; D479-P489 WeakPolarHBondContact O-CD 3.44Å; D479-R497 IonicContact OD2-CZ 3.61Å; D479-R497 IonicContact OD2-NH1 2.76Å; D479-R497 PolarHBondContact OD2-NH1 3.44Å; D479-R497 IonicContact OD2-NH2 3.36Å; D479-R497 PolarHBondContact OD2-NH2 3.07Å
480	C	98.8	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-30.8	171.3	-65.8	0	0	0	0	112.6	V427 I476 M477 L478 R488	V427-C480 HydrophobicContact CG1-CB 4.1Å; V427-C480 WeakPolarHBondContact O-CB 3.47Å; I476-C480 PolarHBondContact O-N 3.14Å; I476-C480 PolarHBondContact O-SG 3.46Å; M477-C480 WeakPolarHBondContact O-CB 3.49Å; M477-C480 PolarHBondContact O-N 3.38Å; M477-C480 VanDerWaalsContact O-N 3.13Å; L478-C480 VanDerWaalsContact C-N 3.34Å; C480-R488 WeakPolarHBondContact O-CD 3.21Å; C480-R488 WeakPolarHBondContact O-CG 3.18Å
481	W	98.6	Very high	97.5	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.015	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	20.3	-176.7	-55.9	-38.8	0	0	0	114.9	W428 G431 V432 F435 R462 M463 M477 L478 D479 A483	W428-W481 AromaticContact CD2-CD1 3.66Å; W428-W481 HydrophobicContact CD2-CG 4.46Å; W428-W481 AromaticContact CE2-CD1 3.8Å; W428-W481 HydrophobicContact CE3-CB 4.15Å; W428-W481 AromaticContact CG-CD1 3.93Å; W428-W481 HydrophobicContact CH2-CB 4.26Å; W428-W481 HydrophobicContact CZ3-CB 3.99Å; W428-W481 WeakPolarHBondContact CZ3-O 3.22Å; W428-W481 PolarHBondContact O-NE1 3.06Å; G431-W481 VanDerWaalsContact O-CZ2 3.24Å; G431-W481 WeakPolarHBondContact O-CZ2 3.46Å; V432-W481 HydrophobicContact CG2-CZ2 4.25Å; F435-W481 HydrophobicContact CB-CH2 4.42Å; R462-W481 HydrophobicContact CB-CE3 4.35Å; R462-W481 PolarHBondContact NE-O 3.12Å; R462-W481 PolarHBondContact NH2-O 3.1Å; M463-W481 HydrophobicContact CB-CH2 4.22Å; M463-W481 HydrophobicContact CB-CZ3 4.31Å; M463-W481 HydrophobicContact CE-CH2 3.52Å; M463-W481 HydrophobicContact CE-CZ2 3.37Å; M463-W481 HydrophobicContact CE-CZ3 4.47Å; M477-W481 HydrophobicContact CB-CE3 4.11Å; M477-W481 HydrophobicContact CB-CH2 3.69Å; M477-W481 HydrophobicContact CB-CZ2 4.14Å; M477-W481 HydrophobicContact CB-CZ3 3.68Å; M477-W481 HydrophobicContact CG-CH2 4.25Å; M477-W481 VanDerWaalsContact O-CD2 3.26Å; M477-W481 PolarHBondContact O-N 3.23Å; M477-W481 HydrophobicContact SD-CH2 3.92Å; L478-W481 CarbonylContact O-C 3.49Å; L478-W481 PolarHBondContact O-N 3.09Å; L478-W481 VanDerWaalsContact O-N 3.17Å; D479-W481 VanDerWaalsContact C-N 3.26Å; D479-W481 PolarHBondContact O-N 3.43Å; W481-A483 PolarHBondContact O-N 3.04Å
482	Q	98.3	Very high	97.7	Very high	69 Å²	69	43.9 Å²	43.9	32%	0.322	24%	0.242	S	C	.	.			trans	-56.2	132.8	169.2	-66.7	-65.5	-33.5	0	0	110.1	L478 D479 E484 K487 R488	L478-Q482 PolarHBondContact O-N 3.24Å; D479-Q482 VanDerWaalsContact O-CG 3.29Å; D479-Q482 WeakPolarHBondContact O-CG 3.16Å; Q482-E484 VanDerWaalsContact C-N 3.3Å; Q482-E484 PolarHBondContact O-N 3.08Å; Q482-K487 HydrophobicContact CB-CB 3.97Å; Q482-K487 HydrophobicContact CG-CB 4.2Å; Q482-R488 HydrophobicContact CB-CG 3.91Å; Q482-R488 PolarHBondContact O-NE 2.75Å; Q482-R488 PolarHBondContact O-NH2 3.04Å
483	A	96	Very high	97.9	Very high	60 Å²	60	44.7 Å²	44.7	50%	0.496	24%	0.243	S	C	.	.	S	Bend	trans	-59.7	-43.2	-177.1	0	0	0	0	0	111.7	W481 P485 R488	W481-A483 PolarHBondContact O-N 3.04Å; A483-P485 WeakPolarHBondContact O-CD 3.24Å; A483-R488 PolarHBondContact O-NH2 3.42Å
484	E	96.1	Very high	98	Very high	95 Å²	95	44.7 Å²	44.7	44%	0.444	24%	0.243	S	C	.	.	S	Bend	trans	-81.9	118.1	176.6	174	53.2	-131.3	0	0	110.5	Q482 S486 K487	Q482-E484 VanDerWaalsContact C-N 3.3Å; Q482-E484 PolarHBondContact O-N 3.08Å; E484-S486 WeakPolarHBondContact CG-OG 3.43Å; E484-S486 PolarHBondContact O-N 2.89Å; E484-S486 PolarHBondContact OE1-N 3.48Å; E484-S486 PolarHBondContact OE1-OG 3.33Å; E484-K487 HydrophobicContact CB-CB 4.48Å; E484-K487 HydrophobicContact CB-CD 4.09Å; E484-K487 HydrophobicContact CB-CG 4.08Å; E484-K487 HydrophobicContact CG-CD 4.39Å; E484-K487 HydrophobicContact CG-CG 3.98Å; E484-K487 PolarHBondContact O-N 3.48Å
485	P	96.7	Very high	98	Very high	30 Å²	30	45 Å²	45	20%	0.195	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-57.8	-33.3	-176.4	-26.5	35.1	0	0	0	114	E414 K424 A483 K487 R488	E414-P485 HydrophobicContact CG-CG 4.1Å; K424-P485 HydrophobicContact CB-CB 3.94Å; K424-P485 WeakPolarHBondContact CD-O 3.19Å; A483-P485 WeakPolarHBondContact O-CD 3.24Å; P485-K487 PolarHBondContact O-N 3.42Å; P485-R488 PolarHBondContact O-N 3.15Å
486	S	96.6	Very high	98	Very high	90 Å²	90	45.7 Å²	45.7	63%	0.629	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-67.9	-19	179.1	58.9	0	0	0	0	114.1	E484	E484-S486 WeakPolarHBondContact CG-OG 3.43Å; E484-S486 PolarHBondContact O-N 2.89Å; E484-S486 PolarHBondContact OE1-N 3.48Å; E484-S486 PolarHBondContact OE1-OG 3.33Å
487	K	98.2	Very high	98	Very high	148 Å²	148	48.8 Å²	48.8	64%	0.643	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-87.4	-14	176.3	-66	-174	-177.9	179.2	0	113.9	Q482 E484 P485	Q482-K487 HydrophobicContact CB-CB 3.97Å; Q482-K487 HydrophobicContact CG-CB 4.2Å; E484-K487 HydrophobicContact CB-CB 4.48Å; E484-K487 HydrophobicContact CB-CD 4.09Å; E484-K487 HydrophobicContact CB-CG 4.08Å; E484-K487 HydrophobicContact CG-CD 4.39Å; E484-K487 HydrophobicContact CG-CG 3.98Å; E484-K487 PolarHBondContact O-N 3.48Å; P485-K487 PolarHBondContact O-N 3.42Å
488	R	98.6	Very high	98	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.015	25%	0.253	C	S	.	.	S	Bend	trans	-70.7	146.1	176.5	-58.6	173.7	-165.2	154	11	109.1	E414 K424 V427 D479 C480 Q482 A483 P485	E414-R488 IonicContact OE1-CZ 2.58Å; E414-R488 IonicContact OE1-NH1 2.73Å; E414-R488 PolarHBondContact OE1-NH1 3.39Å; E414-R488 IonicContact OE1-NH2 3.56Å; E414-R488 PolarHBondContact OE1-NH2 3.21Å; E414-R488 IonicContact OE2-CZ 3.33Å; E414-R488 IonicContact OE2-NH1 3.47Å; E414-R488 IonicContact OE2-NH2 2.79Å; E414-R488 PolarHBondContact OE2-NH2 3.35Å; K424-R488 HydrophobicContact CD-CB 4.26Å; K424-R488 PolarHBondContact NZ-O 2.77Å; K424-R488 WeakPolarHBondContact O-CD 3.4Å; K424-R488 PolarHBondContact O-NH1 2.78Å; V427-R488 HydrophobicContact CG1-CB 3.95Å; D479-R488 WeakPolarHBondContact O-CA 3.35Å; C480-R488 WeakPolarHBondContact O-CD 3.21Å; C480-R488 WeakPolarHBondContact O-CG 3.18Å; Q482-R488 HydrophobicContact CB-CG 3.91Å; Q482-R488 PolarHBondContact O-NE 2.75Å; Q482-R488 PolarHBondContact O-NH2 3.04Å; A483-R488 PolarHBondContact O-NH2 3.42Å; P485-R488 PolarHBondContact O-N 3.15Å
489	P	98.5	Very high	97.9	Very high	7 Å²	7	50.1 Å²	50.1	5%	0.045	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-63.3	164.4	174.3	27.8	-34.2	0	0	0	110.6	K424 V427 D479 E493 I494	K424-P489 PolarHBondContact NZ-O 2.86Å; V427-P489 HydrophobicContact CG1-CG 4.45Å; D479-P489 HydrophobicContact CB-CG 4.24Å; D479-P489 VanDerWaalsContact O-CD 3.26Å; D479-P489 WeakPolarHBondContact O-CD 3.44Å; P489-E493 HydrophobicContact CB-CB 4.12Å; P489-E493 HydrophobicContact CB-CG 4.19Å; P489-E493 WeakPolarHBondContact CB-OE2 3.42Å; P489-I494 HydrophobicContact CB-CG1 3.99Å; P489-I494 HydrophobicContact CG-CD1 3.97Å; P489-I494 HydrophobicContact CG-CG1 3.7Å
490	D	98.2	Very high	97.7	Very high	74 Å²	74	48.8 Å²	48.8	40%	0.396	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-90.5	170.1	163.8	63.8	34.3	0	0	0	110.8	T492 E493 I494	D490-T492 PolarHBondContact O-N 3.28Å; D490-T492 WeakPolarHBondContact OD1-CA 3.41Å; D490-T492 VanDerWaalsContact OD1-CB 3.3Å; D490-T492 WeakPolarHBondContact OD1-CB 3.31Å; D490-T492 PolarHBondContact OD1-N 3.03Å; D490-E493 PolarHBondContact O-N 3.47Å; D490-E493 PolarHBondContact OD1-N 2.78Å; D490-I494 VanDerWaalsContact O-CG1 3.32Å; D490-I494 WeakPolarHBondContact O-CG1 2.91Å; D490-I494 PolarHBondContact O-N 3.38Å; D490-I494 VanDerWaalsContact O-N 3.07Å
491	F	98.4	Very high	97.5	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-22.6	-179.5	-73.9	-63.8	0	0	0	113.2	L356 E357 D426 V427 F430 I494 R495	L356-F491 HydrophobicContact CB-CD1 3.69Å; L356-F491 HydrophobicContact CB-CD2 3.89Å; L356-F491 HydrophobicContact CB-CE1 3.56Å; L356-F491 HydrophobicContact CB-CE2 3.76Å; L356-F491 HydrophobicContact CB-CG 3.87Å; L356-F491 HydrophobicContact CB-CZ 3.6Å; L356-F491 HydrophobicContact CD1-CD1 4.26Å; L356-F491 HydrophobicContact CD1-CE1 3.44Å; L356-F491 VanDerWaalsContact CD1-CE1 3.44Å; L356-F491 HydrophobicContact CD1-CZ 3.62Å; L356-F491 HydrophobicContact CG-CE1 4.12Å; L356-F491 HydrophobicContact CG-CZ 4.11Å; E357-F491 HydrophobicContact CB-CB 3.76Å; E357-F491 HydrophobicContact CG-CB 4.41Å; D426-F491 HydrophobicContact CB-CE2 4.12Å; D426-F491 HydrophobicContact CB-CZ 4.01Å; V427-F491 HydrophobicContact CB-CZ 4.41Å; V427-F491 HydrophobicContact CG2-CD1 4.37Å; V427-F491 HydrophobicContact CG2-CD2 4.14Å; V427-F491 HydrophobicContact CG2-CE1 4.02Å; V427-F491 HydrophobicContact CG2-CE2 3.78Å; V427-F491 HydrophobicContact CG2-CG 4.42Å; V427-F491 HydrophobicContact CG2-CZ 3.7Å; F430-F491 HydrophobicContact CB-CE1 3.82Å; F430-F491 HydrophobicContact CB-CZ 4.32Å; F430-F491 HydrophobicContact CD1-CE1 4.38Å; F430-F491 HydrophobicContact CD2-CE1 4.3Å; F430-F491 AromaticContact CG-CE1 3.91Å; F430-F491 HydrophobicContact CG-CE1 3.91Å; F491-I494 HydrophobicContact CD1-CD1 4.03Å; F491-I494 HydrophobicContact CE1-CD1 4.35Å; F491-R495 WeakPolarHBondContact O-CB 3.34Å; F491-R495 PolarHBondContact O-N 3.42Å
492	T	98.1	Very high	97.2	Very high	56 Å²	56	51 Å²	51	34%	0.344	26%	0.263	S	S	.	.	H	α-helix	trans	-67.2	-50.5	174.2	-58.8	0	0	0	0	110	E357 D490 I494 R495 E496	E357-T492 VanDerWaalsContact OE1-CA 3.26Å; E357-T492 WeakPolarHBondContact OE1-CA 3.29Å; E357-T492 VanDerWaalsContact OE1-CB 3.23Å; E357-T492 WeakPolarHBondContact OE1-CB 3.29Å; E357-T492 WeakPolarHBondContact OE1-CG2 3.47Å; E357-T492 PolarHBondContact OE1-OG1 3.31Å; D490-T492 PolarHBondContact O-N 3.28Å; D490-T492 WeakPolarHBondContact OD1-CA 3.41Å; D490-T492 VanDerWaalsContact OD1-CB 3.3Å; D490-T492 WeakPolarHBondContact OD1-CB 3.31Å; D490-T492 PolarHBondContact OD1-N 3.03Å; T492-I494 PolarHBondContact O-N 3.06Å; T492-R495 PolarHBondContact O-N 3.09Å; T492-E496 VanDerWaalsContact O-CG 3.27Å; T492-E496 WeakPolarHBondContact O-CG 3.41Å; T492-E496 PolarHBondContact O-N 3.05Å
493	E	98.4	Very high	96.9	Very high	95 Å²	95	54.3 Å²	54.3	44%	0.444	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-45.6	176.4	-173.3	-175	160.4	0	0	112	P489 D490 R495 E496 R497	P489-E493 HydrophobicContact CB-CB 4.12Å; P489-E493 HydrophobicContact CB-CG 4.19Å; P489-E493 WeakPolarHBondContact CB-OE2 3.42Å; D490-E493 PolarHBondContact O-N 3.47Å; D490-E493 PolarHBondContact OD1-N 2.78Å; E493-R495 PolarHBondContact O-N 3.22Å; E493-E496 PolarHBondContact O-N 2.94Å; E493-R497 WeakPolarHBondContact O-CG 3.12Å; E493-R497 PolarHBondContact O-N 2.86Å
494	I	98.6	Very high	96.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-48.3	176.6	-67.4	168.1	0	0	0	111	V427 F430 I476 P489 D490 F491 T492 E496 R497 L498	V427-I494 HydrophobicContact CG1-CD1 3.91Å; V427-I494 HydrophobicContact CG2-CD1 4.26Å; F430-I494 HydrophobicContact CD1-CD1 4.2Å; F430-I494 HydrophobicContact CD1-CG2 4.07Å; F430-I494 HydrophobicContact CE1-CG2 3.35Å; F430-I494 HydrophobicContact CZ-CG2 3.99Å; I476-I494 HydrophobicContact CG2-CG2 4.34Å; P489-I494 HydrophobicContact CB-CG1 3.99Å; P489-I494 HydrophobicContact CG-CD1 3.97Å; P489-I494 HydrophobicContact CG-CG1 3.7Å; D490-I494 VanDerWaalsContact O-CG1 3.32Å; D490-I494 WeakPolarHBondContact O-CG1 2.91Å; D490-I494 PolarHBondContact O-N 3.38Å; D490-I494 VanDerWaalsContact O-N 3.07Å; F491-I494 HydrophobicContact CD1-CD1 4.03Å; F491-I494 HydrophobicContact CE1-CD1 4.35Å; T492-I494 PolarHBondContact O-N 3.06Å; I494-E496 VanDerWaalsContact C-N 3.31Å; I494-E496 PolarHBondContact O-N 3.11Å; I494-R497 PolarHBondContact O-N 3.38Å; I494-L498 HydrophobicContact CG2-CD1 3.73Å; I494-L498 HydrophobicContact CG2-CG 4.39Å; I494-L498 WeakPolarHBondContact O-CG 3.5Å; I494-L498 PolarHBondContact O-N 3.17Å
495	R	98.2	Very high	95.9	Very high	47 Å²	47	55.1 Å²	55.1	18%	0.177	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-43.4	179.8	-179.2	178.2	64.6	68.6	12.2	111.5	W350 S353 V354 E357 F491 T492 E493 R499	W350-R495 VanDerWaalsContact CD1-O 3.27Å; W350-R495 PolarHBondContact NE1-O 2.82Å; S353-R495 WeakPolarHBondContact OG-CA 3.04Å; S353-R495 WeakPolarHBondContact OG-CB 3.34Å; V354-R495 HydrophobicContact CG2-CG 4.16Å; E357-R495 IonicContact OE1-CZ 3.76Å; E357-R495 IonicContact OE1-NE 2.86Å; E357-R495 PolarHBondContact OE1-NE 2.93Å; E357-R495 IonicContact OE1-NH2 2.77Å; E357-R495 WeakPolarHBondContact OE2-CD 3.47Å; E357-R495 IonicContact OE2-CZ 3.46Å; E357-R495 IonicContact OE2-NE 3.41Å; E357-R495 PolarHBondContact OE2-NE 3.17Å; E357-R495 IonicContact OE2-NH2 3.31Å; F491-R495 WeakPolarHBondContact O-CB 3.34Å; F491-R495 PolarHBondContact O-N 3.42Å; T492-R495 PolarHBondContact O-N 3.09Å; E493-R495 PolarHBondContact O-N 3.22Å; R495-R499 WeakPolarHBondContact O-CB 3.3Å; R495-R499 PolarHBondContact O-N 2.96Å
496	E	98.2	Very high	94.5	Very high	64 Å²	64	57.3 Å²	57.3	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-68.3	-39	179.6	-64.1	-67.8	124.8	0	0	111.8	T492 E493 I494 R499 G500	T492-E496 VanDerWaalsContact O-CG 3.27Å; T492-E496 WeakPolarHBondContact O-CG 3.41Å; T492-E496 PolarHBondContact O-N 3.05Å; E493-E496 PolarHBondContact O-N 2.94Å; I494-E496 VanDerWaalsContact C-N 3.31Å; I494-E496 PolarHBondContact O-N 3.11Å; E496-R499 PolarHBondContact O-N 3.27Å; E496-R499 IonicContact OE1-CZ 3.77Å; E496-R499 IonicContact OE1-NH1 3.09Å; E496-R499 PolarHBondContact OE1-NH1 3.25Å; E496-R499 IonicContact OE2-CZ 3.76Å; E496-R499 IonicContact OE2-NH1 2.82Å; E496-R499 PolarHBondContact OE2-NH1 3.09Å; E496-R499 IonicContact OE2-NH2 3.63Å; E496-R499 PolarHBondContact OE2-NH2 2.83Å; E496-G500 PolarHBondContact O-N 2.92Å
497	R	98	Very high	92.7	Very high	67 Å²	67	61 Å²	61	25%	0.253	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-45.6	174.4	-71.5	176.4	67.1	176.9	-0.4	112.2	S475 I476 D479 E493 I494 R499 G500 M501	S475-R497 PolarHBondContact OG-NH2 3.15Å; I476-R497 HydrophobicContact CD1-CB 3.95Å; I476-R497 HydrophobicContact CG1-CB 4.33Å; I476-R497 VanDerWaalsContact CG1-CZ 3.5Å; D479-R497 IonicContact OD2-CZ 3.61Å; D479-R497 IonicContact OD2-NH1 2.76Å; D479-R497 PolarHBondContact OD2-NH1 3.44Å; D479-R497 IonicContact OD2-NH2 3.36Å; D479-R497 PolarHBondContact OD2-NH2 3.07Å; E493-R497 WeakPolarHBondContact O-CG 3.12Å; E493-R497 PolarHBondContact O-N 2.86Å; I494-R497 PolarHBondContact O-N 3.38Å; R497-R499 VanDerWaalsContact C-N 3.32Å; R497-R499 PolarHBondContact O-N 3.18Å; R497-G500 PolarHBondContact O-N 3.1Å; R497-M501 WeakPolarHBondContact O-CG 3.44Å; R497-M501 PolarHBondContact O-N 3.08Å
498	L	97.6	Very high	90.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-35.9	176.3	-70.2	169.1	0	0	0	112	V346 W350 F430 I476 I494 M501 L502	V346-L498 HydrophobicContact CG1-CD2 4.33Å; W350-L498 HydrophobicContact CB-CB 4.04Å; W350-L498 HydrophobicContact CG-CB 4.47Å; F430-L498 HydrophobicContact CE1-CD1 4.22Å; F430-L498 HydrophobicContact CZ-CD1 3.89Å; I476-L498 HydrophobicContact CD1-CD2 3.81Å; I476-L498 HydrophobicContact CD1-CG 4.09Å; I494-L498 HydrophobicContact CG2-CD1 3.73Å; I494-L498 HydrophobicContact CG2-CG 4.39Å; I494-L498 WeakPolarHBondContact O-CG 3.5Å; I494-L498 PolarHBondContact O-N 3.17Å; L498-M501 HydrophobicContact CD2-SD 4.19Å; L498-M501 WeakPolarHBondContact O-CB 3.49Å; L498-M501 PolarHBondContact O-N 3.17Å; L498-L502 PolarHBondContact O-N 3Å
499	R	96.4	Very high	88.3	Confident	91 Å²	91	67.8 Å²	67.8	34%	0.343	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-46.5	171.9	-167.4	-174.4	71.2	-133.6	-13.5	111	R495 E496 R497 M501 L502 E503	R495-R499 WeakPolarHBondContact O-CB 3.3Å; R495-R499 PolarHBondContact O-N 2.96Å; E496-R499 PolarHBondContact O-N 3.27Å; E496-R499 IonicContact OE1-CZ 3.77Å; E496-R499 IonicContact OE1-NH1 3.09Å; E496-R499 PolarHBondContact OE1-NH1 3.25Å; E496-R499 IonicContact OE2-CZ 3.76Å; E496-R499 IonicContact OE2-NH1 2.82Å; E496-R499 PolarHBondContact OE2-NH1 3.09Å; E496-R499 IonicContact OE2-NH2 3.63Å; E496-R499 PolarHBondContact OE2-NH2 2.83Å; R497-R499 VanDerWaalsContact C-N 3.32Å; R497-R499 PolarHBondContact O-N 3.18Å; R499-M501 PolarHBondContact O-N 2.96Å; R499-L502 WeakPolarHBondContact O-CB 3.31Å; R499-L502 PolarHBondContact O-N 2.93Å; R499-E503 WeakPolarHBondContact CG-OE1 3.29Å; R499-E503 IonicContact NE-OE1 3.55Å; R499-E503 PolarHBondContact NE-OE1 3.38Å; R499-E503 VanDerWaalsContact NE-OE1 3.16Å; R499-E503 WeakPolarHBondContact O-CG 3.38Å; R499-E503 PolarHBondContact O-N 3.42Å
500	G	95.7	Very high	86.1	Confident	20 Å²	20	69 Å²	69	21%	0.206	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-33.1	175.9	0	0	0	0	0	113.1	E496 R497 K504	E496-G500 PolarHBondContact O-N 2.92Å; R497-G500 PolarHBondContact O-N 3.1Å; G500-K504 VanDerWaalsContact O-CG 3.29Å; G500-K504 WeakPolarHBondContact O-CG 3.41Å; G500-K504 PolarHBondContact O-N 2.91Å
501	M	94.4	Very high	84.1	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-46.9	170.6	-68.9	179.8	71.2	0	0	111.8	V346 D472 M473 I476 R497 L498 R499 E503 K504 I505	V346-M501 HydrophobicContact CG1-CB 3.86Å; V346-M501 HydrophobicContact CG2-CE 4.14Å; D472-M501 HydrophobicContact CB-CE 3.87Å; D472-M501 HydrophobicContact CB-CG 4.11Å; D472-M501 HydrophobicContact CB-SD 3.97Å; M473-M501 HydrophobicContact CB-CE 3.63Å; M473-M501 HydrophobicContact CB-SD 4.29Å; M473-M501 HydrophobicContact CG-CE 4.47Å; I476-M501 HydrophobicContact CD1-SD 3.81Å; R497-M501 WeakPolarHBondContact O-CG 3.44Å; R497-M501 PolarHBondContact O-N 3.08Å; L498-M501 HydrophobicContact CD2-SD 4.19Å; L498-M501 WeakPolarHBondContact O-CB 3.49Å; L498-M501 PolarHBondContact O-N 3.17Å; R499-M501 PolarHBondContact O-N 2.96Å; M501-E503 VanDerWaalsContact C-N 3.26Å; M501-E503 PolarHBondContact O-N 3.07Å; M501-K504 PolarHBondContact O-N 2.95Å; M501-I505 VanDerWaalsContact O-CG1 3.29Å; M501-I505 WeakPolarHBondContact O-CG1 3.3Å; M501-I505 PolarHBondContact O-N 2.83Å; M501-I505 VanDerWaalsContact O-N 3.09Å
502	L	92.5	Very high	81.9	Confident	39 Å²	39	70.5 Å²	70.5	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-38.1	177.9	-75.7	170.4	0	0	0	113.1	K343 V346 W350 L498 R499 K504	K343-L502 HydrophobicContact CG-CD2 4.48Å; V346-L502 HydrophobicContact CB-CD2 4.01Å; V346-L502 HydrophobicContact CB-CG 4.48Å; V346-L502 HydrophobicContact CG1-CD2 3.87Å; V346-L502 HydrophobicContact CG1-CG 3.78Å; W350-L502 HydrophobicContact CB-CD1 3.7Å; W350-L502 HydrophobicContact CD2-CD1 4.12Å; W350-L502 HydrophobicContact CE3-CD1 4.47Å; W350-L502 HydrophobicContact CG-CD1 3.77Å; L498-L502 PolarHBondContact O-N 3Å; R499-L502 WeakPolarHBondContact O-CB 3.31Å; R499-L502 PolarHBondContact O-N 2.93Å; L502-K504 VanDerWaalsContact C-N 3.29Å; L502-K504 PolarHBondContact O-N 3.09Å
503	E	90.7	Very high	79.7	Confident	138 Å²	138	69.4 Å²	69.4	65%	0.645	35%	0.347	S	S	*	.	H	α-helix	trans	-68.5	-27.2	177.8	-70.1	167.3	-168.9	0	0	112.7	R499 M501	R499-E503 WeakPolarHBondContact CG-OE1 3.29Å; R499-E503 IonicContact NE-OE1 3.55Å; R499-E503 PolarHBondContact NE-OE1 3.38Å; R499-E503 VanDerWaalsContact NE-OE1 3.16Å; R499-E503 WeakPolarHBondContact O-CG 3.38Å; R499-E503 PolarHBondContact O-N 3.42Å; M501-E503 VanDerWaalsContact C-N 3.26Å; M501-E503 PolarHBondContact O-N 3.07Å
504	K	87.6	Confident	77.8	Confident	146 Å²	146	65.4 Å²	65.4	64%	0.635	33%	0.329	S	S	*	.	H	α-helix	trans	-90	-24.6	-179.1	-69.5	172.9	-172.3	177.6	0	114.1	D472 G500 M501 L502 T506	D472-K504 IonicContact OD2-NZ 2.78Å; G500-K504 VanDerWaalsContact O-CG 3.29Å; G500-K504 WeakPolarHBondContact O-CG 3.41Å; G500-K504 PolarHBondContact O-N 2.91Å; M501-K504 PolarHBondContact O-N 2.95Å; L502-K504 VanDerWaalsContact C-N 3.29Å; L502-K504 PolarHBondContact O-N 3.09Å; K504-T506 PolarHBondContact O-N 3.23Å; K504-T506 VanDerWaalsContact O-N 3.08Å
505	I	83.4	Confident	75.8	Confident	26 Å²	26	67.9 Å²	67.9	13%	0.133	35%	0.346	C	S	.	.			trans	-66.4	110.2	-176.9	-70.1	161.6	0	0	0	109	L342 K343 V346 M501	L342-I505 HydrophobicContact CD2-CD1 4.46Å; L342-I505 HydrophobicContact CD2-CG1 4.46Å; L342-I505 HydrophobicContact CG-CD1 4.23Å; K343-I505 HydrophobicContact CB-CG2 3.9Å; K343-I505 HydrophobicContact CG-CG2 4.35Å; V346-I505 HydrophobicContact CB-CD1 3.9Å; V346-I505 HydrophobicContact CG1-CD1 4.2Å; V346-I505 HydrophobicContact CG2-CD1 3.76Å; M501-I505 VanDerWaalsContact O-CG1 3.29Å; M501-I505 WeakPolarHBondContact O-CG1 3.3Å; M501-I505 PolarHBondContact O-N 2.83Å; M501-I505 VanDerWaalsContact O-N 3.09Å
506	T	68.2	Low	74	Confident	76 Å²	76	70.6 Å²	70.6	47%	0.466	36%	0.361	S	S	.	.			trans	-72.3	151.6	166.8	56.8	0	0	0	0	109.4	K504 D508 Y509	K504-T506 PolarHBondContact O-N 3.23Å; K504-T506 VanDerWaalsContact O-N 3.08Å; T506-D508 PolarHBondContact O-N 3.36Å; T506-Y509 PolarHBondContact O-N 3.21Å
507	E	57.8	Low	72.2	Confident	168 Å²	168	72 Å²	72	79%	0.785	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.4	179.8	-65.7	-177.8	164	0	0	112.4	K343 Y509	K343-E507 IonicContact NZ-OE1 2.88Å; E507-Y509 VanDerWaalsContact C-N 3.3Å; E507-Y509 PolarHBondContact O-N 2.88Å
508	D	50.8	Low	71	Confident	145 Å²	145	74.1 Å²	74.1	78%	0.775	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.7	-179.9	-53.9	-33.7	0	0	0	115	T506 G510	T506-D508 PolarHBondContact O-N 3.36Å; D508-G510 PolarHBondContact O-N 2.94Å
509	Y	53.7	Low	69.8	Low	149 Å²	149	79.3 Å²	79.3	58%	0.584	41%	0.413	S	S	*	.			trans	-76	73.4	173.3	-98.7	-89.5	0	0	0	110.7	L342 T506 E507	L342-Y509 HydrophobicContact CD2-CD1 4.05Å; L342-Y509 HydrophobicContact CD2-CG 4.42Å; T506-Y509 PolarHBondContact O-N 3.21Å; E507-Y509 VanDerWaalsContact C-N 3.3Å; E507-Y509 PolarHBondContact O-N 2.88Å
510	G	53.2	Low	68.8	Low	31 Å²	31	76 Å²	76	32%	0.32	40%	0.401	S	S	.	.			trans	-59.5	133.7	168.1	0	0	0	0	0	110.3	D508 T512	D508-G510 PolarHBondContact O-N 2.94Å; G510-T512 VanDerWaalsContact C-N 3.28Å; G510-T512 PolarHBondContact O-N 3.49Å
511	Y	56.6	Low	67.8	Low	23 Å²	23	76.1 Å²	76.1	9%	0.09	40%	0.396	C	S	.	.			trans	-75.5	85.1	171.9	-172.1	-90.8	0	0	0	108	M315 L345 I438 L440 N468 L514	M315-Y511 HydrophobicContact CE-CD1 3.97Å; L345-Y511 HydrophobicContact CD1-CD2 3.8Å; L345-Y511 HydrophobicContact CD1-CE2 3.6Å; I438-Y511 HydrophobicContact CD1-CE2 4.2Å; I438-Y511 PolarHBondContact O-OH 2.89Å; L440-Y511 HydrophobicContact CD1-CE1 3.91Å; L440-Y511 HydrophobicContact CG-CE1 4.25Å; N468-Y511 HydrophobicContact CB-CD2 4.14Å; N468-Y511 HydrophobicContact CB-CE1 4.29Å; N468-Y511 HydrophobicContact CB-CE2 3.43Å; N468-Y511 VanDerWaalsContact CB-CE2 3.43Å; N468-Y511 PolarHBondContact ND2-OH 3.19Å; Y511-L514 HydrophobicContact CD1-CG 4.46Å; Y511-L514 HydrophobicContact CE1-CD1 4.48Å; Y511-L514 HydrophobicContact CE1-CD2 3.67Å; Y511-L514 HydrophobicContact CE1-CG 3.89Å
512	T	51	Low	66.3	Low	88 Å²	88	80.9 Å²	80.9	54%	0.54	42%	0.421	S	S	.	.			trans	-101.8	130.1	-177.3	50.3	0	0	0	0	110.5	N468 G510	N468-T512 PolarHBondContact OD1-O 3Å; G510-T512 VanDerWaalsContact C-N 3.28Å; G510-T512 PolarHBondContact O-N 3.49Å
513	G	52.4	Low	64.7	Low	32 Å²	32	80.7 Å²	80.7	33%	0.33	42%	0.421	S	S	.	.			trans	113.4	47.7	171.8	0	0	0	0	0	116.2	N468 S515	N468-G513 PolarHBondContact ND2-O 3.16Å; N468-G513 PolarHBondContact OD1-O 3.06Å; N468-G513 VanDerWaalsContact OD1-O 3.11Å; G513-S515 PolarHBondContact O-N 3.09Å
514	L	58.5	Low	62.3	Low	11 Å²	11	81.8 Å²	81.8	6%	0.058	43%	0.43	C	S	.	.			trans	-72	74.2	169.3	-78.5	173.1	0	0	0	110.8	R312 M315 V316 L440 Y511 Q516 Y521	R312-L514 HydrophobicContact CG-CD1 4.36Å; R312-L514 HydrophobicContact CG-CD2 4.26Å; M315-L514 HydrophobicContact CB-CD1 3.76Å; M315-L514 HydrophobicContact CE-CD1 4.18Å; V316-L514 HydrophobicContact CG2-CB 4.21Å; V316-L514 HydrophobicContact CG2-CD1 4.14Å; L440-L514 HydrophobicContact CD1-CD1 4.09Å; L440-L514 HydrophobicContact CD1-CD2 3.97Å; Y511-L514 HydrophobicContact CD1-CG 4.46Å; Y511-L514 HydrophobicContact CE1-CD1 4.48Å; Y511-L514 HydrophobicContact CE1-CD2 3.67Å; Y511-L514 HydrophobicContact CE1-CG 3.89Å; L514-Q516 PolarHBondContact O-N 3.13Å; L514-Y521 HydrophobicContact CD2-CE1 4.43Å; L514-Y521 WeakPolarHBondContact CD2-OH 3.35Å
515	S	57.7	Low	59.7	Low	52 Å²	52	79.7 Å²	79.7	36%	0.364	43%	0.426	S	S	.	.			trans	-72	96.9	175.3	-170.3	0	0	0	0	110.2	G513 S517 R518 Y521	G513-S515 PolarHBondContact O-N 3.09Å; S515-S517 PolarHBondContact O-N 3.25Å; S515-S517 PolarHBondContact OG-OG 3.1Å; S515-S517 VanDerWaalsContact OG-OG 3.07Å; S515-R518 WeakPolarHBondContact O-CG 3.49Å; S515-R518 PolarHBondContact O-N 3.16Å; S515-Y521 VanDerWaalsContact O-CD2 3.31Å; S515-Y521 WeakPolarHBondContact O-CD2 3.29Å; S515-Y521 WeakPolarHBondContact O-CE2 3.33Å
516	Q	60.5	Low	57.2	Low	105 Å²	105	82.2 Å²	82.2	49%	0.491	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.4	-179.4	-69.6	-172.9	62.6	0	0	114.5	V316 E320 L514 R518	V316-Q516 VanDerWaalsContact CG1-CD 3.47Å; V316-Q516 HydrophobicContact CG1-CG 4.2Å; V316-Q516 HydrophobicContact CG2-CG 3.95Å; E320-Q516 PolarHBondContact OE1-NE2 3.32Å; L514-Q516 PolarHBondContact O-N 3.13Å; Q516-R518 PolarHBondContact O-N 3.34Å
517	S	59.5	Low	55.5	Low	92 Å²	92	83.5 Å²	83.5	64%	0.643	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-3.5	-178.5	59.8	0	0	0	0	114.5	S515	S515-S517 PolarHBondContact O-N 3.25Å; S515-S517 PolarHBondContact OG-OG 3.1Å; S515-S517 VanDerWaalsContact OG-OG 3.07Å
518	R	73.3	Confident	54.1	Low	112 Å²	112	83.5 Å²	83.5	42%	0.423	46%	0.455	S	S	.	.	S	Bend	trans	-81.4	138	-177.1	-59.7	-69.5	-176.7	163.1	2.2	112.3	V467 S515 Q516 Y520 Y521	V467-R518 HydrophobicContact CG2-CG 4.46Å; V467-R518 VanDerWaalsContact CG2-CZ 3.43Å; V467-R518 VanDerWaalsContact CG2-NH2 3.28Å; S515-R518 WeakPolarHBondContact O-CG 3.49Å; S515-R518 PolarHBondContact O-N 3.16Å; Q516-R518 PolarHBondContact O-N 3.34Å; R518-Y520 HydrophobicContact CB-CD1 3.93Å; R518-Y520 HydrophobicContact CB-CD2 4.5Å; R518-Y520 HydrophobicContact CB-CE1 3.44Å; R518-Y520 VanDerWaalsContact CB-CE1 3.44Å; R518-Y520 HydrophobicContact CB-CE2 4.1Å; R518-Y520 HydrophobicContact CB-CG 4.43Å; R518-Y520 HydrophobicContact CG-CE1 3.94Å; R518-Y520 PolarHBondContact O-N 3.47Å; R518-Y520 VanDerWaalsContact O-N 3.11Å; R518-Y521 HydrophobicContact CB-CD2 3.77Å; R518-Y521 HydrophobicContact CB-CE2 4.01Å; R518-Y521 HydrophobicContact CG-CE2 4.36Å; R518-Y521 WeakPolarHBondContact O-CB 3.41Å; R518-Y521 PolarHBondContact O-N 3.41Å
519	D	71.9	Confident	53	Low	110 Å²	110	80 Å²	80	59%	0.588	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-59.6	-30.1	-172.9	-63.1	-34.5	0	0	0	114.3	P446 Y521 N522	P446-D519 HydrophobicContact CB-CB 3.85Å; P446-D519 HydrophobicContact CG-CB 3.93Å; D519-Y521 PolarHBondContact O-N 2.96Å; D519-N522 WeakPolarHBondContact O-CB 3.48Å; D519-N522 PolarHBondContact O-N 3.17Å; D519-N522 VanDerWaalsContact O-N 3.1Å
520	Y	75.3	Confident	51.7	Low	22 Å²	22	82.9 Å²	82.9	9%	0.086	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-68.9	-14.6	176.8	54.8	-100.6	0	0	0	113.6	F435 T439 G442 S443 R518	F435-Y520 HydrophobicContact CZ-CD1 4.3Å; F435-Y520 HydrophobicContact CZ-CG 4.17Å; T439-Y520 HydrophobicContact CG2-CD2 3.74Å; T439-Y520 HydrophobicContact CG2-CE2 3.65Å; T439-Y520 HydrophobicContact CG2-CG 4.33Å; G442-Y520 CarbonylContact C-O 3.59Å; G442-Y520 WeakPolarHBondContact CA-O 3.29Å; S443-Y520 PolarHBondContact N-O 3.3Å; R518-Y520 HydrophobicContact CB-CD1 3.93Å; R518-Y520 HydrophobicContact CB-CD2 4.5Å; R518-Y520 HydrophobicContact CB-CE1 3.44Å; R518-Y520 VanDerWaalsContact CB-CE1 3.44Å; R518-Y520 HydrophobicContact CB-CE2 4.1Å; R518-Y520 HydrophobicContact CB-CG 4.43Å; R518-Y520 HydrophobicContact CG-CE1 3.94Å; R518-Y520 PolarHBondContact O-N 3.47Å; R518-Y520 VanDerWaalsContact O-N 3.11Å
521	Y	75.1	Confident	50.5	Low	22 Å²	22	85.2 Å²	85.2	9%	0.086	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-84.9	-15.7	171.7	-63.5	-53.5	0	0	0	113.6	R312 T439 L514 S515 R518 D519 V523	R312-Y521 VanDerWaalsContact CD-CE1 3.47Å; T439-Y521 WeakPolarHBondContact O-CE1 3.39Å; L514-Y521 HydrophobicContact CD2-CE1 4.43Å; L514-Y521 WeakPolarHBondContact CD2-OH 3.35Å; S515-Y521 VanDerWaalsContact O-CD2 3.31Å; S515-Y521 WeakPolarHBondContact O-CD2 3.29Å; S515-Y521 WeakPolarHBondContact O-CE2 3.33Å; R518-Y521 HydrophobicContact CB-CD2 3.77Å; R518-Y521 HydrophobicContact CB-CE2 4.01Å; R518-Y521 HydrophobicContact CG-CE2 4.36Å; R518-Y521 WeakPolarHBondContact O-CB 3.41Å; R518-Y521 PolarHBondContact O-N 3.41Å; D519-Y521 PolarHBondContact O-N 2.96Å; Y521-V523 PolarHBondContact O-N 3.16Å
522	N	61.9	Low	49.2	Very low	111 Å²	111	88.2 Å²	88.2	59%	0.594	50%	0.502	S	S	*	.			trans	-75.8	72.6	177.5	-66.4	-30.6	0	0	0	110.4	D519	D519-N522 WeakPolarHBondContact O-CB 3.48Å; D519-N522 PolarHBondContact O-N 3.17Å; D519-N522 VanDerWaalsContact O-N 3.1Å
523	V	59.2	Low	48.2	Very low	35 Å²	35	86.8 Å²	86.8	21%	0.212	50%	0.504	C	S	.	.			trans	-87.9	117.2	177	-177.4	0	0	0	0	108.9	R309 Y521 N525	R309-V523 VanDerWaalsContact CZ-CG1 3.5Å; R309-V523 VanDerWaalsContact NH2-CG1 3.31Å; Y521-V523 PolarHBondContact O-N 3.16Å; V523-N525 PolarHBondContact O-N 3.06Å; V523-N525 VanDerWaalsContact O-N 3.14Å
524	I	41.2	Very low	47.5	Very low	162 Å²	162	89.5 Å²	89.5	83%	0.831	51%	0.511	S	S	*	.			trans	-70.6	105.2	162.3	-56.5	173.1	0	0	0	106.3	S526	I524-S526 PolarHBondContact O-N 3Å
525	N	32.8	Very low	46.5	Very low	101 Å²	101	91.6 Å²	91.6	54%	0.54	53%	0.525	S	S	.	.			trans	-59.6	108.2	172.4	-74.5	-24.5	0	0	0	108.2	V523 D527	V523-N525 PolarHBondContact O-N 3.06Å; V523-N525 VanDerWaalsContact O-N 3.14Å; N525-D527 PolarHBondContact O-N 2.85Å
526	S	31.5	Very low	45.3	Very low	79 Å²	79	90.9 Å²	90.9	55%	0.552	52%	0.518	S	S	*	.			trans	-71.8	-1.8	174	48.2	0	0	0	0	113.3	I524 N528	I524-S526 PolarHBondContact O-N 3Å; S526-N528 PolarHBondContact O-N 3.41Å
527	D	32.1	Very low	44	Very low	103 Å²	103	90.5 Å²	90.5	55%	0.551	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	11.5	-167.6	-58.7	-27.1	0	0	0	114.9	H306 N525	H306-D527 IonicContact NE2-OD2 3.16Å; N525-D527 PolarHBondContact O-N 2.85Å
528	N	28	Very low	42.7	Very low	169 Å²	169	91.1 Å²	91.1	90%	0.904	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	14.5	173.9	-86.3	-30.9	0	0	0	115.3	S526	S526-N528 PolarHBondContact O-N 3.41Å
529	S	26.9	Very low	40.7	Very low	72 Å²	72	93.9 Å²	93.9	50%	0.503	53%	0.532	S	S	.	.	S	Bend	trans	-156.7	141.2	168.2	65	0	0	0	0	112.5	S531	S529-S531 PolarHBondContact O-N 2.95Å; S529-S531 PolarHBondContact OG-OG 3.26Å
530	E	27.2	Very low	38.7	Very low	209 Å²	209	96.6 Å²	96.6	98%	0.977	54%	0.541	S	S	*	.			trans	-62.8	33.5	177.1	-65	174.1	128.7	0	0	114.9	A532	E530-A532 PolarHBondContact O-N 3.32Å
531	S	27.9	Very low	36.5	Very low	79 Å²	79	104.6 Å²	104.6	55%	0.552	58%	0.579	S	S	*	*			trans	-104.2	86.5	-169.9	60.2	0	0	0	0	114.2	S529 G533	S529-S531 PolarHBondContact O-N 2.95Å; S529-S531 PolarHBondContact OG-OG 3.26Å; S531-G533 VanDerWaalsContact C-N 3.29Å; S531-G533 PolarHBondContact O-N 3.14Å
532	A	29.3	Very low	34.4	Very low	87 Å²	87	109.1 Å²	109.1	72%	0.719	61%	0.609	S	S	*	*			trans	17.2	35.4	131.4	0	0	0	0	0	123	E530	E530-A532 PolarHBondContact O-N 3.32Å
533	G	29.9	Very low	32.7	Very low	57 Å²	57	112.2 Å²	112.2	59%	0.588	62%	0.62	S	S	*	*			trans	-92.1	-26.4	-171.9	0	0	0	0	0	118.8	S531	S531-G533 VanDerWaalsContact C-N 3.29Å; S531-G533 PolarHBondContact O-N 3.14Å
534	N	38.9	Very low	31.3	Very low	89 Å²	89	116.5 Å²	116.5	48%	0.476	65%	0.649	S	S	.	*	S	Bend	trans	-123.9	20.1	-169.6	-81.6	-28.9	0	0	0	114.5	P450	P450-N534 VanDerWaalsContact CG-C 3.42Å; P450-N534 HydrophobicContact CG-CB 4.4Å; P450-N534 WeakPolarHBondContact CG-O 3.49Å
535	V	35.9	Very low	30.9	Very low	56 Å²	56	115 Å²	115	34%	0.339	65%	0.647	S	S	.	*			trans	-134.8	118.2	-164.1	173	0	0	0	0	109.9	R405	R405-V535 HydrophobicContact CB-CB 4.41Å; R405-V535 HydrophobicContact CB-CG1 3.3Å; R405-V535 HydrophobicContact CB-CG2 4.23Å; R405-V535 HydrophobicContact CG-CB 4.49Å; R405-V535 HydrophobicContact CG-CG1 3.31Å
536	V	33.6	Very low	30.7	Very low	37 Å²	37	114.6 Å²	114.6	22%	0.224	66%	0.658	C	S	.	*	B	Isolated β-bridge	trans	-102	133.7	173.6	-177.1	0	0	0	0	108.7	V408 P450 M538	V408-V536 HydrophobicContact CG2-CB 4.37Å; V408-V536 HydrophobicContact CG2-CG2 4.44Å; P450-V536 HydrophobicContact CB-CG2 3.67Å; V536-M538 HydrophobicContact CG1-CG 4.35Å; V536-M538 HydrophobicContact CG1-SD 3.82Å
537	I	33.3	Very low	30.7	Very low	96 Å²	96	117.2 Å²	117.2	49%	0.492	67%	0.671	S	S	.	*			trans	-95.8	106.2	166.2	-60.3	173.8	0	0	0	106	M539	I537-M539 PolarHBondContact O-N 2.74Å
538	M	32.3	Very low	30.6	Very low	106 Å²	106	119 Å²	119	52%	0.522	69%	0.685	S	S	.	*			trans	-75.9	113.4	173.1	-64	-65.5	-79.2	0	0	108.5	M400 V536	M400-M538 HydrophobicContact CE-CB 4.1Å; V536-M538 HydrophobicContact CG1-CG 4.35Å; V536-M538 HydrophobicContact CG1-SD 3.82Å
539	M	29.7	Very low	30.9	Very low	170 Å²	170	115.1 Å²	115.1	84%	0.837	68%	0.677	S	S	*	*			trans	-87.2	133.3	166.9	-68.7	-169.4	169.2	0	0	108.7	I537 E541	I537-M539 PolarHBondContact O-N 2.74Å; M539-E541 PolarHBondContact O-N 3.37Å
540	E	30.6	Very low	31.3	Very low	166 Å²	166	119.2 Å²	119.2	78%	0.776	69%	0.693	S	S	*	*			trans	-72.2	109.1	175.4	-168.5	175.2	-169.8	0	0	109.5	T542	E540-T542 PolarHBondContact O-N 3.18Å
541	E	29.3	Very low	31.7	Very low	190 Å²	190	115.9 Å²	115.9	89%	0.888	69%	0.687	S	S	*	*			trans	-69.8	93.4	166.8	-83.2	-170.7	161.3	0	0	109.1	M539 Q543	M539-E541 PolarHBondContact O-N 3.37Å; E541-Q543 PolarHBondContact O-N 3.04Å
542	T	31.2	Very low	32	Very low	117 Å²	117	117.6 Å²	117.6	72%	0.718	70%	0.696	S	S	*	*			trans	-75.4	103.5	163.8	32.4	0	0	0	0	108.4	E540	E540-T542 PolarHBondContact O-N 3.18Å
543	Q	26.6	Very low	32.2	Very low	176 Å²	176	119.9 Å²	119.9	82%	0.822	71%	0.705	S	S	*	*			trans	-55.7	130.7	170.3	-76.4	-173.1	-18.6	0	0	110.2	E541 V545	E541-Q543 PolarHBondContact O-N 3.04Å; Q543-V545 PolarHBondContact O-N 2.97Å
544	P	29.3	Very low	32.5	Very low	125 Å²	125	120.4 Å²	120.4	81%	0.812	71%	0.71	S	S	*	*			trans	-76.3	118.4	177.9	28.4	-29.2	0	0	0	109.9	A546	P544-A546 PolarHBondContact O-N 3.04Å; P544-A546 VanDerWaalsContact O-N 3.15Å
545	V	32.8	Very low	32.4	Very low	131 Å²	131	122.8 Å²	122.8	79%	0.794	73%	0.728	S	S	*	*			trans	-68.1	108.5	167.3	178.1	0	0	0	0	108.3	Q543 T547	Q543-V545 PolarHBondContact O-N 2.97Å; V545-T547 PolarHBondContact O-N 2.97Å
546	A	27.8	Very low	32.2	Very low	93 Å²	93	127 Å²	127	77%	0.769	75%	0.754	S	S	*	*			trans	-63.2	120.3	172.5	0	0	0	0	0	110.5	P544	P544-A546 PolarHBondContact O-N 3.04Å; P544-A546 VanDerWaalsContact O-N 3.15Å
547	T	33.3	Very low	32.5	Very low	134 Å²	134	132.3 Å²	132.3	82%	0.822	82%	0.816	S	S	*	*			trans	-127.5	114.5	158.4	32.5	0	0	0	0	108.6	V545	V545-T547 PolarHBondContact O-N 2.97Å
548	T	29.9	Very low	32.4	Very low	140 Å²	140	134.2 Å²	134.2	86%	0.859	83%	0.832	S	S	*	*			trans	-76.3	157.2	175.9	38.1	0	0	0	0	111.4
549	A	34	Very low	32.4	Very low	88 Å²	88	135.6 Å²	135.6	73%	0.727	85%	0.848	S	S	*	*			trans	107.3	94.7	158.9	0	0	0	0	0	117
550	N	34.9	Very low	32.6	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	85%	0.849	S	S	*	*				43.2	122	125.7	-61.8	-11.9	0	0	0	119
551	V	34.3	Very low	32.7	Very low	139 Å²	139	131.8 Å²	131.8	84%	0.842	85%	0.853	S	S	*	*				-172.6	137.6	104.7	169.3	0	0	0	0	108.7
552	P	34.3	Very low	32.9	Very low	115 Å²	115	128.2 Å²	128.2	75%	0.747	85%	0.851	S	S	*	*			trans	-103.7	176.6	-169.4	39.7	-32.7	0	0	0	115.4
553	C	35.1	Very low	33	Very low	135 Å²	135	128.9 Å²	128.9	91%	0.912	86%	0.86	S	S	*	*			trans	101	130.9	157.5	-80.8	0	0	0	0	120.5
554	G	35.9	Very low	33.5	Very low	68 Å²	68	125.6 Å²	125.6	70%	0.701	86%	0.863	S	S	*	*			trans	100.6	90.1	148.4	0	0	0	0	0	114.9
555	V	35.4	Very low	33.8	Very low	139 Å²	139	125.6 Å²	125.6	84%	0.842	87%	0.867	S	S	*	*				63.9	101.2	86.3	-176	0	0	0	0	113.9
556	V	32.5	Very low	33.9	Very low	146 Å²	146	125.2 Å²	125.2	89%	0.885	87%	0.873	S	S	*	*			trans	67.9	115.9	140	-172.1	0	0	0	0	119.2
557	G	39.1	Very low	34.4	Very low	148 Å²	148	128.1 Å²	128.1	100%	1.526	88%	0.882	S	S	*	*			trans	178.3	0	165.7	0	0	0	0	0	108.9

Retrieved 557 of 557 residues in 229 ms (Link to these results)

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