A0A077YZ36_TRITR Loading...

PH domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ36, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 624 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	29.6	Very low	46.1	Very low	258 Å²	258	126.2 Å²	126.2	100%	1.271	65%	0.646	S	S	*	*				0	37.4	0	-137.6	174.8	-158.4	0	0	112.3
2	S	30.2	Very low	48.8	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	66%	0.658	S	S	*	*			trans	-137.9	137.7	-167.7	-175.1	0	0	0	0	109.5
3	K	31.6	Very low	51.4	Low	200 Å²	200	122.2 Å²	122.2	87%	0.87	62%	0.623	S	S	*	*	S	Bend	trans	91.9	22.3	165	-53.2	-174.3	177.6	179.2	0	122.6
4	K	36.8	Very low	53.6	Low	196 Å²	196	117.4 Å²	117.4	85%	0.852	60%	0.597	S	S	*	*			trans	-118.3	6.5	170.9	-78	-170.2	177.5	-177.5	0	117.3	F6	K4-F6 PolarHBondContact O-N 3.44Å
5	L	35.7	Very low	55.8	Low	149 Å²	149	114.4 Å²	114.4	78%	0.78	59%	0.589	S	S	*	*			trans	-96.3	23.6	-174.5	-131.9	88.8	0	0	0	115.4
6	F	43.5	Very low	57.9	Low	105 Å²	105	113.6 Å²	113.6	46%	0.461	59%	0.586	S	S	.	*			trans	-122.5	55.2	-180	-137.3	-100.9	0	0	0	112.4	K4 Y9	K4-F6 PolarHBondContact O-N 3.44Å; F6-Y9 HydrophobicContact CE1-CG 4.46Å
7	V	49.7	Very low	59.8	Low	99 Å²	99	107.7 Å²	107.7	60%	0.6	56%	0.556	S	S	*	*			trans	-86.6	-15.5	174.9	-179.4	0	0	0	0	111.8	Y9 T13	V7-Y9 VanDerWaalsContact C-N 3.33Å; V7-Y9 PolarHBondContact O-N 3.47Å; V7-T13 VanDerWaalsContact O-CB 3.31Å; V7-T13 WeakPolarHBondContact O-CB 3.4Å; V7-T13 WeakPolarHBondContact O-CG2 3.32Å; V7-T13 PolarHBondContact O-OG1 2.59Å
8	A	52.1	Low	61.5	Low	25 Å²	25	109.3 Å²	109.3	21%	0.207	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	-13.7	-176.3	0	0	0	0	0	115.3	F166	A8-F166 HydrophobicContact CB-CE1 4.35Å
9	Y	57.6	Low	63.2	Low	77 Å²	77	108.7 Å²	108.7	30%	0.302	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.1	14	-178.8	-129.8	-93.3	0	0	0	113.3	F6 V7 L11 C130 N134 F166	F6-Y9 HydrophobicContact CE1-CG 4.46Å; V7-Y9 VanDerWaalsContact C-N 3.33Å; V7-Y9 PolarHBondContact O-N 3.47Å; Y9-L11 PolarHBondContact O-N 3.34Å; Y9-C130 PolarHBondContact OH-SG 2.85Å; Y9-N134 PolarHBondContact OH-ND2 3.5Å; Y9-F166 AromaticContact CD2-CE1 3.89Å; Y9-F166 HydrophobicContact CD2-CE1 3.89Å; Y9-F166 AromaticContact CD2-CZ 3.93Å; Y9-F166 HydrophobicContact CD2-CZ 3.93Å; Y9-F166 HydrophobicContact CE2-CE1 4.26Å; Y9-F166 AromaticContact CE2-CZ 3.98Å; Y9-F166 HydrophobicContact CE2-CZ 3.98Å
10	A	67.7	Low	64.7	Low	41 Å²	41	106 Å²	106	34%	0.339	54%	0.543	S	S	.	.			trans	-65.4	135.6	167.7	0	0	0	0	0	108.3	Q12 T13 Q14	A10-Q12 PolarHBondContact O-N 3.34Å; A10-T13 WeakPolarHBondContact O-CB 3.45Å; A10-T13 PolarHBondContact O-N 3.14Å; A10-Q14 PolarHBondContact O-N 2.79Å
11	L	72.9	Confident	66.1	Low	133 Å²	133	102 Å²	102	70%	0.696	52%	0.523	S	S	*	.	H	α-helix	trans	-50.6	-37.5	179.8	-175	67.2	0	0	0	111.5	Y9 T13 Q14 C15	Y9-L11 PolarHBondContact O-N 3.34Å; L11-T13 PolarHBondContact O-N 2.87Å; L11-Q14 PolarHBondContact O-N 3.46Å; L11-C15 PolarHBondContact O-N 2.97Å; L11-C15 PolarHBondContact O-SG 2.89Å; L11-C15 VanDerWaalsContact O-SG 3.33Å
12	Q	78.6	Confident	69.2	Low	168 Å²	168	97.1 Å²	97.1	79%	0.785	49%	0.494	S	S	*	.	H	α-helix	trans	-62.4	-40.1	177.1	-163.3	170.6	6.8	0	0	113.3	A10 C15 L16	A10-Q12 PolarHBondContact O-N 3.34Å; Q12-C15 PolarHBondContact O-N 3.27Å; Q12-L16 PolarHBondContact O-N 2.9Å
13	T	81.5	Confident	72.2	Confident	33 Å²	33	94.9 Å²	94.9	20%	0.202	47%	0.474	C	S	.	.	H	α-helix	trans	-66.2	-40.1	175.2	-51.3	0	0	0	0	111.1	V7 A10 L11 L16 L17	V7-T13 VanDerWaalsContact O-CB 3.31Å; V7-T13 WeakPolarHBondContact O-CB 3.4Å; V7-T13 WeakPolarHBondContact O-CG2 3.32Å; V7-T13 PolarHBondContact O-OG1 2.59Å; A10-T13 WeakPolarHBondContact O-CB 3.45Å; A10-T13 PolarHBondContact O-N 3.14Å; L11-T13 PolarHBondContact O-N 2.87Å; T13-L16 PolarHBondContact O-N 2.92Å; T13-L17 WeakPolarHBondContact O-CB 3.32Å; T13-L17 PolarHBondContact O-N 3.37Å
14	Q	82.1	Confident	75.2	Confident	55 Å²	55	85.7 Å²	85.7	26%	0.257	43%	0.434	S	S	.	.	H	α-helix	trans	-67.2	-37.9	176.3	-69.8	-164.7	-9.9	0	0	112.3	A10 L11 L17 K18	A10-Q14 PolarHBondContact O-N 2.79Å; L11-Q14 PolarHBondContact O-N 3.46Å; Q14-L17 PolarHBondContact O-N 2.78Å; Q14-K18 WeakPolarHBondContact O-CG 3.29Å; Q14-K18 PolarHBondContact O-N 3.15Å
15	C	87.4	Confident	77.9	Confident	72 Å²	72	82.6 Å²	82.6	49%	0.486	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-45.7	173.8	-70.7	0	0	0	0	111.4	L11 Q12 K18 V19	L11-C15 PolarHBondContact O-N 2.97Å; L11-C15 PolarHBondContact O-SG 2.89Å; L11-C15 VanDerWaalsContact O-SG 3.33Å; Q12-C15 PolarHBondContact O-N 3.27Å; C15-K18 PolarHBondContact O-N 3.41Å; C15-V19 PolarHBondContact O-N 2.68Å
16	L	88.8	Confident	80.8	Confident	102 Å²	102	80.4 Å²	80.4	53%	0.534	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-42.9	177	-172.4	63.4	0	0	0	111.6	Q12 T13 K18 V19 F20	Q12-L16 PolarHBondContact O-N 2.9Å; T13-L16 PolarHBondContact O-N 2.92Å; L16-K18 VanDerWaalsContact C-N 3.31Å; L16-K18 PolarHBondContact O-N 3.12Å; L16-V19 WeakPolarHBondContact O-CB 3.37Å; L16-V19 PolarHBondContact O-N 3.34Å; L16-V19 VanDerWaalsContact O-N 3.09Å; L16-F20 HydrophobicContact CD1-CD2 4.13Å; L16-F20 HydrophobicContact CD1-CE2 3.81Å; L16-F20 HydrophobicContact CD2-CE2 4.37Å; L16-F20 HydrophobicContact CG-CD2 4.06Å; L16-F20 HydrophobicContact CG-CE2 3.88Å; L16-F20 WeakPolarHBondContact O-CD2 3.44Å; L16-F20 PolarHBondContact O-N 3Å; L16-F20 VanDerWaalsContact O-N 3.09Å
17	L	90.6	Very high	83.3	Confident	13 Å²	13	76.1 Å²	76.1	7%	0.068	39%	0.392	C	S	.	.	H	α-helix	trans	-56.2	-45.3	176.7	-177.6	61	0	0	0	111.7	T13 Q14 V19 F20 E21 Y126 Y173 F174 M177	T13-L17 WeakPolarHBondContact O-CB 3.32Å; T13-L17 PolarHBondContact O-N 3.37Å; Q14-L17 PolarHBondContact O-N 2.78Å; L17-V19 VanDerWaalsContact C-N 3.27Å; L17-V19 PolarHBondContact O-N 3.21Å; L17-F20 PolarHBondContact O-N 3.25Å; L17-E21 HydrophobicContact CD1-CG 4.49Å; L17-E21 HydrophobicContact CG-CG 4.44Å; L17-E21 WeakPolarHBondContact O-CG 3.3Å; L17-E21 PolarHBondContact O-N 3.43Å; L17-Y126 HydrophobicContact CD2-CE1 3.69Å; L17-Y173 HydrophobicContact CD1-CD1 4.28Å; L17-Y173 HydrophobicContact CD1-CE1 3.81Å; L17-Y173 HydrophobicContact CD2-CE1 4.47Å; L17-F174 HydrophobicContact CD1-CD1 3.98Å; L17-F174 HydrophobicContact CD1-CE1 3.59Å; L17-F174 HydrophobicContact CD2-CE1 3.95Å; L17-F174 HydrophobicContact CD2-CZ 4.48Å; L17-F174 HydrophobicContact CG-CE1 4.33Å; L17-M177 HydrophobicContact CD1-CE 3.54Å; L17-M177 HydrophobicContact CD1-SD 4.06Å
18	K	91.4	Very high	85.5	Confident	137 Å²	137	72.1 Å²	72.1	60%	0.596	37%	0.367	S	S	*	.	H	α-helix	trans	-60.9	-34.8	177.4	-74.5	-179.4	178.6	-176	0	113	Q14 C15 L16 K22	Q14-K18 WeakPolarHBondContact O-CG 3.29Å; Q14-K18 PolarHBondContact O-N 3.15Å; C15-K18 PolarHBondContact O-N 3.41Å; L16-K18 VanDerWaalsContact C-N 3.31Å; L16-K18 PolarHBondContact O-N 3.12Å; K18-K22 WeakPolarHBondContact O-CB 3.33Å; K18-K22 PolarHBondContact O-N 3.48Å
19	V	92.5	Very high	87.7	Confident	97 Å²	97	74.4 Å²	74.4	59%	0.588	38%	0.375	S	S	*	.	H	α-helix	trans	-66.7	-47.6	175.4	175.6	0	0	0	0	110.4	C15 L16 L17 E21 K22 D23	C15-V19 PolarHBondContact O-N 2.68Å; L16-V19 WeakPolarHBondContact O-CB 3.37Å; L16-V19 PolarHBondContact O-N 3.34Å; L16-V19 VanDerWaalsContact O-N 3.09Å; L17-V19 VanDerWaalsContact C-N 3.27Å; L17-V19 PolarHBondContact O-N 3.21Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 3.03Å; V19-K22 PolarHBondContact O-N 2.84Å; V19-D23 PolarHBondContact O-N 2.66Å
20	F	92.8	Very high	89.5	Confident	54 Å²	54	76.1 Å²	76.1	24%	0.237	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-38.4	177.2	-83.8	-112.5	0	0	0	112.3	L16 L17 K22 D23 T24 M177 Q181	L16-F20 HydrophobicContact CD1-CD2 4.13Å; L16-F20 HydrophobicContact CD1-CE2 3.81Å; L16-F20 HydrophobicContact CD2-CE2 4.37Å; L16-F20 HydrophobicContact CG-CD2 4.06Å; L16-F20 HydrophobicContact CG-CE2 3.88Å; L16-F20 WeakPolarHBondContact O-CD2 3.44Å; L16-F20 PolarHBondContact O-N 3Å; L16-F20 VanDerWaalsContact O-N 3.09Å; L17-F20 PolarHBondContact O-N 3.25Å; F20-K22 VanDerWaalsContact C-N 3.32Å; F20-K22 PolarHBondContact O-N 3.45Å; F20-D23 PolarHBondContact O-N 2.88Å; F20-T24 VanDerWaalsContact O-CB 3.26Å; F20-T24 WeakPolarHBondContact O-CB 3.5Å; F20-T24 PolarHBondContact O-N 3Å; F20-T24 PolarHBondContact O-OG1 3.38Å; F20-M177 HydrophobicContact CB-CG 4.2Å; F20-M177 HydrophobicContact CB-SD 3.25Å; F20-M177 WeakPolarHBondContact CB-SD 3.35Å; F20-M177 HydrophobicContact CD1-CG 3.95Å; F20-M177 HydrophobicContact CD1-SD 3.86Å; F20-M177 HydrophobicContact CG-SD 3.92Å; F20-Q181 HydrophobicContact CD1-CG 4.21Å; F20-Q181 HydrophobicContact CE1-CG 4.04Å
21	E	93.9	Very high	90.9	Very high	24 Å²	24	74.1 Å²	74.1	11%	0.112	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-40	175.4	-78.5	-175.1	166	0	0	112	L17 V19 K25 K123 Y127 Y173	L17-E21 HydrophobicContact CD1-CG 4.49Å; L17-E21 HydrophobicContact CG-CG 4.44Å; L17-E21 WeakPolarHBondContact O-CG 3.3Å; L17-E21 PolarHBondContact O-N 3.43Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 3.03Å; E21-K25 WeakPolarHBondContact O-CB 3.16Å; E21-K25 PolarHBondContact O-N 3.28Å; E21-K123 WeakPolarHBondContact OE1-CE 3.47Å; E21-K123 IonicContact OE2-NZ 2.95Å; E21-Y127 VanDerWaalsContact CD-OH 3.27Å; E21-Y127 WeakPolarHBondContact OE1-CE2 3.47Å; E21-Y127 PolarHBondContact OE1-OH 3.45Å; E21-Y127 PolarHBondContact OE2-OH 3.26Å; E21-Y127 VanDerWaalsContact OE2-OH 3.09Å; E21-Y173 WeakPolarHBondContact CG-OH 3.45Å; E21-Y173 PolarHBondContact OE1-OH 3.48Å
22	K	95.4	Very high	92.1	Very high	155 Å²	155	71.2 Å²	71.2	67%	0.674	35%	0.351	S	S	*	.	H	α-helix	trans	-65	-47.2	176.3	-174.4	-179.9	178.3	-177.4	0	111.4	K18 V19 F20 K25 L26	K18-K22 WeakPolarHBondContact O-CB 3.33Å; K18-K22 PolarHBondContact O-N 3.48Å; V19-K22 PolarHBondContact O-N 2.84Å; F20-K22 VanDerWaalsContact C-N 3.32Å; F20-K22 PolarHBondContact O-N 3.45Å; K22-K25 PolarHBondContact O-N 2.8Å; K22-L26 PolarHBondContact O-N 3.04Å
23	D	94.4	Very high	93	Very high	58 Å²	58	68.9 Å²	68.9	31%	0.31	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-45.8	177.1	-177.1	82.4	0	0	0	111.5	V19 F20 K25 L26 L27 Q181 R184	V19-D23 PolarHBondContact O-N 2.66Å; F20-D23 PolarHBondContact O-N 2.88Å; D23-K25 VanDerWaalsContact C-N 3.32Å; D23-K25 PolarHBondContact O-N 3.49Å; D23-L26 PolarHBondContact O-N 3.32Å; D23-L27 PolarHBondContact O-N 2.88Å; D23-Q181 PolarHBondContact OD2-NE2 2.76Å; D23-Q181 PolarHBondContact OD2-OE1 2.96Å; D23-R184 IonicContact OD1-NH1 3.09Å; D23-R184 IonicContact OD2-NH1 2.8Å; D23-R184 PolarHBondContact OD2-NH1 2.86Å
24	T	93.5	Very high	93.8	Very high	6 Å²	6	68.5 Å²	68.5	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-43.6	176.8	-59.5	0	0	0	0	111.4	F20 L26 L27 I28 L119	F20-T24 VanDerWaalsContact O-CB 3.26Å; F20-T24 WeakPolarHBondContact O-CB 3.5Å; F20-T24 PolarHBondContact O-N 3Å; F20-T24 PolarHBondContact O-OG1 3.38Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 2.84Å; T24-L27 WeakPolarHBondContact O-CB 3.46Å; T24-L27 PolarHBondContact O-N 2.8Å; T24-I28 HydrophobicContact CG2-CD1 3.87Å; T24-I28 HydrophobicContact CG2-CG1 4.3Å; T24-I28 VanDerWaalsContact O-CG1 3.29Å; T24-I28 WeakPolarHBondContact O-CG1 3.49Å; T24-I28 PolarHBondContact O-N 2.9Å; T24-L119 HydrophobicContact CG2-CD2 3.31Å; T24-L119 HydrophobicContact CG2-CG 4.36Å
25	K	94.6	Very high	94.5	Very high	131 Å²	131	67.4 Å²	67.4	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-46.8	178	177.9	167.9	179.2	156.8	0	111.6	E21 K22 D23 L27 I28 D29	E21-K25 WeakPolarHBondContact O-CB 3.16Å; E21-K25 PolarHBondContact O-N 3.28Å; K22-K25 PolarHBondContact O-N 2.8Å; D23-K25 VanDerWaalsContact C-N 3.32Å; D23-K25 PolarHBondContact O-N 3.49Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.5Å; K25-I28 PolarHBondContact O-N 3.07Å; K25-D29 VanDerWaalsContact O-CG 3.25Å; K25-D29 PolarHBondContact O-N 3.05Å
26	L	96.4	Very high	95.1	Very high	104 Å²	104	66.6 Å²	66.6	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-38.2	176.9	-65.8	173.4	0	0	0	111.8	K22 D23 T24 F30	K22-L26 PolarHBondContact O-N 3.04Å; D23-L26 PolarHBondContact O-N 3.32Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 2.84Å; L26-F30 VanDerWaalsContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.43Å
27	L	95.9	Very high	95.5	Very high	15 Å²	15	67.8 Å²	67.8	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-42.8	175.7	178.7	62	0	0	0	112	D23 T24 K25 T31 F112 L116 I180 R184 L188	D23-L27 PolarHBondContact O-N 2.88Å; T24-L27 WeakPolarHBondContact O-CB 3.46Å; T24-L27 PolarHBondContact O-N 2.8Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.5Å; L27-T31 VanDerWaalsContact O-CB 3.28Å; L27-T31 WeakPolarHBondContact O-CB 3.49Å; L27-T31 PolarHBondContact O-N 3.48Å; L27-T31 PolarHBondContact O-OG1 2.73Å; L27-F112 HydrophobicContact CD2-CZ 4.27Å; L27-L116 HydrophobicContact CD2-CD2 4.21Å; L27-L116 HydrophobicContact CG-CD2 4.41Å; L27-I180 HydrophobicContact CD2-CG2 3.83Å; L27-R184 HydrophobicContact CD1-CB 4.26Å; L27-R184 HydrophobicContact CD2-CB 3.85Å; L27-L188 HydrophobicContact CD1-CD1 3.89Å
28	I	95.9	Very high	95.9	Very high	15 Å²	15	67.6 Å²	67.6	8%	0.077	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-54.5	175.1	-70.4	171.2	0	0	0	109.8	T24 K25 F30 T31 H32 L116	T24-I28 HydrophobicContact CG2-CD1 3.87Å; T24-I28 HydrophobicContact CG2-CG1 4.3Å; T24-I28 VanDerWaalsContact O-CG1 3.29Å; T24-I28 WeakPolarHBondContact O-CG1 3.49Å; T24-I28 PolarHBondContact O-N 2.9Å; K25-I28 PolarHBondContact O-N 3.07Å; I28-F30 VanDerWaalsContact C-N 3.29Å; I28-F30 PolarHBondContact O-N 3.31Å; I28-T31 PolarHBondContact O-N 3.43Å; I28-T31 VanDerWaalsContact O-N 3.15Å; I28-H32 PolarHBondContact O-CD2 3.28Å; I28-H32 VanDerWaalsContact O-CD2 3.23Å; I28-H32 PolarHBondContact O-N 3.02Å; I28-L116 HydrophobicContact CG1-CB 4.06Å; I28-L116 HydrophobicContact CG1-CD1 4.38Å; I28-L116 HydrophobicContact CG1-CD2 4.11Å; I28-L116 HydrophobicContact CG1-CG 4.42Å
29	D	96.9	Very high	96.2	Very high	72 Å²	72	65.2 Å²	65.2	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-58.8	-41.5	-177.4	-64	-21.5	0	0	0	111.4	K25 Q33	K25-D29 VanDerWaalsContact O-CG 3.25Å; K25-D29 PolarHBondContact O-N 3.05Å; D29-Q33 WeakPolarHBondContact O-CG 3.3Å; D29-Q33 PolarHBondContact O-N 3.45Å; D29-Q33 PolarHBondContact O-NE2 3.3Å
30	F	97	Very high	96.5	Very high	113 Å²	113	66.2 Å²	66.2	50%	0.496	32%	0.324	S	S	.	.	H	α-helix	trans	-68.2	-44	176.4	179.6	-94.2	0	0	0	112.7	L26 I28 Q33 L34 L188	L26-F30 VanDerWaalsContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CB 3.27Å; L26-F30 PolarHBondContact O-N 3.43Å; I28-F30 VanDerWaalsContact C-N 3.29Å; I28-F30 PolarHBondContact O-N 3.31Å; F30-Q33 PolarHBondContact O-N 2.58Å; F30-L34 HydrophobicContact CE1-CB 4.43Å; F30-L34 HydrophobicContact CE1-CD2 4.17Å; F30-L34 WeakPolarHBondContact O-CB 3.47Å; F30-L34 PolarHBondContact O-N 3.19Å; F30-L188 HydrophobicContact CD1-CD1 4.4Å; F30-L188 HydrophobicContact CD1-CD2 4.2Å; F30-L188 HydrophobicContact CE1-CD1 4.28Å; F30-L188 HydrophobicContact CE1-CD2 4.08Å
31	T	97.3	Very high	96.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.4	-37.8	-174.9	-52.4	0	0	0	0	111.2	L27 I28 L34 Q35 I109 F112 V113 L116 L188	L27-T31 VanDerWaalsContact O-CB 3.28Å; L27-T31 WeakPolarHBondContact O-CB 3.49Å; L27-T31 PolarHBondContact O-N 3.48Å; L27-T31 PolarHBondContact O-OG1 2.73Å; I28-T31 PolarHBondContact O-N 3.43Å; I28-T31 VanDerWaalsContact O-N 3.15Å; T31-L34 PolarHBondContact O-N 3.22Å; T31-Q35 WeakPolarHBondContact O-CB 3.38Å; T31-Q35 PolarHBondContact O-N 3.08Å; T31-I109 HydrophobicContact CG2-CD1 3.71Å; T31-I109 HydrophobicContact CG2-CG1 4.48Å; T31-F112 HydrophobicContact CG2-CD1 3.66Å; T31-F112 HydrophobicContact CG2-CE1 3.99Å; T31-V113 HydrophobicContact CG2-CG2 3.59Å; T31-L116 HydrophobicContact CG2-CD1 3.87Å; T31-L188 HydrophobicContact CG2-CD2 4.34Å
32	H	97.4	Very high	96.9	Very high	71 Å²	71	65.6 Å²	65.6	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-41.5	173	-76.7	-66.8	0	0	0	112.5	I28 Q35 A36 V113 D117	I28-H32 PolarHBondContact O-CD2 3.28Å; I28-H32 VanDerWaalsContact O-CD2 3.23Å; I28-H32 PolarHBondContact O-N 3.02Å; H32-Q35 PolarHBondContact O-N 3.48Å; H32-A36 PolarHBondContact O-N 3.49Å; H32-V113 WeakPolarHBondContact CE1-CG1 3.4Å; H32-D117 IonicContact NE2-OD1 3.01Å
33	Q	97.9	Very high	97	Very high	120 Å²	120	61.2 Å²	61.2	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-43.1	174.8	-73.2	173.4	55.2	0	0	111.4	D29 F30 Q35 A36 H37	D29-Q33 WeakPolarHBondContact O-CG 3.3Å; D29-Q33 PolarHBondContact O-N 3.45Å; D29-Q33 PolarHBondContact O-NE2 3.3Å; F30-Q33 PolarHBondContact O-N 2.58Å; Q33-Q35 PolarHBondContact O-N 2.83Å; Q33-A36 PolarHBondContact O-N 3.22Å; Q33-H37 PolarHBondContact O-CD2 2.82Å; Q33-H37 PolarHBondContact O-N 3.18Å; Q33-H37 VanDerWaalsContact O-N 3.08Å
34	L	97.5	Very high	97.2	Very high	25 Å²	25	60.8 Å²	60.8	13%	0.131	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-46.6	175.5	178.4	61.4	0	0	0	111.1	F30 T31 A36 H37 L38 I109 L188	F30-L34 HydrophobicContact CE1-CB 4.43Å; F30-L34 HydrophobicContact CE1-CD2 4.17Å; F30-L34 WeakPolarHBondContact O-CB 3.47Å; F30-L34 PolarHBondContact O-N 3.19Å; T31-L34 PolarHBondContact O-N 3.22Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.03Å; L34-H37 PolarHBondContact O-N 3.06Å; L34-L38 HydrophobicContact CD1-CD1 4.15Å; L34-L38 HydrophobicContact CD1-CD2 4.49Å; L34-L38 HydrophobicContact CD1-CG 4.09Å; L34-L38 HydrophobicContact CG-CD1 3.94Å; L34-L38 HydrophobicContact CG-CG 4.3Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.36Å; L34-I109 HydrophobicContact CD2-CD1 4.17Å; L34-L188 HydrophobicContact CD2-CD2 3.78Å
35	Q	97.7	Very high	97.4	Very high	32 Å²	32	61.4 Å²	61.4	15%	0.15	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-48.4	176.6	-179.7	-177	1.6	0	0	111.2	T31 H32 Q33 H37 L38 E39 I109	T31-Q35 WeakPolarHBondContact O-CB 3.38Å; T31-Q35 PolarHBondContact O-N 3.08Å; H32-Q35 PolarHBondContact O-N 3.48Å; Q33-Q35 PolarHBondContact O-N 2.83Å; Q35-H37 VanDerWaalsContact C-N 3.3Å; Q35-H37 PolarHBondContact O-N 3.39Å; Q35-L38 PolarHBondContact O-N 3.1Å; Q35-L38 VanDerWaalsContact O-N 3.11Å; Q35-E39 HydrophobicContact CG-CG 4.29Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.46Å; Q35-E39 PolarHBondContact NE2-OE1 2.97Å; Q35-E39 WeakPolarHBondContact O-CG 3.31Å; Q35-E39 PolarHBondContact O-N 2.82Å; Q35-I109 HydrophobicContact CB-CG1 4.17Å; Q35-I109 HydrophobicContact CG-CG2 4.32Å
36	A	98.2	Very high	97.5	Very high	55 Å²	55	56.6 Å²	56.6	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-40	179.1	0	0	0	0	0	112.5	H32 Q33 L34 L40	H32-A36 PolarHBondContact O-N 3.49Å; Q33-A36 PolarHBondContact O-N 3.22Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.03Å; A36-L40 PolarHBondContact O-N 3.18Å; A36-L40 VanDerWaalsContact O-N 3.11Å
37	H	98.3	Very high	97.6	Very high	127 Å²	127	56.3 Å²	56.3	59%	0.588	30%	0.303	S	S	*	.	H	α-helix	trans	-68	-37.7	175.2	-72.7	-56.2	0	0	0	113	Q33 L34 Q35 L41	Q33-H37 PolarHBondContact O-CD2 2.82Å; Q33-H37 PolarHBondContact O-N 3.18Å; Q33-H37 VanDerWaalsContact O-N 3.08Å; L34-H37 PolarHBondContact O-N 3.06Å; Q35-H37 VanDerWaalsContact C-N 3.3Å; Q35-H37 PolarHBondContact O-N 3.39Å; H37-L41 PolarHBondContact O-N 3.34Å; H37-L41 VanDerWaalsContact O-N 3.07Å
38	L	98.1	Very high	97.7	Very high	8 Å²	8	59 Å²	59	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-43.2	176.7	-67.6	176.6	0	0	0	111.4	L34 Q35 L40 L41 V42 V105 L106 I109 P191 I195	L34-L38 HydrophobicContact CD1-CD1 4.15Å; L34-L38 HydrophobicContact CD1-CD2 4.49Å; L34-L38 HydrophobicContact CD1-CG 4.09Å; L34-L38 HydrophobicContact CG-CD1 3.94Å; L34-L38 HydrophobicContact CG-CG 4.3Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.36Å; Q35-L38 PolarHBondContact O-N 3.1Å; Q35-L38 VanDerWaalsContact O-N 3.11Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 2.96Å; L38-L41 WeakPolarHBondContact O-CB 3.3Å; L38-L41 PolarHBondContact O-N 2.89Å; L38-V42 WeakPolarHBondContact O-CG2 3.36Å; L38-V42 PolarHBondContact O-N 3.31Å; L38-V105 HydrophobicContact CB-CG1 4.35Å; L38-V105 HydrophobicContact CD1-CG1 3.92Å; L38-V105 HydrophobicContact CD2-CG1 3.86Å; L38-V105 HydrophobicContact CG-CG1 4.26Å; L38-L106 HydrophobicContact CB-CD2 4.04Å; L38-I109 HydrophobicContact CD1-CB 4.25Å; L38-I109 HydrophobicContact CD1-CG1 4.18Å; L38-I109 HydrophobicContact CD1-CG2 4.13Å; L38-P191 HydrophobicContact CD1-CB 4.18Å; L38-I195 HydrophobicContact CD2-CD1 3.45Å; L38-I195 VanDerWaalsContact CD2-CD1 3.45Å
39	E	98.4	Very high	97.7	Very high	87 Å²	87	58.3 Å²	58.3	41%	0.407	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-44.2	175.1	-73.9	171.5	175.8	0	0	111.5	Q35 L41 V42 S43 L106	Q35-E39 HydrophobicContact CG-CG 4.29Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.46Å; Q35-E39 PolarHBondContact NE2-OE1 2.97Å; Q35-E39 WeakPolarHBondContact O-CG 3.31Å; Q35-E39 PolarHBondContact O-N 2.82Å; E39-L41 PolarHBondContact O-N 2.89Å; E39-V42 PolarHBondContact O-N 2.95Å; E39-S43 WeakPolarHBondContact O-CB 3.4Å; E39-S43 PolarHBondContact O-N 3.43Å; E39-L106 HydrophobicContact CG-CD2 3.97Å
40	L	98.4	Very high	97.8	Very high	119 Å²	119	56.6 Å²	56.6	62%	0.623	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-44.4	175.4	-177.8	64.7	0	0	0	112.2	A36 L38 S43 A44	A36-L40 PolarHBondContact O-N 3.18Å; A36-L40 VanDerWaalsContact O-N 3.11Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 2.96Å; L40-S43 PolarHBondContact O-N 3.32Å; L40-A44 WeakPolarHBondContact O-CB 3.12Å; L40-A44 PolarHBondContact O-N 2.92Å
41	L	97.2	Very high	97.8	Very high	61 Å²	61	54.6 Å²	54.6	32%	0.319	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-46.9	177.9	177.6	68.5	0	0	0	111.5	H37 L38 E39 A44 Q45 I195	H37-L41 PolarHBondContact O-N 3.34Å; H37-L41 VanDerWaalsContact O-N 3.07Å; L38-L41 WeakPolarHBondContact O-CB 3.3Å; L38-L41 PolarHBondContact O-N 2.89Å; E39-L41 PolarHBondContact O-N 2.89Å; L41-A44 PolarHBondContact O-N 3.44Å; L41-Q45 PolarHBondContact O-N 3.41Å; L41-I195 HydrophobicContact CD2-CD1 4.23Å; L41-I195 HydrophobicContact CD2-CG2 4.44Å
42	V	97.8	Very high	97.8	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.024	32%	0.321	C	S	.	.	H	α-helix	trans	-68.1	-38.9	-179.2	179.1	0	0	0	0	111.3	L38 E39 Q45 A46 L101 Q102 L106	L38-V42 WeakPolarHBondContact O-CG2 3.36Å; L38-V42 PolarHBondContact O-N 3.31Å; E39-V42 PolarHBondContact O-N 2.95Å; V42-Q45 PolarHBondContact O-N 2.89Å; V42-A46 WeakPolarHBondContact O-CB 3.29Å; V42-A46 PolarHBondContact O-N 3.44Å; V42-L101 HydrophobicContact CG1-CB 4.18Å; V42-L101 HydrophobicContact CG2-CB 3.68Å; V42-L101 HydrophobicContact CG2-CD1 4.18Å; V42-L101 HydrophobicContact CG2-CG 4.47Å; V42-Q102 HydrophobicContact CG1-CG 3.93Å; V42-L106 HydrophobicContact CB-CD1 3.87Å; V42-L106 HydrophobicContact CB-CD2 4.45Å; V42-L106 HydrophobicContact CB-CG 4.26Å; V42-L106 HydrophobicContact CG1-CD1 3.79Å; V42-L106 HydrophobicContact CG1-CG 4.41Å; V42-L106 HydrophobicContact CG2-CD1 4.01Å; V42-L106 HydrophobicContact CG2-CD2 3.91Å; V42-L106 HydrophobicContact CG2-CG 3.82Å
43	S	98	Very high	97.7	Very high	63 Å²	63	59.5 Å²	59.5	44%	0.441	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-47.5	174.1	-169	0	0	0	0	111.4	E39 L40 Q45 A46 D47	E39-S43 WeakPolarHBondContact O-CB 3.4Å; E39-S43 PolarHBondContact O-N 3.43Å; L40-S43 PolarHBondContact O-N 3.32Å; S43-Q45 VanDerWaalsContact C-N 3.3Å; S43-Q45 PolarHBondContact O-N 2.93Å; S43-A46 WeakPolarHBondContact O-CB 3.43Å; S43-A46 PolarHBondContact O-N 3Å; S43-A46 VanDerWaalsContact O-N 3.13Å; S43-D47 PolarHBondContact O-N 3.25Å
44	A	98.3	Very high	97.7	Very high	48 Å²	48	60.3 Å²	60.3	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-39.5	178.2	0	0	0	0	0	112	L40 L41 A46 D47 V48	L40-A44 WeakPolarHBondContact O-CB 3.12Å; L40-A44 PolarHBondContact O-N 2.92Å; L41-A44 PolarHBondContact O-N 3.44Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-D47 PolarHBondContact O-N 3.21Å; A44-V48 WeakPolarHBondContact O-CG2 3.29Å; A44-V48 PolarHBondContact O-N 3.03Å; A44-V48 VanDerWaalsContact O-N 3.12Å
45	Q	97.3	Very high	97.7	Very high	20 Å²	20	63 Å²	63	9%	0.093	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-35.8	176.3	-172.1	60.1	51.4	0	0	112.2	L41 V42 S43 V48 A49 M97 V98 L101	L41-Q45 PolarHBondContact O-N 3.41Å; V42-Q45 PolarHBondContact O-N 2.89Å; S43-Q45 VanDerWaalsContact C-N 3.3Å; S43-Q45 PolarHBondContact O-N 2.93Å; Q45-V48 PolarHBondContact O-N 3.05Å; Q45-A49 PolarHBondContact O-N 3.39Å; Q45-A49 VanDerWaalsContact O-N 3.11Å; Q45-M97 HydrophobicContact CG-CE 4.24Å; Q45-M97 HydrophobicContact CG-SD 4.09Å; Q45-V98 HydrophobicContact CB-CG2 4.3Å; Q45-V98 HydrophobicContact CG-CG2 3.82Å; Q45-L101 HydrophobicContact CB-CD1 4.15Å; Q45-L101 HydrophobicContact CG-CD1 4.02Å
46	A	97.9	Very high	97.7	Very high	29 Å²	29	61.8 Å²	61.8	24%	0.24	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-41.6	174.4	0	0	0	0	0	111.8	V42 S43 A44 V48 A49 A50 V98	V42-A46 WeakPolarHBondContact O-CB 3.29Å; V42-A46 PolarHBondContact O-N 3.44Å; S43-A46 WeakPolarHBondContact O-CB 3.43Å; S43-A46 PolarHBondContact O-N 3Å; S43-A46 VanDerWaalsContact O-N 3.13Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A46-V48 VanDerWaalsContact C-N 3.29Å; A46-V48 PolarHBondContact O-N 3.46Å; A46-A49 PolarHBondContact O-N 2.87Å; A46-A50 WeakPolarHBondContact O-CB 3.42Å; A46-A50 PolarHBondContact O-N 2.96Å; A46-V98 HydrophobicContact CB-CG1 3.93Å; A46-V98 HydrophobicContact CB-CG2 4.19Å
47	D	98.4	Very high	97.6	Very high	98 Å²	98	62.6 Å²	62.6	52%	0.524	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-38.3	176.3	-66.6	-26.7	0	0	0	111.7	S43 A44 S51	S43-D47 PolarHBondContact O-N 3.25Å; A44-D47 PolarHBondContact O-N 3.21Å; D47-S51 VanDerWaalsContact O-CB 3.3Å; D47-S51 WeakPolarHBondContact O-CB 3.33Å; D47-S51 PolarHBondContact O-N 2.72Å; D47-S51 PolarHBondContact O-OG 3.47Å
48	V	96.9	Very high	97.6	Very high	71 Å²	71	64.1 Å²	64.1	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-64.9	-45.2	175	174.3	0	0	0	0	111.3	A44 Q45 A46 S51 M52 M94	A44-V48 WeakPolarHBondContact O-CG2 3.29Å; A44-V48 PolarHBondContact O-N 3.03Å; A44-V48 VanDerWaalsContact O-N 3.12Å; Q45-V48 PolarHBondContact O-N 3.05Å; A46-V48 VanDerWaalsContact C-N 3.29Å; A46-V48 PolarHBondContact O-N 3.46Å; V48-S51 PolarHBondContact O-N 2.8Å; V48-M52 PolarHBondContact O-N 3.26Å; V48-M94 HydrophobicContact CG1-CE 4.35Å; V48-M94 HydrophobicContact CG1-SD 3.63Å
49	A	97.1	Very high	97.5	Very high	2 Å²	2	65.4 Å²	65.4	2%	0.017	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-47.9	177.6	0	0	0	0	0	111.5	Q45 A46 S51 M52 E53 M94 V98	Q45-A49 PolarHBondContact O-N 3.39Å; Q45-A49 VanDerWaalsContact O-N 3.11Å; A46-A49 PolarHBondContact O-N 2.87Å; A49-S51 VanDerWaalsContact C-N 3.33Å; A49-S51 PolarHBondContact O-N 3.35Å; A49-M52 WeakPolarHBondContact O-CB 3.32Å; A49-M52 PolarHBondContact O-N 3.08Å; A49-E53 PolarHBondContact O-N 3.42Å; A49-E53 VanDerWaalsContact O-N 3.1Å; A49-M94 HydrophobicContact CB-CB 3.88Å; A49-V98 HydrophobicContact CB-CG2 4.17Å
50	A	97.7	Very high	97.3	Very high	36 Å²	36	62.5 Å²	62.5	30%	0.298	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-37.6	177.9	0	0	0	0	0	112.6	A46 M52 E53 Q54	A46-A50 WeakPolarHBondContact O-CB 3.42Å; A46-A50 PolarHBondContact O-N 2.96Å; A50-M52 VanDerWaalsContact C-N 3.32Å; A50-E53 PolarHBondContact O-N 3.44Å; A50-Q54 WeakPolarHBondContact O-CG 3.4Å; A50-Q54 PolarHBondContact O-N 3.37Å; A50-Q54 PolarHBondContact O-NE2 3.39Å
51	S	98.3	Very high	97	Very high	70 Å²	70	58.1 Å²	58.1	49%	0.49	35%	0.345	S	S	.	.	H	α-helix	trans	-65.5	-37.6	176.2	-61	0	0	0	0	111.7	D47 V48 A49 Q54 L55	D47-S51 VanDerWaalsContact O-CB 3.3Å; D47-S51 WeakPolarHBondContact O-CB 3.33Å; D47-S51 PolarHBondContact O-N 2.72Å; D47-S51 PolarHBondContact O-OG 3.47Å; V48-S51 PolarHBondContact O-N 2.8Å; A49-S51 VanDerWaalsContact C-N 3.33Å; A49-S51 PolarHBondContact O-N 3.35Å; S51-Q54 PolarHBondContact O-N 2.74Å; S51-L55 WeakPolarHBondContact O-CB 3.4Å; S51-L55 PolarHBondContact O-N 2.75Å
52	M	96.4	Very high	96.8	Very high	36 Å²	36	58 Å²	58	18%	0.177	34%	0.34	C	S	.	.	H	α-helix	trans	-66.6	-41.2	177.2	-160.9	70.6	97.9	0	0	111.6	V48 A49 A50 L55 S56 V87 L90 M94	V48-M52 PolarHBondContact O-N 3.26Å; A49-M52 WeakPolarHBondContact O-CB 3.32Å; A49-M52 PolarHBondContact O-N 3.08Å; A50-M52 VanDerWaalsContact C-N 3.32Å; M52-L55 PolarHBondContact O-N 3.2Å; M52-S56 PolarHBondContact O-N 2.77Å; M52-V87 HydrophobicContact CG-CG1 3.84Å; M52-V87 VanDerWaalsContact CG-O 3.23Å; M52-V87 WeakPolarHBondContact CG-O 3.16Å; M52-V87 WeakPolarHBondContact O-CG1 3.37Å; M52-V87 HydrophobicContact SD-CG1 3.62Å; M52-L90 HydrophobicContact CE-CB 3.84Å; M52-L90 HydrophobicContact CE-CD1 4.22Å; M52-L90 HydrophobicContact CG-CB 4.42Å; M52-M94 HydrophobicContact CE-CE 3.81Å; M52-M94 HydrophobicContact CE-SD 4.07Å
53	E	96.5	Very high	96.2	Very high	138 Å²	138	60.4 Å²	60.4	65%	0.645	36%	0.357	S	S	*	.	H	α-helix	trans	-61.4	-47.5	174.8	-174.7	-178	-177.2	0	0	111.6	A49 A50 L55 S56 A57	A49-E53 PolarHBondContact O-N 3.42Å; A49-E53 VanDerWaalsContact O-N 3.1Å; A50-E53 PolarHBondContact O-N 3.44Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.79Å; E53-S56 PolarHBondContact O-N 3.15Å; E53-A57 PolarHBondContact O-N 2.95Å
54	Q	97.4	Very high	95.7	Very high	137 Å²	137	64.2 Å²	64.2	64%	0.64	37%	0.372	S	S	*	.	H	α-helix	trans	-61.2	-41.9	177.8	-73.2	174	53.9	0	0	112.2	A50 S51 A57 F58	A50-Q54 WeakPolarHBondContact O-CG 3.4Å; A50-Q54 PolarHBondContact O-N 3.37Å; A50-Q54 PolarHBondContact O-NE2 3.39Å; S51-Q54 PolarHBondContact O-N 2.74Å; Q54-A57 PolarHBondContact O-N 2.89Å; Q54-F58 WeakPolarHBondContact O-CB 3.44Å; Q54-F58 PolarHBondContact O-N 3.14Å
55	L	98	Very high	95.3	Very high	82 Å²	82	66.2 Å²	66.2	43%	0.429	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-45.6	176.4	179.1	60.2	0	0	0	111.2	S51 M52 E53 A57 F58 L59 V87	S51-L55 WeakPolarHBondContact O-CB 3.4Å; S51-L55 PolarHBondContact O-N 2.75Å; M52-L55 PolarHBondContact O-N 3.2Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.79Å; L55-A57 PolarHBondContact O-N 3.13Å; L55-F58 PolarHBondContact O-N 3.44Å; L55-L59 HydrophobicContact CD1-CD1 4.39Å; L55-L59 HydrophobicContact CD1-CG 4.3Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.35Å; L55-L59 PolarHBondContact O-N 3.22Å; L55-V87 HydrophobicContact CB-CG1 4.24Å; L55-V87 HydrophobicContact CD2-CG1 4.13Å; L55-V87 HydrophobicContact CG-CG1 4.1Å
56	S	97.5	Very high	94.7	Very high	7 Å²	7	73.2 Å²	73.2	5%	0.049	41%	0.408	C	S	.	.	H	α-helix	trans	-58.9	-47.5	176.3	-174.7	0	0	0	0	111.3	M52 E53 F58 L59 G60 Q84 A88	M52-S56 PolarHBondContact O-N 2.77Å; E53-S56 PolarHBondContact O-N 3.15Å; S56-F58 VanDerWaalsContact C-N 3.33Å; S56-F58 PolarHBondContact O-N 2.93Å; S56-L59 PolarHBondContact O-N 3.24Å; S56-G60 PolarHBondContact O-N 2.98Å; S56-Q84 WeakPolarHBondContact O-CG 3.25Å; S56-Q84 WeakPolarHBondContact OG-CG 3.32Å; S56-Q84 PolarHBondContact OG-NE2 2.91Å; S56-Q84 PolarHBondContact OG-O 2.95Å; S56-A88 WeakPolarHBondContact OG-CB 3.38Å
57	A	96	Very high	94.1	Very high	71 Å²	71	75.1 Å²	75.1	59%	0.587	41%	0.411	S	S	*	.	H	α-helix	trans	-60	-42.1	178.5	0	0	0	0	0	112.4	E53 Q54 L55 G60 G61	E53-A57 PolarHBondContact O-N 2.95Å; Q54-A57 PolarHBondContact O-N 2.89Å; L55-A57 PolarHBondContact O-N 3.13Å; A57-G60 PolarHBondContact O-N 3.26Å; A57-G61 PolarHBondContact O-N 2.82Å
58	F	97.1	Very high	93.3	Very high	160 Å²	160	75.1 Å²	75.1	70%	0.702	42%	0.416	S	S	*	.	H	α-helix	trans	-61.9	-46.2	176.1	176.1	-100.4	0	0	0	112.1	Q54 L55 S56 G60 G61	Q54-F58 WeakPolarHBondContact O-CB 3.44Å; Q54-F58 PolarHBondContact O-N 3.14Å; L55-F58 PolarHBondContact O-N 3.44Å; S56-F58 VanDerWaalsContact C-N 3.33Å; S56-F58 PolarHBondContact O-N 2.93Å; F58-G60 VanDerWaalsContact C-N 3.29Å; F58-G60 PolarHBondContact O-N 2.83Å; F58-G61 PolarHBondContact O-N 3.38Å
59	L	96.6	Very high	92.4	Very high	34 Å²	34	79 Å²	79	18%	0.178	43%	0.434	C	S	.	.	H	α-helix	trans	-60.7	-39.7	178	-68.2	174.5	0	0	0	111.6	L55 S56 G61 Y62 I80 F83 Q84 V87	L55-L59 HydrophobicContact CD1-CD1 4.39Å; L55-L59 HydrophobicContact CD1-CG 4.3Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.35Å; L55-L59 PolarHBondContact O-N 3.22Å; S56-L59 PolarHBondContact O-N 3.24Å; L59-G61 PolarHBondContact O-N 3.31Å; L59-Y62 WeakPolarHBondContact O-CB 3.41Å; L59-Y62 PolarHBondContact O-N 2.79Å; L59-Y62 VanDerWaalsContact O-N 3.1Å; L59-I80 HydrophobicContact CB-CG2 4.13Å; L59-I80 HydrophobicContact CD2-CG2 4.27Å; L59-I80 VanDerWaalsContact O-CG2 3.32Å; L59-I80 WeakPolarHBondContact O-CG2 3.3Å; L59-F83 HydrophobicContact CD1-CB 4.44Å; L59-Q84 HydrophobicContact CB-CB 3.85Å; L59-Q84 HydrophobicContact CB-CG 4.2Å; L59-V87 HydrophobicContact CD1-CG2 4.3Å
60	G	93.7	Very high	91.1	Very high	26 Å²	26	82.2 Å²	82.2	27%	0.268	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-22.9	175.9	0	0	0	0	0	113.8	S56 A57 F58 Y62	S56-G60 PolarHBondContact O-N 2.98Å; A57-G60 PolarHBondContact O-N 3.26Å; F58-G60 VanDerWaalsContact C-N 3.29Å; F58-G60 PolarHBondContact O-N 2.83Å; G60-Y62 VanDerWaalsContact C-N 3.28Å; G60-Y62 PolarHBondContact O-N 2.95Å
61	G	93.3	Very high	89.3	Confident	28 Å²	28	90.5 Å²	90.5	29%	0.289	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.6	175	0	0	0	0	0	114.3	A57 F58 L59 S63 N64	A57-G61 PolarHBondContact O-N 2.82Å; F58-G61 PolarHBondContact O-N 3.38Å; L59-G61 PolarHBondContact O-N 3.31Å; G61-S63 VanDerWaalsContact C-N 3.32Å; G61-S63 PolarHBondContact O-N 2.81Å; G61-N64 WeakPolarHBondContact O-CB 3.23Å; G61-N64 PolarHBondContact O-N 3.38Å; G61-N64 VanDerWaalsContact O-N 3.08Å
62	Y	92.1	Very high	87.6	Confident	59 Å²	59	94.9 Å²	94.9	23%	0.231	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-58.8	-42	-174.2	-174.3	-86.9	0	0	0	112.7	L59 G60 N64 I65 F67 F76 P77 I80	L59-Y62 WeakPolarHBondContact O-CB 3.41Å; L59-Y62 PolarHBondContact O-N 2.79Å; L59-Y62 VanDerWaalsContact O-N 3.1Å; G60-Y62 VanDerWaalsContact C-N 3.28Å; G60-Y62 PolarHBondContact O-N 2.95Å; Y62-N64 PolarHBondContact O-N 2.85Å; Y62-N64 VanDerWaalsContact O-N 3.08Å; Y62-I65 PolarHBondContact O-N 3.32Å; Y62-F67 HydrophobicContact CD2-CE2 4.43Å; Y62-F67 HydrophobicContact CE1-CE2 4.2Å; Y62-F67 AromaticContact CE2-CE2 3.72Å; Y62-F67 HydrophobicContact CE2-CE2 3.72Å; Y62-F67 AromaticContact CE2-CZ 3.82Å; Y62-F67 HydrophobicContact CE2-CZ 3.82Å; Y62-F67 AromaticContact CZ-CE2 3.57Å; Y62-F76 HydrophobicContact CD1-CD1 4.46Å; Y62-F76 AromaticContact CE1-CD1 3.54Å; Y62-F76 HydrophobicContact CE1-CD1 3.54Å; Y62-F76 AromaticContact CE1-CE1 3.89Å; Y62-F76 HydrophobicContact CE1-CE1 3.89Å; Y62-F76 HydrophobicContact CE2-CD1 4.31Å; Y62-F76 AromaticContact CE2-CE1 3.82Å; Y62-F76 HydrophobicContact CE2-CE1 3.82Å; Y62-F76 AromaticContact CZ-CD1 3.44Å; Y62-F76 VanDerWaalsContact CZ-CD1 3.44Å; Y62-F76 AromaticContact CZ-CE1 3.41Å; Y62-F76 VanDerWaalsContact CZ-CE1 3.41Å; Y62-F76 VanDerWaalsContact OH-CD1 3.22Å; Y62-F76 WeakPolarHBondContact OH-CD1 3.48Å; Y62-F76 VanDerWaalsContact OH-CE1 3.31Å; Y62-F76 WeakPolarHBondContact OH-CE1 3.36Å; Y62-P77 HydrophobicContact CE1-CG 4.25Å; Y62-I80 HydrophobicContact CD1-CB 4.46Å; Y62-I80 HydrophobicContact CD1-CG1 4.21Å; Y62-I80 HydrophobicContact CG-CG1 4.27Å; Y62-I80 HydrophobicContact CG-CG2 4.24Å
63	S	85.8	Confident	86.3	Confident	54 Å²	54	96.5 Å²	96.5	38%	0.378	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-63.1	-16.8	-179.1	-59.3	0	0	0	0	113.5	G61 N81	G61-S63 VanDerWaalsContact C-N 3.32Å; G61-S63 PolarHBondContact O-N 2.81Å; S63-N81 PolarHBondContact OG-ND2 3.19Å; S63-N81 VanDerWaalsContact OG-ND2 3.13Å; S63-N81 PolarHBondContact OG-OD1 3.17Å
64	N	88.5	Confident	85.2	Confident	142 Å²	142	96.4 Å²	96.4	76%	0.759	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-91.6	-3.8	178.9	-60.4	-42.7	0	0	0	113.1	G61 Y62	G61-N64 WeakPolarHBondContact O-CB 3.23Å; G61-N64 PolarHBondContact O-N 3.38Å; G61-N64 VanDerWaalsContact O-N 3.08Å; Y62-N64 PolarHBondContact O-N 2.85Å; Y62-N64 VanDerWaalsContact O-N 3.08Å
65	I	89	Confident	84.4	Confident	90 Å²	90	95.9 Å²	95.9	46%	0.462	51%	0.506	S	S	.	.			trans	-90.1	121.8	-178.2	-54.4	174.3	0	0	0	109.6	Y62 F67	Y62-I65 PolarHBondContact O-N 3.32Å; I65-F67 HydrophobicContact CB-CD2 4.23Å; I65-F67 HydrophobicContact CB-CE2 3.61Å; I65-F67 HydrophobicContact CB-CZ 3.9Å; I65-F67 HydrophobicContact CD1-CE2 4.48Å; I65-F67 HydrophobicContact CD1-CZ 4.12Å; I65-F67 HydrophobicContact CG2-CD1 4.19Å; I65-F67 HydrophobicContact CG2-CD2 3.91Å; I65-F67 HydrophobicContact CG2-CE1 3.79Å; I65-F67 HydrophobicContact CG2-CE2 3.47Å; I65-F67 VanDerWaalsContact CG2-CE2 3.47Å; I65-F67 HydrophobicContact CG2-CG 4.25Å; I65-F67 HydrophobicContact CG2-CZ 3.41Å; I65-F67 VanDerWaalsContact CG2-CZ 3.41Å; I65-F67 PolarHBondContact O-N 3.23Å
66	H	85	Confident	83.7	Confident	167 Å²	167	95.9 Å²	95.9	77%	0.773	50%	0.502	S	S	*	.			trans	-88.2	99.6	174.1	-171.9	-57.2	0	0	0	110.8
67	F	85.1	Confident	83.2	Confident	70 Å²	70	97 Å²	97	31%	0.307	51%	0.51	S	S	.	.			trans	-84.7	126.4	174.5	-60.9	-86.3	0	0	0	111	Y62 I65 L69 T70	Y62-F67 HydrophobicContact CD2-CE2 4.43Å; Y62-F67 HydrophobicContact CE1-CE2 4.2Å; Y62-F67 AromaticContact CE2-CE2 3.72Å; Y62-F67 HydrophobicContact CE2-CE2 3.72Å; Y62-F67 AromaticContact CE2-CZ 3.82Å; Y62-F67 HydrophobicContact CE2-CZ 3.82Å; Y62-F67 AromaticContact CZ-CE2 3.57Å; I65-F67 HydrophobicContact CB-CD2 4.23Å; I65-F67 HydrophobicContact CB-CE2 3.61Å; I65-F67 HydrophobicContact CB-CZ 3.9Å; I65-F67 HydrophobicContact CD1-CE2 4.48Å; I65-F67 HydrophobicContact CD1-CZ 4.12Å; I65-F67 HydrophobicContact CG2-CD1 4.19Å; I65-F67 HydrophobicContact CG2-CD2 3.91Å; I65-F67 HydrophobicContact CG2-CE1 3.79Å; I65-F67 HydrophobicContact CG2-CE2 3.47Å; I65-F67 VanDerWaalsContact CG2-CE2 3.47Å; I65-F67 HydrophobicContact CG2-CG 4.25Å; I65-F67 HydrophobicContact CG2-CZ 3.41Å; I65-F67 VanDerWaalsContact CG2-CZ 3.41Å; I65-F67 PolarHBondContact O-N 3.23Å; F67-L69 PolarHBondContact O-N 3.43Å; F67-T70 HydrophobicContact CB-CG2 3.66Å; F67-T70 WeakPolarHBondContact CB-OG1 3.42Å; F67-T70 HydrophobicContact CD2-CG2 4.38Å; F67-T70 HydrophobicContact CG-CG2 4.27Å; F67-T70 PolarHBondContact O-N 3.09Å; F67-T70 PolarHBondContact O-OG1 3.23Å; F67-T70 VanDerWaalsContact O-OG1 3.05Å
68	P	81.3	Confident	82.8	Confident	97 Å²	97	96.4 Å²	96.4	63%	0.63	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.3	-178.1	-24.3	33.8	0	0	0	115.4	W71	P68-W71 PolarHBondContact O-NE1 2.94Å
69	L	78.7	Confident	82.4	Confident	154 Å²	154	90 Å²	90	81%	0.806	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-5.5	-175.4	-59.8	178.2	0	0	0	113.1	F67 W71	F67-L69 PolarHBondContact O-N 3.43Å; L69-W71 PolarHBondContact O-N 3.14Å
70	T	69.9	Low	82.2	Confident	69 Å²	69	89.5 Å²	89.5	42%	0.423	48%	0.475	S	S	.	.			trans	-92.7	92.4	178.3	57.4	0	0	0	0	109.1	F67	F67-T70 HydrophobicContact CB-CG2 3.66Å; F67-T70 WeakPolarHBondContact CB-OG1 3.42Å; F67-T70 HydrophobicContact CD2-CG2 4.38Å; F67-T70 HydrophobicContact CG-CG2 4.27Å; F67-T70 PolarHBondContact O-N 3.09Å; F67-T70 PolarHBondContact O-OG1 3.23Å; F67-T70 VanDerWaalsContact O-OG1 3.05Å
71	W	59.7	Low	82.1	Confident	210 Å²	210	91.2 Å²	91.2	80%	0.795	48%	0.478	S	S	*	.			trans	-96.7	122.9	172.9	-54.4	88.3	0	0	0	108.2	P68 L69 N73	P68-W71 PolarHBondContact O-NE1 2.94Å; L69-W71 PolarHBondContact O-N 3.14Å; W71-N73 VanDerWaalsContact C-N 3.29Å; W71-N73 PolarHBondContact O-N 3.23Å
72	N	61.7	Low	82	Confident	162 Å²	162	93.7 Å²	93.7	87%	0.866	48%	0.481	S	S	*	.	S	Bend	trans	53.7	34.5	173	-59.8	-13.9	0	0	0	115.8
73	N	69.4	Low	82	Confident	69 Å²	69	94.3 Å²	94.3	37%	0.369	49%	0.485	S	S	.	.			trans	-105.6	76.7	175.5	-171.5	-1.1	0	0	0	111.1	W71 E75 F76 P77	W71-N73 VanDerWaalsContact C-N 3.29Å; W71-N73 PolarHBondContact O-N 3.23Å; N73-E75 VanDerWaalsContact C-N 3.26Å; N73-E75 PolarHBondContact OD1-N 3.3Å; N73-F76 PolarHBondContact OD1-N 2.9Å; N73-P77 WeakPolarHBondContact O-CD 3.22Å
74	D	74.1	Confident	82.4	Confident	136 Å²	136	94.4 Å²	94.4	73%	0.727	48%	0.479	S	S	*	.			trans	-75.8	-15.8	174.9	-64	-31.5	0	0	0	112.4	A78	D74-A78 WeakPolarHBondContact O-CB 3.46Å; D74-A78 PolarHBondContact O-N 3.35Å
75	E	80.1	Confident	82.6	Confident	126 Å²	126	88.9 Å²	88.9	59%	0.589	46%	0.456	S	S	*	.	H	α-helix	trans	-65.3	-43.8	-178.5	-66.2	-170.7	176.6	0	0	112	N73 A78 L79 Q226	N73-E75 VanDerWaalsContact C-N 3.26Å; N73-E75 PolarHBondContact OD1-N 3.3Å; E75-A78 PolarHBondContact O-N 2.87Å; E75-L79 WeakPolarHBondContact O-CB 3.39Å; E75-L79 PolarHBondContact O-N 3.24Å; E75-Q226 PolarHBondContact OE2-NE2 3.12Å
76	F	83.5	Confident	82.7	Confident	82 Å²	82	85.9 Å²	85.9	36%	0.36	44%	0.442	S	S	.	.	H	α-helix	trans	-71.1	-45.3	-175.8	-166.2	-95.2	0	0	0	113.5	Y62 N73 A78 L79 I80	Y62-F76 HydrophobicContact CD1-CD1 4.46Å; Y62-F76 AromaticContact CE1-CD1 3.54Å; Y62-F76 HydrophobicContact CE1-CD1 3.54Å; Y62-F76 AromaticContact CE1-CE1 3.89Å; Y62-F76 HydrophobicContact CE1-CE1 3.89Å; Y62-F76 HydrophobicContact CE2-CD1 4.31Å; Y62-F76 AromaticContact CE2-CE1 3.82Å; Y62-F76 HydrophobicContact CE2-CE1 3.82Å; Y62-F76 AromaticContact CZ-CD1 3.44Å; Y62-F76 VanDerWaalsContact CZ-CD1 3.44Å; Y62-F76 AromaticContact CZ-CE1 3.41Å; Y62-F76 VanDerWaalsContact CZ-CE1 3.41Å; Y62-F76 VanDerWaalsContact OH-CD1 3.22Å; Y62-F76 WeakPolarHBondContact OH-CD1 3.48Å; Y62-F76 VanDerWaalsContact OH-CE1 3.31Å; Y62-F76 WeakPolarHBondContact OH-CE1 3.36Å; N73-F76 PolarHBondContact OD1-N 2.9Å; F76-A78 VanDerWaalsContact C-N 3.32Å; F76-A78 PolarHBondContact O-N 2.97Å; F76-L79 HydrophobicContact CD2-CD2 4.34Å; F76-L79 WeakPolarHBondContact O-CB 3.39Å; F76-L79 PolarHBondContact O-N 2.92Å; F76-I80 HydrophobicContact CD1-CG1 4.08Å; F76-I80 HydrophobicContact CE1-CD1 4.02Å; F76-I80 HydrophobicContact CE1-CG1 3.76Å; F76-I80 HydrophobicContact CZ-CD1 4.03Å; F76-I80 HydrophobicContact CZ-CG1 4.23Å; F76-I80 WeakPolarHBondContact O-CG1 3.41Å; F76-I80 PolarHBondContact O-N 2.87Å
77	P	87.4	Confident	83.1	Confident	32 Å²	32	79 Å²	79	21%	0.208	41%	0.411	C	S	.	.	H	α-helix	trans	-57.3	-42.6	170.6	-24.5	33.9	0	0	0	112.9	Y62 N73 L79 I80 N81	Y62-P77 HydrophobicContact CE1-CG 4.25Å; N73-P77 WeakPolarHBondContact O-CD 3.22Å; P77-L79 VanDerWaalsContact C-N 3.31Å; P77-L79 PolarHBondContact O-N 2.89Å; P77-I80 PolarHBondContact O-N 3.43Å; P77-N81 WeakPolarHBondContact O-CB 3.25Å; P77-N81 VanDerWaalsContact O-CG 3.24Å; P77-N81 PolarHBondContact O-N 2.91Å; P77-N81 PolarHBondContact O-ND2 3.07Å
78	A	87.1	Confident	83.6	Confident	58 Å²	58	77.3 Å²	77.3	48%	0.479	41%	0.411	S	S	.	.	H	α-helix	trans	-61.5	-40.6	176.4	0	0	0	0	0	111.9	D74 E75 F76 N81 K82	D74-A78 WeakPolarHBondContact O-CB 3.46Å; D74-A78 PolarHBondContact O-N 3.35Å; E75-A78 PolarHBondContact O-N 2.87Å; F76-A78 VanDerWaalsContact C-N 3.32Å; F76-A78 PolarHBondContact O-N 2.97Å; A78-N81 PolarHBondContact O-N 3.24Å; A78-K82 PolarHBondContact O-N 2.85Å
79	L	88.9	Confident	84.2	Confident	24 Å²	24	77.8 Å²	77.8	13%	0.126	40%	0.404	C	S	.	.	H	α-helix	trans	-59.8	-49.1	174.6	174.8	58.9	0	0	0	111.9	E75 F76 P77 N81 K82 F83 F219 V223	E75-L79 WeakPolarHBondContact O-CB 3.39Å; E75-L79 PolarHBondContact O-N 3.24Å; F76-L79 HydrophobicContact CD2-CD2 4.34Å; F76-L79 WeakPolarHBondContact O-CB 3.39Å; F76-L79 PolarHBondContact O-N 2.92Å; P77-L79 VanDerWaalsContact C-N 3.31Å; P77-L79 PolarHBondContact O-N 2.89Å; L79-N81 VanDerWaalsContact C-N 3.32Å; L79-N81 PolarHBondContact O-N 3.28Å; L79-K82 PolarHBondContact O-N 3.06Å; L79-F83 HydrophobicContact CD1-CD2 4.04Å; L79-F83 HydrophobicContact CD1-CE2 3.6Å; L79-F83 HydrophobicContact CG-CD2 4.21Å; L79-F83 HydrophobicContact CG-CE2 3.96Å; L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.28Å; L79-F83 PolarHBondContact O-N 3.49Å; L79-F219 HydrophobicContact CD1-CE2 3.33Å; L79-F219 HydrophobicContact CD1-CZ 3.35Å; L79-V223 HydrophobicContact CD1-CG1 4.43Å; L79-V223 HydrophobicContact CD1-CG2 3.29Å; L79-V223 HydrophobicContact CD2-CG1 4.46Å; L79-V223 HydrophobicContact CD2-CG2 4.41Å; L79-V223 HydrophobicContact CG-CG2 4.48Å
80	I	92.1	Very high	84.9	Confident	24 Å²	24	72.3 Å²	72.3	12%	0.123	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-39.6	177.6	-63.6	-62	0	0	0	111.3	L59 Y62 F76 P77 K82 F83 Q84	L59-I80 HydrophobicContact CB-CG2 4.13Å; L59-I80 HydrophobicContact CD2-CG2 4.27Å; L59-I80 VanDerWaalsContact O-CG2 3.32Å; L59-I80 WeakPolarHBondContact O-CG2 3.3Å; Y62-I80 HydrophobicContact CD1-CB 4.46Å; Y62-I80 HydrophobicContact CD1-CG1 4.21Å; Y62-I80 HydrophobicContact CG-CG1 4.27Å; Y62-I80 HydrophobicContact CG-CG2 4.24Å; F76-I80 HydrophobicContact CD1-CG1 4.08Å; F76-I80 HydrophobicContact CE1-CD1 4.02Å; F76-I80 HydrophobicContact CE1-CG1 3.76Å; F76-I80 HydrophobicContact CZ-CD1 4.03Å; F76-I80 HydrophobicContact CZ-CG1 4.23Å; F76-I80 WeakPolarHBondContact O-CG1 3.41Å; F76-I80 PolarHBondContact O-N 2.87Å; P77-I80 PolarHBondContact O-N 3.43Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.37Å; I80-F83 PolarHBondContact O-N 2.86Å; I80-Q84 WeakPolarHBondContact O-CB 3.42Å; I80-Q84 PolarHBondContact O-N 3.3Å
81	N	91.6	Very high	86.1	Confident	62 Å²	62	69.4 Å²	69.4	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-36.6	176.8	-71	-29.2	0	0	0	112.3	S63 P77 A78 L79 Q84 G85	S63-N81 PolarHBondContact OG-ND2 3.19Å; S63-N81 VanDerWaalsContact OG-ND2 3.13Å; S63-N81 PolarHBondContact OG-OD1 3.17Å; P77-N81 WeakPolarHBondContact O-CB 3.25Å; P77-N81 VanDerWaalsContact O-CG 3.24Å; P77-N81 PolarHBondContact O-N 2.91Å; P77-N81 PolarHBondContact O-ND2 3.07Å; A78-N81 PolarHBondContact O-N 3.24Å; L79-N81 VanDerWaalsContact C-N 3.32Å; L79-N81 PolarHBondContact O-N 3.28Å; N81-Q84 WeakPolarHBondContact O-CB 3.32Å; N81-Q84 PolarHBondContact O-N 3.28Å; N81-G85 PolarHBondContact O-N 2.77Å
82	K	90.3	Very high	87.8	Confident	81 Å²	81	62.3 Å²	62.3	35%	0.352	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-43.3	173.9	-174.4	66.2	176.3	-175.7	0	111.3	A78 L79 I80 G85 T86 F219	A78-K82 PolarHBondContact O-N 2.85Å; L79-K82 PolarHBondContact O-N 3.06Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.37Å; K82-G85 PolarHBondContact O-N 3.3Å; K82-T86 PolarHBondContact O-N 2.93Å; K82-T86 VanDerWaalsContact O-N 3.16Å; K82-T86 PolarHBondContact O-OG1 2.71Å; K82-F219 HydrophobicContact CB-CE2 3.87Å; K82-F219 HydrophobicContact CB-CZ 3.94Å; K82-F219 HydrophobicContact CG-CD2 4.04Å; K82-F219 HydrophobicContact CG-CE1 4.2Å; K82-F219 HydrophobicContact CG-CE2 3.65Å; K82-F219 HydrophobicContact CG-CG 4.46Å; K82-F219 HydrophobicContact CG-CZ 3.72Å
83	F	91.9	Very high	89.4	Confident	71 Å²	71	56.7 Å²	56.7	31%	0.311	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-44	173	-79.7	-67.6	0	0	0	112.1	L59 L79 I80 G85 T86 V87 F219 V223	L59-F83 HydrophobicContact CD1-CB 4.44Å; L79-F83 HydrophobicContact CD1-CD2 4.04Å; L79-F83 HydrophobicContact CD1-CE2 3.6Å; L79-F83 HydrophobicContact CG-CD2 4.21Å; L79-F83 HydrophobicContact CG-CE2 3.96Å; L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.28Å; L79-F83 PolarHBondContact O-N 3.49Å; I80-F83 PolarHBondContact O-N 2.86Å; F83-G85 VanDerWaalsContact C-N 3.31Å; F83-G85 PolarHBondContact O-N 3.39Å; F83-T86 PolarHBondContact O-N 3.49Å; F83-V87 WeakPolarHBondContact O-CB 3.19Å; F83-V87 VanDerWaalsContact O-CG2 3.23Å; F83-V87 WeakPolarHBondContact O-CG2 3.27Å; F83-V87 PolarHBondContact O-N 3.07Å; F83-F219 HydrophobicContact CD1-CE1 4.44Å; F83-F219 HydrophobicContact CD2-CZ 4.14Å; F83-F219 HydrophobicContact CE1-CE1 4.01Å; F83-F219 HydrophobicContact CE1-CZ 4.42Å; F83-F219 HydrophobicContact CE2-CE1 4.25Å; F83-F219 AromaticContact CE2-CZ 3.89Å; F83-F219 HydrophobicContact CE2-CZ 3.89Å; F83-F219 AromaticContact CZ-CE1 3.91Å; F83-F219 HydrophobicContact CZ-CE1 3.91Å; F83-F219 HydrophobicContact CZ-CZ 4.02Å; F83-V223 HydrophobicContact CE2-CG1 4.46Å; F83-V223 HydrophobicContact CZ-CG1 4.29Å
84	Q	95.3	Very high	90.7	Very high	57 Å²	57	55 Å²	55	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-56.3	-45.8	177.9	178.8	-86	-39.2	0	0	111.7	S56 L59 I80 N81 V87 A88	S56-Q84 WeakPolarHBondContact O-CG 3.25Å; S56-Q84 WeakPolarHBondContact OG-CG 3.32Å; S56-Q84 PolarHBondContact OG-NE2 2.91Å; S56-Q84 PolarHBondContact OG-O 2.95Å; L59-Q84 HydrophobicContact CB-CB 3.85Å; L59-Q84 HydrophobicContact CB-CG 4.2Å; I80-Q84 WeakPolarHBondContact O-CB 3.42Å; I80-Q84 PolarHBondContact O-N 3.3Å; N81-Q84 WeakPolarHBondContact O-CB 3.32Å; N81-Q84 PolarHBondContact O-N 3.28Å; Q84-V87 PolarHBondContact O-N 2.73Å; Q84-A88 WeakPolarHBondContact O-CB 3.33Å; Q84-A88 PolarHBondContact O-N 3.17Å
85	G	92.8	Very high	91.8	Very high	26 Å²	26	52.2 Å²	52.2	27%	0.268	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-49.3	177.4	0	0	0	0	0	112.7	N81 K82 F83 V87 A88 E89	N81-G85 PolarHBondContact O-N 2.77Å; K82-G85 PolarHBondContact O-N 3.3Å; F83-G85 VanDerWaalsContact C-N 3.31Å; F83-G85 PolarHBondContact O-N 3.39Å; G85-V87 VanDerWaalsContact C-N 3.34Å; G85-V87 PolarHBondContact O-N 3.12Å; G85-A88 WeakPolarHBondContact O-CB 3.44Å; G85-A88 PolarHBondContact O-N 3.07Å; G85-A88 VanDerWaalsContact O-N 3.16Å; G85-E89 PolarHBondContact O-N 2.96Å
86	T	90.7	Very high	92.5	Very high	27 Å²	27	49.6 Å²	49.6	17%	0.166	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-39.9	178.4	-55.5	0	0	0	0	112.3	K82 F83 E89 L90 L210	K82-T86 PolarHBondContact O-N 2.93Å; K82-T86 VanDerWaalsContact O-N 3.16Å; K82-T86 PolarHBondContact O-OG1 2.71Å; F83-T86 PolarHBondContact O-N 3.49Å; T86-E89 PolarHBondContact O-N 2.99Å; T86-L90 HydrophobicContact CG2-CD1 4.43Å; T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 3.35Å; T86-L90 VanDerWaalsContact O-N 3.1Å; T86-L210 HydrophobicContact CG2-CD2 4.45Å
87	V	94.2	Very high	93.1	Very high	21 Å²	21	46 Å²	46	13%	0.127	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-39.8	175.1	171.3	0	0	0	0	110.8	M52 L55 L59 F83 Q84 G85 L90 G91	M52-V87 HydrophobicContact CG-CG1 3.84Å; M52-V87 VanDerWaalsContact CG-O 3.23Å; M52-V87 WeakPolarHBondContact CG-O 3.16Å; M52-V87 WeakPolarHBondContact O-CG1 3.37Å; M52-V87 HydrophobicContact SD-CG1 3.62Å; L55-V87 HydrophobicContact CB-CG1 4.24Å; L55-V87 HydrophobicContact CD2-CG1 4.13Å; L55-V87 HydrophobicContact CG-CG1 4.1Å; L59-V87 HydrophobicContact CD1-CG2 4.3Å; F83-V87 WeakPolarHBondContact O-CB 3.19Å; F83-V87 VanDerWaalsContact O-CG2 3.23Å; F83-V87 WeakPolarHBondContact O-CG2 3.27Å; F83-V87 PolarHBondContact O-N 3.07Å; Q84-V87 PolarHBondContact O-N 2.73Å; G85-V87 VanDerWaalsContact C-N 3.34Å; G85-V87 PolarHBondContact O-N 3.12Å; V87-L90 PolarHBondContact O-N 3.47Å; V87-G91 PolarHBondContact O-N 3.06Å
88	A	95.3	Very high	93.6	Very high	36 Å²	36	44.6 Å²	44.6	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-61.4	-45.7	176.2	0	0	0	0	0	112	S56 Q84 G85 G91 S92	S56-A88 WeakPolarHBondContact OG-CB 3.38Å; Q84-A88 WeakPolarHBondContact O-CB 3.33Å; Q84-A88 PolarHBondContact O-N 3.17Å; G85-A88 WeakPolarHBondContact O-CB 3.44Å; G85-A88 PolarHBondContact O-N 3.07Å; G85-A88 VanDerWaalsContact O-N 3.16Å; A88-G91 PolarHBondContact O-N 3.46Å; A88-S92 PolarHBondContact O-N 3.31Å
89	E	93.1	Very high	94.1	Very high	107 Å²	107	45.8 Å²	45.8	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-46.5	178.8	-73.5	-177.6	178.4	0	0	111.7	G85 T86 G91 S92 W93	G85-E89 PolarHBondContact O-N 2.96Å; T86-E89 PolarHBondContact O-N 2.99Å; E89-G91 VanDerWaalsContact C-N 3.28Å; E89-G91 PolarHBondContact O-N 3.22Å; E89-S92 WeakPolarHBondContact O-CB 3.43Å; E89-S92 PolarHBondContact O-N 3.46Å; E89-S92 VanDerWaalsContact O-N 3.08Å; E89-S92 PolarHBondContact O-OG 3.24Å; E89-W93 HydrophobicContact CB-CH2 4.36Å; E89-W93 HydrophobicContact CB-CZ2 3.95Å; E89-W93 PolarHBondContact O-N 3.07Å
90	L	93.6	Very high	94.4	Very high	39 Å²	39	49.2 Å²	49.2	20%	0.204	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-43.4	174.4	-74	166.1	0	0	0	111.8	M52 T86 V87 S92 W93 M94 L210	M52-L90 HydrophobicContact CE-CB 3.84Å; M52-L90 HydrophobicContact CE-CD1 4.22Å; M52-L90 HydrophobicContact CG-CB 4.42Å; T86-L90 HydrophobicContact CG2-CD1 4.43Å; T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 3.35Å; T86-L90 VanDerWaalsContact O-N 3.1Å; V87-L90 PolarHBondContact O-N 3.47Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.02Å; L90-W93 HydrophobicContact CD2-CE3 3.81Å; L90-W93 HydrophobicContact CD2-CH2 4.45Å; L90-W93 HydrophobicContact CD2-CZ3 3.46Å; L90-W93 VanDerWaalsContact CD2-CZ3 3.46Å; L90-W93 HydrophobicContact CG-CZ3 4.14Å; L90-W93 PolarHBondContact O-N 2.98Å; L90-M94 WeakPolarHBondContact O-CG 3.41Å; L90-M94 PolarHBondContact O-N 2.92Å; L90-M94 VanDerWaalsContact O-N 3.12Å; L90-L210 HydrophobicContact CD2-CD1 4.38Å
91	G	95.6	Very high	94.7	Very high	7 Å²	7	48.1 Å²	48.1	7%	0.072	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-42.6	175.4	0	0	0	0	0	112.1	V87 A88 E89 W93 M94 E95	V87-G91 PolarHBondContact O-N 3.06Å; A88-G91 PolarHBondContact O-N 3.46Å; E89-G91 VanDerWaalsContact C-N 3.28Å; E89-G91 PolarHBondContact O-N 3.22Å; G91-W93 PolarHBondContact O-N 3.15Å; G91-M94 PolarHBondContact O-N 3.42Å; G91-E95 PolarHBondContact O-N 3.17Å
92	S	95.5	Very high	95	Very high	61 Å²	61	49.5 Å²	49.5	43%	0.427	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-37.8	179.4	79.5	0	0	0	0	113.3	A88 E89 L90 E95 L96	A88-S92 PolarHBondContact O-N 3.31Å; E89-S92 WeakPolarHBondContact O-CB 3.43Å; E89-S92 PolarHBondContact O-N 3.46Å; E89-S92 VanDerWaalsContact O-N 3.08Å; E89-S92 PolarHBondContact O-OG 3.24Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.02Å; S92-E95 PolarHBondContact O-N 2.96Å; S92-L96 PolarHBondContact O-N 3.42Å
93	W	95.2	Very high	95.3	Very high	44 Å²	44	50.6 Å²	50.6	17%	0.167	27%	0.265	C	S	.	.	H	α-helix	trans	-72	-36.8	177.1	-52.1	-25.7	0	0	0	111.8	E89 L90 G91 L96 M97 L202 M205 A209	E89-W93 HydrophobicContact CB-CH2 4.36Å; E89-W93 HydrophobicContact CB-CZ2 3.95Å; E89-W93 PolarHBondContact O-N 3.07Å; L90-W93 HydrophobicContact CD2-CE3 3.81Å; L90-W93 HydrophobicContact CD2-CH2 4.45Å; L90-W93 HydrophobicContact CD2-CZ3 3.46Å; L90-W93 VanDerWaalsContact CD2-CZ3 3.46Å; L90-W93 HydrophobicContact CG-CZ3 4.14Å; L90-W93 PolarHBondContact O-N 2.98Å; G91-W93 PolarHBondContact O-N 3.15Å; W93-L96 PolarHBondContact O-N 3.29Å; W93-M97 PolarHBondContact O-N 3.25Å; W93-L202 HydrophobicContact CB-CD1 3.81Å; W93-M205 HydrophobicContact CD2-CB 4.36Å; W93-M205 HydrophobicContact CG-CB 4.46Å; W93-A209 HydrophobicContact CH2-CB 3.16Å; W93-A209 HydrophobicContact CZ2-CB 3.66Å; W93-A209 HydrophobicContact CZ3-CB 3.99Å
94	M	96.3	Very high	95.6	Very high	33 Å²	33	49.3 Å²	49.3	16%	0.163	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-40.9	174.5	-68.6	177.9	-179.4	0	0	111.3	V48 A49 M52 L90 G91 M97 V98 L202	V48-M94 HydrophobicContact CG1-CE 4.35Å; V48-M94 HydrophobicContact CG1-SD 3.63Å; A49-M94 HydrophobicContact CB-CB 3.88Å; M52-M94 HydrophobicContact CE-CE 3.81Å; M52-M94 HydrophobicContact CE-SD 4.07Å; L90-M94 WeakPolarHBondContact O-CG 3.41Å; L90-M94 PolarHBondContact O-N 2.92Å; L90-M94 VanDerWaalsContact O-N 3.12Å; G91-M94 PolarHBondContact O-N 3.42Å; M94-M97 WeakPolarHBondContact O-CB 3.39Å; M94-M97 PolarHBondContact O-N 3.24Å; M94-V98 WeakPolarHBondContact O-CG2 3.4Å; M94-V98 PolarHBondContact O-N 2.87Å; M94-L202 HydrophobicContact CG-CD1 4.33Å
95	E	96.8	Very high	95.7	Very high	78 Å²	78	46.6 Å²	46.6	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-43.5	174.6	-177.8	55.6	-149.8	0	0	111.6	G91 S92 M97 V98 Q99	G91-E95 PolarHBondContact O-N 3.17Å; S92-E95 PolarHBondContact O-N 2.96Å; E95-M97 VanDerWaalsContact C-N 3.27Å; E95-M97 PolarHBondContact O-N 3.22Å; E95-V98 WeakPolarHBondContact O-CB 3.47Å; E95-V98 PolarHBondContact O-N 3.4Å; E95-V98 VanDerWaalsContact O-N 3.13Å; E95-Q99 WeakPolarHBondContact O-CG 3.12Å; E95-Q99 PolarHBondContact O-N 3.33Å
96	L	95.6	Very high	95.9	Very high	71 Å²	71	47 Å²	47	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-39.3	174.1	-175	67.8	0	0	0	111.8	S92 W93 Q99 Q100 M205	S92-L96 PolarHBondContact O-N 3.42Å; W93-L96 PolarHBondContact O-N 3.29Å; L96-Q99 PolarHBondContact O-N 2.98Å; L96-Q100 WeakPolarHBondContact O-CG 3.39Å; L96-Q100 PolarHBondContact O-N 3.31Å; L96-M205 HydrophobicContact CD2-CE 3.94Å; L96-M205 HydrophobicContact CD2-SD 4.42Å
97	M	96.6	Very high	96.2	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-43	174.4	-179.9	-173.2	172.4	0	0	111.6	Q45 W93 M94 E95 Q99 Q100 L101 A198 Y199 L202	Q45-M97 HydrophobicContact CG-CE 4.24Å; Q45-M97 HydrophobicContact CG-SD 4.09Å; W93-M97 PolarHBondContact O-N 3.25Å; M94-M97 WeakPolarHBondContact O-CB 3.39Å; M94-M97 PolarHBondContact O-N 3.24Å; E95-M97 VanDerWaalsContact C-N 3.27Å; E95-M97 PolarHBondContact O-N 3.22Å; M97-Q99 VanDerWaalsContact C-N 3.3Å; M97-Q99 PolarHBondContact O-N 3.41Å; M97-Q100 WeakPolarHBondContact O-CB 3.44Å; M97-Q100 PolarHBondContact O-N 3.1Å; M97-Q100 VanDerWaalsContact O-N 3.14Å; M97-L101 HydrophobicContact CE-CD1 3.78Å; M97-L101 HydrophobicContact CE-CD2 4.45Å; M97-L101 HydrophobicContact CE-CG 4.32Å; M97-L101 HydrophobicContact CG-CD1 4.32Å; M97-L101 HydrophobicContact CG-CG 4.37Å; M97-L101 WeakPolarHBondContact O-CG 3.42Å; M97-L101 PolarHBondContact O-N 3.4Å; M97-A198 HydrophobicContact CE-CB 4.47Å; M97-A198 HydrophobicContact CG-CB 4.29Å; M97-Y199 HydrophobicContact CE-CD1 3.63Å; M97-Y199 HydrophobicContact CE-CD2 3.56Å; M97-Y199 HydrophobicContact CE-CE1 3.39Å; M97-Y199 HydrophobicContact CE-CE2 3.33Å; M97-Y199 HydrophobicContact CE-CG 3.69Å; M97-Y199 HydrophobicContact SD-CD1 4.42Å; M97-Y199 HydrophobicContact SD-CE1 4.31Å; M97-L202 HydrophobicContact SD-CB 4.09Å; M97-L202 HydrophobicContact SD-CD2 3.48Å; M97-L202 WeakPolarHBondContact SD-CD2 2.93Å; M97-L202 HydrophobicContact SD-CG 4.31Å
98	V	98.1	Very high	96.3	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-46.1	176.5	172.9	0	0	0	0	110.3	Q45 A46 A49 M94 E95 Q100 L101 Q102	Q45-V98 HydrophobicContact CB-CG2 4.3Å; Q45-V98 HydrophobicContact CG-CG2 3.82Å; A46-V98 HydrophobicContact CB-CG1 3.93Å; A46-V98 HydrophobicContact CB-CG2 4.19Å; A49-V98 HydrophobicContact CB-CG2 4.17Å; M94-V98 WeakPolarHBondContact O-CG2 3.4Å; M94-V98 PolarHBondContact O-N 2.87Å; E95-V98 WeakPolarHBondContact O-CB 3.47Å; E95-V98 PolarHBondContact O-N 3.4Å; E95-V98 VanDerWaalsContact O-N 3.13Å; V98-Q100 VanDerWaalsContact C-N 3.34Å; V98-Q100 PolarHBondContact O-N 2.94Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-Q102 HydrophobicContact CG1-CG 4.43Å; V98-Q102 WeakPolarHBondContact O-CG 3.3Å; V98-Q102 PolarHBondContact O-N 2.98Å
99	Q	97.2	Very high	96.4	Very high	84 Å²	84	51.1 Å²	51.1	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-41.1	176.3	-66.5	175.1	6.5	0	0	112.3	E95 L96 M97 Q102 N103	E95-Q99 WeakPolarHBondContact O-CG 3.12Å; E95-Q99 PolarHBondContact O-N 3.33Å; L96-Q99 PolarHBondContact O-N 2.98Å; M97-Q99 VanDerWaalsContact C-N 3.3Å; M97-Q99 PolarHBondContact O-N 3.41Å; Q99-Q102 PolarHBondContact O-N 3.02Å; Q99-N103 WeakPolarHBondContact O-CB 3.3Å; Q99-N103 VanDerWaalsContact O-CG 3.31Å; Q99-N103 PolarHBondContact O-N 3.26Å; Q99-N103 PolarHBondContact O-ND2 2.82Å
100	Q	95.8	Very high	96.6	Very high	96 Å²	96	48.2 Å²	48.2	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-43.5	174.4	-72.3	-69.5	-34.8	0	0	111.7	L96 M97 V98 N103 C104 A198	L96-Q100 WeakPolarHBondContact O-CG 3.39Å; L96-Q100 PolarHBondContact O-N 3.31Å; M97-Q100 WeakPolarHBondContact O-CB 3.44Å; M97-Q100 PolarHBondContact O-N 3.1Å; M97-Q100 VanDerWaalsContact O-N 3.14Å; V98-Q100 VanDerWaalsContact C-N 3.34Å; V98-Q100 PolarHBondContact O-N 2.94Å; Q100-N103 PolarHBondContact O-N 3.1Å; Q100-C104 VanDerWaalsContact O-CB 3.25Å; Q100-C104 WeakPolarHBondContact O-CB 3.34Å; Q100-C104 PolarHBondContact O-N 3.13Å; Q100-A198 HydrophobicContact CB-CB 4.48Å
101	L	98	Very high	96.8	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-43.4	177.8	-66.5	176.7	0	0	0	111.8	V42 Q45 M97 V98 N103 V105 L106 I195 A198	V42-L101 HydrophobicContact CG1-CB 4.18Å; V42-L101 HydrophobicContact CG2-CB 3.68Å; V42-L101 HydrophobicContact CG2-CD1 4.18Å; V42-L101 HydrophobicContact CG2-CG 4.47Å; Q45-L101 HydrophobicContact CB-CD1 4.15Å; Q45-L101 HydrophobicContact CG-CD1 4.02Å; M97-L101 HydrophobicContact CE-CD1 3.78Å; M97-L101 HydrophobicContact CE-CD2 4.45Å; M97-L101 HydrophobicContact CE-CG 4.32Å; M97-L101 HydrophobicContact CG-CD1 4.32Å; M97-L101 HydrophobicContact CG-CG 4.37Å; M97-L101 WeakPolarHBondContact O-CG 3.42Å; M97-L101 PolarHBondContact O-N 3.4Å; V98-L101 PolarHBondContact O-N 2.98Å; L101-N103 PolarHBondContact O-N 3.33Å; L101-V105 HydrophobicContact CD2-CG2 3.82Å; L101-V105 WeakPolarHBondContact O-CA 3.31Å; L101-V105 WeakPolarHBondContact O-CB 3.39Å; L101-V105 PolarHBondContact O-N 3.09Å; L101-L106 PolarHBondContact O-N 3.26Å; L101-I195 HydrophobicContact CD2-CG1 4.2Å; L101-A198 HydrophobicContact CD2-CB 3.88Å; L101-A198 HydrophobicContact CG-CB 4.44Å
102	Q	97.6	Very high	96.8	Very high	91 Å²	91	52.1 Å²	52.1	43%	0.425	26%	0.259	S	S	.	.	I	π-helix	trans	-58.7	-47.5	176.3	-72.3	176.2	-8.9	0	0	111.6	V42 V98 Q99 L106 Y107	V42-Q102 HydrophobicContact CG1-CG 3.93Å; V98-Q102 HydrophobicContact CG1-CG 4.43Å; V98-Q102 WeakPolarHBondContact O-CG 3.3Å; V98-Q102 PolarHBondContact O-N 2.98Å; Q99-Q102 PolarHBondContact O-N 3.02Å; Q102-L106 PolarHBondContact O-N 3.27Å; Q102-Y107 PolarHBondContact O-N 2.8Å
103	N	97.1	Very high	96.9	Very high	103 Å²	103	49.6 Å²	49.6	55%	0.551	24%	0.242	S	C	*	.	I	π-helix	trans	-78.2	-37.1	-174	-69.4	-38.9	0	0	0	113.9	Q99 Q100 L101 P108	Q99-N103 WeakPolarHBondContact O-CB 3.3Å; Q99-N103 VanDerWaalsContact O-CG 3.31Å; Q99-N103 PolarHBondContact O-N 3.26Å; Q99-N103 PolarHBondContact O-ND2 2.82Å; Q100-N103 PolarHBondContact O-N 3.1Å; L101-N103 PolarHBondContact O-N 3.33Å; N103-P108 WeakPolarHBondContact O-CD 3.34Å
104	C	96.9	Very high	96.9	Very high	44 Å²	44	51.1 Å²	51.1	30%	0.297	26%	0.259	S	S	.	.	I	π-helix	trans	-106.3	-9	-171.5	-59.7	0	0	0	0	113.8	Q100 S194	Q100-C104 VanDerWaalsContact O-CB 3.25Å; Q100-C104 WeakPolarHBondContact O-CB 3.34Å; Q100-C104 PolarHBondContact O-N 3.13Å; C104-S194 WeakPolarHBondContact O-CB 3.37Å; C104-S194 PolarHBondContact O-OG 2.79Å
105	V	97.7	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-118.3	-60.6	178.7	-174.4	0	0	0	0	110.3	L38 L101 P108 I109 P191 I195	L38-V105 HydrophobicContact CB-CG1 4.35Å; L38-V105 HydrophobicContact CD1-CG1 3.92Å; L38-V105 HydrophobicContact CD2-CG1 3.86Å; L38-V105 HydrophobicContact CG-CG1 4.26Å; L101-V105 HydrophobicContact CD2-CG2 3.82Å; L101-V105 WeakPolarHBondContact O-CA 3.31Å; L101-V105 WeakPolarHBondContact O-CB 3.39Å; L101-V105 PolarHBondContact O-N 3.09Å; V105-P108 WeakPolarHBondContact O-CD 3.47Å; V105-I109 VanDerWaalsContact O-CG2 3.31Å; V105-I109 WeakPolarHBondContact O-CG2 3.27Å; V105-I109 PolarHBondContact O-N 3Å; V105-P191 HydrophobicContact CG1-CB 3.88Å; V105-I195 HydrophobicContact CB-CG1 4.47Å; V105-I195 HydrophobicContact CG1-CD1 4Å; V105-I195 HydrophobicContact CG1-CG1 3.96Å; V105-I195 HydrophobicContact CG2-CG1 3.65Å
106	L	97.8	Very high	96.9	Very high	34 Å²	34	49 Å²	49	18%	0.178	25%	0.246	C	C	.	.	I	π-helix	trans	-70.1	-43.1	-174.9	-63	-172.1	0	0	0	113	L38 E39 V42 L101 Q102 I109 S110	L38-L106 HydrophobicContact CB-CD2 4.04Å; E39-L106 HydrophobicContact CG-CD2 3.97Å; V42-L106 HydrophobicContact CB-CD1 3.87Å; V42-L106 HydrophobicContact CB-CD2 4.45Å; V42-L106 HydrophobicContact CB-CG 4.26Å; V42-L106 HydrophobicContact CG1-CD1 3.79Å; V42-L106 HydrophobicContact CG1-CG 4.41Å; V42-L106 HydrophobicContact CG2-CD1 4.01Å; V42-L106 HydrophobicContact CG2-CD2 3.91Å; V42-L106 HydrophobicContact CG2-CG 3.82Å; L101-L106 PolarHBondContact O-N 3.26Å; Q102-L106 PolarHBondContact O-N 3.27Å; L106-I109 WeakPolarHBondContact O-CG2 3.36Å; L106-S110 VanDerWaalsContact O-CB 3.22Å; L106-S110 WeakPolarHBondContact O-CB 3.48Å; L106-S110 PolarHBondContact O-N 3.47Å; L106-S110 PolarHBondContact O-OG 3.49Å
107	Y	97.2	Very high	96.8	Very high	148 Å²	148	49.2 Å²	49.2	58%	0.58	25%	0.247	S	C	*	.	H	α-helix	trans	-63	-48.7	179.2	171.5	-100.3	0	0	0	112.8	Q102 S110 K111	Q102-Y107 PolarHBondContact O-N 2.8Å; Y107-S110 PolarHBondContact O-N 3.13Å; Y107-K111 WeakPolarHBondContact O-CB 3.31Å; Y107-K111 PolarHBondContact O-N 3.46Å
108	P	96.4	Very high	96.8	Very high	23 Å²	23	53.5 Å²	53.5	15%	0.149	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-43.2	176.8	-27.2	37.5	0	0	0	114.1	N103 V105 K111 F112 P191	N103-P108 WeakPolarHBondContact O-CD 3.34Å; V105-P108 WeakPolarHBondContact O-CD 3.47Å; P108-K111 PolarHBondContact O-N 3.11Å; P108-F112 PolarHBondContact O-N 3.09Å; P108-P191 HydrophobicContact CB-CG 4.5Å
109	I	97.4	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-41.8	179.4	-166	65.9	0	0	0	111.4	T31 L34 Q35 L38 V105 L106 K111 F112 V113 P191	T31-I109 HydrophobicContact CG2-CD1 3.71Å; T31-I109 HydrophobicContact CG2-CG1 4.48Å; L34-I109 HydrophobicContact CD2-CD1 4.17Å; Q35-I109 HydrophobicContact CB-CG1 4.17Å; Q35-I109 HydrophobicContact CG-CG2 4.32Å; L38-I109 HydrophobicContact CD1-CB 4.25Å; L38-I109 HydrophobicContact CD1-CG1 4.18Å; L38-I109 HydrophobicContact CD1-CG2 4.13Å; V105-I109 VanDerWaalsContact O-CG2 3.31Å; V105-I109 WeakPolarHBondContact O-CG2 3.27Å; V105-I109 PolarHBondContact O-N 3Å; L106-I109 WeakPolarHBondContact O-CG2 3.36Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.39Å; I109-F112 PolarHBondContact O-N 3.2Å; I109-F112 VanDerWaalsContact O-N 3.08Å; I109-V113 WeakPolarHBondContact O-CG2 3.29Å; I109-V113 PolarHBondContact O-N 2.9Å; I109-P191 HydrophobicContact CB-CG 4.27Å
110	S	97.4	Very high	96.5	Very high	46 Å²	46	53.6 Å²	53.6	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-40.8	176.9	-59.1	0	0	0	0	111.5	L106 Y107 F112 V113 S114	L106-S110 VanDerWaalsContact O-CB 3.22Å; L106-S110 WeakPolarHBondContact O-CB 3.48Å; L106-S110 PolarHBondContact O-N 3.47Å; L106-S110 PolarHBondContact O-OG 3.49Å; Y107-S110 PolarHBondContact O-N 3.13Å; S110-F112 VanDerWaalsContact C-N 3.32Å; S110-F112 PolarHBondContact O-N 3.49Å; S110-V113 PolarHBondContact O-N 2.97Å; S110-S114 PolarHBondContact O-N 3.33Å
111	K	96.2	Very high	96.5	Very high	118 Å²	118	53 Å²	53	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-63.4	-37.9	174.3	-176.4	177.5	-179.6	177.9	0	111.9	Y107 P108 I109 R115	Y107-K111 WeakPolarHBondContact O-CB 3.31Å; Y107-K111 PolarHBondContact O-N 3.46Å; P108-K111 PolarHBondContact O-N 3.11Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.39Å; K111-R115 PolarHBondContact O-N 3.47Å
112	F	96.8	Very high	96.4	Very high	10 Å²	10	53.6 Å²	53.6	4%	0.044	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-42.1	177.1	-174.6	-125.4	0	0	0	111.8	L27 T31 P108 I109 S110 S114 R115 L116 Q183 R184 L188	L27-F112 HydrophobicContact CD2-CZ 4.27Å; T31-F112 HydrophobicContact CG2-CD1 3.66Å; T31-F112 HydrophobicContact CG2-CE1 3.99Å; P108-F112 PolarHBondContact O-N 3.09Å; I109-F112 PolarHBondContact O-N 3.2Å; I109-F112 VanDerWaalsContact O-N 3.08Å; S110-F112 VanDerWaalsContact C-N 3.32Å; S110-F112 PolarHBondContact O-N 3.49Å; F112-S114 PolarHBondContact O-N 2.89Å; F112-R115 WeakPolarHBondContact O-CB 3.19Å; F112-R115 PolarHBondContact O-N 2.88Å; F112-R115 VanDerWaalsContact O-N 3.13Å; F112-L116 HydrophobicContact CD1-CD1 4.23Å; F112-L116 HydrophobicContact CE1-CD1 3.95Å; F112-L116 HydrophobicContact CE1-CG 4.48Å; F112-L116 HydrophobicContact CZ-CD1 4.31Å; F112-L116 HydrophobicContact CZ-CD2 4.27Å; F112-L116 HydrophobicContact CZ-CG 4.39Å; F112-L116 PolarHBondContact O-N 3.18Å; F112-L116 VanDerWaalsContact O-N 3.12Å; F112-Q183 HydrophobicContact CE2-CB 4.19Å; F112-R184 HydrophobicContact CZ-CB 4.17Å; F112-L188 HydrophobicContact CE1-CD2 4.38Å
113	V	96.9	Very high	96.3	Very high	9 Å²	9	52 Å²	52	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-44.9	174.5	169.6	0	0	0	0	111.5	T31 H32 I109 S110 R115 L116 D117	T31-V113 HydrophobicContact CG2-CG2 3.59Å; H32-V113 WeakPolarHBondContact CE1-CG1 3.4Å; I109-V113 WeakPolarHBondContact O-CG2 3.29Å; I109-V113 PolarHBondContact O-N 2.9Å; S110-V113 PolarHBondContact O-N 2.97Å; V113-R115 PolarHBondContact O-N 3.44Å; V113-R115 VanDerWaalsContact O-N 3.17Å; V113-L116 WeakPolarHBondContact O-CA 3.3Å; V113-L116 VanDerWaalsContact O-CB 3.32Å; V113-L116 WeakPolarHBondContact O-CB 3.47Å; V113-L116 PolarHBondContact O-N 3.03Å; V113-D117 PolarHBondContact O-N 2.79Å
114	S	96.3	Very high	96.3	Very high	76 Å²	76	53.4 Å²	53.4	53%	0.531	27%	0.269	S	S	.	.	H	α-helix	trans	-57.2	-34.5	175.4	177	0	0	0	0	113.4	S110 F112 D117 E118	S110-S114 PolarHBondContact O-N 3.33Å; F112-S114 PolarHBondContact O-N 2.89Å; S114-D117 PolarHBondContact O-N 2.82Å; S114-E118 PolarHBondContact O-N 3.46Å
115	R	95.3	Very high	96.2	Very high	67 Å²	67	54 Å²	54	25%	0.253	27%	0.274	S	S	.	.	H	α-helix	trans	-72.9	-32.2	174.9	-68.7	-177	68.2	144.6	-4.9	112.9	K111 F112 V113 D117 E118 L119 S179 Q183	K111-R115 PolarHBondContact O-N 3.47Å; F112-R115 WeakPolarHBondContact O-CB 3.19Å; F112-R115 PolarHBondContact O-N 2.88Å; F112-R115 VanDerWaalsContact O-N 3.13Å; V113-R115 PolarHBondContact O-N 3.44Å; V113-R115 VanDerWaalsContact O-N 3.17Å; R115-D117 VanDerWaalsContact C-N 3.35Å; R115-E118 PolarHBondContact O-N 3.4Å; R115-L119 PolarHBondContact O-N 3.26Å; R115-L119 VanDerWaalsContact O-N 3.13Å; R115-S179 PolarHBondContact NH2-OG 3.02Å; R115-Q183 VanDerWaalsContact CZ-NE2 3.27Å
116	L	96	Very high	96.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-39.2	173.6	-69.3	173.9	0	0	0	110.9	L27 I28 T31 F112 V113 L119 Q120 I180	L27-L116 HydrophobicContact CD2-CD2 4.21Å; L27-L116 HydrophobicContact CG-CD2 4.41Å; I28-L116 HydrophobicContact CG1-CB 4.06Å; I28-L116 HydrophobicContact CG1-CD1 4.38Å; I28-L116 HydrophobicContact CG1-CD2 4.11Å; I28-L116 HydrophobicContact CG1-CG 4.42Å; T31-L116 HydrophobicContact CG2-CD1 3.87Å; F112-L116 HydrophobicContact CD1-CD1 4.23Å; F112-L116 HydrophobicContact CE1-CD1 3.95Å; F112-L116 HydrophobicContact CE1-CG 4.48Å; F112-L116 HydrophobicContact CZ-CD1 4.31Å; F112-L116 HydrophobicContact CZ-CD2 4.27Å; F112-L116 HydrophobicContact CZ-CG 4.39Å; F112-L116 PolarHBondContact O-N 3.18Å; F112-L116 VanDerWaalsContact O-N 3.12Å; V113-L116 WeakPolarHBondContact O-CA 3.3Å; V113-L116 VanDerWaalsContact O-CB 3.32Å; V113-L116 WeakPolarHBondContact O-CB 3.47Å; V113-L116 PolarHBondContact O-N 3.03Å; L116-L119 WeakPolarHBondContact O-CB 3.4Å; L116-L119 PolarHBondContact O-N 3.06Å; L116-L119 VanDerWaalsContact O-N 3.16Å; L116-Q120 PolarHBondContact O-N 3.35Å; L116-I180 HydrophobicContact CD2-CD1 4.24Å; L116-I180 HydrophobicContact CD2-CG2 3.79Å
117	D	95.1	Very high	96	Very high	74 Å²	74	57.4 Å²	57.4	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-38.8	173.9	-65	-30.5	0	0	0	112.3	H32 V113 S114 R115 L119 Q120 T121	H32-D117 IonicContact NE2-OD1 3.01Å; V113-D117 PolarHBondContact O-N 2.79Å; S114-D117 PolarHBondContact O-N 2.82Å; R115-D117 VanDerWaalsContact C-N 3.35Å; D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 2.82Å; D117-Q120 WeakPolarHBondContact O-CB 3.48Å; D117-Q120 PolarHBondContact O-N 3.1Å; D117-T121 PolarHBondContact O-N 3.21Å; D117-T121 PolarHBondContact O-OG1 3.2Å; D117-T121 VanDerWaalsContact O-OG1 3.08Å
118	E	95.3	Very high	96	Very high	97 Å²	97	52.9 Å²	52.9	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-40.8	171.7	-170.4	-170.9	170.9	0	0	111.2	S114 R115 T121 C122 L176	S114-E118 PolarHBondContact O-N 3.46Å; R115-E118 PolarHBondContact O-N 3.4Å; E118-T121 PolarHBondContact O-N 3.49Å; E118-C122 WeakPolarHBondContact O-CB 3.36Å; E118-C122 PolarHBondContact O-N 3.35Å; E118-L176 HydrophobicContact CB-CD2 4.48Å; E118-L176 HydrophobicContact CG-CD2 4.08Å
119	L	95.4	Very high	96	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-38.4	177.4	-179.3	64.6	0	0	0	112.1	T24 R115 L116 D117 C122 K123 Y173 L176 M177 I180	T24-L119 HydrophobicContact CG2-CD2 3.31Å; T24-L119 HydrophobicContact CG2-CG 4.36Å; R115-L119 PolarHBondContact O-N 3.26Å; R115-L119 VanDerWaalsContact O-N 3.13Å; L116-L119 WeakPolarHBondContact O-CB 3.4Å; L116-L119 PolarHBondContact O-N 3.06Å; L116-L119 VanDerWaalsContact O-N 3.16Å; D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 2.82Å; L119-C122 PolarHBondContact O-N 3.05Å; L119-K123 PolarHBondContact O-N 3.42Å; L119-Y173 HydrophobicContact CD1-CD2 3.64Å; L119-Y173 HydrophobicContact CD1-CE2 3.45Å; L119-Y173 VanDerWaalsContact CD1-CE2 3.45Å; L119-Y173 HydrophobicContact CG-CE2 4.23Å; L119-L176 HydrophobicContact CB-CD2 3.99Å; L119-L176 HydrophobicContact CB-CG 4.27Å; L119-L176 HydrophobicContact CD1-CB 4.14Å; L119-L176 HydrophobicContact CD1-CD2 3.96Å; L119-L176 HydrophobicContact CD1-CG 3.89Å; L119-M177 HydrophobicContact CD1-CB 4.18Å; L119-M177 HydrophobicContact CD2-CG 4.38Å; L119-I180 HydrophobicContact CB-CD1 3.55Å; L119-I180 HydrophobicContact CD1-CD1 4.46Å; L119-I180 HydrophobicContact CD2-CD1 3.43Å; L119-I180 VanDerWaalsContact CD2-CD1 3.43Å; L119-I180 HydrophobicContact CG-CD1 3.98Å
120	Q	94.7	Very high	95.9	Very high	87 Å²	87	52.7 Å²	52.7	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-45.2	175	-163.3	84.4	-24.5	0	0	111	L116 D117 C122 K123 E124	L116-Q120 PolarHBondContact O-N 3.35Å; D117-Q120 WeakPolarHBondContact O-CB 3.48Å; D117-Q120 PolarHBondContact O-N 3.1Å; Q120-C122 VanDerWaalsContact C-N 3.33Å; Q120-C122 PolarHBondContact O-N 3.48Å; Q120-K123 WeakPolarHBondContact O-CB 3.42Å; Q120-K123 PolarHBondContact O-N 3.01Å; Q120-E124 PolarHBondContact O-N 2.82Å
121	T	95.9	Very high	95.8	Very high	82 Å²	82	56.2 Å²	56.2	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-38.7	176	-52.7	0	0	0	0	111.9	D117 E118 K123 E124 S125	D117-T121 PolarHBondContact O-N 3.21Å; D117-T121 PolarHBondContact O-OG1 3.2Å; D117-T121 VanDerWaalsContact O-OG1 3.08Å; E118-T121 PolarHBondContact O-N 3.49Å; T121-K123 VanDerWaalsContact C-N 3.34Å; T121-E124 PolarHBondContact O-N 2.69Å; T121-S125 PolarHBondContact O-N 3.25Å; T121-S125 VanDerWaalsContact O-N 3.12Å; T121-S125 PolarHBondContact O-OG 3.09Å
122	C	95.1	Very high	95.7	Very high	15 Å²	15	53.6 Å²	53.6	10%	0.101	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-36.6	177.1	-162.2	0	0	0	0	112	E118 L119 Q120 S125 Y126 Y173 L176	E118-C122 WeakPolarHBondContact O-CB 3.36Å; E118-C122 PolarHBondContact O-N 3.35Å; L119-C122 PolarHBondContact O-N 3.05Å; Q120-C122 VanDerWaalsContact C-N 3.33Å; Q120-C122 PolarHBondContact O-N 3.48Å; C122-S125 PolarHBondContact O-N 2.73Å; C122-Y126 WeakPolarHBondContact O-CB 3.34Å; C122-Y126 PolarHBondContact O-N 2.93Å; C122-Y173 HydrophobicContact CB-CD2 4.11Å; C122-Y173 VanDerWaalsContact SG-CA 3.56Å; C122-L176 HydrophobicContact CB-CD2 4.15Å
123	K	95.6	Very high	95.6	Very high	58 Å²	58	53.5 Å²	53.5	25%	0.252	28%	0.28	S	S	.	.	H	α-helix	trans	-60.5	-48.2	173.6	-178.9	-179	180	177.1	0	111.5	E21 L119 Q120 T121 S125 Y126 Y127 Y173	E21-K123 WeakPolarHBondContact OE1-CE 3.47Å; E21-K123 IonicContact OE2-NZ 2.95Å; L119-K123 PolarHBondContact O-N 3.42Å; Q120-K123 WeakPolarHBondContact O-CB 3.42Å; Q120-K123 PolarHBondContact O-N 3.01Å; T121-K123 VanDerWaalsContact C-N 3.34Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 2.98Å; K123-Y126 WeakPolarHBondContact O-CB 3.48Å; K123-Y126 PolarHBondContact O-N 3.11Å; K123-Y126 VanDerWaalsContact O-N 3.14Å; K123-Y127 HydrophobicContact CD-CE2 4.39Å; K123-Y127 HydrophobicContact CG-CD2 3.88Å; K123-Y127 HydrophobicContact CG-CE2 3.73Å; K123-Y127 VanDerWaalsContact O-CD2 3.28Å; K123-Y127 WeakPolarHBondContact O-CD2 3.47Å; K123-Y127 PolarHBondContact O-N 3.18Å; K123-Y127 VanDerWaalsContact O-N 3.07Å; K123-Y173 HydrophobicContact CB-CE2 3.66Å; K123-Y173 HydrophobicContact CG-CE1 4.46Å; K123-Y173 HydrophobicContact CG-CE2 4.33Å; K123-Y173 WeakPolarHBondContact CG-OH 3.38Å
124	E	96.6	Very high	95.5	Very high	131 Å²	131	55.8 Å²	55.8	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-59.5	-45.4	178	-68.3	175.5	-178.1	0	0	111.5	Q120 T121 Y126 Y127 A128	Q120-E124 PolarHBondContact O-N 2.82Å; T121-E124 PolarHBondContact O-N 2.69Å; E124-Y126 VanDerWaalsContact C-N 3.28Å; E124-Y126 PolarHBondContact O-N 3.29Å; E124-Y127 PolarHBondContact O-N 3.38Å; E124-A128 WeakPolarHBondContact O-CB 3.41Å; E124-A128 PolarHBondContact O-N 2.94Å
125	S	96.1	Very high	95.4	Very high	57 Å²	57	54.2 Å²	54.2	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-38	175.6	-63.8	0	0	0	0	112.5	T121 C122 K123 A129	T121-S125 PolarHBondContact O-N 3.25Å; T121-S125 VanDerWaalsContact O-N 3.12Å; T121-S125 PolarHBondContact O-OG 3.09Å; C122-S125 PolarHBondContact O-N 2.73Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 2.98Å; S125-A129 WeakPolarHBondContact O-CB 3.45Å; S125-A129 PolarHBondContact O-N 3.41Å
126	Y	95.5	Very high	95.3	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.02	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-47.7	177.1	173.6	-99.9	0	0	0	112	L17 C122 K123 E124 A129 C130 F166 Y173 F174	L17-Y126 HydrophobicContact CD2-CE1 3.69Å; C122-Y126 WeakPolarHBondContact O-CB 3.34Å; C122-Y126 PolarHBondContact O-N 2.93Å; K123-Y126 WeakPolarHBondContact O-CB 3.48Å; K123-Y126 PolarHBondContact O-N 3.11Å; K123-Y126 VanDerWaalsContact O-N 3.14Å; E124-Y126 VanDerWaalsContact C-N 3.28Å; E124-Y126 PolarHBondContact O-N 3.29Å; Y126-A129 PolarHBondContact O-N 3.08Å; Y126-C130 WeakPolarHBondContact O-CB 3.3Å; Y126-C130 PolarHBondContact O-N 3.47Å; Y126-F166 AromaticContact CD2-CE2 3.92Å; Y126-F166 HydrophobicContact CD2-CE2 3.92Å; Y126-F166 HydrophobicContact CE2-CD2 4.3Å; Y126-F166 AromaticContact CE2-CE2 3.37Å; Y126-F166 HydrophobicContact CE2-CE2 3.37Å; Y126-F166 AromaticContact CE2-CZ 3.65Å; Y126-F166 HydrophobicContact CE2-CZ 3.65Å; Y126-F166 AromaticContact CZ-CE2 3.72Å; Y126-F166 AromaticContact CZ-CZ 3.83Å; Y126-Y173 AromaticContact CD1-CD1 3.97Å; Y126-Y173 HydrophobicContact CD1-CD1 3.97Å; Y126-Y173 HydrophobicContact CD1-CE1 4.11Å; Y126-Y173 HydrophobicContact CD2-CD1 4.1Å; Y126-Y173 AromaticContact CG-CD1 3.72Å; Y126-Y173 HydrophobicContact CG-CD1 3.72Å; Y126-Y173 HydrophobicContact CG-CE1 4.28Å; Y126-Y173 HydrophobicContact CG-CG 4.46Å; Y126-F174 HydrophobicContact CE2-CE1 4.36Å; Y126-F174 HydrophobicContact CE2-CZ 4.24Å
127	Y	95.8	Very high	95.2	Very high	101 Å²	101	54.2 Å²	54.2	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-68.9	-36	178.6	-77.5	-74.4	0	0	0	112.6	E21 K123 E124 C130 H131	E21-Y127 VanDerWaalsContact CD-OH 3.27Å; E21-Y127 WeakPolarHBondContact OE1-CE2 3.47Å; E21-Y127 PolarHBondContact OE1-OH 3.45Å; E21-Y127 PolarHBondContact OE2-OH 3.26Å; E21-Y127 VanDerWaalsContact OE2-OH 3.09Å; K123-Y127 HydrophobicContact CD-CE2 4.39Å; K123-Y127 HydrophobicContact CG-CD2 3.88Å; K123-Y127 HydrophobicContact CG-CE2 3.73Å; K123-Y127 VanDerWaalsContact O-CD2 3.28Å; K123-Y127 WeakPolarHBondContact O-CD2 3.47Å; K123-Y127 PolarHBondContact O-N 3.18Å; K123-Y127 VanDerWaalsContact O-N 3.07Å; E124-Y127 PolarHBondContact O-N 3.38Å; Y127-C130 WeakPolarHBondContact O-CB 3.47Å; Y127-C130 PolarHBondContact O-N 2.63Å; Y127-H131 PolarHBondContact O-N 3.38Å
128	A	97.2	Very high	95.1	Very high	53 Å²	53	55.5 Å²	55.5	44%	0.438	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-48.6	172.3	0	0	0	0	0	111.4	E124 C130 H131 D132	E124-A128 WeakPolarHBondContact O-CB 3.41Å; E124-A128 PolarHBondContact O-N 2.94Å; A128-C130 VanDerWaalsContact C-N 3.27Å; A128-C130 PolarHBondContact O-N 2.98Å; A128-H131 WeakPolarHBondContact O-CB 3.48Å; A128-H131 PolarHBondContact O-N 2.87Å; A128-H131 VanDerWaalsContact O-N 3.16Å; A128-D132 PolarHBondContact O-N 2.88Å
129	A	95.8	Very high	94.9	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-32.2	176.8	0	0	0	0	0	112.8	S125 Y126 L133 F166 V169	S125-A129 WeakPolarHBondContact O-CB 3.45Å; S125-A129 PolarHBondContact O-N 3.41Å; Y126-A129 PolarHBondContact O-N 3.08Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.44Å; A129-L133 VanDerWaalsContact O-N 3.09Å; A129-F166 HydrophobicContact CB-CB 4.37Å; A129-F166 HydrophobicContact CB-CD2 4.23Å; A129-V169 HydrophobicContact CB-CB 4.45Å; A129-V169 HydrophobicContact CB-CG2 4.46Å
130	C	94	Very high	94.6	Very high	14 Å²	14	58.4 Å²	58.4	10%	0.095	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-44.1	173.3	-171	0	0	0	0	111.5	Y9 Y126 Y127 A128 L133 N134 F166	Y9-C130 PolarHBondContact OH-SG 2.85Å; Y126-C130 WeakPolarHBondContact O-CB 3.3Å; Y126-C130 PolarHBondContact O-N 3.47Å; Y127-C130 WeakPolarHBondContact O-CB 3.47Å; Y127-C130 PolarHBondContact O-N 2.63Å; A128-C130 VanDerWaalsContact C-N 3.27Å; A128-C130 PolarHBondContact O-N 2.98Å; C130-L133 PolarHBondContact O-N 3.46Å; C130-N134 PolarHBondContact O-N 3.31Å; C130-N134 PolarHBondContact O-ND2 3.01Å; C130-F166 HydrophobicContact CB-CD2 4.04Å; C130-F166 HydrophobicContact CB-CE2 3.67Å
131	H	95.7	Very high	94.4	Very high	120 Å²	120	57.9 Å²	57.9	56%	0.556	31%	0.311	S	S	*	.	H	α-helix	trans	-62.5	-48.5	176.3	-178.2	73.6	0	0	0	111.6	Y127 A128 L133 N134 C135	Y127-H131 PolarHBondContact O-N 3.38Å; A128-H131 WeakPolarHBondContact O-CB 3.48Å; A128-H131 PolarHBondContact O-N 2.87Å; A128-H131 VanDerWaalsContact O-N 3.16Å; H131-L133 VanDerWaalsContact C-N 3.28Å; H131-L133 PolarHBondContact O-N 2.94Å; H131-N134 PolarHBondContact O-N 3.36Å; H131-N134 VanDerWaalsContact O-N 3.12Å; H131-C135 PolarHBondContact NE2-SG 3.39Å; H131-C135 PolarHBondContact O-N 3.1Å
132	D	95.4	Very high	94.2	Very high	64 Å²	64	61.7 Å²	61.7	34%	0.342	32%	0.32	S	S	.	.	H	α-helix	trans	-56.3	-43.1	177.1	-72.1	-10.7	0	0	0	111.9	A128 C135 S136 R165	A128-D132 PolarHBondContact O-N 2.88Å; D132-C135 PolarHBondContact O-N 3.44Å; D132-S136 PolarHBondContact O-N 2.94Å; D132-S136 PolarHBondContact O-OG 3.46Å; D132-R165 IonicContact OD2-NH1 3.41Å; D132-R165 PolarHBondContact OD2-NH1 3.23Å
133	L	94.8	Very high	93.9	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177.1	178	61.4	0	0	0	112.2	A129 C130 H131 C135 S136 L137 Y159 R163 F166	A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.44Å; A129-L133 VanDerWaalsContact O-N 3.09Å; C130-L133 PolarHBondContact O-N 3.46Å; H131-L133 VanDerWaalsContact C-N 3.28Å; H131-L133 PolarHBondContact O-N 2.94Å; L133-C135 VanDerWaalsContact C-N 3.34Å; L133-S136 PolarHBondContact O-N 2.95Å; L133-S136 PolarHBondContact O-OG 3.02Å; L133-L137 VanDerWaalsContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 PolarHBondContact O-N 3.21Å; L133-Y159 HydrophobicContact CD1-CD2 3.82Å; L133-Y159 HydrophobicContact CD1-CE2 3.45Å; L133-Y159 VanDerWaalsContact CD1-CE2 3.45Å; L133-Y159 HydrophobicContact CG-CE2 4.45Å; L133-R163 HydrophobicContact CD1-CB 3.79Å; L133-R163 HydrophobicContact CD1-CG 4.48Å; L133-F166 HydrophobicContact CB-CB 4.42Å; L133-F166 HydrophobicContact CD2-CB 3.94Å; L133-F166 HydrophobicContact CD2-CD1 3.59Å; L133-F166 HydrophobicContact CD2-CE1 4.26Å; L133-F166 HydrophobicContact CD2-CG 3.79Å
134	N	93.7	Very high	93.6	Very high	58 Å²	58	63.8 Å²	63.8	31%	0.31	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-39.3	177.4	-74.2	-46.4	0	0	0	111.2	Y9 C130 H131 L137 M138	Y9-N134 PolarHBondContact OH-ND2 3.5Å; C130-N134 PolarHBondContact O-N 3.31Å; C130-N134 PolarHBondContact O-ND2 3.01Å; H131-N134 PolarHBondContact O-N 3.36Å; H131-N134 VanDerWaalsContact O-N 3.12Å; N134-L137 PolarHBondContact O-N 3.39Å; N134-M138 WeakPolarHBondContact O-CB 3.39Å; N134-M138 VanDerWaalsContact O-CG 3.27Å; N134-M138 WeakPolarHBondContact O-CG 2.91Å; N134-M138 PolarHBondContact O-N 2.85Å
135	C	95.2	Very high	93.1	Very high	43 Å²	43	69.9 Å²	69.9	29%	0.291	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-46.4	175.4	-76.7	0	0	0	0	112.4	H131 D132 L133 M138 R139	H131-C135 PolarHBondContact NE2-SG 3.39Å; H131-C135 PolarHBondContact O-N 3.1Å; D132-C135 PolarHBondContact O-N 3.44Å; L133-C135 VanDerWaalsContact C-N 3.34Å; C135-M138 PolarHBondContact O-N 3.07Å; C135-R139 WeakPolarHBondContact O-CG 3.14Å; C135-R139 PolarHBondContact O-N 3.43Å; C135-R139 VanDerWaalsContact O-N 3.14Å
136	S	93	Very high	92.8	Very high	1 Å²	1	76.6 Å²	76.6	1%	0.007	38%	0.378	C	S	.	.	H	α-helix	trans	-69	-36.8	177	61.4	0	0	0	0	112.3	D132 L133 M138 R139 V140 S162	D132-S136 PolarHBondContact O-N 2.94Å; D132-S136 PolarHBondContact O-OG 3.46Å; L133-S136 PolarHBondContact O-N 2.95Å; L133-S136 PolarHBondContact O-OG 3.02Å; S136-M138 PolarHBondContact O-N 3.42Å; S136-R139 PolarHBondContact O-N 2.96Å; S136-V140 WeakPolarHBondContact O-CG2 3.46Å; S136-V140 PolarHBondContact O-N 3.46Å; S136-S162 WeakPolarHBondContact OG-CB 3.39Å; S136-S162 PolarHBondContact OG-OG 2.8Å; S136-S162 VanDerWaalsContact OG-OG 3.11Å
137	L	93.5	Very high	92.4	Very high	66 Å²	66	79.3 Å²	79.3	35%	0.346	39%	0.391	S	S	.	.	H	α-helix	trans	-58.4	-47.8	172.4	177.3	62.4	0	0	0	111.6	L133 N134 R139 V140 A141 Y159	L133-L137 VanDerWaalsContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 PolarHBondContact O-N 3.21Å; N134-L137 PolarHBondContact O-N 3.39Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.18Å; L137-V140 PolarHBondContact O-N 2.79Å; L137-A141 VanDerWaalsContact O-CB 3.29Å; L137-A141 WeakPolarHBondContact O-CB 3.17Å; L137-A141 PolarHBondContact O-N 3.32Å; L137-Y159 HydrophobicContact CB-CD2 4.07Å; L137-Y159 HydrophobicContact CB-CE2 3.8Å; L137-Y159 HydrophobicContact CD1-CD2 4.47Å; L137-Y159 HydrophobicContact CD1-CE2 3.84Å; L137-Y159 HydrophobicContact CG-CE2 4.35Å
138	M	93	Very high	92.1	Very high	100 Å²	100	78.3 Å²	78.3	49%	0.493	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-32.8	179.8	-71.5	-56.8	-64.8	0	0	112.4	N134 C135 S136 K142	N134-M138 WeakPolarHBondContact O-CB 3.39Å; N134-M138 VanDerWaalsContact O-CG 3.27Å; N134-M138 WeakPolarHBondContact O-CG 2.91Å; N134-M138 PolarHBondContact O-N 2.85Å; C135-M138 PolarHBondContact O-N 3.07Å; S136-M138 PolarHBondContact O-N 3.42Å; M138-K142 WeakPolarHBondContact O-CB 3.42Å; M138-K142 WeakPolarHBondContact O-CG 3.35Å; M138-K142 PolarHBondContact O-N 3.3Å
139	R	90.5	Very high	91.7	Very high	132 Å²	132	79.8 Å²	79.8	50%	0.498	41%	0.409	S	S	.	.	H	α-helix	trans	-66	-48.8	173.4	-72.4	-177.7	-128.5	153.3	-0.8	111.3	C135 S136 L137 A141 K142 L143 E158	C135-R139 WeakPolarHBondContact O-CG 3.14Å; C135-R139 PolarHBondContact O-N 3.43Å; C135-R139 VanDerWaalsContact O-N 3.14Å; S136-R139 PolarHBondContact O-N 2.96Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.18Å; R139-A141 VanDerWaalsContact C-N 3.35Å; R139-A141 PolarHBondContact O-N 3.05Å; R139-K142 PolarHBondContact O-N 2.92Å; R139-L143 PolarHBondContact O-N 2.93Å; R139-E158 IonicContact CZ-OE1 3.32Å; R139-E158 IonicContact CZ-OE2 2.73Å; R139-E158 IonicContact NH1-OE1 3.95Å; R139-E158 PolarHBondContact NH1-OE1 3.23Å; R139-E158 IonicContact NH1-OE2 3.63Å; R139-E158 PolarHBondContact NH1-OE2 2.85Å; R139-E158 IonicContact NH2-OE1 2.65Å
140	V	89.4	Confident	91.5	Very high	29 Å²	29	86.5 Å²	86.5	18%	0.176	44%	0.437	C	S	.	.	H	α-helix	trans	-61.5	-43.2	177.4	173.8	0	0	0	0	111.4	S136 L137 K142 L143 G155 N156 Y159	S136-V140 WeakPolarHBondContact O-CG2 3.46Å; S136-V140 PolarHBondContact O-N 3.46Å; L137-V140 PolarHBondContact O-N 2.79Å; V140-K142 VanDerWaalsContact C-N 3.26Å; V140-K142 PolarHBondContact O-N 3.39Å; V140-L143 WeakPolarHBondContact O-CB 3.41Å; V140-L143 PolarHBondContact O-N 3.45Å; V140-G155 VanDerWaalsContact CG2-C 3.44Å; V140-G155 WeakPolarHBondContact CG2-O 3.37Å; V140-N156 WeakPolarHBondContact CG1-OD1 3.44Å; V140-Y159 HydrophobicContact CG2-CG 4.45Å
141	A	90.7	Very high	91.3	Very high	76 Å²	76	90.2 Å²	90.2	63%	0.628	45%	0.452	S	S	*	.	H	α-helix	trans	-65.4	-26.1	-179.4	0	0	0	0	0	113.8	L137 R139	L137-A141 VanDerWaalsContact O-CB 3.29Å; L137-A141 WeakPolarHBondContact O-CB 3.17Å; L137-A141 PolarHBondContact O-N 3.32Å; R139-A141 VanDerWaalsContact C-N 3.35Å; R139-A141 PolarHBondContact O-N 3.05Å
142	K	92	Very high	91	Very high	161 Å²	161	86.9 Å²	86.9	70%	0.7	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.8	179.3	-73.9	176.4	-179.2	-176.9	0	113.9	M138 R139 V140 S144	M138-K142 WeakPolarHBondContact O-CB 3.42Å; M138-K142 WeakPolarHBondContact O-CG 3.35Å; M138-K142 PolarHBondContact O-N 3.3Å; R139-K142 PolarHBondContact O-N 2.92Å; V140-K142 VanDerWaalsContact C-N 3.26Å; V140-K142 PolarHBondContact O-N 3.39Å; K142-S144 PolarHBondContact O-N 3.08Å
143	L	89	Confident	90.8	Very high	50 Å²	50	90.6 Å²	90.6	26%	0.262	46%	0.455	S	S	.	.			trans	-61.5	128.1	178.5	-71.5	170.5	0	0	0	110.5	R139 V140 E147	R139-L143 PolarHBondContact O-N 2.93Å; V140-L143 WeakPolarHBondContact O-CB 3.41Å; V140-L143 PolarHBondContact O-N 3.45Å; L143-E147 HydrophobicContact CD2-CG 4.32Å
144	S	88.2	Confident	90.7	Very high	68 Å²	68	95.3 Å²	95.3	48%	0.476	48%	0.477	S	S	.	.			trans	-70.5	148.3	176.5	174	0	0	0	0	110.7	K142 K146 E147	K142-S144 PolarHBondContact O-N 3.08Å; S144-K146 PolarHBondContact O-N 3.23Å; S144-K146 PolarHBondContact OG-N 3.16Å; S144-E147 WeakPolarHBondContact O-CB 3.38Å; S144-E147 WeakPolarHBondContact O-CG 3.43Å; S144-E147 PolarHBondContact O-N 3.46Å; S144-E147 VanDerWaalsContact O-N 3.1Å
145	R	86.9	Confident	90.6	Very high	258 Å²	258	93.2 Å²	93.2	97%	0.974	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.6	174.6	-67.4	-175.5	178.8	-178.2	-0.1	113.8
146	K	89.5	Confident	90.4	Very high	199 Å²	199	94.9 Å²	94.9	87%	0.865	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.5	-179.5	-60.7	-177.1	-179.8	-179.3	0	113.9	S144	S144-K146 PolarHBondContact O-N 3.23Å; S144-K146 PolarHBondContact OG-N 3.16Å
147	E	87.2	Confident	90.5	Very high	62 Å²	62	97.7 Å²	97.7	29%	0.29	50%	0.499	S	S	.	.	S	Bend	trans	-66	145	-178.2	-70.7	-76.4	-164.2	0	0	111.7	L143 S144 K151 V152	L143-E147 HydrophobicContact CD2-CG 4.32Å; S144-E147 WeakPolarHBondContact O-CB 3.38Å; S144-E147 WeakPolarHBondContact O-CG 3.43Å; S144-E147 PolarHBondContact O-N 3.46Å; S144-E147 VanDerWaalsContact O-N 3.1Å; E147-K151 VanDerWaalsContact CD-NZ 3.26Å; E147-K151 IonicContact OE1-NZ 3.88Å; E147-K151 PolarHBondContact OE1-NZ 2.89Å; E147-K151 WeakPolarHBondContact OE2-CD 3.35Å; E147-K151 IonicContact OE2-NZ 2.86Å; E147-K151 PolarHBondContact OE2-NZ 2.87Å; E147-K151 VanDerWaalsContact OE2-NZ 3.09Å; E147-V152 HydrophobicContact CB-CG2 4.08Å
148	P	89.7	Confident	90.5	Very high	80 Å²	80	98.8 Å²	98.8	52%	0.519	50%	0.502	S	S	.	.			trans	-64.3	144	179.1	26.9	-31.5	0	0	0	110.5	K150 K151 V152	P148-K150 PolarHBondContact O-N 2.98Å; P148-K150 VanDerWaalsContact O-N 3.08Å; P148-K151 HydrophobicContact CG-CB 4.08Å; P148-K151 PolarHBondContact O-N 3.46Å; P148-V152 PolarHBondContact O-N 3.46Å
149	A	88.6	Confident	90.6	Very high	84 Å²	84	96.2 Å²	96.2	69%	0.694	49%	0.487	S	S	*	.	H	α-helix	trans	-51	-40	-174.4	0	0	0	0	0	113.2	K151 V152 E153	A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 2.89Å; A149-V152 PolarHBondContact O-N 2.8Å; A149-E153 PolarHBondContact O-N 3.16Å
150	K	91.5	Very high	90.7	Very high	144 Å²	144	91 Å²	91	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-57.6	-42.7	177.8	-169.8	-177.5	-178.9	-168.8	0	113	P148 E153 E154	P148-K150 PolarHBondContact O-N 2.98Å; P148-K150 VanDerWaalsContact O-N 3.08Å; K150-E153 WeakPolarHBondContact O-CB 2.76Å; K150-E153 PolarHBondContact O-N 3.48Å; K150-E154 WeakPolarHBondContact CE-OE1 3.25Å; K150-E154 IonicContact NZ-OE1 3.98Å; K150-E154 WeakPolarHBondContact O-CG 3.24Å; K150-E154 PolarHBondContact O-N 2.74Å
151	K	89.2	Confident	91	Very high	93 Å²	93	91.8 Å²	91.8	40%	0.404	48%	0.484	S	S	.	.	H	α-helix	trans	-71.2	-34.1	-179.3	-167.2	-175.4	-177	-175.6	0	111.8	E147 P148 A149 G155	E147-K151 VanDerWaalsContact CD-NZ 3.26Å; E147-K151 IonicContact OE1-NZ 3.88Å; E147-K151 PolarHBondContact OE1-NZ 2.89Å; E147-K151 WeakPolarHBondContact OE2-CD 3.35Å; E147-K151 IonicContact OE2-NZ 2.86Å; E147-K151 PolarHBondContact OE2-NZ 2.87Å; E147-K151 VanDerWaalsContact OE2-NZ 3.09Å; P148-K151 HydrophobicContact CG-CB 4.08Å; P148-K151 PolarHBondContact O-N 3.46Å; A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 2.89Å; K151-G155 PolarHBondContact O-N 2.88Å
152	V	90.4	Very high	91.2	Very high	50 Å²	50	89.1 Å²	89.1	30%	0.303	46%	0.461	S	S	.	.	H	α-helix	trans	-66.6	-40.8	173.1	179	0	0	0	0	110.7	E147 P148 A149 N156	E147-V152 HydrophobicContact CB-CG2 4.08Å; P148-V152 PolarHBondContact O-N 3.46Å; A149-V152 PolarHBondContact O-N 2.8Å; V152-N156 WeakPolarHBondContact O-CB 3.41Å; V152-N156 PolarHBondContact O-N 2.83Å; V152-N156 PolarHBondContact O-ND2 3.35Å
153	E	91.3	Very high	91.3	Very high	141 Å²	141	86.4 Å²	86.4	66%	0.659	45%	0.446	S	S	*	.	H	α-helix	trans	-63.8	-47.7	175.6	-172.1	177.9	-176.1	0	0	111.8	A149 K150 G155 N156 A157	A149-E153 PolarHBondContact O-N 3.16Å; K150-E153 WeakPolarHBondContact O-CB 2.76Å; K150-E153 PolarHBondContact O-N 3.48Å; E153-G155 PolarHBondContact O-N 3.41Å; E153-N156 PolarHBondContact O-N 2.8Å; E153-A157 WeakPolarHBondContact O-CB 3.22Å; E153-A157 PolarHBondContact O-N 2.74Å
154	E	91.9	Very high	91.6	Very high	107 Å²	107	92.5 Å²	92.5	50%	0.5	47%	0.466	S	S	.	.	H	α-helix	trans	-58.6	-46.7	177	-74.3	169.2	-177.3	0	0	112.1	K150 N156 A157 E158	K150-E154 WeakPolarHBondContact CE-OE1 3.25Å; K150-E154 IonicContact NZ-OE1 3.98Å; K150-E154 WeakPolarHBondContact O-CG 3.24Å; K150-E154 PolarHBondContact O-N 2.74Å; E154-N156 PolarHBondContact O-N 2.69Å; E154-A157 PolarHBondContact O-N 3.01Å; E154-E158 PolarHBondContact O-N 3.1Å
155	G	91.2	Very high	91.9	Very high	14 Å²	14	96.6 Å²	96.6	14%	0.144	47%	0.471	C	S	.	.	H	α-helix	trans	-62	-42.7	176.9	0	0	0	0	0	112.8	V140 K151 E153 E158 Y159	V140-G155 VanDerWaalsContact CG2-C 3.44Å; V140-G155 WeakPolarHBondContact CG2-O 3.37Å; K151-G155 PolarHBondContact O-N 2.88Å; E153-G155 PolarHBondContact O-N 3.41Å; G155-E158 PolarHBondContact O-N 3.38Å; G155-Y159 PolarHBondContact O-N 2.85Å
156	N	92.6	Very high	92.2	Very high	78 Å²	78	84.8 Å²	84.8	42%	0.417	43%	0.426	S	S	.	.	H	α-helix	trans	-66.6	-36.6	176.2	-78.8	-44.2	0	0	0	112.5	V140 V152 E153 E154 G160	V140-N156 WeakPolarHBondContact CG1-OD1 3.44Å; V152-N156 WeakPolarHBondContact O-CB 3.41Å; V152-N156 PolarHBondContact O-N 2.83Å; V152-N156 PolarHBondContact O-ND2 3.35Å; E153-N156 PolarHBondContact O-N 2.8Å; E154-N156 PolarHBondContact O-N 2.69Å; N156-G160 PolarHBondContact O-N 3.33Å
157	A	94.4	Very high	92.4	Very high	60 Å²	60	79.2 Å²	79.2	50%	0.496	40%	0.403	S	S	.	.	H	α-helix	trans	-64.6	-44.4	176.1	0	0	0	0	0	111.4	E153 E154 G160 A161	E153-A157 WeakPolarHBondContact O-CB 3.22Å; E153-A157 PolarHBondContact O-N 2.74Å; E154-A157 PolarHBondContact O-N 3.01Å; A157-G160 PolarHBondContact O-N 2.72Å; A157-A161 PolarHBondContact O-N 2.95Å
158	E	93.6	Very high	92.7	Very high	88 Å²	88	81.7 Å²	81.7	41%	0.411	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-50.4	175.3	-173	-178.2	-167.1	0	0	111.3	R139 E154 G155 G160 A161 S162	R139-E158 IonicContact CZ-OE1 3.32Å; R139-E158 IonicContact CZ-OE2 2.73Å; R139-E158 IonicContact NH1-OE1 3.95Å; R139-E158 PolarHBondContact NH1-OE1 3.23Å; R139-E158 IonicContact NH1-OE2 3.63Å; R139-E158 PolarHBondContact NH1-OE2 2.85Å; R139-E158 IonicContact NH2-OE1 2.65Å; E154-E158 PolarHBondContact O-N 3.1Å; G155-E158 PolarHBondContact O-N 3.38Å; E158-G160 VanDerWaalsContact C-N 3.29Å; E158-G160 PolarHBondContact O-N 2.79Å; E158-A161 WeakPolarHBondContact O-CB 3.47Å; E158-A161 PolarHBondContact O-N 3.32Å; E158-A161 VanDerWaalsContact O-N 3.08Å; E158-S162 PolarHBondContact O-N 2.65Å; E158-S162 PolarHBondContact O-OG 2.84Å
159	Y	94.1	Very high	92.9	Very high	46 Å²	46	78.9 Å²	78.9	18%	0.18	40%	0.396	C	S	.	.	H	α-helix	trans	-58.7	-41.2	176.3	171.7	-113.3	0	0	0	112.1	L133 L137 V140 G155 A161 S162 R163	L133-Y159 HydrophobicContact CD1-CD2 3.82Å; L133-Y159 HydrophobicContact CD1-CE2 3.45Å; L133-Y159 VanDerWaalsContact CD1-CE2 3.45Å; L133-Y159 HydrophobicContact CG-CE2 4.45Å; L137-Y159 HydrophobicContact CB-CD2 4.07Å; L137-Y159 HydrophobicContact CB-CE2 3.8Å; L137-Y159 HydrophobicContact CD1-CD2 4.47Å; L137-Y159 HydrophobicContact CD1-CE2 3.84Å; L137-Y159 HydrophobicContact CG-CE2 4.35Å; V140-Y159 HydrophobicContact CG2-CG 4.45Å; G155-Y159 PolarHBondContact O-N 2.85Å; Y159-A161 VanDerWaalsContact C-N 3.32Å; Y159-A161 PolarHBondContact O-N 2.93Å; Y159-S162 PolarHBondContact O-N 3.29Å; Y159-R163 VanDerWaalsContact O-CB 3.24Å; Y159-R163 WeakPolarHBondContact O-CB 3.33Å; Y159-R163 PolarHBondContact O-N 2.84Å
160	G	93.8	Very high	93.1	Very high	22 Å²	22	75 Å²	75	23%	0.227	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-40.7	174.3	0	0	0	0	0	112.9	N156 A157 E158 R164	N156-G160 PolarHBondContact O-N 3.33Å; A157-G160 PolarHBondContact O-N 2.72Å; E158-G160 VanDerWaalsContact C-N 3.29Å; E158-G160 PolarHBondContact O-N 2.79Å; G160-R164 PolarHBondContact O-N 3.43Å; G160-R164 VanDerWaalsContact O-N 3.09Å
161	A	95.5	Very high	93.2	Very high	47 Å²	47	72.3 Å²	72.3	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-48.4	175.9	0	0	0	0	0	112.2	A157 E158 Y159 R163 R164 R165	A157-A161 PolarHBondContact O-N 2.95Å; E158-A161 WeakPolarHBondContact O-CB 3.47Å; E158-A161 PolarHBondContact O-N 3.32Å; E158-A161 VanDerWaalsContact O-N 3.08Å; Y159-A161 VanDerWaalsContact C-N 3.32Å; Y159-A161 PolarHBondContact O-N 2.93Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 PolarHBondContact O-N 2.81Å; A161-R164 PolarHBondContact O-N 2.82Å; A161-R165 PolarHBondContact O-N 3.4Å
162	S	94.4	Very high	93.4	Very high	20 Å²	20	74.9 Å²	74.9	14%	0.14	36%	0.363	C	S	.	.	H	α-helix	trans	-57.5	-41	175.2	-55.4	0	0	0	0	111.4	S136 E158 Y159 R165 F166	S136-S162 WeakPolarHBondContact OG-CB 3.39Å; S136-S162 PolarHBondContact OG-OG 2.8Å; S136-S162 VanDerWaalsContact OG-OG 3.11Å; E158-S162 PolarHBondContact O-N 2.65Å; E158-S162 PolarHBondContact O-OG 2.84Å; Y159-S162 PolarHBondContact O-N 3.29Å; S162-R165 PolarHBondContact O-N 2.93Å; S162-F166 WeakPolarHBondContact O-CB 3.4Å; S162-F166 PolarHBondContact O-N 2.89Å
163	R	94.3	Very high	93.6	Very high	104 Å²	104	72.6 Å²	72.6	39%	0.392	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-41	179.6	-175.6	176.4	166.1	175.8	1.2	112.3	L133 Y159 A161 H167	L133-R163 HydrophobicContact CD1-CB 3.79Å; L133-R163 HydrophobicContact CD1-CG 4.48Å; Y159-R163 VanDerWaalsContact O-CB 3.24Å; Y159-R163 WeakPolarHBondContact O-CB 3.33Å; Y159-R163 PolarHBondContact O-N 2.84Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 PolarHBondContact O-N 2.81Å; R163-H167 WeakPolarHBondContact O-CB 3.36Å; R163-H167 PolarHBondContact O-N 2.93Å
164	R	94.5	Very high	93.7	Very high	178 Å²	178	68.1 Å²	68.1	67%	0.672	33%	0.328	S	S	*	.	H	α-helix	trans	-63.5	-44.4	173.5	-77.4	-171.2	-68	-103.4	-0.2	111.5	G160 A161 H167 H168	G160-R164 PolarHBondContact O-N 3.43Å; G160-R164 VanDerWaalsContact O-N 3.09Å; A161-R164 PolarHBondContact O-N 2.82Å; R164-H167 PolarHBondContact O-N 3.43Å; R164-H168 PolarHBondContact O-N 3.32Å
165	R	95.1	Very high	93.7	Very high	154 Å²	154	67.8 Å²	67.8	58%	0.581	33%	0.333	S	S	*	.	H	α-helix	trans	-60.6	-50.9	177.8	-173.1	-179.2	-176.5	-162.2	3.3	111.5	D132 A161 S162 H167 H168 V169	D132-R165 IonicContact OD2-NH1 3.41Å; D132-R165 PolarHBondContact OD2-NH1 3.23Å; A161-R165 PolarHBondContact O-N 3.4Å; S162-R165 PolarHBondContact O-N 2.93Å; R165-H167 VanDerWaalsContact C-N 3.3Å; R165-H167 PolarHBondContact O-N 3.38Å; R165-H168 PolarHBondContact O-N 3.22Å; R165-V169 HydrophobicContact CG-CG2 4.47Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 2.88Å
166	F	93.9	Very high	93.8	Very high	9 Å²	9	68 Å²	68	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-57.6	-43.1	177	174.3	-106	0	0	0	112	A8 Y9 Y126 A129 C130 L133 S162 H168 V169 G170	A8-F166 HydrophobicContact CB-CE1 4.35Å; Y9-F166 AromaticContact CD2-CE1 3.89Å; Y9-F166 HydrophobicContact CD2-CE1 3.89Å; Y9-F166 AromaticContact CD2-CZ 3.93Å; Y9-F166 HydrophobicContact CD2-CZ 3.93Å; Y9-F166 HydrophobicContact CE2-CE1 4.26Å; Y9-F166 AromaticContact CE2-CZ 3.98Å; Y9-F166 HydrophobicContact CE2-CZ 3.98Å; Y126-F166 AromaticContact CD2-CE2 3.92Å; Y126-F166 HydrophobicContact CD2-CE2 3.92Å; Y126-F166 HydrophobicContact CE2-CD2 4.3Å; Y126-F166 AromaticContact CE2-CE2 3.37Å; Y126-F166 HydrophobicContact CE2-CE2 3.37Å; Y126-F166 AromaticContact CE2-CZ 3.65Å; Y126-F166 HydrophobicContact CE2-CZ 3.65Å; Y126-F166 AromaticContact CZ-CE2 3.72Å; Y126-F166 AromaticContact CZ-CZ 3.83Å; A129-F166 HydrophobicContact CB-CB 4.37Å; A129-F166 HydrophobicContact CB-CD2 4.23Å; C130-F166 HydrophobicContact CB-CD2 4.04Å; C130-F166 HydrophobicContact CB-CE2 3.67Å; L133-F166 HydrophobicContact CB-CB 4.42Å; L133-F166 HydrophobicContact CD2-CB 3.94Å; L133-F166 HydrophobicContact CD2-CD1 3.59Å; L133-F166 HydrophobicContact CD2-CE1 4.26Å; L133-F166 HydrophobicContact CD2-CG 3.79Å; S162-F166 WeakPolarHBondContact O-CB 3.4Å; S162-F166 PolarHBondContact O-N 2.89Å; F166-H168 PolarHBondContact O-N 3.38Å; F166-V169 PolarHBondContact O-N 3.48Å; F166-G170 PolarHBondContact O-N 3.25Å
167	H	92.1	Very high	93.8	Very high	82 Å²	82	64.6 Å²	64.6	38%	0.38	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-45.4	177.3	-174.9	63.8	0	0	0	112.2	R163 R164 R165 G170 L171	R163-H167 WeakPolarHBondContact O-CB 3.36Å; R163-H167 PolarHBondContact O-N 2.93Å; R164-H167 PolarHBondContact O-N 3.43Å; R165-H167 VanDerWaalsContact C-N 3.3Å; R165-H167 PolarHBondContact O-N 3.38Å; H167-G170 PolarHBondContact O-N 2.9Å; H167-L171 WeakPolarHBondContact O-CG 3.23Å; H167-L171 PolarHBondContact O-N 3.3Å
168	H	94.4	Very high	93.7	Very high	114 Å²	114	65.2 Å²	65.2	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-45.9	179.4	-175	72.9	0	0	0	112.3	R164 R165 F166 L171 R172	R164-H168 PolarHBondContact O-N 3.32Å; R165-H168 PolarHBondContact O-N 3.22Å; F166-H168 PolarHBondContact O-N 3.38Å; H168-L171 PolarHBondContact O-N 3.39Å; H168-R172 PolarHBondContact O-N 3.1Å; H168-R172 VanDerWaalsContact O-N 3.12Å
169	V	95	Very high	93.6	Very high	22 Å²	22	62.8 Å²	62.8	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-41.3	177.6	178.1	0	0	0	0	111.1	A129 R165 F166 L171 R172 Y173	A129-V169 HydrophobicContact CB-CB 4.45Å; A129-V169 HydrophobicContact CB-CG2 4.46Å; R165-V169 HydrophobicContact CG-CG2 4.47Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 2.88Å; F166-V169 PolarHBondContact O-N 3.48Å; V169-L171 PolarHBondContact O-N 2.99Å; V169-R172 PolarHBondContact O-N 2.86Å; V169-Y173 WeakPolarHBondContact O-CB 3.41Å; V169-Y173 PolarHBondContact O-N 3.16Å
170	G	92.4	Very high	93.5	Very high	3 Å²	3	60.6 Å²	60.6	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-42.4	176	0	0	0	0	0	113.1	F166 H167 Y173 F174	F166-G170 PolarHBondContact O-N 3.25Å; H167-G170 PolarHBondContact O-N 2.9Å; G170-Y173 PolarHBondContact O-N 3.43Å; G170-F174 WeakPolarHBondContact O-CD1 3.42Å; G170-F174 VanDerWaalsContact O-CD2 3.3Å; G170-F174 WeakPolarHBondContact O-CD2 3.04Å; G170-F174 WeakPolarHBondContact O-CG 3.17Å; G170-F174 PolarHBondContact O-N 3.31Å
171	L	92.6	Very high	93.2	Very high	86 Å²	86	61.5 Å²	61.5	45%	0.45	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-45.3	174.7	-74.4	175.8	0	0	0	111.9	H167 H168 V169 Y173 F174 V175	H167-L171 WeakPolarHBondContact O-CG 3.23Å; H167-L171 PolarHBondContact O-N 3.3Å; H168-L171 PolarHBondContact O-N 3.39Å; V169-L171 PolarHBondContact O-N 2.99Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 3.08Å; L171-F174 PolarHBondContact O-N 3.21Å; L171-V175 WeakPolarHBondContact O-CB 3.42Å; L171-V175 VanDerWaalsContact O-CG2 3.25Å; L171-V175 WeakPolarHBondContact O-CG2 3.38Å; L171-V175 PolarHBondContact O-N 3.05Å
172	R	94.3	Very high	92.8	Very high	147 Å²	147	68.4 Å²	68.4	56%	0.555	31%	0.307	S	S	*	.	H	α-helix	trans	-58.7	-45.6	175.7	-72.6	-177.1	66.6	-174.6	-1.4	111.2	H168 V169 V175 L176	H168-R172 PolarHBondContact O-N 3.1Å; H168-R172 VanDerWaalsContact O-N 3.12Å; V169-R172 PolarHBondContact O-N 2.86Å; R172-V175 PolarHBondContact O-N 3.05Å; R172-L176 WeakPolarHBondContact O-CB 3.33Å; R172-L176 PolarHBondContact O-N 3.38Å
173	Y	95.1	Very high	92.7	Very high	3 Å²	3	69.9 Å²	69.9	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-47.6	-180	-174.2	-140.7	0	0	0	112	L17 E21 L119 C122 K123 Y126 V169 G170 L171 L176 M177	L17-Y173 HydrophobicContact CD1-CD1 4.28Å; L17-Y173 HydrophobicContact CD1-CE1 3.81Å; L17-Y173 HydrophobicContact CD2-CE1 4.47Å; E21-Y173 WeakPolarHBondContact CG-OH 3.45Å; E21-Y173 PolarHBondContact OE1-OH 3.48Å; L119-Y173 HydrophobicContact CD1-CD2 3.64Å; L119-Y173 HydrophobicContact CD1-CE2 3.45Å; L119-Y173 VanDerWaalsContact CD1-CE2 3.45Å; L119-Y173 HydrophobicContact CG-CE2 4.23Å; C122-Y173 HydrophobicContact CB-CD2 4.11Å; C122-Y173 VanDerWaalsContact SG-CA 3.56Å; K123-Y173 HydrophobicContact CB-CE2 3.66Å; K123-Y173 HydrophobicContact CG-CE1 4.46Å; K123-Y173 HydrophobicContact CG-CE2 4.33Å; K123-Y173 WeakPolarHBondContact CG-OH 3.38Å; Y126-Y173 AromaticContact CD1-CD1 3.97Å; Y126-Y173 HydrophobicContact CD1-CD1 3.97Å; Y126-Y173 HydrophobicContact CD1-CE1 4.11Å; Y126-Y173 HydrophobicContact CD2-CD1 4.1Å; Y126-Y173 AromaticContact CG-CD1 3.72Å; Y126-Y173 HydrophobicContact CG-CD1 3.72Å; Y126-Y173 HydrophobicContact CG-CE1 4.28Å; Y126-Y173 HydrophobicContact CG-CG 4.46Å; V169-Y173 WeakPolarHBondContact O-CB 3.41Å; V169-Y173 PolarHBondContact O-N 3.16Å; G170-Y173 PolarHBondContact O-N 3.43Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 3.08Å; Y173-L176 PolarHBondContact O-N 3.13Å; Y173-M177 HydrophobicContact CD1-CE 3.76Å; Y173-M177 HydrophobicContact CD2-CE 3.8Å; Y173-M177 HydrophobicContact CE1-CE 3.35Å; Y173-M177 HydrophobicContact CE2-CE 3.38Å; Y173-M177 HydrophobicContact CG-CE 3.95Å; Y173-M177 WeakPolarHBondContact O-CB 3.09Å; Y173-M177 PolarHBondContact O-N 3.41Å; Y173-M177 WeakPolarHBondContact OH-CE 3.17Å
174	F	92.4	Very high	92.7	Very high	47 Å²	47	69.2 Å²	69.2	21%	0.206	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-39.6	-179.9	-58.3	-20.3	0	0	0	112.7	L17 Y126 G170 L171 N178	L17-F174 HydrophobicContact CD1-CD1 3.98Å; L17-F174 HydrophobicContact CD1-CE1 3.59Å; L17-F174 HydrophobicContact CD2-CE1 3.95Å; L17-F174 HydrophobicContact CD2-CZ 4.48Å; L17-F174 HydrophobicContact CG-CE1 4.33Å; Y126-F174 HydrophobicContact CE2-CE1 4.36Å; Y126-F174 HydrophobicContact CE2-CZ 4.24Å; G170-F174 WeakPolarHBondContact O-CD1 3.42Å; G170-F174 VanDerWaalsContact O-CD2 3.3Å; G170-F174 WeakPolarHBondContact O-CD2 3.04Å; G170-F174 WeakPolarHBondContact O-CG 3.17Å; G170-F174 PolarHBondContact O-N 3.31Å; L171-F174 PolarHBondContact O-N 3.21Å; F174-N178 WeakPolarHBondContact O-CB 3.28Å; F174-N178 VanDerWaalsContact O-CG 3.28Å; F174-N178 PolarHBondContact O-N 3.32Å; F174-N178 PolarHBondContact O-ND2 3.08Å
175	V	92.6	Very high	92.5	Very high	100 Å²	100	69.4 Å²	69.4	61%	0.606	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-45.3	176.3	169.4	0	0	0	0	110.8	L171 R172 M177 N178 S179	L171-V175 WeakPolarHBondContact O-CB 3.42Å; L171-V175 VanDerWaalsContact O-CG2 3.25Å; L171-V175 WeakPolarHBondContact O-CG2 3.38Å; L171-V175 PolarHBondContact O-N 3.05Å; R172-V175 PolarHBondContact O-N 3.05Å; V175-M177 PolarHBondContact O-N 3.48Å; V175-N178 PolarHBondContact O-N 3.01Å; V175-S179 WeakPolarHBondContact O-CB 3.41Å; V175-S179 PolarHBondContact O-N 3.32Å
176	L	93.2	Very high	92.3	Very high	19 Å²	19	67 Å²	67	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-42.7	-179.7	-174.8	57.2	0	0	0	111.5	E118 L119 C122 R172 Y173 S179 I180	E118-L176 HydrophobicContact CB-CD2 4.48Å; E118-L176 HydrophobicContact CG-CD2 4.08Å; L119-L176 HydrophobicContact CB-CD2 3.99Å; L119-L176 HydrophobicContact CB-CG 4.27Å; L119-L176 HydrophobicContact CD1-CB 4.14Å; L119-L176 HydrophobicContact CD1-CD2 3.96Å; L119-L176 HydrophobicContact CD1-CG 3.89Å; C122-L176 HydrophobicContact CB-CD2 4.15Å; R172-L176 WeakPolarHBondContact O-CB 3.33Å; R172-L176 PolarHBondContact O-N 3.38Å; Y173-L176 PolarHBondContact O-N 3.13Å; L176-S179 WeakPolarHBondContact O-CB 3.24Å; L176-S179 PolarHBondContact O-N 2.76Å; L176-I180 HydrophobicContact CD1-CD1 4.3Å; L176-I180 HydrophobicContact CG-CD1 4.18Å; L176-I180 PolarHBondContact O-N 3.16Å
177	M	92.8	Very high	92.3	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-45	177.2	-156.9	-179.3	-50.4	0	0	112.2	L17 F20 L119 Y173 V175 S179 I180 Q181	L17-M177 HydrophobicContact CD1-CE 3.54Å; L17-M177 HydrophobicContact CD1-SD 4.06Å; F20-M177 HydrophobicContact CB-CG 4.2Å; F20-M177 HydrophobicContact CB-SD 3.25Å; F20-M177 WeakPolarHBondContact CB-SD 3.35Å; F20-M177 HydrophobicContact CD1-CG 3.95Å; F20-M177 HydrophobicContact CD1-SD 3.86Å; F20-M177 HydrophobicContact CG-SD 3.92Å; L119-M177 HydrophobicContact CD1-CB 4.18Å; L119-M177 HydrophobicContact CD2-CG 4.38Å; Y173-M177 HydrophobicContact CD1-CE 3.76Å; Y173-M177 HydrophobicContact CD2-CE 3.8Å; Y173-M177 HydrophobicContact CE1-CE 3.35Å; Y173-M177 HydrophobicContact CE2-CE 3.38Å; Y173-M177 HydrophobicContact CG-CE 3.95Å; Y173-M177 WeakPolarHBondContact O-CB 3.09Å; Y173-M177 PolarHBondContact O-N 3.41Å; Y173-M177 WeakPolarHBondContact OH-CE 3.17Å; V175-M177 PolarHBondContact O-N 3.48Å; M177-S179 VanDerWaalsContact C-N 3.35Å; M177-S179 PolarHBondContact O-N 2.9Å; M177-I180 PolarHBondContact O-N 3.23Å; M177-Q181 WeakPolarHBondContact O-CG 3.39Å; M177-Q181 PolarHBondContact O-N 3.3Å; M177-Q181 VanDerWaalsContact O-N 3.12Å
178	N	90.8	Very high	92.5	Very high	74 Å²	74	64.6 Å²	64.6	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-43.2	174	-74.1	-29.6	0	0	0	111.3	F174 V175 I180 Q181 Y182	F174-N178 WeakPolarHBondContact O-CB 3.28Å; F174-N178 VanDerWaalsContact O-CG 3.28Å; F174-N178 PolarHBondContact O-N 3.32Å; F174-N178 PolarHBondContact O-ND2 3.08Å; V175-N178 PolarHBondContact O-N 3.01Å; N178-I180 VanDerWaalsContact C-N 3.33Å; N178-I180 PolarHBondContact O-N 3.15Å; N178-Q181 PolarHBondContact O-N 2.98Å; N178-Y182 WeakPolarHBondContact O-CD2 3.33Å; N178-Y182 PolarHBondContact O-N 3.23Å
179	S	92.6	Very high	92.5	Very high	37 Å²	37	64 Å²	64	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-42.7	177.4	-177.7	0	0	0	0	112.1	R115 V175 L176 M177 Q181 Y182 Q183	R115-S179 PolarHBondContact NH2-OG 3.02Å; V175-S179 WeakPolarHBondContact O-CB 3.41Å; V175-S179 PolarHBondContact O-N 3.32Å; L176-S179 WeakPolarHBondContact O-CB 3.24Å; L176-S179 PolarHBondContact O-N 2.76Å; M177-S179 VanDerWaalsContact C-N 3.35Å; M177-S179 PolarHBondContact O-N 2.9Å; S179-Q181 VanDerWaalsContact C-N 3.33Å; S179-Q181 PolarHBondContact O-N 3.08Å; S179-Y182 PolarHBondContact O-N 3.12Å; S179-Q183 WeakPolarHBondContact O-CG 3.47Å; S179-Q183 PolarHBondContact O-N 3.03Å
180	I	92.6	Very high	92.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-37.9	177.3	-78.8	162.6	0	0	0	111.6	L27 L116 L119 L176 M177 N178 Y182 Q183 R184	L27-I180 HydrophobicContact CD2-CG2 3.83Å; L116-I180 HydrophobicContact CD2-CD1 4.24Å; L116-I180 HydrophobicContact CD2-CG2 3.79Å; L119-I180 HydrophobicContact CB-CD1 3.55Å; L119-I180 HydrophobicContact CD1-CD1 4.46Å; L119-I180 HydrophobicContact CD2-CD1 3.43Å; L119-I180 VanDerWaalsContact CD2-CD1 3.43Å; L119-I180 HydrophobicContact CG-CD1 3.98Å; L176-I180 HydrophobicContact CD1-CD1 4.3Å; L176-I180 HydrophobicContact CG-CD1 4.18Å; L176-I180 PolarHBondContact O-N 3.16Å; M177-I180 PolarHBondContact O-N 3.23Å; N178-I180 VanDerWaalsContact C-N 3.33Å; N178-I180 PolarHBondContact O-N 3.15Å; I180-Y182 VanDerWaalsContact C-N 3.3Å; I180-Y182 PolarHBondContact O-N 3.39Å; I180-Q183 CarbonylContact O-C 3.57Å; I180-Q183 PolarHBondContact O-N 2.92Å; I180-Q183 VanDerWaalsContact O-N 3.14Å; I180-R184 WeakPolarHBondContact O-CB 3.25Å; I180-R184 PolarHBondContact O-N 3.47Å
181	Q	86.8	Confident	92.6	Very high	41 Å²	41	67.3 Å²	67.3	19%	0.192	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-37.1	176.6	-69.1	-61.5	-28.8	0	0	112.8	F20 D23 M177 N178 S179 R184	F20-Q181 HydrophobicContact CD1-CG 4.21Å; F20-Q181 HydrophobicContact CE1-CG 4.04Å; D23-Q181 PolarHBondContact OD2-NE2 2.76Å; D23-Q181 PolarHBondContact OD2-OE1 2.96Å; M177-Q181 WeakPolarHBondContact O-CG 3.39Å; M177-Q181 PolarHBondContact O-N 3.3Å; M177-Q181 VanDerWaalsContact O-N 3.12Å; N178-Q181 PolarHBondContact O-N 2.98Å; S179-Q181 VanDerWaalsContact C-N 3.33Å; S179-Q181 PolarHBondContact O-N 3.08Å; Q181-R184 WeakPolarHBondContact O-CG 3.33Å
182	Y	87.3	Confident	92.9	Very high	192 Å²	192	67.3 Å²	67.3	75%	0.753	31%	0.312	S	S	*	.	H	α-helix	trans	-70.2	-40.6	172.6	-71.2	-72.3	0	0	0	112.1	N178 S179 I180	N178-Y182 WeakPolarHBondContact O-CD2 3.33Å; N178-Y182 PolarHBondContact O-N 3.23Å; S179-Y182 PolarHBondContact O-N 3.12Å; I180-Y182 VanDerWaalsContact C-N 3.3Å; I180-Y182 PolarHBondContact O-N 3.39Å
183	Q	92.4	Very high	93	Very high	51 Å²	51	64.4 Å²	64.4	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-77.5	-23.1	-175.7	-72.5	-173.6	-26.9	0	0	114.4	F112 R115 S179 I180 R185 I186 G187	F112-Q183 HydrophobicContact CE2-CB 4.19Å; R115-Q183 VanDerWaalsContact CZ-NE2 3.27Å; S179-Q183 WeakPolarHBondContact O-CG 3.47Å; S179-Q183 PolarHBondContact O-N 3.03Å; I180-Q183 CarbonylContact O-C 3.57Å; I180-Q183 PolarHBondContact O-N 2.92Å; I180-Q183 VanDerWaalsContact O-N 3.14Å; Q183-R185 PolarHBondContact O-N 3.48Å; Q183-R185 VanDerWaalsContact O-N 3.1Å; Q183-I186 CarbonylContact O-C 3.55Å; Q183-I186 WeakPolarHBondContact O-CA 3.28Å; Q183-I186 WeakPolarHBondContact O-CB 3.32Å; Q183-I186 PolarHBondContact O-N 3.48Å; Q183-G187 PolarHBondContact O-N 2.64Å
184	R	93.9	Very high	93	Very high	89 Å²	89	65.6 Å²	65.6	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-52.9	-38.3	-178	82.8	-172.2	-145.1	174.3	12.3	112.4	D23 L27 F112 I180 Q181 L188	D23-R184 IonicContact OD1-NH1 3.09Å; D23-R184 IonicContact OD2-NH1 2.8Å; D23-R184 PolarHBondContact OD2-NH1 2.86Å; L27-R184 HydrophobicContact CD1-CB 4.26Å; L27-R184 HydrophobicContact CD2-CB 3.85Å; F112-R184 HydrophobicContact CZ-CB 4.17Å; I180-R184 WeakPolarHBondContact O-CB 3.25Å; I180-R184 PolarHBondContact O-N 3.47Å; Q181-R184 WeakPolarHBondContact O-CG 3.33Å; R184-L188 VanDerWaalsContact O-CB 3.27Å; R184-L188 WeakPolarHBondContact O-CB 3.18Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.33Å
185	R	89.7	Confident	93.3	Very high	183 Å²	183	64.4 Å²	64.4	69%	0.691	31%	0.312	S	S	*	.	H	α-helix	trans	-67.7	-41.3	178.9	-70.5	-173.2	179	-158.4	-0.7	110.9	Q183 I189	Q183-R185 PolarHBondContact O-N 3.48Å; Q183-R185 VanDerWaalsContact O-N 3.1Å; R185-I189 WeakPolarHBondContact O-CB 3.41Å; R185-I189 WeakPolarHBondContact O-CD1 3.42Å; R185-I189 WeakPolarHBondContact O-CG1 2.95Å; R185-I189 PolarHBondContact O-N 3.12Å; R185-I189 VanDerWaalsContact O-N 3.1Å
186	I	92	Very high	93.5	Very high	102 Å²	102	65.4 Å²	65.4	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-67.8	-55	177.8	-59	173.1	0	0	0	109.3	Q183 L188 I189 E190	Q183-I186 CarbonylContact O-C 3.55Å; Q183-I186 WeakPolarHBondContact O-CA 3.28Å; Q183-I186 WeakPolarHBondContact O-CB 3.32Å; Q183-I186 PolarHBondContact O-N 3.48Å; I186-L188 VanDerWaalsContact C-N 3.26Å; I186-L188 PolarHBondContact O-N 2.92Å; I186-I189 PolarHBondContact O-N 3.31Å; I186-E190 WeakPolarHBondContact CG2-OE2 3.25Å; I186-E190 WeakPolarHBondContact O-CB 3.22Å; I186-E190 PolarHBondContact O-N 3.45Å
187	G	93	Very high	93.7	Very high	8 Å²	8	70.9 Å²	70.9	8%	0.082	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-27.3	-175.9	0	0	0	0	0	114.8	Q183 P191	Q183-G187 PolarHBondContact O-N 2.64Å; G187-P191 VanDerWaalsContact O-CD 3.28Å; G187-P191 WeakPolarHBondContact O-CD 3.36Å; G187-P191 WeakPolarHBondContact O-CG 3.45Å
188	L	95.7	Very high	93.9	Very high	33 Å²	33	71.1 Å²	71.1	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-92	-31.5	176.6	-63	179.3	0	0	0	113.6	L27 F30 T31 L34 F112 R184 I186 L192	L27-L188 HydrophobicContact CD1-CD1 3.89Å; F30-L188 HydrophobicContact CD1-CD1 4.4Å; F30-L188 HydrophobicContact CD1-CD2 4.2Å; F30-L188 HydrophobicContact CE1-CD1 4.28Å; F30-L188 HydrophobicContact CE1-CD2 4.08Å; T31-L188 HydrophobicContact CG2-CD2 4.34Å; L34-L188 HydrophobicContact CD2-CD2 3.78Å; F112-L188 HydrophobicContact CE1-CD2 4.38Å; R184-L188 VanDerWaalsContact O-CB 3.27Å; R184-L188 WeakPolarHBondContact O-CB 3.18Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.33Å; I186-L188 VanDerWaalsContact C-N 3.26Å; I186-L188 PolarHBondContact O-N 2.92Å; L188-L192 WeakPolarHBondContact O-CD1 3.37Å; L188-L192 WeakPolarHBondContact O-CG 3.25Å
189	I	95.3	Very high	94.1	Very high	102 Å²	102	70.5 Å²	70.5	52%	0.523	33%	0.329	S	S	.	.	H	α-helix	trans	-89.5	-39	-175.1	-63.6	173.3	0	0	0	111.8	R185 I186 L192 L193	R185-I189 WeakPolarHBondContact O-CB 3.41Å; R185-I189 WeakPolarHBondContact O-CD1 3.42Å; R185-I189 WeakPolarHBondContact O-CG1 2.95Å; R185-I189 PolarHBondContact O-N 3.12Å; R185-I189 VanDerWaalsContact O-N 3.1Å; I186-I189 PolarHBondContact O-N 3.31Å; I189-L192 PolarHBondContact O-N 2.91Å; I189-L192 VanDerWaalsContact O-N 3.15Å; I189-L193 WeakPolarHBondContact O-CB 3.31Å; I189-L193 PolarHBondContact O-N 3.19Å
190	E	93.8	Very high	94.3	Very high	95 Å²	95	77 Å²	77	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-57.8	-45.8	-176.1	-175.9	175	-169.2	0	0	112.7	I186 L192 L193 S194	I186-E190 WeakPolarHBondContact CG2-OE2 3.25Å; I186-E190 WeakPolarHBondContact O-CB 3.22Å; I186-E190 PolarHBondContact O-N 3.45Å; E190-L192 PolarHBondContact O-N 3.47Å; E190-L193 PolarHBondContact O-N 2.8Å; E190-S194 WeakPolarHBondContact O-CB 3.36Å; E190-S194 PolarHBondContact O-N 3.1Å; E190-S194 PolarHBondContact O-OG 3.24Å
191	P	96.7	Very high	94.4	Very high	0 Å²	0	79.7 Å²	79.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-41.9	175.1	-22.5	34.2	0	0	0	112.7	L38 V105 P108 I109 G187 L193 S194 I195	L38-P191 HydrophobicContact CD1-CB 4.18Å; V105-P191 HydrophobicContact CG1-CB 3.88Å; P108-P191 HydrophobicContact CB-CG 4.5Å; I109-P191 HydrophobicContact CB-CG 4.27Å; G187-P191 VanDerWaalsContact O-CD 3.28Å; G187-P191 WeakPolarHBondContact O-CD 3.36Å; G187-P191 WeakPolarHBondContact O-CG 3.45Å; P191-L193 PolarHBondContact O-N 3.14Å; P191-S194 PolarHBondContact O-N 3.47Å; P191-I195 VanDerWaalsContact O-CG1 3.3Å; P191-I195 WeakPolarHBondContact O-CG1 3.44Å; P191-I195 PolarHBondContact O-N 3.45Å
192	L	97.3	Very high	94.7	Very high	86 Å²	86	78.8 Å²	78.8	45%	0.45	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-40.3	-179.3	-62.2	177.9	0	0	0	111.9	L188 I189 E190 I195 L196	L188-L192 WeakPolarHBondContact O-CD1 3.37Å; L188-L192 WeakPolarHBondContact O-CG 3.25Å; I189-L192 PolarHBondContact O-N 2.91Å; I189-L192 VanDerWaalsContact O-N 3.15Å; E190-L192 PolarHBondContact O-N 3.47Å; L192-I195 HydrophobicContact CD2-CD1 4.36Å; L192-I195 PolarHBondContact O-N 2.71Å; L192-L196 PolarHBondContact O-N 2.77Å
193	L	96.1	Very high	95.1	Very high	85 Å²	85	76 Å²	76	45%	0.445	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-43.2	175.6	-177.9	60.7	0	0	0	111	I189 E190 P191 I195 L196 Y197	I189-L193 WeakPolarHBondContact O-CB 3.31Å; I189-L193 PolarHBondContact O-N 3.19Å; E190-L193 PolarHBondContact O-N 2.8Å; P191-L193 PolarHBondContact O-N 3.14Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 2.85Å; L193-L196 PolarHBondContact O-N 2.89Å; L193-Y197 HydrophobicContact CD1-CD2 4.01Å; L193-Y197 HydrophobicContact CD1-CE2 3.56Å; L193-Y197 HydrophobicContact CD2-CE2 4.08Å; L193-Y197 HydrophobicContact CG-CD2 3.85Å; L193-Y197 HydrophobicContact CG-CE2 3.6Å; L193-Y197 VanDerWaalsContact O-CD2 3.31Å; L193-Y197 WeakPolarHBondContact O-CD2 3.23Å; L193-Y197 PolarHBondContact O-N 2.81Å; L193-Y197 VanDerWaalsContact O-N 3.07Å
194	S	96.5	Very high	95	Very high	28 Å²	28	80.1 Å²	80.1	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-34.8	178.1	-71.7	0	0	0	0	112.7	C104 E190 P191 L196 Y197 A198	C104-S194 WeakPolarHBondContact O-CB 3.37Å; C104-S194 PolarHBondContact O-OG 2.79Å; E190-S194 WeakPolarHBondContact O-CB 3.36Å; E190-S194 PolarHBondContact O-N 3.1Å; E190-S194 PolarHBondContact O-OG 3.24Å; P191-S194 PolarHBondContact O-N 3.47Å; S194-L196 PolarHBondContact O-N 2.93Å; S194-Y197 PolarHBondContact O-N 2.88Å; S194-A198 WeakPolarHBondContact O-CB 3.25Å; S194-A198 PolarHBondContact O-N 3.42Å
195	I	97.6	Very high	94.8	Very high	22 Å²	22	78.5 Å²	78.5	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	-58	-48.5	171.5	-67.2	164.1	0	0	0	110.5	L38 L41 L101 V105 P191 L192 L193 Y197 A198 Y199	L38-I195 HydrophobicContact CD2-CD1 3.45Å; L38-I195 VanDerWaalsContact CD2-CD1 3.45Å; L41-I195 HydrophobicContact CD2-CD1 4.23Å; L41-I195 HydrophobicContact CD2-CG2 4.44Å; L101-I195 HydrophobicContact CD2-CG1 4.2Å; V105-I195 HydrophobicContact CB-CG1 4.47Å; V105-I195 HydrophobicContact CG1-CD1 4Å; V105-I195 HydrophobicContact CG1-CG1 3.96Å; V105-I195 HydrophobicContact CG2-CG1 3.65Å; P191-I195 VanDerWaalsContact O-CG1 3.3Å; P191-I195 WeakPolarHBondContact O-CG1 3.44Å; P191-I195 PolarHBondContact O-N 3.45Å; L192-I195 HydrophobicContact CD2-CD1 4.36Å; L192-I195 PolarHBondContact O-N 2.71Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 2.85Å; I195-Y197 VanDerWaalsContact C-N 3.32Å; I195-Y197 PolarHBondContact O-N 3.38Å; I195-A198 PolarHBondContact O-N 2.79Å; I195-Y199 HydrophobicContact CG2-CD2 3.71Å; I195-Y199 HydrophobicContact CG2-CE2 3.84Å; I195-Y199 WeakPolarHBondContact O-CD2 3.24Å; I195-Y199 PolarHBondContact O-N 3.23Å
196	L	97.3	Very high	94.8	Very high	122 Å²	122	70.4 Å²	70.4	64%	0.639	34%	0.336	S	S	*	.	H	α-helix	trans	-62.5	-40	-179.9	-64.7	179.2	0	0	0	111.9	L192 L193 S194 R200	L192-L196 PolarHBondContact O-N 2.77Å; L193-L196 PolarHBondContact O-N 2.89Å; S194-L196 PolarHBondContact O-N 2.93Å; L196-R200 WeakPolarHBondContact O-CB 3.38Å; L196-R200 PolarHBondContact O-N 3.44Å
197	Y	97.2	Very high	94.6	Very high	133 Å²	133	69.6 Å²	69.6	52%	0.522	33%	0.333	S	S	.	.	H	α-helix	trans	-66.4	-40	174.9	-81	-65	0	0	0	112.8	L193 S194 I195 R200 T201	L193-Y197 HydrophobicContact CD1-CD2 4.01Å; L193-Y197 HydrophobicContact CD1-CE2 3.56Å; L193-Y197 HydrophobicContact CD2-CE2 4.08Å; L193-Y197 HydrophobicContact CG-CD2 3.85Å; L193-Y197 HydrophobicContact CG-CE2 3.6Å; L193-Y197 VanDerWaalsContact O-CD2 3.31Å; L193-Y197 WeakPolarHBondContact O-CD2 3.23Å; L193-Y197 PolarHBondContact O-N 2.81Å; L193-Y197 VanDerWaalsContact O-N 3.07Å; S194-Y197 PolarHBondContact O-N 2.88Å; I195-Y197 VanDerWaalsContact C-N 3.32Å; I195-Y197 PolarHBondContact O-N 3.38Å; Y197-R200 PolarHBondContact O-N 3.31Å; Y197-T201 WeakPolarHBondContact O-CB 3.32Å; Y197-T201 PolarHBondContact O-N 2.98Å; Y197-T201 PolarHBondContact O-OG1 3.35Å
198	A	96.4	Very high	94.3	Very high	10 Å²	10	74 Å²	74	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-62.1	-51.9	177.8	0	0	0	0	0	111.3	M97 Q100 L101 S194 I195 R200 T201 L202	M97-A198 HydrophobicContact CE-CB 4.47Å; M97-A198 HydrophobicContact CG-CB 4.29Å; Q100-A198 HydrophobicContact CB-CB 4.48Å; L101-A198 HydrophobicContact CD2-CB 3.88Å; L101-A198 HydrophobicContact CG-CB 4.44Å; S194-A198 WeakPolarHBondContact O-CB 3.25Å; S194-A198 PolarHBondContact O-N 3.42Å; I195-A198 PolarHBondContact O-N 2.79Å; A198-R200 PolarHBondContact O-N 2.98Å; A198-T201 PolarHBondContact O-N 3.29Å; A198-L202 PolarHBondContact O-N 3.38Å
199	Y	96.3	Very high	93.7	Very high	61 Å²	61	73.8 Å²	73.8	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-43.2	176.6	-85.4	-76.4	0	0	0	112.4	M97 I195 T201 L202 F203	M97-Y199 HydrophobicContact CE-CD1 3.63Å; M97-Y199 HydrophobicContact CE-CD2 3.56Å; M97-Y199 HydrophobicContact CE-CE1 3.39Å; M97-Y199 HydrophobicContact CE-CE2 3.33Å; M97-Y199 HydrophobicContact CE-CG 3.69Å; M97-Y199 HydrophobicContact SD-CD1 4.42Å; M97-Y199 HydrophobicContact SD-CE1 4.31Å; I195-Y199 HydrophobicContact CG2-CD2 3.71Å; I195-Y199 HydrophobicContact CG2-CE2 3.84Å; I195-Y199 WeakPolarHBondContact O-CD2 3.24Å; I195-Y199 PolarHBondContact O-N 3.23Å; Y199-T201 PolarHBondContact O-N 2.87Å; Y199-L202 PolarHBondContact O-N 3.39Å; Y199-F203 AromaticContact CD1-CE2 3.92Å; Y199-F203 HydrophobicContact CD1-CE2 3.92Å; Y199-F203 HydrophobicContact CD1-CZ 4.05Å; Y199-F203 HydrophobicContact CG-CE2 4.43Å; Y199-F203 WeakPolarHBondContact O-CD2 3.13Å; Y199-F203 WeakPolarHBondContact O-CG 2.96Å; Y199-F203 PolarHBondContact O-N 3.14Å
200	R	95.5	Very high	93.1	Very high	173 Å²	173	72.4 Å²	72.4	65%	0.653	35%	0.348	S	S	*	.	H	α-helix	trans	-58.8	-39.1	176.2	-179.2	178.6	178.8	179.5	0.4	111.6	L196 Y197 A198 R204	L196-R200 WeakPolarHBondContact O-CB 3.38Å; L196-R200 PolarHBondContact O-N 3.44Å; Y197-R200 PolarHBondContact O-N 3.31Å; A198-R200 PolarHBondContact O-N 2.98Å; R200-R204 VanDerWaalsContact O-CB 3.31Å; R200-R204 WeakPolarHBondContact O-CB 3.24Å; R200-R204 PolarHBondContact O-N 2.67Å
201	T	94.7	Very high	92.3	Very high	57 Å²	57	71.4 Å²	71.4	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-69.2	-46.1	179.5	-58.2	0	0	0	0	110.9	Y197 A198 Y199 F203 R204 M205	Y197-T201 WeakPolarHBondContact O-CB 3.32Å; Y197-T201 PolarHBondContact O-N 2.98Å; Y197-T201 PolarHBondContact O-OG1 3.35Å; A198-T201 PolarHBondContact O-N 3.29Å; Y199-T201 PolarHBondContact O-N 2.87Å; T201-F203 PolarHBondContact O-N 2.93Å; T201-R204 PolarHBondContact O-N 3.25Å; T201-M205 HydrophobicContact CG2-CE 3.66Å; T201-M205 HydrophobicContact CG2-SD 4.12Å; T201-M205 WeakPolarHBondContact O-CG 2.94Å; T201-M205 PolarHBondContact O-N 3.46Å
202	L	94.7	Very high	90.8	Very high	23 Å²	23	78.3 Å²	78.3	12%	0.12	38%	0.383	C	S	.	.	H	α-helix	trans	-56.2	-51.2	174.9	176.8	67	0	0	0	111.2	W93 M94 M97 A198 Y199 R204 M205 G206	W93-L202 HydrophobicContact CB-CD1 3.81Å; M94-L202 HydrophobicContact CG-CD1 4.33Å; M97-L202 HydrophobicContact SD-CB 4.09Å; M97-L202 HydrophobicContact SD-CD2 3.48Å; M97-L202 WeakPolarHBondContact SD-CD2 2.93Å; M97-L202 HydrophobicContact SD-CG 4.31Å; A198-L202 PolarHBondContact O-N 3.38Å; Y199-L202 PolarHBondContact O-N 3.39Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 2.87Å; L202-M205 PolarHBondContact O-N 2.89Å; L202-G206 PolarHBondContact O-N 2.98Å
203	F	94.3	Very high	89.6	Confident	134 Å²	134	76.9 Å²	76.9	59%	0.588	38%	0.376	S	S	*	.	H	α-helix	trans	-63.8	-36	-179.4	-67.7	-48.1	0	0	0	112.5	Y199 T201 G206 D207	Y199-F203 AromaticContact CD1-CE2 3.92Å; Y199-F203 HydrophobicContact CD1-CE2 3.92Å; Y199-F203 HydrophobicContact CD1-CZ 4.05Å; Y199-F203 HydrophobicContact CG-CE2 4.43Å; Y199-F203 WeakPolarHBondContact O-CD2 3.13Å; Y199-F203 WeakPolarHBondContact O-CG 2.96Å; Y199-F203 PolarHBondContact O-N 3.14Å; T201-F203 PolarHBondContact O-N 2.93Å; F203-G206 PolarHBondContact O-N 3.43Å; F203-D207 VanDerWaalsContact O-CB 3.32Å; F203-D207 WeakPolarHBondContact O-CB 3.4Å; F203-D207 PolarHBondContact O-N 2.87Å
204	R	91.8	Very high	88.5	Confident	137 Å²	137	80.6 Å²	80.6	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-67.8	-40.5	176.1	-168.1	-178.5	73.7	113	2.7	112	R200 T201 L202 Q208	R200-R204 VanDerWaalsContact O-CB 3.31Å; R200-R204 WeakPolarHBondContact O-CB 3.24Å; R200-R204 PolarHBondContact O-N 2.67Å; T201-R204 PolarHBondContact O-N 3.25Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 2.87Å; R204-Q208 WeakPolarHBondContact O-CB 3.4Å; R204-Q208 WeakPolarHBondContact O-CG 3.35Å; R204-Q208 PolarHBondContact O-N 3Å
205	M	89.7	Confident	87.6	Confident	54 Å²	54	85.7 Å²	85.7	27%	0.266	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-46.9	174.4	-71.7	171.6	172.3	0	0	110.5	W93 L96 T201 L202 Q208 A209	W93-M205 HydrophobicContact CD2-CB 4.36Å; W93-M205 HydrophobicContact CG-CB 4.46Å; L96-M205 HydrophobicContact CD2-CE 3.94Å; L96-M205 HydrophobicContact CD2-SD 4.42Å; T201-M205 HydrophobicContact CG2-CE 3.66Å; T201-M205 HydrophobicContact CG2-SD 4.12Å; T201-M205 WeakPolarHBondContact O-CG 2.94Å; T201-M205 PolarHBondContact O-N 3.46Å; L202-M205 PolarHBondContact O-N 2.89Å; M205-Q208 PolarHBondContact O-N 3.24Å; M205-A209 WeakPolarHBondContact O-CB 3.26Å; M205-A209 PolarHBondContact O-N 2.97Å
206	G	88.1	Confident	86.6	Confident	13 Å²	13	84.8 Å²	84.8	13%	0.134	41%	0.407	C	S	.	.	H	α-helix	trans	-60.3	-45.9	177	0	0	0	0	0	113	L202 F203 A209 L210	L202-G206 PolarHBondContact O-N 2.98Å; F203-G206 PolarHBondContact O-N 3.43Å; G206-A209 PolarHBondContact O-N 3.41Å; G206-L210 WeakPolarHBondContact O-CB 3.46Å; G206-L210 VanDerWaalsContact O-CG 3.26Å; G206-L210 WeakPolarHBondContact O-CG 3.46Å; G206-L210 PolarHBondContact O-N 3.26Å
207	D	88.2	Confident	85.7	Confident	85 Å²	85	81.5 Å²	81.5	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-63.6	-43.6	177.6	-175.4	55.2	0	0	0	111.9	F203 A209 S211	F203-D207 VanDerWaalsContact O-CB 3.32Å; F203-D207 WeakPolarHBondContact O-CB 3.4Å; F203-D207 PolarHBondContact O-N 2.87Å; D207-A209 VanDerWaalsContact C-N 3.31Å; D207-A209 PolarHBondContact O-N 2.97Å; D207-S211 WeakPolarHBondContact O-CB 3.08Å; D207-S211 PolarHBondContact O-N 3.4Å; D207-S211 PolarHBondContact O-OG 3.48Å; D207-S211 WeakPolarHBondContact OD1-CB 3.49Å; D207-S211 PolarHBondContact OD1-OG 3.05Å
208	Q	86.6	Confident	85	Confident	100 Å²	100	79.5 Å²	79.5	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-38.4	178	-75.4	178.9	-22.1	0	0	112.7	R204 M205	R204-Q208 WeakPolarHBondContact O-CB 3.4Å; R204-Q208 WeakPolarHBondContact O-CG 3.35Å; R204-Q208 PolarHBondContact O-N 3Å; M205-Q208 PolarHBondContact O-N 3.24Å
209	A	82.9	Confident	84.3	Confident	29 Å²	29	80 Å²	80	24%	0.24	40%	0.396	C	S	.	.	H	α-helix	trans	-82.8	-34.8	-178.7	0	0	0	0	0	113.4	W93 M205 G206 D207 D213	W93-A209 HydrophobicContact CH2-CB 3.16Å; W93-A209 HydrophobicContact CZ2-CB 3.66Å; W93-A209 HydrophobicContact CZ3-CB 3.99Å; M205-A209 WeakPolarHBondContact O-CB 3.26Å; M205-A209 PolarHBondContact O-N 2.97Å; G206-A209 PolarHBondContact O-N 3.41Å; D207-A209 VanDerWaalsContact C-N 3.31Å; D207-A209 PolarHBondContact O-N 2.97Å; A209-D213 WeakPolarHBondContact O-CB 3.39Å
210	L	83	Confident	83.6	Confident	73 Å²	73	81.8 Å²	81.8	38%	0.382	41%	0.406	S	S	.	.	H	α-helix	trans	-97.6	-28.4	-172.6	-60.8	173.6	0	0	0	113.9	T86 L90 G206 L216	T86-L210 HydrophobicContact CG2-CD2 4.45Å; L90-L210 HydrophobicContact CD2-CD1 4.38Å; G206-L210 WeakPolarHBondContact O-CB 3.46Å; G206-L210 VanDerWaalsContact O-CG 3.26Å; G206-L210 WeakPolarHBondContact O-CG 3.46Å; G206-L210 PolarHBondContact O-N 3.26Å; L210-L216 HydrophobicContact CD2-CD2 3.58Å
211	S	76.6	Confident	83	Confident	75 Å²	75	77.1 Å²	77.1	52%	0.524	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-22.9	-174.4	-57.1	0	0	0	0	113.5	D207	D207-S211 WeakPolarHBondContact O-CB 3.08Å; D207-S211 PolarHBondContact O-N 3.4Å; D207-S211 PolarHBondContact O-OG 3.48Å; D207-S211 WeakPolarHBondContact OD1-CB 3.49Å; D207-S211 PolarHBondContact OD1-OG 3.05Å
212	H	65.5	Low	82.4	Confident	145 Å²	145	80.7 Å²	80.7	67%	0.671	40%	0.403	S	S	*	.	S	Bend	trans	-109.6	0.2	-175.6	-66.2	-49.3	0	0	0	114.2	E214	H212-E214 PolarHBondContact O-N 3.32Å
213	D	72.3	Confident	81.9	Confident	55 Å²	55	80.3 Å²	80.3	29%	0.294	40%	0.402	S	S	.	.			trans	-86.6	92.2	174.6	-170.7	-10.7	0	0	0	109.5	A209 E215 L216 A217	A209-D213 WeakPolarHBondContact O-CB 3.39Å; D213-E215 PolarHBondContact O-N 3.47Å; D213-E215 WeakPolarHBondContact OD1-CA 3.27Å; D213-E215 VanDerWaalsContact OD1-CB 3.23Å; D213-E215 WeakPolarHBondContact OD1-CB 3.34Å; D213-E215 PolarHBondContact OD1-N 3.29Å; D213-L216 HydrophobicContact CB-CB 3.74Å; D213-L216 WeakPolarHBondContact O-CB 3.29Å; D213-L216 PolarHBondContact O-N 2.98Å; D213-L216 VanDerWaalsContact O-N 3.09Å; D213-L216 PolarHBondContact OD1-N 3.17Å; D213-L216 VanDerWaalsContact OD1-N 3.1Å; D213-A217 PolarHBondContact O-N 3.21Å; D213-A217 VanDerWaalsContact O-N 3.13Å
214	E	73.6	Confident	81.2	Confident	164 Å²	164	77.8 Å²	77.8	77%	0.766	39%	0.392	S	S	*	.	H	α-helix	trans	-56.5	-33.9	173.2	-74	-171.4	170.6	0	0	111.2	H212 L216 A217 D218	H212-E214 PolarHBondContact O-N 3.32Å; E214-L216 VanDerWaalsContact C-N 3.29Å; E214-L216 PolarHBondContact O-N 3.24Å; E214-A217 PolarHBondContact O-N 3.42Å; E214-D218 WeakPolarHBondContact O-CB 3.48Å; E214-D218 PolarHBondContact O-N 3.19Å
215	E	76.8	Confident	80.5	Confident	134 Å²	134	74.5 Å²	74.5	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-65.8	-34.9	177.5	-55.9	-172.8	168.2	0	0	111.6	D213 F219	D213-E215 PolarHBondContact O-N 3.47Å; D213-E215 WeakPolarHBondContact OD1-CA 3.27Å; D213-E215 VanDerWaalsContact OD1-CB 3.23Å; D213-E215 WeakPolarHBondContact OD1-CB 3.34Å; D213-E215 PolarHBondContact OD1-N 3.29Å; E215-F219 WeakPolarHBondContact O-CB 3.47Å; E215-F219 PolarHBondContact O-N 3.38Å
216	L	77.9	Confident	80	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-71.2	-41.8	177	-170.7	68.1	0	0	0	111.9	L210 D213 E214 F219 F220	L210-L216 HydrophobicContact CD2-CD2 3.58Å; D213-L216 HydrophobicContact CB-CB 3.74Å; D213-L216 WeakPolarHBondContact O-CB 3.29Å; D213-L216 PolarHBondContact O-N 2.98Å; D213-L216 VanDerWaalsContact O-N 3.09Å; D213-L216 PolarHBondContact OD1-N 3.17Å; D213-L216 VanDerWaalsContact OD1-N 3.1Å; E214-L216 VanDerWaalsContact C-N 3.29Å; E214-L216 PolarHBondContact O-N 3.24Å; L216-F219 HydrophobicContact CD1-CD1 4.16Å; L216-F219 WeakPolarHBondContact O-CB 3.48Å; L216-F219 PolarHBondContact O-N 3.44Å; L216-F220 HydrophobicContact CD1-CE1 4.06Å; L216-F220 HydrophobicContact CD1-CE2 4.32Å; L216-F220 HydrophobicContact CD1-CZ 3.82Å; L216-F220 HydrophobicContact CD2-CE2 3.95Å; L216-F220 HydrophobicContact CD2-CZ 3.9Å; L216-F220 HydrophobicContact CG-CD2 4.32Å; L216-F220 HydrophobicContact CG-CE1 4.31Å; L216-F220 HydrophobicContact CG-CE2 3.67Å; L216-F220 HydrophobicContact CG-CZ 3.66Å; L216-F220 WeakPolarHBondContact O-CD2 3.48Å; L216-F220 WeakPolarHBondContact O-CG 3.34Å; L216-F220 PolarHBondContact O-N 3.2Å
217	A	78.1	Confident	79.6	Confident	52 Å²	52	77.4 Å²	77.4	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-44	175.7	0	0	0	0	0	111.8	D213 E214 F219 F220 T221	D213-A217 PolarHBondContact O-N 3.21Å; D213-A217 VanDerWaalsContact O-N 3.13Å; E214-A217 PolarHBondContact O-N 3.42Å; A217-F219 VanDerWaalsContact C-N 3.33Å; A217-F220 PolarHBondContact O-N 2.92Å; A217-T221 PolarHBondContact O-N 3.44Å; A217-T221 PolarHBondContact O-OG1 3.43Å
218	D	81.7	Confident	78.8	Confident	92 Å²	92	75.1 Å²	75.1	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-39.5	173.7	-81.2	-7.1	0	0	0	111.5	E214 T221 R222	E214-D218 WeakPolarHBondContact O-CB 3.48Å; E214-D218 PolarHBondContact O-N 3.19Å; D218-T221 PolarHBondContact O-N 3.19Å; D218-R222 WeakPolarHBondContact O-CB 3.04Å; D218-R222 WeakPolarHBondContact O-CG 3.1Å; D218-R222 PolarHBondContact O-N 2.93Å
219	F	82.7	Confident	78.2	Confident	20 Å²	20	78 Å²	78	9%	0.088	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-49.4	174.2	169.4	-98.9	0	0	0	111.4	L79 K82 F83 E215 L216 A217 T221 R222 V223	L79-F219 HydrophobicContact CD1-CE2 3.33Å; L79-F219 HydrophobicContact CD1-CZ 3.35Å; K82-F219 HydrophobicContact CB-CE2 3.87Å; K82-F219 HydrophobicContact CB-CZ 3.94Å; K82-F219 HydrophobicContact CG-CD2 4.04Å; K82-F219 HydrophobicContact CG-CE1 4.2Å; K82-F219 HydrophobicContact CG-CE2 3.65Å; K82-F219 HydrophobicContact CG-CG 4.46Å; K82-F219 HydrophobicContact CG-CZ 3.72Å; F83-F219 HydrophobicContact CD1-CE1 4.44Å; F83-F219 HydrophobicContact CD2-CZ 4.14Å; F83-F219 HydrophobicContact CE1-CE1 4.01Å; F83-F219 HydrophobicContact CE1-CZ 4.42Å; F83-F219 HydrophobicContact CE2-CE1 4.25Å; F83-F219 AromaticContact CE2-CZ 3.89Å; F83-F219 HydrophobicContact CE2-CZ 3.89Å; F83-F219 AromaticContact CZ-CE1 3.91Å; F83-F219 HydrophobicContact CZ-CE1 3.91Å; F83-F219 HydrophobicContact CZ-CZ 4.02Å; E215-F219 WeakPolarHBondContact O-CB 3.47Å; E215-F219 PolarHBondContact O-N 3.38Å; L216-F219 HydrophobicContact CD1-CD1 4.16Å; L216-F219 WeakPolarHBondContact O-CB 3.48Å; L216-F219 PolarHBondContact O-N 3.44Å; A217-F219 VanDerWaalsContact C-N 3.33Å; F219-T221 VanDerWaalsContact C-N 3.29Å; F219-T221 PolarHBondContact O-N 3.36Å; F219-R222 PolarHBondContact O-N 2.94Å; F219-V223 HydrophobicContact CD1-CG2 4.41Å; F219-V223 HydrophobicContact CD2-CG2 4.06Å; F219-V223 HydrophobicContact CE1-CG2 4.12Å; F219-V223 HydrophobicContact CE2-CG2 3.75Å; F219-V223 HydrophobicContact CG-CG2 4.39Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 VanDerWaalsContact O-CG2 3.26Å; F219-V223 WeakPolarHBondContact O-CG2 3.26Å; F219-V223 PolarHBondContact O-N 3.01Å
220	F	81.9	Confident	77.6	Confident	99 Å²	99	82.8 Å²	82.8	43%	0.434	40%	0.403	S	S	.	.	H	α-helix	trans	-57.7	-43.4	176.2	-67	-35	0	0	0	112	L216 A217 V223 Q224	L216-F220 HydrophobicContact CD1-CE1 4.06Å; L216-F220 HydrophobicContact CD1-CE2 4.32Å; L216-F220 HydrophobicContact CD1-CZ 3.82Å; L216-F220 HydrophobicContact CD2-CE2 3.95Å; L216-F220 HydrophobicContact CD2-CZ 3.9Å; L216-F220 HydrophobicContact CG-CD2 4.32Å; L216-F220 HydrophobicContact CG-CE1 4.31Å; L216-F220 HydrophobicContact CG-CE2 3.67Å; L216-F220 HydrophobicContact CG-CZ 3.66Å; L216-F220 WeakPolarHBondContact O-CD2 3.48Å; L216-F220 WeakPolarHBondContact O-CG 3.34Å; L216-F220 PolarHBondContact O-N 3.2Å; A217-F220 PolarHBondContact O-N 2.92Å; F220-V223 PolarHBondContact O-N 3.34Å; F220-Q224 VanDerWaalsContact O-CB 3.28Å; F220-Q224 WeakPolarHBondContact O-CB 3.39Å; F220-Q224 PolarHBondContact O-N 3.22Å
221	T	82.5	Confident	77	Confident	74 Å²	74	82.9 Å²	82.9	45%	0.454	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-48	177.8	-56.4	0	0	0	0	111	A217 D218 F219 V223 Q224 E225	A217-T221 PolarHBondContact O-N 3.44Å; A217-T221 PolarHBondContact O-OG1 3.43Å; D218-T221 PolarHBondContact O-N 3.19Å; F219-T221 VanDerWaalsContact C-N 3.29Å; F219-T221 PolarHBondContact O-N 3.36Å; T221-V223 PolarHBondContact O-N 3.04Å; T221-Q224 PolarHBondContact O-N 3.27Å; T221-E225 WeakPolarHBondContact O-CG 3.38Å; T221-E225 PolarHBondContact O-N 2.96Å
222	R	82	Confident	76.5	Confident	132 Å²	132	83.2 Å²	83.2	50%	0.498	39%	0.393	S	S	.	.	H	α-helix	trans	-59.9	-45.4	177.7	-74.8	-172.6	-63.4	-98.6	-2	112.4	D218 F219 E225 Q226	D218-R222 WeakPolarHBondContact O-CB 3.04Å; D218-R222 WeakPolarHBondContact O-CG 3.1Å; D218-R222 PolarHBondContact O-N 2.93Å; F219-R222 PolarHBondContact O-N 2.94Å; R222-E225 PolarHBondContact O-N 2.95Å; R222-Q226 PolarHBondContact O-N 2.72Å
223	V	83.6	Confident	76.6	Confident	16 Å²	16	79.5 Å²	79.5	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-63.8	-43.8	178.7	173.9	0	0	0	0	110.7	L79 F83 F219 F220 T221 E225 Q226 I227	L79-V223 HydrophobicContact CD1-CG1 4.43Å; L79-V223 HydrophobicContact CD1-CG2 3.29Å; L79-V223 HydrophobicContact CD2-CG1 4.46Å; L79-V223 HydrophobicContact CD2-CG2 4.41Å; L79-V223 HydrophobicContact CG-CG2 4.48Å; F83-V223 HydrophobicContact CE2-CG1 4.46Å; F83-V223 HydrophobicContact CZ-CG1 4.29Å; F219-V223 HydrophobicContact CD1-CG2 4.41Å; F219-V223 HydrophobicContact CD2-CG2 4.06Å; F219-V223 HydrophobicContact CE1-CG2 4.12Å; F219-V223 HydrophobicContact CE2-CG2 3.75Å; F219-V223 HydrophobicContact CG-CG2 4.39Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 VanDerWaalsContact O-CG2 3.26Å; F219-V223 WeakPolarHBondContact O-CG2 3.26Å; F219-V223 PolarHBondContact O-N 3.01Å; F220-V223 PolarHBondContact O-N 3.34Å; T221-V223 PolarHBondContact O-N 3.04Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 3.44Å; V223-Q226 PolarHBondContact O-N 3.46Å; V223-I227 HydrophobicContact CG1-CD1 3.94Å; V223-I227 HydrophobicContact CG1-CG1 4.48Å; V223-I227 WeakPolarHBondContact O-CG1 3.38Å; V223-I227 PolarHBondContact O-N 3.33Å
224	Q	79.4	Confident	76.2	Confident	80 Å²	80	82.1 Å²	82.1	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-41.8	178.2	-170.3	162.4	-21.7	0	0	111.3	F220 T221 I227 Q228	F220-Q224 VanDerWaalsContact O-CB 3.28Å; F220-Q224 WeakPolarHBondContact O-CB 3.39Å; F220-Q224 PolarHBondContact O-N 3.22Å; T221-Q224 PolarHBondContact O-N 3.27Å; Q224-I227 PolarHBondContact O-N 2.81Å; Q224-Q228 VanDerWaalsContact O-CG 3.32Å; Q224-Q228 WeakPolarHBondContact O-CG 3.47Å; Q224-Q228 PolarHBondContact O-N 3.4Å
225	E	78.4	Confident	75.6	Confident	68 Å²	68	75.9 Å²	75.9	32%	0.318	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-41.8	173.1	-72.3	-168.8	160.2	0	0	112.8	T221 R222 V223 Q228 R229 R259	T221-E225 WeakPolarHBondContact O-CG 3.38Å; T221-E225 PolarHBondContact O-N 2.96Å; R222-E225 PolarHBondContact O-N 2.95Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 3.44Å; E225-Q228 PolarHBondContact O-N 2.93Å; E225-R229 WeakPolarHBondContact O-CG 3.46Å; E225-R229 PolarHBondContact O-N 3.29Å; E225-R259 IonicContact OE1-NH2 3.93Å; E225-R259 PolarHBondContact OE1-NH2 2.93Å
226	Q	78.9	Confident	74.8	Confident	55 Å²	55	74.8 Å²	74.8	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-47.2	174.3	-81.5	-167.3	-20.6	0	0	111.5	E75 R222 V223 Q228 R229 F230	E75-Q226 PolarHBondContact OE2-NE2 3.12Å; R222-Q226 PolarHBondContact O-N 2.72Å; V223-Q226 PolarHBondContact O-N 3.46Å; Q226-Q228 VanDerWaalsContact C-N 3.31Å; Q226-Q228 PolarHBondContact O-N 3.47Å; Q226-R229 WeakPolarHBondContact O-CB 2.95Å; Q226-R229 PolarHBondContact O-N 2.96Å; Q226-R229 VanDerWaalsContact O-N 3.14Å; Q226-F230 HydrophobicContact CB-CE2 4.29Å; Q226-F230 WeakPolarHBondContact O-CD2 3.33Å; Q226-F230 PolarHBondContact O-N 3.03Å
227	I	78.7	Confident	73.8	Confident	74 Å²	74	81.9 Å²	81.9	38%	0.379	39%	0.39	S	S	.	.	H	α-helix	trans	-58	-45.1	176.6	-71	169.6	0	0	0	110.6	V223 Q224 R229 F230 R231	V223-I227 HydrophobicContact CG1-CD1 3.94Å; V223-I227 HydrophobicContact CG1-CG1 4.48Å; V223-I227 WeakPolarHBondContact O-CG1 3.38Å; V223-I227 PolarHBondContact O-N 3.33Å; Q224-I227 PolarHBondContact O-N 2.81Å; I227-R229 VanDerWaalsContact C-N 3.35Å; I227-R229 PolarHBondContact O-N 3.11Å; I227-F230 PolarHBondContact O-N 3.36Å; I227-R231 HydrophobicContact CG2-CG 4.48Å; I227-R231 VanDerWaalsContact CG2-NE 3.27Å; I227-R231 WeakPolarHBondContact O-CD 3.5Å; I227-R231 VanDerWaalsContact O-CG 3.26Å; I227-R231 WeakPolarHBondContact O-CG 3.46Å; I227-R231 PolarHBondContact O-N 2.99Å
228	Q	72.3	Confident	72.7	Confident	37 Å²	37	81.7 Å²	81.7	17%	0.173	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-38.4	177.1	-66.9	-50.8	-44.2	0	0	112.5	Q224 E225 Q226 R231 L232	Q224-Q228 VanDerWaalsContact O-CG 3.32Å; Q224-Q228 WeakPolarHBondContact O-CG 3.47Å; Q224-Q228 PolarHBondContact O-N 3.4Å; E225-Q228 PolarHBondContact O-N 2.93Å; Q226-Q228 VanDerWaalsContact C-N 3.31Å; Q226-Q228 PolarHBondContact O-N 3.47Å; Q228-R231 VanDerWaalsContact NE2-NH1 3.12Å; Q228-R231 PolarHBondContact O-N 3.34Å; Q228-L232 WeakPolarHBondContact O-CB 3.41Å; Q228-L232 PolarHBondContact O-N 3.26Å
229	R	72.6	Confident	71.3	Confident	159 Å²	159	80.1 Å²	80.1	60%	0.6	37%	0.371	S	S	*	.	H	α-helix	trans	-61.7	-46.6	173.3	-73.6	176.8	-169.7	179.1	6.6	111.2	E225 Q226 I227 R231 L232 T233	E225-R229 WeakPolarHBondContact O-CG 3.46Å; E225-R229 PolarHBondContact O-N 3.29Å; Q226-R229 WeakPolarHBondContact O-CB 2.95Å; Q226-R229 PolarHBondContact O-N 2.96Å; Q226-R229 VanDerWaalsContact O-N 3.14Å; I227-R229 VanDerWaalsContact C-N 3.35Å; I227-R229 PolarHBondContact O-N 3.11Å; R229-R231 VanDerWaalsContact C-N 3.33Å; R229-R231 PolarHBondContact O-N 3.15Å; R229-L232 PolarHBondContact O-N 3.33Å; R229-T233 WeakPolarHBondContact O-CB 3.42Å; R229-T233 PolarHBondContact O-N 3.44Å; R229-T233 PolarHBondContact O-OG1 3.24Å
230	F	71.6	Confident	69.5	Low	131 Å²	131	83.3 Å²	83.3	58%	0.575	39%	0.394	S	S	*	.	H	α-helix	trans	-61.2	-41.4	177	-73.2	-58.4	0	0	0	112.1	Q226 I227 T233 F234	Q226-F230 HydrophobicContact CB-CE2 4.29Å; Q226-F230 WeakPolarHBondContact O-CD2 3.33Å; Q226-F230 PolarHBondContact O-N 3.03Å; I227-F230 PolarHBondContact O-N 3.36Å; F230-T233 PolarHBondContact O-N 3.47Å; F230-F234 VanDerWaalsContact O-CB 3.25Å; F230-F234 WeakPolarHBondContact O-CB 3.38Å; F230-F234 PolarHBondContact O-N 2.81Å
231	R	68.9	Low	67.7	Low	75 Å²	75	83.7 Å²	83.7	28%	0.283	40%	0.4	S	S	.	.	H	α-helix	trans	-61	-47	175	-71.9	163.7	176.4	-153.1	-6.7	112	I227 Q228 R229 F234 L235 E273	I227-R231 HydrophobicContact CG2-CG 4.48Å; I227-R231 VanDerWaalsContact CG2-NE 3.27Å; I227-R231 WeakPolarHBondContact O-CD 3.5Å; I227-R231 VanDerWaalsContact O-CG 3.26Å; I227-R231 WeakPolarHBondContact O-CG 3.46Å; I227-R231 PolarHBondContact O-N 2.99Å; Q228-R231 VanDerWaalsContact NE2-NH1 3.12Å; Q228-R231 PolarHBondContact O-N 3.34Å; R229-R231 VanDerWaalsContact C-N 3.33Å; R229-R231 PolarHBondContact O-N 3.15Å; R231-F234 PolarHBondContact O-N 3.29Å; R231-L235 WeakPolarHBondContact O-CG 3.18Å; R231-L235 PolarHBondContact O-N 2.86Å; R231-E273 WeakPolarHBondContact CD-OE1 3.36Å; R231-E273 IonicContact CZ-OE1 3.49Å; R231-E273 IonicContact CZ-OE2 2.69Å; R231-E273 IonicContact NE-OE1 3.31Å; R231-E273 PolarHBondContact NE-OE1 2.91Å; R231-E273 IonicContact NE-OE2 3.3Å; R231-E273 IonicContact NH1-OE1 3.38Å; R231-E273 PolarHBondContact NH1-OE1 2.94Å; R231-E273 IonicContact NH1-OE2 2.84Å; R231-E273 PolarHBondContact NH1-OE2 3.02Å; R231-E273 IonicContact NH2-OE1 3.86Å; R231-E273 PolarHBondContact NH2-OE1 2.9Å; R231-E273 IonicContact NH2-OE2 3.08Å; R231-E273 PolarHBondContact NH2-OE2 2.67Å
232	L	67.1	Low	66	Low	81 Å²	81	82 Å²	82	42%	0.424	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-47.4	175.7	-85.3	157.7	0	0	0	111.6	Q228 R229 F234 L235 L236 T252	Q228-L232 WeakPolarHBondContact O-CB 3.41Å; Q228-L232 PolarHBondContact O-N 3.26Å; R229-L232 PolarHBondContact O-N 3.33Å; L232-F234 VanDerWaalsContact C-N 3.33Å; L232-F234 PolarHBondContact O-N 3.15Å; L232-L235 PolarHBondContact O-N 2.79Å; L232-L236 WeakPolarHBondContact O-CB 3.21Å; L232-L236 VanDerWaalsContact O-CG 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.12Å; L232-L236 PolarHBondContact O-N 2.95Å; L232-T252 HydrophobicContact CD2-CG2 3.78Å
233	T	66.8	Low	63.9	Low	67 Å²	67	81.5 Å²	81.5	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-42.5	177.1	-58.3	0	0	0	0	111.2	R229 F230 L236 F237	R229-T233 WeakPolarHBondContact O-CB 3.42Å; R229-T233 PolarHBondContact O-N 3.44Å; R229-T233 PolarHBondContact O-OG1 3.24Å; F230-T233 PolarHBondContact O-N 3.47Å; T233-L236 CarbonylContact O-C 3.6Å; T233-L236 PolarHBondContact O-N 3.37Å; T233-F237 HydrophobicContact CG2-CD2 3.66Å; T233-F237 HydrophobicContact CG2-CE2 3.83Å; T233-F237 WeakPolarHBondContact O-CB 3.47Å; T233-F237 WeakPolarHBondContact O-CD2 3.22Å; T233-F237 PolarHBondContact O-N 3.37Å
234	F	65	Low	61.6	Low	110 Å²	110	87.4 Å²	87.4	48%	0.482	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-48.2	176.9	179.2	-104	0	0	0	111.8	F230 R231 L232 L236 F237 I238	F230-F234 VanDerWaalsContact O-CB 3.25Å; F230-F234 WeakPolarHBondContact O-CB 3.38Å; F230-F234 PolarHBondContact O-N 2.81Å; R231-F234 PolarHBondContact O-N 3.29Å; L232-F234 VanDerWaalsContact C-N 3.33Å; L232-F234 PolarHBondContact O-N 3.15Å; F234-L236 VanDerWaalsContact C-N 3.3Å; F234-L236 PolarHBondContact O-N 2.8Å; F234-F237 PolarHBondContact O-N 2.92Å; F234-F237 VanDerWaalsContact O-N 3.1Å; F234-I238 HydrophobicContact CD1-CD1 4.05Å; F234-I238 HydrophobicContact CE1-CD1 3.43Å; F234-I238 VanDerWaalsContact CE1-CD1 3.43Å; F234-I238 HydrophobicContact CE2-CD1 4.05Å; F234-I238 HydrophobicContact CZ-CD1 3.45Å; F234-I238 VanDerWaalsContact CZ-CD1 3.45Å; F234-I238 HydrophobicContact CZ-CG1 4.41Å; F234-I238 PolarHBondContact O-N 3.28Å
235	L	59.8	Low	59.6	Low	34 Å²	34	88.4 Å²	88.4	18%	0.178	44%	0.439	C	S	.	.	H	α-helix	trans	-58.8	-43.2	174.4	-70.6	171.4	0	0	0	111.4	R231 L232 F237 I238 H239 W251	R231-L235 WeakPolarHBondContact O-CG 3.18Å; R231-L235 PolarHBondContact O-N 2.86Å; L232-L235 PolarHBondContact O-N 2.79Å; L235-F237 VanDerWaalsContact C-N 3.32Å; L235-F237 PolarHBondContact O-N 2.67Å; L235-I238 PolarHBondContact O-N 3.09Å; L235-H239 WeakPolarHBondContact O-CB 3.32Å; L235-H239 PolarHBondContact O-N 2.81Å; L235-H239 VanDerWaalsContact O-N 3.09Å; L235-W251 HydrophobicContact CD1-CE3 3.91Å; L235-W251 HydrophobicContact CD1-CZ3 3.74Å
236	L	59.9	Low	57.7	Low	110 Å²	110	89.7 Å²	89.7	58%	0.576	46%	0.456	S	S	*	.	H	α-helix	trans	-68.7	-23.5	176.4	-72.7	173.5	0	0	0	113.9	L232 T233 F234 P240	L232-L236 WeakPolarHBondContact O-CB 3.21Å; L232-L236 VanDerWaalsContact O-CG 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.12Å; L232-L236 PolarHBondContact O-N 2.95Å; T233-L236 CarbonylContact O-C 3.6Å; T233-L236 PolarHBondContact O-N 3.37Å; F234-L236 VanDerWaalsContact C-N 3.3Å; F234-L236 PolarHBondContact O-N 2.8Å; L236-P240 WeakPolarHBondContact O-CD 3.35Å
237	F	57.6	Low	55.9	Low	153 Å²	153	91.2 Å²	91.2	67%	0.671	47%	0.472	S	S	*	.	H	α-helix	trans	-84.7	-28.7	176.4	-102.1	-87.4	0	0	0	112.6	T233 F234 L235 H239 P240	T233-F237 HydrophobicContact CG2-CD2 3.66Å; T233-F237 HydrophobicContact CG2-CE2 3.83Å; T233-F237 WeakPolarHBondContact O-CB 3.47Å; T233-F237 WeakPolarHBondContact O-CD2 3.22Å; T233-F237 PolarHBondContact O-N 3.37Å; F234-F237 PolarHBondContact O-N 2.92Å; F234-F237 VanDerWaalsContact O-N 3.1Å; L235-F237 VanDerWaalsContact C-N 3.32Å; L235-F237 PolarHBondContact O-N 2.67Å; F237-H239 VanDerWaalsContact C-N 3.33Å; F237-P240 WeakPolarHBondContact O-CD 3.3Å
238	I	55.9	Low	54.2	Low	48 Å²	48	89.5 Å²	89.5	25%	0.246	47%	0.466	C	S	.	.	H	α-helix	trans	-71	-34	169.2	-67.9	-179.3	0	0	0	110.3	F234 L235 L241 A280	F234-I238 HydrophobicContact CD1-CD1 4.05Å; F234-I238 HydrophobicContact CE1-CD1 3.43Å; F234-I238 VanDerWaalsContact CE1-CD1 3.43Å; F234-I238 HydrophobicContact CE2-CD1 4.05Å; F234-I238 HydrophobicContact CZ-CD1 3.45Å; F234-I238 VanDerWaalsContact CZ-CD1 3.45Å; F234-I238 HydrophobicContact CZ-CG1 4.41Å; F234-I238 PolarHBondContact O-N 3.28Å; L235-I238 PolarHBondContact O-N 3.09Å; I238-L241 PolarHBondContact O-N 2.89Å; I238-A280 HydrophobicContact CD1-CB 4.41Å; I238-A280 HydrophobicContact CG2-CB 4.22Å
239	H	51.3	Low	52.8	Low	59 Å²	59	91.9 Å²	91.9	27%	0.273	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-67.6	-24.7	-175.4	-131.5	-70.4	0	0	0	118.2	L235 F237 F242 C248	L235-H239 WeakPolarHBondContact O-CB 3.32Å; L235-H239 PolarHBondContact O-N 2.81Å; L235-H239 VanDerWaalsContact O-N 3.09Å; F237-H239 VanDerWaalsContact C-N 3.33Å; H239-F242 VanDerWaalsContact C-CB 3.49Å; H239-F242 CarbonylContact O-C 3.5Å; H239-F242 WeakPolarHBondContact O-CA 3.2Å; H239-F242 WeakPolarHBondContact O-CB 3.35Å; H239-F242 PolarHBondContact O-N 3.48Å; H239-C248 PolarHBondContact CD2-SG 3.35Å; H239-C248 WeakPolarHBondContact NE2-CB 3.03Å
240	P	45.4	Very low	51.6	Low	88 Å²	88	89.7 Å²	89.7	57%	0.571	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-81.3	-10.9	175.7	23.3	-32.9	0	0	0	114.1	L236 F237 F242	L236-P240 WeakPolarHBondContact O-CD 3.35Å; F237-P240 WeakPolarHBondContact O-CD 3.3Å; P240-F242 PolarHBondContact O-N 3.03Å
241	L	44.6	Very low	50.2	Low	106 Å²	106	86.6 Å²	86.6	56%	0.555	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-75.4	3.4	157.3	-77.8	160.7	0	0	0	112.1	I238 Y284	I238-L241 PolarHBondContact O-N 2.89Å; L241-Y284 HydrophobicContact CD1-CD2 4.06Å; L241-Y284 HydrophobicContact CD1-CE2 3.68Å
242	F	46.6	Very low	49.2	Very low	38 Å²	38	85.1 Å²	85.1	17%	0.167	46%	0.459	C	S	.	.			trans	-135.4	45	-159	-125	-86.4	0	0	0	110.7	H239 P240 I244 E283	H239-F242 VanDerWaalsContact C-CB 3.49Å; H239-F242 CarbonylContact O-C 3.5Å; H239-F242 WeakPolarHBondContact O-CA 3.2Å; H239-F242 WeakPolarHBondContact O-CB 3.35Å; H239-F242 PolarHBondContact O-N 3.48Å; P240-F242 PolarHBondContact O-N 3.03Å; F242-I244 VanDerWaalsContact C-N 3.31Å; F242-I244 PolarHBondContact O-N 3.4Å; F242-E283 HydrophobicContact CE1-CB 4.5Å; F242-E283 HydrophobicContact CE2-CB 3.78Å; F242-E283 HydrophobicContact CZ-CB 3.36Å; F242-E283 HydrophobicContact CZ-CG 4.15Å; F242-E283 WeakPolarHBondContact CZ-OE2 3.42Å
243	T	36.5	Very low	48.3	Very low	123 Å²	123	85.1 Å²	85.1	76%	0.755	46%	0.457	S	S	*	.			trans	-75.1	93.4	168.8	-40.7	0	0	0	0	106.8
244	I	36	Very low	47.3	Very low	140 Å²	140	88.9 Å²	88.9	72%	0.718	47%	0.468	S	S	*	.	S	Bend	trans	156.5	123.8	152.2	-75.9	151.9	0	0	0	108	F242	F242-I244 VanDerWaalsContact C-N 3.31Å; F242-I244 PolarHBondContact O-N 3.4Å
245	V	36.6	Very low	46.4	Very low	100 Å²	100	86.2 Å²	86.2	61%	0.606	46%	0.458	S	S	*	.			trans	97.9	89.6	169.3	-157.6	0	0	0	0	119.6	S247	V245-S247 VanDerWaalsContact C-N 3.33Å; V245-S247 PolarHBondContact O-N 2.7Å
246	S	38.6	Very low	46	Very low	96 Å²	96	89.9 Å²	89.9	67%	0.671	48%	0.477	S	S	*	.	S	Bend		32.1	5.7	128.4	-65.2	0	0	0	0	125.8
247	S	42.3	Very low	45.4	Very low	86 Å²	86	91.8 Å²	91.8	60%	0.601	48%	0.483	S	S	*	.			trans	-101	-12.8	-172.6	-56.6	0	0	0	0	116	V245 F249	V245-S247 VanDerWaalsContact C-N 3.33Å; V245-S247 PolarHBondContact O-N 2.7Å; S247-F249 PolarHBondContact O-N 3.43Å
248	C	43.2	Very low	44.6	Very low	38 Å²	38	86.5 Å²	86.5	26%	0.257	47%	0.468	S	S	.	.	H	α-helix	trans	-76.5	-20.1	-173.8	-134.8	0	0	0	0	114.6	H239 W251 T252	H239-C248 PolarHBondContact CD2-SG 3.35Å; H239-C248 WeakPolarHBondContact NE2-CB 3.03Å; C248-W251 PolarHBondContact O-N 3.35Å; C248-T252 PolarHBondContact O-N 3.3Å; C248-T252 PolarHBondContact O-OG1 3.12Å
249	F	42.5	Very low	44	Very low	88 Å²	88	92.2 Å²	92.2	39%	0.386	49%	0.486	S	S	.	.	H	α-helix	trans	-79	-31.4	-174	-157.2	-96.1	0	0	0	113.7	S247 W251 T252 Q253 R572 E597	S247-F249 PolarHBondContact O-N 3.43Å; F249-W251 PolarHBondContact O-N 2.92Å; F249-T252 PolarHBondContact O-OG1 3.39Å; F249-Q253 PolarHBondContact O-N 2.92Å; F249-R572 HydrophobicContact CE1-CG 4.35Å; F249-E597 WeakPolarHBondContact CE2-OE1 3.47Å; F249-E597 HydrophobicContact CZ-CG 4.49Å; F249-E597 WeakPolarHBondContact CZ-OE1 3.3Å
250	I	47.3	Very low	43.6	Very low	112 Å²	112	100.4 Å²	100.4	57%	0.574	52%	0.515	S	S	*	.	H	α-helix	trans	-70.5	-28.4	174.6	-63.2	174.6	0	0	0	110.4	K254	I250-K254 PolarHBondContact O-N 3.05Å
251	W	41.4	Very low	43.3	Very low	67 Å²	67	100.9 Å²	100.9	25%	0.254	52%	0.52	S	S	.	.	H	α-helix	trans	-77.3	-42.9	-174.7	-137.6	80.9	0	0	0	112.5	L235 C248 F249 Q253 K254 L255 V272 E273 A276	L235-W251 HydrophobicContact CD1-CE3 3.91Å; L235-W251 HydrophobicContact CD1-CZ3 3.74Å; C248-W251 PolarHBondContact O-N 3.35Å; F249-W251 PolarHBondContact O-N 2.92Å; W251-Q253 VanDerWaalsContact C-N 3.32Å; W251-Q253 PolarHBondContact O-N 3.44Å; W251-K254 PolarHBondContact O-N 3.46Å; W251-L255 HydrophobicContact CE3-CD1 3.78Å; W251-L255 HydrophobicContact CH2-CD1 4.37Å; W251-L255 HydrophobicContact CZ3-CD1 3.55Å; W251-L255 PolarHBondContact O-N 3.42Å; W251-V272 HydrophobicContact CH2-CG1 4.16Å; W251-V272 HydrophobicContact CZ2-CG1 3.43Å; W251-V272 VanDerWaalsContact CZ2-CG1 3.43Å; W251-E273 HydrophobicContact CH2-CG 4.37Å; W251-A276 HydrophobicContact CH2-CB 3.7Å; W251-A276 HydrophobicContact CZ2-CB 3.31Å
252	T	49.6	Very low	42.9	Very low	44 Å²	44	104.1 Å²	104.1	27%	0.27	53%	0.53	S	S	.	.	H	α-helix	trans	-64.4	-35.3	173.3	46	0	0	0	0	112.3	L232 C248 F249 L255 L256	L232-T252 HydrophobicContact CD2-CG2 3.78Å; C248-T252 PolarHBondContact O-N 3.3Å; C248-T252 PolarHBondContact O-OG1 3.12Å; F249-T252 PolarHBondContact O-OG1 3.39Å; T252-L255 PolarHBondContact O-N 3.1Å; T252-L256 PolarHBondContact O-N 3.18Å; T252-L256 VanDerWaalsContact O-N 3.1Å
253	Q	48.1	Very low	42.7	Very low	80 Å²	80	111.8 Å²	111.8	37%	0.374	56%	0.563	S	S	.	*	H	α-helix	trans	-64.7	-42	173.7	-96.3	-155.6	-27.3	0	0	113.5	F249 W251 L255 L256 Q257	F249-Q253 PolarHBondContact O-N 2.92Å; W251-Q253 VanDerWaalsContact C-N 3.32Å; W251-Q253 PolarHBondContact O-N 3.44Å; Q253-L255 VanDerWaalsContact C-N 3.32Å; Q253-L255 PolarHBondContact O-N 3.35Å; Q253-L256 PolarHBondContact O-N 2.9Å; Q253-Q257 PolarHBondContact O-N 3.22Å
254	K	45.5	Very low	42.9	Very low	147 Å²	147	112.7 Å²	112.7	64%	0.639	56%	0.563	S	S	*	*	H	α-helix	trans	-64.8	-36.4	177.7	-79.9	-174.6	176.6	179.7	0	112.6	I250 W251 Q257 A258	I250-K254 PolarHBondContact O-N 3.05Å; W251-K254 PolarHBondContact O-N 3.46Å; K254-Q257 PolarHBondContact O-N 2.86Å; K254-A258 WeakPolarHBondContact O-CB 3.39Å; K254-A258 PolarHBondContact O-N 2.93Å; K254-A258 VanDerWaalsContact O-N 3.12Å
255	L	46	Very low	43.1	Very low	53 Å²	53	109 Å²	109	28%	0.277	54%	0.543	S	S	.	.	H	α-helix	trans	-67.7	-38.1	175.8	-116	139.8	0	0	0	112.4	W251 T252 Q253	W251-L255 HydrophobicContact CE3-CD1 3.78Å; W251-L255 HydrophobicContact CH2-CD1 4.37Å; W251-L255 HydrophobicContact CZ3-CD1 3.55Å; W251-L255 PolarHBondContact O-N 3.42Å; T252-L255 PolarHBondContact O-N 3.1Å; Q253-L255 VanDerWaalsContact C-N 3.32Å; Q253-L255 PolarHBondContact O-N 3.35Å
256	L	50.1	Low	43.4	Very low	111 Å²	111	108.2 Å²	108.2	58%	0.581	55%	0.546	S	S	*	.	H	α-helix	trans	-71.7	-35.1	174.6	-95.1	142	0	0	0	113.2	T252 Q253 A258 R259	T252-L256 PolarHBondContact O-N 3.18Å; T252-L256 VanDerWaalsContact O-N 3.1Å; Q253-L256 PolarHBondContact O-N 2.9Å; L256-A258 VanDerWaalsContact C-N 3.33Å; L256-R259 WeakPolarHBondContact O-CB 3.34Å; L256-R259 PolarHBondContact O-N 2.84Å
257	Q	47.6	Very low	43.6	Very low	150 Å²	150	109.5 Å²	109.5	70%	0.701	55%	0.55	S	S	*	.	H	α-helix	trans	-68.9	-32	175	-122	175.6	-0.6	0	0	112.4	Q253 K254 R259	Q253-Q257 PolarHBondContact O-N 3.22Å; K254-Q257 PolarHBondContact O-N 2.86Å; Q257-R259 PolarHBondContact O-N 3.41Å
258	A	41.6	Very low	43.4	Very low	42 Å²	42	113.1 Å²	113.1	35%	0.347	56%	0.555	S	S	.	*	H	α-helix	trans	-69.2	-17.1	175.1	0	0	0	0	0	113.5	K254 L256 R260 F265	K254-A258 WeakPolarHBondContact O-CB 3.39Å; K254-A258 PolarHBondContact O-N 2.93Å; K254-A258 VanDerWaalsContact O-N 3.12Å; L256-A258 VanDerWaalsContact C-N 3.33Å; A258-R260 PolarHBondContact O-N 3.34Å; A258-R260 VanDerWaalsContact O-N 3.09Å; A258-F265 HydrophobicContact CB-CD2 4.21Å; A258-F265 HydrophobicContact CB-CE2 3.79Å
259	R	42.8	Very low	43.5	Very low	169 Å²	169	112.3 Å²	112.3	64%	0.638	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-9.8	178.2	-152.2	174	-179.2	167.7	0.7	113.8	E225 L256 Q257	E225-R259 IonicContact OE1-NH2 3.93Å; E225-R259 PolarHBondContact OE1-NH2 2.93Å; L256-R259 WeakPolarHBondContact O-CB 3.34Å; L256-R259 PolarHBondContact O-N 2.84Å; Q257-R259 PolarHBondContact O-N 3.41Å
260	R	44.2	Very low	43.7	Very low	231 Å²	231	114.4 Å²	114.4	87%	0.872	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-2.6	-176.8	-76.1	-176.2	177	172.1	-0.5	116.2	A258	A258-R260 PolarHBondContact O-N 3.34Å; A258-R260 VanDerWaalsContact O-N 3.09Å
261	S	38.8	Very low	43.7	Very low	97 Å²	97	115.3 Å²	115.3	68%	0.678	56%	0.56	S	S	*	*			trans	-132.1	88.5	-179.6	-129.1	0	0	0	0	112.9	K263	S261-K263 PolarHBondContact O-N 3.32Å; S261-K263 VanDerWaalsContact O-N 3.15Å
262	F	35.3	Very low	44.2	Very low	174 Å²	174	114.8 Å²	114.8	76%	0.763	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	98.5	172.3	-118.5	-96.7	0	0	0	109.3
263	K	41.8	Very low	44.3	Very low	199 Å²	199	114.3 Å²	114.3	87%	0.865	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.9	-21.2	148	-99.3	160.8	-172.7	-174.4	0	114.5	S261	S261-K263 PolarHBondContact O-N 3.32Å; S261-K263 VanDerWaalsContact O-N 3.15Å
264	N	42.1	Very low	44.8	Very low	142 Å²	142	116 Å²	116	76%	0.759	57%	0.567	S	S	*	*	S	Bend	trans	-123.2	15.4	-175	-71.4	-20.5	0	0	0	115.5	A266	N264-A266 PolarHBondContact O-N 3.39Å
265	F	39.2	Very low	45.4	Very low	64 Å²	64	114.8 Å²	114.8	28%	0.281	56%	0.564	S	S	.	*	H	α-helix	trans	-66	-32.4	-168.5	-172.1	-100	0	0	0	115	A258 V267 S269	A258-F265 HydrophobicContact CB-CD2 4.21Å; A258-F265 HydrophobicContact CB-CE2 3.79Å; F265-V267 PolarHBondContact O-N 3.23Å; F265-S269 WeakPolarHBondContact O-CB 3.34Å; F265-S269 PolarHBondContact O-N 3.16Å; F265-S269 VanDerWaalsContact O-N 3.14Å
266	A	44.1	Very low	46	Very low	82 Å²	82	113 Å²	113	68%	0.678	56%	0.556	S	S	*	*	H	α-helix	trans	-63.9	-40.4	-170.3	0	0	0	0	0	113.9	N264	N264-A266 PolarHBondContact O-N 3.39Å
267	V	42.7	Very low	46.3	Very low	124 Å²	124	111.5 Å²	111.5	75%	0.752	55%	0.549	S	S	*	.	H	α-helix	trans	-79.5	-38.6	-174.4	-178	0	0	0	0	111.6	F265	F265-V267 PolarHBondContact O-N 3.23Å
268	F	37	Very low	47.2	Very low	162 Å²	162	108.2 Å²	108.2	71%	0.711	54%	0.542	S	S	*	.	H	α-helix	trans	-75.4	-35.3	-177.6	-155.9	-92.8	0	0	0	112.1	F270 V272	F268-F270 VanDerWaalsContact C-N 3.33Å; F268-F270 PolarHBondContact O-N 3.28Å; F268-V272 HydrophobicContact CD1-CG2 4.26Å; F268-V272 HydrophobicContact CE1-CG2 4.1Å; F268-V272 WeakPolarHBondContact O-CG2 3.45Å
269	S	45.5	Very low	48.3	Very low	20 Å²	20	111.8 Å²	111.8	14%	0.14	55%	0.552	C	S	.	*	H	α-helix	trans	-63.2	-38.9	174.9	-176.3	0	0	0	0	112	F265 H271 E273	F265-S269 WeakPolarHBondContact O-CB 3.34Å; F265-S269 PolarHBondContact O-N 3.16Å; F265-S269 VanDerWaalsContact O-N 3.14Å; S269-H271 PolarHBondContact O-N 3.38Å; S269-E273 WeakPolarHBondContact O-CG 3.39Å; S269-E273 PolarHBondContact O-N 3.16Å; S269-E273 VanDerWaalsContact O-N 3.1Å
270	F	47.5	Very low	49.2	Very low	133 Å²	133	104.6 Å²	104.6	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-63.4	-44	-175.3	-173.6	-96.5	0	0	0	112.6	F268 Q274	F268-F270 VanDerWaalsContact C-N 3.33Å; F268-F270 PolarHBondContact O-N 3.28Å; F270-Q274 PolarHBondContact O-N 3.01Å; F270-Q274 VanDerWaalsContact O-N 3.16Å
271	H	46.5	Very low	50.1	Low	131 Å²	131	97 Å²	97	61%	0.606	51%	0.511	S	S	*	.	H	α-helix	trans	-70.4	-37.5	-176.8	-137.5	73.7	0	0	0	112.4	S269 Q275	S269-H271 PolarHBondContact O-N 3.38Å; H271-Q275 PolarHBondContact O-N 3.27Å
272	V	51.8	Low	51.5	Low	55 Å²	55	98.8 Å²	98.8	33%	0.333	51%	0.508	S	S	.	.	H	α-helix	trans	-69.6	-38.7	179.2	172.7	0	0	0	0	111.2	W251 F268 A276	W251-V272 HydrophobicContact CH2-CG1 4.16Å; W251-V272 HydrophobicContact CZ2-CG1 3.43Å; W251-V272 VanDerWaalsContact CZ2-CG1 3.43Å; F268-V272 HydrophobicContact CD1-CG2 4.26Å; F268-V272 HydrophobicContact CE1-CG2 4.1Å; F268-V272 WeakPolarHBondContact O-CG2 3.45Å; V272-A276 PolarHBondContact O-N 3.22Å
273	E	52.4	Low	52.8	Low	34 Å²	34	95 Å²	95	16%	0.159	49%	0.493	C	S	.	.	H	α-helix	trans	-66.8	-46.6	176.4	-77.7	-174.9	138.2	0	0	113.2	R231 W251 S269 Q275 A276 D277	R231-E273 WeakPolarHBondContact CD-OE1 3.36Å; R231-E273 IonicContact CZ-OE1 3.49Å; R231-E273 IonicContact CZ-OE2 2.69Å; R231-E273 IonicContact NE-OE1 3.31Å; R231-E273 PolarHBondContact NE-OE1 2.91Å; R231-E273 IonicContact NE-OE2 3.3Å; R231-E273 IonicContact NH1-OE1 3.38Å; R231-E273 PolarHBondContact NH1-OE1 2.94Å; R231-E273 IonicContact NH1-OE2 2.84Å; R231-E273 PolarHBondContact NH1-OE2 3.02Å; R231-E273 IonicContact NH2-OE1 3.86Å; R231-E273 PolarHBondContact NH2-OE1 2.9Å; R231-E273 IonicContact NH2-OE2 3.08Å; R231-E273 PolarHBondContact NH2-OE2 2.67Å; W251-E273 HydrophobicContact CH2-CG 4.37Å; S269-E273 WeakPolarHBondContact O-CG 3.39Å; S269-E273 PolarHBondContact O-N 3.16Å; S269-E273 VanDerWaalsContact O-N 3.1Å; E273-Q275 PolarHBondContact O-N 3.07Å; E273-A276 PolarHBondContact O-N 3.39Å; E273-A276 VanDerWaalsContact O-N 3.08Å; E273-D277 PolarHBondContact O-N 3.27Å
274	Q	59.2	Low	53.8	Low	116 Å²	116	90.1 Å²	90.1	54%	0.542	47%	0.47	S	S	.	.	H	α-helix	trans	-58.4	-36.5	179.6	-173.3	174.6	55.8	0	0	111.8	F270 S278	F270-Q274 PolarHBondContact O-N 3.01Å; F270-Q274 VanDerWaalsContact O-N 3.16Å; Q274-S278 WeakPolarHBondContact O-CB 3.31Å; Q274-S278 PolarHBondContact O-N 2.76Å
275	Q	56.6	Low	55.2	Low	122 Å²	122	88 Å²	88	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-71.2	-38.6	177.8	-167	168.1	-2	0	0	112.5	H271 E273 S278 Q279	H271-Q275 PolarHBondContact O-N 3.27Å; E273-Q275 PolarHBondContact O-N 3.07Å; Q275-S278 PolarHBondContact O-N 3.31Å; Q275-Q279 PolarHBondContact O-N 2.84Å
276	A	58.7	Low	56.7	Low	14 Å²	14	90.8 Å²	90.8	12%	0.116	47%	0.47	C	S	.	.	H	α-helix	trans	-68.8	-42.2	176.5	0	0	0	0	0	112.8	W251 V272 E273 S278 Q279 A280	W251-A276 HydrophobicContact CH2-CB 3.7Å; W251-A276 HydrophobicContact CZ2-CB 3.31Å; V272-A276 PolarHBondContact O-N 3.22Å; E273-A276 PolarHBondContact O-N 3.39Å; E273-A276 VanDerWaalsContact O-N 3.08Å; A276-S278 VanDerWaalsContact C-N 3.28Å; A276-S278 PolarHBondContact O-N 3.04Å; A276-Q279 PolarHBondContact O-N 2.8Å; A276-A280 WeakPolarHBondContact O-CB 3.42Å; A276-A280 PolarHBondContact O-N 2.94Å
277	D	57.9	Low	57.8	Low	81 Å²	81	89.3 Å²	89.3	43%	0.433	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-40.2	175.6	-77.4	-14.7	0	0	0	111.3	E273 S281	E273-D277 PolarHBondContact O-N 3.27Å; D277-S281 WeakPolarHBondContact O-CB 3.32Å; D277-S281 PolarHBondContact O-N 2.86Å; D277-S281 VanDerWaalsContact O-N 3.11Å; D277-S281 PolarHBondContact O-OG 2.69Å
278	S	65.2	Low	59	Low	81 Å²	81	86.7 Å²	86.7	57%	0.566	43%	0.434	S	S	*	.	H	α-helix	trans	-67.1	-42	176.8	-175.8	0	0	0	0	112.4	Q274 Q275 A276 H282	Q274-S278 WeakPolarHBondContact O-CB 3.31Å; Q274-S278 PolarHBondContact O-N 2.76Å; Q275-S278 PolarHBondContact O-N 3.31Å; A276-S278 VanDerWaalsContact C-N 3.28Å; A276-S278 PolarHBondContact O-N 3.04Å; S278-H282 PolarHBondContact O-N 2.83Å; S278-H282 VanDerWaalsContact O-N 3.1Å
279	Q	65.3	Low	60.6	Low	117 Å²	117	85.6 Å²	85.6	55%	0.547	43%	0.431	S	S	.	.	H	α-helix	trans	-66.7	-47	177.3	-84	-177.1	-54.1	0	0	112.1	Q275 A276 S281 H282 E283	Q275-Q279 PolarHBondContact O-N 2.84Å; A276-Q279 PolarHBondContact O-N 2.8Å; Q279-S281 VanDerWaalsContact C-N 3.28Å; Q279-S281 PolarHBondContact O-N 3.45Å; Q279-H282 PolarHBondContact O-N 2.94Å; Q279-H282 VanDerWaalsContact O-N 3.13Å; Q279-E283 PolarHBondContact O-N 3.03Å
280	A	62.2	Low	61.8	Low	18 Å²	18	89.1 Å²	89.1	15%	0.149	45%	0.445	C	S	.	.	H	α-helix	trans	-56.8	-43.1	177.6	0	0	0	0	0	111.9	I238 A276 Y284	I238-A280 HydrophobicContact CD1-CB 4.41Å; I238-A280 HydrophobicContact CG2-CB 4.22Å; A276-A280 WeakPolarHBondContact O-CB 3.42Å; A276-A280 PolarHBondContact O-N 2.94Å; A280-Y284 WeakPolarHBondContact O-CB 3.32Å; A280-Y284 PolarHBondContact O-N 2.83Å
281	S	62.7	Low	62.7	Low	72 Å²	72	86.1 Å²	86.1	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-42.8	176.8	-59.4	0	0	0	0	112.3	D277 Q279 L285	D277-S281 WeakPolarHBondContact O-CB 3.32Å; D277-S281 PolarHBondContact O-N 2.86Å; D277-S281 VanDerWaalsContact O-N 3.11Å; D277-S281 PolarHBondContact O-OG 2.69Å; Q279-S281 VanDerWaalsContact C-N 3.28Å; Q279-S281 PolarHBondContact O-N 3.45Å; S281-L285 WeakPolarHBondContact O-CG 3.37Å; S281-L285 PolarHBondContact O-N 2.81Å
282	H	67.1	Low	63.6	Low	134 Å²	134	83 Å²	83	62%	0.62	43%	0.425	S	S	*	.	H	α-helix	trans	-66.7	-42.4	-180	-171.5	65.5	0	0	0	112.1	S278 Q279 L285 K286	S278-H282 PolarHBondContact O-N 2.83Å; S278-H282 VanDerWaalsContact O-N 3.1Å; Q279-H282 PolarHBondContact O-N 2.94Å; Q279-H282 VanDerWaalsContact O-N 3.13Å; H282-L285 PolarHBondContact O-N 3.08Å; H282-K286 PolarHBondContact O-N 2.84Å
283	E	63	Low	64.5	Low	93 Å²	93	89.6 Å²	89.6	44%	0.435	44%	0.444	S	S	.	.	H	α-helix	trans	-72.6	-34	179.2	-68	-170.9	134.8	0	0	112.6	F242 Q279 L285 K286 T287	F242-E283 HydrophobicContact CE1-CB 4.5Å; F242-E283 HydrophobicContact CE2-CB 3.78Å; F242-E283 HydrophobicContact CZ-CB 3.36Å; F242-E283 HydrophobicContact CZ-CG 4.15Å; F242-E283 WeakPolarHBondContact CZ-OE2 3.42Å; Q279-E283 PolarHBondContact O-N 3.03Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 2.78Å; E283-K286 WeakPolarHBondContact O-CB 3.35Å; E283-K286 PolarHBondContact O-N 2.84Å; E283-K286 VanDerWaalsContact O-N 3.15Å; E283-T287 PolarHBondContact O-N 2.79Å; E283-T287 PolarHBondContact O-OG1 2.84Å
284	Y	62.8	Low	65.1	Low	97 Å²	97	93.9 Å²	93.9	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-56.7	-45.2	170.4	172.6	-104.5	0	0	0	112	L241 A280 K286 T287 L288	L241-Y284 HydrophobicContact CD1-CD2 4.06Å; L241-Y284 HydrophobicContact CD1-CE2 3.68Å; A280-Y284 WeakPolarHBondContact O-CB 3.32Å; A280-Y284 PolarHBondContact O-N 2.83Å; Y284-K286 VanDerWaalsContact C-N 3.3Å; Y284-K286 PolarHBondContact O-N 3.15Å; Y284-T287 PolarHBondContact O-N 2.89Å; Y284-L288 HydrophobicContact CD1-CD1 4.08Å; Y284-L288 HydrophobicContact CE1-CD1 3.42Å; Y284-L288 VanDerWaalsContact CE1-CD1 3.42Å; Y284-L288 HydrophobicContact CE1-CG 4.2Å; Y284-L288 HydrophobicContact CE2-CD1 4.37Å; Y284-L288 HydrophobicContact CE2-CG 4.33Å; Y284-L288 PolarHBondContact O-N 3.27Å
285	L	71.7	Confident	65.4	Low	99 Å²	99	93.1 Å²	93.1	52%	0.518	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-39.1	176.3	-71.1	172.9	0	0	0	111.8	S281 H282 E283 L288 E289	S281-L285 WeakPolarHBondContact O-CG 3.37Å; S281-L285 PolarHBondContact O-N 2.81Å; H282-L285 PolarHBondContact O-N 3.08Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 2.78Å; L285-L288 WeakPolarHBondContact O-CB 3.13Å; L285-L288 PolarHBondContact O-N 2.79Å; L285-E289 PolarHBondContact O-N 3.24Å
286	K	70.6	Confident	65.6	Low	122 Å²	122	89.6 Å²	89.6	53%	0.53	45%	0.452	S	S	.	.	H	α-helix	trans	-64.3	-42.4	176.5	-169.1	-177.9	176.9	-172.6	0	112.3	H282 E283 Y284 L288 E289 E290	H282-K286 PolarHBondContact O-N 2.84Å; E283-K286 WeakPolarHBondContact O-CB 3.35Å; E283-K286 PolarHBondContact O-N 2.84Å; E283-K286 VanDerWaalsContact O-N 3.15Å; Y284-K286 VanDerWaalsContact C-N 3.3Å; Y284-K286 PolarHBondContact O-N 3.15Å; K286-L288 VanDerWaalsContact C-N 3.32Å; K286-L288 PolarHBondContact O-N 3.04Å; K286-E289 WeakPolarHBondContact O-CB 3.48Å; K286-E289 PolarHBondContact O-N 3.4Å; K286-E290 PolarHBondContact O-N 3Å
287	T	67.9	Low	65.8	Low	50 Å²	50	93.4 Å²	93.4	31%	0.307	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-39.9	175.2	-57.8	0	0	0	0	111.5	E283 Y284 E290 I291	E283-T287 PolarHBondContact O-N 2.79Å; E283-T287 PolarHBondContact O-OG1 2.84Å; Y284-T287 PolarHBondContact O-N 2.89Å; T287-E290 PolarHBondContact O-N 2.83Å; T287-I291 HydrophobicContact CG2-CD1 4.19Å; T287-I291 WeakPolarHBondContact O-CG1 3.46Å; T287-I291 PolarHBondContact O-N 3.11Å
288	L	67.3	Low	66.2	Low	70 Å²	70	94.5 Å²	94.5	37%	0.366	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-42.6	173.8	-75.1	176.6	0	0	0	112.2	Y284 L285 K286 E290 T292	Y284-L288 HydrophobicContact CD1-CD1 4.08Å; Y284-L288 HydrophobicContact CE1-CD1 3.42Å; Y284-L288 VanDerWaalsContact CE1-CD1 3.42Å; Y284-L288 HydrophobicContact CE1-CG 4.2Å; Y284-L288 HydrophobicContact CE2-CD1 4.37Å; Y284-L288 HydrophobicContact CE2-CG 4.33Å; Y284-L288 PolarHBondContact O-N 3.27Å; L285-L288 WeakPolarHBondContact O-CB 3.13Å; L285-L288 PolarHBondContact O-N 2.79Å; K286-L288 VanDerWaalsContact C-N 3.32Å; K286-L288 PolarHBondContact O-N 3.04Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 3.19Å; L288-T292 WeakPolarHBondContact O-CB 3.49Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 PolarHBondContact O-OG1 2.98Å
289	E	71.8	Confident	66.4	Low	139 Å²	139	97 Å²	97	65%	0.65	48%	0.478	S	S	*	.	H	α-helix	trans	-61.2	-39.8	174.4	-73.3	179.8	171.2	0	0	111.7	L285 K286 T292 R293	L285-E289 PolarHBondContact O-N 3.24Å; K286-E289 WeakPolarHBondContact O-CB 3.48Å; K286-E289 PolarHBondContact O-N 3.4Å; E289-T292 WeakPolarHBondContact O-CB 3.43Å; E289-T292 PolarHBondContact O-N 3.18Å; E289-R293 PolarHBondContact O-N 3.44Å
290	E	69.7	Low	66.5	Low	94 Å²	94	97.3 Å²	97.3	44%	0.439	48%	0.479	S	S	.	.	H	α-helix	trans	-70.3	-42	-179.6	-163.7	130.4	-152.2	0	0	112.5	K286 T287 L288 T292 R293 I294	K286-E290 PolarHBondContact O-N 3Å; T287-E290 PolarHBondContact O-N 2.83Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 3.19Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 3.45Å; E290-R293 WeakPolarHBondContact O-CB 3.43Å; E290-R293 PolarHBondContact O-N 3.01Å; E290-R293 VanDerWaalsContact O-N 3.17Å; E290-I294 HydrophobicContact CG-CD1 3.98Å; E290-I294 VanDerWaalsContact O-CG1 3.3Å; E290-I294 WeakPolarHBondContact O-CG1 3.34Å; E290-I294 PolarHBondContact O-N 2.9Å
291	I	66.5	Low	66.5	Low	70 Å²	70	99.2 Å²	99.2	36%	0.359	49%	0.491	S	S	.	.	H	α-helix	trans	-59.7	-44.8	170.7	-67.8	169.5	0	0	0	110.1	T287 R293 I294 Q295	T287-I291 HydrophobicContact CG2-CD1 4.19Å; T287-I291 WeakPolarHBondContact O-CG1 3.46Å; T287-I291 PolarHBondContact O-N 3.11Å; I291-R293 PolarHBondContact O-N 3.37Å; I291-I294 PolarHBondContact O-N 2.93Å; I291-Q295 WeakPolarHBondContact O-CB 3.48Å; I291-Q295 PolarHBondContact O-N 3.13Å
292	T	66.3	Low	66.4	Low	66 Å²	66	100.9 Å²	100.9	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-59	-37.9	177.2	-53.4	0	0	0	0	111.2	L288 E289 E290 S296 Y299	L288-T292 WeakPolarHBondContact O-CB 3.49Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 PolarHBondContact O-OG1 2.98Å; E289-T292 WeakPolarHBondContact O-CB 3.43Å; E289-T292 PolarHBondContact O-N 3.18Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 3.45Å; T292-S296 PolarHBondContact O-N 2.95Å; T292-Y299 HydrophobicContact CG2-CD2 4.3Å; T292-Y299 HydrophobicContact CG2-CE2 4.05Å
293	R	69	Low	65.7	Low	193 Å²	193	98.9 Å²	98.9	73%	0.728	49%	0.492	S	S	*	.	H	α-helix	trans	-70.7	-43.6	177.1	-160.6	-175.8	96.2	167	3.7	112.8	E289 E290 I291	E289-R293 PolarHBondContact O-N 3.44Å; E290-R293 WeakPolarHBondContact O-CB 3.43Å; E290-R293 PolarHBondContact O-N 3.01Å; E290-R293 VanDerWaalsContact O-N 3.17Å; I291-R293 PolarHBondContact O-N 3.37Å
294	I	66.1	Low	65.1	Low	124 Å²	124	97.2 Å²	97.2	64%	0.636	49%	0.49	S	S	*	.	H	α-helix	trans	-73.9	-37.4	-176.2	-66.4	166.1	0	0	0	111.1	E290 I291	E290-I294 HydrophobicContact CG-CD1 3.98Å; E290-I294 VanDerWaalsContact O-CG1 3.3Å; E290-I294 WeakPolarHBondContact O-CG1 3.34Å; E290-I294 PolarHBondContact O-N 2.9Å; I291-I294 PolarHBondContact O-N 2.93Å
295	Q	65.6	Low	64.2	Low	100 Å²	100	98.4 Å²	98.4	47%	0.467	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	34.9	-180	-67.7	-173.1	-33.5	0	0	112.2	I291 D297 V298 Y299	I291-Q295 WeakPolarHBondContact O-CB 3.48Å; I291-Q295 PolarHBondContact O-N 3.13Å; Q295-D297 PolarHBondContact O-N 3.22Å; Q295-D297 VanDerWaalsContact O-N 3.09Å; Q295-V298 HydrophobicContact CB-CB 4.28Å; Q295-V298 HydrophobicContact CB-CG2 3.81Å; Q295-V298 HydrophobicContact CG-CG2 4.4Å; Q295-V298 VanDerWaalsContact O-CB 3.3Å; Q295-V298 WeakPolarHBondContact O-CB 3.44Å; Q295-V298 PolarHBondContact O-N 3.36Å; Q295-Y299 VanDerWaalsContact O-CD2 3.29Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.37Å
296	S	61.4	Low	63.1	Low	48 Å²	48	98.9 Å²	98.9	34%	0.336	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-46.5	-41.9	178	146	0	0	0	0	112.6	T292 V298 Y299 H300	T292-S296 PolarHBondContact O-N 2.95Å; S296-V298 PolarHBondContact O-N 3.32Å; S296-Y299 PolarHBondContact O-N 3.11Å; S296-Y299 VanDerWaalsContact O-N 3.14Å; S296-H300 PolarHBondContact O-CD2 3.3Å
297	D	62.8	Low	62.1	Low	93 Å²	93	98.5 Å²	98.5	50%	0.497	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-64.9	-22.9	-178.6	-60.4	-31.9	0	0	0	113.5	Q295 Y299 S304	Q295-D297 PolarHBondContact O-N 3.22Å; Q295-D297 VanDerWaalsContact O-N 3.09Å; D297-Y299 VanDerWaalsContact C-N 3.28Å; D297-Y299 PolarHBondContact O-N 3.38Å; D297-S304 WeakPolarHBondContact OD1-CB 3.42Å; D297-S304 PolarHBondContact OD1-OG 3.06Å; D297-S304 PolarHBondContact OD2-OG 3.27Å; D297-S304 VanDerWaalsContact OD2-OG 3.13Å
298	V	65.6	Low	61.2	Low	105 Å²	105	105 Å²	105	64%	0.636	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-70.5	-25.8	177.3	179.9	0	0	0	0	111.7	Q295 S296	Q295-V298 HydrophobicContact CB-CB 4.28Å; Q295-V298 HydrophobicContact CB-CG2 3.81Å; Q295-V298 HydrophobicContact CG-CG2 4.4Å; Q295-V298 VanDerWaalsContact O-CB 3.3Å; Q295-V298 WeakPolarHBondContact O-CB 3.44Å; Q295-V298 PolarHBondContact O-N 3.36Å; S296-V298 PolarHBondContact O-N 3.32Å
299	Y	68.5	Low	60.4	Low	133 Å²	133	104.3 Å²	104.3	52%	0.522	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-95.2	-5.9	-177.3	-58.4	-81.9	0	0	0	113.5	T292 Q295 S296 D297	T292-Y299 HydrophobicContact CG2-CD2 4.3Å; T292-Y299 HydrophobicContact CG2-CE2 4.05Å; Q295-Y299 VanDerWaalsContact O-CD2 3.29Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.37Å; S296-Y299 PolarHBondContact O-N 3.11Å; S296-Y299 VanDerWaalsContact O-N 3.14Å; D297-Y299 VanDerWaalsContact C-N 3.28Å; D297-Y299 PolarHBondContact O-N 3.38Å
300	H	68.3	Low	59.5	Low	123 Å²	123	103.4 Å²	103.4	57%	0.569	57%	0.568	S	S	*	*			trans	-110.2	137.2	-179.2	-68.1	-56.4	0	0	0	111.4	S296 V302	S296-H300 PolarHBondContact O-CD2 3.3Å; H300-V302 PolarHBondContact O-N 3.39Å
301	S	61.4	Low	58.9	Low	58 Å²	58	102.1 Å²	102.1	41%	0.406	56%	0.561	S	S	.	*	S	Bend	trans	-79.2	-1.7	-176.3	68.6	0	0	0	0	114.6	S400	S301-S400 VanDerWaalsContact O-CB 3.23Å; S301-S400 WeakPolarHBondContact O-CB 3.4Å
302	V	59.9	Low	58.8	Low	107 Å²	107	103.9 Å²	103.9	65%	0.648	57%	0.571	S	S	*	*	S	Bend	trans	-122.6	119	-175.8	-175	0	0	0	0	107.2	H300 S304	H300-V302 PolarHBondContact O-N 3.39Å; V302-S304 PolarHBondContact O-N 2.88Å
303	D	54.2	Low	58.7	Low	93 Å²	93	106.9 Å²	106.9	50%	0.497	58%	0.581	S	S	.	*			trans	-57	120.8	178	-72.6	-30.9	0	0	0	109	S305	D303-S305 PolarHBondContact O-N 3.08Å
304	S	48.9	Very low	58.6	Low	57 Å²	57	107.8 Å²	107.8	40%	0.399	58%	0.584	S	S	.	*			trans	-62.6	121.1	168.6	60.4	0	0	0	0	107.1	D297 V302 S306	D297-S304 WeakPolarHBondContact OD1-CB 3.42Å; D297-S304 PolarHBondContact OD1-OG 3.06Å; D297-S304 PolarHBondContact OD2-OG 3.27Å; D297-S304 VanDerWaalsContact OD2-OG 3.13Å; V302-S304 PolarHBondContact O-N 2.88Å; S304-S306 PolarHBondContact O-N 2.9Å
305	S	45	Very low	58.9	Low	122 Å²	122	103.9 Å²	103.9	85%	0.853	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	93.2	-166.1	52.4	0	0	0	0	112.3	D303	D303-S305 PolarHBondContact O-N 3.08Å
306	S	47.8	Very low	59.6	Low	110 Å²	110	106.5 Å²	106.5	77%	0.769	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.3	-7.3	160.3	60.4	0	0	0	0	117	S304	S304-S306 PolarHBondContact O-N 2.9Å
307	V	49.8	Very low	60.8	Low	114 Å²	114	108.9 Å²	108.9	69%	0.691	58%	0.579	S	S	*	*			trans	-132.8	119.2	178.2	-174.7	0	0	0	0	109.8	P309	V307-P309 WeakPolarHBondContact O-CD 3.48Å
308	Q	50.2	Low	62.2	Low	186 Å²	186	106.4 Å²	106.4	87%	0.869	56%	0.563	S	S	*	*			trans	-63.3	124.6	171	-79.6	-153.7	-24.2	0	0	108.9	S310	Q308-S310 PolarHBondContact O-N 3.26Å
309	P	49.7	Very low	63.5	Low	56 Å²	56	106.1 Å²	106.1	36%	0.364	56%	0.555	S	S	.	*			trans	-64.2	121.5	-179.9	22.1	-29.3	0	0	0	109.7	V307 F311 K402	V307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-F311 PolarHBondContact O-N 3.41Å; P309-K402 HydrophobicContact CB-CD 3.64Å; P309-K402 HydrophobicContact CB-CG 4.31Å; P309-K402 HydrophobicContact CG-CD 4.12Å; P309-K402 HydrophobicContact CG-CG 4.46Å
310	S	52.7	Low	64.6	Low	119 Å²	119	100.6 Å²	100.6	83%	0.832	54%	0.539	S	S	*	.			trans	-67.9	102.3	169.3	58.9	0	0	0	0	108.3	Q308	Q308-S310 PolarHBondContact O-N 3.26Å
311	F	57.8	Low	65.8	Low	68 Å²	68	100.8 Å²	100.8	30%	0.298	54%	0.535	S	S	.	.			trans	-86.8	119.2	178.4	173.5	-126.9	0	0	0	109.2	P309 E313 E406 S409	P309-F311 PolarHBondContact O-N 3.41Å; F311-E313 HydrophobicContact CD1-CB 4.2Å; F311-E313 HydrophobicContact CD1-CG 3.45Å; F311-E313 VanDerWaalsContact CD1-CG 3.45Å; F311-E313 WeakPolarHBondContact CD1-OE1 2.85Å; F311-E313 HydrophobicContact CE1-CB 3.65Å; F311-E313 HydrophobicContact CE1-CG 3.32Å; F311-E313 VanDerWaalsContact CE1-OE1 3.3Å; F311-E313 WeakPolarHBondContact CE1-OE1 3.27Å; F311-E313 HydrophobicContact CG-CG 4.43Å; F311-E313 HydrophobicContact CZ-CB 4.09Å; F311-E313 HydrophobicContact CZ-CG 4.22Å; F311-E313 PolarHBondContact O-N 3.12Å; F311-E406 HydrophobicContact CD2-CG 3.69Å; F311-E406 HydrophobicContact CE2-CB 4.2Å; F311-E406 HydrophobicContact CE2-CG 3.67Å; F311-S409 VanDerWaalsContact CZ-CB 3.49Å
312	D	63.5	Low	67.4	Low	107 Å²	107	98.1 Å²	98.1	57%	0.572	52%	0.516	S	S	*	.			trans	-87.7	90.8	171.5	-170.8	-1.4	0	0	0	109.4	R314 S315	D312-R314 PolarHBondContact O-N 2.99Å; D312-R314 WeakPolarHBondContact OD1-CB 3.2Å; D312-R314 PolarHBondContact OD1-N 3.24Å; D312-R314 VanDerWaalsContact OD1-N 3.15Å; D312-S315 PolarHBondContact O-N 3.36Å
313	E	63.6	Low	69	Low	129 Å²	129	95.4 Å²	95.4	60%	0.603	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-3.6	-179.7	-30.7	-156.2	119.3	0	0	113.4	F311 S409 N413	F311-E313 HydrophobicContact CD1-CB 4.2Å; F311-E313 HydrophobicContact CD1-CG 3.45Å; F311-E313 VanDerWaalsContact CD1-CG 3.45Å; F311-E313 WeakPolarHBondContact CD1-OE1 2.85Å; F311-E313 HydrophobicContact CE1-CB 3.65Å; F311-E313 HydrophobicContact CE1-CG 3.32Å; F311-E313 VanDerWaalsContact CE1-OE1 3.3Å; F311-E313 WeakPolarHBondContact CE1-OE1 3.27Å; F311-E313 HydrophobicContact CG-CG 4.43Å; F311-E313 HydrophobicContact CZ-CB 4.09Å; F311-E313 HydrophobicContact CZ-CG 4.22Å; F311-E313 PolarHBondContact O-N 3.12Å; E313-S409 PolarHBondContact O-OG 3.38Å; E313-S409 VanDerWaalsContact O-OG 3.05Å; E313-N413 PolarHBondContact O-ND2 3.03Å
314	R	67.6	Low	70.9	Confident	212 Å²	212	92 Å²	92	80%	0.8	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	1.4	-179.7	-61.2	-178.5	180	-179	0.8	113.2	D312 R316	D312-R314 PolarHBondContact O-N 2.99Å; D312-R314 WeakPolarHBondContact OD1-CB 3.2Å; D312-R314 PolarHBondContact OD1-N 3.24Å; D312-R314 VanDerWaalsContact OD1-N 3.15Å; R314-R316 PolarHBondContact O-N 3.32Å
315	S	73.4	Confident	72.9	Confident	41 Å²	41	91 Å²	91	29%	0.287	47%	0.466	S	S	.	.			trans	-57.9	126.5	179.1	-174.7	0	0	0	0	110.7	D312 H317 A410 N413	D312-S315 PolarHBondContact O-N 3.36Å; S315-H317 PolarHBondContact OG-N 3.43Å; S315-H317 PolarHBondContact OG-O 3.47Å; S315-A410 WeakPolarHBondContact O-CA 3.4Å; S315-N413 PolarHBondContact O-ND2 3.28Å
316	R	79.9	Confident	74.8	Confident	156 Å²	156	86.9 Å²	86.9	59%	0.589	44%	0.437	S	S	*	.			trans	-108.5	16.1	173.1	-64.7	-175.7	-178.8	-160.7	-3.5	111.9	R314 N413 I414	R314-R316 PolarHBondContact O-N 3.32Å; R316-N413 HydrophobicContact CG-CB 4.19Å; R316-I414 HydrophobicContact CB-CG1 4.2Å; R316-I414 WeakPolarHBondContact O-CD1 3.48Å; R316-I414 WeakPolarHBondContact O-CG1 3.31Å
317	H	87	Confident	75.9	Confident	97 Å²	97	87.9 Å²	87.9	45%	0.449	43%	0.428	S	S	.	.			trans	-144.1	129	176.6	-177.1	76.3	0	0	0	110.4	S315 T341	S315-H317 PolarHBondContact OG-N 3.43Å; S315-H317 PolarHBondContact OG-O 3.47Å; H317-T341 VanDerWaalsContact CA-OG1 3.31Å; H317-T341 WeakPolarHBondContact CA-OG1 3.45Å; H317-T341 PolarHBondContact CE1-O 3.33Å; H317-T341 VanDerWaalsContact CE1-O 3.28Å; H317-T341 PolarHBondContact ND1-O 3.11Å; H317-T341 PolarHBondContact ND1-OG1 3.38Å
318	K	91.2	Very high	76.5	Confident	41 Å²	41	85.9 Å²	85.9	18%	0.178	42%	0.417	C	S	.	.			trans	-143.1	143.8	173.3	-159.9	63.2	157.2	103.5	0	110.5	H340 T341 E406 W407 A410	K318-H340 CarbonylContact O-C 3.54Å; K318-H340 WeakPolarHBondContact O-CA 3.12Å; K318-T341 PolarHBondContact N-OG1 3.1Å; K318-T341 PolarHBondContact O-N 3.41Å; K318-T341 PolarHBondContact O-OG1 3.46Å; K318-E406 VanDerWaalsContact CE-CB 3.44Å; K318-E406 WeakPolarHBondContact CE-OE2 3.44Å; K318-E406 IonicContact NZ-OE2 2.67Å; K318-E406 PolarHBondContact NZ-OE2 2.86Å; K318-W407 HydrophobicContact CB-CD2 4.24Å; K318-W407 HydrophobicContact CB-CE3 3.94Å; K318-W407 HydrophobicContact CB-CH2 4.12Å; K318-W407 HydrophobicContact CB-CZ2 4.4Å; K318-W407 HydrophobicContact CB-CZ3 3.86Å; K318-W407 HydrophobicContact CG-CD2 3.63Å; K318-W407 HydrophobicContact CG-CE3 3.87Å; K318-W407 HydrophobicContact CG-CG 4.2Å; K318-W407 HydrophobicContact CG-CH2 4.07Å; K318-W407 HydrophobicContact CG-CZ2 3.84Å; K318-W407 HydrophobicContact CG-CZ3 4.07Å; K318-A410 HydrophobicContact CB-CB 3.84Å
319	Q	92.9	Very high	76.9	Confident	100 Å²	100	83 Å²	83	47%	0.467	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.3	173.8	62.8	178.6	-13.4	0	0	110.6	Y338 F339 H340	Q319-Y338 HydrophobicContact CB-CE1 4.4Å; Q319-Y338 VanDerWaalsContact CD-OH 3.24Å; Q319-Y338 WeakPolarHBondContact CG-OH 3.48Å; Q319-Y338 PolarHBondContact OE1-OH 3.08Å; Q319-F339 CarbonylContact C-O 3.59Å; Q319-F339 WeakPolarHBondContact CA-O 3.48Å; Q319-H340 HydrophobicContact CB-CB 3.61Å
320	G	91.7	Very high	77.9	Confident	17 Å²	17	88.4 Å²	88.4	18%	0.175	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.8	173.4	179.2	0	0	0	0	0	113	F339	G320-F339 PolarHBondContact N-O 3.09Å; G320-F339 PolarHBondContact O-N 3.09Å
321	Y	93	Very high	78.9	Confident	127 Å²	127	89.3 Å²	89.3	50%	0.498	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.9	174.6	-72.7	-79.9	0	0	0	111	Q336 M337 Y338	Y321-Q336 HydrophobicContact CD1-CG 4.28Å; Y321-M337 WeakPolarHBondContact CA-O 3.28Å; Y321-Y338 HydrophobicContact CD1-CD2 4.15Å; Y321-Y338 AromaticContact CD2-CD2 3.95Å; Y321-Y338 HydrophobicContact CD2-CD2 3.95Å; Y321-Y338 HydrophobicContact CD2-CE2 4.46Å; Y321-Y338 HydrophobicContact CE1-CD2 4.03Å; Y321-Y338 HydrophobicContact CE1-CG 4.45Å; Y321-Y338 AromaticContact CE2-CD2 3.81Å; Y321-Y338 HydrophobicContact CE2-CD2 3.81Å; Y321-Y338 HydrophobicContact CE2-CE2 4.33Å; Y321-Y338 HydrophobicContact CG-CD2 4.12Å; Y321-Y338 AromaticContact CZ-CD2 3.85Å
322	L	95	Very high	79.8	Confident	1 Å²	1	88.6 Å²	88.6	1%	0.005	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.5	170.7	-57.5	174.1	0	0	0	109.4	Q336 M337 F339 F382 F396 T398 W407	L322-Q336 WeakPolarHBondContact O-CA 3.36Å; L322-M337 PolarHBondContact N-O 3.5Å; L322-M337 PolarHBondContact O-N 3.45Å; L322-M337 VanDerWaalsContact O-O 3.14Å; L322-F339 HydrophobicContact CB-CD2 3.53Å; L322-F339 HydrophobicContact CB-CE2 3.71Å; L322-F339 HydrophobicContact CB-CG 4.5Å; L322-F339 HydrophobicContact CD1-CB 4.13Å; L322-F339 HydrophobicContact CD1-CD2 3.89Å; L322-F339 HydrophobicContact CD1-CG 4.06Å; L322-F339 HydrophobicContact CG-CD2 3.87Å; L322-F339 HydrophobicContact CG-CG 4.47Å; L322-F382 HydrophobicContact CD1-CE1 4.34Å; L322-F382 HydrophobicContact CD1-CZ 3.99Å; L322-F382 HydrophobicContact CD2-CE1 4.35Å; L322-F396 HydrophobicContact CB-CD1 4.37Å; L322-F396 HydrophobicContact CD1-CB 4.43Å; L322-F396 HydrophobicContact CD1-CD1 3.94Å; L322-F396 HydrophobicContact CD1-CG 4.37Å; L322-T398 HydrophobicContact CD2-CG2 3.52Å; L322-W407 HydrophobicContact CD1-CD2 4.03Å; L322-W407 HydrophobicContact CD1-CE3 4.3Å; L322-W407 HydrophobicContact CD1-CH2 4.26Å; L322-W407 HydrophobicContact CD1-CZ2 3.98Å; L322-W407 HydrophobicContact CD1-CZ3 4.42Å; L322-W407 HydrophobicContact CD2-CD2 4.44Å; L322-W407 HydrophobicContact CD2-CG 4.38Å; L322-W407 HydrophobicContact CD2-CZ2 4.43Å; L322-W407 HydrophobicContact CG-CZ2 4.16Å
323	F	94.1	Very high	80.9	Confident	51 Å²	51	91.1 Å²	91.1	22%	0.224	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.6	163.4	-57.3	-101.5	0	0	0	109.3	W334 D335 Q336 F396 Q397 L399	F323-W334 HydrophobicContact CB-CB 4.36Å; F323-W334 HydrophobicContact CB-CE3 3.87Å; F323-D335 WeakPolarHBondContact CA-O 3.23Å; F323-Q336 HydrophobicContact CD1-CB 3.72Å; F323-Q336 HydrophobicContact CD1-CG 4.25Å; F323-Q336 HydrophobicContact CE1-CB 3.57Å; F323-Q336 HydrophobicContact CE1-CG 3.93Å; F323-Q336 HydrophobicContact CE2-CG 4.42Å; F323-Q336 HydrophobicContact CG-CB 4.45Å; F323-Q336 HydrophobicContact CZ-CB 4.17Å; F323-Q336 HydrophobicContact CZ-CG 4Å; F323-F396 CarbonylContact O-C 3.57Å; F323-F396 VanDerWaalsContact O-CA 3.29Å; F323-F396 WeakPolarHBondContact O-CA 3.37Å; F323-Q397 HydrophobicContact CB-CB 4.14Å; F323-Q397 PolarHBondContact N-O 3.46Å; F323-Q397 PolarHBondContact O-N 3.44Å; F323-L399 HydrophobicContact CE2-CD2 4.27Å
324	L	93.8	Very high	82.2	Confident	22 Å²	22	86.5 Å²	86.5	12%	0.115	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.7	173.8	173.9	63.7	0	0	0	109.7	S326 W334 D335 M337 F339 L361 F394 F396	L324-S326 PolarHBondContact O-N 2.84Å; L324-W334 WeakPolarHBondContact O-CA 3.23Å; L324-D335 PolarHBondContact N-O 3.04Å; L324-D335 PolarHBondContact O-N 2.81Å; L324-M337 HydrophobicContact CD2-CE 4.12Å; L324-F339 HydrophobicContact CB-CZ 3.93Å; L324-F339 HydrophobicContact CD2-CZ 4.37Å; L324-L361 HydrophobicContact CD2-CD2 4.47Å; L324-F394 HydrophobicContact CD1-CB 4.31Å; L324-F394 HydrophobicContact CD1-CD1 4Å; L324-F396 HydrophobicContact CB-CD1 4.37Å; L324-F396 HydrophobicContact CB-CE1 4.4Å; L324-F396 HydrophobicContact CD1-CD1 3.97Å; L324-F396 HydrophobicContact CD1-CE1 3.65Å; L324-F396 HydrophobicContact CD1-CZ 4.01Å; L324-F396 HydrophobicContact CG-CE1 4.47Å
325	K	91.2	Very high	83.2	Confident	35 Å²	35	79.3 Å²	79.3	15%	0.152	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.4	174.6	-167.8	178.3	-176.5	170.6	0	110.3	R333 W334 E376 V395	K325-R333 CarbonylContact C-O 3.56Å; K325-R333 WeakPolarHBondContact CA-O 3.45Å; K325-W334 HydrophobicContact CB-CD2 3.99Å; K325-W334 HydrophobicContact CB-CE3 3.87Å; K325-W334 HydrophobicContact CB-CH2 3.87Å; K325-W334 HydrophobicContact CB-CZ2 3.97Å; K325-W334 HydrophobicContact CB-CZ3 3.79Å; K325-W334 HydrophobicContact CD-CH2 4.11Å; K325-W334 HydrophobicContact CD-CZ2 3.65Å; K325-W334 HydrophobicContact CG-CD2 4.21Å; K325-W334 HydrophobicContact CG-CH2 4.3Å; K325-W334 HydrophobicContact CG-CZ2 3.9Å; K325-E376 IonicContact NZ-OE1 2.86Å; K325-E376 PolarHBondContact NZ-OE1 3.36Å; K325-E376 IonicContact NZ-OE2 2.79Å; K325-E376 PolarHBondContact NZ-OE2 3.28Å; K325-V395 HydrophobicContact CB-CB 3.93Å; K325-V395 HydrophobicContact CB-CG1 4.46Å; K325-V395 WeakPolarHBondContact CB-O 3.21Å; K325-V395 HydrophobicContact CD-CB 4.15Å; K325-V395 HydrophobicContact CD-CG1 4.33Å; K325-V395 PolarHBondContact N-O 2.96Å
326	S	84.9	Confident	84.1	Confident	35 Å²	35	82.3 Å²	82.3	25%	0.245	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.6	165.6	55.7	0	0	0	0	109.3	L324 P328 S332 R333 D335	L324-S326 PolarHBondContact O-N 2.84Å; S326-P328 WeakPolarHBondContact O-CD 3.37Å; S326-S332 CarbonylContact O-C 3.52Å; S326-S332 WeakPolarHBondContact O-CA 3.46Å; S326-R333 PolarHBondContact N-O 3.12Å; S326-R333 PolarHBondContact O-N 2.96Å; S326-R333 WeakPolarHBondContact OG-CB 3.45Å; S326-R333 PolarHBondContact OG-O 2.84Å; S326-D335 PolarHBondContact OG-OD2 2.85Å
327	K	71.4	Confident	84.7	Confident	132 Å²	132	77 Å²	77	57%	0.574	39%	0.388	S	S	*	.			trans	-109.9	75.2	176.9	-73	-178.6	-179.7	174.7	0	110.5
328	P	61.3	Low	84.9	Confident	71 Å²	71	75 Å²	75	46%	0.461	38%	0.377	S	S	.	.			trans	-66	148.6	161.5	28.4	-28.6	0	0	0	108.6	S326 L330 I331	S326-P328 WeakPolarHBondContact O-CD 3.37Å; P328-L330 PolarHBondContact O-N 2.78Å; P328-I331 VanDerWaalsContact CD-O 3.31Å; P328-I331 WeakPolarHBondContact CD-O 3.26Å; P328-I331 VanDerWaalsContact CG-O 3.3Å; P328-I331 WeakPolarHBondContact CG-O 3.3Å; P328-I331 PolarHBondContact O-N 3.12Å
329	S	59.5	Low	85.1	Confident	126 Å²	126	73.1 Å²	73.1	88%	0.881	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-1.9	-154.1	-29.8	0	0	0	0	119
330	L	70.3	Confident	85.1	Confident	170 Å²	170	68.9 Å²	68.9	89%	0.89	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.8	-28	-175.1	-66.2	168.9	0	0	0	114.8	P328	P328-L330 PolarHBondContact O-N 2.78Å
331	I	73.1	Confident	85.1	Confident	137 Å²	137	68.3 Å²	68.3	70%	0.703	34%	0.342	S	S	*	.	S	Bend	trans	-144.4	127	-177.1	-57.5	174.8	0	0	0	108.7	P328 R333	P328-I331 VanDerWaalsContact CD-O 3.31Å; P328-I331 WeakPolarHBondContact CD-O 3.26Å; P328-I331 VanDerWaalsContact CG-O 3.3Å; P328-I331 WeakPolarHBondContact CG-O 3.3Å; P328-I331 PolarHBondContact O-N 3.12Å; I331-R333 PolarHBondContact O-N 3.01Å
332	S	78.5	Confident	84.9	Confident	54 Å²	54	66.1 Å²	66.1	38%	0.378	34%	0.336	S	S	.	.			trans	-71.4	128.9	173.8	55.7	0	0	0	0	111.6	S326	S326-S332 CarbonylContact O-C 3.52Å; S326-S332 WeakPolarHBondContact O-CA 3.46Å
333	R	86.3	Confident	84.5	Confident	159 Å²	159	73.1 Å²	73.1	60%	0.6	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	154.4	172.1	172.1	-177.7	-69.5	169.7	-4.3	109.3	K325 S326 I331 D335	K325-R333 CarbonylContact C-O 3.56Å; K325-R333 WeakPolarHBondContact CA-O 3.45Å; S326-R333 PolarHBondContact N-O 3.12Å; S326-R333 PolarHBondContact O-N 2.96Å; S326-R333 WeakPolarHBondContact OG-CB 3.45Å; S326-R333 PolarHBondContact OG-O 2.84Å; I331-R333 PolarHBondContact O-N 3.01Å; R333-D335 WeakPolarHBondContact CD-OD1 3.4Å; R333-D335 WeakPolarHBondContact CG-OD1 3.45Å
334	W	89.5	Confident	84.2	Confident	33 Å²	33	72.1 Å²	72.1	13%	0.125	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.2	176.8	-69.8	83.7	0	0	0	109	F323 L324 K325 R378 V395 Q397	F323-W334 HydrophobicContact CB-CB 4.36Å; F323-W334 HydrophobicContact CB-CE3 3.87Å; L324-W334 WeakPolarHBondContact O-CA 3.23Å; K325-W334 HydrophobicContact CB-CD2 3.99Å; K325-W334 HydrophobicContact CB-CE3 3.87Å; K325-W334 HydrophobicContact CB-CH2 3.87Å; K325-W334 HydrophobicContact CB-CZ2 3.97Å; K325-W334 HydrophobicContact CB-CZ3 3.79Å; K325-W334 HydrophobicContact CD-CH2 4.11Å; K325-W334 HydrophobicContact CD-CZ2 3.65Å; K325-W334 HydrophobicContact CG-CD2 4.21Å; K325-W334 HydrophobicContact CG-CH2 4.3Å; K325-W334 HydrophobicContact CG-CZ2 3.9Å; W334-R378 VanDerWaalsContact CB-NH1 3.3Å; W334-R378 HydrophobicContact CZ2-CB 4.39Å; W334-R378 HydrophobicContact CZ2-CG 4.19Å; W334-V395 HydrophobicContact CH2-CG1 3.77Å; W334-V395 HydrophobicContact CZ3-CG1 4.4Å; W334-Q397 HydrophobicContact CE3-CB 4.11Å; W334-Q397 HydrophobicContact CH2-CB 4.24Å; W334-Q397 HydrophobicContact CZ3-CB 3.58Å
335	D	89.8	Confident	84.1	Confident	60 Å²	60	72.7 Å²	72.7	32%	0.321	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	-174.3	-60.8	-55.3	0	0	0	108.9	F323 L324 S326 R333 M337	F323-D335 WeakPolarHBondContact CA-O 3.23Å; L324-D335 PolarHBondContact N-O 3.04Å; L324-D335 PolarHBondContact O-N 2.81Å; S326-D335 PolarHBondContact OG-OD2 2.85Å; R333-D335 WeakPolarHBondContact CD-OD1 3.4Å; R333-D335 WeakPolarHBondContact CG-OD1 3.45Å; D335-M337 PolarHBondContact O-N 3.17Å
336	Q	92.3	Very high	84.3	Confident	105 Å²	105	71.1 Å²	71.1	49%	0.491	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.9	175.8	-168	-178.5	8	0	0	109.1	Y321 L322 F323	Y321-Q336 HydrophobicContact CD1-CG 4.28Å; L322-Q336 WeakPolarHBondContact O-CA 3.36Å; F323-Q336 HydrophobicContact CD1-CB 3.72Å; F323-Q336 HydrophobicContact CD1-CG 4.25Å; F323-Q336 HydrophobicContact CE1-CB 3.57Å; F323-Q336 HydrophobicContact CE1-CG 3.93Å; F323-Q336 HydrophobicContact CE2-CG 4.42Å; F323-Q336 HydrophobicContact CG-CB 4.45Å; F323-Q336 HydrophobicContact CZ-CB 4.17Å; F323-Q336 HydrophobicContact CZ-CG 4Å
337	M	91.2	Very high	84.7	Confident	45 Å²	45	70.5 Å²	70.5	22%	0.222	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.2	177.9	-58.7	-157.1	-58.2	0	0	110.2	Y321 L322 L324 D335 F339 C348	Y321-M337 WeakPolarHBondContact CA-O 3.28Å; L322-M337 PolarHBondContact N-O 3.5Å; L322-M337 PolarHBondContact O-N 3.45Å; L322-M337 VanDerWaalsContact O-O 3.14Å; L324-M337 HydrophobicContact CD2-CE 4.12Å; D335-M337 PolarHBondContact O-N 3.17Å; M337-F339 HydrophobicContact CB-CD2 4.42Å; M337-F339 HydrophobicContact CB-CE2 3.64Å; M337-F339 HydrophobicContact CB-CZ 3.86Å; M337-F339 HydrophobicContact CE-CE1 4.27Å; M337-F339 HydrophobicContact CE-CZ 3.79Å; M337-F339 VanDerWaalsContact O-CD2 3.3Å; M337-F339 WeakPolarHBondContact O-CD2 3.49Å; M337-F339 WeakPolarHBondContact O-CE2 3.42Å; M337-C348 HydrophobicContact CE-CB 4.08Å
338	Y	92.9	Very high	85.7	Confident	55 Å²	55	65 Å²	65	22%	0.216	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133	173.1	-167.6	-99.7	0	0	0	109.2	Q319 Y321 H340 C348 Q349	Q319-Y338 HydrophobicContact CB-CE1 4.4Å; Q319-Y338 VanDerWaalsContact CD-OH 3.24Å; Q319-Y338 WeakPolarHBondContact CG-OH 3.48Å; Q319-Y338 PolarHBondContact OE1-OH 3.08Å; Y321-Y338 HydrophobicContact CD1-CD2 4.15Å; Y321-Y338 AromaticContact CD2-CD2 3.95Å; Y321-Y338 HydrophobicContact CD2-CD2 3.95Å; Y321-Y338 HydrophobicContact CD2-CE2 4.46Å; Y321-Y338 HydrophobicContact CE1-CD2 4.03Å; Y321-Y338 HydrophobicContact CE1-CG 4.45Å; Y321-Y338 AromaticContact CE2-CD2 3.81Å; Y321-Y338 HydrophobicContact CE2-CD2 3.81Å; Y321-Y338 HydrophobicContact CE2-CE2 4.33Å; Y321-Y338 HydrophobicContact CG-CD2 4.12Å; Y321-Y338 AromaticContact CZ-CD2 3.85Å; Y338-H340 HydrophobicContact CE1-CB 4.36Å; Y338-C348 CarbonylContact O-C 3.56Å; Y338-C348 WeakPolarHBondContact O-CA 3.41Å; Y338-Q349 PolarHBondContact N-O 3.31Å; Y338-Q349 PolarHBondContact O-N 2.85Å
339	F	93.9	Very high	87.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.2	178.8	-64.1	-91.5	0	0	0	109.8	Q319 G320 L322 L324 M337 L346 M347 C348 L361 F396 W407	Q319-F339 CarbonylContact C-O 3.59Å; Q319-F339 WeakPolarHBondContact CA-O 3.48Å; G320-F339 PolarHBondContact N-O 3.09Å; G320-F339 PolarHBondContact O-N 3.09Å; L322-F339 HydrophobicContact CB-CD2 3.53Å; L322-F339 HydrophobicContact CB-CE2 3.71Å; L322-F339 HydrophobicContact CB-CG 4.5Å; L322-F339 HydrophobicContact CD1-CB 4.13Å; L322-F339 HydrophobicContact CD1-CD2 3.89Å; L322-F339 HydrophobicContact CD1-CG 4.06Å; L322-F339 HydrophobicContact CG-CD2 3.87Å; L322-F339 HydrophobicContact CG-CG 4.47Å; L324-F339 HydrophobicContact CB-CZ 3.93Å; L324-F339 HydrophobicContact CD2-CZ 4.37Å; M337-F339 HydrophobicContact CB-CD2 4.42Å; M337-F339 HydrophobicContact CB-CE2 3.64Å; M337-F339 HydrophobicContact CB-CZ 3.86Å; M337-F339 HydrophobicContact CE-CE1 4.27Å; M337-F339 HydrophobicContact CE-CZ 3.79Å; M337-F339 VanDerWaalsContact O-CD2 3.3Å; M337-F339 WeakPolarHBondContact O-CD2 3.49Å; M337-F339 WeakPolarHBondContact O-CE2 3.42Å; F339-L346 HydrophobicContact CB-CD1 4.46Å; F339-L346 HydrophobicContact CD1-CD2 4.49Å; F339-L346 HydrophobicContact CD1-CG 4.47Å; F339-M347 VanDerWaalsContact CA-O 3.3Å; F339-M347 WeakPolarHBondContact CA-O 3.4Å; F339-M347 WeakPolarHBondContact CD1-O 3.29Å; F339-C348 HydrophobicContact CD1-CB 3.74Å; F339-C348 HydrophobicContact CE1-CB 3.49Å; F339-C348 VanDerWaalsContact CE1-CB 3.49Å; F339-C348 HydrophobicContact CZ-CB 4.31Å; F339-L361 HydrophobicContact CE1-CD2 3.98Å; F339-F396 HydrophobicContact CD1-CE1 4.24Å; F339-F396 AromaticContact CE1-CE1 3.8Å; F339-F396 HydrophobicContact CE1-CE1 3.8Å; F339-F396 HydrophobicContact CZ-CD1 4.42Å; F339-F396 AromaticContact CZ-CE1 3.96Å; F339-F396 HydrophobicContact CZ-CE1 3.96Å; F339-W407 HydrophobicContact CB-CH2 3.9Å; F339-W407 HydrophobicContact CB-CZ2 4.47Å
340	H	93.1	Very high	88.4	Confident	12 Å²	12	58 Å²	58	6%	0.056	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	150.3	171.9	69.7	-87.9	0	0	0	111.1	K318 Q319 Y338 E342 M347 S358	K318-H340 CarbonylContact O-C 3.54Å; K318-H340 WeakPolarHBondContact O-CA 3.12Å; Q319-H340 HydrophobicContact CB-CB 3.61Å; Y338-H340 HydrophobicContact CE1-CB 4.36Å; H340-E342 IonicContact CD2-OE2 2.77Å; H340-E342 IonicContact CE1-OE2 2.66Å; H340-E342 IonicContact NE2-OE2 2.79Å; H340-E342 PolarHBondContact NE2-OE2 2.85Å; H340-M347 WeakPolarHBondContact CE1-CB 3.4Å; H340-M347 PolarHBondContact N-O 3.41Å; H340-M347 WeakPolarHBondContact NE2-CG 3.47Å; H340-M347 VanDerWaalsContact O-CB 3.31Å; H340-M347 WeakPolarHBondContact O-CB 3.39Å; H340-M347 PolarHBondContact O-N 3.05Å; H340-S358 PolarHBondContact CE1-OG 3.42Å; H340-S358 VanDerWaalsContact CE1-OG 3.24Å
341	T	91.5	Very high	88.7	Confident	5 Å²	5	58 Å²	58	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.6	175.4	56.2	0	0	0	0	110.2	H317 K318 N345 L346 L364 W407 I414	H317-T341 VanDerWaalsContact CA-OG1 3.31Å; H317-T341 WeakPolarHBondContact CA-OG1 3.45Å; H317-T341 PolarHBondContact CE1-O 3.33Å; H317-T341 VanDerWaalsContact CE1-O 3.28Å; H317-T341 PolarHBondContact ND1-O 3.11Å; H317-T341 PolarHBondContact ND1-OG1 3.38Å; K318-T341 PolarHBondContact N-OG1 3.1Å; K318-T341 PolarHBondContact O-N 3.41Å; K318-T341 PolarHBondContact O-OG1 3.46Å; T341-N345 WeakPolarHBondContact CA-O 3.36Å; T341-L346 HydrophobicContact CG2-CD1 4.08Å; T341-L364 HydrophobicContact CG2-CD1 4.16Å; T341-W407 HydrophobicContact CG2-CZ3 4.38Å; T341-I414 HydrophobicContact CG2-CD1 3.55Å
342	E	89.5	Confident	88.9	Confident	80 Å²	80	58.8 Å²	58.8	37%	0.374	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.4	-178.7	-176.4	168	-156.1	0	0	110.2	H340 G344 N345 M347	H340-E342 IonicContact CD2-OE2 2.77Å; H340-E342 IonicContact CE1-OE2 2.66Å; H340-E342 IonicContact NE2-OE2 2.79Å; H340-E342 PolarHBondContact NE2-OE2 2.85Å; E342-G344 VanDerWaalsContact C-N 3.31Å; E342-G344 PolarHBondContact O-N 2.97Å; E342-N345 PolarHBondContact N-O 3.07Å; E342-N345 WeakPolarHBondContact O-CA 3.46Å; E342-N345 WeakPolarHBondContact O-CB 3.46Å; E342-N345 PolarHBondContact O-N 3.22Å; E342-M347 HydrophobicContact CB-CG 3.84Å
343	N	85.9	Confident	88.9	Confident	148 Å²	148	59.3 Å²	59.3	79%	0.791	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	45.1	175.4	-59.1	-25.4	0	0	0	114.5	N345	N343-N345 PolarHBondContact O-N 2.92Å; N343-N345 PolarHBondContact O-ND2 3.2Å
344	G	88.1	Confident	88.1	Confident	30 Å²	30	57.2 Å²	57.2	31%	0.309	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	11.7	-178.6	0	0	0	0	0	114.4	E342 L364	E342-G344 VanDerWaalsContact C-N 3.31Å; E342-G344 PolarHBondContact O-N 2.97Å; G344-L364 WeakPolarHBondContact O-CA 3.44Å; G344-L364 VanDerWaalsContact O-CB 3.27Å; G344-L364 WeakPolarHBondContact O-CB 3.49Å; G344-L364 PolarHBondContact O-N 3.42Å
345	N	92.3	Very high	87	Confident	34 Å²	34	64.5 Å²	64.5	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.7	175.9	-66.1	-70.4	0	0	0	111.1	T341 E342 N343 M347 V360 E363	T341-N345 WeakPolarHBondContact CA-O 3.36Å; E342-N345 PolarHBondContact N-O 3.07Å; E342-N345 WeakPolarHBondContact O-CA 3.46Å; E342-N345 WeakPolarHBondContact O-CB 3.46Å; E342-N345 PolarHBondContact O-N 3.22Å; N343-N345 PolarHBondContact O-N 2.92Å; N343-N345 PolarHBondContact O-ND2 3.2Å; N345-M347 HydrophobicContact CB-SD 3.97Å; N345-V360 HydrophobicContact CB-CG1 4.03Å; N345-V360 HydrophobicContact CB-CG2 4.41Å; N345-E363 WeakPolarHBondContact OD1-CA 3.39Å
346	L	94.5	Very high	86.1	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115	162.1	-171.8	66.9	0	0	0	108.7	F339 T341 L361 F362 L364 F396 W407	F339-L346 HydrophobicContact CB-CD1 4.46Å; F339-L346 HydrophobicContact CD1-CD2 4.49Å; F339-L346 HydrophobicContact CD1-CG 4.47Å; T341-L346 HydrophobicContact CG2-CD1 4.08Å; L346-L361 HydrophobicContact CD2-CD2 4.32Å; L346-L361 WeakPolarHBondContact O-CB 3.45Å; L346-L361 PolarHBondContact O-N 3.13Å; L346-F362 HydrophobicContact CB-CD2 4.12Å; L346-F362 HydrophobicContact CB-CE2 3.82Å; L346-F362 HydrophobicContact CB-CZ 4.21Å; L346-F362 HydrophobicContact CD2-CE1 3.97Å; L346-F362 HydrophobicContact CD2-CE2 3.75Å; L346-F362 HydrophobicContact CD2-CZ 3.32Å; L346-F362 HydrophobicContact CG-CE2 4.45Å; L346-F362 HydrophobicContact CG-CZ 4.39Å; L346-F362 PolarHBondContact N-O 3.35Å; L346-L364 HydrophobicContact CB-CD1 4.44Å; L346-L364 HydrophobicContact CB-CD2 4.37Å; L346-L364 HydrophobicContact CB-CG 4.41Å; L346-F396 HydrophobicContact CD2-CE1 4.39Å; L346-F396 HydrophobicContact CD2-CE2 4.46Å; L346-F396 HydrophobicContact CD2-CZ 3.84Å; L346-W407 HydrophobicContact CD1-CZ3 3.93Å
347	M	93.2	Very high	85.3	Confident	22 Å²	22	63.2 Å²	63.2	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	151.9	179.8	-53.8	-61	-74.6	0	0	110.8	F339 H340 E342 N345 R359 V360	F339-M347 VanDerWaalsContact CA-O 3.3Å; F339-M347 WeakPolarHBondContact CA-O 3.4Å; F339-M347 WeakPolarHBondContact CD1-O 3.29Å; H340-M347 WeakPolarHBondContact CE1-CB 3.4Å; H340-M347 PolarHBondContact N-O 3.41Å; H340-M347 WeakPolarHBondContact NE2-CG 3.47Å; H340-M347 VanDerWaalsContact O-CB 3.31Å; H340-M347 WeakPolarHBondContact O-CB 3.39Å; H340-M347 PolarHBondContact O-N 3.05Å; E342-M347 HydrophobicContact CB-CG 3.84Å; N345-M347 HydrophobicContact CB-SD 3.97Å; M347-R359 CarbonylContact C-O 3.33Å; M347-R359 VanDerWaalsContact CA-O 3.27Å; M347-R359 WeakPolarHBondContact CA-O 3.4Å; M347-V360 HydrophobicContact CE-CG2 3.88Å; M347-V360 HydrophobicContact SD-CB 4.13Å; M347-V360 HydrophobicContact SD-CG2 3.52Å; M347-V360 VanDerWaalsContact SD-CG2 3.52Å
348	C	92.6	Very high	85	Confident	18 Å²	18	62.1 Å²	62.1	12%	0.122	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.2	174.3	69.7	0	0	0	0	112.4	M337 Y338 F339 S358 R359 L361	M337-C348 HydrophobicContact CE-CB 4.08Å; Y338-C348 CarbonylContact O-C 3.56Å; Y338-C348 WeakPolarHBondContact O-CA 3.41Å; F339-C348 HydrophobicContact CD1-CB 3.74Å; F339-C348 HydrophobicContact CE1-CB 3.49Å; F339-C348 VanDerWaalsContact CE1-CB 3.49Å; F339-C348 HydrophobicContact CZ-CB 4.31Å; C348-S358 WeakPolarHBondContact O-CA 3.46Å; C348-S358 PolarHBondContact O-OG 3.48Å; C348-R359 PolarHBondContact N-O 3.04Å; C348-R359 PolarHBondContact O-N 2.79Å; C348-L361 HydrophobicContact CB-CB 4.45Å
349	Q	91.1	Very high	84.9	Confident	31 Å²	31	67.6 Å²	67.6	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132	-179.7	-174.9	-175.8	-3.6	0	0	110.2	Y338 D353	Y338-Q349 PolarHBondContact N-O 3.31Å; Y338-Q349 PolarHBondContact O-N 2.85Å; Q349-D353 HydrophobicContact CG-CB 3.83Å; Q349-D353 PolarHBondContact NE2-O 2.96Å
350	G	85.9	Confident	84.8	Confident	19 Å²	19	71.4 Å²	71.4	20%	0.196	38%	0.383	C	S	.	.			trans	-70.3	163.6	173.1	0	0	0	0	0	112.2	D352 D353	G350-D352 VanDerWaalsContact C-N 3.29Å; G350-D352 PolarHBondContact O-N 3.13Å; G350-D353 WeakPolarHBondContact CA-OD2 3.39Å; G350-D353 PolarHBondContact N-OD2 2.88Å; G350-D353 PolarHBondContact O-N 3.36Å
351	K	77.8	Confident	84.7	Confident	170 Å²	170	73 Å²	73	74%	0.739	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.9	-175.5	-173	177.9	175.9	-177.6	0	114.1
352	D	77.4	Confident	84.7	Confident	152 Å²	152	73.4 Å²	73.4	81%	0.813	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	3.3	-175.2	-54.7	-44.3	0	0	0	112.8	G350	G350-D352 VanDerWaalsContact C-N 3.29Å; G350-D352 PolarHBondContact O-N 3.13Å
353	D	77.2	Confident	84.8	Confident	65 Å²	65	73.8 Å²	73.8	35%	0.348	40%	0.395	S	S	.	.			trans	-79.4	139.5	-179.3	-73.9	-27.3	0	0	0	110.1	Q349 G350 A357	Q349-D353 HydrophobicContact CG-CB 3.83Å; Q349-D353 PolarHBondContact NE2-O 2.96Å; G350-D353 WeakPolarHBondContact CA-OD2 3.39Å; G350-D353 PolarHBondContact N-OD2 2.88Å; G350-D353 PolarHBondContact O-N 3.36Å; D353-A357 HydrophobicContact CB-CB 4.01Å
354	V	71.1	Confident	85	Confident	115 Å²	115	67 Å²	67	70%	0.697	36%	0.359	S	S	*	.			trans	-70.3	151.2	167.5	-174.2	0	0	0	0	108.4	A356 A357	V354-A356 PolarHBondContact O-N 3.18Å; V354-A357 WeakPolarHBondContact O-CA 3.31Å; V354-A357 WeakPolarHBondContact O-CB 3.01Å; V354-A357 PolarHBondContact O-N 3.42Å
355	R	66.7	Low	85	Confident	186 Å²	186	68 Å²	68	70%	0.702	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-50.9	-32.8	-178.7	-171.4	176.4	178.5	179	-0.6	113.8	A357 S358	R355-A357 PolarHBondContact O-N 3.04Å; R355-A357 VanDerWaalsContact O-N 3.17Å; R355-S358 WeakPolarHBondContact O-CB 3.47Å; R355-S358 PolarHBondContact O-N 3.4Å; R355-S358 VanDerWaalsContact O-N 3.12Å
356	A	70.3	Confident	84.8	Confident	103 Å²	103	73.5 Å²	73.5	85%	0.851	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-62.8	-15	174.8	0	0	0	0	0	114.5	V354	V354-A356 PolarHBondContact O-N 3.18Å
357	A	76	Confident	84.5	Confident	35 Å²	35	76.9 Å²	76.9	29%	0.289	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-97	4.9	177	0	0	0	0	0	113.5	D353 V354 R355 R359	D353-A357 HydrophobicContact CB-CB 4.01Å; V354-A357 WeakPolarHBondContact O-CA 3.31Å; V354-A357 WeakPolarHBondContact O-CB 3.01Å; V354-A357 PolarHBondContact O-N 3.42Å; R355-A357 PolarHBondContact O-N 3.04Å; R355-A357 VanDerWaalsContact O-N 3.17Å; A357-R359 WeakPolarHBondContact O-CG 3.3Å; A357-R359 PolarHBondContact O-N 3.41Å
358	S	84.5	Confident	84.4	Confident	23 Å²	23	76.2 Å²	76.2	16%	0.161	40%	0.4	C	S	.	.			trans	-60.7	134.3	172.5	-173.6	0	0	0	0	111	H340 C348 R355	H340-S358 PolarHBondContact CE1-OG 3.42Å; H340-S358 VanDerWaalsContact CE1-OG 3.24Å; C348-S358 WeakPolarHBondContact O-CA 3.46Å; C348-S358 PolarHBondContact O-OG 3.48Å; R355-S358 WeakPolarHBondContact O-CB 3.47Å; R355-S358 PolarHBondContact O-N 3.4Å; R355-S358 VanDerWaalsContact O-N 3.12Å
359	R	89.3	Confident	84.3	Confident	169 Å²	169	79.6 Å²	79.6	64%	0.638	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	149.4	-174.8	-57.5	179.6	-172.4	160.7	4.1	110.7	M347 C348 A357 L361	M347-R359 CarbonylContact C-O 3.33Å; M347-R359 VanDerWaalsContact CA-O 3.27Å; M347-R359 WeakPolarHBondContact CA-O 3.4Å; C348-R359 PolarHBondContact N-O 3.04Å; C348-R359 PolarHBondContact O-N 2.79Å; A357-R359 WeakPolarHBondContact O-CG 3.3Å; A357-R359 PolarHBondContact O-N 3.41Å; R359-L361 PolarHBondContact O-N 2.93Å
360	V	92.1	Very high	84.5	Confident	81 Å²	81	78.2 Å²	78.2	49%	0.491	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.6	168.9	178.2	0	0	0	0	108.3	N345 M347	N345-V360 HydrophobicContact CB-CG1 4.03Å; N345-V360 HydrophobicContact CB-CG2 4.41Å; M347-V360 HydrophobicContact CE-CG2 3.88Å; M347-V360 HydrophobicContact SD-CB 4.13Å; M347-V360 HydrophobicContact SD-CG2 3.52Å; M347-V360 VanDerWaalsContact SD-CG2 3.52Å
361	L	91.3	Very high	84.9	Confident	45 Å²	45	84 Å²	84	24%	0.236	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-50.1	171.4	-174.1	67.4	0	0	0	110.7	L324 F339 L346 C348 R359 F394 F396	L324-L361 HydrophobicContact CD2-CD2 4.47Å; F339-L361 HydrophobicContact CE1-CD2 3.98Å; L346-L361 HydrophobicContact CD2-CD2 4.32Å; L346-L361 WeakPolarHBondContact O-CB 3.45Å; L346-L361 PolarHBondContact O-N 3.13Å; C348-L361 HydrophobicContact CB-CB 4.45Å; R359-L361 PolarHBondContact O-N 2.93Å; L361-F394 HydrophobicContact CD1-CE1 3.99Å; L361-F394 HydrophobicContact CD2-CD1 4.13Å; L361-F394 HydrophobicContact CD2-CE1 4.26Å; L361-F394 HydrophobicContact CG-CE1 4.17Å; L361-F396 HydrophobicContact CD2-CE1 4.16Å; L361-F396 HydrophobicContact CD2-CZ 3.81Å
362	F	91.9	Very high	85.6	Confident	14 Å²	14	80.1 Å²	80.1	6%	0.061	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	160.9	171.4	48.8	-103.6	0	0	0	111.1	L346 L364 V384 L386 F394 F396	L346-F362 HydrophobicContact CB-CD2 4.12Å; L346-F362 HydrophobicContact CB-CE2 3.82Å; L346-F362 HydrophobicContact CB-CZ 4.21Å; L346-F362 HydrophobicContact CD2-CE1 3.97Å; L346-F362 HydrophobicContact CD2-CE2 3.75Å; L346-F362 HydrophobicContact CD2-CZ 3.32Å; L346-F362 HydrophobicContact CG-CE2 4.45Å; L346-F362 HydrophobicContact CG-CZ 4.39Å; L346-F362 PolarHBondContact N-O 3.35Å; F362-L364 HydrophobicContact CD2-CD2 4.09Å; F362-L364 HydrophobicContact CE2-CD2 3.71Å; F362-V384 HydrophobicContact CE2-CG1 3.81Å; F362-V384 HydrophobicContact CZ-CB 4.09Å; F362-V384 HydrophobicContact CZ-CG1 3.72Å; F362-V384 HydrophobicContact CZ-CG2 4.39Å; F362-L386 HydrophobicContact CB-CD1 3.59Å; F362-L386 HydrophobicContact CB-CD2 4.21Å; F362-L386 HydrophobicContact CD1-CD1 3.94Å; F362-L386 HydrophobicContact CD1-CD2 4.23Å; F362-L386 HydrophobicContact CD2-CD1 4.43Å; F362-L386 HydrophobicContact CD2-CD2 3.58Å; F362-L386 HydrophobicContact CE2-CD2 3.92Å; F362-L386 HydrophobicContact CG-CD1 3.76Å; F362-L386 HydrophobicContact CG-CD2 3.76Å; F362-L386 HydrophobicContact CG-CG 4.37Å; F362-L386 HydrophobicContact CZ-CD2 4.38Å; F362-F394 HydrophobicContact CD1-CD1 4.48Å; F362-F394 AromaticContact CD1-CD2 3.71Å; F362-F394 HydrophobicContact CD1-CD2 3.71Å; F362-F394 HydrophobicContact CD1-CE1 4.38Å; F362-F394 AromaticContact CD1-CE2 3.63Å; F362-F394 HydrophobicContact CD1-CE2 3.63Å; F362-F394 HydrophobicContact CD1-CG 4.16Å; F362-F394 AromaticContact CD1-CZ 3.96Å; F362-F394 HydrophobicContact CD1-CZ 3.96Å; F362-F394 HydrophobicContact CE1-CB 4.11Å; F362-F394 HydrophobicContact CE1-CD1 4.15Å; F362-F394 AromaticContact CE1-CD2 3.53Å; F362-F394 HydrophobicContact CE1-CD2 3.53Å; F362-F394 HydrophobicContact CE1-CE1 4.49Å; F362-F394 AromaticContact CE1-CE2 3.96Å; F362-F394 HydrophobicContact CE1-CE2 3.96Å; F362-F394 AromaticContact CE1-CG 3.65Å; F362-F394 HydrophobicContact CE1-CG 3.65Å; F362-F394 HydrophobicContact CE1-CZ 4.41Å; F362-F396 HydrophobicContact CE1-CE2 4.32Å; F362-F396 HydrophobicContact CE1-CZ 4.01Å; F362-F396 HydrophobicContact CZ-CE2 4.15Å; F362-F396 HydrophobicContact CZ-CZ 4.09Å
363	E	91.2	Very high	86.2	Confident	87 Å²	87	73.8 Å²	73.8	41%	0.407	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.5	172.8	-172.6	165.5	-155.3	0	0	110.9	N345 D365 V368 H419	N345-E363 WeakPolarHBondContact OD1-CA 3.39Å; E363-D365 PolarHBondContact O-N 3.17Å; E363-V368 VanDerWaalsContact O-CG2 3.32Å; E363-V368 WeakPolarHBondContact O-CG2 3.33Å; E363-H419 IonicContact OE1-CE1 2.95Å; E363-H419 PolarHBondContact OE1-CE1 2.98Å; E363-H419 IonicContact OE1-NE2 3.71Å; E363-H419 PolarHBondContact OE1-NE2 3.49Å
364	L	90.6	Very high	86.5	Confident	7 Å²	7	77.8 Å²	77.8	4%	0.037	40%	0.4	C	S	.	.			trans	-95.7	67.7	177.9	-62.1	173.7	0	0	0	108.8	T341 G344 L346 F362 V368 V411 I414 A415	T341-L364 HydrophobicContact CG2-CD1 4.16Å; G344-L364 WeakPolarHBondContact O-CA 3.44Å; G344-L364 VanDerWaalsContact O-CB 3.27Å; G344-L364 WeakPolarHBondContact O-CB 3.49Å; G344-L364 PolarHBondContact O-N 3.42Å; L346-L364 HydrophobicContact CB-CD1 4.44Å; L346-L364 HydrophobicContact CB-CD2 4.37Å; L346-L364 HydrophobicContact CB-CG 4.41Å; F362-L364 HydrophobicContact CD2-CD2 4.09Å; F362-L364 HydrophobicContact CE2-CD2 3.71Å; L364-V368 HydrophobicContact CD2-CG1 4.05Å; L364-V411 HydrophobicContact CD2-CG1 3.84Å; L364-V411 HydrophobicContact CD2-CG2 4.48Å; L364-I414 HydrophobicContact CB-CB 4.28Å; L364-I414 HydrophobicContact CB-CG2 3.66Å; L364-I414 HydrophobicContact CD1-CB 3.99Å; L364-I414 HydrophobicContact CD1-CD1 3.76Å; L364-I414 HydrophobicContact CD1-CG2 3.72Å; L364-I414 HydrophobicContact CG-CG2 4.34Å; L364-A415 WeakPolarHBondContact O-CA 3.12Å
365	D	88.9	Confident	86.9	Confident	49 Å²	49	80 Å²	80	26%	0.262	41%	0.408	S	S	.	.			trans	-84	177.4	176.4	70.8	21.1	0	0	0	112.3	E363 T367 V368 A415	E363-D365 PolarHBondContact O-N 3.17Å; D365-T367 PolarHBondContact O-N 3.17Å; D365-T367 VanDerWaalsContact OD1-CA 3.32Å; D365-T367 WeakPolarHBondContact OD1-CA 3.37Å; D365-T367 VanDerWaalsContact OD1-CB 3.25Å; D365-T367 WeakPolarHBondContact OD1-CB 3.37Å; D365-T367 PolarHBondContact OD1-N 2.64Å; D365-T367 PolarHBondContact OD1-OG1 3.4Å; D365-T367 PolarHBondContact OD2-OG1 3.1Å; D365-V368 WeakPolarHBondContact O-CB 3.42Å; D365-V368 PolarHBondContact O-N 3.09Å; D365-V368 PolarHBondContact OD1-N 2.99Å; D365-A415 CarbonylContact C-O 3.47Å; D365-A415 WeakPolarHBondContact O-CA 3.36Å; D365-A415 WeakPolarHBondContact O-CB 3.34Å
366	E	87	Confident	87.8	Confident	150 Å²	150	73.1 Å²	73.1	70%	0.701	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13	-179.4	-62.8	177.2	-168.8	0	0	113.9	A415 G418	E366-A415 WeakPolarHBondContact CA-O 3.38Å; E366-A415 PolarHBondContact N-O 3.45Å; E366-G418 WeakPolarHBondContact OE1-CA 3.35Å
367	T	87.6	Confident	88.5	Confident	73 Å²	73	76.5 Å²	76.5	45%	0.448	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.3	177.7	81.8	0	0	0	0	112.7	D365 G387	D365-T367 PolarHBondContact O-N 3.17Å; D365-T367 VanDerWaalsContact OD1-CA 3.32Å; D365-T367 WeakPolarHBondContact OD1-CA 3.37Å; D365-T367 VanDerWaalsContact OD1-CB 3.25Å; D365-T367 WeakPolarHBondContact OD1-CB 3.37Å; D365-T367 PolarHBondContact OD1-N 2.64Å; D365-T367 PolarHBondContact OD1-OG1 3.4Å; D365-T367 PolarHBondContact OD2-OG1 3.1Å; T367-G387 PolarHBondContact O-N 3.08Å; T367-G387 WeakPolarHBondContact OG1-CA 3.48Å; T367-G387 PolarHBondContact OG1-N 2.86Å; T367-G387 VanDerWaalsContact OG1-N 3.15Å
368	V	91.2	Very high	89.1	Confident	8 Å²	8	79.7 Å²	79.7	5%	0.048	39%	0.392	C	S	.	.			trans	-77.6	131.4	178.4	178.7	0	0	0	0	110.8	E363 L364 D365 V384 T385 L386 V411 A415	E363-V368 VanDerWaalsContact O-CG2 3.32Å; E363-V368 WeakPolarHBondContact O-CG2 3.33Å; L364-V368 HydrophobicContact CD2-CG1 4.05Å; D365-V368 WeakPolarHBondContact O-CB 3.42Å; D365-V368 PolarHBondContact O-N 3.09Å; D365-V368 PolarHBondContact OD1-N 2.99Å; V368-V384 HydrophobicContact CG1-CG1 3.48Å; V368-V384 VanDerWaalsContact CG1-CG1 3.48Å; V368-T385 WeakPolarHBondContact CA-O 3.37Å; V368-L386 HydrophobicContact CB-CD2 4.47Å; V368-L386 HydrophobicContact CG1-CD2 4.2Å; V368-L386 HydrophobicContact CG2-CD2 3.59Å; V368-V411 HydrophobicContact CG1-CG1 3.87Å; V368-A415 HydrophobicContact CB-CB 4Å
369	N	91.8	Very high	89.4	Confident	90 Å²	90	87.8 Å²	87.8	48%	0.481	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120.4	173.9	-173.6	-1.7	0	0	0	110.9	T385	N369-T385 PolarHBondContact N-O 3.48Å; N369-T385 PolarHBondContact O-N 3.36Å
370	A	93.9	Very high	89.5	Confident	2 Å²	2	81.8 Å²	81.8	2%	0.017	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.5	172.7	0	0	0	0	0	111.3	T383 V384 I408 V411 N412	A370-T383 WeakPolarHBondContact CA-O 3.39Å; A370-V384 HydrophobicContact CB-CG2 4.1Å; A370-I408 HydrophobicContact CB-CB 4.4Å; A370-I408 HydrophobicContact CB-CG1 4.39Å; A370-I408 HydrophobicContact CB-CG2 4.21Å; A370-I408 WeakPolarHBondContact O-CG2 3.27Å; A370-V411 HydrophobicContact CB-CB 3.91Å; A370-V411 HydrophobicContact CB-CG1 3.6Å; A370-N412 PolarHBondContact N-OD1 3.14Å; A370-N412 PolarHBondContact O-ND2 3.3Å
371	R	94.2	Very high	89.7	Confident	139 Å²	139	78.2 Å²	78.2	53%	0.525	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.5	177.5	60.9	-175.8	175.7	121.3	-1.1	111.6	F382 T383	R371-F382 CarbonylContact O-C 3.52Å; R371-F382 VanDerWaalsContact O-CA 3.32Å; R371-F382 WeakPolarHBondContact O-CA 3.43Å; R371-F382 WeakPolarHBondContact O-CB 3.11Å; R371-T383 PolarHBondContact N-O 3.05Å; R371-T383 PolarHBondContact O-N 3.21Å
372	E	93.6	Very high	89.9	Confident	90 Å²	90	76.2 Å²	76.2	42%	0.421	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	138.9	173.8	-66.5	-177.1	178.2	0	0	111.4	L374 I408	E372-L374 PolarHBondContact O-N 2.69Å; E372-I408 HydrophobicContact CB-CD1 4.4Å; E372-I408 HydrophobicContact CG-CD1 3.53Å
373	A	90.6	Very high	90	Very high	18 Å²	18	76 Å²	76	15%	0.149	37%	0.368	C	S	.	.			trans	-94.1	95.3	-177.9	0	0	0	0	0	110.2	N375 E376 C381 T383	A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 2.99Å; A373-E376 HydrophobicContact CB-CB 4.35Å; A373-E376 HydrophobicContact CB-CG 3.85Å; A373-C381 HydrophobicContact CB-CB 3.82Å; A373-C381 WeakPolarHBondContact CB-O 3.13Å; A373-C381 PolarHBondContact N-O 2.86Å; A373-T383 WeakPolarHBondContact CB-OG1 3.35Å
374	L	82.3	Confident	90.2	Very high	150 Å²	150	71.9 Å²	71.9	79%	0.785	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.9	-175.6	-61.7	172.5	0	0	0	114.4	E372	E372-L374 PolarHBondContact O-N 2.69Å
375	N	80.7	Confident	90.3	Very high	161 Å²	161	72.6 Å²	72.6	86%	0.861	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	19.2	-172.3	-63.5	-17.9	0	0	0	113.2	A373	A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 2.99Å
376	E	85.7	Confident	90.3	Very high	42 Å²	42	71.7 Å²	71.7	20%	0.196	35%	0.348	C	S	.	.			trans	-105.6	138.9	-178.9	-72.8	-69.6	160.6	0	0	110.7	K325 A373 R378 C381 V395	K325-E376 IonicContact NZ-OE1 2.86Å; K325-E376 PolarHBondContact NZ-OE1 3.36Å; K325-E376 IonicContact NZ-OE2 2.79Å; K325-E376 PolarHBondContact NZ-OE2 3.28Å; A373-E376 HydrophobicContact CB-CB 4.35Å; A373-E376 HydrophobicContact CB-CG 3.85Å; E376-R378 PolarHBondContact O-N 3.15Å; E376-R378 VanDerWaalsContact O-N 3.14Å; E376-C381 HydrophobicContact CB-CB 4.09Å; E376-C381 HydrophobicContact CG-CB 4.43Å; E376-V395 HydrophobicContact CG-CG1 3.85Å
377	D	83.8	Confident	90.1	Very high	173 Å²	173	65.8 Å²	65.8	93%	0.925	33%	0.328	S	S	*	.	S	Bend	trans	-71	-5.7	-179.5	-65	-37.7	0	0	0	113.3
378	R	89.5	Confident	89.4	Confident	103 Å²	103	68.9 Å²	68.9	39%	0.389	35%	0.352	S	S	.	.	S	Bend	trans	-107.3	143	-177.8	-67.2	-161.1	179.3	-168.2	-0.4	111.3	W334 E376 C381	W334-R378 VanDerWaalsContact CB-NH1 3.3Å; W334-R378 HydrophobicContact CZ2-CB 4.39Å; W334-R378 HydrophobicContact CZ2-CG 4.19Å; E376-R378 PolarHBondContact O-N 3.15Å; E376-R378 VanDerWaalsContact O-N 3.14Å; R378-C381 VanDerWaalsContact CB-SG 3.58Å; R378-C381 PolarHBondContact O-SG 2.88Å; R378-C381 VanDerWaalsContact O-SG 3.34Å
379	R	90	Very high	88.1	Confident	192 Å²	192	72.7 Å²	72.7	73%	0.725	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	152.8	178.1	-59	-172.5	-59.1	179.1	2.8	111.5	C381 Q397	R379-C381 PolarHBondContact O-N 3.3Å; R379-Q397 WeakPolarHBondContact O-CG 3.41Å; R379-Q397 PolarHBondContact O-NE2 3.46Å
380	N	92.1	Very high	86.9	Confident	44 Å²	44	71.8 Å²	71.8	24%	0.235	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	39.6	173.8	-47.7	-34.7	0	0	0	112.6	T398 L399 S400 C404	N380-T398 VanDerWaalsContact CB-OG1 3.3Å; N380-T398 WeakPolarHBondContact CB-OG1 3.38Å; N380-T398 PolarHBondContact O-N 2.98Å; N380-T398 PolarHBondContact O-OG1 3.02Å; N380-L399 PolarHBondContact ND2-O 3.23Å; N380-L399 VanDerWaalsContact ND2-O 3.12Å; N380-S400 WeakPolarHBondContact ND2-CA 3.19Å; N380-C404 HydrophobicContact CB-CB 4.3Å
381	C	95.3	Very high	85.7	Confident	6 Å²	6	80 Å²	80	4%	0.041	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.4	175.4	-72.3	0	0	0	0	110.9	A373 E376 R378 R379 F396	A373-C381 HydrophobicContact CB-CB 3.82Å; A373-C381 WeakPolarHBondContact CB-O 3.13Å; A373-C381 PolarHBondContact N-O 2.86Å; E376-C381 HydrophobicContact CB-CB 4.09Å; E376-C381 HydrophobicContact CG-CB 4.43Å; R378-C381 VanDerWaalsContact CB-SG 3.58Å; R378-C381 PolarHBondContact O-SG 2.88Å; R378-C381 VanDerWaalsContact O-SG 3.34Å; R379-C381 PolarHBondContact O-N 3.3Å; C381-F396 CarbonylContact C-O 3.55Å; C381-F396 WeakPolarHBondContact CA-O 3.33Å; C381-F396 WeakPolarHBondContact CB-O 3.11Å
382	F	96	Very high	85.1	Confident	3 Å²	3	82.3 Å²	82.3	1%	0.013	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.4	170.6	69.8	-86.2	0	0	0	110.1	L322 R371 V384 F396 T398 W407 I408	L322-F382 HydrophobicContact CD1-CE1 4.34Å; L322-F382 HydrophobicContact CD1-CZ 3.99Å; L322-F382 HydrophobicContact CD2-CE1 4.35Å; R371-F382 CarbonylContact O-C 3.52Å; R371-F382 VanDerWaalsContact O-CA 3.32Å; R371-F382 WeakPolarHBondContact O-CA 3.43Å; R371-F382 WeakPolarHBondContact O-CB 3.11Å; F382-V384 HydrophobicContact CD2-CG2 3.93Å; F382-V384 HydrophobicContact CE2-CG2 3.7Å; F382-F396 HydrophobicContact CD1-CB 3.87Å; F382-F396 HydrophobicContact CD2-CB 4.29Å; F382-F396 HydrophobicContact CD2-CD2 4.16Å; F382-F396 HydrophobicContact CE1-CB 3.37Å; F382-F396 HydrophobicContact CE1-CG 4.23Å; F382-F396 HydrophobicContact CE2-CB 3.85Å; F382-F396 AromaticContact CE2-CD2 3.55Å; F382-F396 HydrophobicContact CE2-CD2 3.55Å; F382-F396 HydrophobicContact CE2-CE2 4.37Å; F382-F396 AromaticContact CE2-CG 3.94Å; F382-F396 HydrophobicContact CE2-CG 3.94Å; F382-F396 HydrophobicContact CG-CB 4.31Å; F382-F396 HydrophobicContact CZ-CB 3.36Å; F382-F396 AromaticContact CZ-CD2 3.83Å; F382-F396 HydrophobicContact CZ-CD2 3.83Å; F382-F396 AromaticContact CZ-CG 3.7Å; F382-F396 HydrophobicContact CZ-CG 3.7Å; F382-F396 PolarHBondContact N-O 3.38Å; F382-F396 PolarHBondContact O-N 3.48Å; F382-T398 HydrophobicContact CD1-CG2 4.28Å; F382-T398 HydrophobicContact CE1-CG2 3.9Å; F382-W407 HydrophobicContact CE1-CB 3.83Å; F382-W407 HydrophobicContact CE1-CG 4.26Å; F382-W407 HydrophobicContact CE2-CB 4.37Å; F382-W407 HydrophobicContact CZ-CB 3.74Å; F382-W407 HydrophobicContact CZ-CG 4.19Å; F382-I408 HydrophobicContact CB-CD1 3.73Å; F382-I408 HydrophobicContact CB-CG1 3.66Å; F382-I408 HydrophobicContact CD2-CG1 4.17Å; F382-I408 HydrophobicContact CG-CG1 4Å
383	T	94.5	Very high	84.8	Confident	10 Å²	10	82.2 Å²	82.2	6%	0.061	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.3	178.7	-55.5	0	0	0	0	109.2	A370 R371 A373 Q393 F394 V395	A370-T383 WeakPolarHBondContact CA-O 3.39Å; R371-T383 PolarHBondContact N-O 3.05Å; R371-T383 PolarHBondContact O-N 3.21Å; A373-T383 WeakPolarHBondContact CB-OG1 3.35Å; T383-Q393 HydrophobicContact CG2-CB 3.78Å; T383-Q393 HydrophobicContact CG2-CG 4.45Å; T383-F394 CarbonylContact C-O 3.56Å; T383-F394 VanDerWaalsContact CA-O 3.29Å; T383-F394 WeakPolarHBondContact CA-O 3.36Å; T383-V395 HydrophobicContact CG2-CG2 4.31Å
384	V	94.4	Very high	84.9	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.8	170.1	-176	0	0	0	0	107.9	F362 V368 A370 F382 L386 Q393 F394 F396 V411	F362-V384 HydrophobicContact CE2-CG1 3.81Å; F362-V384 HydrophobicContact CZ-CB 4.09Å; F362-V384 HydrophobicContact CZ-CG1 3.72Å; F362-V384 HydrophobicContact CZ-CG2 4.39Å; V368-V384 HydrophobicContact CG1-CG1 3.48Å; V368-V384 VanDerWaalsContact CG1-CG1 3.48Å; A370-V384 HydrophobicContact CB-CG2 4.1Å; F382-V384 HydrophobicContact CD2-CG2 3.93Å; F382-V384 HydrophobicContact CE2-CG2 3.7Å; V384-L386 HydrophobicContact CG1-CD2 4.04Å; V384-Q393 CarbonylContact O-C 3.53Å; V384-Q393 WeakPolarHBondContact O-CA 3.5Å; V384-F394 PolarHBondContact N-O 3.17Å; V384-F394 PolarHBondContact O-N 2.94Å; V384-F396 HydrophobicContact CB-CE2 4.11Å; V384-F396 HydrophobicContact CG2-CD2 3.9Å; V384-F396 HydrophobicContact CG2-CE2 3.66Å; V384-V411 HydrophobicContact CG1-CG1 4.33Å; V384-V411 HydrophobicContact CG2-CG1 4.45Å
385	T	92.6	Very high	85.5	Confident	22 Å²	22	77 Å²	77	14%	0.135	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.5	176.3	-46.9	0	0	0	0	108.3	V368 N369	V368-T385 WeakPolarHBondContact CA-O 3.37Å; N369-T385 PolarHBondContact N-O 3.48Å; N369-T385 PolarHBondContact O-N 3.36Å
386	L	90	Very high	86.2	Confident	29 Å²	29	69.4 Å²	69.4	15%	0.152	35%	0.349	C	S	.	.			trans	-101.3	125.1	175.9	-52.3	-175.4	0	0	0	109.7	F362 V368 V384 R392 F394	F362-L386 HydrophobicContact CB-CD1 3.59Å; F362-L386 HydrophobicContact CB-CD2 4.21Å; F362-L386 HydrophobicContact CD1-CD1 3.94Å; F362-L386 HydrophobicContact CD1-CD2 4.23Å; F362-L386 HydrophobicContact CD2-CD1 4.43Å; F362-L386 HydrophobicContact CD2-CD2 3.58Å; F362-L386 HydrophobicContact CE2-CD2 3.92Å; F362-L386 HydrophobicContact CG-CD1 3.76Å; F362-L386 HydrophobicContact CG-CD2 3.76Å; F362-L386 HydrophobicContact CG-CG 4.37Å; F362-L386 HydrophobicContact CZ-CD2 4.38Å; V368-L386 HydrophobicContact CB-CD2 4.47Å; V368-L386 HydrophobicContact CG1-CD2 4.2Å; V368-L386 HydrophobicContact CG2-CD2 3.59Å; V384-L386 HydrophobicContact CG1-CD2 4.04Å; L386-R392 HydrophobicContact CB-CB 4.24Å; L386-R392 PolarHBondContact N-O 3.47Å; L386-F394 HydrophobicContact CD1-CD2 4.04Å; L386-F394 HydrophobicContact CD1-CE2 3.48Å; L386-F394 VanDerWaalsContact CD1-CE2 3.48Å; L386-F394 HydrophobicContact CG-CD2 4.22Å; L386-F394 HydrophobicContact CG-CE2 4.13Å
387	G	83.1	Confident	86.6	Confident	27 Å²	27	68.9 Å²	68.9	28%	0.278	35%	0.346	S	S	.	.	S	Bend	trans	74.1	-179.9	-179.2	0	0	0	0	0	113.9	T367 D389	T367-G387 PolarHBondContact O-N 3.08Å; T367-G387 WeakPolarHBondContact OG1-CA 3.48Å; T367-G387 PolarHBondContact OG1-N 2.86Å; T367-G387 VanDerWaalsContact OG1-N 3.15Å; G387-D389 VanDerWaalsContact C-N 3.3Å; G387-D389 PolarHBondContact O-N 3.08Å
388	S	71.5	Confident	87.1	Confident	138 Å²	138	60.8 Å²	60.8	97%	0.965	30%	0.303	S	S	*	.	S	Bend	trans	-78.9	-8.2	179	52.6	0	0	0	0	114.4
389	D	65.3	Low	87.1	Confident	88 Å²	88	60.6 Å²	60.6	47%	0.471	31%	0.309	S	S	.	.	S	Bend	trans	-100	116.2	178.6	-168.3	-7.5	0	0	0	110.7	G387 K391 R392	G387-D389 VanDerWaalsContact C-N 3.3Å; G387-D389 PolarHBondContact O-N 3.08Å; D389-K391 PolarHBondContact O-N 3.04Å; D389-K391 WeakPolarHBondContact OD1-CG 3.26Å; D389-K391 PolarHBondContact OD1-N 3.4Å; D389-R392 PolarHBondContact O-N 2.97Å
390	A	65.3	Low	87	Confident	71 Å²	71	52.5 Å²	52.5	59%	0.587	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-2.6	-179.2	0	0	0	0	0	114.6
391	K	69.8	Low	86.8	Confident	175 Å²	175	55.7 Å²	55.7	76%	0.761	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.9	176.6	-72.1	178.9	-171.8	166.4	0	114.3	D389	D389-K391 PolarHBondContact O-N 3.04Å; D389-K391 WeakPolarHBondContact OD1-CG 3.26Å; D389-K391 PolarHBondContact OD1-N 3.4Å
392	R	80.9	Confident	86.4	Confident	186 Å²	186	59.1 Å²	59.1	70%	0.702	31%	0.31	S	S	*	.	S	Bend	trans	-102.8	81.3	178.5	-70.7	-170	-179.1	-166.9	1.7	110.6	L386 D389	L386-R392 HydrophobicContact CB-CB 4.24Å; L386-R392 PolarHBondContact N-O 3.47Å; D389-R392 PolarHBondContact O-N 2.97Å
393	Q	88.2	Confident	86.1	Confident	89 Å²	89	62 Å²	62	42%	0.416	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.1	176.6	65.2	179.1	-14.4	0	0	111.5	T383 V384	T383-Q393 HydrophobicContact CG2-CB 3.78Å; T383-Q393 HydrophobicContact CG2-CG 4.45Å; V384-Q393 CarbonylContact O-C 3.53Å; V384-Q393 WeakPolarHBondContact O-CA 3.5Å
394	F	92.5	Very high	86	Confident	53 Å²	53	61.7 Å²	61.7	23%	0.232	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.4	170.4	-67.4	-96.6	0	0	0	108.5	L324 L361 F362 T383 V384 L386 F396	L324-F394 HydrophobicContact CD1-CB 4.31Å; L324-F394 HydrophobicContact CD1-CD1 4Å; L361-F394 HydrophobicContact CD1-CE1 3.99Å; L361-F394 HydrophobicContact CD2-CD1 4.13Å; L361-F394 HydrophobicContact CD2-CE1 4.26Å; L361-F394 HydrophobicContact CG-CE1 4.17Å; F362-F394 HydrophobicContact CD1-CD1 4.48Å; F362-F394 AromaticContact CD1-CD2 3.71Å; F362-F394 HydrophobicContact CD1-CD2 3.71Å; F362-F394 HydrophobicContact CD1-CE1 4.38Å; F362-F394 AromaticContact CD1-CE2 3.63Å; F362-F394 HydrophobicContact CD1-CE2 3.63Å; F362-F394 HydrophobicContact CD1-CG 4.16Å; F362-F394 AromaticContact CD1-CZ 3.96Å; F362-F394 HydrophobicContact CD1-CZ 3.96Å; F362-F394 HydrophobicContact CE1-CB 4.11Å; F362-F394 HydrophobicContact CE1-CD1 4.15Å; F362-F394 AromaticContact CE1-CD2 3.53Å; F362-F394 HydrophobicContact CE1-CD2 3.53Å; F362-F394 HydrophobicContact CE1-CE1 4.49Å; F362-F394 AromaticContact CE1-CE2 3.96Å; F362-F394 HydrophobicContact CE1-CE2 3.96Å; F362-F394 AromaticContact CE1-CG 3.65Å; F362-F394 HydrophobicContact CE1-CG 3.65Å; F362-F394 HydrophobicContact CE1-CZ 4.41Å; T383-F394 CarbonylContact C-O 3.56Å; T383-F394 VanDerWaalsContact CA-O 3.29Å; T383-F394 WeakPolarHBondContact CA-O 3.36Å; V384-F394 PolarHBondContact N-O 3.17Å; V384-F394 PolarHBondContact O-N 2.94Å; L386-F394 HydrophobicContact CD1-CD2 4.04Å; L386-F394 HydrophobicContact CD1-CE2 3.48Å; L386-F394 VanDerWaalsContact CD1-CE2 3.48Å; L386-F394 HydrophobicContact CG-CD2 4.22Å; L386-F394 HydrophobicContact CG-CE2 4.13Å; F394-F396 HydrophobicContact CB-CD2 4.26Å; F394-F396 HydrophobicContact CB-CE2 3.45Å; F394-F396 VanDerWaalsContact CB-CE2 3.45Å; F394-F396 HydrophobicContact CB-CZ 3.82Å; F394-F396 HydrophobicContact CG-CE2 4.49Å; F394-F396 HydrophobicContact CG-CZ 4.49Å
395	V	93.6	Very high	85.9	Confident	6 Å²	6	65.9 Å²	65.9	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.2	178.3	-175.1	0	0	0	0	108.2	K325 W334 E376 T383	K325-V395 HydrophobicContact CB-CB 3.93Å; K325-V395 HydrophobicContact CB-CG1 4.46Å; K325-V395 WeakPolarHBondContact CB-O 3.21Å; K325-V395 HydrophobicContact CD-CB 4.15Å; K325-V395 HydrophobicContact CD-CG1 4.33Å; K325-V395 PolarHBondContact N-O 2.96Å; W334-V395 HydrophobicContact CH2-CG1 3.77Å; W334-V395 HydrophobicContact CZ3-CG1 4.4Å; E376-V395 HydrophobicContact CG-CG1 3.85Å; T383-V395 HydrophobicContact CG2-CG2 4.31Å
396	F	96	Very high	85.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.4	-179.4	-61.1	-86.5	0	0	0	110.3	L322 F323 L324 F339 L346 L361 F362 C381 F382 V384 F394	L322-F396 HydrophobicContact CB-CD1 4.37Å; L322-F396 HydrophobicContact CD1-CB 4.43Å; L322-F396 HydrophobicContact CD1-CD1 3.94Å; L322-F396 HydrophobicContact CD1-CG 4.37Å; F323-F396 CarbonylContact O-C 3.57Å; F323-F396 VanDerWaalsContact O-CA 3.29Å; F323-F396 WeakPolarHBondContact O-CA 3.37Å; L324-F396 HydrophobicContact CB-CD1 4.37Å; L324-F396 HydrophobicContact CB-CE1 4.4Å; L324-F396 HydrophobicContact CD1-CD1 3.97Å; L324-F396 HydrophobicContact CD1-CE1 3.65Å; L324-F396 HydrophobicContact CD1-CZ 4.01Å; L324-F396 HydrophobicContact CG-CE1 4.47Å; F339-F396 HydrophobicContact CD1-CE1 4.24Å; F339-F396 AromaticContact CE1-CE1 3.8Å; F339-F396 HydrophobicContact CE1-CE1 3.8Å; F339-F396 HydrophobicContact CZ-CD1 4.42Å; F339-F396 AromaticContact CZ-CE1 3.96Å; F339-F396 HydrophobicContact CZ-CE1 3.96Å; L346-F396 HydrophobicContact CD2-CE1 4.39Å; L346-F396 HydrophobicContact CD2-CE2 4.46Å; L346-F396 HydrophobicContact CD2-CZ 3.84Å; L361-F396 HydrophobicContact CD2-CE1 4.16Å; L361-F396 HydrophobicContact CD2-CZ 3.81Å; F362-F396 HydrophobicContact CE1-CE2 4.32Å; F362-F396 HydrophobicContact CE1-CZ 4.01Å; F362-F396 HydrophobicContact CZ-CE2 4.15Å; F362-F396 HydrophobicContact CZ-CZ 4.09Å; C381-F396 CarbonylContact C-O 3.55Å; C381-F396 WeakPolarHBondContact CA-O 3.33Å; C381-F396 WeakPolarHBondContact CB-O 3.11Å; F382-F396 HydrophobicContact CD1-CB 3.87Å; F382-F396 HydrophobicContact CD2-CB 4.29Å; F382-F396 HydrophobicContact CD2-CD2 4.16Å; F382-F396 HydrophobicContact CE1-CB 3.37Å; F382-F396 HydrophobicContact CE1-CG 4.23Å; F382-F396 HydrophobicContact CE2-CB 3.85Å; F382-F396 AromaticContact CE2-CD2 3.55Å; F382-F396 HydrophobicContact CE2-CD2 3.55Å; F382-F396 HydrophobicContact CE2-CE2 4.37Å; F382-F396 AromaticContact CE2-CG 3.94Å; F382-F396 HydrophobicContact CE2-CG 3.94Å; F382-F396 HydrophobicContact CG-CB 4.31Å; F382-F396 HydrophobicContact CZ-CB 3.36Å; F382-F396 AromaticContact CZ-CD2 3.83Å; F382-F396 HydrophobicContact CZ-CD2 3.83Å; F382-F396 AromaticContact CZ-CG 3.7Å; F382-F396 HydrophobicContact CZ-CG 3.7Å; F382-F396 PolarHBondContact N-O 3.38Å; F382-F396 PolarHBondContact O-N 3.48Å; V384-F396 HydrophobicContact CB-CE2 4.11Å; V384-F396 HydrophobicContact CG2-CD2 3.9Å; V384-F396 HydrophobicContact CG2-CE2 3.66Å; F394-F396 HydrophobicContact CB-CD2 4.26Å; F394-F396 HydrophobicContact CB-CE2 3.45Å; F394-F396 VanDerWaalsContact CB-CE2 3.45Å; F394-F396 HydrophobicContact CB-CZ 3.82Å; F394-F396 HydrophobicContact CG-CE2 4.49Å; F394-F396 HydrophobicContact CG-CZ 4.49Å
397	Q	95.1	Very high	86	Confident	31 Å²	31	65.5 Å²	65.5	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.5	174.2	179.3	-174.2	16.1	0	0	110.1	F323 W334 R379	F323-Q397 HydrophobicContact CB-CB 4.14Å; F323-Q397 PolarHBondContact N-O 3.46Å; F323-Q397 PolarHBondContact O-N 3.44Å; W334-Q397 HydrophobicContact CE3-CB 4.11Å; W334-Q397 HydrophobicContact CH2-CB 4.24Å; W334-Q397 HydrophobicContact CZ3-CB 3.58Å; R379-Q397 WeakPolarHBondContact O-CG 3.41Å; R379-Q397 PolarHBondContact O-NE2 3.46Å
398	T	94.1	Very high	86.5	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.018	33%	0.328	C	S	.	.			trans	-104.2	172.6	171.7	62.3	0	0	0	0	111.6	L322 N380 F382 S400 E403 C404 W407	L322-T398 HydrophobicContact CD2-CG2 3.52Å; N380-T398 VanDerWaalsContact CB-OG1 3.3Å; N380-T398 WeakPolarHBondContact CB-OG1 3.38Å; N380-T398 PolarHBondContact O-N 2.98Å; N380-T398 PolarHBondContact O-OG1 3.02Å; F382-T398 HydrophobicContact CD1-CG2 4.28Å; F382-T398 HydrophobicContact CE1-CG2 3.9Å; T398-S400 PolarHBondContact OG1-O 3.4Å; T398-E403 HydrophobicContact CG2-CB 3.97Å; T398-C404 HydrophobicContact CG2-CB 4.39Å; T398-C404 WeakPolarHBondContact OG1-CB 3.46Å; T398-C404 PolarHBondContact OG1-N 2.97Å; T398-W407 HydrophobicContact CG2-CG 4.47Å
399	L	90.1	Very high	87.5	Confident	100 Å²	100	59.6 Å²	59.6	52%	0.524	29%	0.288	S	S	.	.	S	Bend	trans	-85.7	-29.7	177.3	-65.7	179	0	0	0	112.6	F323 N380 E403	F323-L399 HydrophobicContact CE2-CD2 4.27Å; N380-L399 PolarHBondContact ND2-O 3.23Å; N380-L399 VanDerWaalsContact ND2-O 3.12Å; L399-E403 PolarHBondContact N-OE2 2.96Å
400	S	87.6	Confident	88.8	Confident	22 Å²	22	55.4 Å²	55.4	15%	0.154	27%	0.266	C	S	.	.	S	Bend	trans	-127.5	157.8	179.7	76.1	0	0	0	0	112.9	S301 N380 T398 K402 E403 C404	S301-S400 VanDerWaalsContact O-CB 3.23Å; S301-S400 WeakPolarHBondContact O-CB 3.4Å; N380-S400 WeakPolarHBondContact ND2-CA 3.19Å; T398-S400 PolarHBondContact OG1-O 3.4Å; S400-K402 VanDerWaalsContact C-N 3.27Å; S400-K402 PolarHBondContact O-N 2.89Å; S400-E403 PolarHBondContact O-N 3.24Å; S400-E403 WeakPolarHBondContact OG-CG 3.33Å; S400-E403 PolarHBondContact OG-N 2.93Å; S400-E403 VanDerWaalsContact OG-N 3.08Å; S400-C404 PolarHBondContact O-N 3.08Å; S400-C404 VanDerWaalsContact O-N 3.1Å
401	E	88.4	Confident	90.2	Very high	111 Å²	111	52.1 Å²	52.1	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-37.5	174.3	-171.9	-173.4	154.7	0	0	111.1	C404 K405	E401-C404 WeakPolarHBondContact O-CB 3.43Å; E401-C404 PolarHBondContact O-N 3.48Å; E401-K405 HydrophobicContact CG-CD 4.46Å; E401-K405 PolarHBondContact O-N 3.07Å; E401-K405 WeakPolarHBondContact OE1-CE 3.41Å; E401-K405 IonicContact OE1-NZ 2.59Å; E401-K405 PolarHBondContact OE1-NZ 3.25Å
402	K	86.2	Confident	91.3	Very high	78 Å²	78	45.8 Å²	45.8	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-57.1	-51.9	174.4	179.4	-174.1	175.2	-178	0	111.2	P309 S400 C404 K405 E406	P309-K402 HydrophobicContact CB-CD 3.64Å; P309-K402 HydrophobicContact CB-CG 4.31Å; P309-K402 HydrophobicContact CG-CD 4.12Å; P309-K402 HydrophobicContact CG-CG 4.46Å; S400-K402 VanDerWaalsContact C-N 3.27Å; S400-K402 PolarHBondContact O-N 2.89Å; K402-C404 VanDerWaalsContact C-N 3.28Å; K402-C404 PolarHBondContact O-N 3.31Å; K402-K405 PolarHBondContact O-N 3.47Å; K402-E406 WeakPolarHBondContact CE-OE1 3.42Å; K402-E406 WeakPolarHBondContact O-CG 3.23Å; K402-E406 PolarHBondContact O-N 3.01Å
403	E	89.7	Confident	91.7	Very high	63 Å²	63	38.7 Å²	38.7	29%	0.294	19%	0.189	S	C	.	.	H	α-helix	trans	-60.6	-38.9	177	-76.9	-176.4	158.9	0	0	111.9	T398 L399 S400 K405 E406 W407	T398-E403 HydrophobicContact CG2-CB 3.97Å; L399-E403 PolarHBondContact N-OE2 2.96Å; S400-E403 PolarHBondContact O-N 3.24Å; S400-E403 WeakPolarHBondContact OG-CG 3.33Å; S400-E403 PolarHBondContact OG-N 2.93Å; S400-E403 VanDerWaalsContact OG-N 3.08Å; E403-K405 PolarHBondContact O-N 3.45Å; E403-E406 PolarHBondContact O-N 3Å; E403-W407 WeakPolarHBondContact O-CB 3.36Å; E403-W407 PolarHBondContact O-N 3.3Å
404	C	92.3	Very high	91.9	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-49.5	178.3	-170.5	0	0	0	0	110.8	N380 T398 S400 E401 K402 W407 I408	N380-C404 HydrophobicContact CB-CB 4.3Å; T398-C404 HydrophobicContact CG2-CB 4.39Å; T398-C404 WeakPolarHBondContact OG1-CB 3.46Å; T398-C404 PolarHBondContact OG1-N 2.97Å; S400-C404 PolarHBondContact O-N 3.08Å; S400-C404 VanDerWaalsContact O-N 3.1Å; E401-C404 WeakPolarHBondContact O-CB 3.43Å; E401-C404 PolarHBondContact O-N 3.48Å; K402-C404 VanDerWaalsContact C-N 3.28Å; K402-C404 PolarHBondContact O-N 3.31Å; C404-W407 PolarHBondContact O-N 2.92Å; C404-I408 WeakPolarHBondContact O-CD1 3.44Å; C404-I408 VanDerWaalsContact O-CG1 3.27Å; C404-I408 WeakPolarHBondContact O-CG1 3.45Å; C404-I408 PolarHBondContact O-N 3.18Å
405	K	91.5	Very high	91.7	Very high	87 Å²	87	33.1 Å²	33.1	38%	0.378	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-40.9	177.7	-72.8	173.2	171.7	167.8	0	112.3	E401 K402 E403 I408 S409	E401-K405 HydrophobicContact CG-CD 4.46Å; E401-K405 PolarHBondContact O-N 3.07Å; E401-K405 WeakPolarHBondContact OE1-CE 3.41Å; E401-K405 IonicContact OE1-NZ 2.59Å; E401-K405 PolarHBondContact OE1-NZ 3.25Å; K402-K405 PolarHBondContact O-N 3.47Å; E403-K405 PolarHBondContact O-N 3.45Å; K405-I408 PolarHBondContact O-N 2.9Å; K405-S409 WeakPolarHBondContact O-CB 3.46Å; K405-S409 PolarHBondContact O-N 3.37Å
406	E	91.1	Very high	91.4	Very high	41 Å²	41	37 Å²	37	19%	0.192	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-44.7	175.5	-71.6	173.6	-179.3	0	0	113	F311 K318 K402 E403 A410	F311-E406 HydrophobicContact CD2-CG 3.69Å; F311-E406 HydrophobicContact CE2-CB 4.2Å; F311-E406 HydrophobicContact CE2-CG 3.67Å; K318-E406 VanDerWaalsContact CE-CB 3.44Å; K318-E406 WeakPolarHBondContact CE-OE2 3.44Å; K318-E406 IonicContact NZ-OE2 2.67Å; K318-E406 PolarHBondContact NZ-OE2 2.86Å; K402-E406 WeakPolarHBondContact CE-OE1 3.42Å; K402-E406 WeakPolarHBondContact O-CG 3.23Å; K402-E406 PolarHBondContact O-N 3.01Å; E403-E406 PolarHBondContact O-N 3Å; E406-A410 VanDerWaalsContact O-CB 3.28Å; E406-A410 WeakPolarHBondContact O-CB 3.06Å; E406-A410 PolarHBondContact O-N 2.99Å
407	W	94.5	Very high	90.5	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-44.4	176.6	-85.2	106.9	0	0	0	112.1	K318 L322 F339 T341 L346 F382 T398 E403 C404 S409 A410 V411	K318-W407 HydrophobicContact CB-CD2 4.24Å; K318-W407 HydrophobicContact CB-CE3 3.94Å; K318-W407 HydrophobicContact CB-CH2 4.12Å; K318-W407 HydrophobicContact CB-CZ2 4.4Å; K318-W407 HydrophobicContact CB-CZ3 3.86Å; K318-W407 HydrophobicContact CG-CD2 3.63Å; K318-W407 HydrophobicContact CG-CE3 3.87Å; K318-W407 HydrophobicContact CG-CG 4.2Å; K318-W407 HydrophobicContact CG-CH2 4.07Å; K318-W407 HydrophobicContact CG-CZ2 3.84Å; K318-W407 HydrophobicContact CG-CZ3 4.07Å; L322-W407 HydrophobicContact CD1-CD2 4.03Å; L322-W407 HydrophobicContact CD1-CE3 4.3Å; L322-W407 HydrophobicContact CD1-CH2 4.26Å; L322-W407 HydrophobicContact CD1-CZ2 3.98Å; L322-W407 HydrophobicContact CD1-CZ3 4.42Å; L322-W407 HydrophobicContact CD2-CD2 4.44Å; L322-W407 HydrophobicContact CD2-CG 4.38Å; L322-W407 HydrophobicContact CD2-CZ2 4.43Å; L322-W407 HydrophobicContact CG-CZ2 4.16Å; F339-W407 HydrophobicContact CB-CH2 3.9Å; F339-W407 HydrophobicContact CB-CZ2 4.47Å; T341-W407 HydrophobicContact CG2-CZ3 4.38Å; L346-W407 HydrophobicContact CD1-CZ3 3.93Å; F382-W407 HydrophobicContact CE1-CB 3.83Å; F382-W407 HydrophobicContact CE1-CG 4.26Å; F382-W407 HydrophobicContact CE2-CB 4.37Å; F382-W407 HydrophobicContact CZ-CB 3.74Å; F382-W407 HydrophobicContact CZ-CG 4.19Å; T398-W407 HydrophobicContact CG2-CG 4.47Å; E403-W407 WeakPolarHBondContact O-CB 3.36Å; E403-W407 PolarHBondContact O-N 3.3Å; C404-W407 PolarHBondContact O-N 2.92Å; W407-S409 PolarHBondContact O-N 3.36Å; W407-A410 PolarHBondContact O-N 2.72Å; W407-V411 WeakPolarHBondContact O-CB 3.44Å; W407-V411 VanDerWaalsContact O-CG2 3.3Å; W407-V411 WeakPolarHBondContact O-CG2 3.36Å; W407-V411 PolarHBondContact O-N 3.48Å
408	I	94	Very high	88.7	Confident	22 Å²	22	37.9 Å²	37.9	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-49.8	177.2	-71.8	165.2	0	0	0	110.8	A370 E372 F382 C404 K405 N412	A370-I408 HydrophobicContact CB-CB 4.4Å; A370-I408 HydrophobicContact CB-CG1 4.39Å; A370-I408 HydrophobicContact CB-CG2 4.21Å; A370-I408 WeakPolarHBondContact O-CG2 3.27Å; E372-I408 HydrophobicContact CB-CD1 4.4Å; E372-I408 HydrophobicContact CG-CD1 3.53Å; F382-I408 HydrophobicContact CB-CD1 3.73Å; F382-I408 HydrophobicContact CB-CG1 3.66Å; F382-I408 HydrophobicContact CD2-CG1 4.17Å; F382-I408 HydrophobicContact CG-CG1 4Å; C404-I408 WeakPolarHBondContact O-CD1 3.44Å; C404-I408 VanDerWaalsContact O-CG1 3.27Å; C404-I408 WeakPolarHBondContact O-CG1 3.45Å; C404-I408 PolarHBondContact O-N 3.18Å; K405-I408 PolarHBondContact O-N 2.9Å; I408-N412 WeakPolarHBondContact O-CB 3.48Å; I408-N412 VanDerWaalsContact O-CG 3.32Å; I408-N412 PolarHBondContact O-N 3.23Å; I408-N412 PolarHBondContact O-ND2 3Å
409	S	92.7	Very high	86.6	Confident	18 Å²	18	44.4 Å²	44.4	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-45.9	-179.8	174.1	0	0	0	0	111.9	F311 E313 K405 W407 V411 N412 N413	F311-S409 VanDerWaalsContact CZ-CB 3.49Å; E313-S409 PolarHBondContact O-OG 3.38Å; E313-S409 VanDerWaalsContact O-OG 3.05Å; K405-S409 WeakPolarHBondContact O-CB 3.46Å; K405-S409 PolarHBondContact O-N 3.37Å; W407-S409 PolarHBondContact O-N 3.36Å; S409-V411 VanDerWaalsContact C-N 3.35Å; S409-V411 PolarHBondContact O-N 2.62Å; S409-N412 PolarHBondContact O-N 3.37Å; S409-N413 VanDerWaalsContact O-CB 3.25Å; S409-N413 WeakPolarHBondContact O-CB 3.3Å; S409-N413 PolarHBondContact O-N 3.28Å; S409-N413 PolarHBondContact O-ND2 3.23Å; S409-N413 PolarHBondContact O-OD1 2.91Å; S409-N413 PolarHBondContact OG-ND2 3.2Å
410	A	92.2	Very high	84.2	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-45.6	178.6	0	0	0	0	0	112.2	S315 K318 E406 W407 N413 I414	S315-A410 WeakPolarHBondContact O-CA 3.4Å; K318-A410 HydrophobicContact CB-CB 3.84Å; E406-A410 VanDerWaalsContact O-CB 3.28Å; E406-A410 WeakPolarHBondContact O-CB 3.06Å; E406-A410 PolarHBondContact O-N 2.99Å; W407-A410 PolarHBondContact O-N 2.72Å; A410-N413 PolarHBondContact O-N 3.02Å; A410-I414 WeakPolarHBondContact O-CD1 3.44Å; A410-I414 WeakPolarHBondContact O-CG1 3.41Å; A410-I414 PolarHBondContact O-N 2.85Å; A410-I414 VanDerWaalsContact O-N 3.08Å
411	V	93.5	Very high	81.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-49.2	176.9	166.3	0	0	0	0	111.1	L364 V368 A370 V384 W407 S409 N413 I414 A415	L364-V411 HydrophobicContact CD2-CG1 3.84Å; L364-V411 HydrophobicContact CD2-CG2 4.48Å; V368-V411 HydrophobicContact CG1-CG1 3.87Å; A370-V411 HydrophobicContact CB-CB 3.91Å; A370-V411 HydrophobicContact CB-CG1 3.6Å; V384-V411 HydrophobicContact CG1-CG1 4.33Å; V384-V411 HydrophobicContact CG2-CG1 4.45Å; W407-V411 WeakPolarHBondContact O-CB 3.44Å; W407-V411 VanDerWaalsContact O-CG2 3.3Å; W407-V411 WeakPolarHBondContact O-CG2 3.36Å; W407-V411 PolarHBondContact O-N 3.48Å; S409-V411 VanDerWaalsContact C-N 3.35Å; S409-V411 PolarHBondContact O-N 2.62Å; V411-N413 PolarHBondContact O-N 3.43Å; V411-I414 PolarHBondContact O-N 3.45Å; V411-A415 WeakPolarHBondContact O-CB 3.43Å; V411-A415 PolarHBondContact O-N 3.04Å
412	N	92.5	Very high	79.2	Confident	42 Å²	42	46.4 Å²	46.4	23%	0.225	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-35.6	-179.5	-72	-22	0	0	0	112.8	A370 I408 S409 I414 A415 S416	A370-N412 PolarHBondContact N-OD1 3.14Å; A370-N412 PolarHBondContact O-ND2 3.3Å; I408-N412 WeakPolarHBondContact O-CB 3.48Å; I408-N412 VanDerWaalsContact O-CG 3.32Å; I408-N412 PolarHBondContact O-N 3.23Å; I408-N412 PolarHBondContact O-ND2 3Å; S409-N412 PolarHBondContact O-N 3.37Å; N412-I414 VanDerWaalsContact C-N 3.35Å; N412-A415 PolarHBondContact O-N 3.46Å; N412-S416 VanDerWaalsContact O-CB 3.29Å; N412-S416 WeakPolarHBondContact O-CB 3.33Å; N412-S416 PolarHBondContact O-N 2.88Å; N412-S416 PolarHBondContact O-OG 2.98Å
413	N	90.8	Very high	76.4	Confident	38 Å²	38	48 Å²	48	20%	0.203	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-35.9	177.4	-72.1	-19.3	0	0	0	112.4	E313 S315 R316 S409 A410 V411 S416 A417	E313-N413 PolarHBondContact O-ND2 3.03Å; S315-N413 PolarHBondContact O-ND2 3.28Å; R316-N413 HydrophobicContact CG-CB 4.19Å; S409-N413 VanDerWaalsContact O-CB 3.25Å; S409-N413 WeakPolarHBondContact O-CB 3.3Å; S409-N413 PolarHBondContact O-N 3.28Å; S409-N413 PolarHBondContact O-ND2 3.23Å; S409-N413 PolarHBondContact O-OD1 2.91Å; S409-N413 PolarHBondContact OG-ND2 3.2Å; A410-N413 PolarHBondContact O-N 3.02Å; V411-N413 PolarHBondContact O-N 3.43Å; N413-S416 PolarHBondContact O-OG 3.02Å; N413-A417 PolarHBondContact O-N 2.93Å
414	I	90.9	Very high	73.6	Confident	22 Å²	22	49 Å²	49	11%	0.113	33%	0.328	C	S	.	.	H	α-helix	trans	-73.4	-47	176	-62.6	161.2	0	0	0	109.5	R316 T341 L364 A410 V411 N412 S416 A417	R316-I414 HydrophobicContact CB-CG1 4.2Å; R316-I414 WeakPolarHBondContact O-CD1 3.48Å; R316-I414 WeakPolarHBondContact O-CG1 3.31Å; T341-I414 HydrophobicContact CG2-CD1 3.55Å; L364-I414 HydrophobicContact CB-CB 4.28Å; L364-I414 HydrophobicContact CB-CG2 3.66Å; L364-I414 HydrophobicContact CD1-CB 3.99Å; L364-I414 HydrophobicContact CD1-CD1 3.76Å; L364-I414 HydrophobicContact CD1-CG2 3.72Å; L364-I414 HydrophobicContact CG-CG2 4.34Å; A410-I414 WeakPolarHBondContact O-CD1 3.44Å; A410-I414 WeakPolarHBondContact O-CG1 3.41Å; A410-I414 PolarHBondContact O-N 2.85Å; A410-I414 VanDerWaalsContact O-N 3.08Å; V411-I414 PolarHBondContact O-N 3.45Å; N412-I414 VanDerWaalsContact C-N 3.35Å; I414-S416 PolarHBondContact O-N 2.82Å; I414-A417 WeakPolarHBondContact O-CB 3.38Å; I414-A417 PolarHBondContact O-N 3.25Å; I414-A417 VanDerWaalsContact O-N 3.14Å
415	A	90.1	Very high	70.5	Confident	2 Å²	2	55.3 Å²	55.3	2%	0.017	37%	0.366	C	S	.	.	H	α-helix	trans	-55.6	-48	177.2	0	0	0	0	0	112.9	L364 D365 E366 V368 V411 N412 A417 G418	L364-A415 WeakPolarHBondContact O-CA 3.12Å; D365-A415 CarbonylContact C-O 3.47Å; D365-A415 WeakPolarHBondContact O-CA 3.36Å; D365-A415 WeakPolarHBondContact O-CB 3.34Å; E366-A415 WeakPolarHBondContact CA-O 3.38Å; E366-A415 PolarHBondContact N-O 3.45Å; V368-A415 HydrophobicContact CB-CB 4Å; V411-A415 WeakPolarHBondContact O-CB 3.43Å; V411-A415 PolarHBondContact O-N 3.04Å; N412-A415 PolarHBondContact O-N 3.46Å; A415-A417 PolarHBondContact O-N 3.36Å; A415-G418 PolarHBondContact O-N 3.25Å
416	S	85.8	Confident	67.7	Low	87 Å²	87	58.6 Å²	58.6	61%	0.608	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.7	-179.9	57.9	0	0	0	0	114.5	N412 N413 I414 G418	N412-S416 VanDerWaalsContact O-CB 3.29Å; N412-S416 WeakPolarHBondContact O-CB 3.33Å; N412-S416 PolarHBondContact O-N 2.88Å; N412-S416 PolarHBondContact O-OG 2.98Å; N413-S416 PolarHBondContact O-OG 3.02Å; I414-S416 PolarHBondContact O-N 2.82Å; S416-G418 VanDerWaalsContact C-N 3.28Å; S416-G418 PolarHBondContact O-N 2.97Å
417	A	76.6	Confident	64.6	Low	35 Å²	35	63.2 Å²	63.2	29%	0.289	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.8	178.4	0	0	0	0	0	113.1	N413 I414 A415	N413-A417 PolarHBondContact O-N 2.93Å; I414-A417 WeakPolarHBondContact O-CB 3.38Å; I414-A417 PolarHBondContact O-N 3.25Å; I414-A417 VanDerWaalsContact O-N 3.14Å; A415-A417 PolarHBondContact O-N 3.36Å
418	G	57.3	Low	61.4	Low	16 Å²	16	70.7 Å²	70.7	17%	0.165	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	60.2	170.3	-178.6	0	0	0	0	0	113.5	E366 A415 S416 G420	E366-G418 WeakPolarHBondContact OE1-CA 3.35Å; A415-G418 PolarHBondContact O-N 3.25Å; S416-G418 VanDerWaalsContact C-N 3.28Å; S416-G418 PolarHBondContact O-N 2.97Å; G418-G420 PolarHBondContact O-N 2.86Å
419	H	50.6	Low	58.1	Low	139 Å²	139	77.7 Å²	77.7	64%	0.644	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-63.7	17.9	178.7	-81	24.3	0	0	0	115.4	E363 A421	E363-H419 IonicContact OE1-CE1 2.95Å; E363-H419 PolarHBondContact OE1-CE1 2.98Å; E363-H419 IonicContact OE1-NE2 3.71Å; E363-H419 PolarHBondContact OE1-NE2 3.49Å; H419-A421 VanDerWaalsContact C-N 3.33Å; H419-A421 PolarHBondContact O-N 3.41Å
420	G	40.8	Very low	54.9	Low	77 Å²	77	82.1 Å²	82.1	79%	0.794	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-80.8	0.5	-179.7	0	0	0	0	0	115.9	G418	G418-G420 PolarHBondContact O-N 2.86Å
421	A	39	Very low	51.8	Low	82 Å²	82	90.9 Å²	90.9	68%	0.678	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-110.8	11.7	178.1	0	0	0	0	0	114.1	H419 S423	H419-A421 VanDerWaalsContact C-N 3.33Å; H419-A421 PolarHBondContact O-N 3.41Å; A421-S423 VanDerWaalsContact C-N 3.34Å; A421-S423 PolarHBondContact O-N 3.18Å
422	S	31.5	Very low	48.5	Very low	117 Å²	117	96.3 Å²	96.3	82%	0.818	59%	0.592	S	S	*	*			trans	-96.4	59.5	172.7	-158.9	0	0	0	0	111.1
423	S	27.1	Very low	45.5	Very low	110 Å²	110	101 Å²	101	77%	0.769	62%	0.622	S	S	*	*			trans	-158.2	60.2	160.4	-154.4	0	0	0	0	110.3	A421	A421-S423 VanDerWaalsContact C-N 3.34Å; A421-S423 PolarHBondContact O-N 3.18Å
424	A	31.1	Very low	42.4	Very low	86 Å²	86	104.7 Å²	104.7	71%	0.711	65%	0.648	S	S	*	*			trans	-128.5	51.9	156.6	0	0	0	0	0	109.5	I426	A424-I426 PolarHBondContact O-N 2.94Å; A424-I426 VanDerWaalsContact O-N 3.07Å
425	T	26.2	Very low	39.3	Very low	135 Å²	135	107.2 Å²	107.2	83%	0.828	68%	0.679	S	S	*	*			trans	-65.1	85.2	139.1	15	0	0	0	0	106.6
426	I	32.5	Very low	36.3	Very low	157 Å²	157	114 Å²	114	81%	0.805	72%	0.72	S	S	*	*			trans	-90.6	117.6	150.7	-67.1	179.9	0	0	0	105.1	A424	A424-I426 PolarHBondContact O-N 2.94Å; A424-I426 VanDerWaalsContact O-N 3.07Å
427	N	26.4	Very low	33.2	Very low	137 Å²	137	121.1 Å²	121.1	73%	0.733	73%	0.734	S	S	*	*			trans	-25.9	136.1	175.7	-78.5	-22.6	0	0	0	114.8	Q429	N427-Q429 VanDerWaalsContact C-N 3.25Å; N427-Q429 PolarHBondContact O-N 3.37Å
428	D	27.5	Very low	30.7	Very low	161 Å²	161	125.3 Å²	125.3	86%	0.861	76%	0.76	S	S	*	*	S	Bend	trans	-41.7	92.9	139.5	-159.9	12.5	0	0	0	110.1
429	Q	25.3	Very low	29.1	Very low	168 Å²	168	133.7 Å²	133.7	79%	0.785	79%	0.794	S	S	*	*			trans	176.7	117.6	151.5	-97.3	163.6	60.8	0	0	110.1	N427	N427-Q429 VanDerWaalsContact C-N 3.25Å; N427-Q429 PolarHBondContact O-N 3.37Å
430	S	26.1	Very low	27.7	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	80%	0.798	S	S	*	*			trans	65.4	121.2	151.6	48.9	0	0	0	0	121
431	E	25.1	Very low	26.9	Very low	186 Å²	186	136.6 Å²	136.6	87%	0.869	80%	0.801	S	S	*	*			trans	81.4	147.5	141.1	-77.9	-156.6	159.5	0	0	122.4
432	P	26.1	Very low	26.2	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-91.2	142.6	-151.5	36	-32.1	0	0	0	113.2
433	V	28.7	Very low	25.7	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-85.1	134.1	-178.7	178.8	0	0	0	0	111.5
434	P	26.2	Very low	25.6	Very low	117 Å²	117	140.8 Å²	140.8	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.3	141.1	176.6	32.4	-32.9	0	0	0	112.9
435	G	24.4	Very low	25.3	Very low	74 Å²	74	142.8 Å²	142.8	76%	0.763	80%	0.801	S	S	*	*			trans	79.8	97.2	140.7	0	0	0	0	0	118.2
436	T	27	Very low	25.2	Very low	144 Å²	144	146 Å²	146	88%	0.883	81%	0.807	S	S	*	*			trans	-128.3	122.9	140.3	-60.3	0	0	0	0	109.2	C438	T436-C438 PolarHBondContact O-N 2.63Å
437	R	22.5	Very low	25	Very low	238 Å²	238	141.3 Å²	141.3	90%	0.898	79%	0.786	S	S	*	*			trans	-54	114.8	-178.6	-71.8	168.6	171.6	161.9	-3.2	111.2
438	C	23.8	Very low	25.1	Very low	122 Å²	122	143.9 Å²	143.9	82%	0.824	79%	0.793	S	S	*	*			trans	-80.2	131.1	150.6	-76.4	0	0	0	0	108.1	T436 D440	T436-C438 PolarHBondContact O-N 2.63Å; C438-D440 PolarHBondContact O-N 3.22Å
439	H	22.9	Very low	25.4	Very low	192 Å²	192	137 Å²	137	89%	0.889	76%	0.757	S	S	*	*			trans	-63	107.2	172.4	-95.2	-83.1	0	0	0	109.4	V441	H439-V441 PolarHBondContact O-N 2.96Å
440	D	22.4	Very low	26.1	Very low	136 Å²	136	131 Å²	131	73%	0.727	73%	0.73	S	S	*	*			trans	-81	112.8	177.5	-155	-10.4	0	0	0	109.6	C438 S442	C438-D440 PolarHBondContact O-N 3.22Å; D440-S442 VanDerWaalsContact C-N 3.29Å; D440-S442 PolarHBondContact O-N 2.91Å
441	V	23.1	Very low	27	Very low	142 Å²	142	131.9 Å²	131.9	86%	0.861	74%	0.736	S	S	*	*			trans	-91.4	75.6	162.7	-177.7	0	0	0	0	106.4	H439	H439-V441 PolarHBondContact O-N 2.96Å
442	S	23.9	Very low	28.6	Very low	86 Å²	86	124.5 Å²	124.5	60%	0.601	71%	0.707	S	S	*	*			trans	-154.7	77.6	163.8	-79.4	0	0	0	0	109.1	D440 S444	D440-S442 VanDerWaalsContact C-N 3.29Å; D440-S442 PolarHBondContact O-N 2.91Å; S442-S444 VanDerWaalsContact C-N 3.34Å; S442-S444 PolarHBondContact O-N 3.12Å
443	K	22	Very low	30.6	Very low	217 Å²	217	124.6 Å²	124.6	94%	0.943	71%	0.708	S	S	*	*			trans	-70.4	93.3	160.9	-87.7	-176.4	175.2	177.2	0	108.5
444	S	24.1	Very low	33.1	Very low	94 Å²	94	120.1 Å²	120.1	66%	0.657	68%	0.679	S	S	*	*			trans	-158.6	95.5	154.2	53	0	0	0	0	111.5	S442	S442-S444 VanDerWaalsContact C-N 3.34Å; S442-S444 PolarHBondContact O-N 3.12Å
445	V	25.1	Very low	35.7	Very low	127 Å²	127	118.6 Å²	118.6	77%	0.77	66%	0.661	S	S	*	*			trans	52.8	88.1	147.3	-163.2	0	0	0	0	116.3	V447	V445-V447 HydrophobicContact CG1-CG2 3.8Å; V445-V447 PolarHBondContact O-N 3.32Å
446	E	24	Very low	38.4	Very low	202 Å²	202	116.9 Å²	116.9	94%	0.944	63%	0.633	S	S	*	*			trans	-64.8	111.7	154.1	-82.1	-179.4	149.9	0	0	108.6
447	V	29.2	Very low	40.4	Very low	60 Å²	60	115.3 Å²	115.3	36%	0.364	62%	0.619	S	S	.	*			trans	-90	121.8	167.7	176.1	0	0	0	0	107	V445 V449	V445-V447 HydrophobicContact CG1-CG2 3.8Å; V445-V447 PolarHBondContact O-N 3.32Å; V447-V449 HydrophobicContact CG1-CB 4.31Å; V447-V449 HydrophobicContact CG1-CG2 3.63Å; V447-V449 PolarHBondContact O-N 2.91Å
448	E	28.3	Very low	42.4	Very low	190 Å²	190	104.3 Å²	104.3	89%	0.888	58%	0.578	S	S	*	*			trans	-67.7	72.2	-177.9	-166.3	178.9	-160.9	0	0	111.4
449	V	33.5	Very low	43.6	Very low	16 Å²	16	103.6 Å²	103.6	10%	0.097	56%	0.561	C	S	.	*			trans	-135	111	-175.7	172.8	0	0	0	0	108.4	V447 V500 E511 K515	V447-V449 HydrophobicContact CG1-CB 4.31Å; V447-V449 HydrophobicContact CG1-CG2 3.63Å; V447-V449 PolarHBondContact O-N 2.91Å; V449-V500 HydrophobicContact CG1-CG1 4.48Å; V449-E511 WeakPolarHBondContact CB-OE2 3.28Å; V449-E511 VanDerWaalsContact CG1-OE2 3.25Å; V449-E511 WeakPolarHBondContact CG1-OE2 3.38Å; V449-K515 PolarHBondContact O-NZ 3.4Å
450	L	39.7	Very low	44	Very low	42 Å²	42	97.1 Å²	97.1	22%	0.22	55%	0.547	C	S	.	.			trans	96.1	98.4	155.9	-51.5	149.5	0	0	0	119	A452 I498 A499 V500 K515	L450-A452 HydrophobicContact CD2-CB 4.23Å; L450-I498 HydrophobicContact CB-CD1 4.29Å; L450-I498 HydrophobicContact CD1-CD1 3.73Å; L450-I498 HydrophobicContact CD2-CD1 3.49Å; L450-I498 VanDerWaalsContact CD2-CD1 3.49Å; L450-I498 HydrophobicContact CD2-CG1 3.65Å; L450-I498 HydrophobicContact CG-CD1 4.01Å; L450-A499 WeakPolarHBondContact CD2-O 3.43Å; L450-V500 HydrophobicContact CD1-CG1 4.36Å; L450-V500 HydrophobicContact CD2-CG1 3.55Å; L450-V500 HydrophobicContact CG-CG1 4.27Å; L450-K515 HydrophobicContact CB-CD 4.24Å; L450-K515 HydrophobicContact CD1-CD 3.68Å
451	S	45.6	Very low	44.2	Very low	131 Å²	131	98.2 Å²	98.2	92%	0.916	55%	0.551	S	S	*	*			trans	-98.3	8.5	145.9	55.3	0	0	0	0	112.8
452	A	57.8	Low	44.3	Very low	31 Å²	31	96.5 Å²	96.5	26%	0.256	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-80.9	137	-172.7	0	0	0	0	0	112.3	L450 A499	L450-A452 HydrophobicContact CD2-CB 4.23Å; A452-A499 HydrophobicContact CB-CB 4.18Å; A452-A499 WeakPolarHBondContact CB-O 3.49Å
453	P	68.6	Low	44.3	Very low	117 Å²	117	99.9 Å²	99.9	76%	0.76	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-64.1	142	-179.9	24.3	-31.9	0	0	0	112.1
454	I	80.6	Confident	44.5	Very low	45 Å²	45	95.4 Å²	95.4	23%	0.231	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.8	175.7	-59.7	167.6	0	0	0	108.8	F456 S497 I498 K515 V516 A519	I454-F456 HydrophobicContact CB-CE2 4.09Å; I454-F456 HydrophobicContact CB-CZ 3.92Å; I454-F456 HydrophobicContact CG2-CD1 4.16Å; I454-F456 HydrophobicContact CG2-CD2 4.39Å; I454-F456 HydrophobicContact CG2-CE1 3.52Å; I454-F456 HydrophobicContact CG2-CE2 3.81Å; I454-F456 HydrophobicContact CG2-CZ 3.33Å; I454-S497 WeakPolarHBondContact CA-O 3.28Å; I454-I498 HydrophobicContact CD1-CD1 4.49Å; I454-I498 HydrophobicContact CG1-CD1 3.85Å; I454-I498 HydrophobicContact CG1-CG1 4.22Å; I454-K515 HydrophobicContact CD1-CB 4.23Å; I454-V516 HydrophobicContact CG2-CG2 4Å; I454-A519 HydrophobicContact CD1-CB 3.62Å
455	Q	81.5	Confident	44.5	Very low	85 Å²	85	99 Å²	99	40%	0.397	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.1	115.7	179	-167.6	-180	-21.4	0	0	110.4	D457 G496 S497	Q455-D457 WeakPolarHBondContact CG-O 3.32Å; Q455-D457 PolarHBondContact NE2-O 3.16Å; Q455-G496 CarbonylContact O-C 3.56Å; Q455-G496 VanDerWaalsContact O-CA 3.27Å; Q455-G496 WeakPolarHBondContact O-CA 3.44Å; Q455-S497 PolarHBondContact N-O 2.96Å; Q455-S497 PolarHBondContact O-N 3.34Å
456	F	81.7	Confident	44.5	Very low	37 Å²	37	95.7 Å²	95.7	16%	0.162	55%	0.549	C	S	.	.			trans	-93.8	-21.4	-177.4	-62.8	-71.7	0	0	0	114.2	I454 F494 L495 V516 A519 R520 I525	I454-F456 HydrophobicContact CB-CE2 4.09Å; I454-F456 HydrophobicContact CB-CZ 3.92Å; I454-F456 HydrophobicContact CG2-CD1 4.16Å; I454-F456 HydrophobicContact CG2-CD2 4.39Å; I454-F456 HydrophobicContact CG2-CE1 3.52Å; I454-F456 HydrophobicContact CG2-CE2 3.81Å; I454-F456 HydrophobicContact CG2-CZ 3.33Å; F456-F494 WeakPolarHBondContact O-CE1 3.22Å; F456-L495 WeakPolarHBondContact CD1-O 3.29Å; F456-V516 HydrophobicContact CE1-CG1 4.36Å; F456-A519 HydrophobicContact CZ-CB 3.69Å; F456-R520 HydrophobicContact CD1-CG 3.94Å; F456-R520 HydrophobicContact CE1-CG 3.49Å; F456-R520 VanDerWaalsContact CE1-CG 3.49Å; F456-R520 HydrophobicContact CZ-CG 4.37Å; F456-I525 HydrophobicContact CD1-CD1 4.03Å; F456-I525 HydrophobicContact CD2-CD1 3.37Å; F456-I525 HydrophobicContact CE1-CD1 4Å; F456-I525 HydrophobicContact CE2-CD1 3.31Å; F456-I525 HydrophobicContact CG-CD1 3.74Å; F456-I525 HydrophobicContact CG-CG2 4.43Å; F456-I525 HydrophobicContact CZ-CD1 3.64Å
457	D	69.1	Low	44.5	Very low	111 Å²	111	91.4 Å²	91.4	59%	0.594	54%	0.541	S	S	*	.	S	Bend	trans	-104.1	121.3	175.3	-71.8	-30.1	0	0	0	109.8	Q455 F459	Q455-D457 WeakPolarHBondContact CG-O 3.32Å; Q455-D457 PolarHBondContact NE2-O 3.16Å; D457-F459 PolarHBondContact O-N 3.3Å
458	M	62.9	Low	44.3	Very low	8 Å²	8	97.5 Å²	97.5	4%	0.039	57%	0.566	C	S	.	*	S	Bend	trans	-73.5	95	-177.6	-156	154.2	80.7	0	0	109.3	F494 L531 L544 K553 A554	M458-F494 HydrophobicContact CB-CD1 3.97Å; M458-F494 HydrophobicContact CB-CE1 3.94Å; M458-F494 HydrophobicContact CB-CG 4.46Å; M458-F494 HydrophobicContact CB-CZ 4.42Å; M458-F494 HydrophobicContact CG-CE1 4.46Å; M458-F494 HydrophobicContact CG-CZ 4.47Å; M458-F494 HydrophobicContact SD-CB 4.34Å; M458-F494 HydrophobicContact SD-CD1 4.29Å; M458-F494 HydrophobicContact SD-CD2 3.67Å; M458-F494 HydrophobicContact SD-CE2 3.98Å; M458-F494 HydrophobicContact SD-CG 3.84Å; M458-F494 HydrophobicContact SD-CZ 4.39Å; M458-L531 HydrophobicContact CE-CD1 3.41Å; M458-L531 VanDerWaalsContact CE-CD1 3.41Å; M458-L531 HydrophobicContact CE-CD2 3.64Å; M458-L531 HydrophobicContact CE-CG 4.19Å; M458-L531 HydrophobicContact SD-CD1 4.14Å; M458-L544 HydrophobicContact CE-CB 3.68Å; M458-L544 HydrophobicContact CE-CD1 3.71Å; M458-L544 HydrophobicContact CE-CG 4.34Å; M458-L544 HydrophobicContact SD-CD1 3.82Å; M458-K553 HydrophobicContact CE-CB 3.27Å; M458-K553 HydrophobicContact CE-CG 4.11Å; M458-A554 HydrophobicContact CE-CB 4.47Å
459	F	48.8	Very low	44	Very low	106 Å²	106	93.3 Å²	93.3	47%	0.465	56%	0.558	S	S	.	*			trans	58.1	95.5	-176.6	-48.4	-73.9	0	0	0	113.7	D457 L461 K553 A554	D457-F459 PolarHBondContact O-N 3.3Å; F459-L461 PolarHBondContact O-N 2.93Å; F459-K553 VanDerWaalsContact CD2-O 3.3Å; F459-K553 WeakPolarHBondContact CD2-O 3.47Å; F459-A554 HydrophobicContact CE2-CB 4.15Å
460	G	31.7	Very low	43.6	Very low	57 Å²	57	102.2 Å²	102.2	59%	0.588	60%	0.595	S	S	*	*			trans	-51.2	135.5	158.7	0	0	0	0	0	108.9
461	L	26	Very low	42.9	Very low	158 Å²	158	104.3 Å²	104.3	83%	0.827	61%	0.614	S	S	*	*			trans	-29.2	123.7	168.3	-67.4	151	0	0	0	109.7	F459 D463	F459-L461 PolarHBondContact O-N 2.93Å; L461-D463 PolarHBondContact O-N 3.28Å; L461-D463 VanDerWaalsContact O-N 3.08Å
462	P	26.2	Very low	41.8	Very low	106 Å²	106	103.2 Å²	103.2	69%	0.688	61%	0.612	S	S	*	*			trans	-63.5	118.8	165.3	2.5	10.8	0	0	0	105.8	T464	P462-T464 PolarHBondContact O-N 3.07Å
463	D	24	Very low	40.2	Very low	157 Å²	157	106 Å²	106	84%	0.84	63%	0.63	S	S	*	*			trans	-57.4	86.8	154.3	-72.8	-36	0	0	0	106.8	L461 D465	L461-D463 PolarHBondContact O-N 3.28Å; L461-D463 VanDerWaalsContact O-N 3.08Å; D463-D465 PolarHBondContact O-N 3.34Å; D463-D465 VanDerWaalsContact O-N 3.12Å
464	T	26.2	Very low	38.1	Very low	123 Å²	123	108.4 Å²	108.4	76%	0.755	64%	0.637	S	S	*	*			trans	-79.9	76.5	159.6	42	0	0	0	0	107.6	P462	P462-T464 PolarHBondContact O-N 3.07Å
465	D	24	Very low	35.5	Very low	170 Å²	170	115.5 Å²	115.5	91%	0.909	67%	0.666	S	S	*	*			trans	-72.2	110.8	144.4	-97.5	-19.8	0	0	0	107.2	D463	D463-D465 PolarHBondContact O-N 3.34Å; D463-D465 VanDerWaalsContact O-N 3.12Å
466	G	24.7	Very low	32.7	Very low	58 Å²	58	116.5 Å²	116.5	60%	0.598	68%	0.682	S	S	*	*	S	Bend	trans	141.8	76	171.3	0	0	0	0	0	114.5
467	S	23.8	Very low	30.1	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	71%	0.709	S	S	*	*			trans	41.9	101.4	143.7	62.5	0	0	0	0	117.9
468	E	25	Very low	28	Very low	188 Å²	188	125.1 Å²	125.1	88%	0.879	72%	0.72	S	S	*	*				-177.2	135	96.9	-94.9	-177.8	178	0	0	109.9
469	S	22.1	Very low	26.3	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	76%	0.756	S	S	*	*			trans	-40.9	128.9	174.9	49.6	0	0	0	0	114.4
470	F	25	Very low	25.3	Very low	203 Å²	203	134.8 Å²	134.8	89%	0.89	77%	0.771	S	S	*	*				-152.5	137.3	129	-104.8	-76.8	0	0	0	111.4
471	S	24.8	Very low	25.2	Very low	87 Å²	87	137.2 Å²	137.2	61%	0.608	78%	0.779	S	S	*	*			trans	-43.8	139.7	-170.5	49.1	0	0	0	0	117.6	S473	S471-S473 PolarHBondContact O-N 3.18Å
472	A	23.6	Very low	26	Very low	107 Å²	107	135.4 Å²	135.4	88%	0.884	78%	0.775	S	S	*	*			trans	-46.7	116.7	152.4	0	0	0	0	0	110.2
473	S	24.6	Very low	27.2	Very low	90 Å²	90	138 Å²	138	63%	0.629	78%	0.783	S	S	*	*			trans	-145.3	114.2	167.1	-63.2	0	0	0	0	107.5	S471 K475	S471-S473 PolarHBondContact O-N 3.18Å; S473-K475 PolarHBondContact O-N 3.4Å
474	D	24.4	Very low	29.3	Very low	168 Å²	168	133.2 Å²	133.2	90%	0.898	76%	0.76	S	S	*	*			trans	-27.5	104	158	-85.8	-43.8	0	0	0	112.1
475	K	24.7	Very low	31.9	Very low	193 Å²	193	132.3 Å²	132.3	84%	0.839	75%	0.747	S	S	*	*			trans	-135.5	84.2	154.8	-73.7	-167.7	179.9	175.4	0	108.6	S473 L477	S473-K475 PolarHBondContact O-N 3.4Å; K475-L477 PolarHBondContact O-N 3.14Å
476	S	23.5	Very low	34.9	Very low	106 Å²	106	128.5 Å²	128.5	74%	0.741	73%	0.726	S	S	*	*			trans	-22.9	117.7	133.5	166	0	0	0	0	109.8	K478	S476-K478 VanDerWaalsContact C-N 3.26Å; S476-K478 PolarHBondContact O-N 3.43Å
477	L	27.6	Very low	38	Very low	139 Å²	139	128.3 Å²	128.3	73%	0.728	71%	0.708	S	S	*	*			trans	-56.3	95.7	165.7	-93.8	141.7	0	0	0	107.7	K475 Q479	K475-L477 PolarHBondContact O-N 3.14Å; L477-Q479 PolarHBondContact O-N 3.22Å
478	K	24.4	Very low	41.3	Very low	190 Å²	190	123.8 Å²	123.8	83%	0.826	68%	0.678	S	S	*	*			trans	-63.7	111.4	152.1	-81	-173.6	174.2	-176.2	0	106.9	S476	S476-K478 VanDerWaalsContact C-N 3.26Å; S476-K478 PolarHBondContact O-N 3.43Å
479	Q	26.7	Very low	44.6	Very low	168 Å²	168	120.3 Å²	120.3	79%	0.785	66%	0.657	S	S	*	*			trans	-46	144.8	147.6	-87.1	164	-57.9	0	0	110.8	L477	L477-Q479 PolarHBondContact O-N 3.22Å
480	D	27.5	Very low	48.1	Very low	149 Å²	149	116 Å²	116	80%	0.797	63%	0.625	S	S	*	*			trans	72.2	131.7	163.6	-50.5	-27.2	0	0	0	116.5
481	S	30	Very low	51.5	Low	108 Å²	108	107.8 Å²	107.8	76%	0.755	59%	0.593	S	S	*	*			cis	-153.7	102.3	27.9	58.4	0	0	0	0	111.7
482	T	42.5	Very low	54.8	Low	120 Å²	120	103.6 Å²	103.6	74%	0.736	56%	0.564	S	S	*	*	S	Bend	trans	-116	135.4	136.7	41.7	0	0	0	0	104.3	V484	T482-V484 WeakPolarHBondContact O-CG2 3.37Å; T482-V484 PolarHBondContact O-N 2.92Å
483	D	52.5	Low	58.1	Low	161 Å²	161	101.5 Å²	101.5	86%	0.861	53%	0.534	S	S	*	.			trans	-62.8	83.5	-179.7	-83.1	-34.5	0	0	0	109.9	E485	D483-E485 PolarHBondContact O-N 3.43Å
484	V	68.6	Low	61.4	Low	57 Å²	57	97.2 Å²	97.2	35%	0.345	51%	0.505	S	S	.	.			trans	-84	91.8	174.6	175.6	0	0	0	0	105.8	T482 I486 L536	T482-V484 WeakPolarHBondContact O-CG2 3.37Å; T482-V484 PolarHBondContact O-N 2.92Å; V484-I486 PolarHBondContact O-N 3.05Å; V484-I486 VanDerWaalsContact O-N 3.12Å; V484-L536 HydrophobicContact CG1-CD1 3.83Å; V484-L536 HydrophobicContact CG1-CD2 3.3Å; V484-L536 HydrophobicContact CG1-CG 4.12Å
485	E	80.3	Confident	64.7	Low	103 Å²	103	89.8 Å²	89.8	48%	0.481	47%	0.465	S	S	.	.			trans	-67.2	110.6	173.6	-93.9	-161.8	140.7	0	0	109.5	D483 K537	D483-E485 PolarHBondContact O-N 3.43Å; E485-K537 HydrophobicContact CB-CB 3.95Å; E485-K537 HydrophobicContact CB-CD 4.14Å; E485-K537 HydrophobicContact CB-CG 4.49Å; E485-K537 PolarHBondContact O-N 3.22Å; E485-K537 WeakPolarHBondContact OE2-CD 3.41Å; E485-K537 IonicContact OE2-NZ 2.69Å
486	I	86.8	Confident	67.9	Low	91 Å²	91	80.6 Å²	80.6	47%	0.467	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.5	173.6	-61.3	173.7	0	0	0	108.2	V484 I534 L536	V484-I486 PolarHBondContact O-N 3.05Å; V484-I486 VanDerWaalsContact O-N 3.12Å; I486-I534 HydrophobicContact CD1-CG2 4.48Å; I486-I534 HydrophobicContact CG1-CG2 4.26Å; I486-I534 HydrophobicContact CG2-CG2 3.97Å; I486-L536 HydrophobicContact CG1-CD2 3.87Å
487	F	89.1	Confident	71.1	Confident	53 Å²	53	76 Å²	76	23%	0.232	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-47.7	170.4	-164.1	-83	0	0	0	110.7	I535 K537 V610 Q613 A614 F617	F487-I535 WeakPolarHBondContact CA-O 3.12Å; F487-I535 HydrophobicContact CB-CB 4.19Å; F487-I535 HydrophobicContact CB-CG2 3.95Å; F487-I535 WeakPolarHBondContact CB-O 3.22Å; F487-I535 HydrophobicContact CG-CG2 4.45Å; F487-I535 PolarHBondContact N-O 3.28Å; F487-K537 HydrophobicContact CB-CG 4.14Å; F487-K537 HydrophobicContact CD2-CD 4.29Å; F487-K537 HydrophobicContact CD2-CG 3.69Å; F487-K537 HydrophobicContact CG-CG 4.42Å; F487-V610 HydrophobicContact CD1-CG1 3.96Å; F487-V610 HydrophobicContact CE1-CG1 3.87Å; F487-Q613 HydrophobicContact CE1-CB 4.24Å; F487-Q613 HydrophobicContact CZ-CB 4.05Å; F487-A614 HydrophobicContact CD1-CB 3.77Å; F487-A614 HydrophobicContact CD2-CB 4.18Å; F487-A614 HydrophobicContact CE1-CB 3.79Å; F487-A614 HydrophobicContact CE2-CB 4.21Å; F487-A614 HydrophobicContact CG-CB 3.98Å; F487-A614 HydrophobicContact CZ-CB 4.02Å; F487-F617 HydrophobicContact CE2-CB 4.2Å; F487-F617 HydrophobicContact CE2-CG 4.33Å
488	A	93.5	Very high	74	Confident	17 Å²	17	69.5 Å²	69.5	14%	0.14	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	157.7	176.8	0	0	0	0	0	112	F490 I535 V610	A488-F490 HydrophobicContact CB-CE2 3.65Å; A488-F490 HydrophobicContact CB-CZ 3.69Å; A488-I535 HydrophobicContact CB-CD1 4.49Å; A488-I535 PolarHBondContact N-O 3.15Å; A488-I535 PolarHBondContact O-N 3.41Å; A488-V610 HydrophobicContact CB-CG1 3.59Å
489	R	94.6	Very high	77	Confident	115 Å²	115	62.9 Å²	62.9	43%	0.434	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.4	174.2	177.3	173.3	-161.2	142.1	0.9	109.5	D532 L533 I534	R489-D532 IonicContact CZ-OD2 2.81Å; R489-D532 VanDerWaalsContact CZ-OD2 3.3Å; R489-D532 IonicContact NE-OD2 3.19Å; R489-D532 PolarHBondContact NE-OD2 3.21Å; R489-D532 VanDerWaalsContact NE-OD2 3.08Å; R489-D532 IonicContact NH2-OD2 2.63Å; R489-D532 PolarHBondContact NH2-OD2 3.3Å; R489-L533 CarbonylContact C-O 3.59Å; R489-L533 WeakPolarHBondContact CA-O 3.37Å; R489-I534 HydrophobicContact CG-CG1 4.06Å
490	F	96.1	Very high	79.7	Confident	11 Å²	11	55.3 Å²	55.3	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.3	179.7	-53.8	-73.5	0	0	0	110.4	A488 T492 D532 L533 I535 E602 I607 V610	A488-F490 HydrophobicContact CB-CE2 3.65Å; A488-F490 HydrophobicContact CB-CZ 3.69Å; F490-T492 HydrophobicContact CB-CG2 4.17Å; F490-D532 CarbonylContact O-C 3.54Å; F490-D532 WeakPolarHBondContact O-CA 3.25Å; F490-L533 HydrophobicContact CD2-CD2 3.85Å; F490-L533 PolarHBondContact N-O 3.5Å; F490-L533 PolarHBondContact O-N 3.37Å; F490-I535 HydrophobicContact CE2-CD1 4.02Å; F490-E602 HydrophobicContact CD1-CB 4.21Å; F490-E602 HydrophobicContact CD1-CG 3.93Å; F490-E602 HydrophobicContact CE1-CB 4.34Å; F490-E602 HydrophobicContact CE1-CG 3.91Å; F490-I607 HydrophobicContact CB-CD1 4.08Å; F490-I607 HydrophobicContact CB-CG1 4.32Å; F490-I607 HydrophobicContact CD1-CD1 4.3Å; F490-I607 HydrophobicContact CD1-CG1 3.72Å; F490-I607 HydrophobicContact CD2-CG1 4.21Å; F490-I607 HydrophobicContact CD2-CG2 3.98Å; F490-I607 HydrophobicContact CE1-CG1 4Å; F490-I607 HydrophobicContact CE2-CG1 4.44Å; F490-I607 HydrophobicContact CE2-CG2 4.11Å; F490-I607 HydrophobicContact CG-CD1 4.13Å; F490-I607 HydrophobicContact CG-CG1 3.82Å; F490-I607 HydrophobicContact CG-CG2 4.37Å; F490-I607 HydrophobicContact CZ-CG1 4.33Å; F490-V610 HydrophobicContact CE2-CB 4.35Å; F490-V610 HydrophobicContact CE2-CG1 4.18Å; F490-V610 HydrophobicContact CZ-CB 3.79Å; F490-V610 HydrophobicContact CZ-CG1 3.79Å; F490-V610 HydrophobicContact CZ-CG2 4.01Å
491	S	94.8	Very high	81.8	Confident	30 Å²	30	52.8 Å²	52.8	21%	0.21	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.1	168.3	-79.3	0	0	0	0	110	D532 K547 T599 G600	S491-D532 PolarHBondContact OG-OD1 3.28Å; S491-K547 WeakPolarHBondContact OG-CE 3.38Å; S491-K547 PolarHBondContact OG-NZ 2.8Å; S491-T599 VanDerWaalsContact C-OG1 3.27Å; S491-T599 PolarHBondContact O-N 3Å; S491-T599 PolarHBondContact O-OG1 2.88Å; S491-G600 PolarHBondContact O-N 2.9Å; S491-G600 VanDerWaalsContact O-N 3.15Å
492	T	95.4	Very high	83.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	168.7	-175.6	68.2	0	0	0	0	111.3	F490 L531 L533 F574 E597 T599 I607	F490-T492 HydrophobicContact CB-CG2 4.17Å; T492-L531 PolarHBondContact N-O 2.9Å; T492-L531 PolarHBondContact O-N 3.5Å; T492-L533 HydrophobicContact CG2-CB 3.93Å; T492-L533 HydrophobicContact CG2-CD1 4.48Å; T492-F574 HydrophobicContact CG2-CE1 4.12Å; T492-F574 HydrophobicContact CG2-CZ 3.93Å; T492-E597 CarbonylContact C-O 3.58Å; T492-E597 WeakPolarHBondContact CA-O 3.4Å; T492-E597 WeakPolarHBondContact CB-O 3.44Å; T492-T599 PolarHBondContact N-OG1 3.34Å; T492-I607 HydrophobicContact CG2-CD1 4.45Å
493	K	93.6	Very high	84.8	Confident	62 Å²	62	48.1 Å²	48.1	27%	0.27	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.1	167.6	-94.4	179.6	179.6	-173.2	0	109	A528 V529 D530 L596 E597 T599	K493-A528 HydrophobicContact CB-CB 4.42Å; K493-A528 HydrophobicContact CD-CB 4.05Å; K493-A528 HydrophobicContact CG-CB 4.35Å; K493-V529 CarbonylContact C-O 3.5Å; K493-V529 WeakPolarHBondContact CA-O 3.36Å; K493-D530 WeakPolarHBondContact CE-OD1 3.44Å; K493-D530 VanDerWaalsContact CE-OD2 3.27Å; K493-D530 WeakPolarHBondContact CE-OD2 3.49Å; K493-D530 WeakPolarHBondContact CG-OD1 3.36Å; K493-D530 IonicContact NZ-OD2 2.94Å; K493-L596 CarbonylContact O-C 3.5Å; K493-L596 WeakPolarHBondContact O-CA 3.43Å; K493-E597 HydrophobicContact CB-CB 4.39Å; K493-E597 PolarHBondContact N-O 3.45Å; K493-E597 PolarHBondContact O-N 3.27Å; K493-T599 HydrophobicContact CB-CG2 4.11Å; K493-T599 HydrophobicContact CD-CG2 3.89Å; K493-T599 HydrophobicContact CG-CG2 3.76Å
494	F	93.9	Very high	85.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.1	170.3	172	-99.9	0	0	0	110.4	F456 M458 G496 S497 V529 L531 H594	F456-F494 WeakPolarHBondContact O-CE1 3.22Å; M458-F494 HydrophobicContact CB-CD1 3.97Å; M458-F494 HydrophobicContact CB-CE1 3.94Å; M458-F494 HydrophobicContact CB-CG 4.46Å; M458-F494 HydrophobicContact CB-CZ 4.42Å; M458-F494 HydrophobicContact CG-CE1 4.46Å; M458-F494 HydrophobicContact CG-CZ 4.47Å; M458-F494 HydrophobicContact SD-CB 4.34Å; M458-F494 HydrophobicContact SD-CD1 4.29Å; M458-F494 HydrophobicContact SD-CD2 3.67Å; M458-F494 HydrophobicContact SD-CE2 3.98Å; M458-F494 HydrophobicContact SD-CG 3.84Å; M458-F494 HydrophobicContact SD-CZ 4.39Å; F494-G496 WeakPolarHBondContact CE2-O 3.32Å; F494-S497 WeakPolarHBondContact CE2-OG 3.47Å; F494-S497 WeakPolarHBondContact CZ-OG 3.44Å; F494-V529 HydrophobicContact CB-CB 4.47Å; F494-V529 PolarHBondContact N-O 3.45Å; F494-L531 HydrophobicContact CB-CD1 3.4Å; F494-L531 VanDerWaalsContact CB-CD1 3.4Å; F494-L531 HydrophobicContact CB-CG 4.4Å; F494-L531 HydrophobicContact CG-CD1 4.42Å; F494-H594 HydrophobicContact CE2-CB 4.37Å; F494-H594 AromaticContact CE2-ND1 3.94Å
495	L	92.9	Very high	85.8	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.063	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-31.6	-177.9	-62.7	-178.5	0	0	0	112.3	F456 V516 R520 A528 M573 V595 E597	F456-L495 WeakPolarHBondContact CD1-O 3.29Å; L495-V516 HydrophobicContact CB-CG1 4.04Å; L495-R520 WeakPolarHBondContact O-CD 3.21Å; L495-R520 PolarHBondContact O-NH1 3.45Å; L495-A528 HydrophobicContact CD2-CB 4.32Å; L495-M573 HydrophobicContact CD1-CG 3.92Å; L495-M573 HydrophobicContact CD1-SD 3.98Å; L495-V595 HydrophobicContact CB-CB 4.44Å; L495-V595 HydrophobicContact CB-CG1 4.2Å; L495-V595 WeakPolarHBondContact CB-O 3.46Å; L495-V595 HydrophobicContact CD1-CG1 4.08Å; L495-V595 PolarHBondContact N-O 3.07Å; L495-E597 HydrophobicContact CD1-CB 4Å; L495-E597 HydrophobicContact CD2-CB 4.44Å; L495-E597 HydrophobicContact CG-CB 4.22Å
496	G	91.6	Very high	85.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	163.3	177.3	0	0	0	0	0	113.1	Q455 F494 V595	Q455-G496 CarbonylContact O-C 3.56Å; Q455-G496 VanDerWaalsContact O-CA 3.27Å; Q455-G496 WeakPolarHBondContact O-CA 3.44Å; F494-G496 WeakPolarHBondContact CE2-O 3.32Å; G496-V595 PolarHBondContact N-O 3.47Å; G496-V595 PolarHBondContact O-N 3.26Å
497	S	91.6	Very high	85.6	Confident	9 Å²	9	51 Å²	51	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.5	174.2	-50.5	0	0	0	0	110.4	I454 Q455 F494 C593 H594	I454-S497 WeakPolarHBondContact CA-O 3.28Å; Q455-S497 PolarHBondContact N-O 2.96Å; Q455-S497 PolarHBondContact O-N 3.34Å; F494-S497 WeakPolarHBondContact CE2-OG 3.47Å; F494-S497 WeakPolarHBondContact CZ-OG 3.44Å; S497-C593 CarbonylContact C-O 3.52Å; S497-C593 VanDerWaalsContact CA-O 3.29Å; S497-C593 WeakPolarHBondContact CA-O 3.25Å; S497-H594 PolarHBondContact OG-CE1 3.34Å; S497-H594 PolarHBondContact OG-ND1 3.39Å
498	I	88.4	Confident	85.3	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.7	171.5	-164	172.3	0	0	0	110.6	L450 I454 V500 A512 K515 C593	L450-I498 HydrophobicContact CB-CD1 4.29Å; L450-I498 HydrophobicContact CD1-CD1 3.73Å; L450-I498 HydrophobicContact CD2-CD1 3.49Å; L450-I498 VanDerWaalsContact CD2-CD1 3.49Å; L450-I498 HydrophobicContact CD2-CG1 3.65Å; L450-I498 HydrophobicContact CG-CD1 4.01Å; I454-I498 HydrophobicContact CD1-CD1 4.49Å; I454-I498 HydrophobicContact CG1-CD1 3.85Å; I454-I498 HydrophobicContact CG1-CG1 4.22Å; I498-V500 HydrophobicContact CG2-CG1 4.48Å; I498-A512 HydrophobicContact CG2-CB 3.59Å; I498-K515 HydrophobicContact CD1-CB 4.46Å; I498-K515 HydrophobicContact CD1-CD 4.44Å; I498-C593 HydrophobicContact CG2-CB 4.04Å; I498-C593 PolarHBondContact N-O 3.42Å; I498-C593 PolarHBondContact O-N 3.46Å
499	A	86.8	Confident	85	Confident	51 Å²	51	47.9 Å²	47.9	42%	0.421	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.5	174.7	0	0	0	0	0	110.2	L450 A452 F591	L450-A499 WeakPolarHBondContact CD2-O 3.43Å; A452-A499 HydrophobicContact CB-CB 4.18Å; A452-A499 WeakPolarHBondContact CB-O 3.49Å; A499-F591 WeakPolarHBondContact CA-O 3.41Å
500	V	83.5	Confident	84.6	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.2	-172.4	-88.2	0	0	0	0	111.2	V449 L450 I498 I508 L577 F591 C593	V449-V500 HydrophobicContact CG1-CG1 4.48Å; L450-V500 HydrophobicContact CD1-CG1 4.36Å; L450-V500 HydrophobicContact CD2-CG1 3.55Å; L450-V500 HydrophobicContact CG-CG1 4.27Å; I498-V500 HydrophobicContact CG2-CG1 4.48Å; V500-I508 HydrophobicContact CB-CG2 3.7Å; V500-I508 HydrophobicContact CG1-CG2 3.37Å; V500-I508 HydrophobicContact CG2-CG2 3.98Å; V500-L577 HydrophobicContact CG2-CD1 3.51Å; V500-F591 HydrophobicContact CG2-CB 3.83Å; V500-F591 WeakPolarHBondContact CG2-O 3.39Å; V500-F591 PolarHBondContact N-O 3.48Å; V500-F591 PolarHBondContact O-N 3.19Å; V500-C593 HydrophobicContact CG2-CB 4.11Å
501	S	71.9	Confident	84.1	Confident	97 Å²	97	46.5 Å²	46.5	68%	0.678	25%	0.245	S	C	*	.	S	Bend	trans	-89.1	-4.7	-166.7	51.7	0	0	0	0	115
502	S	70.7	Confident	83.9	Confident	32 Å²	32	45 Å²	45	22%	0.224	24%	0.235	C	C	.	.			trans	-148	157.2	-170.4	160.8	0	0	0	0	112	R504 I508	S502-R504 PolarHBondContact OG-N 3Å; S502-R504 VanDerWaalsContact OG-N 3.09Å; S502-I508 WeakPolarHBondContact O-CD1 3.33Å
503	D	65	Low	83.7	Confident	98 Å²	98	45.1 Å²	45.1	52%	0.524	24%	0.236	S	C	.	.			trans	-88.9	14.7	173.8	72.5	-27	0	0	0	114	K505 F591	D503-K505 WeakPolarHBondContact O-CG 3.38Å; D503-K505 PolarHBondContact O-N 2.63Å; D503-F591 HydrophobicContact CB-CE1 4.34Å; D503-F591 HydrophobicContact CB-CE2 4.22Å; D503-F591 HydrophobicContact CB-CZ 3.86Å
504	R	64.3	Low	83.5	Confident	170 Å²	170	48.5 Å²	48.5	64%	0.642	25%	0.25	S	S	*	.			trans	-67.8	82.9	174.1	-76.3	-172.5	177.9	-169.8	1.6	110.9	S502 E506 I508	S502-R504 PolarHBondContact OG-N 3Å; S502-R504 VanDerWaalsContact OG-N 3.09Å; R504-E506 PolarHBondContact O-N 2.98Å; R504-I508 HydrophobicContact CB-CD1 3.78Å; R504-I508 HydrophobicContact CB-CG1 4.15Å; R504-I508 VanDerWaalsContact O-CB 3.28Å; R504-I508 WeakPolarHBondContact O-CB 3.28Å; R504-I508 WeakPolarHBondContact O-CD1 3.38Å; R504-I508 WeakPolarHBondContact O-CG1 3.44Å; R504-I508 PolarHBondContact O-N 2.81Å
505	K	76.9	Confident	83.2	Confident	99 Å²	99	51.6 Å²	51.6	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-48.6	-52.9	-159.7	-61.5	-163.5	-179.7	-159.8	0	115.7	D503 T509 A562 Y563	D503-K505 WeakPolarHBondContact O-CG 3.38Å; D503-K505 PolarHBondContact O-N 2.63Å; K505-T509 PolarHBondContact O-OG1 2.92Å; K505-A562 PolarHBondContact NZ-O 3.19Å; K505-Y563 HydrophobicContact CB-CD1 3.8Å; K505-Y563 HydrophobicContact CB-CD2 3.54Å; K505-Y563 HydrophobicContact CB-CE1 4.1Å; K505-Y563 HydrophobicContact CB-CE2 3.83Å; K505-Y563 HydrophobicContact CB-CG 3.49Å; K505-Y563 VanDerWaalsContact CB-CG 3.49Å; K505-Y563 HydrophobicContact CD-CD2 3.61Å; K505-Y563 HydrophobicContact CD-CE2 4.31Å; K505-Y563 HydrophobicContact CD-CG 4.06Å; K505-Y563 HydrophobicContact CG-CD2 4.08Å; K505-Y563 HydrophobicContact CG-CG 4.13Å; K505-Y563 WeakPolarHBondContact O-CD1 3.16Å; K505-Y563 WeakPolarHBondContact O-CE1 3.16Å
506	E	81.3	Confident	83.1	Confident	100 Å²	100	51 Å²	51	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-82.3	-52.8	-170.5	-168.6	173.2	-170.9	0	0	113.3	R504 I508 T509 V510 Y563	R504-E506 PolarHBondContact O-N 2.98Å; E506-I508 VanDerWaalsContact C-N 3.27Å; E506-I508 PolarHBondContact O-N 2.94Å; E506-T509 PolarHBondContact O-N 3.14Å; E506-T509 PolarHBondContact O-OG1 3.41Å; E506-V510 WeakPolarHBondContact O-CG2 3.32Å; E506-V510 PolarHBondContact O-N 3.12Å; E506-V510 VanDerWaalsContact O-N 3.09Å; E506-Y563 HydrophobicContact CB-CE1 4.32Å
507	N	81.1	Confident	83	Confident	103 Å²	103	53.3 Å²	53.3	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-59.7	-40.1	-178.9	-76.4	-4.9	0	0	0	112	E511	N507-E511 WeakPolarHBondContact O-CB 3.19Å; N507-E511 PolarHBondContact O-N 3.13Å
508	I	84	Confident	82.7	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-40.6	-178.2	-67.5	177	0	0	0	111.5	V500 S502 R504 E506 E511 A512	V500-I508 HydrophobicContact CB-CG2 3.7Å; V500-I508 HydrophobicContact CG1-CG2 3.37Å; V500-I508 HydrophobicContact CG2-CG2 3.98Å; S502-I508 WeakPolarHBondContact O-CD1 3.33Å; R504-I508 HydrophobicContact CB-CD1 3.78Å; R504-I508 HydrophobicContact CB-CG1 4.15Å; R504-I508 VanDerWaalsContact O-CB 3.28Å; R504-I508 WeakPolarHBondContact O-CB 3.28Å; R504-I508 WeakPolarHBondContact O-CD1 3.38Å; R504-I508 WeakPolarHBondContact O-CG1 3.44Å; R504-I508 PolarHBondContact O-N 2.81Å; E506-I508 VanDerWaalsContact C-N 3.27Å; E506-I508 PolarHBondContact O-N 2.94Å; I508-E511 PolarHBondContact O-N 3.47Å; I508-A512 VanDerWaalsContact O-CB 3.24Å; I508-A512 WeakPolarHBondContact O-CB 3.39Å; I508-A512 PolarHBondContact O-N 3.12Å
509	T	86.4	Confident	82.4	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69	-40.6	178.7	34.1	0	0	0	0	111.7	K505 E506 E511 A512 I513 Y563 T565 A575 L577	K505-T509 PolarHBondContact O-OG1 2.92Å; E506-T509 PolarHBondContact O-N 3.14Å; E506-T509 PolarHBondContact O-OG1 3.41Å; T509-E511 VanDerWaalsContact C-N 3.34Å; T509-E511 PolarHBondContact O-N 3.07Å; T509-A512 PolarHBondContact O-N 3.37Å; T509-I513 WeakPolarHBondContact O-CG1 3.35Å; T509-I513 PolarHBondContact O-N 3.13Å; T509-Y563 HydrophobicContact CG2-CD1 4Å; T509-T565 HydrophobicContact CG2-CG2 4.31Å; T509-T565 WeakPolarHBondContact OG1-CG2 3.48Å; T509-A575 HydrophobicContact CG2-CB 3.98Å; T509-L577 HydrophobicContact CG2-CB 4.19Å
510	V	86.3	Confident	82.4	Confident	48 Å²	48	57.8 Å²	57.8	29%	0.291	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-41.6	175	175.1	0	0	0	0	111.3	E506 I513 K514	E506-V510 WeakPolarHBondContact O-CG2 3.32Å; E506-V510 PolarHBondContact O-N 3.12Å; E506-V510 VanDerWaalsContact O-N 3.09Å; V510-I513 PolarHBondContact O-N 3.35Å; V510-K514 PolarHBondContact O-N 3.16Å; V510-K514 VanDerWaalsContact O-N 3.13Å
511	E	86.4	Confident	82.3	Confident	49 Å²	49	65 Å²	65	23%	0.229	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-38.1	178	-145.5	-157.5	155.4	0	0	112.4	V449 N507 I508 T509 K514 K515	V449-E511 WeakPolarHBondContact CB-OE2 3.28Å; V449-E511 VanDerWaalsContact CG1-OE2 3.25Å; V449-E511 WeakPolarHBondContact CG1-OE2 3.38Å; N507-E511 WeakPolarHBondContact O-CB 3.19Å; N507-E511 PolarHBondContact O-N 3.13Å; I508-E511 PolarHBondContact O-N 3.47Å; T509-E511 VanDerWaalsContact C-N 3.34Å; T509-E511 PolarHBondContact O-N 3.07Å; E511-K514 PolarHBondContact O-N 3.01Å; E511-K515 PolarHBondContact O-N 2.99Å; E511-K515 VanDerWaalsContact OE1-CE 3.24Å; E511-K515 WeakPolarHBondContact OE1-CE 3.41Å; E511-K515 IonicContact OE1-NZ 3.23Å; E511-K515 PolarHBondContact OE1-NZ 3.32Å
512	A	89.9	Confident	82.2	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-45.1	174.1	0	0	0	0	0	111.5	I498 I508 T509 K514 K515 V516 C593	I498-A512 HydrophobicContact CG2-CB 3.59Å; I508-A512 VanDerWaalsContact O-CB 3.24Å; I508-A512 WeakPolarHBondContact O-CB 3.39Å; I508-A512 PolarHBondContact O-N 3.12Å; T509-A512 PolarHBondContact O-N 3.37Å; A512-K514 VanDerWaalsContact C-N 3.34Å; A512-K514 PolarHBondContact O-N 3.45Å; A512-K515 PolarHBondContact O-N 3.21Å; A512-V516 WeakPolarHBondContact O-CB 3.47Å; A512-V516 WeakPolarHBondContact O-CG2 3.17Å; A512-V516 PolarHBondContact O-N 3.07Å; A512-C593 HydrophobicContact CB-CB 3.87Å; A512-C593 VanDerWaalsContact CB-SG 3.53Å
513	I	91	Very high	82.1	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-56.1	-50.8	174.1	-69.9	166.3	0	0	0	110.1	T509 V510 K515 V516 T517 H567 M573 A575 V595	T509-I513 WeakPolarHBondContact O-CG1 3.35Å; T509-I513 PolarHBondContact O-N 3.13Å; V510-I513 PolarHBondContact O-N 3.35Å; I513-K515 PolarHBondContact O-N 2.99Å; I513-V516 PolarHBondContact O-N 3.39Å; I513-T517 PolarHBondContact O-N 3.42Å; I513-T517 PolarHBondContact O-OG1 3.37Å; I513-H567 HydrophobicContact CD1-CB 4.21Å; I513-H567 VanDerWaalsContact CG2-CD2 3.42Å; I513-H567 WeakPolarHBondContact CG2-CD2 3.48Å; I513-M573 HydrophobicContact CG2-SD 3.41Å; I513-M573 WeakPolarHBondContact CG2-SD 3.38Å; I513-A575 HydrophobicContact CD1-CB 3.85Å; I513-A575 HydrophobicContact CG1-CB 3.88Å; I513-V595 HydrophobicContact CG1-CG1 4.04Å; I513-V595 HydrophobicContact CG1-CG2 4.08Å
514	K	89.2	Confident	82.3	Confident	133 Å²	133	73.1 Å²	73.1	58%	0.578	34%	0.341	S	S	*	.	H	α-helix	trans	-57.5	-47.9	178.4	-80.2	-177.5	176.3	179.5	0	112.5	V510 E511 A512 T517 H518	V510-K514 PolarHBondContact O-N 3.16Å; V510-K514 VanDerWaalsContact O-N 3.13Å; E511-K514 PolarHBondContact O-N 3.01Å; A512-K514 VanDerWaalsContact C-N 3.34Å; A512-K514 PolarHBondContact O-N 3.45Å; K514-T517 PolarHBondContact O-N 3.29Å; K514-T517 PolarHBondContact O-OG1 3.25Å; K514-H518 VanDerWaalsContact O-CB 3.22Å; K514-H518 WeakPolarHBondContact O-CB 3.5Å; K514-H518 PolarHBondContact O-N 3.31Å
515	K	88.5	Confident	82.7	Confident	65 Å²	65	67.2 Å²	67.2	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-41.8	-178.6	-75.8	-169.9	-178.3	173.5	0	112.2	V449 L450 I454 I498 E511 A512 I513 A519	V449-K515 PolarHBondContact O-NZ 3.4Å; L450-K515 HydrophobicContact CB-CD 4.24Å; L450-K515 HydrophobicContact CD1-CD 3.68Å; I454-K515 HydrophobicContact CD1-CB 4.23Å; I498-K515 HydrophobicContact CD1-CB 4.46Å; I498-K515 HydrophobicContact CD1-CD 4.44Å; E511-K515 PolarHBondContact O-N 2.99Å; E511-K515 VanDerWaalsContact OE1-CE 3.24Å; E511-K515 WeakPolarHBondContact OE1-CE 3.41Å; E511-K515 IonicContact OE1-NZ 3.23Å; E511-K515 PolarHBondContact OE1-NZ 3.32Å; A512-K515 PolarHBondContact O-N 3.21Å; I513-K515 PolarHBondContact O-N 2.99Å; K515-A519 VanDerWaalsContact O-CB 3.25Å; K515-A519 WeakPolarHBondContact O-CB 3.4Å; K515-A519 PolarHBondContact O-N 2.88Å
516	V	90.6	Very high	82.4	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-48.7	175.9	172.5	0	0	0	0	110.7	I454 F456 L495 A512 I513 A519 R520 V595	I454-V516 HydrophobicContact CG2-CG2 4Å; F456-V516 HydrophobicContact CE1-CG1 4.36Å; L495-V516 HydrophobicContact CB-CG1 4.04Å; A512-V516 WeakPolarHBondContact O-CB 3.47Å; A512-V516 WeakPolarHBondContact O-CG2 3.17Å; A512-V516 PolarHBondContact O-N 3.07Å; I513-V516 PolarHBondContact O-N 3.39Å; V516-A519 PolarHBondContact O-N 2.94Å; V516-R520 VanDerWaalsContact O-CG 3.32Å; V516-R520 WeakPolarHBondContact O-CG 3.42Å; V516-R520 PolarHBondContact O-N 3.48Å; V516-V595 HydrophobicContact CB-CB 4.34Å; V516-V595 HydrophobicContact CB-CG2 4.1Å; V516-V595 HydrophobicContact CG1-CB 4.19Å; V516-V595 HydrophobicContact CG1-CG1 4.43Å; V516-V595 HydrophobicContact CG1-CG2 4.49Å; V516-V595 HydrophobicContact CG2-CB 4.34Å; V516-V595 HydrophobicContact CG2-CG2 3.81Å
517	T	88.6	Confident	81.9	Confident	49 Å²	49	75.2 Å²	75.2	30%	0.301	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-43.1	179.3	22.3	0	0	0	0	112.6	I513 K514 A519 R520 M521 M573	I513-T517 PolarHBondContact O-N 3.42Å; I513-T517 PolarHBondContact O-OG1 3.37Å; K514-T517 PolarHBondContact O-N 3.29Å; K514-T517 PolarHBondContact O-OG1 3.25Å; T517-A519 PolarHBondContact O-N 2.76Å; T517-R520 PolarHBondContact O-N 3.36Å; T517-M521 PolarHBondContact O-N 3.06Å; T517-M573 HydrophobicContact CG2-CE 3.81Å; T517-M573 HydrophobicContact CG2-SD 4.17Å
518	H	86.6	Confident	81.9	Confident	121 Å²	121	71.4 Å²	71.4	56%	0.56	34%	0.337	S	S	*	.	H	α-helix	trans	-61.6	-45.5	178.1	-169.9	87.1	0	0	0	111.5	K514 R520 M521 Q522	K514-H518 VanDerWaalsContact O-CB 3.22Å; K514-H518 WeakPolarHBondContact O-CB 3.5Å; K514-H518 PolarHBondContact O-N 3.31Å; H518-R520 PolarHBondContact O-N 3.05Å; H518-M521 PolarHBondContact O-N 3.47Å; H518-Q522 WeakPolarHBondContact O-CB 3.37Å; H518-Q522 PolarHBondContact O-N 3.46Å
519	A	82	Confident	82	Confident	10 Å²	10	72.7 Å²	72.7	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-38.8	178	0	0	0	0	0	112.1	I454 F456 K515 V516 T517 M521 Q522 Y523	I454-A519 HydrophobicContact CD1-CB 3.62Å; F456-A519 HydrophobicContact CZ-CB 3.69Å; K515-A519 VanDerWaalsContact O-CB 3.25Å; K515-A519 WeakPolarHBondContact O-CB 3.4Å; K515-A519 PolarHBondContact O-N 2.88Å; V516-A519 PolarHBondContact O-N 2.94Å; T517-A519 PolarHBondContact O-N 2.76Å; A519-M521 VanDerWaalsContact C-N 3.32Å; A519-M521 PolarHBondContact O-N 2.84Å; A519-Q522 PolarHBondContact O-N 2.76Å; A519-Y523 HydrophobicContact CB-CD2 4.22Å; A519-Y523 HydrophobicContact CB-CE2 4.36Å; A519-Y523 WeakPolarHBondContact O-CB 3.31Å; A519-Y523 WeakPolarHBondContact O-CD2 3.31Å; A519-Y523 PolarHBondContact O-N 3.02Å
520	R	86.7	Confident	82.1	Confident	26 Å²	26	75.2 Å²	75.2	10%	0.098	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-39.4	173.8	-68.3	-176.3	76.3	86.8	11.2	112.4	F456 L495 V516 T517 H518 N524 I525 R527	F456-R520 HydrophobicContact CD1-CG 3.94Å; F456-R520 HydrophobicContact CE1-CG 3.49Å; F456-R520 VanDerWaalsContact CE1-CG 3.49Å; F456-R520 HydrophobicContact CZ-CG 4.37Å; L495-R520 WeakPolarHBondContact O-CD 3.21Å; L495-R520 PolarHBondContact O-NH1 3.45Å; V516-R520 VanDerWaalsContact O-CG 3.32Å; V516-R520 WeakPolarHBondContact O-CG 3.42Å; V516-R520 PolarHBondContact O-N 3.48Å; T517-R520 PolarHBondContact O-N 3.36Å; H518-R520 PolarHBondContact O-N 3.05Å; R520-N524 CarbonylContact O-C 3.59Å; R520-N524 WeakPolarHBondContact O-CA 3.36Å; R520-N524 PolarHBondContact O-N 3.4Å; R520-N524 VanDerWaalsContact O-N 3.07Å; R520-I525 HydrophobicContact CB-CB 4.32Å; R520-I525 HydrophobicContact CG-CB 4.26Å; R520-I525 PolarHBondContact NE-O 3.25Å; R520-I525 PolarHBondContact NH2-O 2.69Å; R520-I525 PolarHBondContact O-N 3.01Å; R520-R527 PolarHBondContact NH1-O 3.09Å; R520-R527 VanDerWaalsContact NH2-C 3.28Å; R520-R527 PolarHBondContact NH2-O 3.32Å
521	M	79.9	Confident	82.4	Confident	159 Å²	159	73 Å²	73	78%	0.783	35%	0.345	S	S	*	.	H	α-helix	trans	-66.3	-51.8	174.4	-95.1	-178.8	161.8	0	0	111.7	T517 H518 A519 Y523 N524	T517-M521 PolarHBondContact O-N 3.06Å; H518-M521 PolarHBondContact O-N 3.47Å; A519-M521 VanDerWaalsContact C-N 3.32Å; A519-M521 PolarHBondContact O-N 2.84Å; M521-Y523 VanDerWaalsContact C-N 3.34Å; M521-Y523 PolarHBondContact O-N 2.72Å; M521-N524 PolarHBondContact O-N 2.84Å
522	Q	71.8	Confident	82.8	Confident	120 Å²	120	71.5 Å²	71.5	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-61.8	-41.4	-175	-175.2	179.5	1.2	0	0	112.3	H518 A519	H518-Q522 WeakPolarHBondContact O-CB 3.37Å; H518-Q522 PolarHBondContact O-N 3.46Å; A519-Q522 PolarHBondContact O-N 2.76Å
523	Y	68	Low	83.1	Confident	154 Å²	154	71.6 Å²	71.6	60%	0.604	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	10.2	-179.4	-57.9	-68.3	0	0	0	113.3	A519 M521 I525	A519-Y523 HydrophobicContact CB-CD2 4.22Å; A519-Y523 HydrophobicContact CB-CE2 4.36Å; A519-Y523 WeakPolarHBondContact O-CB 3.31Å; A519-Y523 WeakPolarHBondContact O-CD2 3.31Å; A519-Y523 PolarHBondContact O-N 3.02Å; M521-Y523 VanDerWaalsContact C-N 3.34Å; M521-Y523 PolarHBondContact O-N 2.72Å; Y523-I525 VanDerWaalsContact C-N 3.28Å; Y523-I525 PolarHBondContact O-N 3.37Å
524	N	69.2	Low	83.3	Confident	125 Å²	125	72.1 Å²	72.1	67%	0.668	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	43.2	176.2	-137.2	2.7	0	0	0	113.4	R520 M521 I526	R520-N524 CarbonylContact O-C 3.59Å; R520-N524 WeakPolarHBondContact O-CA 3.36Å; R520-N524 PolarHBondContact O-N 3.4Å; R520-N524 VanDerWaalsContact O-N 3.07Å; M521-N524 PolarHBondContact O-N 2.84Å; N524-I526 PolarHBondContact O-N 3.41Å; N524-I526 VanDerWaalsContact O-N 3.16Å
525	I	71.7	Confident	83.5	Confident	45 Å²	45	65.8 Å²	65.8	23%	0.231	31%	0.314	C	S	.	.			trans	-83.6	94.6	-176.5	-53.2	178.3	0	0	0	108.9	F456 R520 Y523	F456-I525 HydrophobicContact CD1-CD1 4.03Å; F456-I525 HydrophobicContact CD2-CD1 3.37Å; F456-I525 HydrophobicContact CE1-CD1 4Å; F456-I525 HydrophobicContact CE2-CD1 3.31Å; F456-I525 HydrophobicContact CG-CD1 3.74Å; F456-I525 HydrophobicContact CG-CG2 4.43Å; F456-I525 HydrophobicContact CZ-CD1 3.64Å; R520-I525 HydrophobicContact CB-CB 4.32Å; R520-I525 HydrophobicContact CG-CB 4.26Å; R520-I525 PolarHBondContact NE-O 3.25Å; R520-I525 PolarHBondContact NH2-O 2.69Å; R520-I525 PolarHBondContact O-N 3.01Å; Y523-I525 VanDerWaalsContact C-N 3.28Å; Y523-I525 PolarHBondContact O-N 3.37Å
526	I	70.7	Confident	83.7	Confident	148 Å²	148	62.9 Å²	62.9	76%	0.759	30%	0.302	S	S	*	.			trans	-84.3	-34.1	-178.1	-48.3	173.1	0	0	0	111.4	N524 A528	N524-I526 PolarHBondContact O-N 3.41Å; N524-I526 VanDerWaalsContact O-N 3.16Å; I526-A528 PolarHBondContact O-N 3.25Å
527	R	70.7	Confident	83.6	Confident	219 Å²	219	65.9 Å²	65.9	83%	0.826	32%	0.315	S	S	*	.			trans	-70.3	122.9	-177.9	-85.5	-173.7	-79.2	-169.4	-3.5	111.4	R520	R520-R527 PolarHBondContact NH1-O 3.09Å; R520-R527 VanDerWaalsContact NH2-C 3.28Å; R520-R527 PolarHBondContact NH2-O 3.32Å
528	A	82.2	Confident	83.4	Confident	24 Å²	24	67.4 Å²	67.4	20%	0.198	32%	0.324	C	S	.	.			trans	-128	146	172.1	0	0	0	0	0	107.8	K493 L495 I526	K493-A528 HydrophobicContact CB-CB 4.42Å; K493-A528 HydrophobicContact CD-CB 4.05Å; K493-A528 HydrophobicContact CG-CB 4.35Å; L495-A528 HydrophobicContact CD2-CB 4.32Å; I526-A528 PolarHBondContact O-N 3.25Å
529	V	84.7	Confident	83.4	Confident	31 Å²	31	64.5 Å²	64.5	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.5	-177.6	-175.8	0	0	0	0	108.5	K493 F494 L531	K493-V529 CarbonylContact C-O 3.5Å; K493-V529 WeakPolarHBondContact CA-O 3.36Å; F494-V529 HydrophobicContact CB-CB 4.47Å; F494-V529 PolarHBondContact N-O 3.45Å; V529-L531 HydrophobicContact CG1-CD2 3.89Å; V529-L531 HydrophobicContact CG1-CG 4.17Å
530	D	90.4	Very high	83.8	Confident	53 Å²	53	66.3 Å²	66.3	28%	0.283	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.6	171.7	-81.6	-63	0	0	0	109.6	K493 K547	K493-D530 WeakPolarHBondContact CE-OD1 3.44Å; K493-D530 VanDerWaalsContact CE-OD2 3.27Å; K493-D530 WeakPolarHBondContact CE-OD2 3.49Å; K493-D530 WeakPolarHBondContact CG-OD1 3.36Å; K493-D530 IonicContact NZ-OD2 2.94Å; D530-K547 HydrophobicContact CB-CB 4Å; D530-K547 HydrophobicContact CB-CD 4.18Å; D530-K547 WeakPolarHBondContact O-CB 3.38Å; D530-K547 PolarHBondContact O-N 2.91Å
531	L	92.6	Very high	84.1	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153	-175.1	-63.6	167.7	0	0	0	111.6	M458 T492 F494 V529 L544 L545 K553 L596	M458-L531 HydrophobicContact CE-CD1 3.41Å; M458-L531 VanDerWaalsContact CE-CD1 3.41Å; M458-L531 HydrophobicContact CE-CD2 3.64Å; M458-L531 HydrophobicContact CE-CG 4.19Å; M458-L531 HydrophobicContact SD-CD1 4.14Å; T492-L531 PolarHBondContact N-O 2.9Å; T492-L531 PolarHBondContact O-N 3.5Å; F494-L531 HydrophobicContact CB-CD1 3.4Å; F494-L531 VanDerWaalsContact CB-CD1 3.4Å; F494-L531 HydrophobicContact CB-CG 4.4Å; F494-L531 HydrophobicContact CG-CD1 4.42Å; V529-L531 HydrophobicContact CG1-CD2 3.89Å; V529-L531 HydrophobicContact CG1-CG 4.17Å; L531-L544 HydrophobicContact CD1-CB 4.29Å; L531-L544 HydrophobicContact CD1-CD1 4.39Å; L531-L545 CarbonylContact C-O 3.54Å; L531-L545 WeakPolarHBondContact CA-O 3.41Å; L531-L545 WeakPolarHBondContact CD2-O 3.36Å; L531-K553 HydrophobicContact CD2-CB 4.35Å; L531-K553 HydrophobicContact CD2-CG 4.05Å; L531-L596 HydrophobicContact CD1-CD2 4.45Å
532	D	94.2	Very high	84.9	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.102	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.2	156.7	-78.1	-24.9	0	0	0	109.4	R489 F490 S491 I534 L545	R489-D532 IonicContact CZ-OD2 2.81Å; R489-D532 VanDerWaalsContact CZ-OD2 3.3Å; R489-D532 IonicContact NE-OD2 3.19Å; R489-D532 PolarHBondContact NE-OD2 3.21Å; R489-D532 VanDerWaalsContact NE-OD2 3.08Å; R489-D532 IonicContact NH2-OD2 2.63Å; R489-D532 PolarHBondContact NH2-OD2 3.3Å; F490-D532 CarbonylContact O-C 3.54Å; F490-D532 WeakPolarHBondContact O-CA 3.25Å; S491-D532 PolarHBondContact OG-OD1 3.28Å; D532-I534 HydrophobicContact CB-CG1 4.46Å; D532-L545 PolarHBondContact N-O 3.33Å; D532-L545 PolarHBondContact O-N 2.97Å
533	L	95.5	Very high	85.9	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.5	171.4	-173.6	153.4	0	0	0	108.4	R489 F490 T492 I535 L542 R543 L544 F574 L576	R489-L533 CarbonylContact C-O 3.59Å; R489-L533 WeakPolarHBondContact CA-O 3.37Å; F490-L533 HydrophobicContact CD2-CD2 3.85Å; F490-L533 PolarHBondContact N-O 3.5Å; F490-L533 PolarHBondContact O-N 3.37Å; T492-L533 HydrophobicContact CG2-CB 3.93Å; T492-L533 HydrophobicContact CG2-CD1 4.48Å; L533-I535 HydrophobicContact CD2-CD1 4.3Å; L533-I535 HydrophobicContact CD2-CG1 3.89Å; L533-L542 HydrophobicContact CD1-CD1 4.19Å; L533-L542 HydrophobicContact CD1-CD2 4.49Å; L533-L542 HydrophobicContact CD2-CD1 3.91Å; L533-L542 HydrophobicContact CD2-CG 4.25Å; L533-L542 HydrophobicContact CG-CD1 4.14Å; L533-L542 HydrophobicContact CG-CD2 4.3Å; L533-L542 HydrophobicContact CG-CG 4.22Å; L533-R543 WeakPolarHBondContact CA-O 3.46Å; L533-L544 HydrophobicContact CB-CD2 3.85Å; L533-L544 HydrophobicContact CD1-CD2 3.82Å; L533-L544 HydrophobicContact CG-CD2 3.79Å; L533-F574 HydrophobicContact CD1-CE2 4.03Å; L533-F574 HydrophobicContact CD1-CZ 3.97Å; L533-L576 HydrophobicContact CD1-CD1 4.22Å
534	I	95	Very high	87.1	Confident	12 Å²	12	49.4 Å²	49.4	6%	0.062	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126	-177.3	-51.2	-177.5	0	0	0	108.7	I486 R489 D532 L536 L542 R543 L545	I486-I534 HydrophobicContact CD1-CG2 4.48Å; I486-I534 HydrophobicContact CG1-CG2 4.26Å; I486-I534 HydrophobicContact CG2-CG2 3.97Å; R489-I534 HydrophobicContact CG-CG1 4.06Å; D532-I534 HydrophobicContact CB-CG1 4.46Å; I534-L536 HydrophobicContact CG2-CD2 3.75Å; I534-L536 HydrophobicContact CG2-CG 4.39Å; I534-L542 CarbonylContact O-C 3.43Å; I534-L542 WeakPolarHBondContact O-CA 3.34Å; I534-R543 PolarHBondContact N-O 3.29Å; I534-R543 PolarHBondContact O-N 3.49Å; I534-L545 HydrophobicContact CD1-CD1 3.72Å; I534-L545 HydrophobicContact CD1-CD2 4.17Å; I534-L545 HydrophobicContact CD1-CG 4.5Å; I534-L545 HydrophobicContact CG1-CD1 4.18Å
535	I	95	Very high	88.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.6	172.7	-53.6	171.4	0	0	0	107.6	F487 A488 F490 L533 L542 L558 V610 L611 A614	F487-I535 WeakPolarHBondContact CA-O 3.12Å; F487-I535 HydrophobicContact CB-CB 4.19Å; F487-I535 HydrophobicContact CB-CG2 3.95Å; F487-I535 WeakPolarHBondContact CB-O 3.22Å; F487-I535 HydrophobicContact CG-CG2 4.45Å; F487-I535 PolarHBondContact N-O 3.28Å; A488-I535 HydrophobicContact CB-CD1 4.49Å; A488-I535 PolarHBondContact N-O 3.15Å; A488-I535 PolarHBondContact O-N 3.41Å; F490-I535 HydrophobicContact CE2-CD1 4.02Å; L533-I535 HydrophobicContact CD2-CD1 4.3Å; L533-I535 HydrophobicContact CD2-CG1 3.89Å; I535-L542 HydrophobicContact CG1-CD1 4.45Å; I535-L558 HydrophobicContact CG2-CD1 4.15Å; I535-L558 HydrophobicContact CG2-CD2 4.37Å; I535-V610 HydrophobicContact CD1-CG1 4.43Å; I535-L611 HydrophobicContact CD1-CB 4.24Å; I535-L611 HydrophobicContact CD1-CD1 3.55Å; I535-L611 HydrophobicContact CG1-CD1 4.04Å; I535-A614 HydrophobicContact CG2-CB 3.68Å
536	L	92.4	Very high	89	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.9	-178.4	-59.7	180	0	0	0	110.4	V484 I486 I534 P539 P540 E541 R543	V484-L536 HydrophobicContact CG1-CD1 3.83Å; V484-L536 HydrophobicContact CG1-CD2 3.3Å; V484-L536 HydrophobicContact CG1-CG 4.12Å; I486-L536 HydrophobicContact CG1-CD2 3.87Å; I534-L536 HydrophobicContact CG2-CD2 3.75Å; I534-L536 HydrophobicContact CG2-CG 4.39Å; L536-P539 WeakPolarHBondContact CB-O 3.21Å; L536-P540 WeakPolarHBondContact O-CA 3.27Å; L536-E541 HydrophobicContact CD1-CB 4.44Å; L536-E541 PolarHBondContact N-O 3.02Å; L536-E541 PolarHBondContact O-N 3.4Å; L536-R543 HydrophobicContact CD1-CG 4.29Å
537	K	88.2	Confident	89.6	Confident	62 Å²	62	40.4 Å²	40.4	27%	0.27	20%	0.2	S	C	.	.	S	Bend	trans	-80.8	-43.2	170.4	-78.9	-179.4	176.4	176.4	0	112	E485 F487 P539 P540 F617	E485-K537 HydrophobicContact CB-CB 3.95Å; E485-K537 HydrophobicContact CB-CD 4.14Å; E485-K537 HydrophobicContact CB-CG 4.49Å; E485-K537 PolarHBondContact O-N 3.22Å; E485-K537 WeakPolarHBondContact OE2-CD 3.41Å; E485-K537 IonicContact OE2-NZ 2.69Å; F487-K537 HydrophobicContact CB-CG 4.14Å; F487-K537 HydrophobicContact CD2-CD 4.29Å; F487-K537 HydrophobicContact CD2-CG 3.69Å; F487-K537 HydrophobicContact CG-CG 4.42Å; K537-P539 CarbonylContact O-C 3.6Å; K537-P540 WeakPolarHBondContact O-CA 3.48Å; K537-F617 HydrophobicContact CD-CE1 4.23Å; K537-F617 HydrophobicContact CG-CE1 4.42Å
538	T	84.8	Confident	90	Very high	81 Å²	81	37.1 Å²	37.1	50%	0.497	20%	0.198	S	C	.	.	S	Bend	trans	-142.6	109.7	-168.4	-11.6	0	0	0	0	110.1
539	P	86.3	Confident	89.9	Confident	60 Å²	60	39.5 Å²	39.5	39%	0.39	21%	0.213	S	C	.	.	S	Bend	cis	-62.3	152.2	-13.7	28.7	-35.3	0	0	0	112.3	L536 K537 E541	L536-P539 WeakPolarHBondContact CB-O 3.21Å; K537-P539 CarbonylContact O-C 3.6Å; P539-E541 HydrophobicContact CB-CG 4.13Å; P539-E541 VanDerWaalsContact CG-CD 3.48Å; P539-E541 HydrophobicContact CG-CG 4.04Å; P539-E541 WeakPolarHBondContact CG-OE1 3.41Å; P539-E541 PolarHBondContact O-N 3.27Å
540	P	90.3	Very high	89.7	Confident	48 Å²	48	41 Å²	41	31%	0.312	23%	0.225	S	C	.	.			trans	-72.1	93.1	-178.3	28	-33.3	0	0	0	111.3	L536 K537 L558 V618	L536-P540 WeakPolarHBondContact O-CA 3.27Å; K537-P540 WeakPolarHBondContact O-CA 3.48Å; P540-L558 HydrophobicContact CB-CB 4.41Å; P540-L558 HydrophobicContact CB-CD1 3.84Å; P540-L558 PolarHBondContact O-N 3.47Å; P540-V618 HydrophobicContact CB-CB 4.45Å; P540-V618 HydrophobicContact CB-CG1 4.05Å; P540-V618 HydrophobicContact CB-CG2 3.48Å; P540-V618 VanDerWaalsContact CB-CG2 3.48Å; P540-V618 HydrophobicContact CG-CG1 4.2Å; P540-V618 HydrophobicContact CG-CG2 4.42Å
541	E	93.7	Very high	89.3	Confident	41 Å²	41	40.4 Å²	40.4	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149	-171.6	-62.9	177.1	-175.6	0	0	111.6	L536 P539 R543 Y556	L536-E541 HydrophobicContact CD1-CB 4.44Å; L536-E541 PolarHBondContact N-O 3.02Å; L536-E541 PolarHBondContact O-N 3.4Å; P539-E541 HydrophobicContact CB-CG 4.13Å; P539-E541 VanDerWaalsContact CG-CD 3.48Å; P539-E541 HydrophobicContact CG-CG 4.04Å; P539-E541 WeakPolarHBondContact CG-OE1 3.41Å; P539-E541 PolarHBondContact O-N 3.27Å; E541-R543 IonicContact OE2-CZ 3.89Å; E541-R543 IonicContact OE2-NE 2.74Å; E541-R543 PolarHBondContact OE2-NE 3.43Å; E541-R543 IonicContact OE2-NH2 3.02Å; E541-R543 PolarHBondContact OE2-NH2 2.93Å; E541-Y556 CarbonylContact C-O 3.5Å; E541-Y556 VanDerWaalsContact CA-O 3.29Å; E541-Y556 WeakPolarHBondContact CA-O 3.27Å
542	L	95.2	Very high	89.1	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.4	163.3	-177.8	149.6	0	0	0	108.7	L533 I534 I535 L544 A555 Y556 I561 L576 L611	L533-L542 HydrophobicContact CD1-CD1 4.19Å; L533-L542 HydrophobicContact CD1-CD2 4.49Å; L533-L542 HydrophobicContact CD2-CD1 3.91Å; L533-L542 HydrophobicContact CD2-CG 4.25Å; L533-L542 HydrophobicContact CG-CD1 4.14Å; L533-L542 HydrophobicContact CG-CD2 4.3Å; L533-L542 HydrophobicContact CG-CG 4.22Å; I534-L542 CarbonylContact O-C 3.43Å; I534-L542 WeakPolarHBondContact O-CA 3.34Å; I535-L542 HydrophobicContact CG1-CD1 4.45Å; L542-L544 HydrophobicContact CD2-CD2 4.08Å; L542-L544 HydrophobicContact CD2-CG 4.1Å; L542-A555 CarbonylContact O-C 3.55Å; L542-A555 WeakPolarHBondContact O-CA 3.26Å; L542-Y556 HydrophobicContact CD2-CD2 4.13Å; L542-Y556 PolarHBondContact N-O 3.2Å; L542-Y556 PolarHBondContact O-N 3.14Å; L542-I561 HydrophobicContact CB-CD1 4.02Å; L542-I561 HydrophobicContact CD1-CD1 3.89Å; L542-L576 HydrophobicContact CD1-CD1 4.09Å; L542-L576 HydrophobicContact CD2-CD1 4.41Å; L542-L611 HydrophobicContact CD1-CD1 3.7Å
543	R	93.9	Very high	88.7	Confident	63 Å²	63	47.6 Å²	47.6	24%	0.238	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.3	176.3	-61.3	-171.8	-177.4	170.3	2.7	110.8	L533 I534 L536 E541 L545 A554 A555	L533-R543 WeakPolarHBondContact CA-O 3.46Å; I534-R543 PolarHBondContact N-O 3.29Å; I534-R543 PolarHBondContact O-N 3.49Å; L536-R543 HydrophobicContact CD1-CG 4.29Å; E541-R543 IonicContact OE2-CZ 3.89Å; E541-R543 IonicContact OE2-NE 2.74Å; E541-R543 PolarHBondContact OE2-NE 3.43Å; E541-R543 IonicContact OE2-NH2 3.02Å; E541-R543 PolarHBondContact OE2-NH2 2.93Å; R543-L545 HydrophobicContact CB-CD1 3.71Å; R543-A554 WeakPolarHBondContact CA-O 3.47Å; R543-A555 HydrophobicContact CG-CB 4.02Å
544	L	93.3	Very high	88.4	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.4	170.8	-61	177.5	0	0	0	108.1	M458 L531 L533 L542 K553 A554 Y556 L596	M458-L544 HydrophobicContact CE-CB 3.68Å; M458-L544 HydrophobicContact CE-CD1 3.71Å; M458-L544 HydrophobicContact CE-CG 4.34Å; M458-L544 HydrophobicContact SD-CD1 3.82Å; L531-L544 HydrophobicContact CD1-CB 4.29Å; L531-L544 HydrophobicContact CD1-CD1 4.39Å; L533-L544 HydrophobicContact CB-CD2 3.85Å; L533-L544 HydrophobicContact CD1-CD2 3.82Å; L533-L544 HydrophobicContact CG-CD2 3.79Å; L542-L544 HydrophobicContact CD2-CD2 4.08Å; L542-L544 HydrophobicContact CD2-CG 4.1Å; L544-K553 PolarHBondContact O-N 3.43Å; L544-A554 HydrophobicContact CB-CB 4.25Å; L544-A554 HydrophobicContact CD1-CB 4.18Å; L544-A554 HydrophobicContact CG-CB 4.47Å; L544-A554 PolarHBondContact N-O 3.05Å; L544-A554 PolarHBondContact O-N 2.9Å; L544-Y556 HydrophobicContact CD1-CE2 4.43Å; L544-L596 HydrophobicContact CD1-CD2 4.44Å; L544-L596 HydrophobicContact CD2-CD2 4.1Å
545	L	92.2	Very high	88.2	Confident	24 Å²	24	50 Å²	50	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.3	178.7	-76.1	76	0	0	0	109.8	L531 D532 I534 R543 K547 A551 I552	L531-L545 CarbonylContact C-O 3.54Å; L531-L545 WeakPolarHBondContact CA-O 3.41Å; L531-L545 WeakPolarHBondContact CD2-O 3.36Å; D532-L545 PolarHBondContact N-O 3.33Å; D532-L545 PolarHBondContact O-N 2.97Å; I534-L545 HydrophobicContact CD1-CD1 3.72Å; I534-L545 HydrophobicContact CD1-CD2 4.17Å; I534-L545 HydrophobicContact CD1-CG 4.5Å; I534-L545 HydrophobicContact CG1-CD1 4.18Å; R543-L545 HydrophobicContact CB-CD1 3.71Å; L545-K547 PolarHBondContact O-N 3.39Å; L545-A551 CarbonylContact C-O 3.54Å; L545-A551 VanDerWaalsContact CA-O 3.31Å; L545-A551 WeakPolarHBondContact CA-O 3.24Å; L545-I552 HydrophobicContact CD1-CG1 4.27Å; L545-I552 HydrophobicContact CD2-CG1 4.43Å; L545-I552 HydrophobicContact CG-CG1 4.02Å
546	D	88	Confident	88.1	Confident	22 Å²	22	51.1 Å²	51.1	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	127.5	167.7	-170.3	-67.4	0	0	0	110.1	D548 C549 S550 A551 K553	D546-D548 VanDerWaalsContact C-N 3.32Å; D546-D548 PolarHBondContact O-N 3.37Å; D546-D548 PolarHBondContact OD1-N 3.14Å; D546-C549 WeakPolarHBondContact CB-SG 3.35Å; D546-C549 PolarHBondContact OD1-N 3.09Å; D546-C549 PolarHBondContact OD1-SG 3.42Å; D546-S550 WeakPolarHBondContact O-CA 3.47Å; D546-S550 PolarHBondContact O-N 3.05Å; D546-A551 HydrophobicContact CB-CB 4.49Å; D546-A551 PolarHBondContact N-O 3.48Å; D546-K553 HydrophobicContact CB-CD 4.42Å; D546-K553 HydrophobicContact CB-CG 3.95Å; D546-K553 WeakPolarHBondContact OD2-CE 3.45Å; D546-K553 IonicContact OD2-NZ 3.74Å; D546-K553 PolarHBondContact OD2-NZ 3.33Å
547	K	84.1	Confident	88.1	Confident	83 Å²	83	55.9 Å²	55.9	36%	0.361	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-30.5	-172.4	-159.4	173.5	-165	166.9	0	113	S491 D530 L545	S491-K547 WeakPolarHBondContact OG-CE 3.38Å; S491-K547 PolarHBondContact OG-NZ 2.8Å; D530-K547 HydrophobicContact CB-CB 4Å; D530-K547 HydrophobicContact CB-CD 4.18Å; D530-K547 WeakPolarHBondContact O-CB 3.38Å; D530-K547 PolarHBondContact O-N 2.91Å; L545-K547 PolarHBondContact O-N 3.39Å
548	D	77.4	Confident	88.2	Confident	149 Å²	149	53 Å²	53	80%	0.797	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-41.7	-174.4	-66.7	-31	0	0	0	111.3	D546	D546-D548 VanDerWaalsContact C-N 3.32Å; D546-D548 PolarHBondContact O-N 3.37Å; D546-D548 PolarHBondContact OD1-N 3.14Å
549	C	80.3	Confident	88.4	Confident	75 Å²	75	55.5 Å²	55.5	51%	0.507	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-3.3	-177.1	60.6	0	0	0	0	114.8	D546 A551	D546-C549 WeakPolarHBondContact CB-SG 3.35Å; D546-C549 PolarHBondContact OD1-N 3.09Å; D546-C549 PolarHBondContact OD1-SG 3.42Å; C549-A551 PolarHBondContact O-N 3.14Å; C549-A551 VanDerWaalsContact O-N 3.09Å; C549-A551 VanDerWaalsContact SG-CB 3.58Å
550	S	80.5	Confident	88.6	Confident	63 Å²	63	54 Å²	54	44%	0.441	29%	0.288	S	S	.	.			trans	56.2	19.2	-174.7	-60.6	0	0	0	0	114.2	D546	D546-S550 WeakPolarHBondContact O-CA 3.47Å; D546-S550 PolarHBondContact O-N 3.05Å
551	A	82.6	Confident	88.7	Confident	40 Å²	40	52.1 Å²	52.1	33%	0.331	28%	0.275	S	S	.	.			trans	-77	135.4	177.5	0	0	0	0	0	110.6	L545 D546 C549 K553	L545-A551 CarbonylContact C-O 3.54Å; L545-A551 VanDerWaalsContact CA-O 3.31Å; L545-A551 WeakPolarHBondContact CA-O 3.24Å; D546-A551 HydrophobicContact CB-CB 4.49Å; D546-A551 PolarHBondContact N-O 3.48Å; C549-A551 PolarHBondContact O-N 3.14Å; C549-A551 VanDerWaalsContact O-N 3.09Å; C549-A551 VanDerWaalsContact SG-CB 3.58Å; A551-K553 PolarHBondContact O-N 3.37Å
552	I	88	Confident	88.5	Confident	96 Å²	96	51.2 Å²	51.2	49%	0.492	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	113.6	174	-60.3	170.6	0	0	0	108.3	L545 A555	L545-I552 HydrophobicContact CD1-CG1 4.27Å; L545-I552 HydrophobicContact CD2-CG1 4.43Å; L545-I552 HydrophobicContact CG-CG1 4.02Å; I552-A555 HydrophobicContact CG2-CB 4.36Å
553	K	86.1	Confident	88.3	Confident	73 Å²	73	53.7 Å²	53.7	32%	0.317	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-32.8	178	-68.3	-76.2	-175.1	172.5	0	112.2	M458 F459 L531 L544 D546 A551	M458-K553 HydrophobicContact CE-CB 3.27Å; M458-K553 HydrophobicContact CE-CG 4.11Å; F459-K553 VanDerWaalsContact CD2-O 3.3Å; F459-K553 WeakPolarHBondContact CD2-O 3.47Å; L531-K553 HydrophobicContact CD2-CB 4.35Å; L531-K553 HydrophobicContact CD2-CG 4.05Å; L544-K553 PolarHBondContact O-N 3.43Å; D546-K553 HydrophobicContact CB-CD 4.42Å; D546-K553 HydrophobicContact CB-CG 3.95Å; D546-K553 WeakPolarHBondContact OD2-CE 3.45Å; D546-K553 IonicContact OD2-NZ 3.74Å; D546-K553 PolarHBondContact OD2-NZ 3.33Å; A551-K553 PolarHBondContact O-N 3.37Å
554	A	89.1	Confident	88.3	Confident	10 Å²	10	54 Å²	54	8%	0.083	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	149.6	174.8	0	0	0	0	0	110.9	M458 F459 R543 L544 Y556	M458-A554 HydrophobicContact CE-CB 4.47Å; F459-A554 HydrophobicContact CE2-CB 4.15Å; R543-A554 WeakPolarHBondContact CA-O 3.47Å; L544-A554 HydrophobicContact CB-CB 4.25Å; L544-A554 HydrophobicContact CD1-CB 4.18Å; L544-A554 HydrophobicContact CG-CB 4.47Å; L544-A554 PolarHBondContact N-O 3.05Å; L544-A554 PolarHBondContact O-N 2.9Å; A554-Y556 HydrophobicContact CB-CE2 3.61Å
555	A	91.7	Very high	88.3	Confident	54 Å²	54	55.2 Å²	55.2	45%	0.446	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.9	171.8	0	0	0	0	0	109.1	L542 R543 I552	L542-A555 CarbonylContact O-C 3.55Å; L542-A555 WeakPolarHBondContact O-CA 3.26Å; R543-A555 HydrophobicContact CG-CB 4.02Å; I552-A555 HydrophobicContact CG2-CB 4.36Å
556	Y	92.9	Very high	88.4	Confident	24 Å²	24	55 Å²	55	9%	0.094	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.3	-179.8	-53.9	-71.5	0	0	0	109	E541 L542 L544 A554 I578 H594	E541-Y556 CarbonylContact C-O 3.5Å; E541-Y556 VanDerWaalsContact CA-O 3.29Å; E541-Y556 WeakPolarHBondContact CA-O 3.27Å; L542-Y556 HydrophobicContact CD2-CD2 4.13Å; L542-Y556 PolarHBondContact N-O 3.2Å; L542-Y556 PolarHBondContact O-N 3.14Å; L544-Y556 HydrophobicContact CD1-CE2 4.43Å; A554-Y556 HydrophobicContact CB-CE2 3.61Å; Y556-I578 HydrophobicContact CD1-CB 4.49Å; Y556-I578 HydrophobicContact CD1-CD1 4.22Å; Y556-I578 HydrophobicContact CD1-CG1 4.21Å; Y556-I578 HydrophobicContact CD1-CG2 3.55Å; Y556-I578 HydrophobicContact CD2-CD1 3.97Å; Y556-I578 HydrophobicContact CD2-CG1 4.35Å; Y556-I578 HydrophobicContact CE1-CB 4.48Å; Y556-I578 HydrophobicContact CE1-CG1 4.2Å; Y556-I578 HydrophobicContact CE1-CG2 3.81Å; Y556-I578 HydrophobicContact CE2-CD1 4.43Å; Y556-I578 HydrophobicContact CE2-CG1 4.36Å; Y556-I578 HydrophobicContact CG-CD1 3.85Å; Y556-I578 HydrophobicContact CG-CG1 4.27Å; Y556-I578 HydrophobicContact CG-CG2 4.22Å; Y556-H594 AromaticContact CZ-NE2 3.58Å; Y556-H594 PolarHBondContact OH-CE1 3.49Å; Y556-H594 PolarHBondContact OH-NE2 3.01Å
557	R	91.5	Very high	88.6	Confident	104 Å²	104	56 Å²	56	39%	0.392	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	142.6	170.2	-58.4	176.2	-64.3	148.6	17.6	107.8	E559 D560	R557-E559 HydrophobicContact CB-CG 3.87Å; R557-E559 IonicContact CZ-OE1 3.98Å; R557-E559 IonicContact NE-OE1 3.97Å; R557-E559 IonicContact NH1-OE1 3.69Å; R557-E559 PolarHBondContact NH1-OE1 3.26Å; R557-E559 IonicContact NH2-OE1 3.92Å; R557-E559 PolarHBondContact NH2-OE1 3.09Å; R557-E559 PolarHBondContact O-N 2.92Å; R557-E559 VanDerWaalsContact O-N 3.15Å; R557-D560 IonicContact CZ-OD1 3.9Å; R557-D560 IonicContact CZ-OD2 3.18Å; R557-D560 VanDerWaalsContact CZ-OD2 3.31Å; R557-D560 IonicContact NE-OD2 3.68Å; R557-D560 PolarHBondContact NE-OD2 2.92Å; R557-D560 VanDerWaalsContact NH2-CG 3.31Å; R557-D560 IonicContact NH2-OD1 3.04Å; R557-D560 PolarHBondContact NH2-OD1 3.27Å; R557-D560 IonicContact NH2-OD2 2.85Å; R557-D560 PolarHBondContact NH2-OD2 3.1Å; R557-D560 PolarHBondContact O-N 2.8Å
558	L	91	Very high	88.7	Confident	2 Å²	2	60 Å²	60	1%	0.01	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-56.5	-33.9	-179.8	-86.6	158.9	0	0	0	111.4	I535 P540 D560 I561 L611 M615 V618	I535-L558 HydrophobicContact CG2-CD1 4.15Å; I535-L558 HydrophobicContact CG2-CD2 4.37Å; P540-L558 HydrophobicContact CB-CB 4.41Å; P540-L558 HydrophobicContact CB-CD1 3.84Å; P540-L558 PolarHBondContact O-N 3.47Å; L558-D560 VanDerWaalsContact C-N 3.26Å; L558-D560 PolarHBondContact O-N 3.1Å; L558-I561 HydrophobicContact CD2-CD1 4.19Å; L558-I561 PolarHBondContact O-N 2.79Å; L558-L611 HydrophobicContact CD2-CD1 3.98Å; L558-M615 HydrophobicContact CD2-CG 4.33Å; L558-M615 WeakPolarHBondContact O-CE 3.42Å; L558-V618 HydrophobicContact CD1-CG2 3.94Å
559	E	88.7	Confident	89.1	Confident	133 Å²	133	59.4 Å²	59.4	62%	0.621	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-64.7	-22.2	175.4	61.8	172.4	-148.9	0	0	115.3	R557	R557-E559 HydrophobicContact CB-CG 3.87Å; R557-E559 IonicContact CZ-OE1 3.98Å; R557-E559 IonicContact NE-OE1 3.97Å; R557-E559 IonicContact NH1-OE1 3.69Å; R557-E559 PolarHBondContact NH1-OE1 3.26Å; R557-E559 IonicContact NH2-OE1 3.92Å; R557-E559 PolarHBondContact NH2-OE1 3.09Å; R557-E559 PolarHBondContact O-N 2.92Å; R557-E559 VanDerWaalsContact O-N 3.15Å
560	D	90.8	Very high	89.5	Confident	30 Å²	30	57.9 Å²	57.9	16%	0.16	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-86.4	-10	-179.3	-65	-37.9	0	0	0	111.8	R557 L558 A562 K579	R557-D560 IonicContact CZ-OD1 3.9Å; R557-D560 IonicContact CZ-OD2 3.18Å; R557-D560 VanDerWaalsContact CZ-OD2 3.31Å; R557-D560 IonicContact NE-OD2 3.68Å; R557-D560 PolarHBondContact NE-OD2 2.92Å; R557-D560 VanDerWaalsContact NH2-CG 3.31Å; R557-D560 IonicContact NH2-OD1 3.04Å; R557-D560 PolarHBondContact NH2-OD1 3.27Å; R557-D560 IonicContact NH2-OD2 2.85Å; R557-D560 PolarHBondContact NH2-OD2 3.1Å; R557-D560 PolarHBondContact O-N 2.8Å; L558-D560 VanDerWaalsContact C-N 3.26Å; L558-D560 PolarHBondContact O-N 3.1Å; D560-A562 PolarHBondContact O-N 3.29Å; D560-K579 WeakPolarHBondContact O-CB 3.44Å; D560-K579 PolarHBondContact O-N 3.11Å
561	I	91.6	Very high	90.1	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	102.3	174.8	-49.9	-179.1	0	0	0	108.6	L542 L558 W564 L577 I578 L611 M615	L542-I561 HydrophobicContact CB-CD1 4.02Å; L542-I561 HydrophobicContact CD1-CD1 3.89Å; L558-I561 HydrophobicContact CD2-CD1 4.19Å; L558-I561 PolarHBondContact O-N 2.79Å; I561-W564 HydrophobicContact CG2-CE3 4.07Å; I561-L577 CarbonylContact C-O 3.16Å; I561-I578 HydrophobicContact CB-CD1 4.26Å; I561-I578 HydrophobicContact CG1-CD1 3.7Å; I561-I578 HydrophobicContact CG2-CD1 4.35Å; I561-L611 HydrophobicContact CD1-CD1 4.26Å; I561-L611 HydrophobicContact CD1-CD2 4.47Å; I561-M615 HydrophobicContact CB-CE 3.56Å; I561-M615 HydrophobicContact CG1-CE 4.41Å; I561-M615 HydrophobicContact CG2-CE 4.11Å; I561-M615 WeakPolarHBondContact O-CE 3.38Å
562	A	89.3	Confident	90.6	Very high	23 Å²	23	62.4 Å²	62.4	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-31.8	-175.3	0	0	0	0	0	113.5	K505 D560 L577 K579 F591	K505-A562 PolarHBondContact NZ-O 3.19Å; D560-A562 PolarHBondContact O-N 3.29Å; A562-L577 HydrophobicContact CB-CD2 4.3Å; A562-L577 HydrophobicContact CB-CG 4.43Å; A562-L577 PolarHBondContact N-O 2.89Å; A562-K579 HydrophobicContact CB-CB 4.41Å; A562-F591 HydrophobicContact CB-CD1 4.2Å; A562-F591 HydrophobicContact CB-CE1 3.98Å
563	Y	92.1	Very high	90.9	Very high	53 Å²	53	58.4 Å²	58.4	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	158.1	179.6	-167.1	-117.2	0	0	0	112.1	K505 E506 T509 T565 L577	K505-Y563 HydrophobicContact CB-CD1 3.8Å; K505-Y563 HydrophobicContact CB-CD2 3.54Å; K505-Y563 HydrophobicContact CB-CE1 4.1Å; K505-Y563 HydrophobicContact CB-CE2 3.83Å; K505-Y563 HydrophobicContact CB-CG 3.49Å; K505-Y563 VanDerWaalsContact CB-CG 3.49Å; K505-Y563 HydrophobicContact CD-CD2 3.61Å; K505-Y563 HydrophobicContact CD-CE2 4.31Å; K505-Y563 HydrophobicContact CD-CG 4.06Å; K505-Y563 HydrophobicContact CG-CD2 4.08Å; K505-Y563 HydrophobicContact CG-CG 4.13Å; K505-Y563 WeakPolarHBondContact O-CD1 3.16Å; K505-Y563 WeakPolarHBondContact O-CE1 3.16Å; E506-Y563 HydrophobicContact CB-CE1 4.32Å; T509-Y563 HydrophobicContact CG2-CD1 4Å; Y563-T565 HydrophobicContact CE1-CG2 4.18Å; Y563-L577 PolarHBondContact N-O 2.91Å; Y563-L577 PolarHBondContact O-N 3.18Å
564	W	93.4	Very high	91.3	Very high	68 Å²	68	55 Å²	55	26%	0.258	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.7	171	60.4	96.9	0	0	0	109.8	I561 A575 L576 C608 L611 M615	I561-W564 HydrophobicContact CG2-CE3 4.07Å; W564-A575 VanDerWaalsContact CA-O 3.24Å; W564-A575 WeakPolarHBondContact CA-O 3.39Å; W564-L576 HydrophobicContact CB-CD2 3.66Å; W564-C608 PolarHBondContact NE1-O 3.4Å; W564-L611 HydrophobicContact CB-CD2 3.93Å; W564-L611 HydrophobicContact CD2-CD2 3.92Å; W564-L611 HydrophobicContact CE3-CD2 4.37Å; W564-L611 HydrophobicContact CG-CD2 3.71Å; W564-M615 HydrophobicContact CE3-CE 4.16Å; W564-M615 HydrophobicContact CH2-CB 4.18Å; W564-M615 HydrophobicContact CH2-CE 4.16Å; W564-M615 HydrophobicContact CH2-CG 3.74Å; W564-M615 HydrophobicContact CH2-SD 4.26Å; W564-M615 HydrophobicContact CZ2-CG 4.44Å; W564-M615 HydrophobicContact CZ3-CE 3.51Å; W564-M615 HydrophobicContact CZ3-CG 4.04Å; W564-M615 HydrophobicContact CZ3-SD 4.17Å
565	T	93.9	Very high	91.6	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	148.9	177.7	-168	0	0	0	0	111.8	T509 Y563 F574 A575	T509-T565 HydrophobicContact CG2-CG2 4.31Å; T509-T565 WeakPolarHBondContact OG1-CG2 3.48Å; Y563-T565 HydrophobicContact CE1-CG2 4.18Å; T565-F574 CarbonylContact O-C 3.57Å; T565-F574 VanDerWaalsContact O-CA 3.25Å; T565-F574 WeakPolarHBondContact O-CA 3.19Å; T565-F574 VanDerWaalsContact O-CB 3.32Å; T565-F574 WeakPolarHBondContact O-CB 3.33Å; T565-A575 PolarHBondContact N-O 3.27Å; T565-A575 VanDerWaalsContact N-O 3.08Å; T565-A575 PolarHBondContact O-N 3.09Å
566	A	94	Very high	91.7	Very high	21 Å²	21	52.1 Å²	52.1	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	148	170.4	0	0	0	0	0	110.2	Q568 A604 E605	A566-Q568 PolarHBondContact O-N 3.22Å; A566-A604 HydrophobicContact CB-CB 3.82Å; A566-E605 HydrophobicContact CB-CB 4.36Å; A566-E605 HydrophobicContact CB-CG 4.2Å
567	H	91.8	Very high	91.7	Very high	42 Å²	42	51 Å²	51	19%	0.194	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.6	-180	-171.4	-99.4	0	0	0	111.1	I513 N569 N570 M573	I513-H567 HydrophobicContact CD1-CB 4.21Å; I513-H567 VanDerWaalsContact CG2-CD2 3.42Å; I513-H567 WeakPolarHBondContact CG2-CD2 3.48Å; H567-N569 PolarHBondContact ND1-N 3.08Å; H567-N569 PolarHBondContact O-N 3.19Å; H567-N569 VanDerWaalsContact O-N 3.1Å; H567-N570 HydrophobicContact CB-CB 4.31Å; H567-N570 WeakPolarHBondContact ND1-CB 3.18Å; H567-N570 PolarHBondContact ND1-N 2.93Å; H567-N570 VanDerWaalsContact ND1-N 3.11Å; H567-N570 CarbonylContact O-C 3.59Å; H567-N570 PolarHBondContact O-N 2.93Å; H567-N570 VanDerWaalsContact O-N 3.1Å; H567-N570 VanDerWaalsContact O-O 3.11Å; H567-M573 HydrophobicContact CB-CB 3.93Å; H567-M573 WeakPolarHBondContact CB-O 3.45Å; H567-M573 PolarHBondContact N-O 3.48Å
568	Q	86.4	Confident	91.7	Very high	167 Å²	167	46 Å²	46	78%	0.78	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	-173.3	-63.3	-178.7	2.6	0	0	114.2	A566	A566-Q568 PolarHBondContact O-N 3.22Å
569	N	85.4	Confident	91.5	Very high	136 Å²	136	49.2 Å²	49.2	73%	0.727	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	1.4	-177.6	-59.7	-14.6	0	0	0	113.2	H567	H567-N569 PolarHBondContact ND1-N 3.08Å; H567-N569 PolarHBondContact O-N 3.19Å; H567-N569 VanDerWaalsContact O-N 3.1Å
570	N	88.2	Confident	91.1	Very high	44 Å²	44	46.6 Å²	46.6	24%	0.235	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	102.3	177.4	-175.4	-23.3	0	0	0	109.6	H567 R572 M573	H567-N570 HydrophobicContact CB-CB 4.31Å; H567-N570 WeakPolarHBondContact ND1-CB 3.18Å; H567-N570 PolarHBondContact ND1-N 2.93Å; H567-N570 VanDerWaalsContact ND1-N 3.11Å; H567-N570 CarbonylContact O-C 3.59Å; H567-N570 PolarHBondContact O-N 2.93Å; H567-N570 VanDerWaalsContact O-N 3.1Å; H567-N570 VanDerWaalsContact O-O 3.11Å; N570-R572 PolarHBondContact O-N 3.33Å; N570-R572 PolarHBondContact OD1-N 3.39Å; N570-M573 HydrophobicContact CB-CB 4.04Å; N570-M573 HydrophobicContact CB-CE 4.13Å; N570-M573 WeakPolarHBondContact ND2-CE 3.34Å; N570-M573 PolarHBondContact O-N 3.04Å; N570-M573 PolarHBondContact OD1-N 3.3Å
571	E	93.1	Very high	90	Very high	143 Å²	143	52.4 Å²	52.4	67%	0.668	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	-15.2	-176.3	-50.7	175.1	-152.8	0	0	114.1	A604	E571-A604 WeakPolarHBondContact O-CB 3.43Å; E571-A604 PolarHBondContact O-N 3.37Å
572	R	93.1	Very high	88.2	Confident	55 Å²	55	54 Å²	54	21%	0.208	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-20.5	178.8	-60.6	-64.3	-170.9	166.3	6.1	113	F249 N570 E597 S598 G600 E602	F249-R572 HydrophobicContact CE1-CG 4.35Å; N570-R572 PolarHBondContact O-N 3.33Å; N570-R572 PolarHBondContact OD1-N 3.39Å; R572-E597 HydrophobicContact CB-CG 3.89Å; R572-E597 CarbonylContact O-C 3.48Å; R572-E597 WeakPolarHBondContact O-CA 3.46Å; R572-S598 PolarHBondContact O-N 3.4Å; R572-G600 PolarHBondContact NH1-O 2.93Å; R572-E602 PolarHBondContact NH1-O 3.43Å; R572-E602 VanDerWaalsContact NH1-O 3.12Å
573	M	93.8	Very high	85.9	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.8	-170.5	-149	-171.4	-48.3	0	0	111.9	L495 I513 T517 H567 N570 V595 L596 A604	L495-M573 HydrophobicContact CD1-CG 3.92Å; L495-M573 HydrophobicContact CD1-SD 3.98Å; I513-M573 HydrophobicContact CG2-SD 3.41Å; I513-M573 WeakPolarHBondContact CG2-SD 3.38Å; T517-M573 HydrophobicContact CG2-CE 3.81Å; T517-M573 HydrophobicContact CG2-SD 4.17Å; H567-M573 HydrophobicContact CB-CB 3.93Å; H567-M573 WeakPolarHBondContact CB-O 3.45Å; H567-M573 PolarHBondContact N-O 3.48Å; N570-M573 HydrophobicContact CB-CB 4.04Å; N570-M573 HydrophobicContact CB-CE 4.13Å; N570-M573 WeakPolarHBondContact ND2-CE 3.34Å; N570-M573 PolarHBondContact O-N 3.04Å; N570-M573 PolarHBondContact OD1-N 3.3Å; M573-V595 HydrophobicContact CG-CG1 4.21Å; M573-V595 HydrophobicContact SD-CG1 4.02Å; M573-L596 WeakPolarHBondContact CA-O 3.33Å; M573-L596 WeakPolarHBondContact CG-O 3.46Å; M573-A604 VanDerWaalsContact O-CB 3.23Å; M573-A604 WeakPolarHBondContact O-CB 3.41Å
574	F	95.6	Very high	83.6	Confident	1 Å²	1	71.6 Å²	71.6	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	164.2	176.6	64.9	-77.6	0	0	0	111	T492 L533 T565 L576 L596 A604 I607	T492-F574 HydrophobicContact CG2-CE1 4.12Å; T492-F574 HydrophobicContact CG2-CZ 3.93Å; L533-F574 HydrophobicContact CD1-CE2 4.03Å; L533-F574 HydrophobicContact CD1-CZ 3.97Å; T565-F574 CarbonylContact O-C 3.57Å; T565-F574 VanDerWaalsContact O-CA 3.25Å; T565-F574 WeakPolarHBondContact O-CA 3.19Å; T565-F574 VanDerWaalsContact O-CB 3.32Å; T565-F574 WeakPolarHBondContact O-CB 3.33Å; F574-L576 HydrophobicContact CD2-CD2 4.36Å; F574-L576 HydrophobicContact CD2-CG 4.34Å; F574-L576 HydrophobicContact CE2-CD1 4.33Å; F574-L576 HydrophobicContact CE2-CD2 4.4Å; F574-L576 HydrophobicContact CE2-CG 4.2Å; F574-L596 HydrophobicContact CD1-CB 4.26Å; F574-L596 HydrophobicContact CD2-CB 4.45Å; F574-L596 HydrophobicContact CE1-CB 3.68Å; F574-L596 HydrophobicContact CE2-CB 3.91Å; F574-L596 HydrophobicContact CE2-CD1 3.96Å; F574-L596 HydrophobicContact CE2-CG 4.42Å; F574-L596 HydrophobicContact CZ-CB 3.49Å; F574-L596 VanDerWaalsContact CZ-CB 3.49Å; F574-L596 HydrophobicContact CZ-CD1 4.3Å; F574-L596 HydrophobicContact CZ-CD2 4.37Å; F574-L596 HydrophobicContact CZ-CG 4.26Å; F574-L596 PolarHBondContact N-O 3.09Å; F574-L596 PolarHBondContact O-N 3.2Å; F574-L596 VanDerWaalsContact O-O 3.05Å; F574-A604 HydrophobicContact CB-CB 3.92Å; F574-A604 HydrophobicContact CD1-CB 4.2Å; F574-A604 HydrophobicContact CG-CB 4.48Å; F574-I607 HydrophobicContact CE1-CD1 4.09Å; F574-I607 HydrophobicContact CE2-CG2 4.28Å; F574-I607 HydrophobicContact CZ-CG2 4.21Å
575	A	95	Very high	81.3	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.6	178.2	0	0	0	0	0	111.7	T509 I513 W564 T565 H594	T509-A575 HydrophobicContact CG2-CB 3.98Å; I513-A575 HydrophobicContact CD1-CB 3.85Å; I513-A575 HydrophobicContact CG1-CB 3.88Å; W564-A575 VanDerWaalsContact CA-O 3.24Å; W564-A575 WeakPolarHBondContact CA-O 3.39Å; T565-A575 PolarHBondContact N-O 3.27Å; T565-A575 VanDerWaalsContact N-O 3.08Å; T565-A575 PolarHBondContact O-N 3.09Å; A575-H594 CarbonylContact C-O 3.57Å; A575-H594 VanDerWaalsContact CA-O 3.24Å; A575-H594 WeakPolarHBondContact CA-O 3.46Å
576	L	93.9	Very high	78.9	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.016	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.6	174.7	-59.2	175.9	0	0	0	108.6	L533 L542 W564 F574 C593 H594 L596 L611	L533-L576 HydrophobicContact CD1-CD1 4.22Å; L542-L576 HydrophobicContact CD1-CD1 4.09Å; L542-L576 HydrophobicContact CD2-CD1 4.41Å; W564-L576 HydrophobicContact CB-CD2 3.66Å; F574-L576 HydrophobicContact CD2-CD2 4.36Å; F574-L576 HydrophobicContact CD2-CG 4.34Å; F574-L576 HydrophobicContact CE2-CD1 4.33Å; F574-L576 HydrophobicContact CE2-CD2 4.4Å; F574-L576 HydrophobicContact CE2-CG 4.2Å; L576-C593 CarbonylContact O-C 3.55Å; L576-C593 WeakPolarHBondContact O-CA 3.21Å; L576-H594 PolarHBondContact N-O 3.33Å; L576-H594 PolarHBondContact O-N 3.29Å; L576-L596 HydrophobicContact CD1-CD1 3.92Å; L576-L596 HydrophobicContact CG-CD1 4.1Å; L576-L611 HydrophobicContact CD2-CD2 3.6Å
577	L	92.3	Very high	77	Confident	0 Å²	0	91.1 Å²	91.1	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.5	173	-169.5	71.5	0	0	0	108.6	V500 T509 I561 A562 Y563 F591 C593	V500-L577 HydrophobicContact CG2-CD1 3.51Å; T509-L577 HydrophobicContact CG2-CB 4.19Å; I561-L577 CarbonylContact C-O 3.16Å; A562-L577 HydrophobicContact CB-CD2 4.3Å; A562-L577 HydrophobicContact CB-CG 4.43Å; A562-L577 PolarHBondContact N-O 2.89Å; Y563-L577 PolarHBondContact N-O 2.91Å; Y563-L577 PolarHBondContact O-N 3.18Å; L577-F591 HydrophobicContact CD1-CB 4.09Å; L577-F591 HydrophobicContact CD2-CD1 4.39Å; L577-F591 HydrophobicContact CG-CB 4.44Å; L577-F591 HydrophobicContact CG-CD1 4.34Å; L577-C593 HydrophobicContact CD1-CB 3.89Å
578	I	91.4	Very high	75.3	Confident	1 Å²	1	99.6 Å²	99.6	1%	0.005	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.9	-179.8	-54.5	-64	0	0	0	109.3	Y556 I561 F591 T592	Y556-I578 HydrophobicContact CD1-CB 4.49Å; Y556-I578 HydrophobicContact CD1-CD1 4.22Å; Y556-I578 HydrophobicContact CD1-CG1 4.21Å; Y556-I578 HydrophobicContact CD1-CG2 3.55Å; Y556-I578 HydrophobicContact CD2-CD1 3.97Å; Y556-I578 HydrophobicContact CD2-CG1 4.35Å; Y556-I578 HydrophobicContact CE1-CB 4.48Å; Y556-I578 HydrophobicContact CE1-CG1 4.2Å; Y556-I578 HydrophobicContact CE1-CG2 3.81Å; Y556-I578 HydrophobicContact CE2-CD1 4.43Å; Y556-I578 HydrophobicContact CE2-CG1 4.36Å; Y556-I578 HydrophobicContact CG-CD1 3.85Å; Y556-I578 HydrophobicContact CG-CG1 4.27Å; Y556-I578 HydrophobicContact CG-CG2 4.22Å; I561-I578 HydrophobicContact CB-CD1 4.26Å; I561-I578 HydrophobicContact CG1-CD1 3.7Å; I561-I578 HydrophobicContact CG2-CD1 4.35Å; I578-F591 CarbonylContact O-C 3.44Å; I578-F591 VanDerWaalsContact O-CA 3.3Å; I578-F591 WeakPolarHBondContact O-CA 3.45Å; I578-T592 PolarHBondContact N-O 3.12Å; I578-T592 PolarHBondContact O-N 3.37Å
579	K	88.5	Confident	74.5	Confident	68 Å²	68	95.1 Å²	95.1	30%	0.296	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.4	169.2	-175.6	-179.9	-179.4	168.2	0	109.4	D560 A562 D589 F591	D560-K579 WeakPolarHBondContact O-CB 3.44Å; D560-K579 PolarHBondContact O-N 3.11Å; A562-K579 HydrophobicContact CB-CB 4.41Å; K579-D589 VanDerWaalsContact CE-OD1 3.22Å; K579-D589 WeakPolarHBondContact CE-OD1 3.41Å; K579-D589 WeakPolarHBondContact CE-OD2 3.29Å; K579-D589 HydrophobicContact CG-CB 4.38Å; K579-D589 VanDerWaalsContact NZ-CG 3.32Å; K579-D589 IonicContact NZ-OD1 2.81Å; K579-D589 IonicContact NZ-OD2 3.03Å; K579-D589 PolarHBondContact NZ-OD2 3.18Å; K579-F591 HydrophobicContact CB-CD1 4.12Å; K579-F591 HydrophobicContact CB-CE1 3.89Å; K579-F591 HydrophobicContact CD-CE1 4.34Å; K579-F591 HydrophobicContact CG-CD1 4.4Å; K579-F591 HydrophobicContact CG-CE1 3.89Å; K579-F591 HydrophobicContact CG-CZ 4.37Å
580	Q	80.5	Confident	74.2	Confident	79 Å²	79	91 Å²	91	37%	0.369	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.6	169.7	-77.6	177.3	-11.2	0	0	109.1	G582 S590	Q580-G582 PolarHBondContact O-N 3.1Å; Q580-S590 WeakPolarHBondContact CB-OG 3.33Å; Q580-S590 PolarHBondContact N-O 3.02Å; Q580-S590 PolarHBondContact O-N 3.01Å
581	K	67.2	Low	74.2	Confident	152 Å²	152	90 Å²	90	66%	0.661	42%	0.418	S	S	*	.			trans	-73.1	114.6	171.8	-82.3	177.9	177.5	167	0	108.4
582	G	54.4	Low	74	Confident	41 Å²	41	84 Å²	84	42%	0.423	39%	0.392	S	S	.	.			trans	-60.1	138	179.9	0	0	0	0	0	112.9	Q580 R584	Q580-G582 PolarHBondContact O-N 3.1Å; G582-R584 PolarHBondContact O-N 2.86Å
583	E	40.4	Very low	74	Confident	187 Å²	187	81.4 Å²	81.4	87%	0.874	38%	0.382	S	S	*	.			trans	-69.8	111.7	172.2	-78.3	-169.3	143.5	0	0	110.5	V585	E583-V585 PolarHBondContact O-N 3.49Å
584	R	42.8	Very low	74	Confident	258 Å²	258	81 Å²	81	97%	0.974	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	33.1	-9.2	157.9	-79.8	-175.5	174.7	177.2	-0	123.3	G582	G582-R584 PolarHBondContact O-N 2.86Å
585	V	46.4	Very low	73.9	Confident	137 Å²	137	81 Å²	81	83%	0.83	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-26.3	-175.2	-173.7	0	0	0	0	113.2	E583	E583-V585 PolarHBondContact O-N 3.49Å
586	E	43.2	Very low	74	Confident	163 Å²	163	81 Å²	81	76%	0.762	38%	0.38	S	S	*	.			trans	-125.8	114.7	172	-67.9	-169.3	165.6	0	0	111	R588	E586-R588 PolarHBondContact O-N 3.01Å
587	K	52.8	Low	74	Confident	224 Å²	224	81.9 Å²	81.9	97%	0.974	38%	0.384	S	S	*	.			trans	-69.5	19.1	-173.4	-99.3	-176.1	178.5	179.2	0	115.3
588	R	57.8	Low	74.2	Confident	221 Å²	221	81.9 Å²	81.9	83%	0.834	38%	0.384	S	S	*	.	S	Bend	trans	-104.4	125.9	177.9	-91.1	-178.3	172.8	160	-2.7	110.3	E586 S590	E586-R588 PolarHBondContact O-N 3.01Å; R588-S590 PolarHBondContact O-N 3.2Å
589	D	68.3	Low	74.2	Confident	72 Å²	72	83.5 Å²	83.5	39%	0.385	39%	0.394	S	S	.	.			trans	-56.2	126.3	168	-66.6	-42.8	0	0	0	108.9	K579 F591	K579-D589 VanDerWaalsContact CE-OD1 3.22Å; K579-D589 WeakPolarHBondContact CE-OD1 3.41Å; K579-D589 WeakPolarHBondContact CE-OD2 3.29Å; K579-D589 HydrophobicContact CG-CB 4.38Å; K579-D589 VanDerWaalsContact NZ-CG 3.32Å; K579-D589 IonicContact NZ-OD1 2.81Å; K579-D589 IonicContact NZ-OD2 3.03Å; K579-D589 PolarHBondContact NZ-OD2 3.18Å; D589-F591 HydrophobicContact CB-CE2 4.11Å; D589-F591 HydrophobicContact CB-CZ 4.21Å
590	S	80.2	Confident	74.2	Confident	50 Å²	50	81.1 Å²	81.1	35%	0.35	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.2	173.5	63.8	0	0	0	0	109.2	Q580 R588	Q580-S590 WeakPolarHBondContact CB-OG 3.33Å; Q580-S590 PolarHBondContact N-O 3.02Å; Q580-S590 PolarHBondContact O-N 3.01Å; R588-S590 PolarHBondContact O-N 3.2Å
591	F	87	Confident	74.5	Confident	22 Å²	22	84.8 Å²	84.8	10%	0.096	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.2	177.8	-62.5	-89.9	0	0	0	109.5	A499 V500 D503 A562 L577 I578 K579 D589	A499-F591 WeakPolarHBondContact CA-O 3.41Å; V500-F591 HydrophobicContact CG2-CB 3.83Å; V500-F591 WeakPolarHBondContact CG2-O 3.39Å; V500-F591 PolarHBondContact N-O 3.48Å; V500-F591 PolarHBondContact O-N 3.19Å; D503-F591 HydrophobicContact CB-CE1 4.34Å; D503-F591 HydrophobicContact CB-CE2 4.22Å; D503-F591 HydrophobicContact CB-CZ 3.86Å; A562-F591 HydrophobicContact CB-CD1 4.2Å; A562-F591 HydrophobicContact CB-CE1 3.98Å; L577-F591 HydrophobicContact CD1-CB 4.09Å; L577-F591 HydrophobicContact CD2-CD1 4.39Å; L577-F591 HydrophobicContact CG-CB 4.44Å; L577-F591 HydrophobicContact CG-CD1 4.34Å; I578-F591 CarbonylContact O-C 3.44Å; I578-F591 VanDerWaalsContact O-CA 3.3Å; I578-F591 WeakPolarHBondContact O-CA 3.45Å; K579-F591 HydrophobicContact CB-CD1 4.12Å; K579-F591 HydrophobicContact CB-CE1 3.89Å; K579-F591 HydrophobicContact CD-CE1 4.34Å; K579-F591 HydrophobicContact CG-CD1 4.4Å; K579-F591 HydrophobicContact CG-CE1 3.89Å; K579-F591 HydrophobicContact CG-CZ 4.37Å; D589-F591 HydrophobicContact CB-CE2 4.11Å; D589-F591 HydrophobicContact CB-CZ 4.21Å
592	T	89.7	Confident	75.7	Confident	19 Å²	19	80.5 Å²	80.5	12%	0.117	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.7	172.1	-57.1	0	0	0	0	108.5	I578	I578-T592 PolarHBondContact N-O 3.12Å; I578-T592 PolarHBondContact O-N 3.37Å
593	C	92.1	Very high	77.6	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.1	173.8	-172.2	0	0	0	0	109.2	S497 I498 V500 A512 L576 L577	S497-C593 CarbonylContact C-O 3.52Å; S497-C593 VanDerWaalsContact CA-O 3.29Å; S497-C593 WeakPolarHBondContact CA-O 3.25Å; I498-C593 HydrophobicContact CG2-CB 4.04Å; I498-C593 PolarHBondContact N-O 3.42Å; I498-C593 PolarHBondContact O-N 3.46Å; V500-C593 HydrophobicContact CG2-CB 4.11Å; A512-C593 HydrophobicContact CB-CB 3.87Å; A512-C593 VanDerWaalsContact CB-SG 3.53Å; L576-C593 CarbonylContact O-C 3.55Å; L576-C593 WeakPolarHBondContact O-CA 3.21Å; L577-C593 HydrophobicContact CD1-CB 3.89Å
594	H	93.7	Very high	80.3	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.019	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.6	171.8	-58.5	-65.8	0	0	0	109.3	F494 S497 Y556 A575 L576 L596	F494-H594 HydrophobicContact CE2-CB 4.37Å; F494-H594 AromaticContact CE2-ND1 3.94Å; S497-H594 PolarHBondContact OG-CE1 3.34Å; S497-H594 PolarHBondContact OG-ND1 3.39Å; Y556-H594 AromaticContact CZ-NE2 3.58Å; Y556-H594 PolarHBondContact OH-CE1 3.49Å; Y556-H594 PolarHBondContact OH-NE2 3.01Å; A575-H594 CarbonylContact C-O 3.57Å; A575-H594 VanDerWaalsContact CA-O 3.24Å; A575-H594 WeakPolarHBondContact CA-O 3.46Å; L576-H594 PolarHBondContact N-O 3.33Å; L576-H594 PolarHBondContact O-N 3.29Å; H594-L596 HydrophobicContact CB-CD1 3.95Å
595	V	94.8	Very high	82.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.6	176.2	-177.6	0	0	0	0	108.4	L495 G496 I513 V516 M573	L495-V595 HydrophobicContact CB-CB 4.44Å; L495-V595 HydrophobicContact CB-CG1 4.2Å; L495-V595 WeakPolarHBondContact CB-O 3.46Å; L495-V595 HydrophobicContact CD1-CG1 4.08Å; L495-V595 PolarHBondContact N-O 3.07Å; G496-V595 PolarHBondContact N-O 3.47Å; G496-V595 PolarHBondContact O-N 3.26Å; I513-V595 HydrophobicContact CG1-CG1 4.04Å; I513-V595 HydrophobicContact CG1-CG2 4.08Å; V516-V595 HydrophobicContact CB-CB 4.34Å; V516-V595 HydrophobicContact CB-CG2 4.1Å; V516-V595 HydrophobicContact CG1-CB 4.19Å; V516-V595 HydrophobicContact CG1-CG1 4.43Å; V516-V595 HydrophobicContact CG1-CG2 4.49Å; V516-V595 HydrophobicContact CG2-CB 4.34Å; V516-V595 HydrophobicContact CG2-CG2 3.81Å; M573-V595 HydrophobicContact CG-CG1 4.21Å; M573-V595 HydrophobicContact SD-CG1 4.02Å
596	L	95.8	Very high	85.1	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.6	-177.2	-60.5	103.4	0	0	0	111.1	K493 L531 L544 M573 F574 L576 H594	K493-L596 CarbonylContact O-C 3.5Å; K493-L596 WeakPolarHBondContact O-CA 3.43Å; L531-L596 HydrophobicContact CD1-CD2 4.45Å; L544-L596 HydrophobicContact CD1-CD2 4.44Å; L544-L596 HydrophobicContact CD2-CD2 4.1Å; M573-L596 WeakPolarHBondContact CA-O 3.33Å; M573-L596 WeakPolarHBondContact CG-O 3.46Å; F574-L596 HydrophobicContact CD1-CB 4.26Å; F574-L596 HydrophobicContact CD2-CB 4.45Å; F574-L596 HydrophobicContact CE1-CB 3.68Å; F574-L596 HydrophobicContact CE2-CB 3.91Å; F574-L596 HydrophobicContact CE2-CD1 3.96Å; F574-L596 HydrophobicContact CE2-CG 4.42Å; F574-L596 HydrophobicContact CZ-CB 3.49Å; F574-L596 VanDerWaalsContact CZ-CB 3.49Å; F574-L596 HydrophobicContact CZ-CD1 4.3Å; F574-L596 HydrophobicContact CZ-CD2 4.37Å; F574-L596 HydrophobicContact CZ-CG 4.26Å; F574-L596 PolarHBondContact N-O 3.09Å; F574-L596 PolarHBondContact O-N 3.2Å; F574-L596 VanDerWaalsContact O-O 3.05Å; L576-L596 HydrophobicContact CD1-CD1 3.92Å; L576-L596 HydrophobicContact CG-CD1 4.1Å; H594-L596 HydrophobicContact CB-CD1 3.95Å
597	E	94.9	Very high	87.6	Confident	22 Å²	22	57.3 Å²	57.3	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.5	175.5	-178.6	172.5	-138.6	0	0	109.8	F249 T492 K493 L495 R572 T599	F249-E597 WeakPolarHBondContact CE2-OE1 3.47Å; F249-E597 HydrophobicContact CZ-CG 4.49Å; F249-E597 WeakPolarHBondContact CZ-OE1 3.3Å; T492-E597 CarbonylContact C-O 3.58Å; T492-E597 WeakPolarHBondContact CA-O 3.4Å; T492-E597 WeakPolarHBondContact CB-O 3.44Å; K493-E597 HydrophobicContact CB-CB 4.39Å; K493-E597 PolarHBondContact N-O 3.45Å; K493-E597 PolarHBondContact O-N 3.27Å; L495-E597 HydrophobicContact CD1-CB 4Å; L495-E597 HydrophobicContact CD2-CB 4.44Å; L495-E597 HydrophobicContact CG-CB 4.22Å; R572-E597 HydrophobicContact CB-CG 3.89Å; R572-E597 CarbonylContact O-C 3.48Å; R572-E597 WeakPolarHBondContact O-CA 3.46Å; E597-T599 PolarHBondContact O-N 3.33Å
598	S	96	Very high	89.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.7	171.7	-178.8	0	0	0	0	110.1	R572 G600 E602	R572-S598 PolarHBondContact O-N 3.4Å; S598-G600 PolarHBondContact OG-N 3.02Å; S598-E602 WeakPolarHBondContact CB-O 3.5Å; S598-E602 PolarHBondContact OG-O 3.33Å
599	T	92.4	Very high	91.5	Very high	35 Å²	35	38.4 Å²	38.4	22%	0.215	21%	0.212	C	C	.	.			trans	-108.3	-2.8	170.8	58.8	0	0	0	0	112.3	S491 T492 K493 E597	S491-T599 VanDerWaalsContact C-OG1 3.27Å; S491-T599 PolarHBondContact O-N 3Å; S491-T599 PolarHBondContact O-OG1 2.88Å; T492-T599 PolarHBondContact N-OG1 3.34Å; K493-T599 HydrophobicContact CB-CG2 4.11Å; K493-T599 HydrophobicContact CD-CG2 3.89Å; K493-T599 HydrophobicContact CG-CG2 3.76Å; E597-T599 PolarHBondContact O-N 3.33Å
600	G	87.4	Confident	92.8	Very high	18 Å²	18	36.7 Å²	36.7	19%	0.186	20%	0.204	C	C	.	.	S	Bend	trans	-82	-161	178.4	0	0	0	0	0	114.2	S491 R572 S598	S491-G600 PolarHBondContact O-N 2.9Å; S491-G600 VanDerWaalsContact O-N 3.15Å; R572-G600 PolarHBondContact NH1-O 2.93Å; S598-G600 PolarHBondContact OG-N 3.02Å
601	I	88.2	Confident	93.4	Very high	156 Å²	156	34.5 Å²	34.5	80%	0.8	19%	0.189	S	C	*	.	S	Bend	trans	-80.2	-32.9	177.6	-51.6	172.8	0	0	0	109.2
602	E	91.7	Very high	93.7	Very high	61 Å²	61	34.3 Å²	34.3	29%	0.285	19%	0.193	S	C	.	.	S	Bend	trans	-73.7	142.9	-174.3	-52.7	86.3	167.9	0	0	111.9	F490 R572 S598 E606 I607	F490-E602 HydrophobicContact CD1-CB 4.21Å; F490-E602 HydrophobicContact CD1-CG 3.93Å; F490-E602 HydrophobicContact CE1-CB 4.34Å; F490-E602 HydrophobicContact CE1-CG 3.91Å; R572-E602 PolarHBondContact NH1-O 3.43Å; R572-E602 VanDerWaalsContact NH1-O 3.12Å; S598-E602 WeakPolarHBondContact CB-O 3.5Å; S598-E602 PolarHBondContact OG-O 3.33Å; E602-E606 VanDerWaalsContact CA-OE2 3.26Å; E602-E606 WeakPolarHBondContact CA-OE2 3.42Å; E602-E606 HydrophobicContact CB-CB 4.34Å; E602-I607 HydrophobicContact CB-CG1 4.12Å
603	T	94.9	Very high	93.9	Very high	38 Å²	38	39.2 Å²	39.2	23%	0.233	22%	0.215	C	C	.	.			trans	-76.5	160.1	170.6	60.4	0	0	0	0	110.8	E605 E606 I607	T603-E605 PolarHBondContact O-N 3.31Å; T603-E606 PolarHBondContact N-OE2 3.48Å; T603-E606 PolarHBondContact O-N 3.49Å; T603-E606 VanDerWaalsContact OG1-CG 3.25Å; T603-E606 WeakPolarHBondContact OG1-CG 3.33Å; T603-E606 PolarHBondContact OG1-N 3.41Å; T603-E606 PolarHBondContact OG1-OE2 3.04Å; T603-E606 VanDerWaalsContact OG1-OE2 3.05Å; T603-I607 WeakPolarHBondContact O-CG1 3.12Å; T603-I607 PolarHBondContact O-N 3.43Å
604	A	95.5	Very high	93.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.6	-38.9	171.6	0	0	0	0	0	112.1	A566 E571 M573 F574 I607 C608	A566-A604 HydrophobicContact CB-CB 3.82Å; E571-A604 WeakPolarHBondContact O-CB 3.43Å; E571-A604 PolarHBondContact O-N 3.37Å; M573-A604 VanDerWaalsContact O-CB 3.23Å; M573-A604 WeakPolarHBondContact O-CB 3.41Å; F574-A604 HydrophobicContact CB-CB 3.92Å; F574-A604 HydrophobicContact CD1-CB 4.2Å; F574-A604 HydrophobicContact CG-CB 4.48Å; A604-I607 PolarHBondContact O-N 3.34Å; A604-C608 WeakPolarHBondContact O-CB 3.24Å; A604-C608 PolarHBondContact O-N 2.88Å; A604-C608 PolarHBondContact O-SG 2.94Å
605	E	95.1	Very high	93.7	Very high	153 Å²	153	41 Å²	41	72%	0.715	22%	0.224	S	C	*	.	H	α-helix	trans	-65.8	-41.5	179.8	-132	172.3	-169.5	0	0	111.7	A566 T603 C608 G609	A566-E605 HydrophobicContact CB-CB 4.36Å; A566-E605 HydrophobicContact CB-CG 4.2Å; T603-E605 PolarHBondContact O-N 3.31Å; E605-C608 PolarHBondContact O-N 3.45Å; E605-G609 PolarHBondContact O-N 2.84Å
606	E	95.9	Very high	93.4	Very high	106 Å²	106	47.7 Å²	47.7	50%	0.495	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-44.7	174	-73.5	166.2	149.4	0	0	111.8	E602 T603 C608 G609 V610	E602-E606 VanDerWaalsContact CA-OE2 3.26Å; E602-E606 WeakPolarHBondContact CA-OE2 3.42Å; E602-E606 HydrophobicContact CB-CB 4.34Å; T603-E606 PolarHBondContact N-OE2 3.48Å; T603-E606 PolarHBondContact O-N 3.49Å; T603-E606 VanDerWaalsContact OG1-CG 3.25Å; T603-E606 WeakPolarHBondContact OG1-CG 3.33Å; T603-E606 PolarHBondContact OG1-N 3.41Å; T603-E606 PolarHBondContact OG1-OE2 3.04Å; T603-E606 VanDerWaalsContact OG1-OE2 3.05Å; E606-C608 PolarHBondContact O-N 2.96Å; E606-G609 PolarHBondContact O-N 3.44Å; E606-G609 VanDerWaalsContact O-N 3.16Å; E606-V610 WeakPolarHBondContact O-CG2 3.12Å; E606-V610 PolarHBondContact O-N 2.99Å
607	I	96.1	Very high	92.9	Very high	3 Å²	3	52 Å²	52	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-47.9	176.6	-64.9	172.7	0	0	0	110.4	F490 T492 F574 E602 T603 A604 G609 V610 L611	F490-I607 HydrophobicContact CB-CD1 4.08Å; F490-I607 HydrophobicContact CB-CG1 4.32Å; F490-I607 HydrophobicContact CD1-CD1 4.3Å; F490-I607 HydrophobicContact CD1-CG1 3.72Å; F490-I607 HydrophobicContact CD2-CG1 4.21Å; F490-I607 HydrophobicContact CD2-CG2 3.98Å; F490-I607 HydrophobicContact CE1-CG1 4Å; F490-I607 HydrophobicContact CE2-CG1 4.44Å; F490-I607 HydrophobicContact CE2-CG2 4.11Å; F490-I607 HydrophobicContact CG-CD1 4.13Å; F490-I607 HydrophobicContact CG-CG1 3.82Å; F490-I607 HydrophobicContact CG-CG2 4.37Å; F490-I607 HydrophobicContact CZ-CG1 4.33Å; T492-I607 HydrophobicContact CG2-CD1 4.45Å; F574-I607 HydrophobicContact CE1-CD1 4.09Å; F574-I607 HydrophobicContact CE2-CG2 4.28Å; F574-I607 HydrophobicContact CZ-CG2 4.21Å; E602-I607 HydrophobicContact CB-CG1 4.12Å; T603-I607 WeakPolarHBondContact O-CG1 3.12Å; T603-I607 PolarHBondContact O-N 3.43Å; A604-I607 PolarHBondContact O-N 3.34Å; I607-G609 VanDerWaalsContact C-N 3.29Å; I607-G609 PolarHBondContact O-N 3.32Å; I607-V610 PolarHBondContact O-N 3.12Å; I607-L611 WeakPolarHBondContact O-CB 3.11Å; I607-L611 PolarHBondContact O-N 3.4Å
608	C	95.4	Very high	92.3	Very high	13 Å²	13	52.4 Å²	52.4	9%	0.088	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-36.4	175.9	-74.7	0	0	0	0	112.4	W564 A604 E605 E606 G612	W564-C608 PolarHBondContact NE1-O 3.4Å; A604-C608 WeakPolarHBondContact O-CB 3.24Å; A604-C608 PolarHBondContact O-N 2.88Å; A604-C608 PolarHBondContact O-SG 2.94Å; E605-C608 PolarHBondContact O-N 3.45Å; E606-C608 PolarHBondContact O-N 2.96Å; C608-G612 PolarHBondContact O-N 3.43Å
609	G	95.6	Very high	91.5	Very high	35 Å²	35	55.7 Å²	55.7	36%	0.361	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-46.4	174.3	0	0	0	0	0	112.5	E605 E606 I607 G612 Q613	E605-G609 PolarHBondContact O-N 2.84Å; E606-G609 PolarHBondContact O-N 3.44Å; E606-G609 VanDerWaalsContact O-N 3.16Å; I607-G609 VanDerWaalsContact C-N 3.29Å; I607-G609 PolarHBondContact O-N 3.32Å; G609-G612 PolarHBondContact O-N 2.96Å; G609-Q613 WeakPolarHBondContact O-CG 3.39Å; G609-Q613 PolarHBondContact O-N 3.03Å
610	V	95.6	Very high	90.9	Very high	35 Å²	35	60 Å²	60	21%	0.212	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-39.9	177.6	176	0	0	0	0	111.4	F487 A488 F490 I535 E606 I607 G612 Q613 A614	F487-V610 HydrophobicContact CD1-CG1 3.96Å; F487-V610 HydrophobicContact CE1-CG1 3.87Å; A488-V610 HydrophobicContact CB-CG1 3.59Å; F490-V610 HydrophobicContact CE2-CB 4.35Å; F490-V610 HydrophobicContact CE2-CG1 4.18Å; F490-V610 HydrophobicContact CZ-CB 3.79Å; F490-V610 HydrophobicContact CZ-CG1 3.79Å; F490-V610 HydrophobicContact CZ-CG2 4.01Å; I535-V610 HydrophobicContact CD1-CG1 4.43Å; E606-V610 WeakPolarHBondContact O-CG2 3.12Å; E606-V610 PolarHBondContact O-N 2.99Å; I607-V610 PolarHBondContact O-N 3.12Å; V610-G612 VanDerWaalsContact C-N 3.27Å; V610-G612 PolarHBondContact O-N 2.89Å; V610-Q613 WeakPolarHBondContact O-CB 3.45Å; V610-Q613 PolarHBondContact O-N 3.08Å; V610-Q613 VanDerWaalsContact O-N 3.15Å; V610-A614 PolarHBondContact O-N 2.95Å
611	L	94.3	Very high	90.1	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-39.5	173.5	-168.2	70.3	0	0	0	111.5	I535 L542 L558 I561 W564 L576 I607 A614 M615	I535-L611 HydrophobicContact CD1-CB 4.24Å; I535-L611 HydrophobicContact CD1-CD1 3.55Å; I535-L611 HydrophobicContact CG1-CD1 4.04Å; L542-L611 HydrophobicContact CD1-CD1 3.7Å; L558-L611 HydrophobicContact CD2-CD1 3.98Å; I561-L611 HydrophobicContact CD1-CD1 4.26Å; I561-L611 HydrophobicContact CD1-CD2 4.47Å; W564-L611 HydrophobicContact CB-CD2 3.93Å; W564-L611 HydrophobicContact CD2-CD2 3.92Å; W564-L611 HydrophobicContact CE3-CD2 4.37Å; W564-L611 HydrophobicContact CG-CD2 3.71Å; L576-L611 HydrophobicContact CD2-CD2 3.6Å; I607-L611 WeakPolarHBondContact O-CB 3.11Å; I607-L611 PolarHBondContact O-N 3.4Å; L611-A614 PolarHBondContact O-N 3.34Å; L611-M615 WeakPolarHBondContact O-CB 3.4Å; L611-M615 WeakPolarHBondContact O-CG 3.39Å; L611-M615 PolarHBondContact O-N 3.31Å
612	G	93.4	Very high	88.7	Confident	19 Å²	19	59.6 Å²	59.6	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-35.7	174.1	0	0	0	0	0	113.9	C608 G609 V610 K616	C608-G612 PolarHBondContact O-N 3.43Å; G609-G612 PolarHBondContact O-N 2.96Å; V610-G612 VanDerWaalsContact C-N 3.27Å; V610-G612 PolarHBondContact O-N 2.89Å; G612-K616 PolarHBondContact O-N 3.45Å; G612-K616 VanDerWaalsContact O-N 3.08Å
613	Q	93.2	Very high	87.1	Confident	121 Å²	121	61.5 Å²	61.5	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-67.6	-42.7	173.1	-68.6	175.2	27.2	0	0	111.6	F487 G609 V610 K616 F617	F487-Q613 HydrophobicContact CE1-CB 4.24Å; F487-Q613 HydrophobicContact CZ-CB 4.05Å; G609-Q613 WeakPolarHBondContact O-CG 3.39Å; G609-Q613 PolarHBondContact O-N 3.03Å; V610-Q613 WeakPolarHBondContact O-CB 3.45Å; V610-Q613 PolarHBondContact O-N 3.08Å; V610-Q613 VanDerWaalsContact O-N 3.15Å; Q613-K616 PolarHBondContact O-N 2.93Å; Q613-F617 PolarHBondContact O-N 3.26Å
614	A	91.9	Very high	84.5	Confident	2 Å²	2	66.5 Å²	66.5	2%	0.017	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-44.5	176.3	0	0	0	0	0	111.7	F487 I535 V610 L611 K616 F617 V618	F487-A614 HydrophobicContact CD1-CB 3.77Å; F487-A614 HydrophobicContact CD2-CB 4.18Å; F487-A614 HydrophobicContact CE1-CB 3.79Å; F487-A614 HydrophobicContact CE2-CB 4.21Å; F487-A614 HydrophobicContact CG-CB 3.98Å; F487-A614 HydrophobicContact CZ-CB 4.02Å; I535-A614 HydrophobicContact CG2-CB 3.68Å; V610-A614 PolarHBondContact O-N 2.95Å; L611-A614 PolarHBondContact O-N 3.34Å; A614-K616 PolarHBondContact O-N 3.22Å; A614-F617 WeakPolarHBondContact O-CB 3.39Å; A614-F617 PolarHBondContact O-N 2.85Å; A614-V618 WeakPolarHBondContact O-CG2 3.25Å; A614-V618 PolarHBondContact O-N 2.95Å
615	M	89.7	Confident	84	Confident	39 Å²	39	69.8 Å²	69.8	19%	0.192	40%	0.399	C	S	.	.	H	α-helix	trans	-56.7	-47	173.4	-83.7	-90.6	-166	0	0	112.8	L558 I561 W564 L611 V618 S619	L558-M615 HydrophobicContact CD2-CG 4.33Å; L558-M615 WeakPolarHBondContact O-CE 3.42Å; I561-M615 HydrophobicContact CB-CE 3.56Å; I561-M615 HydrophobicContact CG1-CE 4.41Å; I561-M615 HydrophobicContact CG2-CE 4.11Å; I561-M615 WeakPolarHBondContact O-CE 3.38Å; W564-M615 HydrophobicContact CE3-CE 4.16Å; W564-M615 HydrophobicContact CH2-CB 4.18Å; W564-M615 HydrophobicContact CH2-CE 4.16Å; W564-M615 HydrophobicContact CH2-CG 3.74Å; W564-M615 HydrophobicContact CH2-SD 4.26Å; W564-M615 HydrophobicContact CZ2-CG 4.44Å; W564-M615 HydrophobicContact CZ3-CE 3.51Å; W564-M615 HydrophobicContact CZ3-CG 4.04Å; W564-M615 HydrophobicContact CZ3-SD 4.17Å; L611-M615 WeakPolarHBondContact O-CB 3.4Å; L611-M615 WeakPolarHBondContact O-CG 3.39Å; L611-M615 PolarHBondContact O-N 3.31Å; M615-V618 PolarHBondContact O-N 3.47Å; M615-S619 PolarHBondContact O-N 2.95Å; M615-S619 PolarHBondContact O-OG 3.23Å
616	K	88.7	Confident	83.4	Confident	142 Å²	142	65.4 Å²	65.4	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-59.9	-47	176	-88.3	-175.3	175.3	-179.2	0	111.6	G612 Q613 A614 V618 S619 E620	G612-K616 PolarHBondContact O-N 3.45Å; G612-K616 VanDerWaalsContact O-N 3.08Å; Q613-K616 PolarHBondContact O-N 2.93Å; A614-K616 PolarHBondContact O-N 3.22Å; K616-V618 VanDerWaalsContact C-N 3.29Å; K616-V618 PolarHBondContact O-N 3.06Å; K616-S619 WeakPolarHBondContact CA-OG 3.49Å; K616-S619 PolarHBondContact O-N 3.37Å; K616-S619 VanDerWaalsContact O-N 3.12Å; K616-S619 PolarHBondContact O-OG 2.93Å; K616-E620 WeakPolarHBondContact O-CG 3.31Å; K616-E620 PolarHBondContact O-N 3.09Å
617	F	85.5	Confident	82.7	Confident	90 Å²	90	63.2 Å²	63.2	40%	0.395	38%	0.376	S	S	.	.	H	α-helix	trans	-57.2	-42.7	178.9	-170.1	-94.8	0	0	0	111.9	F487 K537 Q613 A614 S621	F487-F617 HydrophobicContact CE2-CB 4.2Å; F487-F617 HydrophobicContact CE2-CG 4.33Å; K537-F617 HydrophobicContact CD-CE1 4.23Å; K537-F617 HydrophobicContact CG-CE1 4.42Å; Q613-F617 PolarHBondContact O-N 3.26Å; A614-F617 WeakPolarHBondContact O-CB 3.39Å; A614-F617 PolarHBondContact O-N 2.85Å; F617-S621 WeakPolarHBondContact O-CB 3.46Å; F617-S621 PolarHBondContact O-N 3.48Å; F617-S621 PolarHBondContact O-OG 3.06Å
618	V	82.4	Confident	81.9	Confident	30 Å²	30	66.7 Å²	66.7	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-67	-41.6	176.3	176.2	0	0	0	0	111.7	P540 L558 A614 M615 K616 E620 S621 C622	P540-V618 HydrophobicContact CB-CB 4.45Å; P540-V618 HydrophobicContact CB-CG1 4.05Å; P540-V618 HydrophobicContact CB-CG2 3.48Å; P540-V618 VanDerWaalsContact CB-CG2 3.48Å; P540-V618 HydrophobicContact CG-CG1 4.2Å; P540-V618 HydrophobicContact CG-CG2 4.42Å; L558-V618 HydrophobicContact CD1-CG2 3.94Å; A614-V618 WeakPolarHBondContact O-CG2 3.25Å; A614-V618 PolarHBondContact O-N 2.95Å; M615-V618 PolarHBondContact O-N 3.47Å; K616-V618 VanDerWaalsContact C-N 3.29Å; K616-V618 PolarHBondContact O-N 3.06Å; V618-E620 VanDerWaalsContact C-N 3.34Å; V618-E620 PolarHBondContact O-N 3.2Å; V618-S621 PolarHBondContact O-N 2.89Å; V618-C622 PolarHBondContact O-N 2.98Å
619	S	78.8	Confident	81	Confident	69 Å²	69	70.1 Å²	70.1	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-36.2	178.4	67.8	0	0	0	0	113.3	M615 K616 S623	M615-S619 PolarHBondContact O-N 2.95Å; M615-S619 PolarHBondContact O-OG 3.23Å; K616-S619 WeakPolarHBondContact CA-OG 3.49Å; K616-S619 PolarHBondContact O-N 3.37Å; K616-S619 VanDerWaalsContact O-N 3.12Å; K616-S619 PolarHBondContact O-OG 2.93Å; S619-S623 PolarHBondContact O-N 2.99Å; S619-S623 PolarHBondContact O-OG 3.49Å
620	E	78.8	Confident	80.1	Confident	125 Å²	125	72.4 Å²	72.4	58%	0.584	42%	0.42	S	S	*	.	H	α-helix	trans	-71.3	-39	175	-71.5	174	-175.3	0	0	111.2	K616 V618 C622 S623 S624	K616-E620 WeakPolarHBondContact O-CG 3.31Å; K616-E620 PolarHBondContact O-N 3.09Å; V618-E620 VanDerWaalsContact C-N 3.34Å; V618-E620 PolarHBondContact O-N 3.2Å; E620-C622 VanDerWaalsContact C-N 3.31Å; E620-C622 PolarHBondContact O-N 3.01Å; E620-S623 WeakPolarHBondContact CA-OG 3.4Å; E620-S623 PolarHBondContact O-N 3.26Å; E620-S623 PolarHBondContact O-OG 3.34Å; E620-S623 VanDerWaalsContact O-OG 3.11Å; E620-S624 PolarHBondContact O-N 2.68Å
621	S	70.8	Confident	79	Confident	57 Å²	57	75.1 Å²	75.1	40%	0.399	44%	0.435	S	S	.	.	H	α-helix	trans	-69.3	-24.5	178.1	-53.1	0	0	0	0	113.8	F617 V618 S624	F617-S621 WeakPolarHBondContact O-CB 3.46Å; F617-S621 PolarHBondContact O-N 3.48Å; F617-S621 PolarHBondContact O-OG 3.06Å; V618-S621 PolarHBondContact O-N 2.89Å; S621-S624 PolarHBondContact O-OG 3.48Å; S621-S624 VanDerWaalsContact O-OG 3.07Å
622	C	60	Low	77.8	Confident	109 Å²	109	80.5 Å²	80.5	74%	0.736	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.6	174.5	-80.3	0	0	0	0	113.8	V618 E620	V618-C622 PolarHBondContact O-N 2.98Å; E620-C622 VanDerWaalsContact C-N 3.31Å; E620-C622 PolarHBondContact O-N 3.01Å
623	S	57.1	Low	76.5	Confident	101 Å²	101	85.7 Å²	85.7	71%	0.706	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-9.2	176.9	39.8	0	0	0	0	113.5	S619 E620	S619-S623 PolarHBondContact O-N 2.99Å; S619-S623 PolarHBondContact O-OG 3.49Å; E620-S623 WeakPolarHBondContact CA-OG 3.4Å; E620-S623 PolarHBondContact O-N 3.26Å; E620-S623 PolarHBondContact O-OG 3.34Å; E620-S623 VanDerWaalsContact O-OG 3.11Å
624	S	40.9	Very low	75	Confident	143 Å²	143	82.5 Å²	82.5	100%	1	48%	0.483	S	S	*	.			trans	-89.1	0	161.2	59.7	0	0	0	0	111.5	E620 S621	E620-S624 PolarHBondContact O-N 2.68Å; S621-S624 PolarHBondContact O-OG 3.48Å; S621-S624 VanDerWaalsContact O-OG 3.07Å

Retrieved 624 of 624 residues in 1460.5 ms (Link to these results)

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