G4LXT0_SCHMA Loading...

histone acetyltransferase

AlphaFold DB , UniProt , Accession G4LXT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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	33.4	Very low	50.5	Low	230 Å²	230	117 Å²	117	100%	1.133	62%	0.624	S	S	*	*				0	87.7	0	-158.7	175.7	-168.8	0	0	107.4	V3	M1-V3 PolarHBondContact O-N 3.45Å
2	V	29.1	Very low	53.2	Low	142 Å²	142	108.8 Å²	108.8	86%	0.861	59%	0.588	S	S	*	*			trans	-81.3	95.6	175.6	179.5	0	0	0	0	105.9	S4	V2-S4 PolarHBondContact O-N 3.43Å
3	V	30.3	Very low	55.9	Low	115 Å²	115	100.8 Å²	100.8	70%	0.697	55%	0.545	S	S	*	.			trans	-68.5	92.3	166.3	-177	0	0	0	0	105.1	M1 N5	M1-V3 PolarHBondContact O-N 3.45Å; V3-N5 PolarHBondContact O-N 3.06Å
4	S	34.3	Very low	58.4	Low	80 Å²	80	98.9 Å²	98.9	56%	0.559	53%	0.529	S	S	*	.			trans	-59.3	110.6	177.3	58.6	0	0	0	0	107.6	V2 S6	V2-S4 PolarHBondContact O-N 3.43Å; S4-S6 PolarHBondContact O-N 2.8Å; S4-S6 PolarHBondContact O-OG 3.44Å
5	N	38.2	Very low	60.7	Low	121 Å²	121	92.4 Å²	92.4	65%	0.647	50%	0.495	S	S	*	.			trans	-66.7	41.4	169.9	-93.7	-22.5	0	0	0	111.6	V3 K7 K8	V3-N5 PolarHBondContact O-N 3.06Å; N5-K7 PolarHBondContact O-N 2.95Å; N5-K8 PolarHBondContact O-N 3.15Å
6	S	45	Very low	62.8	Low	76 Å²	76	87.3 Å²	87.3	53%	0.531	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-9.1	-173.6	43.6	0	0	0	0	113.9	S4	S4-S6 PolarHBondContact O-N 2.8Å; S4-S6 PolarHBondContact O-OG 3.44Å
7	K	52.8	Low	64.5	Low	128 Å²	128	82.1 Å²	82.1	56%	0.557	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.2	175.7	-68.4	-172.5	176.4	-175.8	0	114.8	N5 N9	N5-K7 PolarHBondContact O-N 2.95Å; K7-N9 VanDerWaalsContact C-N 3.35Å; K7-N9 PolarHBondContact O-N 3.23Å
8	K	56.9	Low	66	Low	169 Å²	169	81.4 Å²	81.4	74%	0.735	43%	0.432	S	S	*	.	S	Bend	trans	-79.9	1.7	-165.2	-87.1	-169.4	174.1	-175	0	117.2	N5	N5-K8 PolarHBondContact O-N 3.15Å
9	N	70.8	Confident	67	Low	127 Å²	127	78.6 Å²	78.6	68%	0.679	42%	0.417	S	S	*	.			trans	-154	68.7	178.5	-154.3	-18	0	0	0	111.9	K7	K7-N9 VanDerWaalsContact C-N 3.35Å; K7-N9 PolarHBondContact O-N 3.23Å
10	I	82	Confident	67.5	Low	5 Å²	5	78.4 Å²	78.4	3%	0.026	42%	0.421	C	S	.	.			trans	-111.1	8	176.7	63.1	175.7	0	0	0	112.7	C13 I30 Y42 F64 I67	I10-C13 HydrophobicContact CB-CB 4.45Å; I10-C13 WeakPolarHBondContact O-CB 3.39Å; I10-C13 PolarHBondContact O-N 3.03Å; I10-C13 PolarHBondContact O-SG 2.84Å; I10-C13 VanDerWaalsContact O-SG 3.39Å; I10-I30 HydrophobicContact CB-CD1 4.2Å; I10-I30 HydrophobicContact CD1-CD1 3.34Å; I10-I30 HydrophobicContact CG1-CD1 3.62Å; I10-Y42 HydrophobicContact CD1-CD1 4.01Å; I10-Y42 HydrophobicContact CD1-CE1 3.44Å; I10-Y42 VanDerWaalsContact CD1-CE1 3.44Å; I10-Y42 HydrophobicContact CG1-CD1 4.4Å; I10-Y42 HydrophobicContact CG1-CE1 3.97Å; I10-F64 HydrophobicContact CD1-CD1 4.32Å; I10-F64 HydrophobicContact CD1-CE1 3.61Å; I10-I67 HydrophobicContact CB-CD1 4.01Å; I10-I67 HydrophobicContact CG2-CD1 3.71Å
11	E	82.7	Confident	67.9	Low	94 Å²	94	80.6 Å²	80.6	44%	0.439	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	134	172.7	-61.5	-178.8	167.9	0	0	109.7	C13 G32 T33	E11-C13 VanDerWaalsContact C-N 3.27Å; E11-C13 PolarHBondContact O-N 3.34Å; E11-G32 WeakPolarHBondContact OE1-CA 3.38Å; E11-T33 PolarHBondContact OE1-N 2.92Å
12	G	82.9	Confident	70.1	Confident	19 Å²	19	71.2 Å²	71.2	20%	0.196	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-4.2	-170.7	0	0	0	0	0	115	I30 P70	G12-I30 PolarHBondContact N-O 2.96Å; G12-P70 WeakPolarHBondContact O-CD 3.38Å
13	C	88.7	Confident	72.5	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.027	38%	0.38	C	S	.	.			trans	-79.7	146.4	173.5	-58.1	0	0	0	0	110.7	I10 E11 E29 I30 I67 E68	I10-C13 HydrophobicContact CB-CB 4.45Å; I10-C13 WeakPolarHBondContact O-CB 3.39Å; I10-C13 PolarHBondContact O-N 3.03Å; I10-C13 PolarHBondContact O-SG 2.84Å; I10-C13 VanDerWaalsContact O-SG 3.39Å; E11-C13 VanDerWaalsContact C-N 3.27Å; E11-C13 PolarHBondContact O-N 3.34Å; C13-E29 WeakPolarHBondContact O-CA 3.41Å; C13-I30 PolarHBondContact O-N 3.14Å; C13-I67 HydrophobicContact CB-CD1 3.74Å; C13-I67 HydrophobicContact CB-CG1 3.71Å; C13-E68 CarbonylContact C-O 3.54Å; C13-E68 VanDerWaalsContact CA-O 3.31Å; C13-E68 WeakPolarHBondContact CA-O 3.48Å; C13-E68 WeakPolarHBondContact CB-O 3.35Å
14	K	91.2	Very high	75.2	Confident	74 Å²	74	72.5 Å²	72.5	32%	0.322	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.9	172.2	-65.9	-169.1	173.2	-145.2	0	110.6	A28 E29 D47 E68	K14-A28 CarbonylContact C-O 3.59Å; K14-A28 VanDerWaalsContact CA-O 3.25Å; K14-A28 WeakPolarHBondContact CA-O 3.27Å; K14-E29 HydrophobicContact CG-CB 4.21Å; K14-E29 HydrophobicContact CG-CG 4.48Å; K14-D47 VanDerWaalsContact NZ-CG 3.33Å; K14-D47 IonicContact NZ-OD1 2.77Å; K14-D47 PolarHBondContact NZ-OD1 2.86Å; K14-D47 IonicContact NZ-OD2 3.23Å; K14-D47 PolarHBondContact NZ-OD2 3.41Å; K14-E68 HydrophobicContact CB-CB 4.3Å; K14-E68 PolarHBondContact N-O 2.98Å; K14-E68 PolarHBondContact O-N 3.11Å
15	L	92.9	Very high	77.7	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	163.1	173.9	67.6	152.4	0	0	0	110.7	V17 A28 I30 L62 F64	L15-V17 HydrophobicContact CG-CG2 4.39Å; L15-A28 PolarHBondContact N-O 3.04Å; L15-A28 PolarHBondContact O-N 3.05Å; L15-I30 HydrophobicContact CD2-CD1 3.43Å; L15-I30 VanDerWaalsContact CD2-CD1 3.43Å; L15-I30 HydrophobicContact CD2-CG1 3.47Å; L15-I30 VanDerWaalsContact CD2-CG1 3.47Å; L15-L62 HydrophobicContact CD1-CB 3.59Å; L15-L62 HydrophobicContact CD1-CD2 3.8Å; L15-L62 HydrophobicContact CD1-CG 3.86Å; L15-L62 HydrophobicContact CD2-CD2 4.35Å; L15-F64 HydrophobicContact CD1-CD1 4.34Å
16	P	93.3	Very high	80.2	Confident	10 Å²	10	70 Å²	70	7%	0.065	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.2	172.4	-16.1	30.6	0	0	0	111.8	F25 H26 D63 R66	P16-F25 HydrophobicContact CB-CB 3.81Å; P16-F25 HydrophobicContact CB-CD1 4Å; P16-F25 HydrophobicContact CB-CG 4.3Å; P16-H26 WeakPolarHBondContact CA-O 3.43Å; P16-D63 HydrophobicContact CB-CB 4.26Å; P16-D63 HydrophobicContact CG-CB 4.46Å; P16-D63 PolarHBondContact O-N 2.88Å; P16-R66 HydrophobicContact CG-CB 3.91Å
17	V	92.6	Very high	82.4	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.8	176.8	-178.3	0	0	0	0	109.7	L15 F25 H26 A28 V44 Y46 V57 R61 L62	L15-V17 HydrophobicContact CG-CG2 4.39Å; V17-F25 WeakPolarHBondContact O-CA 3.3Å; V17-H26 PolarHBondContact N-O 3.39Å; V17-H26 PolarHBondContact O-N 3.44Å; V17-A28 HydrophobicContact CB-CB 4.22Å; V17-A28 HydrophobicContact CG2-CB 3.73Å; V17-V44 HydrophobicContact CG1-CG2 4.46Å; V17-V44 HydrophobicContact CG2-CG1 4.18Å; V17-Y46 HydrophobicContact CB-CE1 3.94Å; V17-Y46 HydrophobicContact CG1-CE1 3.97Å; V17-V57 HydrophobicContact CG1-CG1 4.47Å; V17-V57 HydrophobicContact CG1-CG2 4.22Å; V17-R61 CarbonylContact C-O 3.59Å; V17-R61 WeakPolarHBondContact CA-O 3.2Å; V17-R61 HydrophobicContact CG1-CB 4.32Å; V17-L62 HydrophobicContact CG2-CG 4.27Å
18	K	90.4	Very high	84.3	Confident	69 Å²	69	63.9 Å²	63.9	30%	0.3	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.6	177.8	-166	179.7	-172.4	-177.6	0	110.3	S22 D23 F25 R61	K18-S22 WeakPolarHBondContact CE-O 3.29Å; K18-D23 WeakPolarHBondContact CE-OD1 3.43Å; K18-D23 IonicContact NZ-OD1 2.72Å; K18-D23 PolarHBondContact NZ-OD1 2.98Å; K18-F25 HydrophobicContact CB-CD1 4.13Å; K18-F25 HydrophobicContact CB-CE1 3.82Å; K18-F25 HydrophobicContact CB-CE2 4.46Å; K18-F25 HydrophobicContact CB-CZ 4Å; K18-F25 HydrophobicContact CD-CZ 4.47Å; K18-F25 HydrophobicContact CG-CE2 4.43Å; K18-F25 HydrophobicContact CG-CZ 4.34Å; K18-R61 HydrophobicContact CB-CB 4.36Å; K18-R61 PolarHBondContact N-O 3.2Å; K18-R61 VanDerWaalsContact O-CZ 3.23Å; K18-R61 PolarHBondContact O-NE 3.25Å; K18-R61 PolarHBondContact O-NH2 3.35Å
19	L	86.1	Confident	85.9	Confident	28 Å²	28	57.2 Å²	57.2	15%	0.147	29%	0.293	C	S	.	.			trans	-73.6	153.4	178.6	-62.9	171.8	0	0	0	111.9	D21 S22 F24 H26 Y46 Y49	L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 3.37Å; L19-S22 WeakPolarHBondContact CB-OG 3.31Å; L19-S22 PolarHBondContact O-N 2.9Å; L19-S22 VanDerWaalsContact O-O 3.11Å; L19-F24 PolarHBondContact N-O 2.86Å; L19-F24 VanDerWaalsContact N-O 3.13Å; L19-H26 HydrophobicContact CD1-CB 4.49Å; L19-H26 HydrophobicContact CD2-CB 4.31Å; L19-H26 HydrophobicContact CG-CB 4.39Å; L19-Y46 HydrophobicContact CD2-CD1 3.94Å; L19-Y46 HydrophobicContact CD2-CE1 3.58Å; L19-Y49 HydrophobicContact CD2-CE1 4.37Å
20	P	76.7	Confident	86.8	Confident	75 Å²	75	51.2 Å²	51.2	49%	0.487	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.7	-170.1	-23.6	32.1	0	0	0	115.2	E55 R61	P20-E55 WeakPolarHBondContact CG-OE1 3.04Å; P20-R61 VanDerWaalsContact CD-NH2 3.3Å
21	D	76.6	Confident	87.1	Confident	125 Å²	125	51.2 Å²	51.2	67%	0.668	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	26.5	-173.4	-56.3	-50.1	0	0	0	112.1	L19 K158	L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 3.37Å; D21-K158 IonicContact OD2-NZ 2.79Å; D21-K158 PolarHBondContact OD2-NZ 3.19Å
22	S	78	Confident	87.3	Confident	32 Å²	32	46.8 Å²	46.8	22%	0.224	24%	0.241	C	C	.	.			trans	-150.7	155.7	177.9	86.1	0	0	0	0	112.4	K18 L19 F24	K18-S22 WeakPolarHBondContact CE-O 3.29Å; L19-S22 WeakPolarHBondContact CB-OG 3.31Å; L19-S22 PolarHBondContact O-N 2.9Å; L19-S22 VanDerWaalsContact O-O 3.11Å; S22-F24 PolarHBondContact O-N 2.75Å; S22-F24 PolarHBondContact OG-N 2.88Å
23	D	80.3	Confident	87.5	Confident	126 Å²	126	48.2 Å²	48.2	67%	0.674	25%	0.246	S	C	*	.	S	Bend	trans	-80.8	1.8	170.3	-68	-46.5	0	0	0	113.7	K18	K18-D23 WeakPolarHBondContact CE-OD1 3.43Å; K18-D23 IonicContact NZ-OD1 2.72Å; K18-D23 PolarHBondContact NZ-OD1 2.98Å
24	F	86.8	Confident	87.3	Confident	158 Å²	158	53.9 Å²	53.9	69%	0.693	27%	0.266	S	S	*	.			trans	-81.3	138.9	177.2	-60.3	-72.6	0	0	0	111.6	L19 S22	L19-F24 PolarHBondContact N-O 2.86Å; L19-F24 VanDerWaalsContact N-O 3.13Å; S22-F24 PolarHBondContact O-N 2.75Å; S22-F24 PolarHBondContact OG-N 2.88Å
25	F	88	Confident	87.1	Confident	102 Å²	102	55.4 Å²	55.4	45%	0.447	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.9	169.5	-71.9	-101.8	0	0	0	109.2	P16 V17 K18 D63	P16-F25 HydrophobicContact CB-CB 3.81Å; P16-F25 HydrophobicContact CB-CD1 4Å; P16-F25 HydrophobicContact CB-CG 4.3Å; V17-F25 WeakPolarHBondContact O-CA 3.3Å; K18-F25 HydrophobicContact CB-CD1 4.13Å; K18-F25 HydrophobicContact CB-CE1 3.82Å; K18-F25 HydrophobicContact CB-CE2 4.46Å; K18-F25 HydrophobicContact CB-CZ 4Å; K18-F25 HydrophobicContact CD-CZ 4.47Å; K18-F25 HydrophobicContact CG-CE2 4.43Å; K18-F25 HydrophobicContact CG-CZ 4.34Å; F25-D63 HydrophobicContact CD1-CB 4.36Å; F25-D63 HydrophobicContact CE1-CB 4.16Å
26	H	89.4	Confident	86.7	Confident	48 Å²	48	58.7 Å²	58.7	22%	0.222	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143	173.5	-162.7	73	0	0	0	109.3	P16 V17 L19 A28 Y46 D47 Y49	P16-H26 WeakPolarHBondContact CA-O 3.43Å; V17-H26 PolarHBondContact N-O 3.39Å; V17-H26 PolarHBondContact O-N 3.44Å; L19-H26 HydrophobicContact CD1-CB 4.49Å; L19-H26 HydrophobicContact CD2-CB 4.31Å; L19-H26 HydrophobicContact CG-CB 4.39Å; H26-A28 PolarHBondContact O-N 3.02Å; H26-Y46 HydrophobicContact CB-CD1 4.28Å; H26-D47 PolarHBondContact CD2-O 3.42Å; H26-D47 PolarHBondContact NE2-O 2.72Å; H26-Y49 AromaticContact CE1-CE2 3.79Å; H26-Y49 AromaticContact NE2-CD2 3.72Å; H26-Y49 AromaticContact NE2-CE2 3.64Å
27	N	91.6	Very high	86.3	Confident	74 Å²	74	61.8 Å²	61.8	40%	0.396	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.6	178.9	-75.6	-15.4	0	0	0	110.2	D47	N27-D47 HydrophobicContact CB-CB 4.37Å; N27-D47 WeakPolarHBondContact CB-OD2 3.41Å; N27-D47 PolarHBondContact O-N 2.91Å
28	A	91.7	Very high	85.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.1	179.2	0	0	0	0	0	111.2	K14 L15 V17 H26 V44 H45 Y46	K14-A28 CarbonylContact C-O 3.59Å; K14-A28 VanDerWaalsContact CA-O 3.25Å; K14-A28 WeakPolarHBondContact CA-O 3.27Å; L15-A28 PolarHBondContact N-O 3.04Å; L15-A28 PolarHBondContact O-N 3.05Å; V17-A28 HydrophobicContact CB-CB 4.22Å; V17-A28 HydrophobicContact CG2-CB 3.73Å; H26-A28 PolarHBondContact O-N 3.02Å; A28-V44 HydrophobicContact CB-CB 4.14Å; A28-H45 CarbonylContact C-O 3.57Å; A28-H45 WeakPolarHBondContact CA-O 3.24Å; A28-H45 VanDerWaalsContact CB-O 3.28Å; A28-H45 WeakPolarHBondContact CB-O 3.33Å; A28-Y46 HydrophobicContact CB-CD1 3.89Å; A28-Y46 HydrophobicContact CB-CE1 4.38Å; A28-Y46 HydrophobicContact CB-CG 4.38Å
29	E	91.2	Very high	85.7	Confident	30 Å²	30	70 Å²	70	14%	0.14	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.2	169.4	-171	-171.1	160.3	0	0	110	C13 K14 L31 V44 H45 R177	C13-E29 WeakPolarHBondContact O-CA 3.41Å; K14-E29 HydrophobicContact CG-CB 4.21Å; K14-E29 HydrophobicContact CG-CG 4.48Å; E29-L31 HydrophobicContact CB-CD2 4.4Å; E29-L31 HydrophobicContact CG-CD2 4.01Å; E29-L31 PolarHBondContact O-N 3.42Å; E29-V44 WeakPolarHBondContact O-CA 3.25Å; E29-H45 PolarHBondContact N-O 2.96Å; E29-H45 PolarHBondContact O-N 3.21Å; E29-R177 VanDerWaalsContact CD-NH1 3.35Å; E29-R177 IonicContact OE1-CZ 3.01Å; E29-R177 VanDerWaalsContact OE1-CZ 3.26Å; E29-R177 IonicContact OE1-NH1 3.06Å; E29-R177 PolarHBondContact OE1-NH1 2.93Å; E29-R177 IonicContact OE1-NH2 3.91Å; E29-R177 PolarHBondContact OE1-NH2 2.87Å; E29-R177 IonicContact OE2-NH1 3.77Å; E29-R177 PolarHBondContact OE2-NH1 3.4Å; E29-R177 VanDerWaalsContact OE2-NH1 3.14Å
30	I	90.8	Very high	85.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.2	167.9	-60.7	178.2	0	0	0	108.5	I10 G12 C13 L15 Y42 L62	I10-I30 HydrophobicContact CB-CD1 4.2Å; I10-I30 HydrophobicContact CD1-CD1 3.34Å; I10-I30 HydrophobicContact CG1-CD1 3.62Å; G12-I30 PolarHBondContact N-O 2.96Å; C13-I30 PolarHBondContact O-N 3.14Å; L15-I30 HydrophobicContact CD2-CD1 3.43Å; L15-I30 VanDerWaalsContact CD2-CD1 3.43Å; L15-I30 HydrophobicContact CD2-CG1 3.47Å; L15-I30 VanDerWaalsContact CD2-CG1 3.47Å; I30-Y42 HydrophobicContact CD1-CD1 4.08Å; I30-Y42 HydrophobicContact CD1-CG 4.47Å; I30-Y42 HydrophobicContact CG2-CD1 4.07Å; I30-L62 HydrophobicContact CD1-CD2 3.79Å; I30-L62 HydrophobicContact CG1-CD2 4.34Å
31	L	87	Confident	86.4	Confident	6 Å²	6	70.8 Å²	70.8	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-23.1	178.6	-58	-176.9	0	0	0	113.5	E29 Y43 H45 R177 M178	E29-L31 HydrophobicContact CB-CD2 4.4Å; E29-L31 HydrophobicContact CG-CD2 4.01Å; E29-L31 PolarHBondContact O-N 3.42Å; L31-Y43 HydrophobicContact CB-CD1 4.07Å; L31-Y43 HydrophobicContact CD1-CD1 4.02Å; L31-Y43 HydrophobicContact CD1-CE1 4.12Å; L31-Y43 HydrophobicContact CG-CD1 4.46Å; L31-Y43 PolarHBondContact N-O 3.22Å; L31-H45 HydrophobicContact CD1-CB 3.7Å; L31-H45 HydrophobicContact CD2-CB 4.49Å; L31-H45 HydrophobicContact CG-CB 4.05Å; L31-R177 HydrophobicContact CD1-CB 4.14Å; L31-M178 HydrophobicContact CB-CG 3.8Å; L31-M178 HydrophobicContact CB-SD 4.18Å
32	G	86.9	Confident	87.1	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	160.8	178	0	0	0	0	0	113.3	E11 Y42 Y43 M178	E11-G32 WeakPolarHBondContact OE1-CA 3.38Å; G32-Y42 CarbonylContact O-C 3.5Å; G32-Y42 WeakPolarHBondContact O-CA 3.48Å; G32-Y43 PolarHBondContact O-N 3.35Å; G32-M178 VanDerWaalsContact CA-SD 3.59Å
33	T	87.1	Confident	87.7	Confident	48 Å²	48	63.5 Å²	63.5	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.5	179.9	-49.1	0	0	0	0	110.8	E11 T40 Y41 Y42	E11-T33 PolarHBondContact OE1-N 2.92Å; T33-T40 HydrophobicContact CG2-CG2 3.35Å; T33-Y41 WeakPolarHBondContact CA-O 3.41Å; T33-Y42 HydrophobicContact CG2-CD1 3.92Å; T33-Y42 HydrophobicContact CG2-CE1 3.62Å
34	R	85.8	Confident	88.2	Confident	123 Å²	123	57.5 Å²	57.5	46%	0.464	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.9	174.3	-171.9	-176.7	76.6	-176.8	1.5	111.1	V36 Y41 W56	R34-V36 HydrophobicContact CG-CG2 4.24Å; R34-V36 VanDerWaalsContact NE-CG2 3.33Å; R34-Y41 PolarHBondContact N-O 3.26Å; R34-Y41 PolarHBondContact O-N 3.24Å; R34-W56 HydrophobicContact CB-CE3 4.31Å; R34-W56 HydrophobicContact CB-CH2 3.71Å; R34-W56 HydrophobicContact CB-CZ2 4.48Å; R34-W56 HydrophobicContact CB-CZ3 3.61Å
35	D	86.4	Confident	88.3	Confident	107 Å²	107	51.1 Å²	51.1	57%	0.572	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.2	172.5	-62.8	-42.6	0	0	0	110.6	T40	D35-T40 WeakPolarHBondContact OD1-CB 3.35Å; D35-T40 VanDerWaalsContact OD1-CG2 3.29Å; D35-T40 WeakPolarHBondContact OD1-CG2 2.95Å; D35-T40 PolarHBondContact OD1-OG1 3.16Å
36	V	83.4	Confident	88.4	Confident	70 Å²	70	46.4 Å²	46.4	42%	0.424	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	102.2	175.9	-176.9	0	0	0	0	108.3	R34 D38 C39 Y41	R34-V36 HydrophobicContact CG-CG2 4.24Å; R34-V36 VanDerWaalsContact NE-CG2 3.33Å; V36-D38 PolarHBondContact O-N 2.83Å; V36-C39 PolarHBondContact N-O 3.16Å; V36-C39 PolarHBondContact O-N 3.21Å; V36-Y41 HydrophobicContact CB-CD2 4.22Å; V36-Y41 HydrophobicContact CB-CE2 4.05Å; V36-Y41 HydrophobicContact CG2-CD2 4.14Å; V36-Y41 HydrophobicContact CG2-CE2 4.36Å
37	G	85.1	Confident	88.2	Confident	75 Å²	75	45.6 Å²	45.6	77%	0.773	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-127.8	-171	0	0	0	0	0	110.5	C39	G37-C39 VanDerWaalsContact C-N 3.34Å
38	D	83.5	Confident	87.7	Confident	175 Å²	175	49 Å²	49	94%	0.936	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	1.6	178.6	-60	-34.3	0	0	0	113.4	V36	V36-D38 PolarHBondContact O-N 2.83Å
39	C	86.5	Confident	87.1	Confident	68 Å²	68	50.9 Å²	50.9	46%	0.459	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.2	-177.6	-65.9	0	0	0	0	111.5	V36 G37 Y41	V36-C39 PolarHBondContact N-O 3.16Å; V36-C39 PolarHBondContact O-N 3.21Å; G37-C39 VanDerWaalsContact C-N 3.34Å; C39-Y41 HydrophobicContact CB-CD2 4.45Å; C39-Y41 HydrophobicContact CB-CE2 3.77Å
40	T	87.7	Confident	86.5	Confident	41 Å²	41	49.7 Å²	49.7	25%	0.252	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.2	169.4	-54.3	0	0	0	0	110.1	T33 D35 Y42	T33-T40 HydrophobicContact CG2-CG2 3.35Å; D35-T40 WeakPolarHBondContact OD1-CB 3.35Å; D35-T40 VanDerWaalsContact OD1-CG2 3.29Å; D35-T40 WeakPolarHBondContact OD1-CG2 2.95Å; D35-T40 PolarHBondContact OD1-OG1 3.16Å; T40-Y42 HydrophobicContact CG2-CE1 3.89Å; T40-Y42 HydrophobicContact CG2-CE2 3.92Å
41	Y	90.3	Very high	86	Confident	78 Å²	78	51 Å²	51	31%	0.306	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.2	174.5	-67.6	-96.1	0	0	0	110.6	T33 R34 V36 C39 V57	T33-Y41 WeakPolarHBondContact CA-O 3.41Å; R34-Y41 PolarHBondContact N-O 3.26Å; R34-Y41 PolarHBondContact O-N 3.24Å; V36-Y41 HydrophobicContact CB-CD2 4.22Å; V36-Y41 HydrophobicContact CB-CE2 4.05Å; V36-Y41 HydrophobicContact CG2-CD2 4.14Å; V36-Y41 HydrophobicContact CG2-CE2 4.36Å; C39-Y41 HydrophobicContact CB-CD2 4.45Å; C39-Y41 HydrophobicContact CB-CE2 3.77Å; Y41-V57 CarbonylContact C-O 3.42Å; Y41-V57 VanDerWaalsContact CA-O 3.32Å; Y41-V57 WeakPolarHBondContact CA-O 3.26Å
42	Y	91.4	Very high	85.5	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.7	-178.7	-58	-81.4	0	0	0	109.6	I10 I30 G32 T33 T40 W56 V57 A59 L62 F64	I10-Y42 HydrophobicContact CD1-CD1 4.01Å; I10-Y42 HydrophobicContact CD1-CE1 3.44Å; I10-Y42 VanDerWaalsContact CD1-CE1 3.44Å; I10-Y42 HydrophobicContact CG1-CD1 4.4Å; I10-Y42 HydrophobicContact CG1-CE1 3.97Å; I30-Y42 HydrophobicContact CD1-CD1 4.08Å; I30-Y42 HydrophobicContact CD1-CG 4.47Å; I30-Y42 HydrophobicContact CG2-CD1 4.07Å; G32-Y42 CarbonylContact O-C 3.5Å; G32-Y42 WeakPolarHBondContact O-CA 3.48Å; T33-Y42 HydrophobicContact CG2-CD1 3.92Å; T33-Y42 HydrophobicContact CG2-CE1 3.62Å; T40-Y42 HydrophobicContact CG2-CE1 3.89Å; T40-Y42 HydrophobicContact CG2-CE2 3.92Å; Y42-W56 CarbonylContact O-C 3.54Å; Y42-W56 WeakPolarHBondContact O-CA 3.22Å; Y42-V57 PolarHBondContact N-O 2.97Å; Y42-V57 WeakPolarHBondContact O-CG2 3.36Å; Y42-V57 PolarHBondContact O-N 3.24Å; Y42-A59 HydrophobicContact CE2-CB 4.04Å; Y42-L62 HydrophobicContact CD1-CD2 4.42Å; Y42-L62 HydrophobicContact CD2-CD1 3.86Å; Y42-L62 HydrophobicContact CD2-CD2 3.6Å; Y42-L62 HydrophobicContact CD2-CG 4.42Å; Y42-L62 HydrophobicContact CE2-CD2 4.17Å; Y42-L62 HydrophobicContact CG-CD1 4.5Å; Y42-L62 HydrophobicContact CG-CD2 3.72Å; Y42-F64 AromaticContact CE2-CZ 3.87Å; Y42-F64 HydrophobicContact CE2-CZ 3.87Å
43	Y	91	Very high	85.3	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119	172.1	-165.8	-91.9	0	0	0	108.4	L31 G32 D54 E55 W56 M178 R179	L31-Y43 HydrophobicContact CB-CD1 4.07Å; L31-Y43 HydrophobicContact CD1-CD1 4.02Å; L31-Y43 HydrophobicContact CD1-CE1 4.12Å; L31-Y43 HydrophobicContact CG-CD1 4.46Å; L31-Y43 PolarHBondContact N-O 3.22Å; G32-Y43 PolarHBondContact O-N 3.35Å; Y43-D54 HydrophobicContact CE1-CB 3.61Å; Y43-D54 VanDerWaalsContact OH-CB 3.31Å; Y43-D54 WeakPolarHBondContact OH-CB 3.39Å; Y43-E55 WeakPolarHBondContact CA-O 3.29Å; Y43-W56 AromaticContact CD2-CD1 3.73Å; Y43-W56 AromaticContact CD2-CD2 3.85Å; Y43-W56 HydrophobicContact CD2-CD2 3.85Å; Y43-W56 AromaticContact CD2-CE2 3.58Å; Y43-W56 AromaticContact CD2-CG 3.93Å; Y43-W56 HydrophobicContact CD2-CG 3.93Å; Y43-W56 HydrophobicContact CD2-CZ2 4.12Å; Y43-W56 AromaticContact CD2-NE1 3.49Å; Y43-W56 HydrophobicContact CG-CD2 4.41Å; Y43-W56 HydrophobicContact CG-CZ2 4.41Å; Y43-W56 VanDerWaalsContact N-CE3 3.3Å; Y43-M178 HydrophobicContact CD1-CB 4.35Å; Y43-M178 HydrophobicContact CD1-CG 3.68Å; Y43-M178 HydrophobicContact CD1-SD 4.19Å; Y43-M178 HydrophobicContact CE1-CB 4.34Å; Y43-M178 HydrophobicContact CE1-CG 4.07Å; Y43-M178 HydrophobicContact CG-CG 4.16Å; Y43-M178 HydrophobicContact CG-SD 4.14Å; Y43-R179 HydrophobicContact CE2-CG 4.28Å
44	V	90.8	Very high	85.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.9	-172.3	-63	0	0	0	0	111.4	V17 A28 E29 Y46 D54 E55 V57	V17-V44 HydrophobicContact CG1-CG2 4.46Å; V17-V44 HydrophobicContact CG2-CG1 4.18Å; A28-V44 HydrophobicContact CB-CB 4.14Å; E29-V44 WeakPolarHBondContact O-CA 3.25Å; V44-Y46 HydrophobicContact CG2-CE1 4.47Å; V44-Y46 HydrophobicContact CG2-CE2 4.03Å; V44-D54 WeakPolarHBondContact O-CA 3.49Å; V44-D54 WeakPolarHBondContact O-CB 3.42Å; V44-E55 HydrophobicContact CG2-CG 4.27Å; V44-E55 PolarHBondContact N-O 3.36Å; V44-E55 PolarHBondContact O-N 3.34Å; V44-V57 HydrophobicContact CB-CG2 4.36Å; V44-V57 HydrophobicContact CG1-CG2 3.57Å; V44-V57 HydrophobicContact CG2-CG1 3.86Å; V44-V57 HydrophobicContact CG2-CG2 3.86Å
45	H	89.2	Confident	85.6	Confident	24 Å²	24	48.2 Å²	48.2	11%	0.111	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118	167.5	174.8	58.5	0	0	0	109	A28 E29 L31 Y49 D54	A28-H45 CarbonylContact C-O 3.57Å; A28-H45 WeakPolarHBondContact CA-O 3.24Å; A28-H45 VanDerWaalsContact CB-O 3.28Å; A28-H45 WeakPolarHBondContact CB-O 3.33Å; E29-H45 PolarHBondContact N-O 2.96Å; E29-H45 PolarHBondContact O-N 3.21Å; L31-H45 HydrophobicContact CD1-CB 3.7Å; L31-H45 HydrophobicContact CD2-CB 4.49Å; L31-H45 HydrophobicContact CG-CB 4.05Å; H45-Y49 PolarHBondContact CE1-O 3.35Å; H45-D54 IonicContact CE1-OD1 3.7Å; H45-D54 IonicContact CG-OD1 3.03Å; H45-D54 IonicContact CG-OD2 3.19Å; H45-D54 IonicContact ND1-OD1 3.53Å; H45-D54 PolarHBondContact ND1-OD1 2.87Å; H45-D54 IonicContact ND1-OD2 2.74Å; H45-D54 PolarHBondContact ND1-OD2 3.39Å
46	Y	88.8	Confident	85.8	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133	-178.8	-63.6	-80.6	0	0	0	110.6	V17 L19 H26 A28 V44 D48 Y49 E55 R61	V17-Y46 HydrophobicContact CB-CE1 3.94Å; V17-Y46 HydrophobicContact CG1-CE1 3.97Å; L19-Y46 HydrophobicContact CD2-CD1 3.94Å; L19-Y46 HydrophobicContact CD2-CE1 3.58Å; H26-Y46 HydrophobicContact CB-CD1 4.28Å; A28-Y46 HydrophobicContact CB-CD1 3.89Å; A28-Y46 HydrophobicContact CB-CE1 4.38Å; A28-Y46 HydrophobicContact CB-CG 4.38Å; V44-Y46 HydrophobicContact CG2-CE1 4.47Å; V44-Y46 HydrophobicContact CG2-CE2 4.03Å; Y46-D48 PolarHBondContact O-N 3.29Å; Y46-Y49 HydrophobicContact CG-CD1 4.45Å; Y46-Y49 WeakPolarHBondContact O-CB 3.3Å; Y46-Y49 PolarHBondContact O-N 2.93Å; Y46-E55 HydrophobicContact CE2-CG 4.15Å; Y46-E55 PolarHBondContact OH-OE1 2.89Å; Y46-R61 PolarHBondContact OH-NH2 3.45Å
47	D	85.3	Confident	86.2	Confident	32 Å²	32	42.9 Å²	42.9	17%	0.171	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.3	177.7	-77.4	-16.2	0	0	0	110.2	K14 H26 N27 Y49	K14-D47 VanDerWaalsContact NZ-CG 3.33Å; K14-D47 IonicContact NZ-OD1 2.77Å; K14-D47 PolarHBondContact NZ-OD1 2.86Å; K14-D47 IonicContact NZ-OD2 3.23Å; K14-D47 PolarHBondContact NZ-OD2 3.41Å; H26-D47 PolarHBondContact CD2-O 3.42Å; H26-D47 PolarHBondContact NE2-O 2.72Å; N27-D47 HydrophobicContact CB-CB 4.37Å; N27-D47 WeakPolarHBondContact CB-OD2 3.41Å; N27-D47 PolarHBondContact O-N 2.91Å; D47-Y49 WeakPolarHBondContact O-CD2 3.49Å; D47-Y49 PolarHBondContact O-N 2.79Å
48	D	81.6	Confident	86.4	Confident	146 Å²	146	41 Å²	41	78%	0.781	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	9	-178.8	-54.7	-47.6	0	0	0	116.1	Y46	Y46-D48 PolarHBondContact O-N 3.29Å
49	Y	79.8	Confident	86.6	Confident	39 Å²	39	34.1 Å²	34.1	15%	0.153	18%	0.177	C	C	.	.	S	Bend	trans	-102.5	155.4	-179.1	-88.1	-138.6	0	0	0	111.7	L19 H26 H45 Y46 D47 K51 L53 Q161	L19-Y49 HydrophobicContact CD2-CE1 4.37Å; H26-Y49 AromaticContact CE1-CE2 3.79Å; H26-Y49 AromaticContact NE2-CD2 3.72Å; H26-Y49 AromaticContact NE2-CE2 3.64Å; H45-Y49 PolarHBondContact CE1-O 3.35Å; Y46-Y49 HydrophobicContact CG-CD1 4.45Å; Y46-Y49 WeakPolarHBondContact O-CB 3.3Å; Y46-Y49 PolarHBondContact O-N 2.93Å; D47-Y49 WeakPolarHBondContact O-CD2 3.49Å; D47-Y49 PolarHBondContact O-N 2.79Å; Y49-K51 PolarHBondContact O-N 2.81Å; Y49-L53 HydrophobicContact CD1-CD1 3.79Å; Y49-L53 HydrophobicContact CE1-CD1 4.49Å; Y49-Q161 CarbonylContact C-O 3.53Å; Y49-Q161 WeakPolarHBondContact CA-O 3.43Å; Y49-Q161 HydrophobicContact CD1-CB 4.45Å; Y49-Q161 HydrophobicContact CD1-CG 4.44Å; Y49-Q161 HydrophobicContact CE1-CB 4.24Å; Y49-Q161 HydrophobicContact CE1-CG 3.91Å
50	N	77.3	Confident	86.8	Confident	5 Å²	5	37 Å²	37	3%	0.027	19%	0.187	C	C	.	.			trans	-65.5	125.4	177.3	-166.8	-52.6	0	0	0	110.4	R52 L53 R160 Q161	N50-R52 PolarHBondContact O-N 3.1Å; N50-R52 WeakPolarHBondContact OD1-CB 3.37Å; N50-R52 VanDerWaalsContact OD1-CG 3.27Å; N50-R52 WeakPolarHBondContact OD1-CG 3.3Å; N50-R52 PolarHBondContact OD1-N 3.4Å; N50-L53 VanDerWaalsContact O-CB 3.31Å; N50-L53 WeakPolarHBondContact O-CB 3.36Å; N50-L53 PolarHBondContact O-N 2.69Å; N50-R160 VanDerWaalsContact CB-O 3.29Å; N50-R160 WeakPolarHBondContact CB-O 3.36Å; N50-Q161 PolarHBondContact N-O 3.48Å
51	K	80.2	Confident	86.9	Confident	28 Å²	28	36.7 Å²	36.7	12%	0.122	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-49.8	-22.9	177	-74.4	-176.1	178.1	175.6	0	115	Y49 L53 D54 Y195 D274	Y49-K51 PolarHBondContact O-N 2.81Å; K51-L53 PolarHBondContact O-N 3.47Å; K51-D54 WeakPolarHBondContact CA-OD1 3.44Å; K51-D54 VanDerWaalsContact O-CB 3.24Å; K51-D54 WeakPolarHBondContact O-CB 3.24Å; K51-D54 PolarHBondContact O-N 3.11Å; K51-D54 VanDerWaalsContact O-N 3.08Å; K51-Y195 HydrophobicContact CB-CE1 3.96Å; K51-Y195 HydrophobicContact CD-CE1 4.06Å; K51-D274 IonicContact NZ-OD1 3.4Å; K51-D274 IonicContact NZ-OD2 2.59Å; K51-D274 PolarHBondContact NZ-OD2 3.21Å
52	R	78.3	Confident	86.9	Confident	34 Å²	34	33.5 Å²	33.5	13%	0.128	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-65.8	-16.5	175.1	-62.2	177.1	-154.4	151.3	13.7	113.3	N50 D54 P159 M165 W194 L358	N50-R52 PolarHBondContact O-N 3.1Å; N50-R52 WeakPolarHBondContact OD1-CB 3.37Å; N50-R52 VanDerWaalsContact OD1-CG 3.27Å; N50-R52 WeakPolarHBondContact OD1-CG 3.3Å; N50-R52 PolarHBondContact OD1-N 3.4Å; R52-D54 VanDerWaalsContact C-N 3.35Å; R52-P159 HydrophobicContact CB-CB 4.03Å; R52-P159 HydrophobicContact CB-CG 3.76Å; R52-M165 PolarHBondContact NH2-SD 3.48Å; R52-W194 HydrophobicContact CG-CB 4.06Å; R52-W194 HydrophobicContact CG-CD2 3.8Å; R52-W194 HydrophobicContact CG-CE3 4.21Å; R52-W194 HydrophobicContact CG-CG 3.73Å; R52-L358 VanDerWaalsContact NH2-CD1 3.28Å
53	L	82.9	Confident	86.8	Confident	39 Å²	39	35.4 Å²	35.4	20%	0.204	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-88.6	-5.2	176	-59.3	177.2	0	0	0	112.4	Y49 N50 K51 E55 P159 Q161	Y49-L53 HydrophobicContact CD1-CD1 3.79Å; Y49-L53 HydrophobicContact CE1-CD1 4.49Å; N50-L53 VanDerWaalsContact O-CB 3.31Å; N50-L53 WeakPolarHBondContact O-CB 3.36Å; N50-L53 PolarHBondContact O-N 2.69Å; K51-L53 PolarHBondContact O-N 3.47Å; L53-E55 PolarHBondContact O-N 3.34Å; L53-P159 HydrophobicContact CD2-CB 4.11Å; L53-P159 HydrophobicContact CD2-CG 4.09Å; L53-P159 HydrophobicContact CG-CB 4.49Å; L53-Q161 HydrophobicContact CD1-CG 4.41Å
54	D	88.4	Confident	86.7	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.032	19%	0.194	C	C	.	.			trans	-61.3	136.4	176.4	-62.4	0.4	0	0	0	111	Y43 V44 H45 K51 R52 R179	Y43-D54 HydrophobicContact CE1-CB 3.61Å; Y43-D54 VanDerWaalsContact OH-CB 3.31Å; Y43-D54 WeakPolarHBondContact OH-CB 3.39Å; V44-D54 WeakPolarHBondContact O-CA 3.49Å; V44-D54 WeakPolarHBondContact O-CB 3.42Å; H45-D54 IonicContact CE1-OD1 3.7Å; H45-D54 IonicContact CG-OD1 3.03Å; H45-D54 IonicContact CG-OD2 3.19Å; H45-D54 IonicContact ND1-OD1 3.53Å; H45-D54 PolarHBondContact ND1-OD1 2.87Å; H45-D54 IonicContact ND1-OD2 2.74Å; H45-D54 PolarHBondContact ND1-OD2 3.39Å; K51-D54 WeakPolarHBondContact CA-OD1 3.44Å; K51-D54 VanDerWaalsContact O-CB 3.24Å; K51-D54 WeakPolarHBondContact O-CB 3.24Å; K51-D54 PolarHBondContact O-N 3.11Å; K51-D54 VanDerWaalsContact O-N 3.08Å; R52-D54 VanDerWaalsContact C-N 3.35Å; D54-R179 PolarHBondContact O-NH1 3.16Å
55	E	90.6	Very high	86.5	Confident	40 Å²	40	43.3 Å²	43.3	19%	0.187	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.1	-169.8	56.3	169.5	158.5	0	0	112.5	P20 Y43 V44 Y46 L53 V57 R61	P20-E55 WeakPolarHBondContact CG-OE1 3.04Å; Y43-E55 WeakPolarHBondContact CA-O 3.29Å; V44-E55 HydrophobicContact CG2-CG 4.27Å; V44-E55 PolarHBondContact N-O 3.36Å; V44-E55 PolarHBondContact O-N 3.34Å; Y46-E55 HydrophobicContact CE2-CG 4.15Å; Y46-E55 PolarHBondContact OH-OE1 2.89Å; L53-E55 PolarHBondContact O-N 3.34Å; E55-V57 HydrophobicContact CG-CG1 3.75Å; E55-R61 IonicContact OE1-CZ 2.77Å; E55-R61 IonicContact OE1-NH1 3.98Å; E55-R61 PolarHBondContact OE1-NH1 2.9Å; E55-R61 IonicContact OE1-NH2 2.81Å; E55-R61 PolarHBondContact OE1-NH2 3.25Å; E55-R61 IonicContact OE2-CZ 3.79Å; E55-R61 IonicContact OE2-NH1 3.1Å; E55-R61 PolarHBondContact OE2-NH1 3.33Å; E55-R61 IonicContact OE2-NH2 3.14Å
56	W	90.4	Very high	86.4	Confident	63 Å²	63	50.3 Å²	50.3	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.9	166.8	-72.1	101.3	0	0	0	108.6	R34 Y42 Y43	R34-W56 HydrophobicContact CB-CE3 4.31Å; R34-W56 HydrophobicContact CB-CH2 3.71Å; R34-W56 HydrophobicContact CB-CZ2 4.48Å; R34-W56 HydrophobicContact CB-CZ3 3.61Å; Y42-W56 CarbonylContact O-C 3.54Å; Y42-W56 WeakPolarHBondContact O-CA 3.22Å; Y43-W56 AromaticContact CD2-CD1 3.73Å; Y43-W56 AromaticContact CD2-CD2 3.85Å; Y43-W56 HydrophobicContact CD2-CD2 3.85Å; Y43-W56 AromaticContact CD2-CE2 3.58Å; Y43-W56 AromaticContact CD2-CG 3.93Å; Y43-W56 HydrophobicContact CD2-CG 3.93Å; Y43-W56 HydrophobicContact CD2-CZ2 4.12Å; Y43-W56 AromaticContact CD2-NE1 3.49Å; Y43-W56 HydrophobicContact CG-CD2 4.41Å; Y43-W56 HydrophobicContact CG-CZ2 4.41Å; Y43-W56 VanDerWaalsContact N-CE3 3.3Å
57	V	91.2	Very high	86.3	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149	179	-60.7	0	0	0	0	110.8	V17 Y41 Y42 V44 E55 R61 L62	V17-V57 HydrophobicContact CG1-CG1 4.47Å; V17-V57 HydrophobicContact CG1-CG2 4.22Å; Y41-V57 CarbonylContact C-O 3.42Å; Y41-V57 VanDerWaalsContact CA-O 3.32Å; Y41-V57 WeakPolarHBondContact CA-O 3.26Å; Y42-V57 PolarHBondContact N-O 2.97Å; Y42-V57 WeakPolarHBondContact O-CG2 3.36Å; Y42-V57 PolarHBondContact O-N 3.24Å; V44-V57 HydrophobicContact CB-CG2 4.36Å; V44-V57 HydrophobicContact CG1-CG2 3.57Å; V44-V57 HydrophobicContact CG2-CG1 3.86Å; V44-V57 HydrophobicContact CG2-CG2 3.86Å; E55-V57 HydrophobicContact CG-CG1 3.75Å; V57-R61 HydrophobicContact CB-CB 4.34Å; V57-R61 VanDerWaalsContact CG1-CZ 3.44Å; V57-R61 VanDerWaalsContact CG1-NH1 3.27Å; V57-L62 HydrophobicContact CB-CD1 4.41Å; V57-L62 HydrophobicContact CG2-CD1 3.54Å
58	S	90.1	Very high	86.5	Confident	34 Å²	34	57.1 Å²	57.1	24%	0.238	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	156.5	176	49.1	0	0	0	0	111.3	D60 R61 L62	S58-D60 WeakPolarHBondContact CB-OD1 3.26Å; S58-D60 PolarHBondContact O-N 3.29Å; S58-D60 PolarHBondContact OG-OD1 3.39Å; S58-R61 PolarHBondContact O-N 3.5Å; S58-L62 WeakPolarHBondContact O-CD1 3.48Å
59	A	87.7	Confident	86.6	Confident	32 Å²	32	58 Å²	58	26%	0.264	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54.6	-27.2	-175.7	0	0	0	0	0	114.8	Y42 R61 L62 F64	Y42-A59 HydrophobicContact CE2-CB 4.04Å; A59-R61 PolarHBondContact O-N 3.34Å; A59-L62 PolarHBondContact O-N 3.17Å; A59-F64 HydrophobicContact CB-CE2 4.19Å; A59-F64 HydrophobicContact CB-CZ 4.38Å; A59-F64 WeakPolarHBondContact O-CE2 3.46Å
60	D	89.2	Confident	86.4	Confident	128 Å²	128	59.9 Å²	59.9	68%	0.684	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-68.5	-19.7	177.7	57.9	-68.8	0	0	0	113.8	S58	S58-D60 WeakPolarHBondContact CB-OD1 3.26Å; S58-D60 PolarHBondContact O-N 3.29Å; S58-D60 PolarHBondContact OG-OD1 3.39Å
61	R	90.5	Very high	85.9	Confident	34 Å²	34	67.7 Å²	67.7	13%	0.128	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-84.6	-10	174.9	-68.1	-178.4	60.6	-169.1	-7.2	113	V17 K18 P20 Y46 E55 V57 S58 A59	V17-R61 CarbonylContact C-O 3.59Å; V17-R61 WeakPolarHBondContact CA-O 3.2Å; V17-R61 HydrophobicContact CG1-CB 4.32Å; K18-R61 HydrophobicContact CB-CB 4.36Å; K18-R61 PolarHBondContact N-O 3.2Å; K18-R61 VanDerWaalsContact O-CZ 3.23Å; K18-R61 PolarHBondContact O-NE 3.25Å; K18-R61 PolarHBondContact O-NH2 3.35Å; P20-R61 VanDerWaalsContact CD-NH2 3.3Å; Y46-R61 PolarHBondContact OH-NH2 3.45Å; E55-R61 IonicContact OE1-CZ 2.77Å; E55-R61 IonicContact OE1-NH1 3.98Å; E55-R61 PolarHBondContact OE1-NH1 2.9Å; E55-R61 IonicContact OE1-NH2 2.81Å; E55-R61 PolarHBondContact OE1-NH2 3.25Å; E55-R61 IonicContact OE2-CZ 3.79Å; E55-R61 IonicContact OE2-NH1 3.1Å; E55-R61 PolarHBondContact OE2-NH1 3.33Å; E55-R61 IonicContact OE2-NH2 3.14Å; V57-R61 HydrophobicContact CB-CB 4.34Å; V57-R61 VanDerWaalsContact CG1-CZ 3.44Å; V57-R61 VanDerWaalsContact CG1-NH1 3.27Å; S58-R61 PolarHBondContact O-N 3.5Å; A59-R61 PolarHBondContact O-N 3.34Å
62	L	90.5	Very high	84.4	Confident	12 Å²	12	76 Å²	76	6%	0.063	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-101.2	125.4	-173.4	-78.2	83.4	0	0	0	111.1	L15 V17 I30 Y42 V57 S58 A59 F64	L15-L62 HydrophobicContact CD1-CB 3.59Å; L15-L62 HydrophobicContact CD1-CD2 3.8Å; L15-L62 HydrophobicContact CD1-CG 3.86Å; L15-L62 HydrophobicContact CD2-CD2 4.35Å; V17-L62 HydrophobicContact CG2-CG 4.27Å; I30-L62 HydrophobicContact CD1-CD2 3.79Å; I30-L62 HydrophobicContact CG1-CD2 4.34Å; Y42-L62 HydrophobicContact CD1-CD2 4.42Å; Y42-L62 HydrophobicContact CD2-CD1 3.86Å; Y42-L62 HydrophobicContact CD2-CD2 3.6Å; Y42-L62 HydrophobicContact CD2-CG 4.42Å; Y42-L62 HydrophobicContact CE2-CD2 4.17Å; Y42-L62 HydrophobicContact CG-CD1 4.5Å; Y42-L62 HydrophobicContact CG-CD2 3.72Å; V57-L62 HydrophobicContact CB-CD1 4.41Å; V57-L62 HydrophobicContact CG2-CD1 3.54Å; S58-L62 WeakPolarHBondContact O-CD1 3.48Å; A59-L62 PolarHBondContact O-N 3.17Å; L62-F64 HydrophobicContact CB-CD2 4.24Å; L62-F64 HydrophobicContact CB-CE1 4.09Å; L62-F64 HydrophobicContact CB-CE2 3.72Å; L62-F64 HydrophobicContact CB-CZ 3.64Å; L62-F64 HydrophobicContact CD2-CE1 3.84Å; L62-F64 HydrophobicContact CD2-CZ 3.79Å; L62-F64 HydrophobicContact CG-CZ 4.25Å; L62-F64 PolarHBondContact O-N 2.91Å
63	D	89.4	Confident	82.5	Confident	41 Å²	41	84.2 Å²	84.2	22%	0.219	41%	0.408	C	S	.	.			trans	-86.6	86.1	169.6	-174.6	2.9	0	0	0	111.1	P16 F25 S65 R66	P16-D63 HydrophobicContact CB-CB 4.26Å; P16-D63 HydrophobicContact CG-CB 4.46Å; P16-D63 PolarHBondContact O-N 2.88Å; F25-D63 HydrophobicContact CD1-CB 4.36Å; F25-D63 HydrophobicContact CE1-CB 4.16Å; D63-S65 PolarHBondContact O-N 2.89Å; D63-S65 VanDerWaalsContact O-N 3.15Å; D63-S65 VanDerWaalsContact OD1-CB 3.28Å; D63-S65 WeakPolarHBondContact OD1-CB 3.37Å; D63-S65 PolarHBondContact OD1-N 3.25Å; D63-S65 PolarHBondContact OD1-OG 3.22Å; D63-S65 PolarHBondContact OD2-OG 3.26Å; D63-R66 PolarHBondContact O-N 3.31Å; D63-R66 WeakPolarHBondContact OD2-CD 3.47Å; D63-R66 IonicContact OD2-NE 3.35Å
64	F	87.9	Confident	80.2	Confident	69 Å²	69	86.5 Å²	86.5	30%	0.303	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-64.8	-13.2	178	-62.9	-73.4	0	0	0	114.2	I10 L15 Y42 A59 L62 R66	I10-F64 HydrophobicContact CD1-CD1 4.32Å; I10-F64 HydrophobicContact CD1-CE1 3.61Å; L15-F64 HydrophobicContact CD1-CD1 4.34Å; Y42-F64 AromaticContact CE2-CZ 3.87Å; Y42-F64 HydrophobicContact CE2-CZ 3.87Å; A59-F64 HydrophobicContact CB-CE2 4.19Å; A59-F64 HydrophobicContact CB-CZ 4.38Å; A59-F64 WeakPolarHBondContact O-CE2 3.46Å; L62-F64 HydrophobicContact CB-CD2 4.24Å; L62-F64 HydrophobicContact CB-CE1 4.09Å; L62-F64 HydrophobicContact CB-CE2 3.72Å; L62-F64 HydrophobicContact CB-CZ 3.64Å; L62-F64 HydrophobicContact CD2-CE1 3.84Å; L62-F64 HydrophobicContact CD2-CZ 3.79Å; L62-F64 HydrophobicContact CG-CZ 4.25Å; L62-F64 PolarHBondContact O-N 2.91Å; F64-R66 PolarHBondContact O-N 3.27Å
65	S	87.3	Confident	77.4	Confident	99 Å²	99	93 Å²	93	69%	0.692	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-70.7	-22.6	178.4	76.2	0	0	0	0	112.4	D63	D63-S65 PolarHBondContact O-N 2.89Å; D63-S65 VanDerWaalsContact O-N 3.15Å; D63-S65 VanDerWaalsContact OD1-CB 3.28Å; D63-S65 WeakPolarHBondContact OD1-CB 3.37Å; D63-S65 PolarHBondContact OD1-N 3.25Å; D63-S65 PolarHBondContact OD1-OG 3.22Å; D63-S65 PolarHBondContact OD2-OG 3.26Å
66	R	86.7	Confident	74.6	Confident	170 Å²	170	100 Å²	100	64%	0.642	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-114.5	36.5	-177	-63.7	178.2	-177	-178.3	3.6	112.5	P16 D63 F64 E68	P16-R66 HydrophobicContact CG-CB 3.91Å; D63-R66 PolarHBondContact O-N 3.31Å; D63-R66 WeakPolarHBondContact OD2-CD 3.47Å; D63-R66 IonicContact OD2-NE 3.35Å; F64-R66 PolarHBondContact O-N 3.27Å; R66-E68 PolarHBondContact O-N 2.61Å
67	I	88.1	Confident	71.6	Confident	52 Å²	52	104.8 Å²	104.8	27%	0.267	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-75.9	123.1	179.8	-168.1	170.4	0	0	0	111.8	I10 C13	I10-I67 HydrophobicContact CB-CD1 4.01Å; I10-I67 HydrophobicContact CG2-CD1 3.71Å; C13-I67 HydrophobicContact CB-CD1 3.74Å; C13-I67 HydrophobicContact CB-CG1 3.71Å
68	E	87.9	Confident	68.8	Low	127 Å²	127	110.3 Å²	110.3	59%	0.593	56%	0.558	S	S	*	*	B	Isolated β-bridge	trans	-102.1	119	173.2	-65.2	-179.1	-175.1	0	0	109.2	C13 K14 R66	C13-E68 CarbonylContact C-O 3.54Å; C13-E68 VanDerWaalsContact CA-O 3.31Å; C13-E68 WeakPolarHBondContact CA-O 3.48Å; C13-E68 WeakPolarHBondContact CB-O 3.35Å; K14-E68 HydrophobicContact CB-CB 4.3Å; K14-E68 PolarHBondContact N-O 2.98Å; K14-E68 PolarHBondContact O-N 3.11Å; R66-E68 PolarHBondContact O-N 2.61Å
69	R	84	Confident	66.1	Low	164 Å²	164	115 Å²	115	62%	0.619	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-89.1	143.4	178.3	-61.4	-171.4	175.5	-162.3	-4.2	110	L71	R69-L71 PolarHBondContact O-N 2.84Å
70	P	75.3	Confident	63.3	Low	79 Å²	79	118.5 Å²	118.5	51%	0.513	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-58.6	127.2	177	21.4	-29	0	0	0	109.2	G12 K72	G12-P70 WeakPolarHBondContact O-CD 3.38Å; P70-K72 PolarHBondContact O-N 3.07Å
71	L	66.5	Low	60.4	Low	169 Å²	169	117.3 Å²	117.3	89%	0.885	60%	0.602	S	S	*	*			trans	-58.8	106.3	174.3	-72.3	162.8	0	0	0	107.4	R69 K73	R69-L71 PolarHBondContact O-N 2.84Å; L71-K73 PolarHBondContact O-N 3.42Å
72	K	50.2	Low	57.5	Low	202 Å²	202	121.3 Å²	121.3	88%	0.878	63%	0.63	S	S	*	*			trans	-55.6	111.2	167.9	-75.2	-175.9	177.2	-177.9	0	105.9	P70 S74	P70-K72 PolarHBondContact O-N 3.07Å; K72-S74 VanDerWaalsContact C-N 3.25Å; K72-S74 PolarHBondContact O-N 2.92Å
73	K	38.8	Very low	54.5	Low	206 Å²	206	129.7 Å²	129.7	90%	0.896	67%	0.667	S	S	*	*			trans	-54.9	99.9	167.5	-81.8	179.5	177.8	172.2	0	105.7	L71 T75	L71-K73 PolarHBondContact O-N 3.42Å; K73-T75 PolarHBondContact O-N 3.45Å; K73-T75 VanDerWaalsContact O-N 3.1Å
74	S	33.2	Very low	51.5	Low	88 Å²	88	132.4 Å²	132.4	62%	0.615	69%	0.689	S	S	*	*			trans	-53.6	120.5	169.2	53.9	0	0	0	0	105.5	K72 K76	K72-S74 VanDerWaalsContact C-N 3.25Å; K72-S74 PolarHBondContact O-N 2.92Å; S74-K76 PolarHBondContact O-N 3.06Å
75	T	30.6	Very low	48.5	Very low	143 Å²	143	137.6 Å²	137.6	88%	0.877	72%	0.719	S	S	*	*			trans	-54.6	85	171.5	-13.7	0	0	0	0	107.2	K73 E77	K73-T75 PolarHBondContact O-N 3.45Å; K73-T75 VanDerWaalsContact O-N 3.1Å; T75-E77 PolarHBondContact O-N 3.24Å; T75-E77 VanDerWaalsContact O-N 3.13Å
76	K	30.2	Very low	45.6	Very low	186 Å²	186	138.2 Å²	138.2	81%	0.809	72%	0.723	S	S	*	*			trans	-73.9	104.7	165.8	-80	-168.5	175.1	-175.5	0	104.2	S74	S74-K76 PolarHBondContact O-N 3.06Å
77	E	29.3	Very low	42.7	Very low	163 Å²	163	135.2 Å²	135.2	76%	0.762	73%	0.728	S	S	*	*			trans	-42	144.1	166.3	-71.8	-179.7	156.5	0	0	109.9	T75 V79	T75-E77 PolarHBondContact O-N 3.24Å; T75-E77 VanDerWaalsContact O-N 3.13Å; E77-V79 PolarHBondContact O-N 3.01Å
78	P	31.5	Very low	39.6	Very low	119 Å²	119	139 Å²	139	77%	0.773	75%	0.754	S	S	*	*			trans	-65.6	101.4	-167.3	27.4	-32.9	0	0	0	109.1	T80	P78-T80 VanDerWaalsContact C-N 3.25Å; P78-T80 PolarHBondContact O-N 2.85Å
79	V	32.5	Very low	36.8	Very low	133 Å²	133	142.1 Å²	142.1	81%	0.806	77%	0.769	S	S	*	*			trans	-67.4	97	161.6	-175.3	0	0	0	0	105.1	E77	E77-V79 PolarHBondContact O-N 3.01Å
80	T	29.3	Very low	34	Very low	105 Å²	105	141.8 Å²	141.8	64%	0.644	78%	0.779	S	S	*	*			trans	-51.7	125	169.3	31.6	0	0	0	0	108.1	P78 V82	P78-T80 VanDerWaalsContact C-N 3.25Å; P78-T80 PolarHBondContact O-N 2.85Å; T80-V82 PolarHBondContact O-N 3.14Å
81	P	29.4	Very low	31.8	Very low	103 Å²	103	147.2 Å²	147.2	67%	0.669	80%	0.797	S	S	*	*			trans	-75.2	94.6	-176.5	30.1	-31	0	0	0	107.9	F83	P81-F83 VanDerWaalsContact C-N 3.3Å; P81-F83 HydrophobicContact CB-CD2 4.17Å; P81-F83 HydrophobicContact CB-CE2 3.98Å; P81-F83 HydrophobicContact CG-CE2 4.41Å; P81-F83 PolarHBondContact O-N 2.78Å
82	V	29.6	Very low	29.8	Very low	118 Å²	118	145.3 Å²	145.3	72%	0.715	79%	0.792	S	S	*	*			trans	-74.9	90.6	167.9	-178.8	0	0	0	0	107	T80 S84	T80-V82 PolarHBondContact O-N 3.14Å; V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.24Å
83	F	27.2	Very low	28.8	Very low	188 Å²	188	143.1 Å²	143.1	83%	0.825	79%	0.789	S	S	*	*			trans	-65.9	91.9	165.3	-80.4	-87.7	0	0	0	108.3	P81 L85	P81-F83 VanDerWaalsContact C-N 3.3Å; P81-F83 HydrophobicContact CB-CD2 4.17Å; P81-F83 HydrophobicContact CB-CE2 3.98Å; P81-F83 HydrophobicContact CG-CE2 4.41Å; P81-F83 PolarHBondContact O-N 2.78Å; F83-L85 PolarHBondContact O-N 2.91Å
84	S	27	Very low	28.1	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	78%	0.777	S	S	*	*			trans	-86.6	102.3	169.6	25.2	0	0	0	0	108	V82 S86	V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.24Å; S84-S86 PolarHBondContact O-N 2.76Å
85	L	23.4	Very low	27.7	Very low	178 Å²	178	138.8 Å²	138.8	93%	0.932	79%	0.785	S	S	*	*			trans	-65.9	96.5	164.6	-76.2	157.9	0	0	0	107.2	F83	F83-L85 PolarHBondContact O-N 2.91Å
86	S	26.3	Very low	27.8	Very low	112 Å²	112	137 Å²	137	78%	0.783	79%	0.785	S	S	*	*			trans	-92.5	119.1	170	42.1	0	0	0	0	109.3	S84	S84-S86 PolarHBondContact O-N 2.76Å
87	S	26.4	Very low	27.5	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	79%	0.785	S	S	*	*			trans	-62.7	143	170.6	42.1	0	0	0	0	111.2	E89	S87-E89 PolarHBondContact O-N 3.1Å
88	T	24.1	Very low	27.6	Very low	132 Å²	132	136.8 Å²	136.8	81%	0.81	79%	0.791	S	S	*	*			trans	-43.8	120.4	167.7	47.3	0	0	0	0	113.2
89	E	28.5	Very low	27.2	Very low	193 Å²	193	141.4 Å²	141.4	90%	0.902	79%	0.793	S	S	*	*			trans	-140.7	118.3	144.8	-70.1	-167.2	160.5	0	0	108.5	S87	S87-E89 PolarHBondContact O-N 3.1Å
90	D	24.8	Very low	26.7	Very low	156 Å²	156	141.3 Å²	141.3	83%	0.834	79%	0.792	S	S	*	*			trans	-62.5	129.9	171	-67.9	-58.3	0	0	0	110
91	E	28.4	Very low	26.8	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	80%	0.803	S	S	*	*			trans	-145.4	129.4	144.4	-84.4	-147.7	147.5	0	0	111.8
92	V	24.8	Very low	26.5	Very low	129 Å²	129	146.7 Å²	146.7	78%	0.782	82%	0.815	S	S	*	*			trans	-77.3	148.7	174.6	174.1	0	0	0	0	109.2
93	I	28.7	Very low	26.5	Very low	156 Å²	156	146.2 Å²	146.2	80%	0.8	82%	0.817	S	S	*	*			trans	166.9	101.5	145.6	-84.9	152.9	0	0	0	107.6
94	S	25.7	Very low	26.5	Very low	94 Å²	94	144 Å²	144	66%	0.657	81%	0.814	S	S	*	*				81.9	102.8	102	178.5	0	0	0	0	115.9
95	S	24.7	Very low	26.5	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	82%	0.819	S	S	*	*				28.1	121.5	129.2	30.7	0	0	0	0	120.6
96	A	32.1	Very low	26.8	Very low	106 Å²	106	145.5 Å²	145.5	88%	0.876	81%	0.814	S	S	*	*			trans	-150.5	121.6	139.6	0	0	0	0	0	110.3
97	E	24.1	Very low	27	Very low	176 Å²	176	145.9 Å²	145.9	82%	0.822	81%	0.814	S	S	*	*			trans	-74	158.4	175.4	-55.8	171.8	125	0	0	111.8
98	L	30.3	Very low	27.1	Very low	167 Å²	167	146.2 Å²	146.2	87%	0.874	81%	0.814	S	S	*	*			trans	166.1	90.7	145.6	-89.6	151.4	0	0	0	108.3
99	R	24.6	Very low	27.3	Very low	217 Å²	217	148.2 Å²	148.2	82%	0.819	82%	0.818	S	S	*	*				64.3	109.1	94.5	-73.4	-166.9	-179.9	-169.1	1.4	116.8
100	T	22.2	Very low	27.2	Very low	130 Å²	130	148.4 Å²	148.4	80%	0.798	82%	0.816	S	S	*	*			trans	66.4	115.2	131.8	60.6	0	0	0	0	120.8
101	S	30.9	Very low	27.2	Very low	124 Å²	124	152 Å²	152	87%	0.867	82%	0.82	S	S	*	*				-168.9	126.8	119.4	53.6	0	0	0	0	111.1
102	E	23.6	Very low	27	Very low	197 Å²	197	154.4 Å²	154.4	92%	0.921	82%	0.821	S	S	*	*			trans	-68.2	150.2	176.8	-60.8	166.7	133.7	0	0	112.9
103	S	29.3	Very low	27.1	Very low	108 Å²	108	153.3 Å²	153.3	76%	0.755	82%	0.819	S	S	*	*				177.9	114.2	127.4	60.1	0	0	0	0	111.8
104	D	27.4	Very low	26.9	Very low	141 Å²	141	151.7 Å²	151.7	75%	0.754	82%	0.821	S	S	*	*			trans	59.4	103.6	139.4	-60.8	-31.4	0	0	0	123.1
105	L	26.5	Very low	26.9	Very low	153 Å²	153	152.2 Å²	152.2	80%	0.801	83%	0.825	S	S	*	*				54.1	92.1	117.8	-61.3	170.4	0	0	0	117.9
106	N	29	Very low	26.9	Very low	155 Å²	155	152.7 Å²	152.7	83%	0.829	83%	0.828	S	S	*	*			trans	-145.2	127.2	136.5	-89.7	-46	0	0	0	108.6	P108	N106-P108 VanDerWaalsContact O-CD 3.31Å; N106-P108 WeakPolarHBondContact O-CD 3.31Å
107	P	30.3	Very low	26.8	Very low	120 Å²	120	152.8 Å²	152.8	78%	0.779	82%	0.823	S	S	*	*			trans	-77.2	119.9	-178.8	29.9	-30.1	0	0	0	109.5	L109	P107-L109 PolarHBondContact O-N 3.13Å
108	P	30.2	Very low	26.9	Very low	114 Å²	114	149.8 Å²	149.8	74%	0.74	82%	0.821	S	S	*	*			trans	-82.5	119.9	174	31.7	-27.9	0	0	0	108.9	N106 K110	N106-P108 VanDerWaalsContact O-CD 3.31Å; N106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-K110 PolarHBondContact O-N 2.88Å
109	L	28	Very low	26.7	Very low	173 Å²	173	150.1 Å²	150.1	91%	0.906	82%	0.823	S	S	*	*			trans	-56.8	109.5	167.2	-76.5	162.9	0	0	0	108.6	P107 Y111	P107-L109 PolarHBondContact O-N 3.13Å; L109-Y111 PolarHBondContact O-N 3.34Å
110	K	26.6	Very low	26.8	Very low	197 Å²	197	145.6 Å²	145.6	86%	0.857	82%	0.819	S	S	*	*			trans	-64.8	102.1	179.2	-74.5	177.4	175.9	175.4	0	109.7	P108 R112	P108-K110 PolarHBondContact O-N 2.88Å; K110-R112 PolarHBondContact O-N 2.93Å
111	Y	23.5	Very low	27	Very low	232 Å²	232	148 Å²	148	91%	0.91	82%	0.822	S	S	*	*			trans	-59.5	103.5	158.3	-113.2	-99	0	0	0	108.1	L109 S113	L109-Y111 PolarHBondContact O-N 3.34Å; Y111-S113 PolarHBondContact O-N 3.42Å
112	R	24.6	Very low	26.8	Very low	243 Å²	243	150.6 Å²	150.6	92%	0.917	83%	0.825	S	S	*	*			trans	-93.3	92.2	175.8	-146.7	176	-174.2	-178.7	0.4	107.4	K110 S114	K110-R112 PolarHBondContact O-N 2.93Å; R112-S114 PolarHBondContact O-N 3.4Å
113	S	26.2	Very low	26.9	Very low	106 Å²	106	151 Å²	151	74%	0.741	82%	0.823	S	S	*	*			trans	-65.1	109	167.7	38	0	0	0	0	109	Y111 S115	Y111-S113 PolarHBondContact O-N 3.42Å; S113-S115 PolarHBondContact O-N 2.98Å; S113-S115 VanDerWaalsContact O-N 3.14Å
114	S	25.7	Very low	26.8	Very low	122 Å²	122	157.8 Å²	157.8	85%	0.853	83%	0.833	S	S	*	*			trans	-77.3	90.6	170.2	50.5	0	0	0	0	109	R112	R112-S114 PolarHBondContact O-N 3.4Å
115	S	26.2	Very low	26.8	Very low	106 Å²	106	161.1 Å²	161.1	74%	0.741	84%	0.84	S	S	*	*			trans	-75.7	126.1	164.8	42.4	0	0	0	0	109.6	S113 S117	S113-S115 PolarHBondContact O-N 2.98Å; S113-S115 VanDerWaalsContact O-N 3.14Å; S115-S117 PolarHBondContact O-N 3.38Å
116	S	24.9	Very low	27	Very low	119 Å²	119	165.5 Å²	165.5	83%	0.832	85%	0.846	S	S	*	*			trans	-61	109.7	175.2	52.1	0	0	0	0	111.1
117	S	28.4	Very low	27.2	Very low	109 Å²	109	163.5 Å²	163.5	76%	0.762	84%	0.842	S	S	*	*			trans	-101.7	107	171	56.9	0	0	0	0	110.2	S115	S115-S117 PolarHBondContact O-N 3.38Å
118	S	27.3	Very low	27.6	Very low	113 Å²	113	163.7 Å²	163.7	79%	0.79	84%	0.843	S	S	*	*			trans	-54.8	129.2	173.1	-53.9	0	0	0	0	112.1	T120	S118-T120 PolarHBondContact O-N 2.9Å
119	L	26	Very low	27.5	Very low	174 Å²	174	165.1 Å²	165.1	91%	0.911	84%	0.844	S	S	*	*			trans	-77	105.6	176.7	-117.5	76.6	0	0	0	110.2
120	T	25.4	Very low	27.8	Very low	121 Å²	121	164.6 Å²	164.6	74%	0.742	84%	0.842	S	S	*	*			trans	-126.9	110.8	158.3	42.2	0	0	0	0	110.5	S118	S118-T120 PolarHBondContact O-N 2.9Å
121	Q	28.2	Very low	28.3	Very low	181 Å²	181	161.6 Å²	161.6	85%	0.846	83%	0.834	S	S	*	*			trans	42.4	116.3	144.2	-55.6	-175.1	19.5	0	0	118.7
122	L	26.7	Very low	28.7	Very low	179 Å²	179	159.3 Å²	159.3	94%	0.937	83%	0.826	S	S	*	*			trans	-151	107	140.2	-99.9	142.6	0	0	0	110.1
123	K	25.5	Very low	29.3	Very low	204 Å²	204	154.2 Å²	154.2	89%	0.887	81%	0.812	S	S	*	*			trans	-62.4	129.4	168	-77.6	172.7	172	171.6	0	109.9
124	R	26.4	Very low	29.8	Very low	252 Å²	252	151 Å²	151	95%	0.951	80%	0.796	S	S	*	*			trans	-147.3	117.1	151.6	-117.9	173	178.3	163.2	-0.2	110.3
125	K	28	Very low	30.3	Very low	211 Å²	211	148 Å²	148	92%	0.917	77%	0.774	S	S	*	*			trans	-68.5	129.8	174.5	-74	177.6	168.8	-177.6	0	110.3
126	R	30.6	Very low	31.1	Very low	244 Å²	244	147.8 Å²	147.8	92%	0.921	76%	0.763	S	S	*	*			trans	-144.8	155.3	157.9	-83.3	-167.3	-178.7	175.2	-0.1	109.8
127	P	32.8	Very low	31.3	Very low	114 Å²	114	148.9 Å²	148.9	74%	0.74	75%	0.754	S	S	*	*			trans	-86.2	167.9	-159.4	22	-8.1	0	0	0	113.8	D129	P127-D129 PolarHBondContact O-N 3.37Å
128	P	38.8	Very low	31.5	Very low	124 Å²	124	149.4 Å²	149.4	81%	0.805	75%	0.748	S	S	*	*			trans	-92	105.6	-159.7	34.5	-26.9	0	0	0	110.8
129	D	28.6	Very low	31.4	Very low	143 Å²	143	149.4 Å²	149.4	77%	0.765	74%	0.744	S	S	*	*			trans	-104	140.8	155.3	-76.4	-37.6	0	0	0	107.7	P127 I131	P127-D129 PolarHBondContact O-N 3.37Å; D129-I131 WeakPolarHBondContact O-CG1 3.31Å; D129-I131 PolarHBondContact O-N 2.93Å
130	D	33.6	Very low	31.6	Very low	162 Å²	162	147.6 Å²	147.6	87%	0.866	73%	0.734	S	S	*	*			trans	-51.3	88.1	-174.7	-82.3	-45.4	0	0	0	112.6
131	I	36.4	Very low	31.7	Very low	134 Å²	134	150.4 Å²	150.4	69%	0.687	74%	0.739	S	S	*	*			trans	-95.9	107.8	174.7	-64.4	165	0	0	0	107.9	D129 E133	D129-I131 WeakPolarHBondContact O-CG1 3.31Å; D129-I131 PolarHBondContact O-N 2.93Å; I131-E133 VanDerWaalsContact C-N 3.28Å; I131-E133 HydrophobicContact CG2-CG 3.77Å; I131-E133 PolarHBondContact O-N 3.01Å
132	Y	32	Very low	31.9	Very low	185 Å²	185	149.5 Å²	149.5	73%	0.725	74%	0.74	S	S	*	*			trans	-63.3	89.2	161.9	-168.3	-92.6	0	0	0	108.1	G134	Y132-G134 PolarHBondContact O-N 3.22Å
133	E	38.2	Very low	32.5	Very low	136 Å²	136	143.9 Å²	143.9	64%	0.636	71%	0.711	S	S	*	*			trans	-75.3	109.1	169.2	-71.6	-165.4	162.6	0	0	107.7	I131	I131-E133 VanDerWaalsContact C-N 3.28Å; I131-E133 HydrophobicContact CG2-CG 3.77Å; I131-E133 PolarHBondContact O-N 3.01Å
134	G	35.8	Very low	33.2	Very low	38 Å²	38	138.1 Å²	138.1	39%	0.392	69%	0.689	S	S	.	*			trans	-57.1	179.1	175.7	0	0	0	0	0	113	Y132 I136	Y132-G134 PolarHBondContact O-N 3.22Å; G134-I136 PolarHBondContact O-N 3.17Å
135	P	37.2	Very low	33.8	Very low	60 Å²	60	133 Å²	133	39%	0.39	68%	0.68	S	S	.	*			trans	-52.2	136	-170	21	-31.7	0	0	0	111	H137	P135-H137 VanDerWaalsContact C-N 3.26Å; P135-H137 PolarHBondContact O-N 2.92Å
136	I	41.7	Very low	34.6	Very low	101 Å²	101	125.1 Å²	125.1	52%	0.518	65%	0.648	S	S	.	*			trans	-56.7	95.1	174.6	-62.6	171.4	0	0	0	106.9	G134 L138	G134-I136 PolarHBondContact O-N 3.17Å; I136-L138 VanDerWaalsContact C-N 3.26Å; I136-L138 PolarHBondContact O-N 3.36Å
137	H	29.9	Very low	35.2	Very low	141 Å²	141	115.2 Å²	115.2	65%	0.653	61%	0.613	S	S	*	*			trans	-80.9	78.7	-171.8	-164.7	-61.6	0	0	0	108.1	P135 T139	P135-H137 VanDerWaalsContact C-N 3.26Å; P135-H137 PolarHBondContact O-N 2.92Å; H137-T139 VanDerWaalsContact C-N 3.26Å; H137-T139 VanDerWaalsContact CE1-CG2 3.41Å; H137-T139 WeakPolarHBondContact CE1-CG2 3.35Å; H137-T139 VanDerWaalsContact ND1-CA 3.33Å; H137-T139 WeakPolarHBondContact ND1-CA 3.5Å; H137-T139 WeakPolarHBondContact ND1-CG2 3.21Å; H137-T139 PolarHBondContact ND1-N 3.44Å; H137-T139 PolarHBondContact O-N 2.92Å
138	L	31.8	Very low	35.5	Very low	121 Å²	121	114.7 Å²	114.7	63%	0.634	61%	0.608	S	S	*	*			trans	-63.9	99.7	154.4	-70.1	169.7	0	0	0	105.5	I136 L140	I136-L138 VanDerWaalsContact C-N 3.26Å; I136-L138 PolarHBondContact O-N 3.36Å; L138-L140 PolarHBondContact O-N 3.32Å
139	T	25.1	Very low	35.7	Very low	113 Å²	113	112 Å²	112	69%	0.693	58%	0.584	S	S	*	*			trans	-54.8	91.9	-178.5	35.3	0	0	0	0	111.7	H137	H137-T139 VanDerWaalsContact C-N 3.26Å; H137-T139 VanDerWaalsContact CE1-CG2 3.41Å; H137-T139 WeakPolarHBondContact CE1-CG2 3.35Å; H137-T139 VanDerWaalsContact ND1-CA 3.33Å; H137-T139 WeakPolarHBondContact ND1-CA 3.5Å; H137-T139 WeakPolarHBondContact ND1-CG2 3.21Å; H137-T139 PolarHBondContact ND1-N 3.44Å; H137-T139 PolarHBondContact O-N 2.92Å
140	L	30	Very low	36.1	Very low	136 Å²	136	110.4 Å²	110.4	71%	0.712	58%	0.575	S	S	*	*			trans	-137.6	111.9	158.9	-71.3	172.9	0	0	0	106.6	L138	L138-L140 PolarHBondContact O-N 3.32Å
141	Q	28.8	Very low	36.3	Very low	179 Å²	179	106.8 Å²	106.8	84%	0.836	56%	0.556	S	S	*	*			trans	-60.1	143.2	-167.7	-71.1	167.5	-38.5	0	0	113.1	D143	Q141-D143 PolarHBondContact O-N 3.42Å
142	N	31.3	Very low	36.1	Very low	162 Å²	162	102.6 Å²	102.6	87%	0.866	54%	0.538	S	S	*	.			trans	6.8	85.5	160.3	-78	-10	0	0	0	118.3
143	D	41	Very low	36.1	Very low	61 Å²	61	100 Å²	100	33%	0.326	54%	0.544	S	S	.	.			trans	-121.1	19.4	169	-76.7	-21	0	0	0	112.5	Q141 N145 D146 R364	Q141-D143 PolarHBondContact O-N 3.42Å; D143-N145 PolarHBondContact O-N 2.91Å; D143-D146 HydrophobicContact CB-CB 4.43Å; D143-D146 WeakPolarHBondContact O-CB 3.33Å; D143-D146 PolarHBondContact O-N 3.49Å; D143-R364 IonicContact OD2-NH1 3.27Å; D143-R364 PolarHBondContact OD2-NH1 3.18Å
144	L	39	Very low	35.8	Very low	84 Å²	84	97 Å²	97	44%	0.44	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-60.3	-27.8	176.8	-85	168.3	0	0	0	112.4	D146 L147	L144-D146 PolarHBondContact O-N 2.85Å; L144-L147 HydrophobicContact CD2-CD1 4.02Å; L144-L147 PolarHBondContact O-N 2.97Å
145	N	40	Very low	35.8	Very low	143 Å²	143	100 Å²	100	77%	0.765	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-66.1	-25.7	173.3	-82.1	-4.7	0	0	0	112.8	D143 L147 V148	D143-N145 PolarHBondContact O-N 2.91Å; N145-L147 PolarHBondContact O-N 2.88Å; N145-V148 PolarHBondContact O-N 3.25Å
146	D	44.6	Very low	36	Very low	46 Å²	46	103 Å²	103	25%	0.246	58%	0.58	C	S	.	*	G	3₁₀ helix	trans	-72.1	-19.2	178.3	-84.9	-11.6	0	0	0	112.3	D143 L144 V148 F149	D143-D146 HydrophobicContact CB-CB 4.43Å; D143-D146 WeakPolarHBondContact O-CB 3.33Å; D143-D146 PolarHBondContact O-N 3.49Å; L144-D146 PolarHBondContact O-N 2.85Å; D146-V148 VanDerWaalsContact C-N 3.31Å; D146-F149 WeakPolarHBondContact O-CD2 3.19Å; D146-F149 WeakPolarHBondContact O-CE2 3.34Å; D146-F149 WeakPolarHBondContact O-CZ 2.96Å
147	L	42.7	Very low	36.3	Very low	36 Å²	36	100 Å²	100	19%	0.188	57%	0.574	C	S	.	*	G	3₁₀ helix	trans	-75.1	-22.9	173.7	-62.4	176.2	0	0	0	112.7	L144 N145 F149 A368 L412	L144-L147 HydrophobicContact CD2-CD1 4.02Å; L144-L147 PolarHBondContact O-N 2.97Å; N145-L147 PolarHBondContact O-N 2.88Å; L147-F149 WeakPolarHBondContact O-CD2 3.22Å; L147-F149 PolarHBondContact O-N 3.07Å; L147-A368 HydrophobicContact CD2-CB 4.47Å; L147-L412 HydrophobicContact CD1-CD2 3.46Å; L147-L412 VanDerWaalsContact CD1-CD2 3.46Å
148	V	39.6	Very low	37.6	Very low	103 Å²	103	100.1 Å²	100.1	62%	0.624	57%	0.573	S	S	*	*	S	Bend	trans	-84.7	66.7	174.9	-165.2	0	0	0	0	108.1	N145 D146 D150	N145-V148 PolarHBondContact O-N 3.25Å; D146-V148 VanDerWaalsContact C-N 3.31Å; V148-D150 PolarHBondContact O-N 2.72Å
149	F	42.6	Very low	38.9	Very low	67 Å²	67	96.5 Å²	96.5	29%	0.294	56%	0.557	S	S	.	*			trans	-61.1	109	177.6	-76.3	-88.2	0	0	0	110.3	D146 L147 D151 S365 R440	D146-F149 WeakPolarHBondContact O-CD2 3.19Å; D146-F149 WeakPolarHBondContact O-CE2 3.34Å; D146-F149 WeakPolarHBondContact O-CZ 2.96Å; L147-F149 WeakPolarHBondContact O-CD2 3.22Å; L147-F149 PolarHBondContact O-N 3.07Å; F149-D151 VanDerWaalsContact C-N 3.31Å; F149-D151 PolarHBondContact O-N 2.7Å; F149-D151 VanDerWaalsContact O-N 3.13Å; F149-S365 VanDerWaalsContact CE2-OG 3.29Å; F149-S365 WeakPolarHBondContact CE2-OG 3.16Å; F149-R440 PolarHBondContact O-NH1 3.07Å
150	D	37.5	Very low	41	Very low	111 Å²	111	98.5 Å²	98.5	59%	0.594	55%	0.551	S	S	*	*			trans	-72.2	92.8	155	-174.3	30.2	0	0	0	108	V148 S152	V148-D150 PolarHBondContact O-N 2.72Å; D150-S152 PolarHBondContact O-N 2.68Å; D150-S152 WeakPolarHBondContact OD1-CB 3.24Å; D150-S152 PolarHBondContact OD1-N 2.96Å; D150-S152 PolarHBondContact OD1-OG 3.46Å; D150-S152 PolarHBondContact OD2-OG 3.08Å
151	D	36.9	Very low	42.6	Very low	85 Å²	85	97.4 Å²	97.4	46%	0.455	54%	0.543	S	S	.	.			trans	-82.1	19.4	173.5	-135.3	9.8	0	0	0	110.7	F149	F149-D151 VanDerWaalsContact C-N 3.31Å; F149-D151 PolarHBondContact O-N 2.7Å; F149-D151 VanDerWaalsContact O-N 3.13Å
152	S	32.2	Very low	44.1	Very low	46 Å²	46	93.4 Å²	93.4	32%	0.322	53%	0.53	S	S	.	.	S	Bend	trans	-59.8	139	171.8	73	0	0	0	0	108.6	D150 T154	D150-S152 PolarHBondContact O-N 2.68Å; D150-S152 WeakPolarHBondContact OD1-CB 3.24Å; D150-S152 PolarHBondContact OD1-N 2.96Å; D150-S152 PolarHBondContact OD1-OG 3.46Å; D150-S152 PolarHBondContact OD2-OG 3.08Å; S152-T154 PolarHBondContact O-N 3.28Å; S152-T154 WeakPolarHBondContact OG-CG2 3.44Å
153	P	32.5	Very low	45.2	Very low	131 Å²	131	86.7 Å²	86.7	85%	0.851	50%	0.5	S	S	*	.			trans	-69.9	71.9	171	29.7	-32.9	0	0	0	108.1	S155	P153-S155 PolarHBondContact O-N 3.41Å
154	T	32.3	Very low	45.7	Very low	73 Å²	73	87.7 Å²	87.7	45%	0.448	51%	0.511	S	S	.	.			trans	-55.4	125.6	166.6	56	0	0	0	0	106.3	S152 A156 R327	S152-T154 PolarHBondContact O-N 3.28Å; S152-T154 WeakPolarHBondContact OG-CG2 3.44Å; T154-A156 PolarHBondContact O-N 3.42Å; T154-R327 PolarHBondContact OG1-NH1 3.12Å
155	S	35.6	Very low	46.4	Very low	102 Å²	102	84.1 Å²	84.1	71%	0.713	49%	0.492	S	S	*	.	S	Bend	trans	-23.7	129.8	-178.7	61.9	0	0	0	0	112.2	P153 G157	P153-S155 PolarHBondContact O-N 3.41Å; S155-G157 VanDerWaalsContact C-N 3.27Å; S155-G157 WeakPolarHBondContact O-CA 3.36Å; S155-G157 PolarHBondContact O-N 2.56Å
156	A	40.1	Very low	46.7	Very low	121 Å²	121	80.8 Å²	80.8	100%	1	48%	0.477	S	S	*	.	S	Bend	trans	-32.6	89.2	176.4	0	0	0	0	0	111.6	T154	T154-A156 PolarHBondContact O-N 3.42Å
157	G	48.4	Very low	46.8	Very low	39 Å²	39	80.3 Å²	80.3	40%	0.402	48%	0.477	S	S	.	.			trans	-122.7	137.9	-147.5	0	0	0	0	0	109.3	S155	S155-G157 VanDerWaalsContact C-N 3.27Å; S155-G157 WeakPolarHBondContact O-CA 3.36Å; S155-G157 PolarHBondContact O-N 2.56Å
158	K	56.8	Low	47.1	Very low	144 Å²	144	82.4 Å²	82.4	63%	0.626	50%	0.495	S	S	*	.			trans	-42.7	147.1	-176.8	-66.1	174.7	180	177.4	0	111.9	D21	D21-K158 IonicContact OD2-NZ 2.79Å; D21-K158 PolarHBondContact OD2-NZ 3.19Å
159	P	60	Low	47.4	Very low	44 Å²	44	85.3 Å²	85.3	29%	0.286	50%	0.502	S	S	.	.			trans	-47.4	146	170.8	-24.5	32.5	0	0	0	111	R52 L53 Q161	R52-P159 HydrophobicContact CB-CB 4.03Å; R52-P159 HydrophobicContact CB-CG 3.76Å; L53-P159 HydrophobicContact CD2-CB 4.11Å; L53-P159 HydrophobicContact CD2-CG 4.09Å; L53-P159 HydrophobicContact CG-CB 4.49Å; P159-Q161 PolarHBondContact O-N 2.98Å
160	R	69.1	Low	47.7	Very low	155 Å²	155	85.7 Å²	85.7	59%	0.585	50%	0.504	S	S	*	.			trans	-53	140.5	171.2	-80.8	-173.7	159.3	-163.8	-2.7	109	N50 T162	N50-R160 VanDerWaalsContact CB-O 3.29Å; N50-R160 WeakPolarHBondContact CB-O 3.36Å; R160-T162 VanDerWaalsContact C-N 3.27Å; R160-T162 PolarHBondContact O-N 3.21Å
161	Q	63.1	Low	48.2	Very low	114 Å²	114	88 Å²	88	53%	0.533	51%	0.511	S	S	.	.	S	Bend	trans	-59.4	-42	177.3	-74.8	175.1	-23.1	0	0	110.7	Y49 N50 L53 P159	Y49-Q161 CarbonylContact C-O 3.53Å; Y49-Q161 WeakPolarHBondContact CA-O 3.43Å; Y49-Q161 HydrophobicContact CD1-CB 4.45Å; Y49-Q161 HydrophobicContact CD1-CG 4.44Å; Y49-Q161 HydrophobicContact CE1-CB 4.24Å; Y49-Q161 HydrophobicContact CE1-CG 3.91Å; N50-Q161 PolarHBondContact N-O 3.48Å; L53-Q161 HydrophobicContact CD1-CG 4.41Å; P159-Q161 PolarHBondContact O-N 2.98Å
162	T	60.5	Low	48.8	Very low	94 Å²	94	92.6 Å²	92.6	58%	0.577	53%	0.53	S	S	*	.			trans	-99.3	159.3	-179.4	60.2	0	0	0	0	112.2	R160	R160-T162 VanDerWaalsContact C-N 3.27Å; R160-T162 PolarHBondContact O-N 3.21Å
163	G	54.9	Low	50.2	Low	21 Å²	21	94.2 Å²	94.2	22%	0.216	54%	0.535	C	S	.	.			trans	132.5	103.5	-173.5	0	0	0	0	0	108.7	M165 D357	G163-M165 PolarHBondContact O-N 3.49Å; G163-D357 WeakPolarHBondContact CA-OD2 3.3Å
164	S	51	Low	51.7	Low	82 Å²	82	91.6 Å²	91.6	57%	0.573	52%	0.517	S	S	*	.			trans	-83.6	100	-178.5	-173.1	0	0	0	0	109.5	V166 D357	S164-V166 PolarHBondContact OG-N 3.27Å; S164-D357 PolarHBondContact N-OD2 2.64Å; S164-D357 VanDerWaalsContact N-OD2 3.1Å
165	M	53.6	Low	53.5	Low	9 Å²	9	92.1 Å²	92.1	4%	0.044	52%	0.52	C	S	.	.			trans	-84.1	6.6	159.4	-69.9	-168.1	43.6	0	0	112.3	R52 G163 S167 Y195 D274 H275	R52-M165 PolarHBondContact NH2-SD 3.48Å; G163-M165 PolarHBondContact O-N 3.49Å; M165-S167 PolarHBondContact O-N 3.46Å; M165-Y195 HydrophobicContact CE-CE1 4Å; M165-Y195 HydrophobicContact CE-CE2 3.53Å; M165-Y195 WeakPolarHBondContact CE-OH 3.35Å; M165-Y195 HydrophobicContact SD-CE2 4.46Å; M165-Y195 PolarHBondContact SD-OH 2.78Å; M165-D274 HydrophobicContact CE-CB 3.48Å; M165-D274 VanDerWaalsContact CE-CB 3.48Å; M165-H275 PolarHBondContact O-NE2 2.8Å
166	V	46.7	Very low	55.4	Low	74 Å²	74	89.4 Å²	89.4	45%	0.448	50%	0.499	S	S	.	.			trans	-86.1	90.5	-177.4	-160.4	0	0	0	0	109.4	S164	S164-V166 PolarHBondContact OG-N 3.27Å
167	S	47	Very low	57.2	Low	35 Å²	35	86.9 Å²	86.9	25%	0.245	46%	0.464	C	S	.	.			trans	-81.3	130.4	156.8	-44.3	0	0	0	0	107.4	M165 H169 H275	M165-S167 PolarHBondContact O-N 3.46Å; S167-H169 PolarHBondContact O-N 2.97Å; S167-H275 VanDerWaalsContact CB-CE1 3.46Å; S167-H275 WeakPolarHBondContact CB-CE1 3.43Å; S167-H275 PolarHBondContact OG-CE1 2.84Å; S167-H275 VanDerWaalsContact OG-CE1 3.24Å; S167-H275 PolarHBondContact OG-NE2 2.89Å
168	S	49.5	Very low	58.7	Low	81 Å²	81	86.9 Å²	86.9	57%	0.566	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-53.9	-11.1	179.5	45.4	0	0	0	0	115.4	H170	S168-H170 PolarHBondContact O-N 3.48Å
169	H	45.7	Very low	60.1	Low	164 Å²	164	81.1 Å²	81.1	76%	0.759	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-79.4	-8.6	-170.1	-70.8	-67.2	0	0	0	116	S167	S167-H169 PolarHBondContact O-N 2.97Å
170	H	48.2	Very low	61.6	Low	74 Å²	74	80.7 Å²	80.7	34%	0.343	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-102.3	22.2	178	-84.6	-66.8	0	0	0	114.6	S168 Q172 H275	S168-H170 PolarHBondContact O-N 3.48Å; H170-Q172 PolarHBondContact O-N 2.76Å; H170-H275 AromaticContact CD2-ND1 3.65Å
171	E	47.6	Very low	62.8	Low	160 Å²	160	73.4 Å²	73.4	75%	0.748	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.2	172.2	-77.7	-176.3	171.2	0	0	114.1	D173	E171-D173 PolarHBondContact O-N 3.48Å
172	Q	50.8	Low	64.2	Low	182 Å²	182	71 Å²	71	85%	0.85	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.7	-164.2	-149.2	68.1	43.1	0	0	116.1	H170	H170-Q172 PolarHBondContact O-N 2.76Å
173	D	60.1	Low	65.9	Low	80 Å²	80	71.4 Å²	71.4	43%	0.428	38%	0.376	S	S	.	.			trans	-144.3	108.5	-179.6	-157.2	-14.1	0	0	0	113.1	E171 V175 T176	E171-D173 PolarHBondContact O-N 3.48Å; D173-V175 PolarHBondContact O-N 2.74Å; D173-V175 VanDerWaalsContact O-N 3.15Å; D173-V175 PolarHBondContact OD1-N 3.32Å; D173-T176 HydrophobicContact CB-CG2 4.19Å; D173-T176 PolarHBondContact O-N 3.26Å; D173-T176 VanDerWaalsContact O-N 3.09Å; D173-T176 PolarHBondContact O-OG1 3.2Å
174	T	65.1	Low	68	Low	75 Å²	75	70.4 Å²	70.4	46%	0.46	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-55.1	-32.5	-179	48.7	0	0	0	0	112.3	T176 R177	T174-T176 PolarHBondContact O-N 3.01Å; T174-R177 PolarHBondContact O-N 3.23Å
175	V	69.4	Low	70.2	Confident	84 Å²	84	67.9 Å²	67.9	51%	0.509	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-63.4	-41.5	-179.9	-178.8	0	0	0	0	111.4	D173 R177 M178	D173-V175 PolarHBondContact O-N 2.74Å; D173-V175 VanDerWaalsContact O-N 3.15Å; D173-V175 PolarHBondContact OD1-N 3.32Å; V175-R177 VanDerWaalsContact C-N 3.27Å; V175-R177 PolarHBondContact O-N 2.62Å; V175-M178 PolarHBondContact O-N 3.46Å
176	T	76.2	Confident	72.3	Confident	46 Å²	46	67.9 Å²	67.9	28%	0.282	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-77.3	-14.1	-175.5	66.5	0	0	0	0	113.4	D173 T174 M178 F196	D173-T176 HydrophobicContact CB-CG2 4.19Å; D173-T176 PolarHBondContact O-N 3.26Å; D173-T176 VanDerWaalsContact O-N 3.09Å; D173-T176 PolarHBondContact O-OG1 3.2Å; T174-T176 PolarHBondContact O-N 3.01Å; T176-M178 PolarHBondContact O-N 3.15Å; T176-F196 HydrophobicContact CG2-CD1 4.21Å; T176-F196 HydrophobicContact CG2-CE1 4.3Å; T176-F196 VanDerWaalsContact O-CB 3.26Å; T176-F196 WeakPolarHBondContact O-CB 3.35Å
177	R	77.4	Confident	74.6	Confident	68 Å²	68	65.7 Å²	65.7	26%	0.257	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-73.2	-18.7	173.7	-61.2	-164	-69.9	160.9	1.7	112.4	E29 L31 T174 V175	E29-R177 VanDerWaalsContact CD-NH1 3.35Å; E29-R177 IonicContact OE1-CZ 3.01Å; E29-R177 VanDerWaalsContact OE1-CZ 3.26Å; E29-R177 IonicContact OE1-NH1 3.06Å; E29-R177 PolarHBondContact OE1-NH1 2.93Å; E29-R177 IonicContact OE1-NH2 3.91Å; E29-R177 PolarHBondContact OE1-NH2 2.87Å; E29-R177 IonicContact OE2-NH1 3.77Å; E29-R177 PolarHBondContact OE2-NH1 3.4Å; E29-R177 VanDerWaalsContact OE2-NH1 3.14Å; L31-R177 HydrophobicContact CD1-CB 4.14Å; T174-R177 PolarHBondContact O-N 3.23Å; V175-R177 VanDerWaalsContact C-N 3.27Å; V175-R177 PolarHBondContact O-N 2.62Å
178	M	80	Confident	76.9	Confident	39 Å²	39	71.5 Å²	71.5	19%	0.192	35%	0.353	C	S	.	.	S	Bend	trans	-102.4	140	176.6	-62.8	-172.9	-76.5	0	0	111.2	L31 G32 Y43 V175 T176 N180 F196	L31-M178 HydrophobicContact CB-CG 3.8Å; L31-M178 HydrophobicContact CB-SD 4.18Å; G32-M178 VanDerWaalsContact CA-SD 3.59Å; Y43-M178 HydrophobicContact CD1-CB 4.35Å; Y43-M178 HydrophobicContact CD1-CG 3.68Å; Y43-M178 HydrophobicContact CD1-SD 4.19Å; Y43-M178 HydrophobicContact CE1-CB 4.34Å; Y43-M178 HydrophobicContact CE1-CG 4.07Å; Y43-M178 HydrophobicContact CG-CG 4.16Å; Y43-M178 HydrophobicContact CG-SD 4.14Å; V175-M178 PolarHBondContact O-N 3.46Å; T176-M178 PolarHBondContact O-N 3.15Å; M178-N180 PolarHBondContact O-N 3.49Å; M178-F196 WeakPolarHBondContact O-CB 3.3Å
179	R	87.1	Confident	79.2	Confident	23 Å²	23	70.6 Å²	70.6	9%	0.087	34%	0.338	C	S	.	.			trans	-64.1	133.5	168.6	67.5	177.2	178.3	-110.3	-16.5	109.8	Y43 D54 E182 K192 P193	Y43-R179 HydrophobicContact CE2-CG 4.28Å; D54-R179 PolarHBondContact O-NH1 3.16Å; R179-E182 IonicContact NE-OE2 3.05Å; R179-E182 IonicContact NH2-OE2 3.34Å; R179-K192 VanDerWaalsContact NH2-NZ 3.12Å; R179-P193 WeakPolarHBondContact CD-O 3.46Å
180	N	90.5	Very high	81.7	Confident	34 Å²	34	70.5 Å²	70.5	18%	0.182	33%	0.331	C	S	.	.	S	Bend	trans	-93.6	-14.2	-179.1	62.8	-43.7	0	0	0	113.8	M178 F196 S197	M178-N180 PolarHBondContact O-N 3.49Å; N180-F196 HydrophobicContact CB-CD2 3.66Å; N180-F196 HydrophobicContact CB-CE2 3.77Å; N180-S197 PolarHBondContact ND2-O 3.46Å; N180-S197 PolarHBondContact OD1-N 3.23Å; N180-S197 PolarHBondContact OD1-O 3.4Å
181	L	93.6	Very high	84	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	32%	0.317	C	S	.	.			trans	-116.2	134.6	178	-58.6	-169.6	0	0	0	109.8	I184 P193 Y199 V209 L271	L181-I184 HydrophobicContact CD1-CG2 4.1Å; L181-P193 HydrophobicContact CB-CG 4Å; L181-Y199 HydrophobicContact CD1-CD2 3.79Å; L181-Y199 HydrophobicContact CD1-CE2 4.18Å; L181-Y199 HydrophobicContact CD1-CG 4.09Å; L181-V209 HydrophobicContact CD1-CB 4.33Å; L181-V209 HydrophobicContact CD1-CG2 3.88Å; L181-V209 HydrophobicContact CD2-CG2 3.88Å; L181-V209 HydrophobicContact CG-CG2 4.45Å; L181-L271 HydrophobicContact CD1-CD2 3.83Å; L181-L271 HydrophobicContact CG-CD2 4.32Å
182	E	92.2	Very high	86.3	Confident	63 Å²	63	63.4 Å²	63.4	29%	0.294	30%	0.297	S	S	.	.	S	Bend	trans	-83.1	-45.9	178.8	-171.7	56.4	-150.9	0	0	111.9	R179 K192 P193	R179-E182 IonicContact NE-OE2 3.05Å; R179-E182 IonicContact NH2-OE2 3.34Å; E182-K192 WeakPolarHBondContact OE1-CE 3.32Å; E182-K192 IonicContact OE1-NZ 2.82Å; E182-K192 PolarHBondContact OE1-NZ 3.19Å; E182-P193 WeakPolarHBondContact O-CD 3.46Å
183	W	97.1	Very high	88.4	Confident	103 Å²	103	54.8 Å²	54.8	39%	0.39	26%	0.257	S	S	.	.			trans	-138.6	149.2	176	-66.8	98.3	0	0	0	112.1	R190 K192 C208 V209	W183-R190 HydrophobicContact CE3-CB 4.34Å; W183-K192 HydrophobicContact CE3-CB 4.09Å; W183-K192 HydrophobicContact CH2-CB 4.02Å; W183-K192 HydrophobicContact CH2-CD 4.43Å; W183-K192 HydrophobicContact CH2-CG 4.48Å; W183-K192 HydrophobicContact CZ2-CD 4.48Å; W183-K192 HydrophobicContact CZ3-CB 3.71Å; W183-K192 HydrophobicContact CZ3-CG 4.49Å; W183-C208 HydrophobicContact CB-CB 4.12Å; W183-C208 WeakPolarHBondContact O-CA 3.24Å; W183-V209 PolarHBondContact O-N 3.43Å
184	I	98.2	Very high	89.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.1	160.4	67.6	168.1	0	0	0	110.4	L181 R190 I191 P193 V209 I211 L268 L271 F272	L181-I184 HydrophobicContact CD1-CG2 4.1Å; I184-R190 CarbonylContact O-C 3.51Å; I184-R190 VanDerWaalsContact O-CA 3.3Å; I184-R190 WeakPolarHBondContact O-CA 3.41Å; I184-I191 HydrophobicContact CD1-CB 4.34Å; I184-I191 HydrophobicContact CG1-CB 3.9Å; I184-I191 WeakPolarHBondContact CG1-O 3.44Å; I184-I191 PolarHBondContact N-O 3.39Å; I184-I191 PolarHBondContact O-N 3.06Å; I184-P193 HydrophobicContact CG2-CG 4.08Å; I184-V209 CarbonylContact C-O 3.54Å; I184-V209 VanDerWaalsContact CA-O 3.23Å; I184-V209 WeakPolarHBondContact CA-O 3.35Å; I184-V209 HydrophobicContact CG2-CB 4.32Å; I184-I211 HydrophobicContact CB-CD1 4.26Å; I184-I211 HydrophobicContact CD1-CD1 4.13Å; I184-I211 HydrophobicContact CG2-CD1 4.35Å; I184-L268 HydrophobicContact CD1-CD1 3.71Å; I184-L271 HydrophobicContact CD1-CD1 3.92Å; I184-L271 HydrophobicContact CG2-CD1 3.83Å; I184-F272 HydrophobicContact CD1-CE2 4.08Å; I184-F272 HydrophobicContact CD1-CZ 3.83Å
185	E	98.4	Very high	91.1	Very high	30 Å²	30	49.6 Å²	49.6	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.2	169.6	-167.4	173.6	113.5	0	0	109.3	Y189 R190 V209 Y210 I211	E185-Y189 WeakPolarHBondContact CA-O 3.28Å; E185-R190 HydrophobicContact CB-CG 4.27Å; E185-R190 HydrophobicContact CG-CG 4.05Å; E185-R190 IonicContact OE2-CZ 3.68Å; E185-R190 IonicContact OE2-NE 2.77Å; E185-R190 PolarHBondContact OE2-NE 2.91Å; E185-R190 IonicContact OE2-NH2 3.01Å; E185-R190 PolarHBondContact OE2-NH2 3.27Å; E185-V209 PolarHBondContact N-O 3Å; E185-Y210 HydrophobicContact CB-CD1 3.88Å; E185-Y210 HydrophobicContact CB-CE1 4.14Å; E185-Y210 VanDerWaalsContact CD-CE1 3.46Å; E185-Y210 HydrophobicContact CG-CD1 4.29Å; E185-Y210 HydrophobicContact CG-CE1 4.38Å; E185-Y210 WeakPolarHBondContact OE1-CE1 3.46Å; E185-Y210 WeakPolarHBondContact OE2-CE1 3.46Å; E185-I211 PolarHBondContact O-N 3.28Å
186	L	97.8	Very high	92.2	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.1	179.4	179.9	68.8	0	0	0	109.2	R188 Y189 I211 L216 L268 L322	L186-R188 PolarHBondContact O-N 3.03Å; L186-Y189 PolarHBondContact N-O 2.85Å; L186-Y189 PolarHBondContact O-N 3.13Å; L186-I211 HydrophobicContact CD1-CB 3.96Å; L186-I211 HydrophobicContact CD1-CG2 3.71Å; L186-L216 HydrophobicContact CD1-CD2 4.37Å; L186-L268 HydrophobicContact CD2-CD2 4.08Å; L186-L322 HydrophobicContact CD2-CD1 3.67Å
187	G	95.3	Very high	93	Very high	28 Å²	28	45.4 Å²	45.4	29%	0.289	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-122.2	-173.9	0	0	0	0	0	110.9	E213	G187-E213 VanDerWaalsContact CA-CD 3.46Å
188	R	94.5	Very high	93.7	Very high	156 Å²	156	43.1 Å²	43.1	59%	0.589	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.2	178.7	71	-177.3	111.5	-166.3	2.2	114.5	L186	L186-R188 PolarHBondContact O-N 3.03Å
189	Y	97.8	Very high	94.4	Very high	63 Å²	63	41.8 Å²	41.8	25%	0.247	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.1	-170.2	-57.3	-69.4	0	0	0	111.4	E185 L186 P324 F325	E185-Y189 WeakPolarHBondContact CA-O 3.28Å; L186-Y189 PolarHBondContact N-O 2.85Å; L186-Y189 PolarHBondContact O-N 3.13Å; Y189-P324 HydrophobicContact CD1-CB 3.75Å; Y189-P324 HydrophobicContact CD1-CG 3.97Å; Y189-P324 HydrophobicContact CD2-CB 4.03Å; Y189-P324 HydrophobicContact CD2-CG 4.03Å; Y189-P324 HydrophobicContact CE1-CB 3.8Å; Y189-P324 HydrophobicContact CE2-CB 4.06Å; Y189-P324 HydrophobicContact CG-CB 3.87Å; Y189-P324 HydrophobicContact CG-CG 3.7Å; Y189-F325 HydrophobicContact CD2-CE2 4.49Å; Y189-F325 HydrophobicContact CD2-CZ 4.47Å; Y189-F325 HydrophobicContact CE2-CE1 4.32Å; Y189-F325 HydrophobicContact CE2-CE2 4.03Å; Y189-F325 AromaticContact CE2-CZ 3.64Å; Y189-F325 HydrophobicContact CE2-CZ 3.64Å
190	R	97.6	Very high	94.7	Very high	161 Å²	161	42.9 Å²	42.9	61%	0.608	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.3	159.2	-74.2	-174	178.8	170.1	3.6	108.8	W183 I184 E185	W183-R190 HydrophobicContact CE3-CB 4.34Å; I184-R190 CarbonylContact O-C 3.51Å; I184-R190 VanDerWaalsContact O-CA 3.3Å; I184-R190 WeakPolarHBondContact O-CA 3.41Å; E185-R190 HydrophobicContact CB-CG 4.27Å; E185-R190 HydrophobicContact CG-CG 4.05Å; E185-R190 IonicContact OE2-CZ 3.68Å; E185-R190 IonicContact OE2-NE 2.77Å; E185-R190 PolarHBondContact OE2-NE 2.91Å; E185-R190 IonicContact OE2-NH2 3.01Å; E185-R190 PolarHBondContact OE2-NH2 3.27Å
191	I	97.2	Very high	94.6	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.9	-170.3	-47	171.6	0	0	0	107.8	I184 P193 F272 P323 P324	I184-I191 HydrophobicContact CD1-CB 4.34Å; I184-I191 HydrophobicContact CG1-CB 3.9Å; I184-I191 WeakPolarHBondContact CG1-O 3.44Å; I184-I191 PolarHBondContact N-O 3.39Å; I184-I191 PolarHBondContact O-N 3.06Å; I191-P193 WeakPolarHBondContact O-CD 3.5Å; I191-F272 HydrophobicContact CB-CZ 4.3Å; I191-F272 HydrophobicContact CG2-CE1 3.66Å; I191-F272 HydrophobicContact CG2-CZ 3.59Å; I191-P323 HydrophobicContact CG2-CB 4.09Å; I191-P323 HydrophobicContact CG2-CG 3.85Å; I191-P324 HydrophobicContact CD1-CG 3.66Å; I191-P324 HydrophobicContact CG1-CG 3.9Å
192	K	95	Very high	94.5	Very high	74 Å²	74	55.8 Å²	55.8	32%	0.322	25%	0.25	S	S	.	.			trans	-83.6	119.9	173.3	-162.1	172.5	-162	179.7	0	109.2	R179 E182 W183	R179-K192 VanDerWaalsContact NH2-NZ 3.12Å; E182-K192 WeakPolarHBondContact OE1-CE 3.32Å; E182-K192 IonicContact OE1-NZ 2.82Å; E182-K192 PolarHBondContact OE1-NZ 3.19Å; W183-K192 HydrophobicContact CE3-CB 4.09Å; W183-K192 HydrophobicContact CH2-CB 4.02Å; W183-K192 HydrophobicContact CH2-CD 4.43Å; W183-K192 HydrophobicContact CH2-CG 4.48Å; W183-K192 HydrophobicContact CZ2-CD 4.48Å; W183-K192 HydrophobicContact CZ3-CB 3.71Å; W183-K192 HydrophobicContact CZ3-CG 4.49Å
193	P	95	Very high	94.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	24%	0.239	C	C	.	.			trans	-58.8	150.2	172.6	-28.3	40.2	0	0	0	112.4	R179 L181 E182 I184 I191 L271	R179-P193 WeakPolarHBondContact CD-O 3.46Å; L181-P193 HydrophobicContact CB-CG 4Å; E182-P193 WeakPolarHBondContact O-CD 3.46Å; I184-P193 HydrophobicContact CG2-CG 4.08Å; I191-P193 WeakPolarHBondContact O-CD 3.5Å; P193-L271 HydrophobicContact CB-CB 4.14Å; P193-L271 HydrophobicContact CB-CD2 3.81Å; P193-L271 HydrophobicContact CB-CG 4.49Å; P193-L271 HydrophobicContact CG-CD2 3.97Å
194	W	91.5	Very high	94.2	Very high	38 Å²	38	50.4 Å²	50.4	14%	0.144	24%	0.237	C	C	.	.			trans	-99	-34.6	177.9	-60.8	-17	0	0	0	112.1	R52 L271 F272 P323 L358	R52-W194 HydrophobicContact CG-CB 4.06Å; R52-W194 HydrophobicContact CG-CD2 3.8Å; R52-W194 HydrophobicContact CG-CE3 4.21Å; R52-W194 HydrophobicContact CG-CG 3.73Å; W194-L271 PolarHBondContact N-O 3.13Å; W194-F272 AromaticContact CD2-CD1 3.89Å; W194-F272 HydrophobicContact CD2-CD1 3.89Å; W194-F272 HydrophobicContact CE3-CB 4Å; W194-F272 HydrophobicContact CE3-CD1 4.18Å; W194-F272 HydrophobicContact CG-CD1 4.07Å; W194-F272 HydrophobicContact CZ3-CB 4.39Å; W194-P323 HydrophobicContact CH2-CG 4.23Å; W194-P323 HydrophobicContact CZ2-CB 4.05Å; W194-P323 HydrophobicContact CZ2-CG 3.77Å; W194-L358 HydrophobicContact CH2-CD1 4.33Å; W194-L358 HydrophobicContact CZ3-CD1 4.35Å
195	Y	91.6	Very high	93.7	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.035	27%	0.271	C	S	.	.	S	Bend	trans	-130.4	165.3	-174.3	-51.2	-67.4	0	0	0	111.7	K51 M165 L271 F272 D274	K51-Y195 HydrophobicContact CB-CE1 3.96Å; K51-Y195 HydrophobicContact CD-CE1 4.06Å; M165-Y195 HydrophobicContact CE-CE1 4Å; M165-Y195 HydrophobicContact CE-CE2 3.53Å; M165-Y195 WeakPolarHBondContact CE-OH 3.35Å; M165-Y195 HydrophobicContact SD-CE2 4.46Å; M165-Y195 PolarHBondContact SD-OH 2.78Å; Y195-L271 PolarHBondContact N-O 3.44Å; Y195-F272 VanDerWaalsContact CD2-C 3.48Å; Y195-F272 WeakPolarHBondContact CE2-O 3.21Å; Y195-D274 HydrophobicContact CD1-CB 3.97Å; Y195-D274 HydrophobicContact CD2-CB 4.31Å; Y195-D274 HydrophobicContact CE1-CB 3.97Å; Y195-D274 HydrophobicContact CE2-CB 4.29Å; Y195-D274 HydrophobicContact CG-CB 4.19Å
196	F	92	Very high	93.5	Very high	42 Å²	42	55.2 Å²	55.2	18%	0.184	27%	0.273	C	S	.	.			trans	-56.9	135.2	165.6	-179.1	-91.1	0	0	0	111	T176 M178 N180 P198 K270	T176-F196 HydrophobicContact CG2-CD1 4.21Å; T176-F196 HydrophobicContact CG2-CE1 4.3Å; T176-F196 VanDerWaalsContact O-CB 3.26Å; T176-F196 WeakPolarHBondContact O-CB 3.35Å; M178-F196 WeakPolarHBondContact O-CB 3.3Å; N180-F196 HydrophobicContact CB-CD2 3.66Å; N180-F196 HydrophobicContact CB-CE2 3.77Å; F196-P198 HydrophobicContact CE1-CB 3.95Å; F196-P198 HydrophobicContact CZ-CB 4.41Å; F196-K270 WeakPolarHBondContact O-CG 3.46Å; F196-K270 PolarHBondContact O-NZ 3.14Å
197	S	93.6	Very high	93.3	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.304	C	S	.	.			trans	-134.5	134.7	166.2	-179	0	0	0	0	110.3	N180 Y199 L267	N180-S197 PolarHBondContact ND2-O 3.46Å; N180-S197 PolarHBondContact OD1-N 3.23Å; N180-S197 PolarHBondContact OD1-O 3.4Å; S197-Y199 PolarHBondContact O-N 3.3Å; S197-Y199 WeakPolarHBondContact OG-CD2 3.31Å; S197-Y199 WeakPolarHBondContact OG-CE2 3.41Å; S197-L267 PolarHBondContact OG-O 2.82Å
198	P	91.7	Very high	93.3	Very high	19 Å²	19	59.2 Å²	59.2	12%	0.123	29%	0.294	C	S	.	.			trans	-78.5	58.7	-171.9	31.3	-33.3	0	0	0	112.7	F196 L267 Y279 Y280	F196-P198 HydrophobicContact CE1-CB 3.95Å; F196-P198 HydrophobicContact CZ-CB 4.41Å; P198-L267 HydrophobicContact CG-CD2 3.87Å; P198-L267 WeakPolarHBondContact O-CD2 3.31Å; P198-Y279 HydrophobicContact CB-CE2 3.93Å; P198-Y279 HydrophobicContact CG-CD1 4.21Å; P198-Y279 HydrophobicContact CG-CD2 3.53Å; P198-Y279 HydrophobicContact CG-CE1 3.92Å; P198-Y279 HydrophobicContact CG-CE2 3.13Å; P198-Y279 HydrophobicContact CG-CG 4.05Å; P198-Y280 PolarHBondContact O-OH 2.89Å; P198-Y280 VanDerWaalsContact O-OH 3.11Å
199	Y	94.6	Very high	93.5	Very high	11 Å²	11	51.9 Å²	51.9	4%	0.043	27%	0.266	C	S	.	.			trans	-65.7	153.8	162.7	-78.6	-94.4	0	0	0	110.1	L181 S197 Q201 L203 Y218 L267 L268 L271	L181-Y199 HydrophobicContact CD1-CD2 3.79Å; L181-Y199 HydrophobicContact CD1-CE2 4.18Å; L181-Y199 HydrophobicContact CD1-CG 4.09Å; S197-Y199 PolarHBondContact O-N 3.3Å; S197-Y199 WeakPolarHBondContact OG-CD2 3.31Å; S197-Y199 WeakPolarHBondContact OG-CE2 3.41Å; Y199-Q201 PolarHBondContact O-N 2.95Å; Y199-L203 HydrophobicContact CD1-CD1 4.15Å; Y199-Y218 AromaticContact CD1-CD1 3.87Å; Y199-Y218 HydrophobicContact CD1-CD1 3.87Å; Y199-Y218 HydrophobicContact CD1-CD2 4.09Å; Y199-Y218 HydrophobicContact CD1-CE1 4.36Å; Y199-Y218 AromaticContact CD1-CG 3.71Å; Y199-Y218 HydrophobicContact CD1-CG 3.71Å; Y199-Y218 AromaticContact CE1-CD1 3.48Å; Y199-Y218 HydrophobicContact CE1-CD1 3.48Å; Y199-Y218 VanDerWaalsContact CE1-CD1 3.48Å; Y199-Y218 HydrophobicContact CE1-CD2 4.37Å; Y199-Y218 HydrophobicContact CE1-CE1 4.27Å; Y199-Y218 AromaticContact CE1-CG 3.53Å; Y199-Y218 HydrophobicContact CE1-CG 3.53Å; Y199-L267 HydrophobicContact CD2-CB 4.46Å; Y199-L267 HydrophobicContact CE1-CB 4.25Å; Y199-L267 HydrophobicContact CE2-CB 3.83Å; Y199-L268 WeakPolarHBondContact OH-CA 3.38Å; Y199-L268 PolarHBondContact OH-N 2.66Å; Y199-L271 HydrophobicContact CD2-CD2 4.39Å; Y199-L271 HydrophobicContact CE2-CD1 3.8Å; Y199-L271 HydrophobicContact CE2-CD2 4.06Å; Y199-L271 HydrophobicContact CE2-CG 3.95Å
200	P	93.4	Very high	93.6	Very high	46 Å²	46	50.5 Å²	50.5	30%	0.299	26%	0.261	S	S	.	.			trans	-49.4	137.8	173.9	-28.7	35.5	0	0	0	112.3	E202 L203 Y218	P200-E202 WeakPolarHBondContact CB-OE2 3.28Å; P200-E202 PolarHBondContact O-N 2.88Å; P200-E202 VanDerWaalsContact O-N 3.1Å; P200-L203 WeakPolarHBondContact O-CB 3.36Å; P200-L203 PolarHBondContact O-N 3.35Å; P200-Y218 HydrophobicContact CG-CE2 3.8Å
201	Q	88.9	Confident	93.6	Very high	167 Å²	167	43 Å²	43	78%	0.78	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-60.4	-27.4	-170.1	-171.1	177.6	2	0	0	112.7	Y199 L203 A204	Y199-Q201 PolarHBondContact O-N 2.95Å; Q201-L203 PolarHBondContact O-N 3.5Å; Q201-L203 VanDerWaalsContact O-N 3.15Å; Q201-A204 WeakPolarHBondContact O-CB 3.34Å; Q201-A204 PolarHBondContact O-N 2.77Å
202	E	91.5	Very high	93.7	Very high	140 Å²	140	42.4 Å²	42.4	65%	0.654	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-65.4	-16	176.9	-49	78.8	-171.9	0	0	112.9	P200 S205	P200-E202 WeakPolarHBondContact CB-OE2 3.28Å; P200-E202 PolarHBondContact O-N 2.88Å; P200-E202 VanDerWaalsContact O-N 3.1Å; E202-S205 PolarHBondContact O-OG 3.03Å
203	L	93.6	Very high	93.8	Very high	13 Å²	13	40 Å²	40	7%	0.068	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-91.8	-16.6	174.9	-60	178.7	0	0	0	112.8	Y199 P200 Q201 S205 V206 V209 Y218 K220	Y199-L203 HydrophobicContact CD1-CD1 4.15Å; P200-L203 WeakPolarHBondContact O-CB 3.36Å; P200-L203 PolarHBondContact O-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.5Å; Q201-L203 VanDerWaalsContact O-N 3.15Å; L203-S205 PolarHBondContact O-N 3.44Å; L203-V206 WeakPolarHBondContact O-CG2 3.18Å; L203-V206 PolarHBondContact O-N 3.41Å; L203-V209 HydrophobicContact CB-CG2 3.9Å; L203-V209 HydrophobicContact CD1-CG1 4.27Å; L203-Y218 HydrophobicContact CD1-CD2 3.45Å; L203-Y218 VanDerWaalsContact CD1-CD2 3.45Å; L203-Y218 HydrophobicContact CD1-CE2 3.98Å; L203-Y218 HydrophobicContact CD1-CG 4.3Å; L203-K220 HydrophobicContact CD2-CB 3.62Å
204	A	89.7	Confident	93.9	Very high	41 Å²	41	40.5 Å²	40.5	34%	0.339	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.2	178.1	0	0	0	0	0	112.4	Q201	Q201-A204 WeakPolarHBondContact O-CB 3.34Å; Q201-A204 PolarHBondContact O-N 2.77Å
205	S	87.7	Confident	94.2	Very high	102 Å²	102	39.5 Å²	39.5	71%	0.713	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.9	178.6	60.6	0	0	0	0	114.1	E202 L203	E202-S205 PolarHBondContact O-OG 3.03Å; L203-S205 PolarHBondContact O-N 3.44Å
206	V	93	Very high	94.6	Very high	29 Å²	29	39 Å²	39	18%	0.176	22%	0.219	C	C	.	.	S	Bend	trans	-81.7	144.1	179.3	-56.9	0	0	0	0	110.8	L203 C208 V209 K220	L203-V206 WeakPolarHBondContact O-CG2 3.18Å; L203-V206 PolarHBondContact O-N 3.41Å; V206-C208 WeakPolarHBondContact CG2-O 3.4Å; V206-C208 PolarHBondContact O-N 3.5Å; V206-V209 HydrophobicContact CG2-CG2 3.71Å; V206-K220 HydrophobicContact CG1-CB 4.47Å
207	P	93.3	Very high	94.9	Very high	108 Å²	108	41.7 Å²	41.7	70%	0.701	23%	0.23	S	C	*	.	S	Bend	trans	-66.9	-24	-179.5	26.5	-35.5	0	0	0	113
208	C	97.1	Very high	95.1	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.088	24%	0.242	C	C	.	.			trans	-152.2	129.1	178.4	-173.5	0	0	0	0	111	W183 V206 Y210	W183-C208 HydrophobicContact CB-CB 4.12Å; W183-C208 WeakPolarHBondContact O-CA 3.24Å; V206-C208 WeakPolarHBondContact CG2-O 3.4Å; V206-C208 PolarHBondContact O-N 3.5Å; C208-Y210 HydrophobicContact CB-CE2 4.25Å; C208-Y210 WeakPolarHBondContact O-CD2 3.33Å; C208-Y210 WeakPolarHBondContact O-CE2 3.5Å
209	V	98.3	Very high	95.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.9	171.7	178.9	0	0	0	0	109.6	L181 W183 I184 E185 L203 V206 I211	L181-V209 HydrophobicContact CD1-CB 4.33Å; L181-V209 HydrophobicContact CD1-CG2 3.88Å; L181-V209 HydrophobicContact CD2-CG2 3.88Å; L181-V209 HydrophobicContact CG-CG2 4.45Å; W183-V209 PolarHBondContact O-N 3.43Å; I184-V209 CarbonylContact C-O 3.54Å; I184-V209 VanDerWaalsContact CA-O 3.23Å; I184-V209 WeakPolarHBondContact CA-O 3.35Å; I184-V209 HydrophobicContact CG2-CB 4.32Å; E185-V209 PolarHBondContact N-O 3Å; L203-V209 HydrophobicContact CB-CG2 3.9Å; L203-V209 HydrophobicContact CD1-CG1 4.27Å; V206-V209 HydrophobicContact CG2-CG2 3.71Å; V209-I211 HydrophobicContact CG1-CG1 4.37Å
210	Y	98.4	Very high	95.4	Very high	35 Å²	35	51.1 Å²	51.1	14%	0.137	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.9	-178.5	-67.1	-95.6	0	0	0	110.1	E185 C208 Y218 L219 S221 F222 L225	E185-Y210 HydrophobicContact CB-CD1 3.88Å; E185-Y210 HydrophobicContact CB-CE1 4.14Å; E185-Y210 VanDerWaalsContact CD-CE1 3.46Å; E185-Y210 HydrophobicContact CG-CD1 4.29Å; E185-Y210 HydrophobicContact CG-CE1 4.38Å; E185-Y210 WeakPolarHBondContact OE1-CE1 3.46Å; E185-Y210 WeakPolarHBondContact OE2-CE1 3.46Å; C208-Y210 HydrophobicContact CB-CE2 4.25Å; C208-Y210 WeakPolarHBondContact O-CD2 3.33Å; C208-Y210 WeakPolarHBondContact O-CE2 3.5Å; Y210-Y218 CarbonylContact O-C 3.58Å; Y210-Y218 WeakPolarHBondContact O-CA 3.05Å; Y210-L219 PolarHBondContact N-O 3.4Å; Y210-L219 WeakPolarHBondContact O-CB 3.48Å; Y210-L219 PolarHBondContact O-N 3.06Å; Y210-S221 VanDerWaalsContact CD2-C 3.43Å; Y210-F222 HydrophobicContact CD1-CB 4.41Å; Y210-F222 HydrophobicContact CD1-CD2 4.45Å; Y210-F222 HydrophobicContact CE1-CB 3.86Å; Y210-F222 HydrophobicContact CE1-CD2 4.11Å; Y210-F222 HydrophobicContact CE1-CG 4.49Å; Y210-F222 HydrophobicContact CE2-CB 4.5Å; Y210-L225 HydrophobicContact CD1-CD2 4.08Å
211	I	98.6	Very high	95.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.7	-177.4	-56.9	179.6	0	0	0	109	I184 E185 L186 V209 E213 L216 K217 L268	I184-I211 HydrophobicContact CB-CD1 4.26Å; I184-I211 HydrophobicContact CD1-CD1 4.13Å; I184-I211 HydrophobicContact CG2-CD1 4.35Å; E185-I211 PolarHBondContact O-N 3.28Å; L186-I211 HydrophobicContact CD1-CB 3.96Å; L186-I211 HydrophobicContact CD1-CG2 3.71Å; V209-I211 HydrophobicContact CG1-CG1 4.37Å; I211-E213 PolarHBondContact O-N 3.33Å; I211-L216 HydrophobicContact CG2-CB 4.48Å; I211-L216 WeakPolarHBondContact CG2-O 3.29Å; I211-K217 WeakPolarHBondContact CA-O 3.13Å; I211-L268 HydrophobicContact CD1-CD1 3.94Å
212	C	98.5	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.			trans	-61.8	122.7	174.1	-179.4	0	0	0	0	110.1	F214 C215 L216 K217 L225 H228	C212-F214 PolarHBondContact O-N 3.42Å; C212-F214 VanDerWaalsContact O-N 3.12Å; C212-C215 VanDerWaalsContact SG-SG 3.66Å; C212-L216 WeakPolarHBondContact O-CA 3.35Å; C212-L216 PolarHBondContact O-N 2.88Å; C212-K217 HydrophobicContact CB-CB 4.48Å; C212-K217 PolarHBondContact N-O 3.44Å; C212-L225 HydrophobicContact CB-CD1 4.28Å; C212-H228 WeakPolarHBondContact CB-NE2 3.47Å; C212-H228 PolarHBondContact SG-NE2 3.26Å
213	E	97.3	Very high	96.2	Very high	22 Å²	22	45 Å²	45	10%	0.103	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.9	-177.8	-173.6	169.3	-148.6	0	0	113.5	G187 I211 R296 H299	G187-E213 VanDerWaalsContact CA-CD 3.46Å; I211-E213 PolarHBondContact O-N 3.33Å; E213-R296 IonicContact OE2-CZ 3.42Å; E213-R296 IonicContact OE2-NH1 3.79Å; E213-R296 IonicContact OE2-NH2 3.98Å; E213-R296 PolarHBondContact OE2-NH2 3.17Å; E213-H299 IonicContact OE1-CE1 3.62Å; E213-H299 IonicContact OE1-CG 3.98Å; E213-H299 IonicContact OE1-ND1 2.96Å; E213-H299 PolarHBondContact OE1-ND1 2.89Å; E213-H299 IonicContact OE2-CE1 3.72Å; E213-H299 IonicContact OE2-ND1 3.58Å
214	F	98.1	Very high	96.4	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.057	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-57.2	-176.9	-55	-64.4	0	0	0	112.9	C212 L234 Y261	C212-F214 PolarHBondContact O-N 3.42Å; C212-F214 VanDerWaalsContact O-N 3.12Å; F214-L234 HydrophobicContact CB-CB 4.18Å; F214-L234 WeakPolarHBondContact CB-O 3.48Å; F214-L234 WeakPolarHBondContact CD2-O 3.29Å; F214-L234 WeakPolarHBondContact CG-O 3.01Å; F214-Y261 VanDerWaalsContact O-CE2 3.25Å; F214-Y261 WeakPolarHBondContact O-CE2 3.46Å
215	C	98	Very high	96.8	Very high	16 Å²	16	44 Å²	44	11%	0.108	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.4	-176	78.5	0	0	0	0	114.5	C212 K217 H228 L234 H264	C212-C215 VanDerWaalsContact SG-SG 3.66Å; C215-K217 PolarHBondContact O-N 2.94Å; C215-K217 WeakPolarHBondContact SG-CB 3.48Å; C215-H228 PolarHBondContact SG-CE1 3.16Å; C215-H228 PolarHBondContact SG-NE2 2.8Å; C215-L234 HydrophobicContact CB-CB 4.46Å; C215-L234 HydrophobicContact CB-CD1 3.61Å; C215-H264 PolarHBondContact O-ND1 3.4Å
216	L	98.6	Very high	97.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.			trans	59.8	11.8	-179.2	-51.5	-177.9	0	0	0	115.1	L186 I211 C212 Y218 Y261 H264 L265 L268 L300	L186-L216 HydrophobicContact CD1-CD2 4.37Å; I211-L216 HydrophobicContact CG2-CB 4.48Å; I211-L216 WeakPolarHBondContact CG2-O 3.29Å; C212-L216 WeakPolarHBondContact O-CA 3.35Å; C212-L216 PolarHBondContact O-N 2.88Å; L216-Y218 PolarHBondContact O-N 3.13Å; L216-Y261 HydrophobicContact CD1-CD1 4.47Å; L216-Y261 HydrophobicContact CD1-CE1 3.78Å; L216-Y261 HydrophobicContact CD1-CE2 3.95Å; L216-Y261 VanDerWaalsContact CD1-CZ 3.49Å; L216-Y261 HydrophobicContact CG-CE2 3.87Å; L216-H264 HydrophobicContact CB-CB 3.64Å; L216-H264 WeakPolarHBondContact O-CB 3.42Å; L216-L265 HydrophobicContact CD1-CB 3.84Å; L216-L265 HydrophobicContact CD1-CD1 3.84Å; L216-L265 HydrophobicContact CD1-CG 4.41Å; L216-L268 HydrophobicContact CD2-CD2 4.26Å; L216-L300 HydrophobicContact CD1-CD2 4.26Å; L216-L300 HydrophobicContact CD2-CD2 3.91Å
217	K	98.3	Very high	97.5	Very high	97 Å²	97	52.3 Å²	52.3	42%	0.422	25%	0.247	S	C	.	.			trans	-64.2	126.8	176.2	-174.6	170.9	-173.1	166.7	0	110.5	I211 C212 C215 H264	I211-K217 WeakPolarHBondContact CA-O 3.13Å; C212-K217 HydrophobicContact CB-CB 4.48Å; C212-K217 PolarHBondContact N-O 3.44Å; C215-K217 PolarHBondContact O-N 2.94Å; C215-K217 WeakPolarHBondContact SG-CB 3.48Å; K217-H264 PolarHBondContact N-ND1 3.18Å
218	Y	98	Very high	97.7	Very high	64 Å²	64	48.7 Å²	48.7	25%	0.251	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.9	177.1	54	-100.3	0	0	0	112.1	Y199 P200 L203 Y210 L216 H264 L267	Y199-Y218 AromaticContact CD1-CD1 3.87Å; Y199-Y218 HydrophobicContact CD1-CD1 3.87Å; Y199-Y218 HydrophobicContact CD1-CD2 4.09Å; Y199-Y218 HydrophobicContact CD1-CE1 4.36Å; Y199-Y218 AromaticContact CD1-CG 3.71Å; Y199-Y218 HydrophobicContact CD1-CG 3.71Å; Y199-Y218 AromaticContact CE1-CD1 3.48Å; Y199-Y218 HydrophobicContact CE1-CD1 3.48Å; Y199-Y218 VanDerWaalsContact CE1-CD1 3.48Å; Y199-Y218 HydrophobicContact CE1-CD2 4.37Å; Y199-Y218 HydrophobicContact CE1-CE1 4.27Å; Y199-Y218 AromaticContact CE1-CG 3.53Å; Y199-Y218 HydrophobicContact CE1-CG 3.53Å; P200-Y218 HydrophobicContact CG-CE2 3.8Å; L203-Y218 HydrophobicContact CD1-CD2 3.45Å; L203-Y218 VanDerWaalsContact CD1-CD2 3.45Å; L203-Y218 HydrophobicContact CD1-CE2 3.98Å; L203-Y218 HydrophobicContact CD1-CG 4.3Å; Y210-Y218 CarbonylContact O-C 3.58Å; Y210-Y218 WeakPolarHBondContact O-CA 3.05Å; L216-Y218 PolarHBondContact O-N 3.13Å; Y218-H264 AromaticContact CD1-CD2 3.88Å; Y218-H264 AromaticContact CE1-CD2 3.55Å; Y218-H264 AromaticContact CE1-NE2 3.81Å; Y218-L267 HydrophobicContact CD1-CD1 4.33Å; Y218-L267 HydrophobicContact CE1-CD1 3.69Å
219	L	98	Very high	97.7	Very high	23 Å²	23	51.4 Å²	51.4	12%	0.12	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.2	-166.8	-63.5	141.4	0	0	0	109.9	Y210 S221 C224 L225 H228	Y210-L219 PolarHBondContact N-O 3.4Å; Y210-L219 WeakPolarHBondContact O-CB 3.48Å; Y210-L219 PolarHBondContact O-N 3.06Å; L219-S221 PolarHBondContact O-N 3.13Å; L219-C224 HydrophobicContact CB-CB 4.17Å; L219-C224 HydrophobicContact CD2-CB 3.93Å; L219-L225 HydrophobicContact CD1-CB 3.97Å; L219-L225 HydrophobicContact CD1-CD1 3.6Å; L219-L225 HydrophobicContact CD1-CG 4.41Å; L219-H228 HydrophobicContact CD1-CB 4.15Å; L219-H228 HydrophobicContact CD2-CB 4.23Å
220	K	96.1	Very high	97.6	Very high	142 Å²	142	55.6 Å²	55.6	62%	0.617	27%	0.269	S	S	*	.	S	Bend	trans	-76.9	-12.7	-174.7	67.2	179.5	-179.7	178.4	0	116.1	L203 V206	L203-K220 HydrophobicContact CD2-CB 3.62Å; V206-K220 HydrophobicContact CG1-CB 4.47Å
221	S	96.2	Very high	97.6	Very high	38 Å²	38	62.2 Å²	62.2	27%	0.266	30%	0.298	S	S	.	.	S	Bend	trans	-159.8	158.9	-176.9	72.4	0	0	0	0	113	Y210 L219 T223 C224 L225	Y210-S221 VanDerWaalsContact CD2-C 3.43Å; L219-S221 PolarHBondContact O-N 3.13Å; S221-T223 VanDerWaalsContact C-N 3.28Å; S221-T223 PolarHBondContact O-N 2.82Å; S221-C224 WeakPolarHBondContact O-CB 3.44Å; S221-C224 PolarHBondContact O-N 3.04Å; S221-C224 VanDerWaalsContact O-N 3.07Å; S221-C224 PolarHBondContact OG-N 2.8Å; S221-L225 PolarHBondContact O-N 3.2Å
222	F	96.2	Very high	97.5	Very high	112 Å²	112	62.8 Å²	62.8	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-56.4	-39.8	173.8	-177.2	-105.7	0	0	0	112.7	Y210 C224 L225 R226	Y210-F222 HydrophobicContact CD1-CB 4.41Å; Y210-F222 HydrophobicContact CD1-CD2 4.45Å; Y210-F222 HydrophobicContact CE1-CB 3.86Å; Y210-F222 HydrophobicContact CE1-CD2 4.11Å; Y210-F222 HydrophobicContact CE1-CG 4.49Å; Y210-F222 HydrophobicContact CE2-CB 4.5Å; F222-C224 VanDerWaalsContact C-N 3.31Å; F222-C224 PolarHBondContact O-N 3.48Å; F222-L225 WeakPolarHBondContact O-CB 3.49Å; F222-L225 PolarHBondContact O-N 3.05Å; F222-L225 VanDerWaalsContact O-N 3.13Å; F222-R226 PolarHBondContact O-N 3.15Å
223	T	97.7	Very high	97.5	Very high	73 Å²	73	69 Å²	69	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-36.5	176.6	-54.1	0	0	0	0	112.3	S221 R227	S221-T223 VanDerWaalsContact C-N 3.28Å; S221-T223 PolarHBondContact O-N 2.82Å; T223-R227 WeakPolarHBondContact O-CG 3.2Å; T223-R227 PolarHBondContact O-N 3.23Å; T223-R227 PolarHBondContact O-NE 2.97Å
224	C	97.6	Very high	97.5	Very high	19 Å²	19	70.5 Å²	70.5	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-67.3	-42	172.6	-74.6	0	0	0	0	111.4	L219 S221 F222 R227 H228	L219-C224 HydrophobicContact CB-CB 4.17Å; L219-C224 HydrophobicContact CD2-CB 3.93Å; S221-C224 WeakPolarHBondContact O-CB 3.44Å; S221-C224 PolarHBondContact O-N 3.04Å; S221-C224 VanDerWaalsContact O-N 3.07Å; S221-C224 PolarHBondContact OG-N 2.8Å; F222-C224 VanDerWaalsContact C-N 3.31Å; F222-C224 PolarHBondContact O-N 3.48Å; C224-R227 PolarHBondContact O-N 2.86Å; C224-R227 PolarHBondContact SG-NH2 3.47Å; C224-H228 WeakPolarHBondContact O-CB 3.36Å; C224-H228 PolarHBondContact O-N 3.24Å
225	L	97.7	Very high	97.4	Very high	16 Å²	16	75 Å²	75	8%	0.084	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-49.5	174.8	179.2	64.2	0	0	0	112.3	Y210 C212 L219 S221 F222 R227 H228 L229	Y210-L225 HydrophobicContact CD1-CD2 4.08Å; C212-L225 HydrophobicContact CB-CD1 4.28Å; L219-L225 HydrophobicContact CD1-CB 3.97Å; L219-L225 HydrophobicContact CD1-CD1 3.6Å; L219-L225 HydrophobicContact CD1-CG 4.41Å; S221-L225 PolarHBondContact O-N 3.2Å; F222-L225 WeakPolarHBondContact O-CB 3.49Å; F222-L225 PolarHBondContact O-N 3.05Å; F222-L225 VanDerWaalsContact O-N 3.13Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 2.84Å; L225-H228 CarbonylContact O-C 3.41Å; L225-H228 WeakPolarHBondContact O-CA 3.06Å; L225-H228 WeakPolarHBondContact O-CB 3.29Å; L225-H228 PolarHBondContact O-N 3.1Å; L225-L229 HydrophobicContact CD1-CD1 4.17Å; L225-L229 HydrophobicContact CD1-CD2 4.34Å; L225-L229 HydrophobicContact CD1-CG 3.99Å; L225-L229 HydrophobicContact CG-CD1 3.97Å; L225-L229 HydrophobicContact CG-CG 4.22Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 3.2Å
226	R	97.6	Very high	97.4	Very high	156 Å²	156	76.9 Å²	76.9	59%	0.589	37%	0.374	S	S	*	.	H	α-helix	trans	-56.4	-45.7	178.6	-170.5	-178.2	69.5	178.2	1.4	112.1	F222 H228 L229 A230	F222-R226 PolarHBondContact O-N 3.15Å; R226-H228 VanDerWaalsContact C-N 3.31Å; R226-H228 PolarHBondContact O-N 2.8Å; R226-L229 PolarHBondContact O-N 2.92Å; R226-A230 PolarHBondContact O-N 3.36Å
227	R	98.2	Very high	97.4	Very high	148 Å²	148	77 Å²	77	56%	0.558	38%	0.375	S	S	*	.	H	α-helix	trans	-65.4	-34.8	176.1	-73.6	-174.5	-65.6	156.5	-3.1	112.6	T223 C224 L225	T223-R227 WeakPolarHBondContact O-CG 3.2Å; T223-R227 PolarHBondContact O-N 3.23Å; T223-R227 PolarHBondContact O-NE 2.97Å; C224-R227 PolarHBondContact O-N 2.86Å; C224-R227 PolarHBondContact SG-NH2 3.47Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 2.84Å
228	H	98.2	Very high	97.4	Very high	32 Å²	32	73.2 Å²	73.2	15%	0.148	36%	0.361	C	S	.	.	H	α-helix	trans	-68.3	-46.1	175.2	170.2	71	0	0	0	111.6	C212 C215 L219 C224 L225 R226 A230 K231 C232	C212-H228 WeakPolarHBondContact CB-NE2 3.47Å; C212-H228 PolarHBondContact SG-NE2 3.26Å; C215-H228 PolarHBondContact SG-CE1 3.16Å; C215-H228 PolarHBondContact SG-NE2 2.8Å; L219-H228 HydrophobicContact CD1-CB 4.15Å; L219-H228 HydrophobicContact CD2-CB 4.23Å; C224-H228 WeakPolarHBondContact O-CB 3.36Å; C224-H228 PolarHBondContact O-N 3.24Å; L225-H228 CarbonylContact O-C 3.41Å; L225-H228 WeakPolarHBondContact O-CA 3.06Å; L225-H228 WeakPolarHBondContact O-CB 3.29Å; L225-H228 PolarHBondContact O-N 3.1Å; R226-H228 VanDerWaalsContact C-N 3.31Å; R226-H228 PolarHBondContact O-N 2.8Å; H228-A230 PolarHBondContact O-N 3.17Å; H228-K231 CarbonylContact O-C 3.6Å; H228-K231 WeakPolarHBondContact O-CA 3.35Å; H228-K231 PolarHBondContact O-N 2.89Å; H228-C232 WeakPolarHBondContact O-CB 3.36Å; H228-C232 PolarHBondContact O-N 2.89Å
229	L	96.2	Very high	97.3	Very high	71 Å²	71	72.1 Å²	72.1	37%	0.372	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-32.6	179.5	-69.7	175.3	0	0	0	112.7	L225 R226 K231	L225-L229 HydrophobicContact CD1-CD1 4.17Å; L225-L229 HydrophobicContact CD1-CD2 4.34Å; L225-L229 HydrophobicContact CD1-CG 3.99Å; L225-L229 HydrophobicContact CG-CD1 3.97Å; L225-L229 HydrophobicContact CG-CG 4.22Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 3.2Å; R226-L229 PolarHBondContact O-N 2.92Å; L229-K231 PolarHBondContact O-N 2.92Å
230	A	97.1	Very high	97.3	Very high	89 Å²	89	75.4 Å²	75.4	74%	0.736	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.3	172.8	0	0	0	0	0	113.8	R226 H228	R226-A230 PolarHBondContact O-N 3.36Å; H228-A230 PolarHBondContact O-N 3.17Å
231	K	97.5	Very high	97.4	Very high	173 Å²	173	71.4 Å²	71.4	75%	0.752	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-23.6	-178.5	-60.6	-178.9	-178.9	-171.3	0	113.3	H228 L229 T233	H228-K231 CarbonylContact O-C 3.6Å; H228-K231 WeakPolarHBondContact O-CA 3.35Å; H228-K231 PolarHBondContact O-N 2.89Å; L229-K231 PolarHBondContact O-N 2.92Å; K231-T233 PolarHBondContact O-N 2.82Å
232	C	97.4	Very high	97.5	Very high	15 Å²	15	69.9 Å²	69.9	10%	0.101	36%	0.359	C	S	.	.			trans	-73.2	119.6	-175.6	-172.5	0	0	0	0	110.5	H228 R235	H228-C232 WeakPolarHBondContact O-CB 3.36Å; H228-C232 PolarHBondContact O-N 2.89Å; C232-R235 PolarHBondContact O-NH1 2.85Å
233	T	96.6	Very high	97.6	Very high	130 Å²	130	64.7 Å²	64.7	80%	0.798	34%	0.336	S	S	*	.			trans	-90.5	-16.7	179.8	54.1	0	0	0	0	113.3	K231	K231-T233 PolarHBondContact O-N 2.82Å
234	L	97.6	Very high	97.6	Very high	53 Å²	53	66.7 Å²	66.7	28%	0.277	34%	0.335	S	S	.	.			trans	-68.3	135.1	179.7	-71.2	177.1	0	0	0	111.4	F214 C215	F214-L234 HydrophobicContact CB-CB 4.18Å; F214-L234 WeakPolarHBondContact CB-O 3.48Å; F214-L234 WeakPolarHBondContact CD2-O 3.29Å; F214-L234 WeakPolarHBondContact CG-O 3.01Å; C215-L234 HydrophobicContact CB-CB 4.46Å; C215-L234 HydrophobicContact CB-CD1 3.61Å
235	R	97.6	Very high	97.6	Very high	107 Å²	107	69.6 Å²	69.6	40%	0.404	35%	0.346	S	S	.	.	S	Bend	trans	-128.9	1.8	171.7	-64.3	-63.9	179.7	-84.8	-3.4	112.6	C232 Y298	C232-R235 PolarHBondContact O-NH1 2.85Å; R235-Y298 WeakPolarHBondContact O-CD2 3.48Å; R235-Y298 PolarHBondContact O-N 2.99Å
236	N	97.9	Very high	97.5	Very high	56 Å²	56	75.1 Å²	75.1	30%	0.299	38%	0.375	S	S	.	.	S	Bend	trans	-146.7	163.3	173.7	53.7	61.6	0	0	0	110.2	F251 Y298	N236-F251 HydrophobicContact CB-CE1 3.93Å; N236-F251 HydrophobicContact CB-CE2 4.35Å; N236-F251 HydrophobicContact CB-CZ 3.7Å; N236-Y298 HydrophobicContact CB-CD1 4.48Å; N236-Y298 HydrophobicContact CB-CD2 3.55Å; N236-Y298 HydrophobicContact CB-CE2 4.2Å; N236-Y298 HydrophobicContact CB-CG 3.72Å
237	P	98.4	Very high	97.5	Very high	3 Å²	3	70.8 Å²	70.8	2%	0.019	37%	0.367	C	S	.	.			trans	-56.1	136	168.7	-20.2	31.2	0	0	0	110.5	F251 I253 Y261 V289 C291	P237-F251 HydrophobicContact CB-CB 3.93Å; P237-F251 HydrophobicContact CB-CD2 4.33Å; P237-F251 HydrophobicContact CB-CG 4Å; P237-F251 HydrophobicContact CG-CB 4.27Å; P237-F251 HydrophobicContact CG-CD2 3.87Å; P237-F251 HydrophobicContact CG-CE2 4.47Å; P237-F251 HydrophobicContact CG-CG 4.06Å; P237-F251 WeakPolarHBondContact O-CD1 3.28Å; P237-I253 HydrophobicContact CB-CD1 3.74Å; P237-Y261 HydrophobicContact CB-CE1 4.35Å; P237-Y261 WeakPolarHBondContact CB-OH 3.44Å; P237-V289 HydrophobicContact CB-CB 4.28Å; P237-V289 HydrophobicContact CB-CG1 4.16Å; P237-V289 HydrophobicContact CG-CB 4.13Å; P237-V289 HydrophobicContact CG-CG1 3.56Å; P237-C291 VanDerWaalsContact CG-SG 3.52Å
238	P	97.2	Very high	97.5	Very high	18 Å²	18	64.4 Å²	64.4	12%	0.117	34%	0.343	C	S	.	.	S	Bend	trans	-69.1	147.4	178.4	32.5	-35.8	0	0	0	109.9	I253 N258 Y261	P238-I253 WeakPolarHBondContact O-CD1 3.33Å; P238-I253 WeakPolarHBondContact O-CG1 3.4Å; P238-N258 HydrophobicContact CG-CB 4.13Å; P238-Y261 HydrophobicContact CG-CD1 4.08Å; P238-Y261 HydrophobicContact CG-CD2 3.6Å; P238-Y261 HydrophobicContact CG-CE2 4.21Å; P238-Y261 HydrophobicContact CG-CG 3.51Å
239	G	96.5	Very high	97.5	Very high	40 Å²	40	62.9 Å²	62.9	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	121	-157.8	-176.2	0	0	0	0	0	111.4	E252	G239-E252 WeakPolarHBondContact CA-O 3.33Å
240	N	97.3	Very high	97.6	Very high	92 Å²	92	59.5 Å²	59.5	49%	0.492	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.3	-175.7	-62.3	-42.8	0	0	0	109.8	V242 F251 E252	N240-V242 HydrophobicContact CB-CG1 4.39Å; N240-V242 PolarHBondContact O-N 3.17Å; N240-F251 CarbonylContact O-C 3.57Å; N240-F251 VanDerWaalsContact O-CA 3.31Å; N240-F251 WeakPolarHBondContact O-CA 3.3Å; N240-E252 PolarHBondContact N-O 3.46Å; N240-E252 PolarHBondContact O-N 2.88Å
241	E	98.2	Very high	97.7	Very high	59 Å²	59	55.6 Å²	55.6	28%	0.276	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	115.9	164.8	-172.5	178.6	-143.2	0	0	108.8	R244 S249 F250 F251	E241-R244 IonicContact OE1-CZ 3Å; E241-R244 IonicContact OE1-NE 2.53Å; E241-R244 PolarHBondContact OE1-NE 3.04Å; E241-R244 IonicContact OE1-NH2 2.68Å; E241-R244 PolarHBondContact OE1-NH2 3.02Å; E241-R244 IonicContact OE2-CZ 3.49Å; E241-R244 IonicContact OE2-NE 3.96Å; E241-R244 PolarHBondContact OE2-NE 2.84Å; E241-R244 IonicContact OE2-NH1 3.26Å; E241-R244 IonicContact OE2-NH2 2.91Å; E241-R244 PolarHBondContact OE2-NH2 2.93Å; E241-S249 WeakPolarHBondContact CG-OG 3.29Å; E241-S249 WeakPolarHBondContact OE1-CB 3.32Å; E241-S249 PolarHBondContact OE1-OG 3.05Å; E241-F250 WeakPolarHBondContact CA-O 3.47Å; E241-F251 HydrophobicContact CB-CD1 4.04Å; E241-F251 HydrophobicContact CB-CE1 3.71Å; E241-F251 HydrophobicContact CB-CZ 4.06Å; E241-F251 HydrophobicContact CG-CE1 4.29Å; E241-F251 HydrophobicContact CG-CE2 4.46Å; E241-F251 HydrophobicContact CG-CZ 4.14Å
242	V	98.2	Very high	97.7	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-13.4	-175.5	-67.4	0	0	0	0	112.2	N240 F250 E252 Y288 F337 L450 N451	N240-V242 HydrophobicContact CB-CG1 4.39Å; N240-V242 PolarHBondContact O-N 3.17Å; V242-F250 HydrophobicContact CG2-CB 4.13Å; V242-F250 WeakPolarHBondContact CG2-O 3.25Å; V242-F250 PolarHBondContact N-O 3.14Å; V242-E252 HydrophobicContact CG1-CB 3.67Å; V242-E252 HydrophobicContact CG2-CB 4.29Å; V242-Y288 HydrophobicContact CG2-CD1 4.49Å; V242-F337 HydrophobicContact CG2-CZ 3.97Å; V242-L450 HydrophobicContact CB-CD1 4.47Å; V242-L450 CarbonylContact O-C 3.55Å; V242-L450 WeakPolarHBondContact O-CD1 3.41Å; V242-N451 PolarHBondContact O-N 2.91Å
243	Y	98.5	Very high	97.8	Very high	3 Å²	3	47 Å²	47	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	139.2	179.6	176.2	-85.4	0	0	0	110.9	K245 S249 F250 Y333 F337 V445 D446 L449 L450	Y243-K245 HydrophobicContact CE1-CB 3.63Å; Y243-K245 VanDerWaalsContact OH-CB 3.26Å; Y243-K245 WeakPolarHBondContact OH-CB 3.11Å; Y243-K245 WeakPolarHBondContact OH-CD 3.3Å; Y243-S249 CarbonylContact O-C 3.47Å; Y243-S249 WeakPolarHBondContact O-CA 3.45Å; Y243-S249 PolarHBondContact O-OG 2.77Å; Y243-F250 AromaticContact CD1-CD2 3.81Å; Y243-F250 HydrophobicContact CD1-CD2 3.81Å; Y243-F250 HydrophobicContact CD1-CE2 4.47Å; Y243-F250 HydrophobicContact CG-CD2 4.35Å; Y243-F250 PolarHBondContact N-O 2.81Å; Y243-F250 PolarHBondContact O-N 2.8Å; Y243-Y333 WeakPolarHBondContact CE1-OH 3.04Å; Y243-Y333 PolarHBondContact OH-OH 2.84Å; Y243-F337 HydrophobicContact CD1-CE2 4.34Å; Y243-F337 AromaticContact CD2-CE2 3.99Å; Y243-F337 HydrophobicContact CD2-CE2 3.99Å; Y243-F337 AromaticContact CG-CE2 3.71Å; Y243-F337 HydrophobicContact CG-CE2 3.71Å; Y243-V445 HydrophobicContact CD2-CG1 4.47Å; Y243-V445 HydrophobicContact CE2-CG1 3.91Å; Y243-D446 WeakPolarHBondContact CE2-O 3.2Å; Y243-D446 PolarHBondContact OH-N 3.38Å; Y243-L449 HydrophobicContact CD2-CB 4.03Å; Y243-L449 HydrophobicContact CE2-CB 3.74Å; Y243-L450 HydrophobicContact CD2-CB 4.28Å
244	R	97.7	Very high	97.8	Very high	114 Å²	114	41.3 Å²	41.3	43%	0.43	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	123.2	172.6	-174.7	-177.4	-73.6	164.5	-4.9	111	E241 L246 Y298	E241-R244 IonicContact OE1-CZ 3Å; E241-R244 IonicContact OE1-NE 2.53Å; E241-R244 PolarHBondContact OE1-NE 3.04Å; E241-R244 IonicContact OE1-NH2 2.68Å; E241-R244 PolarHBondContact OE1-NH2 3.02Å; E241-R244 IonicContact OE2-CZ 3.49Å; E241-R244 IonicContact OE2-NE 3.96Å; E241-R244 PolarHBondContact OE2-NE 2.84Å; E241-R244 IonicContact OE2-NH1 3.26Å; E241-R244 IonicContact OE2-NH2 2.91Å; E241-R244 PolarHBondContact OE2-NH2 2.93Å; R244-L246 HydrophobicContact CG-CD2 4.49Å; R244-Y298 PolarHBondContact NH2-OH 3.28Å
245	K	97.3	Very high	97.7	Very high	81 Å²	81	38.8 Å²	38.8	35%	0.352	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	97.9	169	-179.6	178.8	175.7	177.8	0	107.1	Y243 H248 R444 D446 L449	Y243-K245 HydrophobicContact CE1-CB 3.63Å; Y243-K245 VanDerWaalsContact OH-CB 3.26Å; Y243-K245 WeakPolarHBondContact OH-CB 3.11Å; Y243-K245 WeakPolarHBondContact OH-CD 3.3Å; K245-H248 CarbonylContact C-O 3.52Å; K245-H248 PolarHBondContact N-O 3.47Å; K245-H248 WeakPolarHBondContact O-CA 3.33Å; K245-H248 WeakPolarHBondContact O-CB 3.34Å; K245-H248 PolarHBondContact O-N 3.39Å; K245-H248 VanDerWaalsContact O-O 3.08Å; K245-R444 PolarHBondContact NZ-O 3.13Å; K245-R444 VanDerWaalsContact NZ-O 3.12Å; K245-D446 HydrophobicContact CD-CB 4.49Å; K245-L449 HydrophobicContact CB-CD1 3.82Å; K245-L449 HydrophobicContact CD-CD1 4.25Å; K245-L449 HydrophobicContact CG-CD1 4.08Å
246	L	96.2	Very high	97.6	Very high	131 Å²	131	41.8 Å²	41.8	69%	0.686	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	139.6	-170.1	-68.8	177.8	0	0	0	112	R244 H248 V293	R244-L246 HydrophobicContact CG-CD2 4.49Å; L246-H248 VanDerWaalsContact C-N 3.32Å; L246-V293 HydrophobicContact CD2-CB 4.32Å
247	P	96.8	Very high	97.5	Very high	65 Å²	65	44.9 Å²	44.9	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	15.6	4.6	36.8	-37.1	0	0	0	114.2	E292 V293	P247-E292 CarbonylContact O-C 3.57Å; P247-E292 WeakPolarHBondContact O-CA 3.26Å; P247-V293 PolarHBondContact O-N 3.14Å
248	H	98.3	Very high	97.5	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.069	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.2	-172.9	-51.6	105	0	0	0	113.6	K245 L246 L290 C291 Y330 Y333 L443	K245-H248 CarbonylContact C-O 3.52Å; K245-H248 PolarHBondContact N-O 3.47Å; K245-H248 WeakPolarHBondContact O-CA 3.33Å; K245-H248 WeakPolarHBondContact O-CB 3.34Å; K245-H248 PolarHBondContact O-N 3.39Å; K245-H248 VanDerWaalsContact O-O 3.08Å; L246-H248 VanDerWaalsContact C-N 3.32Å; H248-L290 HydrophobicContact CB-CD1 4.12Å; H248-C291 WeakPolarHBondContact CA-O 3.4Å; H248-Y330 AromaticContact CD2-CE1 3.61Å; H248-Y330 AromaticContact NE2-CE1 3.36Å; H248-Y330 WeakPolarHBondContact NE2-CE1 3.48Å; H248-Y330 AromaticContact NE2-CZ 3.63Å; H248-Y330 PolarHBondContact NE2-OH 3.39Å; H248-Y333 HydrophobicContact CB-CE1 3.98Å; H248-L443 VanDerWaalsContact CE1-CD2 3.43Å; H248-L443 WeakPolarHBondContact CE1-CD2 3.48Å
249	S	98.4	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143	174.4	173.3	0	0	0	0	111	E241 Y243 F251 L290 C291	E241-S249 WeakPolarHBondContact CG-OG 3.29Å; E241-S249 WeakPolarHBondContact OE1-CB 3.32Å; E241-S249 PolarHBondContact OE1-OG 3.05Å; Y243-S249 CarbonylContact O-C 3.47Å; Y243-S249 WeakPolarHBondContact O-CA 3.45Å; Y243-S249 PolarHBondContact O-OG 2.77Å; S249-F251 WeakPolarHBondContact OG-CE2 3.49Å; S249-L290 WeakPolarHBondContact O-CA 3.44Å; S249-C291 PolarHBondContact N-O 3.44Å; S249-C291 PolarHBondContact O-N 3.23Å
250	F	98.7	Very high	97.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.2	171	-76.1	-102.8	0	0	0	111.7	E241 V242 Y243 V289 L290 F304 Y333 L334 F337	E241-F250 WeakPolarHBondContact CA-O 3.47Å; V242-F250 HydrophobicContact CG2-CB 4.13Å; V242-F250 WeakPolarHBondContact CG2-O 3.25Å; V242-F250 PolarHBondContact N-O 3.14Å; Y243-F250 AromaticContact CD1-CD2 3.81Å; Y243-F250 HydrophobicContact CD1-CD2 3.81Å; Y243-F250 HydrophobicContact CD1-CE2 4.47Å; Y243-F250 HydrophobicContact CG-CD2 4.35Å; Y243-F250 PolarHBondContact N-O 2.81Å; Y243-F250 PolarHBondContact O-N 2.8Å; F250-V289 CarbonylContact C-O 3.56Å; F250-V289 VanDerWaalsContact CA-O 3.29Å; F250-V289 WeakPolarHBondContact CA-O 3.45Å; F250-L290 HydrophobicContact CD1-CB 4.22Å; F250-L290 HydrophobicContact CD2-CD1 4Å; F250-L290 HydrophobicContact CE1-CB 3.89Å; F250-L290 HydrophobicContact CE1-CD1 4.47Å; F250-L290 HydrophobicContact CE2-CD1 3.62Å; F250-L290 HydrophobicContact CZ-CB 4.06Å; F250-L290 HydrophobicContact CZ-CD1 3.89Å; F250-L290 HydrophobicContact CZ-CD2 4.42Å; F250-L290 HydrophobicContact CZ-CG 4.33Å; F250-F304 HydrophobicContact CE1-CE1 4.42Å; F250-Y333 HydrophobicContact CE2-CD1 4.13Å; F250-Y333 AromaticContact CE2-CE1 3.73Å; F250-Y333 HydrophobicContact CE2-CE1 3.73Å; F250-Y333 HydrophobicContact CZ-CD1 4.27Å; F250-Y333 HydrophobicContact CZ-CE1 4.34Å; F250-L334 HydrophobicContact CE1-CD2 3.54Å; F250-L334 HydrophobicContact CZ-CD2 3.9Å; F250-F337 HydrophobicContact CB-CE1 4.29Å; F250-F337 HydrophobicContact CB-CE2 4.04Å; F250-F337 HydrophobicContact CB-CZ 3.78Å; F250-F337 AromaticContact CD1-CD1 3.91Å; F250-F337 HydrophobicContact CD1-CD1 3.91Å; F250-F337 HydrophobicContact CD1-CD2 4.22Å; F250-F337 AromaticContact CD1-CE1 3.96Å; F250-F337 HydrophobicContact CD1-CE1 3.96Å; F250-F337 HydrophobicContact CD1-CE2 4.27Å; F250-F337 HydrophobicContact CD1-CG 4.04Å; F250-F337 HydrophobicContact CD1-CZ 4.14Å; F250-F337 AromaticContact CD2-CD2 3.68Å; F250-F337 HydrophobicContact CD2-CD2 3.68Å; F250-F337 AromaticContact CD2-CE2 3.65Å; F250-F337 HydrophobicContact CD2-CE2 3.65Å; F250-F337 HydrophobicContact CD2-CG 4.26Å; F250-F337 HydrophobicContact CD2-CZ 4.21Å; F250-F337 HydrophobicContact CE1-CB 4.01Å; F250-F337 AromaticContact CE1-CD1 3.89Å; F250-F337 HydrophobicContact CE1-CD1 3.89Å; F250-F337 HydrophobicContact CE1-CD2 4.13Å; F250-F337 HydrophobicContact CE1-CE1 4.41Å; F250-F337 AromaticContact CE1-CG 3.72Å; F250-F337 HydrophobicContact CE1-CG 3.72Å; F250-F337 HydrophobicContact CE2-CB 4.31Å; F250-F337 AromaticContact CE2-CD2 3.58Å; F250-F337 HydrophobicContact CE2-CD2 3.58Å; F250-F337 HydrophobicContact CE2-CE2 4.07Å; F250-F337 AromaticContact CE2-CG 3.98Å; F250-F337 HydrophobicContact CE2-CG 3.98Å; F250-F337 HydrophobicContact CG-CD1 4.36Å; F250-F337 AromaticContact CG-CD2 3.99Å; F250-F337 HydrophobicContact CG-CD2 3.99Å; F250-F337 HydrophobicContact CG-CE1 4.13Å; F250-F337 AromaticContact CG-CE2 3.75Å; F250-F337 HydrophobicContact CG-CE2 3.75Å; F250-F337 HydrophobicContact CG-CG 4.28Å; F250-F337 AromaticContact CG-CZ 3.82Å; F250-F337 HydrophobicContact CG-CZ 3.82Å; F250-F337 HydrophobicContact CZ-CB 3.75Å; F250-F337 HydrophobicContact CZ-CD1 4.34Å; F250-F337 AromaticContact CZ-CD2 3.82Å; F250-F337 HydrophobicContact CZ-CD2 3.82Å; F250-F337 AromaticContact CZ-CG 3.7Å; F250-F337 HydrophobicContact CZ-CG 3.7Å
251	F	98.7	Very high	97.5	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.1	173.3	-68	-100.2	0	0	0	110.6	N236 P237 N240 E241 S249 Y288 V289 Y298	N236-F251 HydrophobicContact CB-CE1 3.93Å; N236-F251 HydrophobicContact CB-CE2 4.35Å; N236-F251 HydrophobicContact CB-CZ 3.7Å; P237-F251 HydrophobicContact CB-CB 3.93Å; P237-F251 HydrophobicContact CB-CD2 4.33Å; P237-F251 HydrophobicContact CB-CG 4Å; P237-F251 HydrophobicContact CG-CB 4.27Å; P237-F251 HydrophobicContact CG-CD2 3.87Å; P237-F251 HydrophobicContact CG-CE2 4.47Å; P237-F251 HydrophobicContact CG-CG 4.06Å; P237-F251 WeakPolarHBondContact O-CD1 3.28Å; N240-F251 CarbonylContact O-C 3.57Å; N240-F251 VanDerWaalsContact O-CA 3.31Å; N240-F251 WeakPolarHBondContact O-CA 3.3Å; E241-F251 HydrophobicContact CB-CD1 4.04Å; E241-F251 HydrophobicContact CB-CE1 3.71Å; E241-F251 HydrophobicContact CB-CZ 4.06Å; E241-F251 HydrophobicContact CG-CE1 4.29Å; E241-F251 HydrophobicContact CG-CE2 4.46Å; E241-F251 HydrophobicContact CG-CZ 4.14Å; S249-F251 WeakPolarHBondContact OG-CE2 3.49Å; F251-Y288 CarbonylContact O-C 3.6Å; F251-Y288 VanDerWaalsContact O-CA 3.31Å; F251-Y288 WeakPolarHBondContact O-CA 3.39Å; F251-V289 PolarHBondContact N-O 3.21Å; F251-V289 PolarHBondContact O-N 3.32Å; F251-Y298 AromaticContact CE2-CD1 3.41Å; F251-Y298 HydrophobicContact CE2-CD1 3.41Å; F251-Y298 VanDerWaalsContact CE2-CD1 3.41Å; F251-Y298 AromaticContact CE2-CE1 3.82Å; F251-Y298 HydrophobicContact CE2-CE1 3.82Å; F251-Y298 HydrophobicContact CE2-CG 4.1Å; F251-Y298 AromaticContact CZ-CD1 3.6Å; F251-Y298 HydrophobicContact CZ-CD1 3.6Å; F251-Y298 AromaticContact CZ-CE1 3.66Å; F251-Y298 HydrophobicContact CZ-CE1 3.66Å; F251-Y298 HydrophobicContact CZ-CG 4.14Å
252	E	98.6	Very high	97.5	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.2	166.4	179.9	-174.8	84.5	0	0	109.7	G239 N240 V242 F287 Y288 W452 R455	G239-E252 WeakPolarHBondContact CA-O 3.33Å; N240-E252 PolarHBondContact N-O 3.46Å; N240-E252 PolarHBondContact O-N 2.88Å; V242-E252 HydrophobicContact CG1-CB 3.67Å; V242-E252 HydrophobicContact CG2-CB 4.29Å; E252-F287 WeakPolarHBondContact CA-O 3.44Å; E252-Y288 HydrophobicContact CB-CD1 4.16Å; E252-Y288 HydrophobicContact CB-CE1 3.83Å; E252-Y288 HydrophobicContact CG-CD1 4.45Å; E252-Y288 HydrophobicContact CG-CE1 3.79Å; E252-Y288 PolarHBondContact OE2-OH 2.92Å; E252-W452 PolarHBondContact OE2-NE1 3.47Å; E252-R455 IonicContact OE1-CZ 3.72Å; E252-R455 VanDerWaalsContact OE1-CZ 3.27Å; E252-R455 IonicContact OE1-NH1 2.68Å; E252-R455 PolarHBondContact OE1-NH1 3.33Å; E252-R455 IonicContact OE1-NH2 3.22Å; E252-R455 PolarHBondContact OE1-NH2 3.24Å
253	I	98.3	Very high	97.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122	-179.7	-42.1	-170.1	0	0	0	108.8	P237 P238 G255 N258 Y261 L286 F287 V289	P237-I253 HydrophobicContact CB-CD1 3.74Å; P238-I253 WeakPolarHBondContact O-CD1 3.33Å; P238-I253 WeakPolarHBondContact O-CG1 3.4Å; I253-G255 PolarHBondContact O-N 3.12Å; I253-N258 HydrophobicContact CG2-CB 3.59Å; I253-Y261 HydrophobicContact CD1-CD1 3.58Å; I253-Y261 HydrophobicContact CD1-CE1 3.3Å; I253-L286 CarbonylContact O-C 3.59Å; I253-L286 WeakPolarHBondContact O-CA 3.44Å; I253-F287 HydrophobicContact CB-CB 4.17Å; I253-F287 PolarHBondContact N-O 3.44Å; I253-F287 PolarHBondContact O-N 3.24Å; I253-V289 HydrophobicContact CD1-CB 4.35Å; I253-V289 HydrophobicContact CD1-CG2 3.58Å; I253-V289 HydrophobicContact CG1-CG2 4.24Å
254	D	97	Very high	97.4	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.064	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.6	168	-175.6	-29.4	0	0	0	109.8	R256 K257 N258 L286 K308	D254-R256 PolarHBondContact O-N 3.37Å; D254-R256 WeakPolarHBondContact OD1-CB 3.19Å; D254-R256 PolarHBondContact OD1-N 3.11Å; D254-K257 HydrophobicContact CB-CB 4.05Å; D254-K257 HydrophobicContact CB-CD 4.14Å; D254-K257 HydrophobicContact CB-CG 4Å; D254-K257 PolarHBondContact O-N 2.94Å; D254-K257 PolarHBondContact OD1-N 3.3Å; D254-N258 PolarHBondContact O-N 3.47Å; D254-L286 HydrophobicContact CB-CD2 4.25Å; D254-K308 WeakPolarHBondContact OD1-CE 3.37Å; D254-K308 IonicContact OD1-NZ 3.89Å; D254-K308 PolarHBondContact OD1-NZ 2.8Å; D254-K308 IonicContact OD2-NZ 2.83Å; D254-K308 PolarHBondContact OD2-NZ 2.68Å
255	G	96.6	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.9	-178.5	0	0	0	0	0	115.1	I253 K259 T282 F285	I253-G255 PolarHBondContact O-N 3.12Å; G255-K259 VanDerWaalsContact O-CA 3.31Å; G255-K259 WeakPolarHBondContact O-CA 3.19Å; G255-T282 CarbonylContact C-O 3.43Å; G255-T282 WeakPolarHBondContact CA-O 3.27Å; G255-T282 PolarHBondContact O-OG1 2.79Å; G255-F285 PolarHBondContact N-O 2.93Å
256	R	94.6	Very high	97.5	Very high	170 Å²	170	39.6 Å²	39.6	64%	0.642	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-43.8	171.6	-177	175.9	176.5	-179	-1.7	111.2	D254 D283	D254-R256 PolarHBondContact O-N 3.37Å; D254-R256 WeakPolarHBondContact OD1-CB 3.19Å; D254-R256 PolarHBondContact OD1-N 3.11Å; R256-D283 HydrophobicContact CB-CB 4.26Å
257	K	96.3	Very high	97.5	Very high	120 Å²	120	33.5 Å²	33.5	52%	0.522	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-35.3	-178.9	-61.7	-174.4	-179.8	-166.6	0	112.5	D254 W463	D254-K257 HydrophobicContact CB-CB 4.05Å; D254-K257 HydrophobicContact CB-CD 4.14Å; D254-K257 HydrophobicContact CB-CG 4Å; D254-K257 PolarHBondContact O-N 2.94Å; D254-K257 PolarHBondContact OD1-N 3.3Å; K257-W463 WeakPolarHBondContact CE-OXT 3.4Å; K257-W463 PolarHBondContact NZ-OXT 3.06Å
258	N	97.4	Very high	97.6	Very high	44 Å²	44	30.5 Å²	30.5	24%	0.235	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	45.2	-176.3	-60	-71.3	0	0	0	111.9	P238 I253 D254 T260 Y261 A262	P238-N258 HydrophobicContact CG-CB 4.13Å; I253-N258 HydrophobicContact CG2-CB 3.59Å; D254-N258 PolarHBondContact O-N 3.47Å; N258-T260 VanDerWaalsContact C-N 3.34Å; N258-T260 PolarHBondContact O-N 3.39Å; N258-Y261 PolarHBondContact O-N 2.66Å; N258-A262 PolarHBondContact O-N 3.3Å
259	K	96.5	Very high	97.5	Very high	84 Å²	84	29.9 Å²	29.9	37%	0.365	14%	0.137	S	C	.	.	H	α-helix	trans	-48.4	-49.5	-171.4	-169.9	164.1	-168.7	128.9	0	113.9	G255 Y261 A262 Q263 D283	G255-K259 VanDerWaalsContact O-CA 3.31Å; G255-K259 WeakPolarHBondContact O-CA 3.19Å; K259-Y261 PolarHBondContact O-N 3.2Å; K259-A262 PolarHBondContact O-N 3.3Å; K259-Q263 HydrophobicContact CG-CG 4.44Å; K259-Q263 WeakPolarHBondContact O-CB 3.18Å; K259-Q263 VanDerWaalsContact O-CG 3.29Å; K259-Q263 WeakPolarHBondContact O-CG 3.18Å; K259-Q263 PolarHBondContact O-N 3.26Å; K259-D283 IonicContact NZ-OD1 3.86Å; K259-D283 PolarHBondContact NZ-OD1 3.13Å; K259-D283 IonicContact NZ-OD2 3.32Å
260	T	96.8	Very high	97.3	Very high	90 Å²	90	30.9 Å²	30.9	55%	0.552	14%	0.141	S	C	*	.	H	α-helix	trans	-59	-45.1	179.7	-52.3	0	0	0	0	112.6	N258 H264	N258-T260 VanDerWaalsContact C-N 3.34Å; N258-T260 PolarHBondContact O-N 3.39Å; T260-H264 PolarHBondContact O-CD2 3.02Å; T260-H264 PolarHBondContact O-N 2.72Å; T260-H264 VanDerWaalsContact O-N 3.08Å; T260-H264 PolarHBondContact O-ND1 3.15Å
261	Y	98.5	Very high	97.1	Very high	14 Å²	14	30.9 Å²	30.9	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-45.3	179.2	-173.6	-82.8	0	0	0	111.2	F214 L216 P237 P238 I253 N258 K259 Q263 H264 L265 V289	F214-Y261 VanDerWaalsContact O-CE2 3.25Å; F214-Y261 WeakPolarHBondContact O-CE2 3.46Å; L216-Y261 HydrophobicContact CD1-CD1 4.47Å; L216-Y261 HydrophobicContact CD1-CE1 3.78Å; L216-Y261 HydrophobicContact CD1-CE2 3.95Å; L216-Y261 VanDerWaalsContact CD1-CZ 3.49Å; L216-Y261 HydrophobicContact CG-CE2 3.87Å; P237-Y261 HydrophobicContact CB-CE1 4.35Å; P237-Y261 WeakPolarHBondContact CB-OH 3.44Å; P238-Y261 HydrophobicContact CG-CD1 4.08Å; P238-Y261 HydrophobicContact CG-CD2 3.6Å; P238-Y261 HydrophobicContact CG-CE2 4.21Å; P238-Y261 HydrophobicContact CG-CG 3.51Å; I253-Y261 HydrophobicContact CD1-CD1 3.58Å; I253-Y261 HydrophobicContact CD1-CE1 3.3Å; N258-Y261 PolarHBondContact O-N 2.66Å; K259-Y261 PolarHBondContact O-N 3.2Å; Y261-Q263 VanDerWaalsContact C-N 3.34Å; Y261-Q263 PolarHBondContact O-N 3.26Å; Y261-H264 PolarHBondContact O-N 3.06Å; Y261-L265 HydrophobicContact CE1-CB 4.46Å; Y261-L265 HydrophobicContact CE1-CD2 4.34Å; Y261-L265 WeakPolarHBondContact O-CB 3.34Å; Y261-L265 PolarHBondContact O-N 2.79Å; Y261-V289 HydrophobicContact CE1-CG2 4.49Å
262	A	98.1	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-41.7	179.5	0	0	0	0	0	111.8	N258 K259 L265 C266 T282 F287	N258-A262 PolarHBondContact O-N 3.3Å; K259-A262 PolarHBondContact O-N 3.3Å; A262-L265 PolarHBondContact O-N 2.77Å; A262-C266 WeakPolarHBondContact O-CB 3.47Å; A262-C266 PolarHBondContact O-N 2.84Å; A262-C266 PolarHBondContact O-SG 3.38Å; A262-C266 VanDerWaalsContact O-SG 3.39Å; A262-T282 HydrophobicContact CB-CG2 3.73Å; A262-F287 HydrophobicContact CB-CD2 4.1Å; A262-F287 HydrophobicContact CB-CE2 3.63Å; A262-F287 HydrophobicContact CB-CZ 4.03Å
263	Q	97.4	Very high	96.5	Very high	48 Å²	48	31.4 Å²	31.4	22%	0.224	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-44	175.4	-72.7	178.6	-18.3	0	0	111.8	K259 Y261 L265 C266 L267 Y280 T282	K259-Q263 HydrophobicContact CG-CG 4.44Å; K259-Q263 WeakPolarHBondContact O-CB 3.18Å; K259-Q263 VanDerWaalsContact O-CG 3.29Å; K259-Q263 WeakPolarHBondContact O-CG 3.18Å; K259-Q263 PolarHBondContact O-N 3.26Å; Y261-Q263 VanDerWaalsContact C-N 3.34Å; Y261-Q263 PolarHBondContact O-N 3.26Å; Q263-L265 VanDerWaalsContact C-N 3.33Å; Q263-L265 PolarHBondContact O-N 3.1Å; Q263-C266 PolarHBondContact O-N 3Å; Q263-L267 WeakPolarHBondContact O-CG 3.33Å; Q263-L267 PolarHBondContact O-N 2.89Å; Q263-Y280 PolarHBondContact NE2-O 3.45Å; Q263-T282 HydrophobicContact CG-CG2 3.92Å
264	H	98.2	Very high	95.8	Very high	21 Å²	21	32.1 Å²	32.1	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-42.1	174.7	-67.6	167.2	0	0	0	112.3	C215 L216 K217 Y218 T260 Y261 L267 L268	C215-H264 PolarHBondContact O-ND1 3.4Å; L216-H264 HydrophobicContact CB-CB 3.64Å; L216-H264 WeakPolarHBondContact O-CB 3.42Å; K217-H264 PolarHBondContact N-ND1 3.18Å; Y218-H264 AromaticContact CD1-CD2 3.88Å; Y218-H264 AromaticContact CE1-CD2 3.55Å; Y218-H264 AromaticContact CE1-NE2 3.81Å; T260-H264 PolarHBondContact O-CD2 3.02Å; T260-H264 PolarHBondContact O-N 2.72Å; T260-H264 VanDerWaalsContact O-N 3.08Å; T260-H264 PolarHBondContact O-ND1 3.15Å; Y261-H264 PolarHBondContact O-N 3.06Å; H264-L267 PolarHBondContact O-N 2.75Å; H264-L268 WeakPolarHBondContact O-CB 3.27Å; H264-L268 PolarHBondContact O-N 2.89Å
265	L	98.4	Very high	94.9	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-43.3	176.5	-178.5	60.4	0	0	0	111.3	L216 Y261 A262 Q263 L268 A269 F287 V289 L300 Y303	L216-L265 HydrophobicContact CD1-CB 3.84Å; L216-L265 HydrophobicContact CD1-CD1 3.84Å; L216-L265 HydrophobicContact CD1-CG 4.41Å; Y261-L265 HydrophobicContact CE1-CB 4.46Å; Y261-L265 HydrophobicContact CE1-CD2 4.34Å; Y261-L265 WeakPolarHBondContact O-CB 3.34Å; Y261-L265 PolarHBondContact O-N 2.79Å; A262-L265 PolarHBondContact O-N 2.77Å; Q263-L265 VanDerWaalsContact C-N 3.33Å; Q263-L265 PolarHBondContact O-N 3.1Å; L265-L268 PolarHBondContact O-N 3.27Å; L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.35Å; L265-A269 PolarHBondContact O-N 2.78Å; L265-F287 HydrophobicContact CD2-CB 4.16Å; L265-F287 HydrophobicContact CD2-CD1 3.84Å; L265-F287 HydrophobicContact CD2-CG 4.24Å; L265-V289 HydrophobicContact CD2-CG2 3.82Å; L265-L300 HydrophobicContact CD1-CD2 4.11Å; L265-Y303 HydrophobicContact CD1-CD1 3.73Å; L265-Y303 HydrophobicContact CD1-CE1 3.98Å; L265-Y303 HydrophobicContact CD1-CG 4.09Å; L265-Y303 HydrophobicContact CD2-CD1 4.3Å; L265-Y303 HydrophobicContact CD2-CD2 3.74Å; L265-Y303 HydrophobicContact CD2-CE2 4.1Å; L265-Y303 HydrophobicContact CD2-CG 3.86Å; L265-Y303 HydrophobicContact CG-CD1 4.12Å; L265-Y303 HydrophobicContact CG-CD2 4.25Å; L265-Y303 HydrophobicContact CG-CE1 4.11Å; L265-Y303 HydrophobicContact CG-CE2 4.25Å; L265-Y303 HydrophobicContact CG-CG 4.19Å
266	C	97.5	Very high	94.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-43.1	176.3	-77.5	0	0	0	0	113	A262 Q263 A269 K270 K276	A262-C266 WeakPolarHBondContact O-CB 3.47Å; A262-C266 PolarHBondContact O-N 2.84Å; A262-C266 PolarHBondContact O-SG 3.38Å; A262-C266 VanDerWaalsContact O-SG 3.39Å; Q263-C266 PolarHBondContact O-N 3Å; C266-A269 PolarHBondContact O-N 3.37Å; C266-K270 WeakPolarHBondContact O-CB 3.42Å; C266-K270 PolarHBondContact O-N 2.82Å; C266-K276 VanDerWaalsContact SG-CE 3.5Å
267	L	96.6	Very high	93.4	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-45.3	175.8	-72.2	172.2	0	0	0	111.4	S197 P198 Y199 Y218 Q263 H264 A269 K270 Y279	S197-L267 PolarHBondContact OG-O 2.82Å; P198-L267 HydrophobicContact CG-CD2 3.87Å; P198-L267 WeakPolarHBondContact O-CD2 3.31Å; Y199-L267 HydrophobicContact CD2-CB 4.46Å; Y199-L267 HydrophobicContact CE1-CB 4.25Å; Y199-L267 HydrophobicContact CE2-CB 3.83Å; Y218-L267 HydrophobicContact CD1-CD1 4.33Å; Y218-L267 HydrophobicContact CE1-CD1 3.69Å; Q263-L267 WeakPolarHBondContact O-CG 3.33Å; Q263-L267 PolarHBondContact O-N 2.89Å; H264-L267 PolarHBondContact O-N 2.75Å; L267-A269 VanDerWaalsContact C-N 3.3Å; L267-A269 PolarHBondContact O-N 3.35Å; L267-K270 PolarHBondContact O-N 3.37Å; L267-Y279 HydrophobicContact CD2-CD2 4.24Å
268	L	97.9	Very high	92.5	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-43.6	174.5	175.5	61.3	0	0	0	111	I184 L186 Y199 I211 L216 H264 L265 L271 F272 L300 L322	I184-L268 HydrophobicContact CD1-CD1 3.71Å; L186-L268 HydrophobicContact CD2-CD2 4.08Å; Y199-L268 WeakPolarHBondContact OH-CA 3.38Å; Y199-L268 PolarHBondContact OH-N 2.66Å; I211-L268 HydrophobicContact CD1-CD1 3.94Å; L216-L268 HydrophobicContact CD2-CD2 4.26Å; H264-L268 WeakPolarHBondContact O-CB 3.27Å; H264-L268 PolarHBondContact O-N 2.89Å; L265-L268 PolarHBondContact O-N 3.27Å; L268-L271 HydrophobicContact CD1-CD1 4.23Å; L268-L271 WeakPolarHBondContact O-CB 3.11Å; L268-L271 PolarHBondContact O-N 2.68Å; L268-F272 HydrophobicContact CD1-CE2 4.07Å; L268-F272 WeakPolarHBondContact O-CD2 3.41Å; L268-L300 HydrophobicContact CD2-CD2 3.63Å; L268-L322 HydrophobicContact CD2-CD2 4.42Å; L268-L322 HydrophobicContact CG-CD2 4.37Å
269	A	96.7	Very high	91.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-40.1	-179.2	0	0	0	0	0	112.8	L265 C266 L267 L271 F272 L273 K276 Y303 L320	L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.35Å; L265-A269 PolarHBondContact O-N 2.78Å; C266-A269 PolarHBondContact O-N 3.37Å; L267-A269 VanDerWaalsContact C-N 3.3Å; L267-A269 PolarHBondContact O-N 3.35Å; A269-L271 PolarHBondContact O-N 3.12Å; A269-F272 CarbonylContact O-C 3.37Å; A269-F272 PolarHBondContact O-N 3.24Å; A269-L273 HydrophobicContact CB-CD1 4.15Å; A269-L273 PolarHBondContact O-N 3.49Å; A269-K276 HydrophobicContact CB-CD 4.31Å; A269-Y303 HydrophobicContact CB-CE1 3.51Å; A269-Y303 WeakPolarHBondContact CB-OH 2.98Å; A269-L320 HydrophobicContact CB-CD2 3.97Å
270	K	94.1	Very high	90.9	Very high	21 Å²	21	32.9 Å²	32.9	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-22.6	179.8	-178	68.8	-168.1	81.7	0	112.9	F196 C266 L267 F272 L273 D274 K276	F196-K270 WeakPolarHBondContact O-CG 3.46Å; F196-K270 PolarHBondContact O-NZ 3.14Å; C266-K270 WeakPolarHBondContact O-CB 3.42Å; C266-K270 PolarHBondContact O-N 2.82Å; L267-K270 PolarHBondContact O-N 3.37Å; K270-F272 PolarHBondContact O-N 3.49Å; K270-L273 PolarHBondContact NZ-O 2.83Å; K270-L273 VanDerWaalsContact O-O 3.07Å; K270-D274 WeakPolarHBondContact CE-O 3.45Å; K270-D274 PolarHBondContact NZ-O 3.08Å; K270-K276 HydrophobicContact CD-CB 3.75Å; K270-K276 HydrophobicContact CD-CG 4.46Å; K270-K276 WeakPolarHBondContact CD-O 3.47Å; K270-K276 WeakPolarHBondContact CE-O 3.46Å
271	L	95.4	Very high	90.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.3	171.1	-64.1	168.6	0	0	0	112.9	L181 I184 P193 W194 Y195 Y199 L268 A269	L181-L271 HydrophobicContact CD1-CD2 3.83Å; L181-L271 HydrophobicContact CG-CD2 4.32Å; I184-L271 HydrophobicContact CD1-CD1 3.92Å; I184-L271 HydrophobicContact CG2-CD1 3.83Å; P193-L271 HydrophobicContact CB-CB 4.14Å; P193-L271 HydrophobicContact CB-CD2 3.81Å; P193-L271 HydrophobicContact CB-CG 4.49Å; P193-L271 HydrophobicContact CG-CD2 3.97Å; W194-L271 PolarHBondContact N-O 3.13Å; Y195-L271 PolarHBondContact N-O 3.44Å; Y199-L271 HydrophobicContact CD2-CD2 4.39Å; Y199-L271 HydrophobicContact CE2-CD1 3.8Å; Y199-L271 HydrophobicContact CE2-CD2 4.06Å; Y199-L271 HydrophobicContact CE2-CG 3.95Å; L268-L271 HydrophobicContact CD1-CD1 4.23Å; L268-L271 WeakPolarHBondContact O-CB 3.11Å; L268-L271 PolarHBondContact O-N 2.68Å; A269-L271 PolarHBondContact O-N 3.12Å
272	F	94.4	Very high	90.3	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.013	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-1.2	-174.1	-51.2	-66	0	0	0	113.5	I184 I191 W194 Y195 L268 A269 K270 L320 L322 P323	I184-F272 HydrophobicContact CD1-CE2 4.08Å; I184-F272 HydrophobicContact CD1-CZ 3.83Å; I191-F272 HydrophobicContact CB-CZ 4.3Å; I191-F272 HydrophobicContact CG2-CE1 3.66Å; I191-F272 HydrophobicContact CG2-CZ 3.59Å; W194-F272 AromaticContact CD2-CD1 3.89Å; W194-F272 HydrophobicContact CD2-CD1 3.89Å; W194-F272 HydrophobicContact CE3-CB 4Å; W194-F272 HydrophobicContact CE3-CD1 4.18Å; W194-F272 HydrophobicContact CG-CD1 4.07Å; W194-F272 HydrophobicContact CZ3-CB 4.39Å; Y195-F272 VanDerWaalsContact CD2-C 3.48Å; Y195-F272 WeakPolarHBondContact CE2-O 3.21Å; L268-F272 HydrophobicContact CD1-CE2 4.07Å; L268-F272 WeakPolarHBondContact O-CD2 3.41Å; A269-F272 CarbonylContact O-C 3.37Å; A269-F272 PolarHBondContact O-N 3.24Å; K270-F272 PolarHBondContact O-N 3.49Å; F272-L320 HydrophobicContact CB-CD1 3.69Å; F272-L320 HydrophobicContact CB-CD2 4.11Å; F272-L320 HydrophobicContact CD2-CD2 4.1Å; F272-L322 HydrophobicContact CD2-CD2 4.05Å; F272-L322 HydrophobicContact CE2-CD2 3.94Å; F272-P323 HydrophobicContact CD1-CG 3.63Å; F272-P323 HydrophobicContact CE1-CG 3.61Å; F272-P323 HydrophobicContact CG-CG 4.21Å; F272-P323 HydrophobicContact CZ-CG 4.17Å
273	L	90.3	Very high	90.1	Very high	22 Å²	22	34.1 Å²	34.1	12%	0.115	17%	0.168	C	C	.	.			trans	-120.6	122.2	174	-62.3	177.7	0	0	0	109.9	A269 K270 K276 C318 L320	A269-L273 HydrophobicContact CB-CD1 4.15Å; A269-L273 PolarHBondContact O-N 3.49Å; K270-L273 PolarHBondContact NZ-O 2.83Å; K270-L273 VanDerWaalsContact O-O 3.07Å; L273-K276 HydrophobicContact CB-CB 4.32Å; L273-K276 HydrophobicContact CD1-CD 4.35Å; L273-C318 HydrophobicContact CD1-CB 4.24Å; L273-L320 HydrophobicContact CD1-CB 4.39Å; L273-L320 HydrophobicContact CD2-CD1 4.23Å; L273-L320 HydrophobicContact CG-CD1 4.43Å
274	D	82.5	Confident	90	Very high	14 Å²	14	34.4 Å²	34.4	8%	0.075	17%	0.173	C	C	.	.	S	Bend	trans	-69.9	-55.8	179.7	-163.1	15.7	0	0	0	110.3	K51 M165 Y195 K270 K276	K51-D274 IonicContact NZ-OD1 3.4Å; K51-D274 IonicContact NZ-OD2 2.59Å; K51-D274 PolarHBondContact NZ-OD2 3.21Å; M165-D274 HydrophobicContact CE-CB 3.48Å; M165-D274 VanDerWaalsContact CE-CB 3.48Å; Y195-D274 HydrophobicContact CD1-CB 3.97Å; Y195-D274 HydrophobicContact CD2-CB 4.31Å; Y195-D274 HydrophobicContact CE1-CB 3.97Å; Y195-D274 HydrophobicContact CE2-CB 4.29Å; Y195-D274 HydrophobicContact CG-CB 4.19Å; K270-D274 WeakPolarHBondContact CE-O 3.45Å; K270-D274 PolarHBondContact NZ-O 3.08Å; D274-K276 PolarHBondContact O-N 3.05Å; D274-K276 VanDerWaalsContact O-N 3.14Å
275	H	79.8	Confident	89.9	Confident	62 Å²	62	34.4 Å²	34.4	29%	0.287	17%	0.173	S	C	.	.	S	Bend	trans	-91.6	65	-174.5	-53.7	-61.2	0	0	0	112.4	M165 S167 H170	M165-H275 PolarHBondContact O-NE2 2.8Å; S167-H275 VanDerWaalsContact CB-CE1 3.46Å; S167-H275 WeakPolarHBondContact CB-CE1 3.43Å; S167-H275 PolarHBondContact OG-CE1 2.84Å; S167-H275 VanDerWaalsContact OG-CE1 3.24Å; S167-H275 PolarHBondContact OG-NE2 2.89Å; H170-H275 AromaticContact CD2-ND1 3.65Å
276	K	83	Confident	89.8	Confident	15 Å²	15	34.5 Å²	34.5	7%	0.065	17%	0.174	C	C	.	.			trans	-121.4	108.2	169.7	179.8	168.6	-177.1	50.4	0	110.4	C266 A269 K270 L273 D274 L278	C266-K276 VanDerWaalsContact SG-CE 3.5Å; A269-K276 HydrophobicContact CB-CD 4.31Å; K270-K276 HydrophobicContact CD-CB 3.75Å; K270-K276 HydrophobicContact CD-CG 4.46Å; K270-K276 WeakPolarHBondContact CD-O 3.47Å; K270-K276 WeakPolarHBondContact CE-O 3.46Å; L273-K276 HydrophobicContact CB-CB 4.32Å; L273-K276 HydrophobicContact CD1-CD 4.35Å; D274-K276 PolarHBondContact O-N 3.05Å; D274-K276 VanDerWaalsContact O-N 3.14Å; K276-L278 WeakPolarHBondContact CE-O 3.24Å; K276-L278 PolarHBondContact NZ-O 3Å
277	T	74.9	Confident	89.9	Confident	107 Å²	107	34.4 Å²	34.4	66%	0.656	17%	0.173	S	C	*	.			trans	-91.3	-35.7	-173.9	53.3	0	0	0	0	112.9	Y279	T277-Y279 WeakPolarHBondContact O-CD1 3.31Å; T277-Y279 VanDerWaalsContact O-CE1 3.29Å; T277-Y279 WeakPolarHBondContact O-CE1 2.97Å
278	L	79.2	Confident	90	Very high	79 Å²	79	34.2 Å²	34.2	41%	0.414	17%	0.172	S	C	.	.			trans	-101	117	-179.4	-62.7	176.3	0	0	0	111.6	K276 F285	K276-L278 WeakPolarHBondContact CE-O 3.24Å; K276-L278 PolarHBondContact NZ-O 3Å; L278-F285 HydrophobicContact CD1-CE2 3.91Å; L278-F285 HydrophobicContact CD1-CZ 3.99Å
279	Y	77.5	Confident	90	Very high	64 Å²	64	34.1 Å²	34.1	25%	0.251	17%	0.172	S	C	.	.	S	Bend	trans	-134.3	-18.7	177.7	46.1	-90	0	0	0	114.8	P198 L267 T277	P198-Y279 HydrophobicContact CB-CE2 3.93Å; P198-Y279 HydrophobicContact CG-CD1 4.21Å; P198-Y279 HydrophobicContact CG-CD2 3.53Å; P198-Y279 HydrophobicContact CG-CE1 3.92Å; P198-Y279 HydrophobicContact CG-CE2 3.13Å; P198-Y279 HydrophobicContact CG-CG 4.05Å; L267-Y279 HydrophobicContact CD2-CD2 4.24Å; T277-Y279 WeakPolarHBondContact O-CD1 3.31Å; T277-Y279 VanDerWaalsContact O-CE1 3.29Å; T277-Y279 WeakPolarHBondContact O-CE1 2.97Å
280	Y	82.4	Confident	90.1	Very high	120 Å²	120	34.1 Å²	34.1	47%	0.471	17%	0.171	S	C	.	.	S	Bend	trans	-101.8	-34.9	173.5	-62.6	-49.8	0	0	0	113.9	P198 Q263 T282	P198-Y280 PolarHBondContact O-OH 2.89Å; P198-Y280 VanDerWaalsContact O-OH 3.11Å; Q263-Y280 PolarHBondContact NE2-O 3.45Å; Y280-T282 PolarHBondContact O-N 3.2Å
281	D	90.5	Very high	90.3	Very high	78 Å²	78	33.1 Å²	33.1	42%	0.417	17%	0.167	S	C	.	.			trans	-85.3	94.9	173.2	-169.8	13.1	0	0	0	109.9
282	T	92.7	Very high	90.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.176	C	C	.	.			trans	-103.8	-8.6	-177.9	56.1	0	0	0	0	112.7	G255 A262 Q263 Y280 P284 F285 F287	G255-T282 CarbonylContact C-O 3.43Å; G255-T282 WeakPolarHBondContact CA-O 3.27Å; G255-T282 PolarHBondContact O-OG1 2.79Å; A262-T282 HydrophobicContact CB-CG2 3.73Å; Q263-T282 HydrophobicContact CG-CG2 3.92Å; Y280-T282 PolarHBondContact O-N 3.2Å; T282-P284 VanDerWaalsContact C-CD 3.43Å; T282-F285 PolarHBondContact O-N 3.38Å; T282-F285 VanDerWaalsContact O-N 3.12Å; T282-F287 HydrophobicContact CG2-CZ 4.2Å
283	D	93.8	Very high	90.6	Very high	51 Å²	51	36.4 Å²	36.4	27%	0.273	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-38	-173.3	-70.6	35.5	0	0	0	113.5	R256 K259 F285 K308	R256-D283 HydrophobicContact CB-CB 4.26Å; K259-D283 IonicContact NZ-OD1 3.86Å; K259-D283 PolarHBondContact NZ-OD1 3.13Å; K259-D283 IonicContact NZ-OD2 3.32Å; D283-F285 PolarHBondContact O-N 3.4Å; D283-K308 WeakPolarHBondContact O-CE 3.48Å; D283-K308 PolarHBondContact O-NZ 2.91Å
284	P	93.7	Very high	90.9	Very high	53 Å²	53	38.4 Å²	38.4	34%	0.344	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.7	178.8	-19.5	33.7	0	0	0	114.8	T282 K308	T282-P284 VanDerWaalsContact C-CD 3.43Å; P284-K308 WeakPolarHBondContact O-CB 3.42Å; P284-K308 VanDerWaalsContact O-CG 3.29Å; P284-K308 WeakPolarHBondContact O-CG 3.35Å; P284-K308 PolarHBondContact O-N 3.15Å
285	F	96.1	Very high	91.6	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.096	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.8	-167.2	-62.4	-85.8	0	0	0	113.4	G255 L278 T282 D283 F287 K306 E307 A317	G255-F285 PolarHBondContact N-O 2.93Å; L278-F285 HydrophobicContact CD1-CE2 3.91Å; L278-F285 HydrophobicContact CD1-CZ 3.99Å; T282-F285 PolarHBondContact O-N 3.38Å; T282-F285 VanDerWaalsContact O-N 3.12Å; D283-F285 PolarHBondContact O-N 3.4Å; F285-F287 HydrophobicContact CB-CD2 4.43Å; F285-F287 HydrophobicContact CB-CE2 3.7Å; F285-F287 HydrophobicContact CB-CZ 3.82Å; F285-K306 WeakPolarHBondContact CA-O 3.36Å; F285-E307 HydrophobicContact CD1-CG 3.84Å; F285-E307 HydrophobicContact CE1-CG 3.37Å; F285-E307 HydrophobicContact CZ-CG 4.11Å; F285-A317 HydrophobicContact CD1-CB 4.45Å; F285-A317 HydrophobicContact CE1-CB 3.99Å
286	L	97.4	Very high	92.2	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	147.5	155.2	-61.7	176.2	0	0	0	108.8	I253 D254 Y288 S305 K306 K308 W457	I253-L286 CarbonylContact O-C 3.59Å; I253-L286 WeakPolarHBondContact O-CA 3.44Å; D254-L286 HydrophobicContact CB-CD2 4.25Å; L286-Y288 HydrophobicContact CB-CE2 4Å; L286-S305 CarbonylContact O-C 3.57Å; L286-S305 VanDerWaalsContact O-CA 3.22Å; L286-S305 WeakPolarHBondContact O-CA 3.38Å; L286-K306 PolarHBondContact N-O 3.14Å; L286-K306 PolarHBondContact O-N 3.38Å; L286-K308 HydrophobicContact CD2-CG 4.3Å; L286-K308 HydrophobicContact CG-CG 3.92Å; L286-W457 HydrophobicContact CD1-CZ2 3.74Å; L286-W457 HydrophobicContact CD2-CH2 3.89Å; L286-W457 HydrophobicContact CD2-CZ2 3.74Å; L286-W457 HydrophobicContact CG-CZ2 4.11Å
287	F	98.5	Very high	92.9	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.8	174.7	-56.3	-100.9	0	0	0	108.9	E252 I253 A262 L265 T282 F285 Y303	E252-F287 WeakPolarHBondContact CA-O 3.44Å; I253-F287 HydrophobicContact CB-CB 4.17Å; I253-F287 PolarHBondContact N-O 3.44Å; I253-F287 PolarHBondContact O-N 3.24Å; A262-F287 HydrophobicContact CB-CD2 4.1Å; A262-F287 HydrophobicContact CB-CE2 3.63Å; A262-F287 HydrophobicContact CB-CZ 4.03Å; L265-F287 HydrophobicContact CD2-CB 4.16Å; L265-F287 HydrophobicContact CD2-CD1 3.84Å; L265-F287 HydrophobicContact CD2-CG 4.24Å; T282-F287 HydrophobicContact CG2-CZ 4.2Å; F285-F287 HydrophobicContact CB-CD2 4.43Å; F285-F287 HydrophobicContact CB-CE2 3.7Å; F285-F287 HydrophobicContact CB-CZ 3.82Å; F287-Y303 AromaticContact CD1-CD2 4Å; F287-Y303 HydrophobicContact CD1-CD2 4Å; F287-Y303 AromaticContact CD1-CE2 3.77Å; F287-Y303 HydrophobicContact CD1-CE2 3.77Å; F287-Y303 HydrophobicContact CE1-CE2 4.26Å
288	Y	98.7	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	104.6	175.8	-66	-86.6	0	0	0	108.3	V242 F251 E252 L286 Y303 F304 K306 F337 L341	V242-Y288 HydrophobicContact CG2-CD1 4.49Å; F251-Y288 CarbonylContact O-C 3.6Å; F251-Y288 VanDerWaalsContact O-CA 3.31Å; F251-Y288 WeakPolarHBondContact O-CA 3.39Å; E252-Y288 HydrophobicContact CB-CD1 4.16Å; E252-Y288 HydrophobicContact CB-CE1 3.83Å; E252-Y288 HydrophobicContact CG-CD1 4.45Å; E252-Y288 HydrophobicContact CG-CE1 3.79Å; E252-Y288 PolarHBondContact OE2-OH 2.92Å; L286-Y288 HydrophobicContact CB-CE2 4Å; Y288-Y303 CarbonylContact O-C 3.57Å; Y288-Y303 WeakPolarHBondContact O-CA 2.93Å; Y288-Y303 WeakPolarHBondContact O-CB 3.28Å; Y288-F304 VanDerWaalsContact CB-CE1 3.47Å; Y288-F304 VanDerWaalsContact CB-CZ 3.45Å; Y288-F304 HydrophobicContact CD1-CZ 4.36Å; Y288-F304 AromaticContact CD2-CD2 3.93Å; Y288-F304 HydrophobicContact CD2-CD2 3.93Å; Y288-F304 HydrophobicContact CD2-CE1 4.34Å; Y288-F304 AromaticContact CD2-CE2 3.22Å; Y288-F304 HydrophobicContact CD2-CE2 3.22Å; Y288-F304 AromaticContact CD2-CZ 3.46Å; Y288-F304 HydrophobicContact CD2-CZ 3.46Å; Y288-F304 VanDerWaalsContact CD2-CZ 3.46Å; Y288-F304 AromaticContact CE2-CE2 3.95Å; Y288-F304 HydrophobicContact CE2-CE2 3.95Å; Y288-F304 HydrophobicContact CE2-CZ 4.3Å; Y288-F304 HydrophobicContact CG-CE1 4.05Å; Y288-F304 AromaticContact CG-CE2 3.78Å; Y288-F304 HydrophobicContact CG-CE2 3.78Å; Y288-F304 AromaticContact CG-CZ 3.49Å; Y288-F304 HydrophobicContact CG-CZ 3.49Å; Y288-F304 VanDerWaalsContact CG-CZ 3.49Å; Y288-F304 PolarHBondContact N-O 3.35Å; Y288-F304 PolarHBondContact O-N 3.45Å; Y288-K306 HydrophobicContact CE2-CB 4.13Å; Y288-K306 HydrophobicContact CE2-CD 4.46Å; Y288-F337 AromaticContact CD1-CE1 3.93Å; Y288-F337 HydrophobicContact CD1-CE1 3.93Å; Y288-L341 HydrophobicContact CD1-CD1 3.98Å; Y288-L341 HydrophobicContact CD2-CD1 4.16Å; Y288-L341 HydrophobicContact CE1-CD1 3.59Å; Y288-L341 HydrophobicContact CE1-CD2 4.37Å; Y288-L341 HydrophobicContact CE2-CD1 3.77Å; Y288-L341 HydrophobicContact CG-CD1 4.25Å; Y288-L341 VanDerWaalsContact CZ-CD1 3.48Å
289	V	98.8	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.6	-172.6	175.8	0	0	0	0	110.1	P237 F250 F251 I253 Y261 L265 L300	P237-V289 HydrophobicContact CB-CB 4.28Å; P237-V289 HydrophobicContact CB-CG1 4.16Å; P237-V289 HydrophobicContact CG-CB 4.13Å; P237-V289 HydrophobicContact CG-CG1 3.56Å; F250-V289 CarbonylContact C-O 3.56Å; F250-V289 VanDerWaalsContact CA-O 3.29Å; F250-V289 WeakPolarHBondContact CA-O 3.45Å; F251-V289 PolarHBondContact N-O 3.21Å; F251-V289 PolarHBondContact O-N 3.32Å; I253-V289 HydrophobicContact CD1-CB 4.35Å; I253-V289 HydrophobicContact CD1-CG2 3.58Å; I253-V289 HydrophobicContact CG1-CG2 4.24Å; Y261-V289 HydrophobicContact CE1-CG2 4.49Å; L265-V289 HydrophobicContact CD2-CG2 3.82Å; V289-L300 HydrophobicContact CG1-CD1 3.43Å; V289-L300 VanDerWaalsContact CG1-CD1 3.43Å
290	L	98.8	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.6	173	172.7	64.2	0	0	0	110.1	H248 S249 F250 V301 G302 Y330 Y333 L334	H248-L290 HydrophobicContact CB-CD1 4.12Å; S249-L290 WeakPolarHBondContact O-CA 3.44Å; F250-L290 HydrophobicContact CD1-CB 4.22Å; F250-L290 HydrophobicContact CD2-CD1 4Å; F250-L290 HydrophobicContact CE1-CB 3.89Å; F250-L290 HydrophobicContact CE1-CD1 4.47Å; F250-L290 HydrophobicContact CE2-CD1 3.62Å; F250-L290 HydrophobicContact CZ-CB 4.06Å; F250-L290 HydrophobicContact CZ-CD1 3.89Å; F250-L290 HydrophobicContact CZ-CD2 4.42Å; F250-L290 HydrophobicContact CZ-CG 4.33Å; L290-V301 HydrophobicContact CD2-CB 4.24Å; L290-V301 HydrophobicContact CD2-CG1 3.87Å; L290-V301 HydrophobicContact CG-CB 4.08Å; L290-V301 HydrophobicContact CG-CG1 4.27Å; L290-V301 PolarHBondContact O-N 2.77Å; L290-G302 PolarHBondContact N-O 3Å; L290-G302 PolarHBondContact O-N 3.25Å; L290-Y330 HydrophobicContact CD2-CD1 3.6Å; L290-Y330 HydrophobicContact CD2-CE1 4.22Å; L290-Y330 HydrophobicContact CD2-CG 4.15Å; L290-Y333 HydrophobicContact CD1-CD1 4.14Å; L290-Y333 HydrophobicContact CD1-CE1 3.91Å; L290-Y333 HydrophobicContact CD2-CD1 3.98Å; L290-L334 HydrophobicContact CB-CD2 3.68Å; L290-L334 HydrophobicContact CD2-CD2 3.98Å; L290-L334 HydrophobicContact CD2-CG 4.34Å; L290-L334 HydrophobicContact CG-CD2 4.48Å
291	C	98.7	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.3	174.6	-66	0	0	0	0	112.8	P237 H248 S249 Y298 H299	P237-C291 VanDerWaalsContact CG-SG 3.52Å; H248-C291 WeakPolarHBondContact CA-O 3.4Å; S249-C291 PolarHBondContact N-O 3.44Å; S249-C291 PolarHBondContact O-N 3.23Å; C291-Y298 HydrophobicContact CB-CD1 4.31Å; C291-H299 CarbonylContact C-O 3.51Å; C291-H299 WeakPolarHBondContact CA-O 3.41Å; C291-H299 WeakPolarHBondContact CB-O 3.49Å
292	E	98.1	Very high	97.1	Very high	43 Å²	43	27.5 Å²	27.5	20%	0.201	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	137.4	155.9	-84.7	171.8	-165.2	0	0	108.7	P247 H299 V301 Y330	P247-E292 CarbonylContact O-C 3.57Å; P247-E292 WeakPolarHBondContact O-CA 3.26Å; E292-H299 PolarHBondContact N-O 3.12Å; E292-H299 PolarHBondContact O-CD2 3.21Å; E292-H299 PolarHBondContact O-N 2.91Å; E292-V301 HydrophobicContact CB-CG2 4.02Å; E292-V301 HydrophobicContact CG-CG2 3.74Å; E292-Y330 PolarHBondContact OE1-OH 3.38Å
293	V	97.8	Very high	97.4	Very high	30 Å²	30	27.6 Å²	27.6	18%	0.182	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.4	-175.6	-168.6	0	0	0	0	110.3	L246 P247 G297 Y298	L246-V293 HydrophobicContact CD2-CB 4.32Å; P247-V293 PolarHBondContact O-N 3.14Å; V293-G297 WeakPolarHBondContact CA-O 3.36Å; V293-Y298 HydrophobicContact CB-CD1 4.37Å; V293-Y298 HydrophobicContact CB-CE1 4.37Å; V293-Y298 HydrophobicContact CG1-CD1 4.18Å; V293-Y298 HydrophobicContact CG1-CD2 4.46Å; V293-Y298 HydrophobicContact CG1-CE1 3.93Å; V293-Y298 HydrophobicContact CG1-CE2 4.2Å; V293-Y298 HydrophobicContact CG1-CG 4.44Å; V293-Y298 HydrophobicContact CG2-CD1 3.4Å; V293-Y298 VanDerWaalsContact CG2-CD1 3.4Å; V293-Y298 HydrophobicContact CG2-CE1 3.46Å; V293-Y298 VanDerWaalsContact CG2-CE1 3.46Å; V293-Y298 HydrophobicContact CG2-CG 4.22Å
294	D	96.1	Very high	97.6	Very high	64 Å²	64	25.2 Å²	25.2	34%	0.342	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	-170.2	170.7	75.3	29.4	0	0	0	111.5	R296 G297 H299	D294-R296 PolarHBondContact O-N 2.77Å; D294-R296 WeakPolarHBondContact OD1-CA 3.34Å; D294-R296 WeakPolarHBondContact OD1-CB 3.43Å; D294-R296 PolarHBondContact OD1-N 2.82Å; D294-G297 PolarHBondContact N-O 3.18Å; D294-G297 PolarHBondContact O-N 3.15Å; D294-H299 VanDerWaalsContact CG-NE2 3.25Å; D294-H299 IonicContact OD1-CD2 3.62Å; D294-H299 IonicContact OD1-CE1 2.75Å; D294-H299 IonicContact OD1-NE2 3.58Å; D294-H299 PolarHBondContact OD1-NE2 3.45Å; D294-H299 IonicContact OD2-CD2 2.97Å; D294-H299 IonicContact OD2-NE2 3.75Å; D294-H299 PolarHBondContact OD2-NE2 2.94Å
295	S	95.9	Very high	97.7	Very high	129 Å²	129	22.7 Å²	22.7	90%	0.902	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-19	-178.9	58.7	0	0	0	0	114.7
296	R	94.2	Very high	97.7	Very high	117 Å²	117	22.5 Å²	22.5	44%	0.442	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-26.3	177.3	-59.8	166	59.5	-128	-6.3	111.6	E213 D294 H299	E213-R296 IonicContact OE2-CZ 3.42Å; E213-R296 IonicContact OE2-NH1 3.79Å; E213-R296 IonicContact OE2-NH2 3.98Å; E213-R296 PolarHBondContact OE2-NH2 3.17Å; D294-R296 PolarHBondContact O-N 2.77Å; D294-R296 WeakPolarHBondContact OD1-CA 3.34Å; D294-R296 WeakPolarHBondContact OD1-CB 3.43Å; D294-R296 PolarHBondContact OD1-N 2.82Å; R296-H299 PolarHBondContact NH1-CE1 3.23Å
297	G	96.9	Very high	97.6	Very high	9 Å²	9	25 Å²	25	9%	0.093	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-143.6	176.7	0	0	0	0	0	112.9	V293 D294 H299	V293-G297 WeakPolarHBondContact CA-O 3.36Å; D294-G297 PolarHBondContact N-O 3.18Å; D294-G297 PolarHBondContact O-N 3.15Å; G297-H299 PolarHBondContact O-CD2 3.25Å; G297-H299 PolarHBondContact O-NE2 3.42Å
298	Y	98.4	Very high	97.3	Very high	40 Å²	40	26.5 Å²	26.5	16%	0.157	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.2	-174.1	-62.9	-110.7	0	0	0	109	R235 N236 R244 F251 C291 V293	R235-Y298 WeakPolarHBondContact O-CD2 3.48Å; R235-Y298 PolarHBondContact O-N 2.99Å; N236-Y298 HydrophobicContact CB-CD1 4.48Å; N236-Y298 HydrophobicContact CB-CD2 3.55Å; N236-Y298 HydrophobicContact CB-CE2 4.2Å; N236-Y298 HydrophobicContact CB-CG 3.72Å; R244-Y298 PolarHBondContact NH2-OH 3.28Å; F251-Y298 AromaticContact CE2-CD1 3.41Å; F251-Y298 HydrophobicContact CE2-CD1 3.41Å; F251-Y298 VanDerWaalsContact CE2-CD1 3.41Å; F251-Y298 AromaticContact CE2-CE1 3.82Å; F251-Y298 HydrophobicContact CE2-CE1 3.82Å; F251-Y298 HydrophobicContact CE2-CG 4.1Å; F251-Y298 AromaticContact CZ-CD1 3.6Å; F251-Y298 HydrophobicContact CZ-CD1 3.6Å; F251-Y298 AromaticContact CZ-CE1 3.66Å; F251-Y298 HydrophobicContact CZ-CE1 3.66Å; F251-Y298 HydrophobicContact CZ-CG 4.14Å; C291-Y298 HydrophobicContact CB-CD1 4.31Å; V293-Y298 HydrophobicContact CB-CD1 4.37Å; V293-Y298 HydrophobicContact CB-CE1 4.37Å; V293-Y298 HydrophobicContact CG1-CD1 4.18Å; V293-Y298 HydrophobicContact CG1-CD2 4.46Å; V293-Y298 HydrophobicContact CG1-CE1 3.93Å; V293-Y298 HydrophobicContact CG1-CE2 4.2Å; V293-Y298 HydrophobicContact CG1-CG 4.44Å; V293-Y298 HydrophobicContact CG2-CD1 3.4Å; V293-Y298 VanDerWaalsContact CG2-CD1 3.4Å; V293-Y298 HydrophobicContact CG2-CE1 3.46Å; V293-Y298 VanDerWaalsContact CG2-CE1 3.46Å; V293-Y298 HydrophobicContact CG2-CG 4.22Å
299	H	98.2	Very high	97	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.2	-170.9	-59.4	-77.9	0	0	0	109.7	E213 C291 E292 D294 R296 G297 V301	E213-H299 IonicContact OE1-CE1 3.62Å; E213-H299 IonicContact OE1-CG 3.98Å; E213-H299 IonicContact OE1-ND1 2.96Å; E213-H299 PolarHBondContact OE1-ND1 2.89Å; E213-H299 IonicContact OE2-CE1 3.72Å; E213-H299 IonicContact OE2-ND1 3.58Å; C291-H299 CarbonylContact C-O 3.51Å; C291-H299 WeakPolarHBondContact CA-O 3.41Å; C291-H299 WeakPolarHBondContact CB-O 3.49Å; E292-H299 PolarHBondContact N-O 3.12Å; E292-H299 PolarHBondContact O-CD2 3.21Å; E292-H299 PolarHBondContact O-N 2.91Å; D294-H299 VanDerWaalsContact CG-NE2 3.25Å; D294-H299 IonicContact OD1-CD2 3.62Å; D294-H299 IonicContact OD1-CE1 2.75Å; D294-H299 IonicContact OD1-NE2 3.58Å; D294-H299 PolarHBondContact OD1-NE2 3.45Å; D294-H299 IonicContact OD2-CD2 2.97Å; D294-H299 IonicContact OD2-NE2 3.75Å; D294-H299 PolarHBondContact OD2-NE2 2.94Å; R296-H299 PolarHBondContact NH1-CE1 3.23Å; G297-H299 PolarHBondContact O-CD2 3.25Å; G297-H299 PolarHBondContact O-NE2 3.42Å; H299-V301 PolarHBondContact O-N 3.42Å
300	L	98.6	Very high	96.5	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.052	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	123.3	179.1	175.9	64.9	0	0	0	111.3	L216 L265 L268 V289 L322 F325	L216-L300 HydrophobicContact CD1-CD2 4.26Å; L216-L300 HydrophobicContact CD2-CD2 3.91Å; L265-L300 HydrophobicContact CD1-CD2 4.11Å; L268-L300 HydrophobicContact CD2-CD2 3.63Å; V289-L300 HydrophobicContact CG1-CD1 3.43Å; V289-L300 VanDerWaalsContact CG1-CD1 3.43Å; L300-L322 HydrophobicContact CB-CD1 4.49Å; L300-L322 HydrophobicContact CD2-CD1 3.91Å; L300-L322 HydrophobicContact CG-CD1 3.81Å; L300-F325 WeakPolarHBondContact O-CE2 2.99Å
301	V	98.4	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-43.7	175.3	169.6	0	0	0	0	110.5	L290 E292 H299 L322 F325 Y330	L290-V301 HydrophobicContact CD2-CB 4.24Å; L290-V301 HydrophobicContact CD2-CG1 3.87Å; L290-V301 HydrophobicContact CG-CB 4.08Å; L290-V301 HydrophobicContact CG-CG1 4.27Å; L290-V301 PolarHBondContact O-N 2.77Å; E292-V301 HydrophobicContact CB-CG2 4.02Å; E292-V301 HydrophobicContact CG-CG2 3.74Å; H299-V301 PolarHBondContact O-N 3.42Å; V301-L322 WeakPolarHBondContact O-CB 3.43Å; V301-L322 PolarHBondContact O-N 3.2Å; V301-F325 HydrophobicContact CB-CG 4.38Å; V301-F325 HydrophobicContact CG1-CB 3.81Å; V301-F325 HydrophobicContact CG1-CD1 4.25Å; V301-F325 HydrophobicContact CG1-CD2 4.5Å; V301-F325 HydrophobicContact CG1-CG 3.97Å; V301-F325 HydrophobicContact CG2-CD1 4.01Å; V301-F325 HydrophobicContact CG2-CE1 4.01Å; V301-F325 HydrophobicContact CG2-CG 4.36Å; V301-F325 HydrophobicContact CG2-CZ 4.34Å; V301-Y330 HydrophobicContact CG1-CD1 4.03Å; V301-Y330 HydrophobicContact CG1-CD2 3.37Å; V301-Y330 HydrophobicContact CG1-CE1 4.28Å; V301-Y330 HydrophobicContact CG1-CE2 3.63Å; V301-Y330 HydrophobicContact CG1-CG 3.59Å
302	G	98.5	Very high	95.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	176.3	-175.8	0	0	0	0	0	110.6	L290 L320	L290-G302 PolarHBondContact N-O 3Å; L290-G302 PolarHBondContact O-N 3.25Å; G302-L320 CarbonylContact C-O 3.52Å; G302-L320 WeakPolarHBondContact CA-O 3.4Å
303	Y	98.7	Very high	95.3	Very high	3 Å²	3	44 Å²	44	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	167.1	176.6	83	-75.4	0	0	0	110.4	L265 A269 F287 Y288 I319 L320	L265-Y303 HydrophobicContact CD1-CD1 3.73Å; L265-Y303 HydrophobicContact CD1-CE1 3.98Å; L265-Y303 HydrophobicContact CD1-CG 4.09Å; L265-Y303 HydrophobicContact CD2-CD1 4.3Å; L265-Y303 HydrophobicContact CD2-CD2 3.74Å; L265-Y303 HydrophobicContact CD2-CE2 4.1Å; L265-Y303 HydrophobicContact CD2-CG 3.86Å; L265-Y303 HydrophobicContact CG-CD1 4.12Å; L265-Y303 HydrophobicContact CG-CD2 4.25Å; L265-Y303 HydrophobicContact CG-CE1 4.11Å; L265-Y303 HydrophobicContact CG-CE2 4.25Å; L265-Y303 HydrophobicContact CG-CG 4.19Å; A269-Y303 HydrophobicContact CB-CE1 3.51Å; A269-Y303 WeakPolarHBondContact CB-OH 2.98Å; F287-Y303 AromaticContact CD1-CD2 4Å; F287-Y303 HydrophobicContact CD1-CD2 4Å; F287-Y303 AromaticContact CD1-CE2 3.77Å; F287-Y303 HydrophobicContact CD1-CE2 3.77Å; F287-Y303 HydrophobicContact CE1-CE2 4.26Å; Y288-Y303 CarbonylContact O-C 3.57Å; Y288-Y303 WeakPolarHBondContact O-CA 2.93Å; Y288-Y303 WeakPolarHBondContact O-CB 3.28Å; Y303-I319 WeakPolarHBondContact O-CA 3.36Å; Y303-L320 HydrophobicContact CD1-CB 4.23Å; Y303-L320 HydrophobicContact CE1-CB 3.96Å; Y303-L320 HydrophobicContact CE1-CD2 4.29Å; Y303-L320 PolarHBondContact N-O 2.53Å; Y303-L320 PolarHBondContact O-N 3.09Å
304	F	98.4	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.8	156.8	68.1	-90.6	0	0	0	110.8	F250 Y288 V316 C318 I319 L334 F337 L341	F250-F304 HydrophobicContact CE1-CE1 4.42Å; Y288-F304 VanDerWaalsContact CB-CE1 3.47Å; Y288-F304 VanDerWaalsContact CB-CZ 3.45Å; Y288-F304 HydrophobicContact CD1-CZ 4.36Å; Y288-F304 AromaticContact CD2-CD2 3.93Å; Y288-F304 HydrophobicContact CD2-CD2 3.93Å; Y288-F304 HydrophobicContact CD2-CE1 4.34Å; Y288-F304 AromaticContact CD2-CE2 3.22Å; Y288-F304 HydrophobicContact CD2-CE2 3.22Å; Y288-F304 AromaticContact CD2-CZ 3.46Å; Y288-F304 HydrophobicContact CD2-CZ 3.46Å; Y288-F304 VanDerWaalsContact CD2-CZ 3.46Å; Y288-F304 AromaticContact CE2-CE2 3.95Å; Y288-F304 HydrophobicContact CE2-CE2 3.95Å; Y288-F304 HydrophobicContact CE2-CZ 4.3Å; Y288-F304 HydrophobicContact CG-CE1 4.05Å; Y288-F304 AromaticContact CG-CE2 3.78Å; Y288-F304 HydrophobicContact CG-CE2 3.78Å; Y288-F304 AromaticContact CG-CZ 3.49Å; Y288-F304 HydrophobicContact CG-CZ 3.49Å; Y288-F304 VanDerWaalsContact CG-CZ 3.49Å; Y288-F304 PolarHBondContact N-O 3.35Å; Y288-F304 PolarHBondContact O-N 3.45Å; F304-V316 HydrophobicContact CB-CG1 4.17Å; F304-V316 HydrophobicContact CB-CG2 4.43Å; F304-V316 HydrophobicContact CD2-CG2 3.87Å; F304-V316 HydrophobicContact CE2-CG2 4.38Å; F304-V316 HydrophobicContact CG-CG2 4.23Å; F304-C318 CarbonylContact C-O 3.47Å; F304-C318 WeakPolarHBondContact CA-O 3.32Å; F304-C318 WeakPolarHBondContact CB-O 3.34Å; F304-I319 HydrophobicContact CB-CB 4.06Å; F304-I319 HydrophobicContact CB-CG1 4.14Å; F304-L334 HydrophobicContact CD1-CB 4.39Å; F304-L334 HydrophobicContact CD1-CD2 4.28Å; F304-F337 HydrophobicContact CE1-CB 4.5Å; F304-F337 AromaticContact CE1-CD1 3.84Å; F304-F337 HydrophobicContact CE1-CD1 3.84Å; F304-F337 AromaticContact CZ-CD1 3.94Å; F304-F337 HydrophobicContact CZ-CD1 3.94Å; F304-L341 HydrophobicContact CE2-CD1 4.3Å; F304-L341 HydrophobicContact CZ-CD1 3.86Å
305	S	97.4	Very high	95.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.2	170.1	57.2	0	0	0	0	110.7	L286 A317 C318	L286-S305 CarbonylContact O-C 3.57Å; L286-S305 VanDerWaalsContact O-CA 3.22Å; L286-S305 WeakPolarHBondContact O-CA 3.38Å; S305-A317 PolarHBondContact O-N 2.7Å; S305-C318 PolarHBondContact N-O 3.47Å; S305-C318 WeakPolarHBondContact OG-CB 3.42Å; S305-C318 PolarHBondContact OG-N 2.63Å
306	K	95.7	Very high	95.3	Very high	18 Å²	18	36.2 Å²	36.2	8%	0.078	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.8	175.8	-177.6	176.8	-170.3	-96.5	0	108.6	F285 L286 Y288 E345	F285-K306 WeakPolarHBondContact CA-O 3.36Å; L286-K306 PolarHBondContact N-O 3.14Å; L286-K306 PolarHBondContact O-N 3.38Å; Y288-K306 HydrophobicContact CE2-CB 4.13Å; Y288-K306 HydrophobicContact CE2-CD 4.46Å; K306-E345 WeakPolarHBondContact CE-OE2 3.5Å; K306-E345 IonicContact NZ-OE1 3.15Å; K306-E345 PolarHBondContact NZ-OE1 2.92Å; K306-E345 IonicContact NZ-OE2 3.54Å; K306-E345 PolarHBondContact NZ-OE2 3.25Å
307	E	94.3	Very high	95.3	Very high	55 Å²	55	31.4 Å²	31.4	26%	0.257	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139	170.6	-71.1	178.3	-112.4	0	0	110.2	F285 E309	F285-E307 HydrophobicContact CD1-CG 3.84Å; F285-E307 HydrophobicContact CE1-CG 3.37Å; F285-E307 HydrophobicContact CZ-CG 4.11Å; E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 2.91Å
308	K	93.4	Very high	95.2	Very high	33 Å²	33	32 Å²	32	14%	0.143	17%	0.169	C	C	.	.	S	Bend	trans	-63.5	-39.1	175.6	-72.6	169.2	178.6	173.8	0	111.4	D254 D283 P284 L286 W457	D254-K308 WeakPolarHBondContact OD1-CE 3.37Å; D254-K308 IonicContact OD1-NZ 3.89Å; D254-K308 PolarHBondContact OD1-NZ 2.8Å; D254-K308 IonicContact OD2-NZ 2.83Å; D254-K308 PolarHBondContact OD2-NZ 2.68Å; D283-K308 WeakPolarHBondContact O-CE 3.48Å; D283-K308 PolarHBondContact O-NZ 2.91Å; P284-K308 WeakPolarHBondContact O-CB 3.42Å; P284-K308 VanDerWaalsContact O-CG 3.29Å; P284-K308 WeakPolarHBondContact O-CG 3.35Å; P284-K308 PolarHBondContact O-N 3.15Å; L286-K308 HydrophobicContact CD2-CG 4.3Å; L286-K308 HydrophobicContact CG-CG 3.92Å; K308-W457 HydrophobicContact CB-CB 4.29Å; K308-W457 HydrophobicContact CB-CD2 3.83Å; K308-W457 HydrophobicContact CB-CE3 4.36Å; K308-W457 HydrophobicContact CB-CG 3.76Å; K308-W457 HydrophobicContact CD-CD2 4.02Å; K308-W457 HydrophobicContact CD-CE3 3.74Å; K308-W457 HydrophobicContact CD-CH2 4.17Å; K308-W457 HydrophobicContact CD-CZ2 4.44Å; K308-W457 HydrophobicContact CD-CZ3 3.81Å; K308-W457 HydrophobicContact CG-CD2 3.83Å; K308-W457 HydrophobicContact CG-CE3 4.09Å; K308-W457 HydrophobicContact CG-CG 4.3Å; K308-W457 HydrophobicContact CG-CH2 4.34Å; K308-W457 HydrophobicContact CG-CZ2 4.11Å; K308-W457 HydrophobicContact CG-CZ3 4.33Å
309	E	90.7	Very high	95.2	Very high	99 Å²	99	31.6 Å²	31.6	46%	0.463	17%	0.169	S	C	.	.	S	Bend	trans	-130	112.9	175.9	-66.3	176.3	-174.9	0	0	107.2	E307 W457 S458	E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 2.91Å; E309-W457 HydrophobicContact CG-CB 3.9Å; E309-S458 WeakPolarHBondContact OE1-CA 3.37Å; E309-S458 PolarHBondContact OE1-N 3.41Å
310	S	89.4	Confident	95.1	Very high	25 Å²	25	31.9 Å²	31.9	18%	0.175	17%	0.171	C	C	.	.			trans	-116.8	123.1	176.8	-176.4	0	0	0	0	108.6	E312 D313 Y314	S310-E312 PolarHBondContact O-N 2.98Å; S310-D313 PolarHBondContact O-N 2.92Å; S310-D313 PolarHBondContact OG-N 3.09Å; S310-Y314 PolarHBondContact OG-N 3.49Å; S310-Y314 VanDerWaalsContact OG-N 3.11Å
311	S	87.5	Confident	95.1	Very high	116 Å²	116	32.2 Å²	32.2	81%	0.811	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.5	174.8	55.2	0	0	0	0	112.2
312	E	90.4	Very high	95.1	Very high	102 Å²	102	32.4 Å²	32.4	48%	0.477	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.5	-179.6	-62.5	-58.1	140.5	0	0	112.3	S310 Y314 K401	S310-E312 PolarHBondContact O-N 2.98Å; E312-Y314 HydrophobicContact CB-CD1 4.48Å; E312-Y314 HydrophobicContact CB-CD2 3.76Å; E312-Y314 HydrophobicContact CB-CE1 4.31Å; E312-Y314 HydrophobicContact CB-CE2 3.53Å; E312-Y314 HydrophobicContact CB-CG 4.23Å; E312-Y314 HydrophobicContact CG-CE2 3.93Å; E312-Y314 PolarHBondContact O-N 2.58Å; E312-Y314 VanDerWaalsContact O-N 3.12Å; E312-K401 VanDerWaalsContact O-CE 3.28Å; E312-K401 WeakPolarHBondContact O-CE 3.45Å; E312-K401 PolarHBondContact O-NZ 3.04Å
313	D	91.9	Very high	95	Very high	67 Å²	67	33.8 Å²	33.8	36%	0.358	18%	0.183	S	C	.	.			trans	48	40.1	-175.3	-69.4	-54.6	0	0	0	113	S310 N315 K347	S310-D313 PolarHBondContact O-N 2.92Å; S310-D313 PolarHBondContact OG-N 3.09Å; D313-N315 PolarHBondContact O-N 3.2Å; D313-K347 IonicContact OD1-NZ 3.61Å; D313-K347 PolarHBondContact OD1-NZ 3.15Å
314	Y	95.5	Very high	94.9	Very high	54 Å²	54	35.3 Å²	35.3	21%	0.212	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.3	172	-68	-49.1	0	0	0	110	S310 E312 S350 P351 E352	S310-Y314 PolarHBondContact OG-N 3.49Å; S310-Y314 VanDerWaalsContact OG-N 3.11Å; E312-Y314 HydrophobicContact CB-CD1 4.48Å; E312-Y314 HydrophobicContact CB-CD2 3.76Å; E312-Y314 HydrophobicContact CB-CE1 4.31Å; E312-Y314 HydrophobicContact CB-CE2 3.53Å; E312-Y314 HydrophobicContact CB-CG 4.23Å; E312-Y314 HydrophobicContact CG-CE2 3.93Å; E312-Y314 PolarHBondContact O-N 2.58Å; E312-Y314 VanDerWaalsContact O-N 3.12Å; Y314-S350 CarbonylContact C-O 3.56Å; Y314-S350 WeakPolarHBondContact CA-O 3.29Å; Y314-S350 WeakPolarHBondContact CD1-O 3.41Å; Y314-P351 WeakPolarHBondContact CD1-O 3.29Å; Y314-P351 VanDerWaalsContact CE1-O 3.3Å; Y314-P351 WeakPolarHBondContact CE1-O 3.05Å; Y314-E352 HydrophobicContact CD2-CB 4.11Å; Y314-E352 HydrophobicContact CD2-CG 4.22Å; Y314-E352 HydrophobicContact CE2-CB 4.35Å; Y314-E352 HydrophobicContact CE2-CG 4.12Å; Y314-E352 HydrophobicContact CG-CB 4.29Å
315	N	96.3	Very high	94.8	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-16	176.7	65.6	-4.4	0	0	0	112.7	D313 Y339 S342 S350	D313-N315 PolarHBondContact O-N 3.2Å; N315-Y339 WeakPolarHBondContact ND2-CE1 3.34Å; N315-S342 WeakPolarHBondContact CB-OG 3.22Å; N315-S342 PolarHBondContact ND2-OG 3.31Å; N315-S350 PolarHBondContact N-O 2.87Å; N315-S350 PolarHBondContact OD1-O 3.36Å
316	V	97.7	Very high	94.7	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.4	177.1	173	0	0	0	0	109.7	F304 I319 S338 P351 E352 Y363	F304-V316 HydrophobicContact CB-CG1 4.17Å; F304-V316 HydrophobicContact CB-CG2 4.43Å; F304-V316 HydrophobicContact CD2-CG2 3.87Å; F304-V316 HydrophobicContact CE2-CG2 4.38Å; F304-V316 HydrophobicContact CG-CG2 4.23Å; V316-I319 HydrophobicContact CG1-CB 3.86Å; V316-I319 HydrophobicContact CG1-CG2 4.19Å; V316-S338 VanDerWaalsContact CG2-CB 3.49Å; V316-S338 WeakPolarHBondContact CG2-OG 3.41Å; V316-P351 HydrophobicContact CB-CB 4.42Å; V316-P351 CarbonylContact O-C 3.6Å; V316-P351 WeakPolarHBondContact O-CA 3.49Å; V316-E352 PolarHBondContact O-N 3.32Å; V316-Y363 WeakPolarHBondContact CB-OH 3.21Å; V316-Y363 WeakPolarHBondContact CG2-OH 3.39Å
317	A	95.1	Very high	94.5	Very high	16 Å²	16	44.7 Å²	44.7	13%	0.132	23%	0.231	C	C	.	.	S	Bend	trans	-91.3	-47.5	171.7	0	0	0	0	0	111.6	F285 S305 E352	F285-A317 HydrophobicContact CD1-CB 4.45Å; F285-A317 HydrophobicContact CE1-CB 3.99Å; S305-A317 PolarHBondContact O-N 2.7Å; A317-E352 WeakPolarHBondContact CA-OE2 3.35Å; A317-E352 WeakPolarHBondContact CB-OE2 3.36Å
318	C	95.3	Very high	94.5	Very high	22 Å²	22	47 Å²	47	15%	0.149	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.5	173	-64.7	0	0	0	0	109.3	L273 F304 S305	L273-C318 HydrophobicContact CD1-CB 4.24Å; F304-C318 CarbonylContact C-O 3.47Å; F304-C318 WeakPolarHBondContact CA-O 3.32Å; F304-C318 WeakPolarHBondContact CB-O 3.34Å; S305-C318 PolarHBondContact N-O 3.47Å; S305-C318 WeakPolarHBondContact OG-CB 3.42Å; S305-C318 PolarHBondContact OG-N 2.63Å
319	I	97.1	Very high	94.6	Very high	32 Å²	32	46.9 Å²	46.9	16%	0.164	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.5	175.1	-176.3	166.9	0	0	0	109.8	Y303 F304 V316 L334 I335 Y363	Y303-I319 WeakPolarHBondContact O-CA 3.36Å; F304-I319 HydrophobicContact CB-CB 4.06Å; F304-I319 HydrophobicContact CB-CG1 4.14Å; V316-I319 HydrophobicContact CG1-CB 3.86Å; V316-I319 HydrophobicContact CG1-CG2 4.19Å; I319-L334 HydrophobicContact CD1-CB 3.68Å; I319-L334 HydrophobicContact CD1-CD1 4.21Å; I319-L334 HydrophobicContact CG1-CB 4.29Å; I319-L334 HydrophobicContact CG1-CD1 3.93Å; I319-I335 HydrophobicContact CD1-CG1 3.75Å; I319-Y363 HydrophobicContact CG2-CE2 4.45Å
320	L	97.1	Very high	94.9	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	132	178.8	178.2	65	0	0	0	110.9	A269 F272 L273 G302 Y303 L322	A269-L320 HydrophobicContact CB-CD2 3.97Å; F272-L320 HydrophobicContact CB-CD1 3.69Å; F272-L320 HydrophobicContact CB-CD2 4.11Å; F272-L320 HydrophobicContact CD2-CD2 4.1Å; L273-L320 HydrophobicContact CD1-CB 4.39Å; L273-L320 HydrophobicContact CD2-CD1 4.23Å; L273-L320 HydrophobicContact CG-CD1 4.43Å; G302-L320 CarbonylContact C-O 3.52Å; G302-L320 WeakPolarHBondContact CA-O 3.4Å; Y303-L320 HydrophobicContact CD1-CB 4.23Å; Y303-L320 HydrophobicContact CE1-CB 3.96Å; Y303-L320 HydrophobicContact CE1-CD2 4.29Å; Y303-L320 PolarHBondContact N-O 2.53Å; Y303-L320 PolarHBondContact O-N 3.09Å; L320-L322 HydrophobicContact CD2-CD2 4.12Å
321	V	98.2	Very high	95.3	Very high	17 Å²	17	42.4 Å²	42.4	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.7	158.1	179.3	0	0	0	0	107.3	F325 Q326 L334	V321-F325 HydrophobicContact CG1-CB 3.96Å; V321-Q326 HydrophobicContact CB-CG 4.22Å; V321-Q326 HydrophobicContact CG1-CG 3.98Å; V321-Q326 PolarHBondContact O-NE2 3.09Å; V321-L334 HydrophobicContact CG2-CD1 3.73Å
322	L	97.9	Very high	95.7	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.197	C	C	.	.			trans	-60.8	143.8	-179.8	-71.4	176.3	0	0	0	110.4	L186 L268 F272 L300 V301 L320 P324 F325 Q326	L186-L322 HydrophobicContact CD2-CD1 3.67Å; L268-L322 HydrophobicContact CD2-CD2 4.42Å; L268-L322 HydrophobicContact CG-CD2 4.37Å; F272-L322 HydrophobicContact CD2-CD2 4.05Å; F272-L322 HydrophobicContact CE2-CD2 3.94Å; L300-L322 HydrophobicContact CB-CD1 4.49Å; L300-L322 HydrophobicContact CD2-CD1 3.91Å; L300-L322 HydrophobicContact CG-CD1 3.81Å; V301-L322 WeakPolarHBondContact O-CB 3.43Å; V301-L322 PolarHBondContact O-N 3.2Å; L320-L322 HydrophobicContact CD2-CD2 4.12Å; L322-P324 VanDerWaalsContact C-CD 3.42Å; L322-P324 VanDerWaalsContact O-N 3.13Å; L322-F325 HydrophobicContact CB-CD2 3.96Å; L322-F325 HydrophobicContact CB-CE2 4.47Å; L322-F325 PolarHBondContact O-N 3.41Å; L322-Q326 PolarHBondContact O-N 3.2Å
323	P	96.5	Very high	96	Very high	30 Å²	30	33.9 Å²	33.9	20%	0.195	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-49.6	-42.4	-172.2	-27.8	34.1	0	0	0	115.9	I191 W194 F272 F325 Q326	I191-P323 HydrophobicContact CG2-CB 4.09Å; I191-P323 HydrophobicContact CG2-CG 3.85Å; W194-P323 HydrophobicContact CH2-CG 4.23Å; W194-P323 HydrophobicContact CZ2-CB 4.05Å; W194-P323 HydrophobicContact CZ2-CG 3.77Å; F272-P323 HydrophobicContact CD1-CG 3.63Å; F272-P323 HydrophobicContact CE1-CG 3.61Å; F272-P323 HydrophobicContact CG-CG 4.21Å; F272-P323 HydrophobicContact CZ-CG 4.17Å; P323-F325 PolarHBondContact O-N 3.31Å; P323-Q326 PolarHBondContact O-N 3.23Å
324	P	97	Very high	96.4	Very high	35 Å²	35	30.7 Å²	30.7	23%	0.227	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-63.9	-13.4	179.2	-22.7	35	0	0	0	115.4	Y189 I191 L322 K328	Y189-P324 HydrophobicContact CD1-CB 3.75Å; Y189-P324 HydrophobicContact CD1-CG 3.97Å; Y189-P324 HydrophobicContact CD2-CB 4.03Å; Y189-P324 HydrophobicContact CD2-CG 4.03Å; Y189-P324 HydrophobicContact CE1-CB 3.8Å; Y189-P324 HydrophobicContact CE2-CB 4.06Å; Y189-P324 HydrophobicContact CG-CB 3.87Å; Y189-P324 HydrophobicContact CG-CG 3.7Å; I191-P324 HydrophobicContact CD1-CG 3.66Å; I191-P324 HydrophobicContact CG1-CG 3.9Å; L322-P324 VanDerWaalsContact C-CD 3.42Å; L322-P324 VanDerWaalsContact O-N 3.13Å; P324-K328 PolarHBondContact O-NZ 2.53Å
325	F	96.9	Very high	96.5	Very high	9 Å²	9	28.2 Å²	28.2	4%	0.039	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-113.2	2.8	-176.9	-54.4	-85.8	0	0	0	113.1	Y189 L300 V301 V321 L322 P323 Y330	Y189-F325 HydrophobicContact CD2-CE2 4.49Å; Y189-F325 HydrophobicContact CD2-CZ 4.47Å; Y189-F325 HydrophobicContact CE2-CE1 4.32Å; Y189-F325 HydrophobicContact CE2-CE2 4.03Å; Y189-F325 AromaticContact CE2-CZ 3.64Å; Y189-F325 HydrophobicContact CE2-CZ 3.64Å; L300-F325 WeakPolarHBondContact O-CE2 2.99Å; V301-F325 HydrophobicContact CB-CG 4.38Å; V301-F325 HydrophobicContact CG1-CB 3.81Å; V301-F325 HydrophobicContact CG1-CD1 4.25Å; V301-F325 HydrophobicContact CG1-CD2 4.5Å; V301-F325 HydrophobicContact CG1-CG 3.97Å; V301-F325 HydrophobicContact CG2-CD1 4.01Å; V301-F325 HydrophobicContact CG2-CE1 4.01Å; V301-F325 HydrophobicContact CG2-CG 4.36Å; V301-F325 HydrophobicContact CG2-CZ 4.34Å; V321-F325 HydrophobicContact CG1-CB 3.96Å; L322-F325 HydrophobicContact CB-CD2 3.96Å; L322-F325 HydrophobicContact CB-CE2 4.47Å; L322-F325 PolarHBondContact O-N 3.41Å; P323-F325 PolarHBondContact O-N 3.31Å; F325-Y330 HydrophobicContact CB-CD2 3.85Å; F325-Y330 HydrophobicContact CB-CE2 4.1Å; F325-Y330 HydrophobicContact CD1-CE2 4.3Å; F325-Y330 WeakPolarHBondContact O-CD2 3.4Å
326	Q	95.1	Very high	96.6	Very high	53 Å²	53	28.3 Å²	28.3	25%	0.248	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	159.3	176.7	-67.4	179.2	-3.2	0	0	111.7	V321 L322 P323 K328	V321-Q326 HydrophobicContact CB-CG 4.22Å; V321-Q326 HydrophobicContact CG1-CG 3.98Å; V321-Q326 PolarHBondContact O-NE2 3.09Å; L322-Q326 PolarHBondContact O-N 3.2Å; P323-Q326 PolarHBondContact O-N 3.23Å; Q326-K328 PolarHBondContact O-N 3.06Å
327	R	91.6	Very high	96.6	Very high	154 Å²	154	28.2 Å²	28.2	58%	0.581	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	31.2	-177	-52.6	-173.4	-176.1	-177.3	2.9	114.6	T154	T154-R327 PolarHBondContact OG1-NH1 3.12Å
328	K	94.3	Very high	96.8	Very high	104 Å²	104	27.4 Å²	27.4	45%	0.452	14%	0.141	S	C	.	.	S	Bend	trans	-119.3	14.2	174.1	-58.8	-177.8	-175.6	175.7	0	113	P324 Q326 Y330 L443	P324-K328 PolarHBondContact O-NZ 2.53Å; Q326-K328 PolarHBondContact O-N 3.06Å; K328-Y330 VanDerWaalsContact C-N 3.31Å; K328-Y330 HydrophobicContact CB-CD2 3.94Å; K328-Y330 HydrophobicContact CB-CE2 4Å; K328-Y330 HydrophobicContact CD-CE2 4.19Å; K328-Y330 PolarHBondContact O-N 2.94Å; K328-L443 VanDerWaalsContact O-CD1 3.28Å; K328-L443 WeakPolarHBondContact O-CD1 3.48Å
329	G	94.8	Very high	96.9	Very high	29 Å²	29	26.4 Å²	26.4	30%	0.299	13%	0.134	S	C	.	.	S	Bend	trans	82.3	-6.6	-175.9	0	0	0	0	0	116	G331 K332 Y333	G329-G331 VanDerWaalsContact C-N 3.28Å; G329-G331 PolarHBondContact O-N 3Å; G329-K332 PolarHBondContact O-N 3.26Å; G329-Y333 PolarHBondContact O-N 2.94Å; G329-Y333 VanDerWaalsContact O-N 3.09Å
330	Y	97.6	Very high	96.9	Very high	14 Å²	14	25.8 Å²	25.8	6%	0.055	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-30.5	-176.9	-69.8	-48.9	0	0	0	115.1	H248 L290 E292 V301 F325 K328 Y333 L334 L443	H248-Y330 AromaticContact CD2-CE1 3.61Å; H248-Y330 AromaticContact NE2-CE1 3.36Å; H248-Y330 WeakPolarHBondContact NE2-CE1 3.48Å; H248-Y330 AromaticContact NE2-CZ 3.63Å; H248-Y330 PolarHBondContact NE2-OH 3.39Å; L290-Y330 HydrophobicContact CD2-CD1 3.6Å; L290-Y330 HydrophobicContact CD2-CE1 4.22Å; L290-Y330 HydrophobicContact CD2-CG 4.15Å; E292-Y330 PolarHBondContact OE1-OH 3.38Å; V301-Y330 HydrophobicContact CG1-CD1 4.03Å; V301-Y330 HydrophobicContact CG1-CD2 3.37Å; V301-Y330 HydrophobicContact CG1-CE1 4.28Å; V301-Y330 HydrophobicContact CG1-CE2 3.63Å; V301-Y330 HydrophobicContact CG1-CG 3.59Å; F325-Y330 HydrophobicContact CB-CD2 3.85Å; F325-Y330 HydrophobicContact CB-CE2 4.1Å; F325-Y330 HydrophobicContact CD1-CE2 4.3Å; F325-Y330 WeakPolarHBondContact O-CD2 3.4Å; K328-Y330 VanDerWaalsContact C-N 3.31Å; K328-Y330 HydrophobicContact CB-CD2 3.94Å; K328-Y330 HydrophobicContact CB-CE2 4Å; K328-Y330 HydrophobicContact CD-CE2 4.19Å; K328-Y330 PolarHBondContact O-N 2.94Å; Y330-Y333 HydrophobicContact CD1-CD1 4.27Å; Y330-Y333 WeakPolarHBondContact O-CB 3.5Å; Y330-Y333 PolarHBondContact O-N 3.24Å; Y330-L334 WeakPolarHBondContact O-CG 3.34Å; Y330-L334 PolarHBondContact O-N 3Å; Y330-L443 HydrophobicContact CD1-CD1 3.68Å; Y330-L443 HydrophobicContact CE1-CD1 3.63Å; Y330-L443 HydrophobicContact CG-CD1 4.49Å
331	G	96.7	Very high	96.9	Very high	17 Å²	17	25.4 Å²	25.4	18%	0.175	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-51.8	176.2	0	0	0	0	0	111.6	G329 Y333 L334 I335	G329-G331 VanDerWaalsContact C-N 3.28Å; G329-G331 PolarHBondContact O-N 3Å; G331-Y333 PolarHBondContact O-N 3.24Å; G331-L334 PolarHBondContact O-N 2.99Å; G331-I335 VanDerWaalsContact O-CG1 3.27Å; G331-I335 WeakPolarHBondContact O-CG1 3.29Å; G331-I335 PolarHBondContact O-N 3.38Å; G331-I335 VanDerWaalsContact O-N 3.12Å
332	K	96.4	Very high	96.8	Very high	37 Å²	37	24.7 Å²	24.7	16%	0.161	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-34.3	174.6	-68.9	-179	-179.4	177.1	0	112.2	G329 I335 E336 S365	G329-K332 PolarHBondContact O-N 3.26Å; K332-I335 PolarHBondContact O-N 3.28Å; K332-E336 WeakPolarHBondContact O-CB 3.44Å; K332-E336 PolarHBondContact O-N 3.02Å; K332-S365 VanDerWaalsContact CE-CB 3.46Å; K332-S365 WeakPolarHBondContact CE-OG 3.49Å; K332-S365 PolarHBondContact NZ-OG 2.8Å
333	Y	98.1	Very high	96.7	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-67.1	-42.9	179.8	-166.6	-136.5	0	0	0	112.5	Y243 H248 F250 L290 G329 Y330 G331 F337 L443 V445	Y243-Y333 WeakPolarHBondContact CE1-OH 3.04Å; Y243-Y333 PolarHBondContact OH-OH 2.84Å; H248-Y333 HydrophobicContact CB-CE1 3.98Å; F250-Y333 HydrophobicContact CE2-CD1 4.13Å; F250-Y333 AromaticContact CE2-CE1 3.73Å; F250-Y333 HydrophobicContact CE2-CE1 3.73Å; F250-Y333 HydrophobicContact CZ-CD1 4.27Å; F250-Y333 HydrophobicContact CZ-CE1 4.34Å; L290-Y333 HydrophobicContact CD1-CD1 4.14Å; L290-Y333 HydrophobicContact CD1-CE1 3.91Å; L290-Y333 HydrophobicContact CD2-CD1 3.98Å; G329-Y333 PolarHBondContact O-N 2.94Å; G329-Y333 VanDerWaalsContact O-N 3.09Å; Y330-Y333 HydrophobicContact CD1-CD1 4.27Å; Y330-Y333 WeakPolarHBondContact O-CB 3.5Å; Y330-Y333 PolarHBondContact O-N 3.24Å; G331-Y333 PolarHBondContact O-N 3.24Å; Y333-F337 WeakPolarHBondContact O-CB 3.45Å; Y333-F337 PolarHBondContact O-N 3.07Å; Y333-L443 HydrophobicContact CD2-CB 4.2Å; Y333-L443 HydrophobicContact CG-CB 4.27Å; Y333-V445 HydrophobicContact CD2-CG2 3.58Å; Y333-V445 HydrophobicContact CE2-CB 4.23Å; Y333-V445 HydrophobicContact CE2-CG2 3.42Å; Y333-V445 VanDerWaalsContact CE2-CG2 3.42Å
334	L	98.6	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-43	172.3	-69.4	175.5	0	0	0	111.6	F250 L290 F304 I319 V321 Y330 G331 F337 S338	F250-L334 HydrophobicContact CE1-CD2 3.54Å; F250-L334 HydrophobicContact CZ-CD2 3.9Å; L290-L334 HydrophobicContact CB-CD2 3.68Å; L290-L334 HydrophobicContact CD2-CD2 3.98Å; L290-L334 HydrophobicContact CD2-CG 4.34Å; L290-L334 HydrophobicContact CG-CD2 4.48Å; F304-L334 HydrophobicContact CD1-CB 4.39Å; F304-L334 HydrophobicContact CD1-CD2 4.28Å; I319-L334 HydrophobicContact CD1-CB 3.68Å; I319-L334 HydrophobicContact CD1-CD1 4.21Å; I319-L334 HydrophobicContact CG1-CB 4.29Å; I319-L334 HydrophobicContact CG1-CD1 3.93Å; V321-L334 HydrophobicContact CG2-CD1 3.73Å; Y330-L334 WeakPolarHBondContact O-CG 3.34Å; Y330-L334 PolarHBondContact O-N 3Å; G331-L334 PolarHBondContact O-N 2.99Å; L334-F337 PolarHBondContact O-N 3.02Å; L334-S338 PolarHBondContact O-N 2.83Å
335	I	98.5	Very high	96.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-46.3	178.4	-64.6	166.7	0	0	0	111.2	I319 G331 K332 F337 S338 Y339 Y363 Y366	I319-I335 HydrophobicContact CD1-CG1 3.75Å; G331-I335 VanDerWaalsContact O-CG1 3.27Å; G331-I335 WeakPolarHBondContact O-CG1 3.29Å; G331-I335 PolarHBondContact O-N 3.38Å; G331-I335 VanDerWaalsContact O-N 3.12Å; K332-I335 PolarHBondContact O-N 3.28Å; I335-F337 VanDerWaalsContact C-N 3.27Å; I335-F337 PolarHBondContact O-N 3.13Å; I335-S338 PolarHBondContact O-N 2.96Å; I335-S338 PolarHBondContact O-OG 2.84Å; I335-Y339 HydrophobicContact CG2-CD2 3.92Å; I335-Y339 HydrophobicContact CG2-CE2 3.88Å; I335-Y339 VanDerWaalsContact O-CD2 3.29Å; I335-Y339 WeakPolarHBondContact O-CD2 3.26Å; I335-Y339 PolarHBondContact O-N 3Å; I335-Y339 VanDerWaalsContact O-N 3.15Å; I335-Y363 HydrophobicContact CB-CE1 4.35Å; I335-Y363 HydrophobicContact CD1-CD1 4.11Å; I335-Y363 HydrophobicContact CD1-CD2 3.77Å; I335-Y363 HydrophobicContact CD1-CE1 4.21Å; I335-Y363 HydrophobicContact CD1-CE2 3.87Å; I335-Y363 HydrophobicContact CD1-CG 3.89Å; I335-Y363 HydrophobicContact CG1-CD1 4.35Å; I335-Y363 HydrophobicContact CG1-CD2 4.32Å; I335-Y363 HydrophobicContact CG1-CE1 3.96Å; I335-Y363 HydrophobicContact CG1-CE2 3.92Å; I335-Y363 HydrophobicContact CG2-CD1 3.81Å; I335-Y363 HydrophobicContact CG2-CE1 3.52Å; I335-Y366 HydrophobicContact CB-CG 4.31Å; I335-Y366 HydrophobicContact CG2-CD1 3.35Å; I335-Y366 HydrophobicContact CG2-CD2 4.12Å; I335-Y366 HydrophobicContact CG2-CE1 3.77Å; I335-Y366 HydrophobicContact CG2-CE2 4.46Å; I335-Y366 HydrophobicContact CG2-CG 3.54Å
336	E	98.1	Very high	96.3	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-43.8	176.3	-171.8	167.8	-146.7	0	0	110.4	K332 S338 Y339 E340 Y366 R441 R444 V445	K332-E336 WeakPolarHBondContact O-CB 3.44Å; K332-E336 PolarHBondContact O-N 3.02Å; E336-S338 VanDerWaalsContact C-N 3.35Å; E336-S338 PolarHBondContact O-N 2.85Å; E336-Y339 PolarHBondContact O-N 3.06Å; E336-Y339 VanDerWaalsContact O-N 3.13Å; E336-E340 WeakPolarHBondContact O-CG 3.34Å; E336-E340 PolarHBondContact O-N 2.88Å; E336-Y366 HydrophobicContact CB-CD2 4.26Å; E336-Y366 HydrophobicContact CB-CE2 3.53Å; E336-Y366 HydrophobicContact CG-CE2 3.89Å; E336-R441 IonicContact OE1-NH2 2.8Å; E336-R441 PolarHBondContact OE1-NH2 3.02Å; E336-R441 VanDerWaalsContact OE1-NH2 3.1Å; E336-R441 IonicContact OE2-CZ 3.46Å; E336-R441 IonicContact OE2-NH2 3.26Å; E336-R441 PolarHBondContact OE2-NH2 3.41Å; E336-R444 IonicContact OE1-CZ 3.56Å; E336-R444 IonicContact OE1-NE 3.96Å; E336-R444 PolarHBondContact OE1-NE 3.41Å; E336-R444 IonicContact OE1-NH2 2.88Å; E336-R444 PolarHBondContact OE1-NH2 2.84Å; E336-R444 VanDerWaalsContact OE1-NH2 3.15Å; E336-R444 WeakPolarHBondContact OE2-CA 3.2Å; E336-R444 IonicContact OE2-NE 3.35Å; E336-V445 HydrophobicContact CB-CG2 3.94Å; E336-V445 HydrophobicContact CG-CB 4.03Å; E336-V445 HydrophobicContact CG-CG2 3.87Å; E336-V445 PolarHBondContact OE2-N 2.9Å
337	F	98.5	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-43	177.7	-166.1	-87.1	0	0	0	112.3	V242 Y243 F250 Y288 F304 Y333 L334 I335 Y339 E340 L341 V445 L450	V242-F337 HydrophobicContact CG2-CZ 3.97Å; Y243-F337 HydrophobicContact CD1-CE2 4.34Å; Y243-F337 AromaticContact CD2-CE2 3.99Å; Y243-F337 HydrophobicContact CD2-CE2 3.99Å; Y243-F337 AromaticContact CG-CE2 3.71Å; Y243-F337 HydrophobicContact CG-CE2 3.71Å; F250-F337 HydrophobicContact CB-CE1 4.29Å; F250-F337 HydrophobicContact CB-CE2 4.04Å; F250-F337 HydrophobicContact CB-CZ 3.78Å; F250-F337 AromaticContact CD1-CD1 3.91Å; F250-F337 HydrophobicContact CD1-CD1 3.91Å; F250-F337 HydrophobicContact CD1-CD2 4.22Å; F250-F337 AromaticContact CD1-CE1 3.96Å; F250-F337 HydrophobicContact CD1-CE1 3.96Å; F250-F337 HydrophobicContact CD1-CE2 4.27Å; F250-F337 HydrophobicContact CD1-CG 4.04Å; F250-F337 HydrophobicContact CD1-CZ 4.14Å; F250-F337 AromaticContact CD2-CD2 3.68Å; F250-F337 HydrophobicContact CD2-CD2 3.68Å; F250-F337 AromaticContact CD2-CE2 3.65Å; F250-F337 HydrophobicContact CD2-CE2 3.65Å; F250-F337 HydrophobicContact CD2-CG 4.26Å; F250-F337 HydrophobicContact CD2-CZ 4.21Å; F250-F337 HydrophobicContact CE1-CB 4.01Å; F250-F337 AromaticContact CE1-CD1 3.89Å; F250-F337 HydrophobicContact CE1-CD1 3.89Å; F250-F337 HydrophobicContact CE1-CD2 4.13Å; F250-F337 HydrophobicContact CE1-CE1 4.41Å; F250-F337 AromaticContact CE1-CG 3.72Å; F250-F337 HydrophobicContact CE1-CG 3.72Å; F250-F337 HydrophobicContact CE2-CB 4.31Å; F250-F337 AromaticContact CE2-CD2 3.58Å; F250-F337 HydrophobicContact CE2-CD2 3.58Å; F250-F337 HydrophobicContact CE2-CE2 4.07Å; F250-F337 AromaticContact CE2-CG 3.98Å; F250-F337 HydrophobicContact CE2-CG 3.98Å; F250-F337 HydrophobicContact CG-CD1 4.36Å; F250-F337 AromaticContact CG-CD2 3.99Å; F250-F337 HydrophobicContact CG-CD2 3.99Å; F250-F337 HydrophobicContact CG-CE1 4.13Å; F250-F337 AromaticContact CG-CE2 3.75Å; F250-F337 HydrophobicContact CG-CE2 3.75Å; F250-F337 HydrophobicContact CG-CG 4.28Å; F250-F337 AromaticContact CG-CZ 3.82Å; F250-F337 HydrophobicContact CG-CZ 3.82Å; F250-F337 HydrophobicContact CZ-CB 3.75Å; F250-F337 HydrophobicContact CZ-CD1 4.34Å; F250-F337 AromaticContact CZ-CD2 3.82Å; F250-F337 HydrophobicContact CZ-CD2 3.82Å; F250-F337 AromaticContact CZ-CG 3.7Å; F250-F337 HydrophobicContact CZ-CG 3.7Å; Y288-F337 AromaticContact CD1-CE1 3.93Å; Y288-F337 HydrophobicContact CD1-CE1 3.93Å; F304-F337 HydrophobicContact CE1-CB 4.5Å; F304-F337 AromaticContact CE1-CD1 3.84Å; F304-F337 HydrophobicContact CE1-CD1 3.84Å; F304-F337 AromaticContact CZ-CD1 3.94Å; F304-F337 HydrophobicContact CZ-CD1 3.94Å; Y333-F337 WeakPolarHBondContact O-CB 3.45Å; Y333-F337 PolarHBondContact O-N 3.07Å; L334-F337 PolarHBondContact O-N 3.02Å; I335-F337 VanDerWaalsContact C-N 3.27Å; I335-F337 PolarHBondContact O-N 3.13Å; F337-Y339 VanDerWaalsContact C-N 3.28Å; F337-Y339 PolarHBondContact O-N 2.93Å; F337-E340 PolarHBondContact O-N 2.83Å; F337-L341 HydrophobicContact CD1-CD1 4.21Å; F337-L341 HydrophobicContact CD1-CG 4.31Å; F337-L341 HydrophobicContact CE1-CD1 4.04Å; F337-L341 HydrophobicContact CE1-CD2 4.16Å; F337-L341 HydrophobicContact CE1-CG 4.13Å; F337-L341 WeakPolarHBondContact O-CG 3.38Å; F337-L341 PolarHBondContact O-N 3.47Å; F337-L341 VanDerWaalsContact O-N 3.13Å; F337-V445 HydrophobicContact CB-CG2 4Å; F337-V445 HydrophobicContact CD2-CG1 4.01Å; F337-V445 HydrophobicContact CD2-CG2 4.21Å; F337-L450 HydrophobicContact CE1-CD1 4.43Å; F337-L450 HydrophobicContact CE2-CD1 3.81Å; F337-L450 HydrophobicContact CZ-CD1 3.5Å; F337-L450 VanDerWaalsContact CZ-CD1 3.5Å
338	S	98.2	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-33.4	177.2	64.5	0	0	0	0	112.7	V316 L334 I335 E336 L341 S342	V316-S338 VanDerWaalsContact CG2-CB 3.49Å; V316-S338 WeakPolarHBondContact CG2-OG 3.41Å; L334-S338 PolarHBondContact O-N 2.83Å; I335-S338 PolarHBondContact O-N 2.96Å; I335-S338 PolarHBondContact O-OG 2.84Å; E336-S338 VanDerWaalsContact C-N 3.35Å; E336-S338 PolarHBondContact O-N 2.85Å; S338-L341 PolarHBondContact O-N 2.83Å; S338-S342 PolarHBondContact O-N 2.87Å; S338-S342 VanDerWaalsContact O-N 3.15Å; S338-S342 PolarHBondContact O-OG 3.04Å
339	Y	98.2	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-75.1	-32	174.3	-81.7	-70.4	0	0	0	113.3	N315 I335 E336 F337 L341 S342 K343 G349 Y363 Y366 W367 C399 I400	N315-Y339 WeakPolarHBondContact ND2-CE1 3.34Å; I335-Y339 HydrophobicContact CG2-CD2 3.92Å; I335-Y339 HydrophobicContact CG2-CE2 3.88Å; I335-Y339 VanDerWaalsContact O-CD2 3.29Å; I335-Y339 WeakPolarHBondContact O-CD2 3.26Å; I335-Y339 PolarHBondContact O-N 3Å; I335-Y339 VanDerWaalsContact O-N 3.15Å; E336-Y339 PolarHBondContact O-N 3.06Å; E336-Y339 VanDerWaalsContact O-N 3.13Å; F337-Y339 VanDerWaalsContact C-N 3.28Å; F337-Y339 PolarHBondContact O-N 2.93Å; Y339-L341 VanDerWaalsContact C-N 3.27Å; Y339-L341 PolarHBondContact O-N 3.23Å; Y339-S342 WeakPolarHBondContact O-CB 3.46Å; Y339-S342 PolarHBondContact O-N 2.9Å; Y339-K343 WeakPolarHBondContact O-CG 3.29Å; Y339-K343 PolarHBondContact O-N 2.84Å; Y339-G349 VanDerWaalsContact CE1-O 3.32Å; Y339-G349 WeakPolarHBondContact CE1-O 3.49Å; Y339-G349 PolarHBondContact OH-O 3.18Å; Y339-Y363 HydrophobicContact CE2-CE1 4.2Å; Y339-Y366 WeakPolarHBondContact CB-OH 3.36Å; Y339-Y366 HydrophobicContact CD2-CD1 4.14Å; Y339-Y366 AromaticContact CD2-CE1 3.23Å; Y339-Y366 HydrophobicContact CD2-CE1 3.23Å; Y339-Y366 AromaticContact CD2-CZ 3.7Å; Y339-Y366 HydrophobicContact CE2-CD1 4.09Å; Y339-Y366 AromaticContact CE2-CE1 3.53Å; Y339-Y366 HydrophobicContact CE2-CE1 3.53Å; Y339-Y366 HydrophobicContact CG-CE1 4.08Å; Y339-W367 AromaticContact CE2-NE1 3.55Å; Y339-W367 AromaticContact CZ-NE1 3.48Å; Y339-W367 PolarHBondContact OH-NE1 2.83Å; Y339-C399 VanDerWaalsContact CE1-O 3.3Å; Y339-C399 WeakPolarHBondContact CE1-O 3.17Å; Y339-I400 HydrophobicContact CD1-CG1 4.18Å; Y339-I400 HydrophobicContact CE1-CB 4.27Å; Y339-I400 HydrophobicContact CE1-CG1 3.69Å
340	E	97.5	Very high	96.4	Very high	20 Å²	20	24.5 Å²	24.5	9%	0.093	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-36.2	170.4	-66.6	-50.5	134.9	0	0	111.7	E336 F337 K343 I344 V445 A447 L450	E336-E340 WeakPolarHBondContact O-CG 3.34Å; E336-E340 PolarHBondContact O-N 2.88Å; F337-E340 PolarHBondContact O-N 2.83Å; E340-K343 PolarHBondContact O-N 2.81Å; E340-K343 IonicContact OE1-NZ 2.72Å; E340-K343 PolarHBondContact OE1-NZ 3.18Å; E340-K343 IonicContact OE2-NZ 2.94Å; E340-I344 WeakPolarHBondContact O-CG1 3.32Å; E340-I344 PolarHBondContact O-N 3.04Å; E340-V445 HydrophobicContact CB-CG1 4.5Å; E340-V445 HydrophobicContact CG-CB 4.21Å; E340-V445 HydrophobicContact CG-CG1 3.83Å; E340-A447 WeakPolarHBondContact OE2-CB 3.4Å; E340-L450 HydrophobicContact CB-CD2 3.97Å
341	L	96.8	Very high	96.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-46.6	170.2	-60.6	176.2	0	0	0	111.5	Y288 F304 F337 S338 Y339 K343 I344 E345 L450 W452	Y288-L341 HydrophobicContact CD1-CD1 3.98Å; Y288-L341 HydrophobicContact CD2-CD1 4.16Å; Y288-L341 HydrophobicContact CE1-CD1 3.59Å; Y288-L341 HydrophobicContact CE1-CD2 4.37Å; Y288-L341 HydrophobicContact CE2-CD1 3.77Å; Y288-L341 HydrophobicContact CG-CD1 4.25Å; Y288-L341 VanDerWaalsContact CZ-CD1 3.48Å; F304-L341 HydrophobicContact CE2-CD1 4.3Å; F304-L341 HydrophobicContact CZ-CD1 3.86Å; F337-L341 HydrophobicContact CD1-CD1 4.21Å; F337-L341 HydrophobicContact CD1-CG 4.31Å; F337-L341 HydrophobicContact CE1-CD1 4.04Å; F337-L341 HydrophobicContact CE1-CD2 4.16Å; F337-L341 HydrophobicContact CE1-CG 4.13Å; F337-L341 WeakPolarHBondContact O-CG 3.38Å; F337-L341 PolarHBondContact O-N 3.47Å; F337-L341 VanDerWaalsContact O-N 3.13Å; S338-L341 PolarHBondContact O-N 2.83Å; Y339-L341 VanDerWaalsContact C-N 3.27Å; Y339-L341 PolarHBondContact O-N 3.23Å; L341-K343 VanDerWaalsContact C-N 3.28Å; L341-K343 PolarHBondContact O-N 2.86Å; L341-I344 PolarHBondContact O-N 2.79Å; L341-I344 VanDerWaalsContact O-N 3.12Å; L341-E345 WeakPolarHBondContact O-CG 3.43Å; L341-E345 PolarHBondContact O-N 2.95Å; L341-L450 HydrophobicContact CD2-CD1 4.33Å; L341-L450 HydrophobicContact CD2-CD2 4.14Å; L341-W452 HydrophobicContact CD2-CB 4.37Å; L341-W452 HydrophobicContact CD2-CD2 3.62Å; L341-W452 HydrophobicContact CD2-CE3 3.96Å; L341-W452 HydrophobicContact CD2-CG 3.8Å; L341-W452 HydrophobicContact CD2-CZ2 4.48Å
342	S	96.2	Very high	96.2	Very high	2 Å²	2	27 Å²	27	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-57.3	-38.8	176.9	-63.4	0	0	0	0	112.8	N315 S338 Y339 E345 G346 K347	N315-S342 WeakPolarHBondContact CB-OG 3.22Å; N315-S342 PolarHBondContact ND2-OG 3.31Å; S338-S342 PolarHBondContact O-N 2.87Å; S338-S342 VanDerWaalsContact O-N 3.15Å; S338-S342 PolarHBondContact O-OG 3.04Å; Y339-S342 WeakPolarHBondContact O-CB 3.46Å; Y339-S342 PolarHBondContact O-N 2.9Å; S342-E345 PolarHBondContact O-N 3.41Å; S342-G346 PolarHBondContact O-N 3.48Å; S342-K347 WeakPolarHBondContact CB-O 3.38Å; S342-K347 PolarHBondContact O-N 3.3Å; S342-K347 VanDerWaalsContact O-N 3.14Å
343	K	95.9	Very high	95.8	Very high	77 Å²	77	30.6 Å²	30.6	34%	0.335	16%	0.164	S	C	.	.	H	α-helix	trans	-62	-43.8	174.6	-72.2	170	-174.1	172.4	0	112.3	Y339 E340 L341 E345 G346 C399	Y339-K343 WeakPolarHBondContact O-CG 3.29Å; Y339-K343 PolarHBondContact O-N 2.84Å; E340-K343 PolarHBondContact O-N 2.81Å; E340-K343 IonicContact OE1-NZ 2.72Å; E340-K343 PolarHBondContact OE1-NZ 3.18Å; E340-K343 IonicContact OE2-NZ 2.94Å; L341-K343 VanDerWaalsContact C-N 3.28Å; L341-K343 PolarHBondContact O-N 2.86Å; K343-E345 VanDerWaalsContact C-N 3.33Å; K343-G346 PolarHBondContact O-N 3.42Å; K343-C399 HydrophobicContact CG-CB 4.11Å; K343-C399 WeakPolarHBondContact CG-SG 3.43Å
344	I	94.6	Very high	95.3	Very high	76 Å²	76	35 Å²	35	39%	0.39	19%	0.193	S	C	.	.	H	α-helix	trans	-68.7	-34.5	176.8	-61.6	170	0	0	0	111.1	E340 L341 G346 L450 W452	E340-I344 WeakPolarHBondContact O-CG1 3.32Å; E340-I344 PolarHBondContact O-N 3.04Å; L341-I344 PolarHBondContact O-N 2.79Å; L341-I344 VanDerWaalsContact O-N 3.12Å; I344-G346 PolarHBondContact O-N 3.12Å; I344-L450 HydrophobicContact CD1-CD2 3.45Å; I344-L450 VanDerWaalsContact CD1-CD2 3.45Å; I344-L450 HydrophobicContact CD1-CG 3.92Å; I344-W452 HydrophobicContact CB-CE3 3.93Å; I344-W452 HydrophobicContact CB-CZ3 3.88Å; I344-W452 HydrophobicContact CD1-CE3 4.08Å; I344-W452 HydrophobicContact CG2-CE3 3.64Å; I344-W452 HydrophobicContact CG2-CZ3 3.68Å
345	E	92.8	Very high	94.6	Very high	44 Å²	44	37 Å²	37	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-19.7	173.9	-70	-177.9	160.4	0	0	113.1	K306 L341 S342 K343 K347 W452	K306-E345 WeakPolarHBondContact CE-OE2 3.5Å; K306-E345 IonicContact NZ-OE1 3.15Å; K306-E345 PolarHBondContact NZ-OE1 2.92Å; K306-E345 IonicContact NZ-OE2 3.54Å; K306-E345 PolarHBondContact NZ-OE2 3.25Å; L341-E345 WeakPolarHBondContact O-CG 3.43Å; L341-E345 PolarHBondContact O-N 2.95Å; S342-E345 PolarHBondContact O-N 3.41Å; K343-E345 VanDerWaalsContact C-N 3.33Å; E345-K347 VanDerWaalsContact C-N 3.34Å; E345-W452 HydrophobicContact CG-CH2 3.47Å; E345-W452 VanDerWaalsContact CG-CH2 3.47Å; E345-W452 HydrophobicContact CG-CZ3 3.8Å; E345-W452 WeakPolarHBondContact OE1-CH2 3.39Å
346	G	92.6	Very high	94.1	Very high	66 Å²	66	38.7 Å²	38.7	68%	0.68	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	31.8	-175.7	0	0	0	0	0	112.5	S342 K343 I344	S342-G346 PolarHBondContact O-N 3.48Å; K343-G346 PolarHBondContact O-N 3.42Å; I344-G346 PolarHBondContact O-N 3.12Å
347	K	92.5	Very high	93.4	Very high	102 Å²	102	40.3 Å²	40.3	44%	0.443	22%	0.224	S	C	.	.			trans	-131.1	145.4	-177.4	-65.4	-175.9	169	-161.1	0	111.6	D313 S342 E345	D313-K347 IonicContact OD1-NZ 3.61Å; D313-K347 PolarHBondContact OD1-NZ 3.15Å; S342-K347 WeakPolarHBondContact CB-O 3.38Å; S342-K347 PolarHBondContact O-N 3.3Å; S342-K347 VanDerWaalsContact O-N 3.14Å; E345-K347 VanDerWaalsContact C-N 3.34Å
348	S	95.4	Very high	92.9	Very high	45 Å²	45	43.3 Å²	43.3	32%	0.315	24%	0.24	S	C	.	.			trans	-78.4	127.9	170.6	59.7	0	0	0	0	111.1	C399	S348-C399 CarbonylContact C-O 3.55Å; S348-C399 VanDerWaalsContact CA-O 3.26Å; S348-C399 WeakPolarHBondContact CA-O 3.35Å
349	G	95.1	Very high	92.6	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-111.8	156.4	-178.5	0	0	0	0	0	114.2	Y339 C399 K401	Y339-G349 VanDerWaalsContact CE1-O 3.32Å; Y339-G349 WeakPolarHBondContact CE1-O 3.49Å; Y339-G349 PolarHBondContact OH-O 3.18Å; G349-C399 PolarHBondContact N-O 3.26Å; G349-K401 PolarHBondContact O-N 2.94Å
350	S	96.4	Very high	92.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155	169.3	168.5	0	0	0	0	109.2	Y314 N315 D404	Y314-S350 CarbonylContact C-O 3.56Å; Y314-S350 WeakPolarHBondContact CA-O 3.29Å; Y314-S350 WeakPolarHBondContact CD1-O 3.41Å; N315-S350 PolarHBondContact N-O 2.87Å; N315-S350 PolarHBondContact OD1-O 3.36Å; S350-D404 WeakPolarHBondContact CB-OD2 3.19Å; S350-D404 PolarHBondContact OG-OD2 3.32Å
351	P	96.4	Very high	91.9	Very high	2 Å²	2	48 Å²	48	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	153.7	161.8	29.7	-34.5	0	0	0	111.8	Y314 V316 L355 Y363 W367	Y314-P351 WeakPolarHBondContact CD1-O 3.29Å; Y314-P351 VanDerWaalsContact CE1-O 3.3Å; Y314-P351 WeakPolarHBondContact CE1-O 3.05Å; V316-P351 HydrophobicContact CB-CB 4.42Å; V316-P351 CarbonylContact O-C 3.6Å; V316-P351 WeakPolarHBondContact O-CA 3.49Å; P351-L355 HydrophobicContact CB-CD2 3.8Å; P351-L355 HydrophobicContact CG-CD1 4.13Å; P351-L355 HydrophobicContact CG-CD2 3.97Å; P351-L355 HydrophobicContact CG-CG 4.41Å; P351-Y363 HydrophobicContact CB-CE1 4.03Å; P351-Y363 HydrophobicContact CB-CE2 3.82Å; P351-Y363 HydrophobicContact CG-CD1 3.93Å; P351-Y363 HydrophobicContact CG-CD2 4.18Å; P351-Y363 HydrophobicContact CG-CE1 3.65Å; P351-Y363 HydrophobicContact CG-CE2 3.94Å; P351-Y363 HydrophobicContact CG-CG 4.19Å; P351-W367 HydrophobicContact CG-CH2 4.35Å; P351-W367 HydrophobicContact CG-CZ2 4.18Å
352	E	92.3	Very high	91.8	Very high	82 Å²	82	49.7 Å²	49.7	38%	0.383	28%	0.278	S	S	.	.			trans	-61.8	146.5	164.5	-168.8	-178.7	164.6	0	0	110.5	Y314 V316 A317	Y314-E352 HydrophobicContact CD2-CB 4.11Å; Y314-E352 HydrophobicContact CD2-CG 4.22Å; Y314-E352 HydrophobicContact CE2-CB 4.35Å; Y314-E352 HydrophobicContact CE2-CG 4.12Å; Y314-E352 HydrophobicContact CG-CB 4.29Å; V316-E352 PolarHBondContact O-N 3.32Å; A317-E352 WeakPolarHBondContact CA-OE2 3.35Å; A317-E352 WeakPolarHBondContact CB-OE2 3.36Å
353	K	88.4	Confident	91.8	Very high	112 Å²	112	49.6 Å²	49.6	49%	0.487	28%	0.277	S	S	.	.	S	Bend	trans	-117.7	147	-175.5	-64.8	173.7	-177.7	174	0	109.3	D404	K353-D404 IonicContact NZ-OD1 3.66Å; K353-D404 PolarHBondContact NZ-OD1 3.29Å
354	P	88	Confident	91.7	Very high	94 Å²	94	48.3 Å²	48.3	61%	0.61	27%	0.271	S	S	*	.	S	Bend	cis	-80.3	145.3	5	32.3	-35	0	0	0	113.4
355	L	84.7	Confident	91.7	Very high	42 Å²	42	45 Å²	45	22%	0.22	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-76.4	142.3	170.2	-69.7	172.9	0	0	0	110.1	P351 L360 Y363	P351-L355 HydrophobicContact CB-CD2 3.8Å; P351-L355 HydrophobicContact CG-CD1 4.13Å; P351-L355 HydrophobicContact CG-CD2 3.97Å; P351-L355 HydrophobicContact CG-CG 4.41Å; L355-L360 HydrophobicContact CB-CB 4.2Å; L355-L360 HydrophobicContact CD1-CD1 4.24Å; L355-Y363 HydrophobicContact CD1-CD2 3.93Å; L355-Y363 HydrophobicContact CD1-CG 4.23Å; L355-Y363 HydrophobicContact CD2-CD2 3.92Å; L355-Y363 HydrophobicContact CD2-CE2 3.97Å
356	S	87.2	Confident	91.9	Very high	37 Å²	37	43 Å²	43	26%	0.259	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-62.4	157.9	163.2	67.1	0	0	0	0	110.6	L358 G359 L360	S356-L358 PolarHBondContact O-N 2.97Å; S356-G359 CarbonylContact O-C 3.52Å; S356-G359 WeakPolarHBondContact O-CA 3.43Å; S356-G359 PolarHBondContact O-N 3.5Å; S356-G359 PolarHBondContact OG-N 3.48Å; S356-L360 PolarHBondContact O-N 3.24Å
357	D	83.9	Confident	92.2	Very high	41 Å²	41	40.5 Å²	40.5	22%	0.219	21%	0.214	C	C	.	.	H	α-helix	trans	-52.3	-42.9	178.6	-56	-47.7	0	0	0	112.9	G163 S164 G359 L360 L361	G163-D357 WeakPolarHBondContact CA-OD2 3.3Å; S164-D357 PolarHBondContact N-OD2 2.64Å; S164-D357 VanDerWaalsContact N-OD2 3.1Å; D357-G359 VanDerWaalsContact C-N 3.33Å; D357-G359 PolarHBondContact O-N 3.24Å; D357-L360 PolarHBondContact O-N 3.01Å; D357-L361 WeakPolarHBondContact O-CG 3.43Å; D357-L361 PolarHBondContact O-N 2.51Å
358	L	87.4	Confident	92.4	Very high	63 Å²	63	36 Å²	36	33%	0.33	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-38	176.8	-69.4	-177.8	0	0	0	112	R52 W194 S356 S362	R52-L358 VanDerWaalsContact NH2-CD1 3.28Å; W194-L358 HydrophobicContact CH2-CD1 4.33Å; W194-L358 HydrophobicContact CZ3-CD1 4.35Å; S356-L358 PolarHBondContact O-N 2.97Å; L358-S362 WeakPolarHBondContact O-CB 3.17Å; L358-S362 PolarHBondContact O-N 3.06Å; L358-S362 VanDerWaalsContact O-N 3.13Å; L358-S362 PolarHBondContact O-OG 3.27Å
359	G	91.1	Very high	92.4	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-51	174	0	0	0	0	0	111	S356 D357 L361 S362 Y363	S356-G359 CarbonylContact O-C 3.52Å; S356-G359 WeakPolarHBondContact O-CA 3.43Å; S356-G359 PolarHBondContact O-N 3.5Å; S356-G359 PolarHBondContact OG-N 3.48Å; D357-G359 VanDerWaalsContact C-N 3.33Å; D357-G359 PolarHBondContact O-N 3.24Å; G359-L361 PolarHBondContact O-N 2.96Å; G359-S362 PolarHBondContact O-N 2.92Å; G359-S362 VanDerWaalsContact O-N 3.13Å; G359-Y363 WeakPolarHBondContact O-CD2 3.33Å; G359-Y363 PolarHBondContact O-N 3.34Å
360	L	90.9	Very high	92.5	Very high	63 Å²	63	34.7 Å²	34.7	33%	0.33	19%	0.186	S	C	.	.	H	α-helix	trans	-57	-48.3	-179.7	-178.3	62.4	0	0	0	111.7	L355 S356 D357 S362 Y363 R364	L355-L360 HydrophobicContact CB-CB 4.2Å; L355-L360 HydrophobicContact CD1-CD1 4.24Å; S356-L360 PolarHBondContact O-N 3.24Å; D357-L360 PolarHBondContact O-N 3.01Å; L360-S362 VanDerWaalsContact C-N 3.33Å; L360-S362 PolarHBondContact O-N 2.92Å; L360-Y363 PolarHBondContact O-N 2.93Å; L360-R364 HydrophobicContact CD1-CG 4.22Å; L360-R364 WeakPolarHBondContact O-CB 3.42Å; L360-R364 WeakPolarHBondContact O-CG 3.36Å; L360-R364 PolarHBondContact O-N 3.42Å
361	L	90.9	Very high	92.5	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-60.6	-42.6	176.8	-71.3	171.8	0	0	0	112	D357 G359 S365	D357-L361 WeakPolarHBondContact O-CG 3.43Å; D357-L361 PolarHBondContact O-N 2.51Å; G359-L361 PolarHBondContact O-N 2.96Å; L361-S365 VanDerWaalsContact O-CB 3.29Å; L361-S365 WeakPolarHBondContact O-CB 3.41Å; L361-S365 PolarHBondContact O-N 2.87Å
362	S	94.1	Very high	92.5	Very high	36 Å²	36	35 Å²	35	25%	0.252	19%	0.187	S	C	.	.	H	α-helix	trans	-66.3	-44.3	-179.9	-59.3	0	0	0	0	112	L358 G359 L360 Y366	L358-S362 WeakPolarHBondContact O-CB 3.17Å; L358-S362 PolarHBondContact O-N 3.06Å; L358-S362 VanDerWaalsContact O-N 3.13Å; L358-S362 PolarHBondContact O-OG 3.27Å; G359-S362 PolarHBondContact O-N 2.92Å; G359-S362 VanDerWaalsContact O-N 3.13Å; L360-S362 VanDerWaalsContact C-N 3.33Å; L360-S362 PolarHBondContact O-N 2.92Å; S362-Y366 WeakPolarHBondContact O-CB 3.2Å; S362-Y366 PolarHBondContact O-N 3.38Å
363	Y	97	Very high	92.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.5	-47.2	177.9	-88.4	-79.9	0	0	0	112.1	V316 I319 I335 Y339 P351 L355 G359 L360 S365 Y366 W367	V316-Y363 WeakPolarHBondContact CB-OH 3.21Å; V316-Y363 WeakPolarHBondContact CG2-OH 3.39Å; I319-Y363 HydrophobicContact CG2-CE2 4.45Å; I335-Y363 HydrophobicContact CB-CE1 4.35Å; I335-Y363 HydrophobicContact CD1-CD1 4.11Å; I335-Y363 HydrophobicContact CD1-CD2 3.77Å; I335-Y363 HydrophobicContact CD1-CE1 4.21Å; I335-Y363 HydrophobicContact CD1-CE2 3.87Å; I335-Y363 HydrophobicContact CD1-CG 3.89Å; I335-Y363 HydrophobicContact CG1-CD1 4.35Å; I335-Y363 HydrophobicContact CG1-CD2 4.32Å; I335-Y363 HydrophobicContact CG1-CE1 3.96Å; I335-Y363 HydrophobicContact CG1-CE2 3.92Å; I335-Y363 HydrophobicContact CG2-CD1 3.81Å; I335-Y363 HydrophobicContact CG2-CE1 3.52Å; Y339-Y363 HydrophobicContact CE2-CE1 4.2Å; P351-Y363 HydrophobicContact CB-CE1 4.03Å; P351-Y363 HydrophobicContact CB-CE2 3.82Å; P351-Y363 HydrophobicContact CG-CD1 3.93Å; P351-Y363 HydrophobicContact CG-CD2 4.18Å; P351-Y363 HydrophobicContact CG-CE1 3.65Å; P351-Y363 HydrophobicContact CG-CE2 3.94Å; P351-Y363 HydrophobicContact CG-CG 4.19Å; L355-Y363 HydrophobicContact CD1-CD2 3.93Å; L355-Y363 HydrophobicContact CD1-CG 4.23Å; L355-Y363 HydrophobicContact CD2-CD2 3.92Å; L355-Y363 HydrophobicContact CD2-CE2 3.97Å; G359-Y363 WeakPolarHBondContact O-CD2 3.33Å; G359-Y363 PolarHBondContact O-N 3.34Å; L360-Y363 PolarHBondContact O-N 2.93Å; Y363-S365 VanDerWaalsContact C-N 3.29Å; Y363-S365 PolarHBondContact O-N 3.47Å; Y363-Y366 PolarHBondContact O-N 3.27Å; Y363-W367 HydrophobicContact CD1-CD2 4.48Å; Y363-W367 AromaticContact CD1-CE2 3.69Å; Y363-W367 HydrophobicContact CD1-CH2 4.3Å; Y363-W367 AromaticContact CD1-CZ2 3.59Å; Y363-W367 HydrophobicContact CD1-CZ2 3.59Å; Y363-W367 AromaticContact CD1-NE1 3.88Å; Y363-W367 HydrophobicContact CE1-CZ2 4.34Å; Y363-W367 HydrophobicContact CG-CZ2 4.26Å; Y363-W367 WeakPolarHBondContact O-CB 2.98Å; Y363-W367 PolarHBondContact O-N 3.22Å
364	R	94.5	Very high	92.9	Very high	51 Å²	51	29.6 Å²	29.6	19%	0.192	16%	0.164	C	C	.	.	H	α-helix	trans	-53.9	-48.4	175	-79.4	-176.6	173.1	-178.6	-0.8	111.2	D143 L360 A368 H411	D143-R364 IonicContact OD2-NH1 3.27Å; D143-R364 PolarHBondContact OD2-NH1 3.18Å; L360-R364 HydrophobicContact CD1-CG 4.22Å; L360-R364 WeakPolarHBondContact O-CB 3.42Å; L360-R364 WeakPolarHBondContact O-CG 3.36Å; L360-R364 PolarHBondContact O-N 3.42Å; R364-A368 VanDerWaalsContact O-CB 3.22Å; R364-A368 WeakPolarHBondContact O-CB 3.29Å; R364-A368 PolarHBondContact O-N 2.87Å; R364-H411 PolarHBondContact NH1-CE1 3.2Å
365	S	94.2	Very high	93.1	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.035	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-41.1	-179.5	-166.3	0	0	0	0	112.4	F149 K332 L361 Y363 Q369	F149-S365 VanDerWaalsContact CE2-OG 3.29Å; F149-S365 WeakPolarHBondContact CE2-OG 3.16Å; K332-S365 VanDerWaalsContact CE-CB 3.46Å; K332-S365 WeakPolarHBondContact CE-OG 3.49Å; K332-S365 PolarHBondContact NZ-OG 2.8Å; L361-S365 VanDerWaalsContact O-CB 3.29Å; L361-S365 WeakPolarHBondContact O-CB 3.41Å; L361-S365 PolarHBondContact O-N 2.87Å; Y363-S365 VanDerWaalsContact C-N 3.29Å; Y363-S365 PolarHBondContact O-N 3.47Å; S365-Q369 WeakPolarHBondContact O-CB 3.32Å; S365-Q369 WeakPolarHBondContact O-CG 3.47Å; S365-Q369 PolarHBondContact O-N 3.3Å; S365-Q369 VanDerWaalsContact O-N 3.14Å
366	Y	97.4	Very high	93.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-51.3	175.7	170.3	-95.1	0	0	0	111.9	I335 E336 Y339 S362 Y363 A368 Q369 T370	I335-Y366 HydrophobicContact CB-CG 4.31Å; I335-Y366 HydrophobicContact CG2-CD1 3.35Å; I335-Y366 HydrophobicContact CG2-CD2 4.12Å; I335-Y366 HydrophobicContact CG2-CE1 3.77Å; I335-Y366 HydrophobicContact CG2-CE2 4.46Å; I335-Y366 HydrophobicContact CG2-CG 3.54Å; E336-Y366 HydrophobicContact CB-CD2 4.26Å; E336-Y366 HydrophobicContact CB-CE2 3.53Å; E336-Y366 HydrophobicContact CG-CE2 3.89Å; Y339-Y366 WeakPolarHBondContact CB-OH 3.36Å; Y339-Y366 HydrophobicContact CD2-CD1 4.14Å; Y339-Y366 AromaticContact CD2-CE1 3.23Å; Y339-Y366 HydrophobicContact CD2-CE1 3.23Å; Y339-Y366 AromaticContact CD2-CZ 3.7Å; Y339-Y366 HydrophobicContact CE2-CD1 4.09Å; Y339-Y366 AromaticContact CE2-CE1 3.53Å; Y339-Y366 HydrophobicContact CE2-CE1 3.53Å; Y339-Y366 HydrophobicContact CG-CE1 4.08Å; S362-Y366 WeakPolarHBondContact O-CB 3.2Å; S362-Y366 PolarHBondContact O-N 3.38Å; Y363-Y366 PolarHBondContact O-N 3.27Å; Y366-A368 PolarHBondContact O-N 3.34Å; Y366-Q369 PolarHBondContact O-N 2.84Å; Y366-T370 WeakPolarHBondContact CE2-OG1 3.39Å; Y366-T370 WeakPolarHBondContact O-CB 3.48Å; Y366-T370 PolarHBondContact O-N 2.87Å; Y366-T370 PolarHBondContact O-OG1 2.68Å; Y366-T370 VanDerWaalsContact O-OG1 3.04Å
367	W	98	Very high	93.5	Very high	14 Å²	14	31.2 Å²	31.2	5%	0.053	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-45.4	-179.4	-67.7	-30.6	0	0	0	111.8	Y339 P351 Y363 Q369 T370 I371 I400 D404 T408	Y339-W367 AromaticContact CE2-NE1 3.55Å; Y339-W367 AromaticContact CZ-NE1 3.48Å; Y339-W367 PolarHBondContact OH-NE1 2.83Å; P351-W367 HydrophobicContact CG-CH2 4.35Å; P351-W367 HydrophobicContact CG-CZ2 4.18Å; Y363-W367 HydrophobicContact CD1-CD2 4.48Å; Y363-W367 AromaticContact CD1-CE2 3.69Å; Y363-W367 HydrophobicContact CD1-CH2 4.3Å; Y363-W367 AromaticContact CD1-CZ2 3.59Å; Y363-W367 HydrophobicContact CD1-CZ2 3.59Å; Y363-W367 AromaticContact CD1-NE1 3.88Å; Y363-W367 HydrophobicContact CE1-CZ2 4.34Å; Y363-W367 HydrophobicContact CG-CZ2 4.26Å; Y363-W367 WeakPolarHBondContact O-CB 2.98Å; Y363-W367 PolarHBondContact O-N 3.22Å; W367-Q369 VanDerWaalsContact C-N 3.32Å; W367-Q369 PolarHBondContact O-N 3.43Å; W367-T370 PolarHBondContact O-N 2.8Å; W367-I371 WeakPolarHBondContact O-CB 3.48Å; W367-I371 VanDerWaalsContact O-CG1 3.3Å; W367-I371 WeakPolarHBondContact O-CG1 3.49Å; W367-I371 PolarHBondContact O-N 2.75Å; W367-I400 HydrophobicContact CG-CD1 4.26Å; W367-D404 HydrophobicContact CD2-CB 4.42Å; W367-D404 HydrophobicContact CE3-CB 4.29Å; W367-D404 HydrophobicContact CH2-CB 3.73Å; W367-D404 HydrophobicContact CZ2-CB 3.86Å; W367-D404 HydrophobicContact CZ3-CB 3.96Å; W367-T408 HydrophobicContact CB-CG2 4.04Å
368	A	96.6	Very high	93.6	Very high	7 Å²	7	30 Å²	30	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-57.3	-46.5	176.2	0	0	0	0	0	111.4	L147 R364 Y366 L372 T408 L412	L147-A368 HydrophobicContact CD2-CB 4.47Å; R364-A368 VanDerWaalsContact O-CB 3.22Å; R364-A368 WeakPolarHBondContact O-CB 3.29Å; R364-A368 PolarHBondContact O-N 2.87Å; Y366-A368 PolarHBondContact O-N 3.34Å; A368-L372 VanDerWaalsContact O-CB 3.24Å; A368-L372 WeakPolarHBondContact O-CB 3.41Å; A368-L372 WeakPolarHBondContact O-CG 3.44Å; A368-L372 PolarHBondContact O-N 3.36Å; A368-T408 HydrophobicContact CB-CG2 4.25Å; A368-L412 HydrophobicContact CB-CD1 4.27Å; A368-L412 HydrophobicContact CB-CD2 4.02Å
369	Q	96.3	Very high	93.2	Very high	6 Å²	6	36 Å²	36	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-47.5	177.9	-76.2	-176.8	-6.9	0	0	112.2	S365 Y366 W367 I371 E373 H434 S437 M438	S365-Q369 WeakPolarHBondContact O-CB 3.32Å; S365-Q369 WeakPolarHBondContact O-CG 3.47Å; S365-Q369 PolarHBondContact O-N 3.3Å; S365-Q369 VanDerWaalsContact O-N 3.14Å; Y366-Q369 PolarHBondContact O-N 2.84Å; W367-Q369 VanDerWaalsContact C-N 3.32Å; W367-Q369 PolarHBondContact O-N 3.43Å; Q369-I371 PolarHBondContact O-N 3.19Å; Q369-E373 WeakPolarHBondContact O-CB 3.31Å; Q369-E373 PolarHBondContact O-N 3.41Å; Q369-H434 PolarHBondContact O-CE1 3.43Å; Q369-H434 VanDerWaalsContact O-CE1 3.27Å; Q369-S437 PolarHBondContact NE2-OG 2.75Å; Q369-M438 HydrophobicContact CB-SD 4.06Å; Q369-M438 HydrophobicContact CG-SD 4.06Å
370	T	96.8	Very high	92.4	Very high	15 Å²	15	37.3 Å²	37.3	9%	0.092	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-42.6	-178.1	-60.6	0	0	0	0	111.9	Y366 W367 L374 T398 I400	Y366-T370 WeakPolarHBondContact CE2-OG1 3.39Å; Y366-T370 WeakPolarHBondContact O-CB 3.48Å; Y366-T370 PolarHBondContact O-N 2.87Å; Y366-T370 PolarHBondContact O-OG1 2.68Å; Y366-T370 VanDerWaalsContact O-OG1 3.04Å; W367-T370 PolarHBondContact O-N 2.8Å; T370-L374 WeakPolarHBondContact O-CB 3.43Å; T370-L374 PolarHBondContact O-N 2.73Å; T370-T398 HydrophobicContact CG2-CG2 3.85Å; T370-I400 HydrophobicContact CG2-CD1 4.28Å
371	I	96.6	Very high	91.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-46	179.5	-67.1	169.2	0	0	0	110.6	W367 Q369 L374 L375 I394 I400 V405 T408 L409	W367-I371 WeakPolarHBondContact O-CB 3.48Å; W367-I371 VanDerWaalsContact O-CG1 3.3Å; W367-I371 WeakPolarHBondContact O-CG1 3.49Å; W367-I371 PolarHBondContact O-N 2.75Å; Q369-I371 PolarHBondContact O-N 3.19Å; I371-L374 PolarHBondContact O-N 2.77Å; I371-L375 HydrophobicContact CG2-CD1 3.92Å; I371-L375 HydrophobicContact CG2-CG 4.32Å; I371-L375 VanDerWaalsContact O-CG 3.29Å; I371-L375 WeakPolarHBondContact O-CG 3.48Å; I371-L375 PolarHBondContact O-N 3.02Å; I371-I394 HydrophobicContact CG1-CG2 4.1Å; I371-I394 HydrophobicContact CG2-CG2 4.38Å; I371-I400 HydrophobicContact CD1-CD1 4.48Å; I371-I400 HydrophobicContact CG1-CD1 4.29Å; I371-V405 HydrophobicContact CD1-CB 4.39Å; I371-V405 HydrophobicContact CD1-CG1 4.24Å; I371-V405 HydrophobicContact CD1-CG2 4.27Å; I371-T408 HydrophobicContact CD1-CG2 3.84Å; I371-L409 HydrophobicContact CG2-CD2 3.83Å
372	L	95.5	Very high	90.6	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-40.1	177.8	-69.6	172.6	0	0	0	112	A368 L374 L375 L376 L412 L426 L430 H434	A368-L372 VanDerWaalsContact O-CB 3.24Å; A368-L372 WeakPolarHBondContact O-CB 3.41Å; A368-L372 WeakPolarHBondContact O-CG 3.44Å; A368-L372 PolarHBondContact O-N 3.36Å; L372-L374 VanDerWaalsContact C-N 3.29Å; L372-L374 PolarHBondContact O-N 2.94Å; L372-L375 HydrophobicContact CD2-CD1 4.5Å; L372-L375 PolarHBondContact O-N 2.69Å; L372-L376 WeakPolarHBondContact O-CB 3.36Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.23Å; L372-L412 HydrophobicContact CD1-CD1 4.24Å; L372-L412 HydrophobicContact CD2-CD1 4.27Å; L372-L412 HydrophobicContact CG-CD1 4.13Å; L372-L426 HydrophobicContact CD2-CD1 4.36Å; L372-L426 HydrophobicContact CD2-CD2 3.69Å; L372-L430 HydrophobicContact CD1-CD1 4.32Å; L372-L430 HydrophobicContact CD1-CG 4.44Å; L372-L430 HydrophobicContact CD2-CD2 4.23Å; L372-H434 HydrophobicContact CD1-CB 4.07Å
373	E	94.8	Very high	89.6	Confident	52 Å²	52	49.3 Å²	49.3	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-40.8	174.6	-177.1	173.8	-138.8	0	0	110.7	Q369 N377 M438 R444	Q369-E373 WeakPolarHBondContact O-CB 3.31Å; Q369-E373 PolarHBondContact O-N 3.41Å; E373-N377 WeakPolarHBondContact O-CB 3.35Å; E373-N377 VanDerWaalsContact O-CG 3.27Å; E373-N377 PolarHBondContact O-N 2.92Å; E373-N377 VanDerWaalsContact O-N 3.17Å; E373-N377 PolarHBondContact O-ND2 2.98Å; E373-M438 HydrophobicContact CB-CE 4.39Å; E373-M438 HydrophobicContact CG-CE 4.15Å; E373-M438 WeakPolarHBondContact OE1-CE 3.38Å; E373-R444 IonicContact OE1-CZ 2.72Å; E373-R444 IonicContact OE1-NH1 2.79Å; E373-R444 PolarHBondContact OE1-NH1 3.39Å; E373-R444 IonicContact OE1-NH2 3.49Å; E373-R444 IonicContact OE2-CZ 3.77Å; E373-R444 IonicContact OE2-NH1 2.8Å; E373-R444 PolarHBondContact OE2-NH1 3.3Å; E373-R444 IonicContact OE2-NH2 3.34Å; E373-R444 PolarHBondContact OE2-NH2 2.9Å
374	L	94.4	Very high	88.5	Confident	30 Å²	30	53.4 Å²	53.4	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-48.8	175	175.5	62.8	0	0	0	112.2	T370 I371 L372 L376 N377 S378 L389 I394 R397 T398	T370-L374 WeakPolarHBondContact O-CB 3.43Å; T370-L374 PolarHBondContact O-N 2.73Å; I371-L374 PolarHBondContact O-N 2.77Å; L372-L374 VanDerWaalsContact C-N 3.29Å; L372-L374 PolarHBondContact O-N 2.94Å; L374-L376 VanDerWaalsContact C-N 3.33Å; L374-L376 PolarHBondContact O-N 2.77Å; L374-N377 PolarHBondContact O-N 3.29Å; L374-S378 PolarHBondContact O-N 3.03Å; L374-S378 PolarHBondContact O-OG 3.38Å; L374-L389 HydrophobicContact CG-CD1 4.3Å; L374-I394 HydrophobicContact CD2-CB 4.34Å; L374-I394 HydrophobicContact CD2-CG1 4.28Å; L374-I394 HydrophobicContact CD2-CG2 4.19Å; L374-R397 HydrophobicContact CD1-CB 4.23Å; L374-R397 HydrophobicContact CD2-CB 3.89Å; L374-T398 HydrophobicContact CD2-CG2 3.75Å
375	L	92.3	Very high	87.5	Confident	25 Å²	25	56 Å²	56	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-43.1	-179.1	-70.1	171.8	0	0	0	111.3	I371 L372 N377 S378 L389 I394 L409 I424 L426	I371-L375 HydrophobicContact CG2-CD1 3.92Å; I371-L375 HydrophobicContact CG2-CG 4.32Å; I371-L375 VanDerWaalsContact O-CG 3.29Å; I371-L375 WeakPolarHBondContact O-CG 3.48Å; I371-L375 PolarHBondContact O-N 3.02Å; L372-L375 HydrophobicContact CD2-CD1 4.5Å; L372-L375 PolarHBondContact O-N 2.69Å; L375-N377 PolarHBondContact O-N 2.88Å; L375-S378 WeakPolarHBondContact O-CB 3.49Å; L375-S378 PolarHBondContact O-N 3.49Å; L375-L389 HydrophobicContact CD2-CD1 3.93Å; L375-I394 HydrophobicContact CD2-CD1 4.12Å; L375-L409 HydrophobicContact CD1-CD2 4.3Å; L375-I424 HydrophobicContact CD1-CD1 4.43Å; L375-I424 HydrophobicContact CD1-CG2 4.05Å; L375-I424 HydrophobicContact CD2-CD1 4.1Å; L375-L426 HydrophobicContact CB-CD1 4.13Å; L375-L426 HydrophobicContact CD1-CD1 4.36Å; L375-L426 HydrophobicContact CD1-CD2 4.4Å
376	L	90.2	Very high	86.5	Confident	64 Å²	64	62.8 Å²	62.8	34%	0.335	36%	0.355	S	S	.	.	H	α-helix	trans	-72.3	-27.5	-178.5	-68.3	172.9	0	0	0	113.9	L372 L374 S378 L426 I431	L372-L376 WeakPolarHBondContact O-CB 3.36Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.23Å; L374-L376 VanDerWaalsContact C-N 3.33Å; L374-L376 PolarHBondContact O-N 2.77Å; L376-S378 VanDerWaalsContact C-N 3.35Å; L376-L426 HydrophobicContact CD2-CD1 4.08Å; L376-I431 HydrophobicContact CD1-CG2 4.21Å; L376-I431 HydrophobicContact CD2-CD1 3.98Å; L376-I431 HydrophobicContact CD2-CG1 3.94Å; L376-I431 HydrophobicContact CD2-CG2 4.04Å
377	N	89.9	Confident	85.5	Confident	117 Å²	117	65.8 Å²	65.8	63%	0.626	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-1.6	177.1	-70	-38.2	0	0	0	113.2	E373 L374 L375	E373-N377 WeakPolarHBondContact O-CB 3.35Å; E373-N377 VanDerWaalsContact O-CG 3.27Å; E373-N377 PolarHBondContact O-N 2.92Å; E373-N377 VanDerWaalsContact O-N 3.17Å; E373-N377 PolarHBondContact O-ND2 2.98Å; L374-N377 PolarHBondContact O-N 3.29Å; L375-N377 PolarHBondContact O-N 2.88Å
378	S	86.5	Confident	84.6	Confident	17 Å²	17	69.1 Å²	69.1	12%	0.119	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-77	128.7	-178.9	-68.8	0	0	0	0	111.1	L374 L375 L376 L389	L374-S378 PolarHBondContact O-N 3.03Å; L374-S378 PolarHBondContact O-OG 3.38Å; L375-S378 WeakPolarHBondContact O-CB 3.49Å; L375-S378 PolarHBondContact O-N 3.49Å; L376-S378 VanDerWaalsContact C-N 3.35Å; S378-L389 WeakPolarHBondContact OG-CD1 3.26Å
379	K	79.4	Confident	84.2	Confident	187 Å²	187	70.4 Å²	70.4	81%	0.813	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-96.2	150.1	177.7	-62.7	-176.6	-179.2	-178.9	0	109.7
380	A	75	Confident	83.9	Confident	35 Å²	35	72.6 Å²	72.6	29%	0.289	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-62.4	140	169.5	0	0	0	0	0	110.6	E382 Q385	A380-E382 VanDerWaalsContact C-N 3.28Å; A380-E382 WeakPolarHBondContact CB-O 3.44Å; A380-Q385 WeakPolarHBondContact CB-O 3.4Å
381	T	71.5	Confident	83.6	Confident	128 Å²	128	73.8 Å²	73.8	79%	0.785	43%	0.432	S	S	*	.	S	Bend	trans	-65.6	-35.9	176.4	-42.6	0	0	0	0	110.9
382	E	72.7	Confident	83.4	Confident	117 Å²	117	77.4 Å²	77.4	55%	0.547	45%	0.451	S	S	.	.	S	Bend	trans	-120.2	146.3	178.9	-64.7	-178.6	178.3	0	0	111.5	A380 G384 Q385	A380-E382 VanDerWaalsContact C-N 3.28Å; A380-E382 WeakPolarHBondContact CB-O 3.44Å; E382-G384 PolarHBondContact O-N 2.72Å; E382-G384 VanDerWaalsContact O-N 3.16Å; E382-Q385 HydrophobicContact CB-CG 4.31Å; E382-Q385 PolarHBondContact O-N 3.49Å; E382-Q385 PolarHBondContact OE2-NE2 2.81Å
383	T	71.5	Confident	83.3	Confident	155 Å²	155	79.7 Å²	79.7	95%	0.951	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	115.1	175.6	44.6	0	0	0	0	110.7
384	G	74.6	Confident	83.3	Confident	86 Å²	86	77.2 Å²	77.2	89%	0.887	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-3.5	178.3	0	0	0	0	0	115.5	E382	E382-G384 PolarHBondContact O-N 2.72Å; E382-G384 VanDerWaalsContact O-N 3.16Å
385	Q	73.9	Confident	83.4	Confident	104 Å²	104	76.3 Å²	76.3	49%	0.486	45%	0.448	S	S	.	.	S	Bend	trans	-92	158.8	170.9	-72.9	177.7	1.9	0	0	111.5	A380 E382	A380-Q385 WeakPolarHBondContact CB-O 3.4Å; E382-Q385 HydrophobicContact CB-CG 4.31Å; E382-Q385 PolarHBondContact O-N 3.49Å; E382-Q385 PolarHBondContact OE2-NE2 2.81Å
386	D	71.9	Confident	83.6	Confident	149 Å²	149	80.8 Å²	80.8	80%	0.797	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-75.4	146	166.9	-71.6	-39.4	0	0	0	110.1	A388	D386-A388 PolarHBondContact O-N 3.45Å; D386-A388 VanDerWaalsContact O-N 3.16Å
387	P	76.9	Confident	83.8	Confident	65 Å²	65	84.1 Å²	84.1	42%	0.422	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-62.3	117.9	175.2	24.9	-32	0	0	0	110.7
388	A	80.1	Confident	84.1	Confident	83 Å²	83	78.7 Å²	78.7	69%	0.686	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-100.2	120.1	172.7	0	0	0	0	0	109.8	D386	D386-A388 PolarHBondContact O-N 3.45Å; D386-A388 VanDerWaalsContact O-N 3.16Å
389	L	87	Confident	84.7	Confident	34 Å²	34	78.5 Å²	78.5	18%	0.178	45%	0.45	C	S	.	.			trans	-120.1	128.2	168.7	-75.5	178	0	0	0	109.2	L374 L375 S378 D393	L374-L389 HydrophobicContact CG-CD1 4.3Å; L375-L389 HydrophobicContact CD2-CD1 3.93Å; S378-L389 WeakPolarHBondContact OG-CD1 3.26Å; L389-D393 HydrophobicContact CD2-CB 3.81Å
390	S	89.6	Confident	85.6	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	41%	0.411	S	S	.	.			trans	-76.5	161.4	168	75.1	0	0	0	0	110.7	N392 D393 I394	S390-N392 PolarHBondContact O-N 2.9Å; S390-N392 PolarHBondContact OG-N 2.81Å; S390-D393 WeakPolarHBondContact CA-OD2 3.36Å; S390-D393 VanDerWaalsContact CB-OD2 3.26Å; S390-D393 WeakPolarHBondContact CB-OD2 3.39Å; S390-D393 PolarHBondContact N-OD2 2.84Å; S390-D393 WeakPolarHBondContact O-CB 3.46Å; S390-D393 PolarHBondContact O-N 2.79Å; S390-D393 VanDerWaalsContact O-N 3.11Å; S390-D393 PolarHBondContact OG-N 3.34Å; S390-D393 VanDerWaalsContact OG-N 3.1Å; S390-D393 PolarHBondContact OG-OD2 2.99Å; S390-I394 PolarHBondContact O-N 3.01Å
391	I	91.7	Very high	86.6	Confident	41 Å²	41	70 Å²	70	21%	0.21	41%	0.406	C	S	.	.	H	α-helix	trans	-58.1	-35.1	172.3	-64.7	171.4	0	0	0	110.7	I394 V395 R402 V405 I406	I391-I394 PolarHBondContact O-N 2.9Å; I391-V395 WeakPolarHBondContact O-CG2 3.45Å; I391-V395 PolarHBondContact O-N 2.81Å; I391-R402 HydrophobicContact CG2-CG 3.96Å; I391-V405 HydrophobicContact CG2-CG1 4.22Å; I391-I406 HydrophobicContact CD1-CD1 4.45Å; I391-I406 HydrophobicContact CD1-CG1 4.13Å; I391-I406 HydrophobicContact CG2-CG1 4.22Å
392	N	92.9	Very high	87.8	Confident	75 Å²	75	69.9 Å²	69.9	40%	0.401	39%	0.391	S	S	.	.	H	α-helix	trans	-66.7	-38.9	177.4	-66.2	-29	0	0	0	111.5	S390 I394 V395 D396 R402	S390-N392 PolarHBondContact O-N 2.9Å; S390-N392 PolarHBondContact OG-N 2.81Å; N392-I394 PolarHBondContact O-N 2.97Å; N392-V395 WeakPolarHBondContact O-CB 3.14Å; N392-V395 PolarHBondContact O-N 2.79Å; N392-V395 VanDerWaalsContact O-N 3.14Å; N392-D396 WeakPolarHBondContact O-CB 3.38Å; N392-D396 VanDerWaalsContact O-CG 3.23Å; N392-D396 PolarHBondContact O-N 2.88Å; N392-R402 PolarHBondContact OD1-NE 3.39Å; N392-R402 PolarHBondContact OD1-NH2 3.03Å
393	D	93.1	Very high	88.8	Confident	58 Å²	58	69.8 Å²	69.8	31%	0.31	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-36.5	174.6	-60.7	-58.1	0	0	0	111.9	L389 S390 R397	L389-D393 HydrophobicContact CD2-CB 3.81Å; S390-D393 WeakPolarHBondContact CA-OD2 3.36Å; S390-D393 VanDerWaalsContact CB-OD2 3.26Å; S390-D393 WeakPolarHBondContact CB-OD2 3.39Å; S390-D393 PolarHBondContact N-OD2 2.84Å; S390-D393 WeakPolarHBondContact O-CB 3.46Å; S390-D393 PolarHBondContact O-N 2.79Å; S390-D393 VanDerWaalsContact O-N 3.11Å; S390-D393 PolarHBondContact OG-N 3.34Å; S390-D393 VanDerWaalsContact OG-N 3.1Å; S390-D393 PolarHBondContact OG-OD2 2.99Å; D393-R397 WeakPolarHBondContact O-CB 3.23Å; D393-R397 VanDerWaalsContact O-CG 3.24Å; D393-R397 WeakPolarHBondContact O-CG 3.29Å; D393-R397 PolarHBondContact O-N 3.25Å; D393-R397 VanDerWaalsContact O-N 3.08Å
394	I	94.9	Very high	90	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.9	-46.1	175.4	-59.6	171.2	0	0	0	110.1	I371 L374 L375 S390 I391 N392 D396 R397 T398 V405 L409 I424	I371-I394 HydrophobicContact CG1-CG2 4.1Å; I371-I394 HydrophobicContact CG2-CG2 4.38Å; L374-I394 HydrophobicContact CD2-CB 4.34Å; L374-I394 HydrophobicContact CD2-CG1 4.28Å; L374-I394 HydrophobicContact CD2-CG2 4.19Å; L375-I394 HydrophobicContact CD2-CD1 4.12Å; S390-I394 PolarHBondContact O-N 3.01Å; I391-I394 PolarHBondContact O-N 2.9Å; N392-I394 PolarHBondContact O-N 2.97Å; I394-D396 PolarHBondContact O-N 2.92Å; I394-R397 PolarHBondContact O-N 2.92Å; I394-T398 HydrophobicContact CG2-CG2 4.18Å; I394-T398 VanDerWaalsContact O-CB 3.32Å; I394-T398 WeakPolarHBondContact O-CB 3.46Å; I394-T398 VanDerWaalsContact O-CG2 3.3Å; I394-T398 WeakPolarHBondContact O-CG2 3.49Å; I394-T398 PolarHBondContact O-N 2.86Å; I394-T398 PolarHBondContact O-OG1 3.4Å; I394-V405 HydrophobicContact CB-CG1 4.17Å; I394-V405 HydrophobicContact CD1-CG1 4.42Å; I394-V405 HydrophobicContact CG2-CG1 3.69Å; I394-V405 HydrophobicContact CG2-CG2 4.04Å; I394-L409 HydrophobicContact CD1-CD1 4.35Å; I394-I424 HydrophobicContact CD1-CD1 4.2Å
395	V	96.8	Very high	91.1	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-57.9	-48.7	176.7	169.2	0	0	0	0	110.8	I391 N392 R397 T398 C399 I400 R402 V405	I391-V395 WeakPolarHBondContact O-CG2 3.45Å; I391-V395 PolarHBondContact O-N 2.81Å; N392-V395 WeakPolarHBondContact O-CB 3.14Å; N392-V395 PolarHBondContact O-N 2.79Å; N392-V395 VanDerWaalsContact O-N 3.14Å; V395-R397 PolarHBondContact O-N 2.94Å; V395-T398 PolarHBondContact O-N 3.46Å; V395-C399 WeakPolarHBondContact O-CA 3.32Å; V395-C399 PolarHBondContact O-N 2.9Å; V395-I400 WeakPolarHBondContact CG1-O 3.45Å; V395-R402 HydrophobicContact CG2-CB 3.97Å; V395-R402 HydrophobicContact CG2-CG 4.48Å; V395-V405 HydrophobicContact CG2-CG2 4.04Å
396	D	95.5	Very high	92.1	Very high	118 Å²	118	56.4 Å²	56.4	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-67	-38.3	-175.6	-66.9	-17.5	0	0	0	112.1	N392 I394	N392-D396 WeakPolarHBondContact O-CB 3.38Å; N392-D396 VanDerWaalsContact O-CG 3.23Å; N392-D396 PolarHBondContact O-N 2.88Å; I394-D396 PolarHBondContact O-N 2.92Å
397	R	94.7	Very high	93.2	Very high	134 Å²	134	51.7 Å²	51.7	51%	0.506	28%	0.281	S	S	.	.	H	α-helix	trans	-80.6	-28.5	-179.5	-68	-179.9	-170.7	-170	7.2	114	L374 D393 I394 V395	L374-R397 HydrophobicContact CD1-CB 4.23Å; L374-R397 HydrophobicContact CD2-CB 3.89Å; D393-R397 WeakPolarHBondContact O-CB 3.23Å; D393-R397 VanDerWaalsContact O-CG 3.24Å; D393-R397 WeakPolarHBondContact O-CG 3.29Å; D393-R397 PolarHBondContact O-N 3.25Å; D393-R397 VanDerWaalsContact O-N 3.08Å; I394-R397 PolarHBondContact O-N 2.92Å; V395-R397 PolarHBondContact O-N 2.94Å
398	T	96.7	Very high	94.1	Very high	4 Å²	4	49 Å²	49	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-99.9	-18.5	-177.6	64.9	0	0	0	0	113.4	T370 L374 I394 V395 I400	T370-T398 HydrophobicContact CG2-CG2 3.85Å; L374-T398 HydrophobicContact CD2-CG2 3.75Å; I394-T398 HydrophobicContact CG2-CG2 4.18Å; I394-T398 VanDerWaalsContact O-CB 3.32Å; I394-T398 WeakPolarHBondContact O-CB 3.46Å; I394-T398 VanDerWaalsContact O-CG2 3.3Å; I394-T398 WeakPolarHBondContact O-CG2 3.49Å; I394-T398 PolarHBondContact O-N 2.86Å; I394-T398 PolarHBondContact O-OG1 3.4Å; V395-T398 PolarHBondContact O-N 3.46Å; T398-I400 HydrophobicContact CG2-CD1 4.38Å; T398-I400 PolarHBondContact O-N 3.42Å; T398-I400 WeakPolarHBondContact OG1-CB 3.42Å; T398-I400 WeakPolarHBondContact OG1-CG1 3.37Å; T398-I400 PolarHBondContact OG1-N 2.58Å
399	C	97.7	Very high	94.9	Very high	13 Å²	13	45 Å²	45	9%	0.088	23%	0.231	C	C	.	.			trans	54.7	25.7	-167.9	-59.8	0	0	0	0	113.4	Y339 K343 S348 G349 V395	Y339-C399 VanDerWaalsContact CE1-O 3.3Å; Y339-C399 WeakPolarHBondContact CE1-O 3.17Å; K343-C399 HydrophobicContact CG-CB 4.11Å; K343-C399 WeakPolarHBondContact CG-SG 3.43Å; S348-C399 CarbonylContact C-O 3.55Å; S348-C399 VanDerWaalsContact CA-O 3.26Å; S348-C399 WeakPolarHBondContact CA-O 3.35Å; G349-C399 PolarHBondContact N-O 3.26Å; V395-C399 WeakPolarHBondContact O-CA 3.32Å; V395-C399 PolarHBondContact O-N 2.9Å
400	I	98.1	Very high	95.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-87.8	135.5	171.2	-60.2	165.9	0	0	0	108	Y339 W367 T370 I371 V395 T398 D404 V405	Y339-I400 HydrophobicContact CD1-CG1 4.18Å; Y339-I400 HydrophobicContact CE1-CB 4.27Å; Y339-I400 HydrophobicContact CE1-CG1 3.69Å; W367-I400 HydrophobicContact CG-CD1 4.26Å; T370-I400 HydrophobicContact CG2-CD1 4.28Å; I371-I400 HydrophobicContact CD1-CD1 4.48Å; I371-I400 HydrophobicContact CG1-CD1 4.29Å; V395-I400 WeakPolarHBondContact CG1-O 3.45Å; T398-I400 HydrophobicContact CG2-CD1 4.38Å; T398-I400 PolarHBondContact O-N 3.42Å; T398-I400 WeakPolarHBondContact OG1-CB 3.42Å; T398-I400 WeakPolarHBondContact OG1-CG1 3.37Å; T398-I400 PolarHBondContact OG1-N 2.58Å; I400-D404 HydrophobicContact CG2-CB 3.75Å; I400-V405 HydrophobicContact CB-CG2 3.88Å; I400-V405 HydrophobicContact CG2-CG2 3.78Å
401	K	96.6	Very high	95.3	Very high	44 Å²	44	44.1 Å²	44.1	19%	0.191	22%	0.223	C	C	.	.			trans	-56.1	145.9	175.4	-77.3	-164.3	178.6	-173	0	111.6	E312 G349 D403 D404 V405	E312-K401 VanDerWaalsContact O-CE 3.28Å; E312-K401 WeakPolarHBondContact O-CE 3.45Å; E312-K401 PolarHBondContact O-NZ 3.04Å; G349-K401 PolarHBondContact O-N 2.94Å; K401-D403 VanDerWaalsContact C-N 3.27Å; K401-D403 PolarHBondContact O-N 2.81Å; K401-D404 PolarHBondContact O-N 2.97Å; K401-D404 VanDerWaalsContact O-N 3.07Å; K401-V405 PolarHBondContact O-N 2.88Å
402	R	96	Very high	95.4	Very high	124 Å²	124	42.5 Å²	42.5	47%	0.468	21%	0.214	S	C	.	.	H	α-helix	trans	-50.8	-45.1	-178.7	-175.5	-179.8	-67.2	103.7	0.6	112.9	I391 N392 V395 D404 V405 I406	I391-R402 HydrophobicContact CG2-CG 3.96Å; N392-R402 PolarHBondContact OD1-NE 3.39Å; N392-R402 PolarHBondContact OD1-NH2 3.03Å; V395-R402 HydrophobicContact CG2-CB 3.97Å; V395-R402 HydrophobicContact CG2-CG 4.48Å; R402-D404 VanDerWaalsContact C-N 3.33Å; R402-D404 PolarHBondContact O-N 3.46Å; R402-V405 WeakPolarHBondContact O-CB 3.31Å; R402-V405 PolarHBondContact O-N 3.08Å; R402-I406 HydrophobicContact CG-CD1 3.84Å; R402-I406 HydrophobicContact CG-CG1 4.43Å; R402-I406 WeakPolarHBondContact O-CG1 3.4Å; R402-I406 PolarHBondContact O-N 3.25Å
403	D	95.7	Very high	95.4	Very high	115 Å²	115	42.5 Å²	42.5	62%	0.615	21%	0.214	S	C	*	.	H	α-helix	trans	-64.1	-38.6	-177.5	-61	-21.6	0	0	0	111.9	K401 I406 A407	K401-D403 VanDerWaalsContact C-N 3.27Å; K401-D403 PolarHBondContact O-N 2.81Å; D403-I406 PolarHBondContact O-N 3.26Å; D403-A407 WeakPolarHBondContact O-CB 3.4Å; D403-A407 PolarHBondContact O-N 3.44Å
404	D	96.7	Very high	95.3	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-73.6	-32.6	178.3	-57.2	-45.2	0	0	0	111.2	S350 K353 W367 I400 K401 R402 T408	S350-D404 WeakPolarHBondContact CB-OD2 3.19Å; S350-D404 PolarHBondContact OG-OD2 3.32Å; K353-D404 IonicContact NZ-OD1 3.66Å; K353-D404 PolarHBondContact NZ-OD1 3.29Å; W367-D404 HydrophobicContact CD2-CB 4.42Å; W367-D404 HydrophobicContact CE3-CB 4.29Å; W367-D404 HydrophobicContact CH2-CB 3.73Å; W367-D404 HydrophobicContact CZ2-CB 3.86Å; W367-D404 HydrophobicContact CZ3-CB 3.96Å; I400-D404 HydrophobicContact CG2-CB 3.75Å; K401-D404 PolarHBondContact O-N 2.97Å; K401-D404 VanDerWaalsContact O-N 3.07Å; R402-D404 VanDerWaalsContact C-N 3.33Å; R402-D404 PolarHBondContact O-N 3.46Å; D404-T408 VanDerWaalsContact O-CB 3.26Å; D404-T408 WeakPolarHBondContact O-CB 3.42Å; D404-T408 PolarHBondContact O-N 3.15Å; D404-T408 PolarHBondContact O-OG1 2.92Å
405	V	97.1	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-50.6	170.4	173.3	0	0	0	0	110.5	I371 I391 I394 V395 I400 K401 R402 T408 L409	I371-V405 HydrophobicContact CD1-CB 4.39Å; I371-V405 HydrophobicContact CD1-CG1 4.24Å; I371-V405 HydrophobicContact CD1-CG2 4.27Å; I391-V405 HydrophobicContact CG2-CG1 4.22Å; I394-V405 HydrophobicContact CB-CG1 4.17Å; I394-V405 HydrophobicContact CD1-CG1 4.42Å; I394-V405 HydrophobicContact CG2-CG1 3.69Å; I394-V405 HydrophobicContact CG2-CG2 4.04Å; V395-V405 HydrophobicContact CG2-CG2 4.04Å; I400-V405 HydrophobicContact CB-CG2 3.88Å; I400-V405 HydrophobicContact CG2-CG2 3.78Å; K401-V405 PolarHBondContact O-N 2.88Å; R402-V405 WeakPolarHBondContact O-CB 3.31Å; R402-V405 PolarHBondContact O-N 3.08Å; V405-T408 PolarHBondContact O-N 3.43Å; V405-L409 HydrophobicContact CG1-CD1 3.96Å; V405-L409 HydrophobicContact CG1-CG 4.45Å; V405-L409 WeakPolarHBondContact O-CG 3.45Å; V405-L409 PolarHBondContact O-N 3.1Å
406	I	95.1	Very high	94.8	Very high	58 Å²	58	42.9 Å²	42.9	30%	0.297	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-47.3	179.3	-68	170.7	0	0	0	110.4	I391 R402 D403 T408 L409 S410	I391-I406 HydrophobicContact CD1-CD1 4.45Å; I391-I406 HydrophobicContact CD1-CG1 4.13Å; I391-I406 HydrophobicContact CG2-CG1 4.22Å; R402-I406 HydrophobicContact CG-CD1 3.84Å; R402-I406 HydrophobicContact CG-CG1 4.43Å; R402-I406 WeakPolarHBondContact O-CG1 3.4Å; R402-I406 PolarHBondContact O-N 3.25Å; D403-I406 PolarHBondContact O-N 3.26Å; I406-T408 VanDerWaalsContact C-N 3.27Å; I406-T408 PolarHBondContact O-N 3.3Å; I406-L409 PolarHBondContact O-N 3Å; I406-S410 VanDerWaalsContact O-CB 3.3Å; I406-S410 WeakPolarHBondContact O-CB 3.48Å; I406-S410 PolarHBondContact O-N 3.11Å
407	A	94.7	Very high	94.4	Very high	50 Å²	50	42.6 Å²	42.6	41%	0.413	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-38.9	177.7	0	0	0	0	0	111.5	D403 H411	D403-A407 WeakPolarHBondContact O-CB 3.4Å; D403-A407 PolarHBondContact O-N 3.44Å; A407-H411 VanDerWaalsContact O-CB 3.22Å; A407-H411 WeakPolarHBondContact O-CB 3.29Å; A407-H411 PolarHBondContact O-N 3.21Å
408	T	96.3	Very high	94.1	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-47.6	176.7	-57.8	0	0	0	0	111.5	W367 A368 I371 D404 V405 I406 S410 H411 L412	W367-T408 HydrophobicContact CB-CG2 4.04Å; A368-T408 HydrophobicContact CB-CG2 4.25Å; I371-T408 HydrophobicContact CD1-CG2 3.84Å; D404-T408 VanDerWaalsContact O-CB 3.26Å; D404-T408 WeakPolarHBondContact O-CB 3.42Å; D404-T408 PolarHBondContact O-N 3.15Å; D404-T408 PolarHBondContact O-OG1 2.92Å; V405-T408 PolarHBondContact O-N 3.43Å; I406-T408 VanDerWaalsContact C-N 3.27Å; I406-T408 PolarHBondContact O-N 3.3Å; T408-S410 VanDerWaalsContact C-N 3.31Å; T408-S410 PolarHBondContact O-N 2.9Å; T408-H411 PolarHBondContact O-N 2.9Å; T408-L412 HydrophobicContact CG2-CD1 4.04Å; T408-L412 HydrophobicContact CG2-CG 4.38Å; T408-L412 WeakPolarHBondContact O-CB 3.45Å; T408-L412 VanDerWaalsContact O-CG 3.24Å; T408-L412 WeakPolarHBondContact O-CG 3.31Å; T408-L412 PolarHBondContact O-N 3.26Å
409	L	95.6	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-37.6	178.2	-68.8	172	0	0	0	112.3	I371 L375 I394 V405 I406 N413 V414 L415 I424	I371-L409 HydrophobicContact CG2-CD2 3.83Å; L375-L409 HydrophobicContact CD1-CD2 4.3Å; I394-L409 HydrophobicContact CD1-CD1 4.35Å; V405-L409 HydrophobicContact CG1-CD1 3.96Å; V405-L409 HydrophobicContact CG1-CG 4.45Å; V405-L409 WeakPolarHBondContact O-CG 3.45Å; V405-L409 PolarHBondContact O-N 3.1Å; I406-L409 PolarHBondContact O-N 3Å; L409-N413 PolarHBondContact O-N 2.99Å; L409-V414 HydrophobicContact CB-CG2 4.2Å; L409-V414 HydrophobicContact CD2-CG2 3.67Å; L409-V414 WeakPolarHBondContact O-CG2 3.3Å; L409-V414 PolarHBondContact O-N 3.23Å; L409-L415 HydrophobicContact CB-CB 4.14Å; L409-L415 HydrophobicContact CB-CD2 4.5Å; L409-I424 HydrophobicContact CD1-CD1 3.96Å; L409-I424 HydrophobicContact CD2-CD1 4.1Å
410	S	93.1	Very high	93.1	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-47	173.5	176.9	0	0	0	0	111.1	I406 T408 L412 N413	I406-S410 VanDerWaalsContact O-CB 3.3Å; I406-S410 WeakPolarHBondContact O-CB 3.48Å; I406-S410 PolarHBondContact O-N 3.11Å; T408-S410 VanDerWaalsContact C-N 3.31Å; T408-S410 PolarHBondContact O-N 2.9Å; S410-L412 VanDerWaalsContact C-N 3.28Å; S410-L412 PolarHBondContact O-N 2.67Å; S410-N413 WeakPolarHBondContact O-CA 2.99Å; S410-N413 PolarHBondContact O-N 2.8Å; S410-N413 PolarHBondContact O-OD1 3.06Å
411	H	92.3	Very high	92.5	Very high	44 Å²	44	56.5 Å²	56.5	20%	0.204	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-33.2	177.3	-178.3	67.3	0	0	0	113.2	R364 A407 T408 N413	R364-H411 PolarHBondContact NH1-CE1 3.2Å; A407-H411 VanDerWaalsContact O-CB 3.22Å; A407-H411 WeakPolarHBondContact O-CB 3.29Å; A407-H411 PolarHBondContact O-N 3.21Å; T408-H411 PolarHBondContact O-N 2.9Å; H411-N413 PolarHBondContact O-N 2.91Å
412	L	93.3	Very high	91.9	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.037	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.2	173.4	-69.5	174.9	0	0	0	113.3	L147 A368 L372 T408 S410 V414	L147-L412 HydrophobicContact CD1-CD2 3.46Å; L147-L412 VanDerWaalsContact CD1-CD2 3.46Å; A368-L412 HydrophobicContact CB-CD1 4.27Å; A368-L412 HydrophobicContact CB-CD2 4.02Å; L372-L412 HydrophobicContact CD1-CD1 4.24Å; L372-L412 HydrophobicContact CD2-CD1 4.27Å; L372-L412 HydrophobicContact CG-CD1 4.13Å; T408-L412 HydrophobicContact CG2-CD1 4.04Å; T408-L412 HydrophobicContact CG2-CG 4.38Å; T408-L412 WeakPolarHBondContact O-CB 3.45Å; T408-L412 VanDerWaalsContact O-CG 3.24Å; T408-L412 WeakPolarHBondContact O-CG 3.31Å; T408-L412 PolarHBondContact O-N 3.26Å; S410-L412 VanDerWaalsContact C-N 3.28Å; S410-L412 PolarHBondContact O-N 2.67Å; L412-V414 HydrophobicContact CB-CG1 3.99Å; L412-V414 HydrophobicContact CB-CG2 3.96Å; L412-V414 PolarHBondContact O-N 2.72Å
413	N	93.1	Very high	91.5	Very high	74 Å²	74	56.7 Å²	56.7	40%	0.396	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	36.7	-173.8	-64.5	-45.7	0	0	0	113.5	L409 S410 H411 Y416	L409-N413 PolarHBondContact O-N 2.99Å; S410-N413 WeakPolarHBondContact O-CA 2.99Å; S410-N413 PolarHBondContact O-N 2.8Å; S410-N413 PolarHBondContact O-OD1 3.06Å; H411-N413 PolarHBondContact O-N 2.91Å; N413-Y416 PolarHBondContact O-OH 3.37Å
414	V	92.4	Very high	91.2	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.018	28%	0.279	C	S	.	.			trans	-106.5	-12	-179.3	-60.6	0	0	0	0	113.4	L409 L412 Y416 I424 Y425 L426 L430	L409-V414 HydrophobicContact CB-CG2 4.2Å; L409-V414 HydrophobicContact CD2-CG2 3.67Å; L409-V414 WeakPolarHBondContact O-CG2 3.3Å; L409-V414 PolarHBondContact O-N 3.23Å; L412-V414 HydrophobicContact CB-CG1 3.99Å; L412-V414 HydrophobicContact CB-CG2 3.96Å; L412-V414 PolarHBondContact O-N 2.72Å; V414-Y416 VanDerWaalsContact O-CD2 3.3Å; V414-Y416 WeakPolarHBondContact O-CD2 3.47Å; V414-I424 HydrophobicContact CB-CG2 4.1Å; V414-I424 HydrophobicContact CG2-CG2 4Å; V414-I424 CarbonylContact O-C 3.4Å; V414-I424 VanDerWaalsContact O-CA 3.25Å; V414-I424 WeakPolarHBondContact O-CA 3.49Å; V414-Y425 WeakPolarHBondContact CB-O 3.47Å; V414-Y425 WeakPolarHBondContact CG1-O 3.46Å; V414-Y425 PolarHBondContact O-N 2.59Å; V414-L426 HydrophobicContact CB-CD2 4.05Å; V414-L426 HydrophobicContact CG1-CD2 3.74Å; V414-L426 HydrophobicContact CG2-CD2 4.44Å; V414-L430 HydrophobicContact CG1-CD2 3.39Å
415	L	90.8	Very high	90.8	Very high	18 Å²	18	60.2 Å²	60.2	9%	0.094	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.1	-177.4	-172.3	65.1	0	0	0	111.2	L409 H422 I424	L409-L415 HydrophobicContact CB-CB 4.14Å; L409-L415 HydrophobicContact CB-CD2 4.5Å; L415-H422 HydrophobicContact CD1-CB 4.02Å; L415-I424 HydrophobicContact CD1-CG1 4.2Å
416	Y	89.3	Confident	90.4	Very high	56 Å²	56	62 Å²	62	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.7	179.5	-63.4	-93.4	0	0	0	110.8	N413 V414 H422 V423	N413-Y416 PolarHBondContact O-OH 3.37Å; V414-Y416 VanDerWaalsContact O-CD2 3.3Å; V414-Y416 WeakPolarHBondContact O-CD2 3.47Å; Y416-H422 CarbonylContact O-C 3.59Å; Y416-H422 VanDerWaalsContact O-CA 3.27Å; Y416-H422 WeakPolarHBondContact O-CA 3.4Å; Y416-V423 PolarHBondContact N-O 3.03Å; Y416-V423 PolarHBondContact O-N 2.74Å
417	Y	87.2	Confident	90.3	Very high	112 Å²	112	61.2 Å²	61.2	44%	0.439	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.8	172	-170.5	-107.1	0	0	0	109.3	G420 Q421 H422	Y417-G420 VanDerWaalsContact CE2-C 3.43Å; Y417-G420 WeakPolarHBondContact CE2-O 3.44Å; Y417-G420 VanDerWaalsContact CZ-CA 3.45Å; Y417-G420 VanDerWaalsContact OH-CA 3.29Å; Y417-G420 WeakPolarHBondContact OH-CA 3.49Å; Y417-G420 PolarHBondContact OH-O 3.44Å; Y417-Q421 CarbonylContact C-O 3.5Å; Y417-Q421 WeakPolarHBondContact CA-O 3.44Å; Y417-H422 AromaticContact CD2-CE1 3.62Å; Y417-H422 AromaticContact CD2-ND1 3.78Å; Y417-H422 AromaticContact CD2-NE2 3.92Å
418	V	87.8	Confident	90.1	Very high	63 Å²	63	68.9 Å²	68.9	38%	0.382	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.1	-175.1	-177.6	0	0	0	0	108.7	G420 Q421 V423	V418-G420 PolarHBondContact O-N 2.9Å; V418-G420 VanDerWaalsContact O-N 3.15Å; V418-Q421 PolarHBondContact N-O 2.81Å; V418-Q421 PolarHBondContact O-N 3.44Å; V418-V423 HydrophobicContact CB-CG2 4.32Å
419	K	88.6	Confident	90	Very high	193 Å²	193	74.1 Å²	74.1	84%	0.839	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	40.9	175.5	-62.2	-179.3	178.1	-177	0	114.1
420	G	85.9	Confident	89.8	Confident	46 Å²	46	75.4 Å²	75.4	47%	0.474	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-3.2	178.2	0	0	0	0	0	115.4	Y417 V418	Y417-G420 VanDerWaalsContact CE2-C 3.43Å; Y417-G420 WeakPolarHBondContact CE2-O 3.44Å; Y417-G420 VanDerWaalsContact CZ-CA 3.45Å; Y417-G420 VanDerWaalsContact OH-CA 3.29Å; Y417-G420 WeakPolarHBondContact OH-CA 3.49Å; Y417-G420 PolarHBondContact OH-O 3.44Å; V418-G420 PolarHBondContact O-N 2.9Å; V418-G420 VanDerWaalsContact O-N 3.15Å
421	Q	84.8	Confident	89.8	Confident	141 Å²	141	76.4 Å²	76.4	66%	0.659	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.6	-174.6	-63.9	-175.3	-14.9	0	0	112.1	Y417 V418	Y417-Q421 CarbonylContact C-O 3.5Å; Y417-Q421 WeakPolarHBondContact CA-O 3.44Å; V418-Q421 PolarHBondContact N-O 2.81Å; V418-Q421 PolarHBondContact O-N 3.44Å
422	H	84.8	Confident	89.9	Confident	105 Å²	105	79 Å²	79	49%	0.486	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	127.7	170.9	-71.4	-70.1	0	0	0	110.4	L415 Y416 Y417	L415-H422 HydrophobicContact CD1-CB 4.02Å; Y416-H422 CarbonylContact O-C 3.59Å; Y416-H422 VanDerWaalsContact O-CA 3.27Å; Y416-H422 WeakPolarHBondContact O-CA 3.4Å; Y417-H422 AromaticContact CD2-CE1 3.62Å; Y417-H422 AromaticContact CD2-ND1 3.78Å; Y417-H422 AromaticContact CD2-NE2 3.92Å
423	V	87.1	Confident	89.8	Confident	67 Å²	67	80.8 Å²	80.8	41%	0.406	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.4	179.2	-177.9	0	0	0	0	109	Y416 V418	Y416-V423 PolarHBondContact N-O 3.03Å; Y416-V423 PolarHBondContact O-N 2.74Å; V418-V423 HydrophobicContact CB-CG2 4.32Å
424	I	88.7	Confident	89.8	Confident	49 Å²	49	78 Å²	78	25%	0.251	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.4	174.3	-60.9	174.6	0	0	0	108.6	L375 I394 L409 V414 L415 L426	L375-I424 HydrophobicContact CD1-CD1 4.43Å; L375-I424 HydrophobicContact CD1-CG2 4.05Å; L375-I424 HydrophobicContact CD2-CD1 4.1Å; I394-I424 HydrophobicContact CD1-CD1 4.2Å; L409-I424 HydrophobicContact CD1-CD1 3.96Å; L409-I424 HydrophobicContact CD2-CD1 4.1Å; V414-I424 HydrophobicContact CB-CG2 4.1Å; V414-I424 HydrophobicContact CG2-CG2 4Å; V414-I424 CarbonylContact O-C 3.4Å; V414-I424 VanDerWaalsContact O-CA 3.25Å; V414-I424 WeakPolarHBondContact O-CA 3.49Å; L415-I424 HydrophobicContact CD1-CG1 4.2Å; I424-L426 HydrophobicContact CG2-CD2 3.95Å; I424-L426 HydrophobicContact CG2-CG 4.3Å
425	Y	88.3	Confident	89.9	Confident	147 Å²	147	82.8 Å²	82.8	58%	0.576	41%	0.405	S	S	*	.			trans	-110.2	119.6	175.8	179.1	-99.1	0	0	0	110.7	V414	V414-Y425 WeakPolarHBondContact CB-O 3.47Å; V414-Y425 WeakPolarHBondContact CG1-O 3.46Å; V414-Y425 PolarHBondContact O-N 2.59Å
426	L	90.1	Very high	90	Very high	38 Å²	38	87.9 Å²	87.9	20%	0.199	43%	0.426	C	S	.	.			trans	-105.4	111.7	176.7	-56	-177.4	0	0	0	109.6	L372 L375 L376 V414 I424 L430 I431	L372-L426 HydrophobicContact CD2-CD1 4.36Å; L372-L426 HydrophobicContact CD2-CD2 3.69Å; L375-L426 HydrophobicContact CB-CD1 4.13Å; L375-L426 HydrophobicContact CD1-CD1 4.36Å; L375-L426 HydrophobicContact CD1-CD2 4.4Å; L376-L426 HydrophobicContact CD2-CD1 4.08Å; V414-L426 HydrophobicContact CB-CD2 4.05Å; V414-L426 HydrophobicContact CG1-CD2 3.74Å; V414-L426 HydrophobicContact CG2-CD2 4.44Å; I424-L426 HydrophobicContact CG2-CD2 3.95Å; I424-L426 HydrophobicContact CG2-CG 4.3Å; L426-L430 HydrophobicContact CD2-CD2 4.08Å; L426-I431 HydrophobicContact CB-CD1 4.11Å; L426-I431 HydrophobicContact CB-CG1 4.11Å
427	S	91.5	Very high	90.1	Very high	42 Å²	42	86.5 Å²	86.5	29%	0.294	43%	0.425	S	S	.	.			trans	-67.7	152.1	174.5	71.7	0	0	0	0	111	D429 L430 I431	S427-D429 PolarHBondContact O-N 2.88Å; S427-L430 PolarHBondContact O-N 3.24Å; S427-L430 VanDerWaalsContact O-N 3.16Å; S427-L430 WeakPolarHBondContact OG-CB 3.46Å; S427-L430 PolarHBondContact OG-N 2.73Å; S427-I431 WeakPolarHBondContact O-CG1 3.25Å; S427-I431 PolarHBondContact O-N 3.26Å; S427-I431 VanDerWaalsContact O-N 3.11Å
428	R	91.1	Very high	90.3	Very high	210 Å²	210	82.8 Å²	82.8	79%	0.792	41%	0.412	S	S	*	.	H	α-helix	trans	-56.9	-37.1	176.1	-72.4	-172.7	175	-169.1	-0.5	112.1	I431 Q432	R428-I431 PolarHBondContact O-N 2.9Å; R428-Q432 WeakPolarHBondContact O-CG 3.35Å; R428-Q432 PolarHBondContact O-N 3.34Å
429	D	93.6	Very high	90.4	Very high	119 Å²	119	87.2 Å²	87.2	64%	0.636	43%	0.428	S	S	*	.	H	α-helix	trans	-65.2	-42.4	179	-62.2	-23.9	0	0	0	111.8	S427 I431 Q432 A433	S427-D429 PolarHBondContact O-N 2.88Å; D429-I431 VanDerWaalsContact C-N 3.34Å; D429-I431 PolarHBondContact O-N 2.89Å; D429-Q432 PolarHBondContact O-N 2.83Å; D429-A433 VanDerWaalsContact O-CB 3.3Å; D429-A433 WeakPolarHBondContact O-CB 3.38Å; D429-A433 PolarHBondContact O-N 3.12Å
430	L	92.2	Very high	90.5	Very high	27 Å²	27	84.3 Å²	84.3	14%	0.141	41%	0.412	C	S	.	.	H	α-helix	trans	-63.1	-41.6	176.2	-178.9	63	0	0	0	111.2	L372 V414 L426 S427 A433 H434	L372-L430 HydrophobicContact CD1-CD1 4.32Å; L372-L430 HydrophobicContact CD1-CG 4.44Å; L372-L430 HydrophobicContact CD2-CD2 4.23Å; V414-L430 HydrophobicContact CG1-CD2 3.39Å; L426-L430 HydrophobicContact CD2-CD2 4.08Å; S427-L430 PolarHBondContact O-N 3.24Å; S427-L430 VanDerWaalsContact O-N 3.16Å; S427-L430 WeakPolarHBondContact OG-CB 3.46Å; S427-L430 PolarHBondContact OG-N 2.73Å; L430-A433 PolarHBondContact O-N 3.42Å; L430-H434 VanDerWaalsContact O-CB 3.31Å; L430-H434 WeakPolarHBondContact O-CB 3.15Å; L430-H434 PolarHBondContact O-N 3.49Å
431	I	92.6	Very high	90.7	Very high	44 Å²	44	83.4 Å²	83.4	23%	0.226	39%	0.394	C	S	.	.	H	α-helix	trans	-62.6	-47.3	177.4	-61.7	175.2	0	0	0	110.6	L376 L426 S427 R428 D429 H434 Q435	L376-I431 HydrophobicContact CD1-CG2 4.21Å; L376-I431 HydrophobicContact CD2-CD1 3.98Å; L376-I431 HydrophobicContact CD2-CG1 3.94Å; L376-I431 HydrophobicContact CD2-CG2 4.04Å; L426-I431 HydrophobicContact CB-CD1 4.11Å; L426-I431 HydrophobicContact CB-CG1 4.11Å; S427-I431 WeakPolarHBondContact O-CG1 3.25Å; S427-I431 PolarHBondContact O-N 3.26Å; S427-I431 VanDerWaalsContact O-N 3.11Å; R428-I431 PolarHBondContact O-N 2.9Å; D429-I431 VanDerWaalsContact C-N 3.34Å; D429-I431 PolarHBondContact O-N 2.89Å; I431-H434 PolarHBondContact O-N 3.25Å; I431-Q435 VanDerWaalsContact O-CG 3.31Å; I431-Q435 WeakPolarHBondContact O-CG 3.4Å; I431-Q435 PolarHBondContact O-N 3.49Å
432	Q	94.3	Very high	90.9	Very high	97 Å²	97	83.6 Å²	83.6	45%	0.453	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-41.5	178.1	-71.1	179	18	0	0	112.2	R428 D429 Q435 K436	R428-Q432 WeakPolarHBondContact O-CG 3.35Å; R428-Q432 PolarHBondContact O-N 3.34Å; D429-Q432 PolarHBondContact O-N 2.83Å; Q432-Q435 PolarHBondContact O-N 2.73Å; Q432-K436 WeakPolarHBondContact O-CG 3.43Å; Q432-K436 PolarHBondContact O-N 2.93Å
433	A	92.5	Very high	91.3	Very high	46 Å²	46	80.4 Å²	80.4	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-43.9	175.8	0	0	0	0	0	111.2	D429 L430 K436 S437	D429-A433 VanDerWaalsContact O-CB 3.3Å; D429-A433 WeakPolarHBondContact O-CB 3.38Å; D429-A433 PolarHBondContact O-N 3.12Å; L430-A433 PolarHBondContact O-N 3.42Å; A433-K436 PolarHBondContact O-N 3.37Å; A433-S437 WeakPolarHBondContact O-CB 3.18Å; A433-S437 PolarHBondContact O-N 3.31Å
434	H	93.1	Very high	91.8	Very high	16 Å²	16	80.6 Å²	80.6	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-47.1	174.8	175.6	72.4	0	0	0	111.7	Q369 L372 L430 I431 K436 S437 M438	Q369-H434 PolarHBondContact O-CE1 3.43Å; Q369-H434 VanDerWaalsContact O-CE1 3.27Å; L372-H434 HydrophobicContact CD1-CB 4.07Å; L430-H434 VanDerWaalsContact O-CB 3.31Å; L430-H434 WeakPolarHBondContact O-CB 3.15Å; L430-H434 PolarHBondContact O-N 3.49Å; I431-H434 PolarHBondContact O-N 3.25Å; H434-K436 PolarHBondContact O-N 3.03Å; H434-S437 WeakPolarHBondContact O-CB 3.37Å; H434-S437 PolarHBondContact O-N 2.72Å; H434-S437 VanDerWaalsContact O-N 3.15Å; H434-M438 VanDerWaalsContact CE1-CG 3.46Å; H434-M438 WeakPolarHBondContact CE1-CG 3.49Å; H434-M438 WeakPolarHBondContact NE2-CG 3.32Å; H434-M438 WeakPolarHBondContact O-CB 3.36Å; H434-M438 WeakPolarHBondContact O-CG 3.15Å; H434-M438 PolarHBondContact O-N 3.25Å
435	Q	93.3	Very high	92.2	Very high	103 Å²	103	79 Å²	79	48%	0.481	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-45.6	177.1	-74.2	173.3	-13.2	0	0	112.2	I431 Q432 S437 M438 Q439	I431-Q435 VanDerWaalsContact O-CG 3.31Å; I431-Q435 WeakPolarHBondContact O-CG 3.4Å; I431-Q435 PolarHBondContact O-N 3.49Å; Q432-Q435 PolarHBondContact O-N 2.73Å; Q435-S437 VanDerWaalsContact C-N 3.33Å; Q435-S437 PolarHBondContact O-N 2.97Å; Q435-M438 PolarHBondContact O-N 3.01Å; Q435-Q439 WeakPolarHBondContact O-CG 3.22Å; Q435-Q439 PolarHBondContact O-N 3.39Å
436	K	93.3	Very high	92.6	Very high	125 Å²	125	74.7 Å²	74.7	54%	0.543	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-41.4	174.7	-72.3	174.2	-176.9	174.8	0	112	Q432 A433 H434 Q439 R440	Q432-K436 WeakPolarHBondContact O-CG 3.43Å; Q432-K436 PolarHBondContact O-N 2.93Å; A433-K436 PolarHBondContact O-N 3.37Å; H434-K436 PolarHBondContact O-N 3.03Å; K436-Q439 PolarHBondContact O-N 3.32Å; K436-R440 PolarHBondContact O-N 2.96Å
437	S	91.1	Very high	92.8	Very high	26 Å²	26	75.3 Å²	75.3	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-64.1	-40.7	176.9	-169.4	0	0	0	0	111.8	Q369 A433 H434 Q435 R440	Q369-S437 PolarHBondContact NE2-OG 2.75Å; A433-S437 WeakPolarHBondContact O-CB 3.18Å; A433-S437 PolarHBondContact O-N 3.31Å; H434-S437 WeakPolarHBondContact O-CB 3.37Å; H434-S437 PolarHBondContact O-N 2.72Å; H434-S437 VanDerWaalsContact O-N 3.15Å; Q435-S437 VanDerWaalsContact C-N 3.33Å; Q435-S437 PolarHBondContact O-N 2.97Å; S437-R440 PolarHBondContact O-N 3.28Å
438	M	91.4	Very high	93	Very high	35 Å²	35	82.5 Å²	82.5	17%	0.172	40%	0.395	C	S	.	.	H	α-helix	trans	-68.8	-35.7	178.2	-72.5	-64.1	-78.3	0	0	112.7	Q369 E373 H434 Q435 R440 R441 R444	Q369-M438 HydrophobicContact CB-SD 4.06Å; Q369-M438 HydrophobicContact CG-SD 4.06Å; E373-M438 HydrophobicContact CB-CE 4.39Å; E373-M438 HydrophobicContact CG-CE 4.15Å; E373-M438 WeakPolarHBondContact OE1-CE 3.38Å; H434-M438 VanDerWaalsContact CE1-CG 3.46Å; H434-M438 WeakPolarHBondContact CE1-CG 3.49Å; H434-M438 WeakPolarHBondContact NE2-CG 3.32Å; H434-M438 WeakPolarHBondContact O-CB 3.36Å; H434-M438 WeakPolarHBondContact O-CG 3.15Å; H434-M438 PolarHBondContact O-N 3.25Å; Q435-M438 PolarHBondContact O-N 3.01Å; M438-R440 PolarHBondContact O-N 3.26Å; M438-R441 WeakPolarHBondContact O-CB 3.46Å; M438-R441 PolarHBondContact O-N 3.33Å; M438-R444 VanDerWaalsContact CE-NH1 3.28Å
439	Q	91.2	Very high	93.3	Very high	155 Å²	155	76.1 Å²	76.1	72%	0.724	38%	0.377	S	S	*	.	H	α-helix	trans	-62	-26.7	174.4	-73.5	170	2.3	0	0	113.3	Q435 K436	Q435-Q439 WeakPolarHBondContact O-CG 3.22Å; Q435-Q439 PolarHBondContact O-N 3.39Å; K436-Q439 PolarHBondContact O-N 3.32Å
440	R	88.8	Confident	93.5	Very high	132 Å²	132	71.2 Å²	71.2	50%	0.498	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13	175.8	-63.2	175.7	-175.7	178.8	-3.2	112.8	F149 K436 S437 M438 N442	F149-R440 PolarHBondContact O-NH1 3.07Å; K436-R440 PolarHBondContact O-N 2.96Å; S437-R440 PolarHBondContact O-N 3.28Å; M438-R440 PolarHBondContact O-N 3.26Å; R440-N442 PolarHBondContact O-N 3.27Å; R440-N442 VanDerWaalsContact O-N 3.09Å
441	R	91.2	Very high	93.6	Very high	28 Å²	28	76 Å²	76	11%	0.106	38%	0.376	C	S	.	.			trans	-83.4	88	-175.2	-173.3	169.6	176.8	-169.2	-9.4	111.2	E336 M438 R444	E336-R441 IonicContact OE1-NH2 2.8Å; E336-R441 PolarHBondContact OE1-NH2 3.02Å; E336-R441 VanDerWaalsContact OE1-NH2 3.1Å; E336-R441 IonicContact OE2-CZ 3.46Å; E336-R441 IonicContact OE2-NH2 3.26Å; E336-R441 PolarHBondContact OE2-NH2 3.41Å; M438-R441 WeakPolarHBondContact O-CB 3.46Å; M438-R441 PolarHBondContact O-N 3.33Å; R441-R444 HydrophobicContact CG-CG 4.48Å
442	N	88.2	Confident	93.6	Very high	144 Å²	144	75 Å²	75	77%	0.77	37%	0.369	S	S	*	.			trans	-80.7	-26.4	-179	-62.3	-27.3	0	0	0	113.8	R440	R440-N442 PolarHBondContact O-N 3.27Å; R440-N442 VanDerWaalsContact O-N 3.09Å
443	L	94.4	Very high	93.4	Very high	38 Å²	38	78.3 Å²	78.3	20%	0.199	38%	0.382	C	S	.	.			trans	-96.9	113	179.1	-62.4	179.3	0	0	0	110.2	H248 K328 Y330 Y333	H248-L443 VanDerWaalsContact CE1-CD2 3.43Å; H248-L443 WeakPolarHBondContact CE1-CD2 3.48Å; K328-L443 VanDerWaalsContact O-CD1 3.28Å; K328-L443 WeakPolarHBondContact O-CD1 3.48Å; Y330-L443 HydrophobicContact CD1-CD1 3.68Å; Y330-L443 HydrophobicContact CE1-CD1 3.63Å; Y330-L443 HydrophobicContact CG-CD1 4.49Å; Y333-L443 HydrophobicContact CD2-CB 4.2Å; Y333-L443 HydrophobicContact CG-CB 4.27Å
444	R	96.2	Very high	93.1	Very high	72 Å²	72	79.2 Å²	79.2	27%	0.272	39%	0.386	S	S	.	.			trans	-132.7	133.8	173.5	-64.2	-62.9	-63.9	-97	13.8	109.9	K245 E336 E373 M438 R441	K245-R444 PolarHBondContact NZ-O 3.13Å; K245-R444 VanDerWaalsContact NZ-O 3.12Å; E336-R444 IonicContact OE1-CZ 3.56Å; E336-R444 IonicContact OE1-NE 3.96Å; E336-R444 PolarHBondContact OE1-NE 3.41Å; E336-R444 IonicContact OE1-NH2 2.88Å; E336-R444 PolarHBondContact OE1-NH2 2.84Å; E336-R444 VanDerWaalsContact OE1-NH2 3.15Å; E336-R444 WeakPolarHBondContact OE2-CA 3.2Å; E336-R444 IonicContact OE2-NE 3.35Å; E373-R444 IonicContact OE1-CZ 2.72Å; E373-R444 IonicContact OE1-NH1 2.79Å; E373-R444 PolarHBondContact OE1-NH1 3.39Å; E373-R444 IonicContact OE1-NH2 3.49Å; E373-R444 IonicContact OE2-CZ 3.77Å; E373-R444 IonicContact OE2-NH1 2.8Å; E373-R444 PolarHBondContact OE2-NH1 3.3Å; E373-R444 IonicContact OE2-NH2 3.34Å; E373-R444 PolarHBondContact OE2-NH2 2.9Å; M438-R444 VanDerWaalsContact CE-NH1 3.28Å; R441-R444 HydrophobicContact CG-CG 4.48Å
445	V	97.4	Very high	92.8	Very high	14 Å²	14	82.1 Å²	82.1	9%	0.085	40%	0.396	C	S	.	.			trans	-67.4	137.5	171.5	-177.2	0	0	0	0	108.3	Y243 Y333 E336 F337 E340	Y243-V445 HydrophobicContact CD2-CG1 4.47Å; Y243-V445 HydrophobicContact CE2-CG1 3.91Å; Y333-V445 HydrophobicContact CD2-CG2 3.58Å; Y333-V445 HydrophobicContact CE2-CB 4.23Å; Y333-V445 HydrophobicContact CE2-CG2 3.42Å; Y333-V445 VanDerWaalsContact CE2-CG2 3.42Å; E336-V445 HydrophobicContact CB-CG2 3.94Å; E336-V445 HydrophobicContact CG-CB 4.03Å; E336-V445 HydrophobicContact CG-CG2 3.87Å; E336-V445 PolarHBondContact OE2-N 2.9Å; F337-V445 HydrophobicContact CB-CG2 4Å; F337-V445 HydrophobicContact CD2-CG1 4.01Å; F337-V445 HydrophobicContact CD2-CG2 4.21Å; E340-V445 HydrophobicContact CB-CG1 4.5Å; E340-V445 HydrophobicContact CG-CB 4.21Å; E340-V445 HydrophobicContact CG-CG1 3.83Å
446	D	97	Very high	92.3	Very high	57 Å²	57	80.5 Å²	80.5	31%	0.305	39%	0.391	S	S	.	.			trans	-106.1	101.9	172.8	-175.8	-14.3	0	0	0	108.2	Y243 K245 K448 L449	Y243-D446 WeakPolarHBondContact CE2-O 3.2Å; Y243-D446 PolarHBondContact OH-N 3.38Å; K245-D446 HydrophobicContact CD-CB 4.49Å; D446-K448 PolarHBondContact O-N 3.13Å; D446-K448 WeakPolarHBondContact OD1-CB 3.43Å; D446-K448 PolarHBondContact OD1-N 3.4Å; D446-L449 HydrophobicContact CB-CD1 4Å; D446-L449 HydrophobicContact CB-CG 4.12Å; D446-L449 PolarHBondContact O-N 3.3Å
447	A	95	Very high	91.8	Very high	51 Å²	51	76.3 Å²	76.3	42%	0.421	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-54.4	-25.3	-176.8	0	0	0	0	0	113.3	E340 L449 L450	E340-A447 WeakPolarHBondContact OE2-CB 3.4Å; A447-L449 VanDerWaalsContact C-N 3.26Å; A447-L449 PolarHBondContact O-N 3.22Å; A447-L450 WeakPolarHBondContact O-CB 3.39Å; A447-L450 PolarHBondContact O-N 2.82Å
448	K	96	Very high	91	Very high	193 Å²	193	78.9 Å²	78.9	84%	0.839	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-70.6	-22.3	178.6	-60	176.9	-178.5	175.9	0	113.2	D446	D446-K448 PolarHBondContact O-N 3.13Å; D446-K448 WeakPolarHBondContact OD1-CB 3.43Å; D446-K448 PolarHBondContact OD1-N 3.4Å
449	L	97	Very high	90	Very high	76 Å²	76	83.8 Å²	83.8	40%	0.398	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-91.8	-2.4	178.5	-58.5	178.8	0	0	0	112.6	Y243 K245 D446 A447 N451	Y243-L449 HydrophobicContact CD2-CB 4.03Å; Y243-L449 HydrophobicContact CE2-CB 3.74Å; K245-L449 HydrophobicContact CB-CD1 3.82Å; K245-L449 HydrophobicContact CD-CD1 4.25Å; K245-L449 HydrophobicContact CG-CD1 4.08Å; D446-L449 HydrophobicContact CB-CD1 4Å; D446-L449 HydrophobicContact CB-CG 4.12Å; D446-L449 PolarHBondContact O-N 3.3Å; A447-L449 VanDerWaalsContact C-N 3.26Å; A447-L449 PolarHBondContact O-N 3.22Å; L449-N451 PolarHBondContact O-N 3.02Å
450	L	96.4	Very high	88.3	Confident	17 Å²	17	87.2 Å²	87.2	9%	0.089	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-82.9	102	177.8	-177.3	54.5	0	0	0	110	V242 Y243 F337 E340 L341 I344 A447 W452	V242-L450 HydrophobicContact CB-CD1 4.47Å; V242-L450 CarbonylContact O-C 3.55Å; V242-L450 WeakPolarHBondContact O-CD1 3.41Å; Y243-L450 HydrophobicContact CD2-CB 4.28Å; F337-L450 HydrophobicContact CE1-CD1 4.43Å; F337-L450 HydrophobicContact CE2-CD1 3.81Å; F337-L450 HydrophobicContact CZ-CD1 3.5Å; F337-L450 VanDerWaalsContact CZ-CD1 3.5Å; E340-L450 HydrophobicContact CB-CD2 3.97Å; L341-L450 HydrophobicContact CD2-CD1 4.33Å; L341-L450 HydrophobicContact CD2-CD2 4.14Å; I344-L450 HydrophobicContact CD1-CD2 3.45Å; I344-L450 VanDerWaalsContact CD1-CD2 3.45Å; I344-L450 HydrophobicContact CD1-CG 3.92Å; A447-L450 WeakPolarHBondContact O-CB 3.39Å; A447-L450 PolarHBondContact O-N 2.82Å; L450-W452 HydrophobicContact CD1-CB 3.76Å; L450-W452 HydrophobicContact CG-CB 3.89Å; L450-W452 PolarHBondContact O-N 2.95Å
451	N	94.7	Very high	86.7	Confident	127 Å²	127	84.5 Å²	84.5	68%	0.679	43%	0.429	S	S	*	.			trans	-90.3	78	173.1	-175.7	18.9	0	0	0	109.7	V242 L449	V242-N451 PolarHBondContact O-N 2.91Å; L449-N451 PolarHBondContact O-N 3.02Å
452	W	93.8	Very high	84.5	Confident	23 Å²	23	93.7 Å²	93.7	9%	0.087	46%	0.463	C	S	.	.			trans	-138.3	147.4	-175.9	-171.9	84.1	0	0	0	111.8	E252 L341 I344 E345 L450	E252-W452 PolarHBondContact OE2-NE1 3.47Å; L341-W452 HydrophobicContact CD2-CB 4.37Å; L341-W452 HydrophobicContact CD2-CD2 3.62Å; L341-W452 HydrophobicContact CD2-CE3 3.96Å; L341-W452 HydrophobicContact CD2-CG 3.8Å; L341-W452 HydrophobicContact CD2-CZ2 4.48Å; I344-W452 HydrophobicContact CB-CE3 3.93Å; I344-W452 HydrophobicContact CB-CZ3 3.88Å; I344-W452 HydrophobicContact CD1-CE3 4.08Å; I344-W452 HydrophobicContact CG2-CE3 3.64Å; I344-W452 HydrophobicContact CG2-CZ3 3.68Å; E345-W452 HydrophobicContact CG-CH2 3.47Å; E345-W452 VanDerWaalsContact CG-CH2 3.47Å; E345-W452 HydrophobicContact CG-CZ3 3.8Å; E345-W452 WeakPolarHBondContact OE1-CH2 3.39Å; L450-W452 HydrophobicContact CD1-CB 3.76Å; L450-W452 HydrophobicContact CG-CB 3.89Å; L450-W452 PolarHBondContact O-N 2.95Å
453	K	89.4	Confident	82.6	Confident	167 Å²	167	94.9 Å²	94.9	73%	0.726	46%	0.457	S	S	*	.			trans	-134.6	135.1	175.3	-67.3	-176	-179.8	-179.1	0	109.5
454	S	86.4	Confident	82.1	Confident	65 Å²	65	97.7 Å²	97.7	46%	0.455	47%	0.47	S	S	.	.			trans	-60.4	139.4	173.9	-176.3	0	0	0	0	111.1
455	R	87.2	Confident	81.3	Confident	77 Å²	77	99.1 Å²	99.1	29%	0.291	48%	0.481	S	S	.	.			trans	-116.3	136.3	179.5	-62	-171.3	-170.1	140.1	17	109.5	E252 W457	E252-R455 IonicContact OE1-CZ 3.72Å; E252-R455 VanDerWaalsContact OE1-CZ 3.27Å; E252-R455 IonicContact OE1-NH1 2.68Å; E252-R455 PolarHBondContact OE1-NH1 3.33Å; E252-R455 IonicContact OE1-NH2 3.22Å; E252-R455 PolarHBondContact OE1-NH2 3.24Å; R455-W457 HydrophobicContact CB-CZ2 4.24Å; R455-W457 VanDerWaalsContact O-CD1 3.32Å; R455-W457 PolarHBondContact O-N 3.47Å
456	D	82.5	Confident	80.4	Confident	68 Å²	68	103.8 Å²	103.8	36%	0.364	50%	0.503	S	S	.	.			trans	-86.3	98.2	173.9	-178.7	3.8	0	0	0	109.5	S458 K459	D456-S458 VanDerWaalsContact C-N 3.29Å; D456-S458 PolarHBondContact O-N 2.91Å; D456-S458 WeakPolarHBondContact OD1-CB 3.49Å; D456-S458 PolarHBondContact OD1-N 3.3Å; D456-S458 PolarHBondContact OD1-OG 2.8Å; D456-K459 VanDerWaalsContact OD2-CD 3.29Å; D456-K459 WeakPolarHBondContact OD2-CD 3.4Å; D456-K459 WeakPolarHBondContact OD2-CE 3.46Å; D456-K459 IonicContact OD2-NZ 2.73Å; D456-K459 PolarHBondContact OD2-NZ 2.81Å
457	W	82.8	Confident	79.4	Confident	38 Å²	38	106.5 Å²	106.5	14%	0.144	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.6	-177.5	-64.1	102.9	0	0	0	113.6	L286 K308 E309 R455 K459	L286-W457 HydrophobicContact CD1-CZ2 3.74Å; L286-W457 HydrophobicContact CD2-CH2 3.89Å; L286-W457 HydrophobicContact CD2-CZ2 3.74Å; L286-W457 HydrophobicContact CG-CZ2 4.11Å; K308-W457 HydrophobicContact CB-CB 4.29Å; K308-W457 HydrophobicContact CB-CD2 3.83Å; K308-W457 HydrophobicContact CB-CE3 4.36Å; K308-W457 HydrophobicContact CB-CG 3.76Å; K308-W457 HydrophobicContact CD-CD2 4.02Å; K308-W457 HydrophobicContact CD-CE3 3.74Å; K308-W457 HydrophobicContact CD-CH2 4.17Å; K308-W457 HydrophobicContact CD-CZ2 4.44Å; K308-W457 HydrophobicContact CD-CZ3 3.81Å; K308-W457 HydrophobicContact CG-CD2 3.83Å; K308-W457 HydrophobicContact CG-CE3 4.09Å; K308-W457 HydrophobicContact CG-CG 4.3Å; K308-W457 HydrophobicContact CG-CH2 4.34Å; K308-W457 HydrophobicContact CG-CZ2 4.11Å; K308-W457 HydrophobicContact CG-CZ3 4.33Å; E309-W457 HydrophobicContact CG-CB 3.9Å; R455-W457 HydrophobicContact CB-CZ2 4.24Å; R455-W457 VanDerWaalsContact O-CD1 3.32Å; R455-W457 PolarHBondContact O-N 3.47Å; W457-K459 PolarHBondContact O-N 3.26Å
458	S	74.5	Confident	78.5	Confident	79 Å²	79	110 Å²	110	55%	0.552	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.6	178.9	74.2	0	0	0	0	112.5	E309 D456 R460	E309-S458 WeakPolarHBondContact OE1-CA 3.37Å; E309-S458 PolarHBondContact OE1-N 3.41Å; D456-S458 VanDerWaalsContact C-N 3.29Å; D456-S458 PolarHBondContact O-N 2.91Å; D456-S458 WeakPolarHBondContact OD1-CB 3.49Å; D456-S458 PolarHBondContact OD1-N 3.3Å; D456-S458 PolarHBondContact OD1-OG 2.8Å; S458-R460 VanDerWaalsContact C-N 3.31Å; S458-R460 PolarHBondContact O-N 3.2Å
459	K	69.8	Low	77.3	Confident	139 Å²	139	104.5 Å²	104.5	60%	0.604	50%	0.499	S	S	*	.			trans	-81.1	75.9	176.9	-67	175.9	-177.7	152.2	0	110.2	D456 W457 G461 W463	D456-K459 VanDerWaalsContact OD2-CD 3.29Å; D456-K459 WeakPolarHBondContact OD2-CD 3.4Å; D456-K459 WeakPolarHBondContact OD2-CE 3.46Å; D456-K459 IonicContact OD2-NZ 2.73Å; D456-K459 PolarHBondContact OD2-NZ 2.81Å; W457-K459 PolarHBondContact O-N 3.26Å; K459-G461 PolarHBondContact O-N 3.35Å; K459-W463 PolarHBondContact O-NE1 3.27Å
460	R	56.6	Low	75.9	Confident	227 Å²	227	106.5 Å²	106.5	86%	0.857	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	11.9	-175.7	-74.9	-175.2	176.9	-177	-0.3	117.4	S458	S458-R460 VanDerWaalsContact C-N 3.31Å; S458-R460 PolarHBondContact O-N 3.2Å
461	G	54.1	Low	74.3	Confident	74 Å²	74	113.4 Å²	113.4	76%	0.763	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-2.6	-166.1	0	0	0	0	0	118.5	K459	K459-G461 PolarHBondContact O-N 3.35Å
462	R	45.6	Very low	72.6	Confident	221 Å²	221	112.3 Å²	112.3	83%	0.834	53%	0.526	S	S	*	.			trans	-137.9	8.6	-170.9	-85	-162.3	-123.7	-129.3	1.9	117.8
463	W	49	Very low	70.7	Confident	169 Å²	169	120.4 Å²	120.4	64%	0.64	57%	0.566	S	S	*	*			trans	-116.6	0	-165.7	-47.5	116.3	0	0	0	115.2	K257 K459	K257-W463 WeakPolarHBondContact CE-OXT 3.4Å; K257-W463 PolarHBondContact NZ-OXT 3.06Å; K459-W463 PolarHBondContact O-NE1 3.27Å

Retrieved 463 of 463 residues in 130.2 ms (Link to these results)

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