X6R717_HUMAN Loading...

DEAH-box helicase 32 (putative)

AlphaFold DB , UniProt , Accession X6R717, Species HUMAN (Homo sapiens, Human), Gene DHX32, Length 367 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	49	Very low	78.9	Confident	243 Å²	243	84.6 Å²	84.6	100%	1.197	43%	0.43	S	S	*	.				0	119.7	0	-74.8	-105.2	-89.6	0	0	107.6
2	Q	68.6	Low	79.4	Confident	174 Å²	174	88.7 Å²	88.7	81%	0.813	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-94.3	149.3	173.7	-75.9	-173.9	-13.1	0	0	110.5
3	P	80.3	Confident	79.5	Confident	87 Å²	87	90 Å²	90	57%	0.565	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-61.2	152.5	172.8	-19.5	31.8	0	0	0	112.4	F32	P3-F32 HydrophobicContact CB-CE1 4.24Å; P3-F32 HydrophobicContact CB-CZ 3.81Å; P3-F32 HydrophobicContact CG-CZ 3.9Å
4	I	82.8	Confident	79.5	Confident	37 Å²	37	92.9 Å²	92.9	19%	0.19	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-72.2	153.2	172.2	64.1	174.2	0	0	0	111.1	Q8 A9 M37	I4-Q8 HydrophobicContact CB-CB 4.21Å; I4-A9 HydrophobicContact CD1-CB 3.87Å; I4-M37 HydrophobicContact CG1-CE 4.08Å
5	S	85.1	Confident	79.1	Confident	8 Å²	8	94.4 Å²	94.4	6%	0.056	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-73.5	161.7	173.9	68.1	0	0	0	0	112.6	S7 Q8 A9 T38 L40	S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 PolarHBondContact O-N 3.31Å; S5-S7 PolarHBondContact OG-OG 3.34Å; S5-S7 VanDerWaalsContact OG-OG 3.06Å; S5-Q8 PolarHBondContact O-N 3.02Å; S5-Q8 VanDerWaalsContact O-N 3.14Å; S5-Q8 WeakPolarHBondContact OG-CG 3.41Å; S5-Q8 PolarHBondContact OG-N 3.07Å; S5-Q8 PolarHBondContact OG-OE1 3.31Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-T38 CarbonylContact C-O 3.57Å; S5-T38 WeakPolarHBondContact CA-O 3.1Å; S5-T38 VanDerWaalsContact CB-O 3.28Å; S5-T38 WeakPolarHBondContact CB-O 3.47Å; S5-L40 WeakPolarHBondContact OG-CD1 3.48Å
6	Q	83.9	Confident	78.3	Confident	66 Å²	66	93 Å²	93	31%	0.308	45%	0.454	S	S	.	.	H	α-helix	trans	-54.4	-45.4	175.2	-65.2	-179.2	4.4	0	0	111.7	Q8 A9 E10 M37 T38	Q6-Q8 VanDerWaalsContact C-N 3.34Å; Q6-Q8 PolarHBondContact O-N 3.01Å; Q6-A9 WeakPolarHBondContact O-CB 3.37Å; Q6-A9 PolarHBondContact O-N 3.25Å; Q6-E10 WeakPolarHBondContact O-CG 3.39Å; Q6-E10 PolarHBondContact O-N 3.15Å; Q6-M37 HydrophobicContact CG-CB 3.65Å; Q6-M37 WeakPolarHBondContact CG-O 3.44Å; Q6-M37 PolarHBondContact NE2-O 3.33Å; Q6-T38 PolarHBondContact N-O 3.09Å
7	S	82.1	Confident	77.3	Confident	26 Å²	26	91.4 Å²	91.4	18%	0.182	47%	0.467	C	S	.	.	H	α-helix	trans	-62.7	-38.3	178.6	73.7	0	0	0	0	113.1	S5 A9 E10 I11 L40	S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 PolarHBondContact O-N 3.31Å; S5-S7 PolarHBondContact OG-OG 3.34Å; S5-S7 VanDerWaalsContact OG-OG 3.06Å; S7-A9 VanDerWaalsContact C-N 3.33Å; S7-E10 PolarHBondContact O-N 3.05Å; S7-I11 VanDerWaalsContact O-CG1 3.27Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 3.3Å; S7-L40 WeakPolarHBondContact OG-CB 3.45Å; S7-L40 WeakPolarHBondContact OG-CD1 3.23Å; S7-L40 WeakPolarHBondContact OG-CG 3.46Å
8	Q	84.4	Confident	76.4	Confident	86 Å²	86	92.3 Å²	92.3	40%	0.402	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-37.9	178.8	-74.9	169.3	-31.7	0	0	110.1	I4 S5 Q6 R12 L40	I4-Q8 HydrophobicContact CB-CB 4.21Å; S5-Q8 PolarHBondContact O-N 3.02Å; S5-Q8 VanDerWaalsContact O-N 3.14Å; S5-Q8 WeakPolarHBondContact OG-CG 3.41Å; S5-Q8 PolarHBondContact OG-N 3.07Å; S5-Q8 PolarHBondContact OG-OE1 3.31Å; Q6-Q8 VanDerWaalsContact C-N 3.34Å; Q6-Q8 PolarHBondContact O-N 3.01Å; Q8-R12 VanDerWaalsContact O-CG 3.27Å; Q8-R12 WeakPolarHBondContact O-CG 3.49Å; Q8-R12 PolarHBondContact O-N 2.7Å; Q8-L40 HydrophobicContact CG-CD1 4.44Å
9	A	85.3	Confident	75.6	Confident	5 Å²	5	91.1 Å²	91.1	4%	0.041	48%	0.483	C	S	.	.	H	α-helix	trans	-63.6	-41.3	172.4	0	0	0	0	0	111.8	I4 S5 Q6 S7 R12 K13 M37	I4-A9 HydrophobicContact CD1-CB 3.87Å; S5-A9 PolarHBondContact O-N 3.09Å; Q6-A9 WeakPolarHBondContact O-CB 3.37Å; Q6-A9 PolarHBondContact O-N 3.25Å; S7-A9 VanDerWaalsContact C-N 3.33Å; A9-R12 PolarHBondContact O-N 3.46Å; A9-K13 WeakPolarHBondContact O-CG 3.44Å; A9-K13 PolarHBondContact O-N 3.12Å; A9-M37 HydrophobicContact CB-SD 4.4Å
10	E	83.9	Confident	75	Confident	109 Å²	109	93.3 Å²	93.3	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-45.6	175.7	-74.3	176.2	179.9	0	0	112.6	Q6 S7 R12 K13 Q14	Q6-E10 WeakPolarHBondContact O-CG 3.39Å; Q6-E10 PolarHBondContact O-N 3.15Å; S7-E10 PolarHBondContact O-N 3.05Å; E10-R12 VanDerWaalsContact C-N 3.29Å; E10-R12 PolarHBondContact O-N 3.37Å; E10-K13 WeakPolarHBondContact O-CB 2.96Å; E10-K13 PolarHBondContact O-N 3.16Å; E10-K13 VanDerWaalsContact O-N 3.1Å; E10-Q14 WeakPolarHBondContact O-CG 3.43Å; E10-Q14 PolarHBondContact O-N 3.23Å
11	I	82.7	Confident	75	Confident	90 Å²	90	94 Å²	94	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-58	-44.4	175.1	-69.4	164.4	0	0	0	110.1	S7 K13 Q14 I15	S7-I11 VanDerWaalsContact O-CG1 3.27Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 3.3Å; I11-K13 VanDerWaalsContact C-N 3.32Å; I11-K13 PolarHBondContact O-N 3.33Å; I11-Q14 PolarHBondContact O-N 3.21Å; I11-Q14 VanDerWaalsContact O-N 3.13Å; I11-I15 HydrophobicContact CG2-CD1 4.06Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.39Å
12	R	84.8	Confident	76	Confident	133 Å²	133	84.7 Å²	84.7	50%	0.502	49%	0.485	S	S	.	.	H	α-helix	trans	-61.1	-38.4	176.2	-73.6	175.4	-176	-166.2	2.6	112.6	Q8 A9 E10 F24	Q8-R12 VanDerWaalsContact O-CG 3.27Å; Q8-R12 WeakPolarHBondContact O-CG 3.49Å; Q8-R12 PolarHBondContact O-N 2.7Å; A9-R12 PolarHBondContact O-N 3.46Å; E10-R12 VanDerWaalsContact C-N 3.29Å; E10-R12 PolarHBondContact O-N 3.37Å; R12-F24 HydrophobicContact CB-CE2 4.21Å; R12-F24 HydrophobicContact CB-CZ 4.01Å
13	K	80.6	Confident	76.5	Confident	106 Å²	106	84.8 Å²	84.8	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-42.1	172.6	-72.4	174.7	-179.7	179.8	0	111.5	A9 E10 I11 L16 G17 F24	A9-K13 WeakPolarHBondContact O-CG 3.44Å; A9-K13 PolarHBondContact O-N 3.12Å; E10-K13 WeakPolarHBondContact O-CB 2.96Å; E10-K13 PolarHBondContact O-N 3.16Å; E10-K13 VanDerWaalsContact O-N 3.1Å; I11-K13 VanDerWaalsContact C-N 3.32Å; I11-K13 PolarHBondContact O-N 3.33Å; K13-L16 PolarHBondContact O-N 2.8Å; K13-G17 PolarHBondContact O-N 3.39Å; K13-F24 HydrophobicContact CD-CE1 4.49Å; K13-F24 HydrophobicContact CG-CD1 3.7Å; K13-F24 HydrophobicContact CG-CE1 3.55Å; K13-F24 HydrophobicContact CG-CZ 4.27Å
14	Q	78.8	Confident	76.4	Confident	131 Å²	131	84.4 Å²	84.4	61%	0.612	47%	0.472	S	S	*	.	H	α-helix	trans	-67.8	-37.3	-178.1	-74.1	177.9	1.5	0	0	113.1	E10 I11 L16 G17	E10-Q14 WeakPolarHBondContact O-CG 3.43Å; E10-Q14 PolarHBondContact O-N 3.23Å; I11-Q14 PolarHBondContact O-N 3.21Å; I11-Q14 VanDerWaalsContact O-N 3.13Å; Q14-L16 PolarHBondContact O-N 3.1Å; Q14-G17 PolarHBondContact O-N 3.07Å
15	I	74.8	Confident	76.5	Confident	115 Å²	115	90.2 Å²	90.2	59%	0.59	50%	0.496	S	S	*	.	H	α-helix	trans	-53.7	-39.2	176.8	-71.2	165.5	0	0	0	111.1	I11 S18	I11-I15 HydrophobicContact CG2-CD1 4.06Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.39Å; I15-S18 PolarHBondContact O-OG 3.32Å
16	L	65.6	Low	76.5	Confident	72 Å²	72	92.2 Å²	92.2	38%	0.377	51%	0.51	S	S	.	.	H	α-helix	trans	-84.9	-20.5	178.1	-71.9	163.3	0	0	0	114	K13 Q14 S18 S19 F24	K13-L16 PolarHBondContact O-N 2.8Å; Q14-L16 PolarHBondContact O-N 3.1Å; L16-S18 PolarHBondContact O-N 3.14Å; L16-S18 VanDerWaalsContact O-N 3.15Å; L16-S19 PolarHBondContact O-N 3.19Å; L16-F24 HydrophobicContact CD1-CB 4.09Å; L16-F24 HydrophobicContact CD1-CD2 3.41Å; L16-F24 VanDerWaalsContact CD1-CD2 3.41Å; L16-F24 HydrophobicContact CD1-CE2 4.22Å; L16-F24 HydrophobicContact CD1-CG 4.16Å
17	G	60.8	Low	76.8	Confident	66 Å²	66	97.1 Å²	97.1	68%	0.68	54%	0.537	S	S	*	.	H	α-helix	trans	-62.7	-15.6	175.3	0	0	0	0	0	113.9	K13 Q14 S19	K13-G17 PolarHBondContact O-N 3.39Å; Q14-G17 PolarHBondContact O-N 3.07Å; G17-S19 PolarHBondContact O-N 2.69Å
18	S	61.6	Low	77.2	Confident	107 Å²	107	98.9 Å²	98.9	75%	0.748	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.8	171.9	-22.3	0	0	0	0	113.9	I15 L16	I15-S18 PolarHBondContact O-OG 3.32Å; L16-S18 PolarHBondContact O-N 3.14Å; L16-S18 VanDerWaalsContact O-N 3.15Å
19	S	60.7	Low	77.4	Confident	70 Å²	70	99 Å²	99	49%	0.49	55%	0.546	S	S	.	.	S	Bend	trans	-119.5	124.8	-177.1	-166.9	0	0	0	0	110.6	L16 G17 S21	L16-S19 PolarHBondContact O-N 3.19Å; G17-S19 PolarHBondContact O-N 2.69Å; S19-S21 PolarHBondContact O-N 3.47Å
20	S	63.8	Low	77.4	Confident	135 Å²	135	107.1 Å²	107.1	94%	0.944	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-0.3	-169	52.7	0	0	0	0	115.8
21	S	74.8	Confident	77.5	Confident	107 Å²	107	108.3 Å²	108.3	75%	0.748	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.2	14.4	-175.2	65	0	0	0	0	116.1	S19	S19-S21 PolarHBondContact O-N 3.47Å
22	G	70.6	Confident	77.7	Confident	48 Å²	48	106.9 Å²	106.9	50%	0.495	58%	0.58	S	S	.	*			trans	-77.3	142.2	179.5	0	0	0	0	0	114.1
23	K	79.1	Confident	77.7	Confident	176 Å²	176	101.9 Å²	101.9	77%	0.765	57%	0.567	S	S	*	*			trans	-105.8	130.2	165.3	-66.9	-178	-178.5	178.5	0	109.2	F25	K23-F25 HydrophobicContact CB-CE2 3.9Å; K23-F25 HydrophobicContact CB-CZ 4.08Å; K23-F25 HydrophobicContact CD-CZ 4.29Å
24	F	78.6	Confident	77.7	Confident	79 Å²	79	100.6 Å²	100.6	35%	0.346	57%	0.571	S	S	.	*			trans	-107.8	123.8	175.8	-176.6	-109.5	0	0	0	109.8	R12 K13 L16 C26	R12-F24 HydrophobicContact CB-CE2 4.21Å; R12-F24 HydrophobicContact CB-CZ 4.01Å; K13-F24 HydrophobicContact CD-CE1 4.49Å; K13-F24 HydrophobicContact CG-CD1 3.7Å; K13-F24 HydrophobicContact CG-CE1 3.55Å; K13-F24 HydrophobicContact CG-CZ 4.27Å; L16-F24 HydrophobicContact CD1-CB 4.09Å; L16-F24 HydrophobicContact CD1-CD2 3.41Å; L16-F24 VanDerWaalsContact CD1-CD2 3.41Å; L16-F24 HydrophobicContact CD1-CE2 4.22Å; L16-F24 HydrophobicContact CD1-CG 4.16Å; F24-C26 VanDerWaalsContact CD1-SG 3.56Å; F24-C26 WeakPolarHBondContact CE1-SG 3.31Å
25	F	84.6	Confident	77.8	Confident	160 Å²	160	101.9 Å²	101.9	70%	0.702	58%	0.575	S	S	*	*			trans	-104.9	112.4	179.6	-62.1	-84.7	0	0	0	109.6	K23	K23-F25 HydrophobicContact CB-CE2 3.9Å; K23-F25 HydrophobicContact CB-CZ 4.08Å; K23-F25 HydrophobicContact CD-CZ 4.29Å
26	C	85.6	Confident	78.2	Confident	50 Å²	50	101.4 Å²	101.4	34%	0.338	57%	0.574	S	S	.	*			trans	-83.4	119.9	172.1	-60.2	0	0	0	0	108.8	F24 Y28	F24-C26 VanDerWaalsContact CD1-SG 3.56Å; F24-C26 WeakPolarHBondContact CE1-SG 3.31Å; C26-Y28 HydrophobicContact CB-CD1 4.3Å; C26-Y28 HydrophobicContact CB-CD2 4.15Å; C26-Y28 HydrophobicContact CB-CE1 3.93Å; C26-Y28 HydrophobicContact CB-CE2 3.78Å; C26-Y28 HydrophobicContact CB-CG 4.4Å; C26-Y28 PolarHBondContact O-N 3.3Å; C26-Y28 VanDerWaalsContact O-N 3.12Å
27	L	90.5	Very high	79	Confident	169 Å²	169	98.4 Å²	98.4	89%	0.885	56%	0.558	S	S	*	*	S	Bend	trans	-86.1	41.8	176.3	-57.3	-178.5	0	0	0	111.8
28	Y	88.6	Confident	80	Confident	63 Å²	63	98.7 Å²	98.7	25%	0.247	55%	0.546	C	S	.	.	S	Bend	trans	-154.5	157.3	179.2	49.1	-97.2	0	0	0	109.6	C26 F32 A33 M37	C26-Y28 HydrophobicContact CB-CD1 4.3Å; C26-Y28 HydrophobicContact CB-CD2 4.15Å; C26-Y28 HydrophobicContact CB-CE1 3.93Å; C26-Y28 HydrophobicContact CB-CE2 3.78Å; C26-Y28 HydrophobicContact CB-CG 4.4Å; C26-Y28 PolarHBondContact O-N 3.3Å; C26-Y28 VanDerWaalsContact O-N 3.12Å; Y28-F32 HydrophobicContact CG-CD1 4.43Å; Y28-A33 HydrophobicContact CD2-CB 4.1Å; Y28-A33 HydrophobicContact CE2-CB 3.94Å; Y28-M37 HydrophobicContact CD1-CE 3.78Å; Y28-M37 HydrophobicContact CD2-CE 3.71Å; Y28-M37 HydrophobicContact CE1-CE 3.65Å; Y28-M37 HydrophobicContact CE2-CE 3.57Å; Y28-M37 HydrophobicContact CE2-SD 4.26Å; Y28-M37 HydrophobicContact CG-CE 3.8Å
29	T	89.8	Confident	80.7	Confident	87 Å²	87	97.8 Å²	97.8	53%	0.534	54%	0.538	S	S	.	.			trans	-77.3	156	-179.7	61.7	0	0	0	0	111.5	E31 F32 A33	T29-E31 PolarHBondContact O-N 3.41Å; T29-F32 PolarHBondContact O-N 3.07Å; T29-F32 WeakPolarHBondContact OG1-CB 3.28Å; T29-F32 PolarHBondContact OG1-N 2.66Å; T29-A33 PolarHBondContact O-N 2.97Å; T29-A33 VanDerWaalsContact O-N 3.09Å
30	E	85.3	Confident	81.2	Confident	176 Å²	176	99.2 Å²	99.2	82%	0.822	54%	0.54	S	S	*	.	H	α-helix	trans	-64.4	-30.9	173.3	-67.3	-172	164.6	0	0	112.2	A33 S34	E30-A33 PolarHBondContact O-N 3.49Å; E30-S34 PolarHBondContact O-N 3.09Å; E30-S34 PolarHBondContact O-OG 3.43Å
31	E	86.9	Confident	81.1	Confident	135 Å²	135	98.5 Å²	98.5	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-62.6	-46.2	174	-64	-174.7	168.1	0	0	111.4	T29 A33 S34 K35	T29-E31 PolarHBondContact O-N 3.41Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 3.42Å; E31-S34 PolarHBondContact O-N 3.12Å; E31-S34 PolarHBondContact O-OG 2.81Å; E31-S34 VanDerWaalsContact O-OG 3.1Å; E31-K35 WeakPolarHBondContact O-CB 3.15Å; E31-K35 PolarHBondContact O-N 3.28Å
32	F	86.2	Confident	80.3	Confident	59 Å²	59	97.5 Å²	97.5	26%	0.259	51%	0.511	S	S	.	.	I	π-helix	trans	-61.3	-42.5	174.9	-179.5	-96.3	0	0	0	111.3	P3 Y28 T29 S34 D36 M37	P3-F32 HydrophobicContact CB-CE1 4.24Å; P3-F32 HydrophobicContact CB-CZ 3.81Å; P3-F32 HydrophobicContact CG-CZ 3.9Å; Y28-F32 HydrophobicContact CG-CD1 4.43Å; T29-F32 PolarHBondContact O-N 3.07Å; T29-F32 WeakPolarHBondContact OG1-CB 3.28Å; T29-F32 PolarHBondContact OG1-N 2.66Å; F32-S34 VanDerWaalsContact C-N 3.29Å; F32-S34 PolarHBondContact O-N 3.3Å; F32-D36 HydrophobicContact CD2-CB 3.49Å; F32-D36 VanDerWaalsContact CD2-CB 3.49Å; F32-D36 HydrophobicContact CE2-CB 3.65Å; F32-D36 HydrophobicContact CG-CB 4.2Å; F32-D36 HydrophobicContact CZ-CB 4.46Å; F32-D36 CarbonylContact O-C 3.51Å; F32-D36 PolarHBondContact O-N 3.44Å; F32-M37 HydrophobicContact CD1-CE 3.95Å; F32-M37 HydrophobicContact CD1-CG 3.81Å; F32-M37 HydrophobicContact CE1-CE 3.78Å; F32-M37 HydrophobicContact CE1-CG 3.55Å; F32-M37 HydrophobicContact CZ-CG 4.41Å; F32-M37 PolarHBondContact O-N 2.89Å
33	A	84	Confident	79.6	Confident	28 Å²	28	99.7 Å²	99.7	23%	0.231	52%	0.524	C	S	.	.	I	π-helix	trans	-63.9	-31.7	179.6	0	0	0	0	0	113.8	Y28 T29 E30 E31 M37	Y28-A33 HydrophobicContact CD2-CB 4.1Å; Y28-A33 HydrophobicContact CE2-CB 3.94Å; T29-A33 PolarHBondContact O-N 2.97Å; T29-A33 VanDerWaalsContact O-N 3.09Å; E30-A33 PolarHBondContact O-N 3.49Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 3.42Å; A33-M37 HydrophobicContact CB-SD 4.08Å
34	S	80.7	Confident	78.3	Confident	79 Å²	79	94.7 Å²	94.7	55%	0.552	50%	0.503	S	S	*	.	I	π-helix	trans	-91.4	-35.2	-176.9	53	0	0	0	0	113.7	E30 E31 F32	E30-S34 PolarHBondContact O-N 3.09Å; E30-S34 PolarHBondContact O-OG 3.43Å; E31-S34 PolarHBondContact O-N 3.12Å; E31-S34 PolarHBondContact O-OG 2.81Å; E31-S34 VanDerWaalsContact O-OG 3.1Å; F32-S34 VanDerWaalsContact C-N 3.29Å; F32-S34 PolarHBondContact O-N 3.3Å
35	K	81.4	Confident	77.1	Confident	159 Å²	159	93.6 Å²	93.6	69%	0.691	50%	0.5	S	S	*	.	I	π-helix	trans	-104	-35.9	-172.8	-64.9	-179.9	-179	172.5	0	114	E31	E31-K35 WeakPolarHBondContact O-CB 3.15Å; E31-K35 PolarHBondContact O-N 3.28Å
36	D	82.2	Confident	75.3	Confident	105 Å²	105	91.1 Å²	91.1	56%	0.561	49%	0.49	S	S	*	.	I	π-helix	trans	-111.6	-26.5	-166.4	-57.2	-39.6	0	0	0	113	F32 T38	F32-D36 HydrophobicContact CD2-CB 3.49Å; F32-D36 VanDerWaalsContact CD2-CB 3.49Å; F32-D36 HydrophobicContact CE2-CB 3.65Å; F32-D36 HydrophobicContact CG-CB 4.2Å; F32-D36 HydrophobicContact CZ-CB 4.46Å; F32-D36 CarbonylContact O-C 3.51Å; F32-D36 PolarHBondContact O-N 3.44Å; D36-T38 PolarHBondContact O-N 3.47Å
37	M	84.1	Confident	73.8	Confident	9 Å²	9	96.1 Å²	96.1	4%	0.044	51%	0.509	C	S	.	.	S	Bend	trans	-67	122.7	172.6	-80.7	-170.6	170.6	0	0	109.8	I4 Q6 A9 Y28 F32 A33	I4-M37 HydrophobicContact CG1-CE 4.08Å; Q6-M37 HydrophobicContact CG-CB 3.65Å; Q6-M37 WeakPolarHBondContact CG-O 3.44Å; Q6-M37 PolarHBondContact NE2-O 3.33Å; A9-M37 HydrophobicContact CB-SD 4.4Å; Y28-M37 HydrophobicContact CD1-CE 3.78Å; Y28-M37 HydrophobicContact CD2-CE 3.71Å; Y28-M37 HydrophobicContact CE1-CE 3.65Å; Y28-M37 HydrophobicContact CE2-CE 3.57Å; Y28-M37 HydrophobicContact CE2-SD 4.26Å; Y28-M37 HydrophobicContact CG-CE 3.8Å; F32-M37 HydrophobicContact CD1-CE 3.95Å; F32-M37 HydrophobicContact CD1-CG 3.81Å; F32-M37 HydrophobicContact CE1-CE 3.78Å; F32-M37 HydrophobicContact CE1-CG 3.55Å; F32-M37 HydrophobicContact CZ-CG 4.41Å; F32-M37 PolarHBondContact O-N 2.89Å; A33-M37 HydrophobicContact CB-SD 4.08Å
38	T	81.8	Confident	72.5	Confident	71 Å²	71	91 Å²	91	44%	0.436	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-71.2	144.3	176.8	49.4	0	0	0	0	110.5	S5 Q6 D36	S5-T38 CarbonylContact C-O 3.57Å; S5-T38 WeakPolarHBondContact CA-O 3.1Å; S5-T38 VanDerWaalsContact CB-O 3.28Å; S5-T38 WeakPolarHBondContact CB-O 3.47Å; Q6-T38 PolarHBondContact N-O 3.09Å; D36-T38 PolarHBondContact O-N 3.47Å
39	P	76.5	Confident	72	Confident	88 Å²	88	93 Å²	93	57%	0.571	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-60.4	162.5	165.9	27.1	-32.8	0	0	0	109.7	K41	P39-K41 PolarHBondContact O-N 3.49Å
40	L	70	Confident	71.9	Confident	101 Å²	101	89.1 Å²	89.1	53%	0.529	48%	0.482	S	S	.	.			trans	-55.8	110.1	175.2	-165	55.7	0	0	0	108.5	S5 S7 Q8	S5-L40 WeakPolarHBondContact OG-CD1 3.48Å; S7-L40 WeakPolarHBondContact OG-CB 3.45Å; S7-L40 WeakPolarHBondContact OG-CD1 3.23Å; S7-L40 WeakPolarHBondContact OG-CG 3.46Å; Q8-L40 HydrophobicContact CG-CD1 4.44Å
41	K	61.6	Low	72.3	Confident	120 Å²	120	80.8 Å²	80.8	52%	0.522	44%	0.443	S	S	.	.			trans	-65.8	131.8	163.1	-70.9	177.7	155.8	-148.4	0	106.6	P39 A43 E44	P39-K41 PolarHBondContact O-N 3.49Å; K41-A43 PolarHBondContact O-N 2.97Å; K41-E44 WeakPolarHBondContact CD-OE1 3.31Å; K41-E44 IonicContact NZ-OE1 3.21Å; K41-E44 PolarHBondContact NZ-OE1 3.41Å
42	P	58.5	Low	72.5	Confident	86 Å²	86	76.1 Å²	76.1	56%	0.558	43%	0.425	S	S	*	.			trans	-50.9	142.7	169.8	22.4	-30.7	0	0	0	107.9	E44	P42-E44 WeakPolarHBondContact O-CG 3.37Å; P42-E44 PolarHBondContact O-N 3.18Å
43	A	55.8	Low	72.7	Confident	93 Å²	93	75.7 Å²	75.7	77%	0.769	42%	0.424	S	S	*	.			trans	-51.2	103.6	-177.1	0	0	0	0	0	109.2	K41 M45	K41-A43 PolarHBondContact O-N 2.97Å; A43-M45 VanDerWaalsContact C-N 3.26Å; A43-M45 PolarHBondContact O-N 3.19Å
44	E	51.9	Low	73.1	Confident	71 Å²	71	74.8 Å²	74.8	33%	0.332	42%	0.416	S	S	.	.			trans	-74.6	89.4	-177.4	-75.3	177	-163	0	0	105.5	K41 P42 Q46 E47	K41-E44 WeakPolarHBondContact CD-OE1 3.31Å; K41-E44 IonicContact NZ-OE1 3.21Å; K41-E44 PolarHBondContact NZ-OE1 3.41Å; P42-E44 WeakPolarHBondContact O-CG 3.37Å; P42-E44 PolarHBondContact O-N 3.18Å; E44-Q46 HydrophobicContact CB-CB 4.29Å; E44-Q46 PolarHBondContact O-N 2.82Å; E44-E47 PolarHBondContact O-N 2.82Å
45	M	52.7	Low	73.7	Confident	56 Å²	56	71.4 Å²	71.4	28%	0.276	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-52.7	-10.4	162.4	-177	172.8	48.8	0	0	111.5	A43 E47 L50 M53 F70 N72 P74	A43-M45 VanDerWaalsContact C-N 3.26Å; A43-M45 PolarHBondContact O-N 3.19Å; M45-E47 PolarHBondContact O-N 3.39Å; M45-L50 HydrophobicContact CG-CD2 3.96Å; M45-L50 WeakPolarHBondContact O-CD2 3.34Å; M45-M53 HydrophobicContact CG-SD 4.27Å; M45-M53 HydrophobicContact SD-CE 3.92Å; M45-M53 HydrophobicContact SD-SD 3.4Å; M45-F70 HydrophobicContact CE-CD1 3.61Å; M45-F70 HydrophobicContact CE-CE1 4.03Å; M45-F70 HydrophobicContact CE-CG 4.34Å; M45-F70 HydrophobicContact SD-CD1 4.11Å; M45-F70 HydrophobicContact SD-CE1 4.09Å; M45-N72 WeakPolarHBondContact CE-O 3.49Å; M45-P74 HydrophobicContact CE-CB 4.31Å; M45-P74 VanDerWaalsContact CE-CD 3.44Å; M45-P74 HydrophobicContact CE-CG 3.49Å; M45-P74 VanDerWaalsContact CE-CG 3.49Å; M45-P74 HydrophobicContact SD-CG 4.19Å
46	Q	47.1	Very low	74.2	Confident	109 Å²	109	69.8 Å²	69.8	51%	0.509	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-71.4	-16.8	-178.8	-61.6	178.4	-4.1	0	0	115	E44	E44-Q46 HydrophobicContact CB-CB 4.29Å; E44-Q46 PolarHBondContact O-N 2.82Å
47	E	54.3	Low	74.5	Confident	155 Å²	155	66.9 Å²	66.9	72%	0.724	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-97.4	-5	-178.4	-66.9	-169	165.7	0	0	114.6	E44 M45	E44-E47 PolarHBondContact O-N 2.82Å; M45-E47 PolarHBondContact O-N 3.39Å
48	A	63.3	Low	74.8	Confident	62 Å²	62	69.1 Å²	69.1	51%	0.512	38%	0.378	S	S	.	.	S	Bend	trans	-100.2	147.8	-176.7	0	0	0	0	0	112.4	L50	A48-L50 WeakPolarHBondContact O-CG 3.48Å; A48-L50 PolarHBondContact O-N 3.44Å
49	N	77.8	Confident	75.2	Confident	103 Å²	103	69 Å²	69	55%	0.551	37%	0.37	S	S	*	.			trans	-60.1	119.1	164.6	-176.1	-33.3	0	0	0	108.5	T51	N49-T51 WeakPolarHBondContact OD1-CB 3.28Å; N49-T51 PolarHBondContact OD1-N 3.14Å; N49-T51 PolarHBondContact OD1-OG1 2.53Å
50	L	88.8	Confident	75.6	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.037	35%	0.349	C	S	.	.			trans	-88	-2.8	-173.6	-59.3	-177.3	0	0	0	113.7	M45 A48 S52 M53 V54 P74 L79 A82	M45-L50 HydrophobicContact CG-CD2 3.96Å; M45-L50 WeakPolarHBondContact O-CD2 3.34Å; A48-L50 WeakPolarHBondContact O-CG 3.48Å; A48-L50 PolarHBondContact O-N 3.44Å; L50-S52 PolarHBondContact O-N 3.3Å; L50-M53 HydrophobicContact CB-CE 4.17Å; L50-M53 HydrophobicContact CD1-CE 4.23Å; L50-M53 HydrophobicContact CD2-CE 3.82Å; L50-M53 HydrophobicContact CD2-SD 4.35Å; L50-M53 HydrophobicContact CG-CE 4.3Å; L50-M53 WeakPolarHBondContact O-CA 3.17Å; L50-M53 WeakPolarHBondContact O-CB 3.31Å; L50-M53 PolarHBondContact O-N 3.3Å; L50-V54 HydrophobicContact CB-CG2 4.33Å; L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 3.25Å; L50-P74 HydrophobicContact CD1-CB 3.45Å; L50-P74 VanDerWaalsContact CD1-CB 3.45Å; L50-P74 HydrophobicContact CD1-CG 3.73Å; L50-L79 HydrophobicContact CD1-CD2 4.14Å; L50-L79 HydrophobicContact CD1-CG 4.35Å; L50-A82 HydrophobicContact CB-CB 3.94Å
51	T	92.5	Very high	76.2	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-55.2	-49.4	-172.1	-52.3	0	0	0	0	111.9	N49 M53 V54 L55 D85 L86 P112	N49-T51 WeakPolarHBondContact OD1-CB 3.28Å; N49-T51 PolarHBondContact OD1-N 3.14Å; N49-T51 PolarHBondContact OD1-OG1 2.53Å; T51-M53 VanDerWaalsContact C-N 3.33Å; T51-M53 PolarHBondContact O-N 3.04Å; T51-V54 PolarHBondContact O-N 3.4Å; T51-L55 PolarHBondContact O-N 3.32Å; T51-D85 HydrophobicContact CG2-CB 4.05Å; T51-L86 HydrophobicContact CG2-CD2 3.64Å; T51-L86 HydrophobicContact CG2-CG 3.66Å; T51-P112 HydrophobicContact CG2-CB 4.08Å; T51-P112 HydrophobicContact CG2-CG 3.78Å
52	S	92.3	Very high	76.9	Confident	38 Å²	38	64.5 Å²	64.5	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-38	178.1	-42.9	0	0	0	0	112.1	L50 F56 D111 P112	L50-S52 PolarHBondContact O-N 3.3Å; S52-F56 WeakPolarHBondContact O-CB 3.08Å; S52-F56 PolarHBondContact O-N 3.02Å; S52-F56 VanDerWaalsContact O-N 3.12Å; S52-D111 PolarHBondContact OG-OD1 3.1Å; S52-P112 WeakPolarHBondContact OG-CD 3.3Å
53	M	90	Very high	77.5	Confident	49 Å²	49	63.2 Å²	63.2	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-68.4	-44.2	177.1	-177	-170	75.8	0	0	111.9	M45 L50 T51 F56 M57 F70 P74	M45-M53 HydrophobicContact CG-SD 4.27Å; M45-M53 HydrophobicContact SD-CE 3.92Å; M45-M53 HydrophobicContact SD-SD 3.4Å; L50-M53 HydrophobicContact CB-CE 4.17Å; L50-M53 HydrophobicContact CD1-CE 4.23Å; L50-M53 HydrophobicContact CD2-CE 3.82Å; L50-M53 HydrophobicContact CD2-SD 4.35Å; L50-M53 HydrophobicContact CG-CE 4.3Å; L50-M53 WeakPolarHBondContact O-CA 3.17Å; L50-M53 WeakPolarHBondContact O-CB 3.31Å; L50-M53 PolarHBondContact O-N 3.3Å; T51-M53 VanDerWaalsContact C-N 3.33Å; T51-M53 PolarHBondContact O-N 3.04Å; M53-F56 WeakPolarHBondContact O-CB 3.29Å; M53-F56 PolarHBondContact O-N 3.07Å; M53-M57 HydrophobicContact CE-SD 4.29Å; M53-M57 HydrophobicContact CG-SD 4.32Å; M53-M57 WeakPolarHBondContact O-CG 3.45Å; M53-M57 PolarHBondContact O-N 3.42Å; M53-F70 HydrophobicContact CE-CE1 3.53Å; M53-F70 HydrophobicContact CE-CZ 3.78Å; M53-F70 HydrophobicContact SD-CE1 3.99Å; M53-P74 HydrophobicContact CE-CG 4.23Å
54	V	92.1	Very high	78.2	Confident	10 Å²	10	61.9 Å²	61.9	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-41.3	179.3	172.8	0	0	0	0	110.7	L50 T51 F56 M57 K58 L79 A82 L83 L86	L50-V54 HydrophobicContact CB-CG2 4.33Å; L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 3.25Å; T51-V54 PolarHBondContact O-N 3.4Å; V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 PolarHBondContact O-N 2.95Å; V54-M57 PolarHBondContact O-N 2.95Å; V54-K58 HydrophobicContact CG1-CG 4.47Å; V54-K58 WeakPolarHBondContact O-CB 3.17Å; V54-K58 WeakPolarHBondContact O-CG 3.38Å; V54-K58 PolarHBondContact O-N 3.38Å; V54-L79 HydrophobicContact CG2-CD2 3.86Å; V54-A82 HydrophobicContact CB-CB 4.27Å; V54-A82 HydrophobicContact CG2-CB 3.77Å; V54-L83 HydrophobicContact CG1-CD2 3.68Å; V54-L83 HydrophobicContact CG1-CG 4.2Å; V54-L86 HydrophobicContact CB-CD1 4.06Å; V54-L86 HydrophobicContact CG1-CD1 3.72Å
55	L	94.1	Very high	78.7	Confident	7 Å²	7	65 Å²	65	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-57.4	-47.9	173.4	-179.4	60.3	0	0	0	111.2	T51 K58 R59 L86 L98 M105 P112	T51-L55 PolarHBondContact O-N 3.32Å; L55-K58 PolarHBondContact O-N 2.86Å; L55-R59 PolarHBondContact O-N 2.91Å; L55-L86 HydrophobicContact CB-CD1 4.16Å; L55-L86 HydrophobicContact CB-CD2 4.02Å; L55-L86 HydrophobicContact CD1-CD2 4.27Å; L55-L86 HydrophobicContact CD2-CD2 4.49Å; L55-L86 HydrophobicContact CG-CD2 4.49Å; L55-L98 HydrophobicContact CD1-CD2 3.63Å; L55-M105 HydrophobicContact CD2-CB 4.18Å; L55-P112 HydrophobicContact CB-CG 4.48Å; L55-P112 HydrophobicContact CD2-CB 4.33Å; L55-P112 HydrophobicContact CD2-CG 3.84Å
56	F	90.7	Very high	79	Confident	126 Å²	126	64.3 Å²	64.3	55%	0.553	36%	0.363	S	S	*	.	H	α-helix	trans	-61.7	-44.2	177.8	177.4	-106.4	0	0	0	112.6	S52 M53 V54 K58 R59 I60	S52-F56 WeakPolarHBondContact O-CB 3.08Å; S52-F56 PolarHBondContact O-N 3.02Å; S52-F56 VanDerWaalsContact O-N 3.12Å; M53-F56 WeakPolarHBondContact O-CB 3.29Å; M53-F56 PolarHBondContact O-N 3.07Å; V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 PolarHBondContact O-N 2.95Å; F56-K58 PolarHBondContact O-N 2.89Å; F56-R59 WeakPolarHBondContact O-CB 3.26Å; F56-R59 PolarHBondContact O-N 3.26Å; F56-I60 HydrophobicContact CD1-CD1 3.9Å; F56-I60 HydrophobicContact CE1-CD1 3.24Å; F56-I60 HydrophobicContact CE1-CG1 4.23Å; F56-I60 HydrophobicContact CE2-CD1 4.1Å; F56-I60 HydrophobicContact CE2-CG1 4.38Å; F56-I60 HydrophobicContact CZ-CD1 3.38Å; F56-I60 HydrophobicContact CZ-CG1 4.13Å; F56-I60 PolarHBondContact O-N 2.86Å
57	M	88.8	Confident	79.9	Confident	43 Å²	43	66.3 Å²	66.3	21%	0.212	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-43.4	177.2	-73.6	-179.7	75.5	0	0	112.3	M53 V54 R59 I60 D61 C68 F70	M53-M57 HydrophobicContact CE-SD 4.29Å; M53-M57 HydrophobicContact CG-SD 4.32Å; M53-M57 WeakPolarHBondContact O-CG 3.45Å; M53-M57 PolarHBondContact O-N 3.42Å; V54-M57 PolarHBondContact O-N 2.95Å; M57-R59 VanDerWaalsContact C-N 3.27Å; M57-R59 PolarHBondContact O-N 3.35Å; M57-I60 PolarHBondContact O-N 3.44Å; M57-D61 PolarHBondContact O-N 3.19Å; M57-C68 HydrophobicContact CE-CB 3.74Å; M57-F70 HydrophobicContact CE-CD2 4.44Å; M57-F70 HydrophobicContact CE-CE1 3.85Å; M57-F70 HydrophobicContact CE-CE2 3.68Å; M57-F70 HydrophobicContact CE-CZ 3.36Å; M57-F70 HydrophobicContact SD-CE1 3.51Å; M57-F70 VanDerWaalsContact SD-CE1 3.51Å; M57-F70 HydrophobicContact SD-CE2 4.13Å; M57-F70 HydrophobicContact SD-CZ 3.21Å; M57-F70 WeakPolarHBondContact SD-CZ 3.29Å
58	K	90.1	Very high	80.4	Confident	56 Å²	56	61.9 Å²	61.9	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-37.4	175	-76.6	-81.3	-178.6	173.9	0	111.7	V54 L55 F56 D61 I62 G96 L98	V54-K58 HydrophobicContact CG1-CG 4.47Å; V54-K58 WeakPolarHBondContact O-CB 3.17Å; V54-K58 WeakPolarHBondContact O-CG 3.38Å; V54-K58 PolarHBondContact O-N 3.38Å; L55-K58 PolarHBondContact O-N 2.86Å; F56-K58 PolarHBondContact O-N 2.89Å; K58-D61 PolarHBondContact O-N 2.93Å; K58-I62 WeakPolarHBondContact O-CG1 3.43Å; K58-I62 PolarHBondContact O-N 2.89Å; K58-G96 WeakPolarHBondContact CE-O 3.23Å; K58-G96 PolarHBondContact NZ-O 2.8Å; K58-L98 HydrophobicContact CB-CD1 4.25Å; K58-L98 HydrophobicContact CB-CD2 3.66Å; K58-L98 HydrophobicContact CB-CG 3.85Å; K58-L98 HydrophobicContact CG-CD2 4.43Å
59	R	90	Very high	80.7	Confident	70 Å²	70	64.9 Å²	64.9	26%	0.264	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-42.9	175.5	-177.1	58.9	165.8	172.9	-2.3	112.3	L55 F56 M57 I62 A63 L98 I103 S106 E107	L55-R59 PolarHBondContact O-N 2.91Å; F56-R59 WeakPolarHBondContact O-CB 3.26Å; F56-R59 PolarHBondContact O-N 3.26Å; M57-R59 VanDerWaalsContact C-N 3.27Å; M57-R59 PolarHBondContact O-N 3.35Å; R59-I62 PolarHBondContact O-N 3.19Å; R59-A63 WeakPolarHBondContact O-CB 3.43Å; R59-A63 PolarHBondContact O-N 3.42Å; R59-L98 HydrophobicContact CB-CD1 4.02Å; R59-I103 VanDerWaalsContact NH1-CG2 3.27Å; R59-S106 WeakPolarHBondContact CD-OG 3.39Å; R59-S106 WeakPolarHBondContact CG-OG 3.24Å; R59-S106 PolarHBondContact NE-OG 3.11Å; R59-E107 IonicContact CZ-OE1 3.57Å; R59-E107 IonicContact NE-OE1 2.68Å; R59-E107 IonicContact NH2-OE1 3.39Å; R59-E107 PolarHBondContact NH2-OE1 3.46Å
60	I	86.4	Confident	80.4	Confident	28 Å²	28	62.8 Å²	62.8	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-42.4	176.1	-75.7	-177.8	0	0	0	111.7	F56 M57 A63 G64 L65	F56-I60 HydrophobicContact CD1-CD1 3.9Å; F56-I60 HydrophobicContact CE1-CD1 3.24Å; F56-I60 HydrophobicContact CE1-CG1 4.23Å; F56-I60 HydrophobicContact CE2-CD1 4.1Å; F56-I60 HydrophobicContact CE2-CG1 4.38Å; F56-I60 HydrophobicContact CZ-CD1 3.38Å; F56-I60 HydrophobicContact CZ-CG1 4.13Å; F56-I60 PolarHBondContact O-N 2.86Å; M57-I60 PolarHBondContact O-N 3.44Å; I60-A63 CarbonylContact O-C 3.6Å; I60-A63 PolarHBondContact O-N 3.15Å; I60-A63 VanDerWaalsContact O-N 3.16Å; I60-G64 PolarHBondContact O-N 3.22Å; I60-L65 HydrophobicContact CG2-CB 3.86Å; I60-L65 PolarHBondContact O-N 2.86Å
61	D	81.8	Confident	79.7	Confident	98 Å²	98	71.2 Å²	71.2	52%	0.524	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-46.4	179.9	-165.8	32.7	0	0	0	110.8	M57 K58 A63 G64	M57-D61 PolarHBondContact O-N 3.19Å; K58-D61 PolarHBondContact O-N 2.93Å; D61-A63 VanDerWaalsContact C-N 3.32Å; D61-A63 PolarHBondContact O-N 3.44Å; D61-G64 PolarHBondContact O-N 3.2Å
62	I	76.9	Confident	78.8	Confident	88 Å²	88	75.6 Å²	75.6	45%	0.451	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-36.8	174.5	-68.1	167.9	0	0	0	112	K58 R59 G64 L98	K58-I62 WeakPolarHBondContact O-CG1 3.43Å; K58-I62 PolarHBondContact O-N 2.89Å; R59-I62 PolarHBondContact O-N 3.19Å; I62-G64 PolarHBondContact O-N 2.9Å; I62-G64 VanDerWaalsContact O-N 3.17Å; I62-L98 HydrophobicContact CD1-CB 3.55Å; I62-L98 HydrophobicContact CD1-CD1 3.79Å; I62-L98 HydrophobicContact CD1-CG 3.62Å
63	A	71.4	Confident	78	Confident	58 Å²	58	82.5 Å²	82.5	48%	0.479	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-4	176.7	0	0	0	0	0	113.4	R59 I60 D61 L65	R59-A63 WeakPolarHBondContact O-CB 3.43Å; R59-A63 PolarHBondContact O-N 3.42Å; I60-A63 CarbonylContact O-C 3.6Å; I60-A63 PolarHBondContact O-N 3.15Å; I60-A63 VanDerWaalsContact O-N 3.16Å; D61-A63 VanDerWaalsContact C-N 3.32Å; D61-A63 PolarHBondContact O-N 3.44Å; A63-L65 HydrophobicContact CB-CD1 3.9Å; A63-L65 HydrophobicContact CB-CG 3.93Å; A63-L65 PolarHBondContact O-N 2.87Å
64	G	70.1	Confident	77.6	Confident	65 Å²	65	80.3 Å²	80.3	67%	0.67	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	19.3	179.7	0	0	0	0	0	113.4	I60 D61 I62 G66	I60-G64 PolarHBondContact O-N 3.22Å; D61-G64 PolarHBondContact O-N 3.2Å; I62-G64 PolarHBondContact O-N 2.9Å; I62-G64 VanDerWaalsContact O-N 3.17Å; G64-G66 PolarHBondContact O-N 3.07Å
65	L	62.2	Low	77.2	Confident	138 Å²	138	81.2 Å²	81.2	72%	0.723	43%	0.434	S	S	*	.			trans	-80	2.7	-175.8	-70.6	174.1	0	0	0	113.2	I60 A63	I60-L65 HydrophobicContact CG2-CB 3.86Å; I60-L65 PolarHBondContact O-N 2.86Å; A63-L65 HydrophobicContact CB-CD1 3.9Å; A63-L65 HydrophobicContact CB-CG 3.93Å; A63-L65 PolarHBondContact O-N 2.87Å
66	G	59.3	Low	76.8	Confident	41 Å²	41	84.4 Å²	84.4	42%	0.423	46%	0.455	S	S	.	.			trans	111	165.9	172.4	0	0	0	0	0	114.2	G64 C68	G64-G66 PolarHBondContact O-N 3.07Å; G66-C68 PolarHBondContact O-N 3.27Å
67	H	64.9	Low	76.7	Confident	151 Å²	151	84.5 Å²	84.5	70%	0.699	46%	0.458	S	S	*	.			trans	-76.3	116.8	176	-168.4	65.8	0	0	0	109.9	D69	H67-D69 IonicContact CD2-OD1 2.86Å; H67-D69 PolarHBondContact CD2-OD1 3.23Å; H67-D69 IonicContact NE2-OD1 3.85Å; H67-D69 PolarHBondContact O-N 3.13Å
68	C	65.9	Low	76.6	Confident	62 Å²	62	84.4 Å²	84.4	42%	0.419	46%	0.461	S	S	.	.			trans	-77.9	103.1	173.8	-93.1	0	0	0	0	110.5	M57 G66	M57-C68 HydrophobicContact CE-CB 3.74Å; G66-C68 PolarHBondContact O-N 3.27Å
69	D	69.9	Low	76.5	Confident	125 Å²	125	83.4 Å²	83.4	67%	0.668	46%	0.458	S	S	*	.			trans	-78.2	124.6	168.4	-74.6	-37	0	0	0	110.7	H67 M71	H67-D69 IonicContact CD2-OD1 2.86Å; H67-D69 PolarHBondContact CD2-OD1 3.23Å; H67-D69 IonicContact NE2-OD1 3.85Å; H67-D69 PolarHBondContact O-N 3.13Å; D69-M71 PolarHBondContact O-N 3.07Å
70	F	70.8	Confident	76.5	Confident	59 Å²	59	85.6 Å²	85.6	26%	0.259	47%	0.473	S	S	.	.			trans	-70	126.7	173.3	-66.5	-73.1	0	0	0	110.8	M45 M53 M57 N72 R73 P74 L79	M45-F70 HydrophobicContact CE-CD1 3.61Å; M45-F70 HydrophobicContact CE-CE1 4.03Å; M45-F70 HydrophobicContact CE-CG 4.34Å; M45-F70 HydrophobicContact SD-CD1 4.11Å; M45-F70 HydrophobicContact SD-CE1 4.09Å; M53-F70 HydrophobicContact CE-CE1 3.53Å; M53-F70 HydrophobicContact CE-CZ 3.78Å; M53-F70 HydrophobicContact SD-CE1 3.99Å; M57-F70 HydrophobicContact CE-CD2 4.44Å; M57-F70 HydrophobicContact CE-CE1 3.85Å; M57-F70 HydrophobicContact CE-CE2 3.68Å; M57-F70 HydrophobicContact CE-CZ 3.36Å; M57-F70 HydrophobicContact SD-CE1 3.51Å; M57-F70 VanDerWaalsContact SD-CE1 3.51Å; M57-F70 HydrophobicContact SD-CE2 4.13Å; M57-F70 HydrophobicContact SD-CZ 3.21Å; M57-F70 WeakPolarHBondContact SD-CZ 3.29Å; F70-N72 VanDerWaalsContact C-N 3.27Å; F70-N72 PolarHBondContact O-N 3.27Å; F70-R73 HydrophobicContact CB-CB 4.34Å; F70-R73 HydrophobicContact CD2-CG 4.19Å; F70-P74 HydrophobicContact CE1-CG 4.21Å; F70-P74 HydrophobicContact CZ-CG 4.19Å; F70-L79 HydrophobicContact CZ-CD2 4.29Å
71	M	73.7	Confident	76.7	Confident	183 Å²	183	87.9 Å²	87.9	90%	0.901	48%	0.483	S	S	*	.	S	Bend	trans	-59.3	-40.1	170.1	-69.1	-62.9	-66	0	0	111.8	D69	D69-M71 PolarHBondContact O-N 3.07Å
72	N	73.4	Confident	77.3	Confident	93 Å²	93	83.3 Å²	83.3	50%	0.497	46%	0.458	S	S	.	.	S	Bend	trans	-132	109.5	169.8	-67.9	-47.8	0	0	0	107.5	M45 F70	M45-N72 WeakPolarHBondContact CE-O 3.49Å; F70-N72 VanDerWaalsContact C-N 3.27Å; F70-N72 PolarHBondContact O-N 3.27Å
73	R	76.2	Confident	78.1	Confident	182 Å²	182	82.2 Å²	82.2	69%	0.687	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-64.5	133.6	-177.6	-168.8	176.4	-74	-169.8	-4.7	110.3	F70	F70-R73 HydrophobicContact CB-CB 4.34Å; F70-R73 HydrophobicContact CD2-CG 4.19Å
74	P	82.2	Confident	79.2	Confident	3 Å²	3	82.3 Å²	82.3	2%	0.019	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-63.7	165	171.7	-1.1	11.1	0	0	0	111.3	M45 L50 M53 F70 L79	M45-P74 HydrophobicContact CE-CB 4.31Å; M45-P74 VanDerWaalsContact CE-CD 3.44Å; M45-P74 HydrophobicContact CE-CG 3.49Å; M45-P74 VanDerWaalsContact CE-CG 3.49Å; M45-P74 HydrophobicContact SD-CG 4.19Å; L50-P74 HydrophobicContact CD1-CB 3.45Å; L50-P74 VanDerWaalsContact CD1-CB 3.45Å; L50-P74 HydrophobicContact CD1-CG 3.73Å; M53-P74 HydrophobicContact CE-CG 4.23Å; F70-P74 HydrophobicContact CE1-CG 4.21Å; F70-P74 HydrophobicContact CZ-CG 4.19Å; P74-L79 HydrophobicContact CB-CG 4.26Å; P74-L79 HydrophobicContact CG-CD1 4.18Å; P74-L79 HydrophobicContact CG-CD2 4.04Å; P74-L79 HydrophobicContact CG-CG 4.04Å
75	A	83.6	Confident	80.4	Confident	30 Å²	30	80.1 Å²	80.1	25%	0.248	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-57.5	135	173	0	0	0	0	0	110	E77 S78 L79	A75-E77 PolarHBondContact O-N 3.44Å; A75-E77 VanDerWaalsContact O-N 3.17Å; A75-S78 PolarHBondContact O-N 2.97Å; A75-L79 PolarHBondContact O-N 3.26Å
76	P	85.6	Confident	82	Confident	73 Å²	73	73.5 Å²	73.5	47%	0.474	38%	0.382	S	S	.	.	H	α-helix	trans	-52.8	-36.1	178.1	-27.3	35.1	0	0	0	113	L79 M80	P76-L79 PolarHBondContact O-N 3.23Å; P76-M80 HydrophobicContact CB-CE 3.8Å; P76-M80 WeakPolarHBondContact O-CB 3.11Å; P76-M80 WeakPolarHBondContact O-CE 3.49Å; P76-M80 WeakPolarHBondContact O-CG 3.5Å; P76-M80 PolarHBondContact O-N 2.75Å
77	E	87.9	Confident	83.7	Confident	129 Å²	129	74.5 Å²	74.5	60%	0.603	38%	0.378	S	S	*	.	H	α-helix	trans	-62.9	-42.7	178.6	-61	73.5	-160.4	0	0	111.6	A75 L79 M80 Q81	A75-E77 PolarHBondContact O-N 3.44Å; A75-E77 VanDerWaalsContact O-N 3.17Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.95Å; E77-M80 PolarHBondContact O-N 3.16Å; E77-Q81 PolarHBondContact O-N 2.78Å
78	S	86.9	Confident	85.2	Confident	40 Å²	40	68.1 Å²	68.1	28%	0.28	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-35.8	177.5	-53.5	0	0	0	0	112.4	A75 A82	A75-S78 PolarHBondContact O-N 2.97Å; S78-A82 WeakPolarHBondContact O-CB 3.46Å; S78-A82 PolarHBondContact O-N 3.03Å; S78-A82 VanDerWaalsContact O-N 3.1Å
79	L	87.9	Confident	86.7	Confident	35 Å²	35	65.2 Å²	65.2	18%	0.183	33%	0.328	C	S	.	.	H	α-helix	trans	-69.3	-41.8	174.4	-75.9	171.4	0	0	0	111.6	L50 V54 F70 P74 A75 P76 E77 A82 L83	L50-L79 HydrophobicContact CD1-CD2 4.14Å; L50-L79 HydrophobicContact CD1-CG 4.35Å; V54-L79 HydrophobicContact CG2-CD2 3.86Å; F70-L79 HydrophobicContact CZ-CD2 4.29Å; P74-L79 HydrophobicContact CB-CG 4.26Å; P74-L79 HydrophobicContact CG-CD1 4.18Å; P74-L79 HydrophobicContact CG-CD2 4.04Å; P74-L79 HydrophobicContact CG-CG 4.04Å; A75-L79 PolarHBondContact O-N 3.26Å; P76-L79 PolarHBondContact O-N 3.23Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.95Å; L79-A82 PolarHBondContact O-N 3.49Å; L79-L83 WeakPolarHBondContact O-CG 3.47Å; L79-L83 PolarHBondContact O-N 3.27Å
80	M	89.9	Confident	88	Confident	116 Å²	116	61.2 Å²	61.2	57%	0.571	31%	0.312	S	S	*	.	H	α-helix	trans	-62.7	-43.8	175.6	-76.7	-175.8	-96.3	0	0	111.3	P76 E77 A82 L83 E84	P76-M80 HydrophobicContact CB-CE 3.8Å; P76-M80 WeakPolarHBondContact O-CB 3.11Å; P76-M80 WeakPolarHBondContact O-CE 3.49Å; P76-M80 WeakPolarHBondContact O-CG 3.5Å; P76-M80 PolarHBondContact O-N 2.75Å; E77-M80 PolarHBondContact O-N 3.16Å; M80-A82 VanDerWaalsContact C-N 3.35Å; M80-A82 PolarHBondContact O-N 2.99Å; M80-L83 PolarHBondContact O-N 3.37Å; M80-E84 WeakPolarHBondContact O-CB 3.36Å; M80-E84 PolarHBondContact O-N 3.42Å
81	Q	91	Very high	89.2	Confident	77 Å²	77	58.4 Å²	58.4	36%	0.36	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-44	175.2	-171.4	64.2	64.7	0	0	111.9	E77 L83 E84 D85	E77-Q81 PolarHBondContact O-N 2.78Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 2.84Å; Q81-E84 PolarHBondContact NE2-OE2 2.83Å; Q81-E84 PolarHBondContact O-N 3.09Å; Q81-D85 PolarHBondContact NE2-OD1 3.4Å; Q81-D85 WeakPolarHBondContact O-CB 3.46Å; Q81-D85 VanDerWaalsContact O-CG 3.26Å; Q81-D85 PolarHBondContact O-N 2.74Å
82	A	93.4	Very high	90.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-37.4	178.2	0	0	0	0	0	112.9	L50 V54 S78 L79 M80 L86	L50-A82 HydrophobicContact CB-CB 3.94Å; V54-A82 HydrophobicContact CB-CB 4.27Å; V54-A82 HydrophobicContact CG2-CB 3.77Å; S78-A82 WeakPolarHBondContact O-CB 3.46Å; S78-A82 PolarHBondContact O-N 3.03Å; S78-A82 VanDerWaalsContact O-N 3.1Å; L79-A82 PolarHBondContact O-N 3.49Å; M80-A82 VanDerWaalsContact C-N 3.35Å; M80-A82 PolarHBondContact O-N 2.99Å; A82-L86 WeakPolarHBondContact O-CB 3.4Å; A82-L86 VanDerWaalsContact O-CG 3.27Å; A82-L86 WeakPolarHBondContact O-CG 3.49Å; A82-L86 PolarHBondContact O-N 3.07Å; A82-L86 VanDerWaalsContact O-N 3.09Å
83	L	93.8	Very high	91.2	Very high	65 Å²	65	48.7 Å²	48.7	34%	0.34	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-41.1	174	-72.7	168.2	0	0	0	111.6	V54 L79 M80 Q81 L86 D87 L92	V54-L83 HydrophobicContact CG1-CD2 3.68Å; V54-L83 HydrophobicContact CG1-CG 4.2Å; L79-L83 WeakPolarHBondContact O-CG 3.47Å; L79-L83 PolarHBondContact O-N 3.27Å; M80-L83 PolarHBondContact O-N 3.37Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 2.84Å; L83-L86 PolarHBondContact O-N 2.85Å; L83-D87 WeakPolarHBondContact O-CB 3.47Å; L83-D87 PolarHBondContact O-N 3.41Å; L83-L92 HydrophobicContact CD2-CD1 3.94Å; L83-L92 WeakPolarHBondContact O-CD1 3.37Å
84	E	93.8	Very high	91.9	Very high	60 Å²	60	48.1 Å²	48.1	28%	0.28	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-45.2	175.9	-164.9	-169.2	-168.9	0	0	111.5	M80 Q81 L86 D87 Y88	M80-E84 WeakPolarHBondContact O-CB 3.36Å; M80-E84 PolarHBondContact O-N 3.42Å; Q81-E84 PolarHBondContact NE2-OE2 2.83Å; Q81-E84 PolarHBondContact O-N 3.09Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.1Å; E84-D87 WeakPolarHBondContact O-CB 3.34Å; E84-D87 PolarHBondContact O-N 3.48Å; E84-Y88 HydrophobicContact CG-CD2 4.14Å; E84-Y88 HydrophobicContact CG-CE2 3.5Å; E84-Y88 VanDerWaalsContact CG-CE2 3.5Å; E84-Y88 VanDerWaalsContact O-CD2 3.29Å; E84-Y88 WeakPolarHBondContact O-CD2 3.17Å; E84-Y88 PolarHBondContact O-N 2.96Å; E84-Y88 PolarHBondContact OE1-OH 3.3Å
85	D	95.3	Very high	92.2	Very high	19 Å²	19	54.7 Å²	54.7	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-40.4	176.3	-71.4	2.2	0	0	0	111.3	T51 Q81 Y88 L89 M250	T51-D85 HydrophobicContact CG2-CB 4.05Å; Q81-D85 PolarHBondContact NE2-OD1 3.4Å; Q81-D85 WeakPolarHBondContact O-CB 3.46Å; Q81-D85 VanDerWaalsContact O-CG 3.26Å; Q81-D85 PolarHBondContact O-N 2.74Å; D85-Y88 PolarHBondContact O-N 3.25Å; D85-L89 VanDerWaalsContact O-CG 3.26Å; D85-L89 WeakPolarHBondContact O-CG 3.21Å; D85-L89 PolarHBondContact O-N 2.77Å; D85-L89 VanDerWaalsContact O-N 3.11Å; D85-M250 HydrophobicContact CB-CE 4.38Å; D85-M250 HydrophobicContact CB-SD 4.41Å
86	L	96.8	Very high	92.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-38.4	175.4	-74	173.6	0	0	0	112.6	T51 V54 L55 A82 L83 E84 L89 A90 A91 L92 P112	T51-L86 HydrophobicContact CG2-CD2 3.64Å; T51-L86 HydrophobicContact CG2-CG 3.66Å; V54-L86 HydrophobicContact CB-CD1 4.06Å; V54-L86 HydrophobicContact CG1-CD1 3.72Å; L55-L86 HydrophobicContact CB-CD1 4.16Å; L55-L86 HydrophobicContact CB-CD2 4.02Å; L55-L86 HydrophobicContact CD1-CD2 4.27Å; L55-L86 HydrophobicContact CD2-CD2 4.49Å; L55-L86 HydrophobicContact CG-CD2 4.49Å; A82-L86 WeakPolarHBondContact O-CB 3.4Å; A82-L86 VanDerWaalsContact O-CG 3.27Å; A82-L86 WeakPolarHBondContact O-CG 3.49Å; A82-L86 PolarHBondContact O-N 3.07Å; A82-L86 VanDerWaalsContact O-N 3.09Å; L83-L86 PolarHBondContact O-N 2.85Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.1Å; L86-L89 PolarHBondContact O-N 2.78Å; L86-A90 PolarHBondContact O-N 3.44Å; L86-A91 HydrophobicContact CB-CB 4.2Å; L86-A91 HydrophobicContact CD2-CB 3.89Å; L86-A91 WeakPolarHBondContact O-CB 3.21Å; L86-A91 PolarHBondContact O-N 3.4Å; L86-L92 HydrophobicContact CB-CD1 3.98Å; L86-L92 HydrophobicContact CB-CD2 4.47Å; L86-L92 HydrophobicContact CB-CG 3.9Å; L86-P112 HydrophobicContact CD2-CB 3.99Å; L86-P112 HydrophobicContact CD2-CG 4.06Å
87	D	95.8	Very high	92.7	Very high	62 Å²	62	54.7 Å²	54.7	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-46.2	173.6	-175.4	62.7	0	0	0	111	L83 E84 L89 A90 L92	L83-D87 WeakPolarHBondContact O-CB 3.47Å; L83-D87 PolarHBondContact O-N 3.41Å; E84-D87 WeakPolarHBondContact O-CB 3.34Å; E84-D87 PolarHBondContact O-N 3.48Å; D87-L89 PolarHBondContact O-N 3.2Å; D87-A90 WeakPolarHBondContact O-CA 3.31Å; D87-A90 PolarHBondContact O-N 2.94Å; D87-L92 HydrophobicContact CB-CD1 4.47Å
88	Y	95.9	Very high	93	Very high	16 Å²	16	49.1 Å²	49.1	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-35.9	174.5	-69.7	-40.6	0	0	0	113	E84 D85 A90 F249 M250 P318 Y320 Y321 N324	E84-Y88 HydrophobicContact CG-CD2 4.14Å; E84-Y88 HydrophobicContact CG-CE2 3.5Å; E84-Y88 VanDerWaalsContact CG-CE2 3.5Å; E84-Y88 VanDerWaalsContact O-CD2 3.29Å; E84-Y88 WeakPolarHBondContact O-CD2 3.17Å; E84-Y88 PolarHBondContact O-N 2.96Å; E84-Y88 PolarHBondContact OE1-OH 3.3Å; D85-Y88 PolarHBondContact O-N 3.25Å; Y88-A90 PolarHBondContact O-N 3.34Å; Y88-F249 WeakPolarHBondContact O-CZ 3.4Å; Y88-M250 HydrophobicContact CD2-SD 4.1Å; Y88-P318 WeakPolarHBondContact O-CG 3.42Å; Y88-Y320 AromaticContact CD1-CD1 3.87Å; Y88-Y320 HydrophobicContact CD1-CD1 3.87Å; Y88-Y320 HydrophobicContact CD1-CE1 4.43Å; Y88-Y320 AromaticContact CE1-CD1 3.33Å; Y88-Y320 HydrophobicContact CE1-CD1 3.33Å; Y88-Y320 AromaticContact CE1-CE1 3.67Å; Y88-Y320 HydrophobicContact CE1-CE1 3.67Å; Y88-Y320 HydrophobicContact CE1-CG 4.15Å; Y88-Y321 HydrophobicContact CD1-CD2 4.39Å; Y88-Y321 HydrophobicContact CD1-CG 4.5Å; Y88-Y321 AromaticContact CD2-CD2 3.87Å; Y88-Y321 HydrophobicContact CD2-CD2 3.87Å; Y88-Y321 HydrophobicContact CE1-CD2 4.35Å; Y88-Y321 AromaticContact CE2-CD2 3.87Å; Y88-Y321 HydrophobicContact CE2-CD2 3.87Å; Y88-Y321 HydrophobicContact CG-CD2 4.16Å; Y88-N324 WeakPolarHBondContact OH-CB 3.21Å; Y88-N324 PolarHBondContact OH-ND2 3.3Å
89	L	96.9	Very high	93.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.4	175.8	-67.5	168.6	0	0	0	113.3	D85 L86 D87 A91 M105 P112 Q113 K116 F249 M250	D85-L89 VanDerWaalsContact O-CG 3.26Å; D85-L89 WeakPolarHBondContact O-CG 3.21Å; D85-L89 PolarHBondContact O-N 2.77Å; D85-L89 VanDerWaalsContact O-N 3.11Å; L86-L89 PolarHBondContact O-N 2.78Å; D87-L89 PolarHBondContact O-N 3.2Å; L89-A91 PolarHBondContact O-N 3.28Å; L89-M105 HydrophobicContact CB-CE 4.32Å; L89-M105 HydrophobicContact CD1-CE 4.35Å; L89-P112 HydrophobicContact CD1-CB 3.69Å; L89-Q113 HydrophobicContact CD1-CG 4.29Å; L89-Q113 HydrophobicContact CD2-CG 4.44Å; L89-K116 HydrophobicContact CD2-CB 4.04Å; L89-K116 HydrophobicContact CD2-CG 4Å; L89-K116 WeakPolarHBondContact O-CD 3.42Å; L89-K116 WeakPolarHBondContact O-CE 3.27Å; L89-K116 PolarHBondContact O-NZ 3.19Å; L89-F249 HydrophobicContact CD2-CE1 3.93Å; L89-F249 HydrophobicContact CD2-CZ 4.23Å; L89-M250 HydrophobicContact CD1-CE 4.12Å; L89-M250 HydrophobicContact CD2-CE 4.01Å; L89-M250 HydrophobicContact CG-CE 3.91Å
90	A	96.3	Very high	93.7	Very high	41 Å²	41	54.2 Å²	54.2	34%	0.339	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	27.8	-170.8	0	0	0	0	0	112.9	L86 D87 Y88 L92 S99	L86-A90 PolarHBondContact O-N 3.44Å; D87-A90 WeakPolarHBondContact O-CA 3.31Å; D87-A90 PolarHBondContact O-N 2.94Å; Y88-A90 PolarHBondContact O-N 3.34Å; A90-L92 VanDerWaalsContact C-N 3.29Å; A90-S99 PolarHBondContact O-OG 3.32Å
91	A	97.2	Very high	93.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.			trans	-78.6	-18	174.5	0	0	0	0	0	111.9	L86 L89 L98 S99 G102 M105	L86-A91 HydrophobicContact CB-CB 4.2Å; L86-A91 HydrophobicContact CD2-CB 3.89Å; L86-A91 WeakPolarHBondContact O-CB 3.21Å; L86-A91 PolarHBondContact O-N 3.4Å; L89-A91 PolarHBondContact O-N 3.28Å; A91-L98 WeakPolarHBondContact O-CA 3.27Å; A91-S99 PolarHBondContact O-N 3.07Å; A91-S99 PolarHBondContact O-OG 3.38Å; A91-G102 WeakPolarHBondContact O-CA 3.1Å; A91-M105 HydrophobicContact CB-CE 3.96Å; A91-M105 HydrophobicContact CB-SD 4Å
92	L	95.9	Very high	94.2	Very high	16 Å²	16	49 Å²	49	8%	0.084	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-109.1	153.4	174.7	-54.6	-179.9	0	0	0	111.3	L83 L86 D87 A90 N97 L98	L83-L92 HydrophobicContact CD2-CD1 3.94Å; L83-L92 WeakPolarHBondContact O-CD1 3.37Å; L86-L92 HydrophobicContact CB-CD1 3.98Å; L86-L92 HydrophobicContact CB-CD2 4.47Å; L86-L92 HydrophobicContact CB-CG 3.9Å; D87-L92 HydrophobicContact CB-CD1 4.47Å; A90-L92 VanDerWaalsContact C-N 3.29Å; L92-N97 CarbonylContact C-O 3.57Å; L92-N97 WeakPolarHBondContact CA-O 3.35Å; L92-L98 HydrophobicContact CD2-CD2 3.98Å
93	D	93.4	Very high	94.3	Very high	56 Å²	56	51.7 Å²	51.7	30%	0.299	28%	0.276	S	S	.	.			trans	-90.6	177.4	166.5	68.1	18.6	0	0	0	111.7	D95 G96 N97	D93-D95 PolarHBondContact O-N 3.14Å; D93-D95 VanDerWaalsContact O-N 3.11Å; D93-D95 WeakPolarHBondContact OD1-CA 3.28Å; D93-D95 PolarHBondContact OD1-N 2.85Å; D93-G96 PolarHBondContact O-N 2.94Å; D93-G96 PolarHBondContact OD1-N 2.79Å; D93-N97 PolarHBondContact N-O 3.04Å; D93-N97 PolarHBondContact OD1-N 2.81Å
94	N	89.6	Confident	94.4	Very high	171 Å²	171	50.5 Å²	50.5	91%	0.914	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.2	-178.5	-62.9	-39.6	0	0	0	113.9
95	D	89.3	Confident	94.5	Very high	141 Å²	141	47.7 Å²	47.7	75%	0.754	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.4	177.2	-64	-50.7	0	0	0	111.7	D93	D93-D95 PolarHBondContact O-N 3.14Å; D93-D95 VanDerWaalsContact O-N 3.11Å; D93-D95 WeakPolarHBondContact OD1-CA 3.28Å; D93-D95 PolarHBondContact OD1-N 2.85Å
96	G	87.3	Confident	94.5	Very high	23 Å²	23	48.1 Å²	48.1	24%	0.237	26%	0.261	C	S	.	.	S	Bend	trans	79.3	15.8	-179.4	0	0	0	0	0	114.3	K58 D93	K58-G96 WeakPolarHBondContact CE-O 3.23Å; K58-G96 PolarHBondContact NZ-O 2.8Å; D93-G96 PolarHBondContact O-N 2.94Å; D93-G96 PolarHBondContact OD1-N 2.79Å
97	N	91.8	Very high	94.4	Very high	80 Å²	80	50.9 Å²	50.9	43%	0.428	27%	0.274	S	S	.	.	S	Bend	trans	-88.1	169.2	171.4	-54.2	-61.2	0	0	0	110.6	L92 D93 S99	L92-N97 CarbonylContact C-O 3.57Å; L92-N97 WeakPolarHBondContact CA-O 3.35Å; D93-N97 PolarHBondContact N-O 3.04Å; D93-N97 PolarHBondContact OD1-N 2.81Å; N97-S99 PolarHBondContact O-N 2.93Å
98	L	94.9	Very high	94.4	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.058	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-66.8	128.8	174.4	-65.4	-173.1	0	0	0	110.4	L55 K58 R59 I62 A91 L92 I103	L55-L98 HydrophobicContact CD1-CD2 3.63Å; K58-L98 HydrophobicContact CB-CD1 4.25Å; K58-L98 HydrophobicContact CB-CD2 3.66Å; K58-L98 HydrophobicContact CB-CG 3.85Å; K58-L98 HydrophobicContact CG-CD2 4.43Å; R59-L98 HydrophobicContact CB-CD1 4.02Å; I62-L98 HydrophobicContact CD1-CB 3.55Å; I62-L98 HydrophobicContact CD1-CD1 3.79Å; I62-L98 HydrophobicContact CD1-CG 3.62Å; A91-L98 WeakPolarHBondContact O-CA 3.27Å; L92-L98 HydrophobicContact CD2-CD2 3.98Å; L98-I103 HydrophobicContact CB-CG1 3.97Å; L98-I103 HydrophobicContact CD1-CG1 4.31Å
99	S	96.2	Very high	94.4	Very high	21 Å²	21	52.2 Å²	52.2	15%	0.147	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-71.8	172.7	166.7	74.3	0	0	0	0	110.8	A90 A91 N97 F101 G102 I103	A90-S99 PolarHBondContact O-OG 3.32Å; A91-S99 PolarHBondContact O-N 3.07Å; A91-S99 PolarHBondContact O-OG 3.38Å; N97-S99 PolarHBondContact O-N 2.93Å; S99-F101 PolarHBondContact O-N 2.76Å; S99-F101 PolarHBondContact OG-N 2.97Å; S99-G102 PolarHBondContact O-N 3.3Å; S99-G102 VanDerWaalsContact O-N 3.09Å; S99-G102 PolarHBondContact OG-N 3.24Å; S99-I103 WeakPolarHBondContact O-CG1 3.48Å; S99-I103 PolarHBondContact O-N 2.95Å
100	E	93.7	Very high	94.3	Very high	162 Å²	162	53.1 Å²	53.1	76%	0.757	29%	0.292	S	S	*	.	H	α-helix	trans	-56.6	-41.4	170.6	-65.8	-178.8	173.3	0	0	111.5	I103 I104	E100-I103 PolarHBondContact O-N 2.91Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 2.91Å; E100-I104 VanDerWaalsContact O-N 3.07Å
101	F	94.4	Very high	94.2	Very high	84 Å²	84	55.3 Å²	55.3	37%	0.368	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-44.4	173.5	-66.4	-74.4	0	0	0	111.6	S99 I103 I104 M105 L119	S99-F101 PolarHBondContact O-N 2.76Å; S99-F101 PolarHBondContact OG-N 2.97Å; F101-I103 VanDerWaalsContact C-N 3.32Å; F101-I103 PolarHBondContact O-N 2.83Å; F101-I104 PolarHBondContact O-N 2.9Å; F101-M105 WeakPolarHBondContact O-CB 3.29Å; F101-M105 WeakPolarHBondContact O-CG 3.49Å; F101-M105 PolarHBondContact O-N 3.28Å; F101-L119 HydrophobicContact CD1-CD1 4.31Å
102	G	96.3	Very high	94.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-39.7	177.8	0	0	0	0	0	113	A91 S99 M105 S106	A91-G102 WeakPolarHBondContact O-CA 3.1Å; S99-G102 PolarHBondContact O-N 3.3Å; S99-G102 VanDerWaalsContact O-N 3.09Å; S99-G102 PolarHBondContact OG-N 3.24Å; G102-M105 PolarHBondContact O-N 3.4Å; G102-S106 WeakPolarHBondContact O-CB 3.41Å; G102-S106 PolarHBondContact O-N 3.39Å
103	I	95.5	Very high	94.3	Very high	57 Å²	57	55.3 Å²	55.3	29%	0.292	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-50.9	173.8	-74.5	167.6	0	0	0	110.5	R59 L98 S99 E100 F101 S106	R59-I103 VanDerWaalsContact NH1-CG2 3.27Å; L98-I103 HydrophobicContact CB-CG1 3.97Å; L98-I103 HydrophobicContact CD1-CG1 4.31Å; S99-I103 WeakPolarHBondContact O-CG1 3.48Å; S99-I103 PolarHBondContact O-N 2.95Å; E100-I103 PolarHBondContact O-N 2.91Å; F101-I103 VanDerWaalsContact C-N 3.32Å; F101-I103 PolarHBondContact O-N 2.83Å; I103-S106 PolarHBondContact O-N 3.18Å; I103-S106 PolarHBondContact O-OG 3.01Å
104	I	95.8	Very high	94.5	Very high	40 Å²	40	52.9 Å²	52.9	21%	0.205	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-41.4	-178.5	-59.4	166	0	0	0	110.7	E100 F101 S106 E107 F108 L119 I222 L224	E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 2.91Å; E100-I104 VanDerWaalsContact O-N 3.07Å; F101-I104 PolarHBondContact O-N 2.9Å; I104-S106 PolarHBondContact O-N 2.99Å; I104-E107 WeakPolarHBondContact O-CB 3.49Å; I104-E107 PolarHBondContact O-N 3.19Å; I104-E107 VanDerWaalsContact O-N 3.07Å; I104-F108 HydrophobicContact CG2-CE2 4.22Å; I104-F108 WeakPolarHBondContact O-CD2 3.39Å; I104-L119 HydrophobicContact CB-CD1 4.22Å; I104-L119 HydrophobicContact CB-CD2 4.43Å; I104-L119 HydrophobicContact CG2-CD1 4.15Å; I104-L119 HydrophobicContact CG2-CD2 3.53Å; I104-L119 HydrophobicContact CG2-CG 4.46Å; I104-I222 HydrophobicContact CG2-CD1 4.48Å; I104-I222 HydrophobicContact CG2-CG2 4.35Å; I104-L224 HydrophobicContact CG2-CD1 3.93Å
105	M	96.8	Very high	94.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-38.3	175.7	-74.7	170	55.1	0	0	111.8	L55 L89 A91 F101 G102 E107 F108 P112 K116 L119	L55-M105 HydrophobicContact CD2-CB 4.18Å; L89-M105 HydrophobicContact CB-CE 4.32Å; L89-M105 HydrophobicContact CD1-CE 4.35Å; A91-M105 HydrophobicContact CB-CE 3.96Å; A91-M105 HydrophobicContact CB-SD 4Å; F101-M105 WeakPolarHBondContact O-CB 3.29Å; F101-M105 WeakPolarHBondContact O-CG 3.49Å; F101-M105 PolarHBondContact O-N 3.28Å; G102-M105 PolarHBondContact O-N 3.4Å; M105-E107 PolarHBondContact O-N 3.29Å; M105-F108 PolarHBondContact O-N 2.92Å; M105-P112 HydrophobicContact CE-CB 3.66Å; M105-P112 VanDerWaalsContact CE-O 3.26Å; M105-P112 WeakPolarHBondContact CE-O 3.4Å; M105-K116 HydrophobicContact CE-CB 4.26Å; M105-K116 HydrophobicContact SD-CB 4.24Å; M105-K116 HydrophobicContact SD-CD 4.25Å; M105-L119 HydrophobicContact CG-CD1 3.54Å
106	S	95.4	Very high	95.3	Very high	28 Å²	28	39.4 Å²	39.4	20%	0.196	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.1	-179.7	76.6	0	0	0	0	114.8	R59 G102 I103 I104	R59-S106 WeakPolarHBondContact CD-OG 3.39Å; R59-S106 WeakPolarHBondContact CG-OG 3.24Å; R59-S106 PolarHBondContact NE-OG 3.11Å; G102-S106 WeakPolarHBondContact O-CB 3.41Å; G102-S106 PolarHBondContact O-N 3.39Å; I103-S106 PolarHBondContact O-N 3.18Å; I103-S106 PolarHBondContact O-OG 3.01Å; I104-S106 PolarHBondContact O-N 2.99Å
107	E	94.9	Very high	95.8	Very high	59 Å²	59	38.3 Å²	38.3	28%	0.276	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.9	175.4	-66	-65.7	136.4	0	0	112.9	R59 I104 M105 I218 R221 I222	R59-E107 IonicContact CZ-OE1 3.57Å; R59-E107 IonicContact NE-OE1 2.68Å; R59-E107 IonicContact NH2-OE1 3.39Å; R59-E107 PolarHBondContact NH2-OE1 3.46Å; I104-E107 WeakPolarHBondContact O-CB 3.49Å; I104-E107 PolarHBondContact O-N 3.19Å; I104-E107 VanDerWaalsContact O-N 3.07Å; M105-E107 PolarHBondContact O-N 3.29Å; E107-I218 HydrophobicContact CB-CG2 4.38Å; E107-R221 IonicContact OE2-CZ 3.3Å; E107-R221 IonicContact OE2-NH2 3.6Å; E107-R221 PolarHBondContact OE2-NH2 3.21Å; E107-I222 HydrophobicContact CB-CD1 3.49Å; E107-I222 VanDerWaalsContact CB-CD1 3.49Å; E107-I222 HydrophobicContact CG-CD1 3.69Å
108	F	95.9	Very high	96.1	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.039	18%	0.179	C	C	.	.	S	Bend	trans	-87.2	133.6	177.7	-63.6	-80.5	0	0	0	110.6	I104 M105 L110 S115 I118 L119 L215 I218 I219 L224	I104-F108 HydrophobicContact CG2-CE2 4.22Å; I104-F108 WeakPolarHBondContact O-CD2 3.39Å; M105-F108 PolarHBondContact O-N 2.92Å; F108-L110 HydrophobicContact CB-CB 4.36Å; F108-L110 HydrophobicContact CB-CD1 4.43Å; F108-L110 HydrophobicContact CB-CG 4.36Å; F108-L110 PolarHBondContact O-N 2.93Å; F108-S115 WeakPolarHBondContact CB-OG 3.2Å; F108-I118 HydrophobicContact CE1-CG2 4.18Å; F108-I118 HydrophobicContact CZ-CG2 4.04Å; F108-L119 HydrophobicContact CE2-CD2 4.05Å; F108-L215 HydrophobicContact CD1-CD2 3.9Å; F108-I218 HydrophobicContact CD1-CB 4.33Å; F108-I218 HydrophobicContact CD1-CD1 4.3Å; F108-I218 HydrophobicContact CD1-CG2 3.78Å; F108-I218 HydrophobicContact CE1-CB 4.07Å; F108-I218 HydrophobicContact CE1-CG2 3.52Å; F108-I218 HydrophobicContact CG-CG2 4.43Å; F108-I218 HydrophobicContact CZ-CG2 3.96Å; F108-I219 HydrophobicContact CE1-CD1 4.09Å; F108-I219 HydrophobicContact CE1-CG1 4.25Å; F108-I219 HydrophobicContact CZ-CD1 3.76Å; F108-I219 HydrophobicContact CZ-CG1 4.37Å; F108-L224 HydrophobicContact CZ-CD1 4.24Å
109	P	94.2	Very high	96.3	Very high	96 Å²	96	34.6 Å²	34.6	62%	0.623	18%	0.179	S	C	*	.	S	Bend	trans	-79.3	47.8	175.2	35.3	-36.9	0	0	0	111.4
110	L	95.3	Very high	96.3	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.11	18%	0.175	C	C	.	.	S	Bend	trans	-132.6	165.4	-172.7	-60.6	178.3	0	0	0	111	F108 L114 I118 A134 T138 L215	F108-L110 HydrophobicContact CB-CB 4.36Å; F108-L110 HydrophobicContact CB-CD1 4.43Å; F108-L110 HydrophobicContact CB-CG 4.36Å; F108-L110 PolarHBondContact O-N 2.93Å; L110-L114 HydrophobicContact CB-CB 4.41Å; L110-L114 HydrophobicContact CB-CD2 4.44Å; L110-L114 HydrophobicContact CD1-CD2 3.99Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CD2-CD2 4.17Å; L110-L114 HydrophobicContact CG-CD2 4.45Å; L110-I118 HydrophobicContact CD1-CD1 3.46Å; L110-I118 VanDerWaalsContact CD1-CD1 3.46Å; L110-A134 HydrophobicContact CD1-CB 4.33Å; L110-T138 HydrophobicContact CD2-CG2 3.94Å; L110-T138 WeakPolarHBondContact CD2-OG1 3.47Å; L110-L215 HydrophobicContact CD1-CD1 3.96Å; L110-L215 HydrophobicContact CD1-CD2 3.55Å; L110-L215 HydrophobicContact CD1-CG 4.42Å; L110-L215 HydrophobicContact CD2-CD2 4.41Å; L110-L215 HydrophobicContact CG-CD2 3.95Å
111	D	94.6	Very high	96.5	Very high	87 Å²	87	26.1 Å²	26.1	47%	0.465	14%	0.139	S	C	.	.			trans	-61.6	144.9	171.6	-71	-36.4	0	0	0	111.3	S52 Q113 L114 S115	S52-D111 PolarHBondContact OG-OD1 3.1Å; D111-Q113 VanDerWaalsContact C-N 3.27Å; D111-Q113 PolarHBondContact O-N 2.91Å; D111-L114 PolarHBondContact O-N 2.79Å; D111-S115 PolarHBondContact O-N 3.21Å; D111-S115 PolarHBondContact O-OG 2.82Å
112	P	97.1	Very high	96.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-52.7	-39.1	-179	-32.6	38.5	0	0	0	114	T51 S52 L55 L86 L89 M105 L114 S115 K116	T51-P112 HydrophobicContact CG2-CB 4.08Å; T51-P112 HydrophobicContact CG2-CG 3.78Å; S52-P112 WeakPolarHBondContact OG-CD 3.3Å; L55-P112 HydrophobicContact CB-CG 4.48Å; L55-P112 HydrophobicContact CD2-CB 4.33Å; L55-P112 HydrophobicContact CD2-CG 3.84Å; L86-P112 HydrophobicContact CD2-CB 3.99Å; L86-P112 HydrophobicContact CD2-CG 4.06Å; L89-P112 HydrophobicContact CD1-CB 3.69Å; M105-P112 HydrophobicContact CE-CB 3.66Å; M105-P112 VanDerWaalsContact CE-O 3.26Å; M105-P112 WeakPolarHBondContact CE-O 3.4Å; P112-L114 PolarHBondContact O-N 3.21Å; P112-S115 PolarHBondContact O-N 3.06Å; P112-K116 VanDerWaalsContact O-CB 3.31Å; P112-K116 WeakPolarHBondContact O-CB 3.48Å; P112-K116 PolarHBondContact O-N 3.3Å
113	Q	97.3	Very high	96.6	Very high	15 Å²	15	29 Å²	29	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-43	175.8	-66.3	93.2	-25.6	0	0	112.3	L89 D111 K116 S117 G247 Y248 M250	L89-Q113 HydrophobicContact CD1-CG 4.29Å; L89-Q113 HydrophobicContact CD2-CG 4.44Å; D111-Q113 VanDerWaalsContact C-N 3.27Å; D111-Q113 PolarHBondContact O-N 2.91Å; Q113-K116 PolarHBondContact O-N 2.98Å; Q113-S117 PolarHBondContact O-N 2.74Å; Q113-S117 PolarHBondContact O-OG 2.86Å; Q113-G247 WeakPolarHBondContact CB-O 3.48Å; Q113-G247 WeakPolarHBondContact CG-O 3.35Å; Q113-G247 VanDerWaalsContact O-CA 3.31Å; Q113-G247 WeakPolarHBondContact O-CA 3.3Å; Q113-Y248 HydrophobicContact CB-CD1 4.14Å; Q113-Y248 HydrophobicContact CB-CD2 4.39Å; Q113-Y248 HydrophobicContact CB-CE1 3.82Å; Q113-Y248 HydrophobicContact CB-CE2 4.07Å; Q113-Y248 HydrophobicContact CB-CG 4.4Å; Q113-M250 HydrophobicContact CG-CE 4.11Å
114	L	97.9	Very high	96.7	Very high	5 Å²	5	28 Å²	28	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-71.6	-41.8	-179.8	-167.1	53.4	0	0	0	111.1	L110 D111 P112 K116 S117 I118 A134 V137 Y248	L110-L114 HydrophobicContact CB-CB 4.41Å; L110-L114 HydrophobicContact CB-CD2 4.44Å; L110-L114 HydrophobicContact CD1-CD2 3.99Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CD2-CD2 4.17Å; L110-L114 HydrophobicContact CG-CD2 4.45Å; D111-L114 PolarHBondContact O-N 2.79Å; P112-L114 PolarHBondContact O-N 3.21Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.49Å; L114-S117 WeakPolarHBondContact O-CB 3.4Å; L114-S117 PolarHBondContact O-N 3.04Å; L114-S117 VanDerWaalsContact O-N 3.13Å; L114-I118 WeakPolarHBondContact O-CG1 3.38Å; L114-I118 PolarHBondContact O-N 3.47Å; L114-A134 HydrophobicContact CD1-CB 3.9Å; L114-A134 HydrophobicContact CD2-CB 3.89Å; L114-A134 HydrophobicContact CG-CB 3.92Å; L114-V137 HydrophobicContact CD1-CG2 4.39Å; L114-V137 HydrophobicContact CD2-CG2 3.78Å; L114-Y248 HydrophobicContact CB-CE2 4.36Å; L114-Y248 WeakPolarHBondContact CB-OH 3.26Å; L114-Y248 HydrophobicContact CD1-CE2 4.03Å
115	S	97.9	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-44.2	174	-57.7	0	0	0	0	111.3	F108 D111 P112 S117 I118 L119	F108-S115 WeakPolarHBondContact CB-OG 3.2Å; D111-S115 PolarHBondContact O-N 3.21Å; D111-S115 PolarHBondContact O-OG 2.82Å; P112-S115 PolarHBondContact O-N 3.06Å; S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.07Å; S115-I118 PolarHBondContact O-N 3.46Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 3.46Å
116	K	98.1	Very high	96.8	Very high	30 Å²	30	31 Å²	31	13%	0.13	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-39.8	174.4	-178.7	64	176	-160.8	0	112.2	L89 M105 P112 Q113 L114 I118 L119 A120 S246	L89-K116 HydrophobicContact CD2-CB 4.04Å; L89-K116 HydrophobicContact CD2-CG 4Å; L89-K116 WeakPolarHBondContact O-CD 3.42Å; L89-K116 WeakPolarHBondContact O-CE 3.27Å; L89-K116 PolarHBondContact O-NZ 3.19Å; M105-K116 HydrophobicContact CE-CB 4.26Å; M105-K116 HydrophobicContact SD-CB 4.24Å; M105-K116 HydrophobicContact SD-CD 4.25Å; P112-K116 VanDerWaalsContact O-CB 3.31Å; P112-K116 WeakPolarHBondContact O-CB 3.48Å; P112-K116 PolarHBondContact O-N 3.3Å; Q113-K116 PolarHBondContact O-N 2.98Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.49Å; K116-I118 VanDerWaalsContact C-N 3.35Å; K116-L119 PolarHBondContact O-N 3.12Å; K116-A120 WeakPolarHBondContact O-CB 3.45Å; K116-A120 PolarHBondContact O-N 3.29Å; K116-S246 VanDerWaalsContact CG-O 3.31Å; K116-S246 WeakPolarHBondContact CG-O 3.43Å
117	S	98.4	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-39.6	176.7	-54.9	0	0	0	0	112.1	Q113 L114 S115 A120 S121 A243 G247 Y248	Q113-S117 PolarHBondContact O-N 2.74Å; Q113-S117 PolarHBondContact O-OG 2.86Å; L114-S117 WeakPolarHBondContact O-CB 3.4Å; L114-S117 PolarHBondContact O-N 3.04Å; L114-S117 VanDerWaalsContact O-N 3.13Å; S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.07Å; S117-A120 PolarHBondContact O-N 2.91Å; S117-S121 WeakPolarHBondContact O-CB 3.42Å; S117-S121 PolarHBondContact O-N 2.98Å; S117-A243 WeakPolarHBondContact CA-O 3.48Å; S117-A243 WeakPolarHBondContact CB-O 3.4Å; S117-G247 WeakPolarHBondContact OG-CA 3.15Å; S117-Y248 WeakPolarHBondContact OG-CD2 3.34Å
118	I	98.3	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-44.2	174.3	-67.5	168.5	0	0	0	110.5	F108 L110 L114 S115 K116 S121 C122 V130 L131 A134 L215 I219	F108-I118 HydrophobicContact CE1-CG2 4.18Å; F108-I118 HydrophobicContact CZ-CG2 4.04Å; L110-I118 HydrophobicContact CD1-CD1 3.46Å; L110-I118 VanDerWaalsContact CD1-CD1 3.46Å; L114-I118 WeakPolarHBondContact O-CG1 3.38Å; L114-I118 PolarHBondContact O-N 3.47Å; S115-I118 PolarHBondContact O-N 3.46Å; K116-I118 VanDerWaalsContact C-N 3.35Å; I118-S121 WeakPolarHBondContact O-CB 3.5Å; I118-S121 PolarHBondContact O-N 3.2Å; I118-S121 PolarHBondContact O-OG 3.45Å; I118-C122 PolarHBondContact O-N 3.37Å; I118-C122 PolarHBondContact O-SG 3.38Å; I118-V130 HydrophobicContact CG1-CG1 4.05Å; I118-L131 HydrophobicContact CD1-CD2 4.18Å; I118-L131 HydrophobicContact CG1-CD2 4.34Å; I118-L131 HydrophobicContact CG2-CD2 4.06Å; I118-A134 HydrophobicContact CD1-CB 3.88Å; I118-A134 HydrophobicContact CG1-CB 4.3Å; I118-L215 HydrophobicContact CD1-CD1 4.45Å; I118-I219 HydrophobicContact CG2-CD1 3.75Å
119	L	97.5	Very high	97.2	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-46.8	176.7	-66	-175.9	0	0	0	112.2	F101 I104 M105 F108 S115 K116 S121 C122 L224	F101-L119 HydrophobicContact CD1-CD1 4.31Å; I104-L119 HydrophobicContact CB-CD1 4.22Å; I104-L119 HydrophobicContact CB-CD2 4.43Å; I104-L119 HydrophobicContact CG2-CD1 4.15Å; I104-L119 HydrophobicContact CG2-CD2 3.53Å; I104-L119 HydrophobicContact CG2-CG 4.46Å; M105-L119 HydrophobicContact CG-CD1 3.54Å; F108-L119 HydrophobicContact CE2-CD2 4.05Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 3.46Å; K116-L119 PolarHBondContact O-N 3.12Å; L119-S121 PolarHBondContact O-N 3.24Å; L119-C122 VanDerWaalsContact O-CB 3.26Å; L119-C122 WeakPolarHBondContact O-CB 3.4Å; L119-C122 PolarHBondContact O-N 2.58Å; L119-L224 HydrophobicContact CD2-CD1 3.63Å; L119-L224 HydrophobicContact CD2-CD2 4.49Å
120	A	97.8	Very high	97.4	Very high	6 Å²	6	22.7 Å²	22.7	5%	0.05	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-32.9	176.2	0	0	0	0	0	112.3	K116 S117 C122 E123 F124 S246	K116-A120 WeakPolarHBondContact O-CB 3.45Å; K116-A120 PolarHBondContact O-N 3.29Å; S117-A120 PolarHBondContact O-N 2.91Å; A120-C122 PolarHBondContact O-N 3.24Å; A120-E123 WeakPolarHBondContact O-CB 3.47Å; A120-E123 PolarHBondContact O-N 3.3Å; A120-F124 HydrophobicContact CB-CD2 4.32Å; A120-F124 HydrophobicContact CB-CE2 4.05Å; A120-F124 WeakPolarHBondContact O-CD2 3.36Å; A120-F124 PolarHBondContact O-N 3.33Å; A120-F124 VanDerWaalsContact O-N 3.15Å; A120-S246 VanDerWaalsContact CB-CB 3.41Å
121	S	98.1	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-22.3	176.4	79.2	0	0	0	0	113.9	S117 I118 L119 E123 D125 C126 V127	S117-S121 WeakPolarHBondContact O-CB 3.42Å; S117-S121 PolarHBondContact O-N 2.98Å; I118-S121 WeakPolarHBondContact O-CB 3.5Å; I118-S121 PolarHBondContact O-N 3.2Å; I118-S121 PolarHBondContact O-OG 3.45Å; L119-S121 PolarHBondContact O-N 3.24Å; S121-E123 VanDerWaalsContact C-N 3.34Å; S121-D125 PolarHBondContact O-N 2.89Å; S121-D125 VanDerWaalsContact O-N 3.16Å; S121-C126 PolarHBondContact O-N 2.91Å; S121-V127 WeakPolarHBondContact O-CG2 3.23Å; S121-V127 WeakPolarHBondContact OG-CA 3.29Å
122	C	96.7	Very high	97.7	Very high	14 Å²	14	17.6 Å²	17.6	10%	0.095	9%	0.088	C	C	.	.	H	α-helix	trans	-71.5	-31	173.2	-56.2	0	0	0	0	111.6	I118 L119 A120 V127 P225	I118-C122 PolarHBondContact O-N 3.37Å; I118-C122 PolarHBondContact O-SG 3.38Å; L119-C122 VanDerWaalsContact O-CB 3.26Å; L119-C122 WeakPolarHBondContact O-CB 3.4Å; L119-C122 PolarHBondContact O-N 2.58Å; A120-C122 PolarHBondContact O-N 3.24Å; C122-V127 HydrophobicContact CB-CG2 4.16Å; C122-P225 HydrophobicContact CB-CB 4.5Å
123	E	95.9	Very high	97.8	Very high	130 Å²	130	17.6 Å²	17.6	61%	0.607	9%	0.088	S	C	*	.	H	α-helix	trans	-81	-26.8	176.7	-60.2	-178.7	176.4	0	0	112.5	A120 S121	A120-E123 WeakPolarHBondContact O-CB 3.47Å; A120-E123 PolarHBondContact O-N 3.3Å; S121-E123 VanDerWaalsContact C-N 3.34Å
124	F	97.1	Very high	97.9	Very high	36 Å²	36	16.9 Å²	16.9	16%	0.158	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	10.9	-178.9	-56.3	-53.6	0	0	0	113.8	A120 C126 N239 K242 A243 L316	A120-F124 HydrophobicContact CB-CD2 4.32Å; A120-F124 HydrophobicContact CB-CE2 4.05Å; A120-F124 WeakPolarHBondContact O-CD2 3.36Å; A120-F124 PolarHBondContact O-N 3.33Å; A120-F124 VanDerWaalsContact O-N 3.15Å; F124-C126 VanDerWaalsContact C-N 3.31Å; F124-C126 PolarHBondContact O-N 3.14Å; F124-N239 HydrophobicContact CB-CB 3.86Å; F124-N239 WeakPolarHBondContact O-CB 3.19Å; F124-N239 PolarHBondContact O-ND2 3.31Å; F124-K242 HydrophobicContact CD1-CB 4.25Å; F124-K242 HydrophobicContact CD1-CD 3.94Å; F124-K242 HydrophobicContact CD2-CB 3.69Å; F124-K242 HydrophobicContact CE1-CB 4.18Å; F124-K242 HydrophobicContact CE1-CD 3.9Å; F124-K242 HydrophobicContact CE2-CB 3.6Å; F124-K242 HydrophobicContact CG-CB 4.03Å; F124-K242 HydrophobicContact CG-CD 4.42Å; F124-K242 HydrophobicContact CZ-CB 3.87Å; F124-K242 HydrophobicContact CZ-CD 4.35Å; F124-A243 HydrophobicContact CD2-CB 4.11Å; F124-L316 HydrophobicContact CE2-CD2 4.49Å; F124-L316 HydrophobicContact CZ-CD2 3.87Å
125	D	96.6	Very high	97.9	Very high	103 Å²	103	16.6 Å²	16.6	55%	0.551	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	43.2	177.4	-60.9	-46.5	0	0	0	114	S121 A227	S121-D125 PolarHBondContact O-N 2.89Å; S121-D125 VanDerWaalsContact O-N 3.16Å; D125-A227 HydrophobicContact CB-CB 3.88Å
126	C	97.9	Very high	97.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.			trans	-136.6	32.1	178.9	68.4	0	0	0	0	113.2	S121 F124 D128 E129 V130 N239 I240	S121-C126 PolarHBondContact O-N 2.91Å; F124-C126 VanDerWaalsContact C-N 3.31Å; F124-C126 PolarHBondContact O-N 3.14Å; C126-D128 PolarHBondContact O-N 3Å; C126-E129 PolarHBondContact O-N 3.44Å; C126-V130 WeakPolarHBondContact O-CG2 3.43Å; C126-V130 PolarHBondContact O-N 3.38Å; C126-V130 VanDerWaalsContact O-N 3.12Å; C126-N239 HydrophobicContact CB-CB 4.08Å; C126-N239 VanDerWaalsContact SG-C 3.55Å; C126-I240 HydrophobicContact CB-CG1 3.96Å
127	V	97.9	Very high	97.9	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-60	-44.4	-175.9	-175.4	0	0	0	0	112	S121 C122 E129 V130 L131 Y226	S121-V127 WeakPolarHBondContact O-CG2 3.23Å; S121-V127 WeakPolarHBondContact OG-CA 3.29Å; C122-V127 HydrophobicContact CB-CG2 4.16Å; V127-E129 VanDerWaalsContact C-N 3.35Å; V127-E129 PolarHBondContact O-N 3.15Å; V127-V130 PolarHBondContact O-N 3.47Å; V127-L131 HydrophobicContact CG1-CD1 3.99Å; V127-L131 HydrophobicContact CG1-CG 4.01Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 VanDerWaalsContact O-CG 3.27Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 3.43Å; V127-Y226 HydrophobicContact CB-CD2 4.22Å; V127-Y226 HydrophobicContact CB-CE2 4.49Å; V127-Y226 HydrophobicContact CG1-CD2 3.82Å; V127-Y226 HydrophobicContact CG1-CE2 4.1Å
128	D	97.8	Very high	97.9	Very high	15 Å²	15	18.8 Å²	18.8	8%	0.08	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-45.5	-178	-170.7	-79.1	0	0	0	112.5	C126 T132 R212 Y226 P229	C126-D128 PolarHBondContact O-N 3Å; D128-T132 PolarHBondContact O-N 2.85Å; D128-T132 VanDerWaalsContact O-N 3.13Å; D128-T132 PolarHBondContact O-OG1 3.13Å; D128-R212 IonicContact OD1-NH2 3.56Å; D128-R212 PolarHBondContact OD1-NH2 3.21Å; D128-R212 VanDerWaalsContact OD1-NH2 3.15Å; D128-R212 IonicContact OD2-CZ 3.73Å; D128-R212 IonicContact OD2-NH2 3.63Å; D128-R212 PolarHBondContact OD2-NH2 2.89Å; D128-Y226 PolarHBondContact OD2-OH 2.99Å; D128-P229 HydrophobicContact CB-CB 4.22Å; D128-P229 HydrophobicContact CB-CG 4.18Å
129	E	98.4	Very high	97.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-70	-40.7	179.2	-69.1	86.7	-165.3	0	0	112.2	C126 V127 T132 I133 I172 A230 F231 N236 I240	C126-E129 PolarHBondContact O-N 3.44Å; V127-E129 VanDerWaalsContact C-N 3.35Å; V127-E129 PolarHBondContact O-N 3.15Å; E129-T132 WeakPolarHBondContact O-CB 3.42Å; E129-T132 PolarHBondContact O-N 3.22Å; E129-I133 WeakPolarHBondContact O-CG1 3.43Å; E129-I133 PolarHBondContact O-N 3.37Å; E129-I172 HydrophobicContact CB-CD1 3.82Å; E129-I172 HydrophobicContact CG-CD1 4.24Å; E129-A230 PolarHBondContact OE1-N 3.19Å; E129-F231 HydrophobicContact CG-CB 3.93Å; E129-F231 HydrophobicContact CG-CD2 3.97Å; E129-F231 HydrophobicContact CG-CG 4.35Å; E129-F231 PolarHBondContact OE1-N 3.36Å; E129-N236 PolarHBondContact OE2-ND2 3.34Å; E129-I240 HydrophobicContact CB-CD1 3.64Å; E129-I240 HydrophobicContact CB-CG1 3.94Å; E129-I240 HydrophobicContact CG-CD1 3.87Å
130	V	98.6	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.4	-34.8	179.8	177.1	0	0	0	0	111.8	I118 C126 V127 T132 I133 A134 A243	I118-V130 HydrophobicContact CG1-CG1 4.05Å; C126-V130 WeakPolarHBondContact O-CG2 3.43Å; C126-V130 PolarHBondContact O-N 3.38Å; C126-V130 VanDerWaalsContact O-N 3.12Å; V127-V130 PolarHBondContact O-N 3.47Å; V130-T132 VanDerWaalsContact C-N 3.29Å; V130-T132 PolarHBondContact O-N 2.93Å; V130-I133 PolarHBondContact O-N 3.03Å; V130-A134 VanDerWaalsContact O-CB 3.3Å; V130-A134 WeakPolarHBondContact O-CB 3.45Å; V130-A134 PolarHBondContact O-N 3.19Å; V130-A243 HydrophobicContact CG2-CB 3.88Å
131	L	98.4	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-40.1	169.5	-73.7	-175.7	0	0	0	111.7	I118 V127 A134 A135 R212 L215 L216 I219 Y226	I118-L131 HydrophobicContact CD1-CD2 4.18Å; I118-L131 HydrophobicContact CG1-CD2 4.34Å; I118-L131 HydrophobicContact CG2-CD2 4.06Å; V127-L131 HydrophobicContact CG1-CD1 3.99Å; V127-L131 HydrophobicContact CG1-CG 4.01Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 VanDerWaalsContact O-CG 3.27Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 3.43Å; L131-A134 PolarHBondContact O-N 2.99Å; L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 2.78Å; L131-R212 HydrophobicContact CB-CG 4.37Å; L131-L215 HydrophobicContact CD2-CB 3.72Å; L131-L215 HydrophobicContact CD2-CD1 4.4Å; L131-L216 HydrophobicContact CD1-CB 4.17Å; L131-L216 HydrophobicContact CD1-CD1 4.08Å; L131-I219 HydrophobicContact CD1-CG1 4.43Å; L131-I219 HydrophobicContact CD2-CG1 4.31Å; L131-Y226 HydrophobicContact CD1-CE2 4.14Å
132	T	98.7	Very high	97.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-46.1	175.7	-58.4	0	0	0	0	111.2	D128 E129 V130 A135 M136 I172 Y175 R212	D128-T132 PolarHBondContact O-N 2.85Å; D128-T132 VanDerWaalsContact O-N 3.13Å; D128-T132 PolarHBondContact O-OG1 3.13Å; E129-T132 WeakPolarHBondContact O-CB 3.42Å; E129-T132 PolarHBondContact O-N 3.22Å; V130-T132 VanDerWaalsContact C-N 3.29Å; V130-T132 PolarHBondContact O-N 2.93Å; T132-A135 PolarHBondContact O-N 3.16Å; T132-M136 HydrophobicContact CG2-CG 4.47Å; T132-M136 WeakPolarHBondContact O-CB 3.32Å; T132-M136 WeakPolarHBondContact O-CG 3.49Å; T132-M136 PolarHBondContact O-N 3Å; T132-I172 HydrophobicContact CG2-CG1 4.32Å; T132-Y175 HydrophobicContact CG2-CD1 3.35Å; T132-Y175 HydrophobicContact CG2-CD2 4.47Å; T132-Y175 HydrophobicContact CG2-CE1 4.09Å; T132-Y175 HydrophobicContact CG2-CG 3.57Å; T132-R212 PolarHBondContact OG1-NE 3.28Å
133	I	98.7	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.1	-51.3	173.8	-68.8	165.3	0	0	0	109.8	E129 V130 A135 M136 V137 H168 I172 I240 L244	E129-I133 WeakPolarHBondContact O-CG1 3.43Å; E129-I133 PolarHBondContact O-N 3.37Å; V130-I133 PolarHBondContact O-N 3.03Å; I133-A135 VanDerWaalsContact C-N 3.29Å; I133-A135 PolarHBondContact O-N 3.47Å; I133-M136 PolarHBondContact O-N 2.85Å; I133-M136 VanDerWaalsContact O-N 3.1Å; I133-V137 HydrophobicContact CG2-CG1 4.08Å; I133-V137 WeakPolarHBondContact O-CG1 3.45Å; I133-V137 WeakPolarHBondContact O-CG2 3.42Å; I133-V137 PolarHBondContact O-N 2.79Å; I133-H168 HydrophobicContact CD1-CB 4.07Å; I133-H168 HydrophobicContact CG1-CB 4.43Å; I133-I172 HydrophobicContact CD1-CD1 3.7Å; I133-I172 HydrophobicContact CD1-CG1 4.23Å; I133-I172 HydrophobicContact CG1-CD1 3.75Å; I133-I172 HydrophobicContact CG1-CG1 3.69Å; I133-I240 HydrophobicContact CD1-CG2 3.78Å; I133-L244 HydrophobicContact CD1-CD1 4.28Å; I133-L244 HydrophobicContact CD1-CD2 4.42Å; I133-L244 HydrophobicContact CG2-CD2 4.28Å
134	A	98.6	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.6	-42.9	-177.6	0	0	0	0	0	112.2	L110 L114 I118 V130 L131 V137 T138 L215	L110-A134 HydrophobicContact CD1-CB 4.33Å; L114-A134 HydrophobicContact CD1-CB 3.9Å; L114-A134 HydrophobicContact CD2-CB 3.89Å; L114-A134 HydrophobicContact CG-CB 3.92Å; I118-A134 HydrophobicContact CD1-CB 3.88Å; I118-A134 HydrophobicContact CG1-CB 4.3Å; V130-A134 VanDerWaalsContact O-CB 3.3Å; V130-A134 WeakPolarHBondContact O-CB 3.45Å; V130-A134 PolarHBondContact O-N 3.19Å; L131-A134 PolarHBondContact O-N 2.99Å; A134-V137 WeakPolarHBondContact O-CG2 3.26Å; A134-T138 VanDerWaalsContact O-CB 3.23Å; A134-T138 WeakPolarHBondContact O-CB 3.45Å; A134-T138 PolarHBondContact O-N 3.34Å; A134-T138 PolarHBondContact O-OG1 3.27Å; A134-L215 HydrophobicContact CB-CD1 3.91Å
135	A	98.7	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.9	-46	175.4	0	0	0	0	0	112.8	L131 T132 I133 V137 T138 A139 A208 I211 R212	L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 2.78Å; T132-A135 PolarHBondContact O-N 3.16Å; I133-A135 VanDerWaalsContact C-N 3.29Å; I133-A135 PolarHBondContact O-N 3.47Å; A135-V137 PolarHBondContact O-N 2.98Å; A135-T138 PolarHBondContact O-N 3.48Å; A135-A139 VanDerWaalsContact O-CB 3.32Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 2.68Å; A135-A208 HydrophobicContact CB-CB 4.39Å; A135-A208 VanDerWaalsContact CB-O 3.31Å; A135-A208 WeakPolarHBondContact CB-O 3.33Å; A135-I211 HydrophobicContact CB-CB 4.27Å; A135-I211 HydrophobicContact CB-CG2 4.09Å; A135-R212 HydrophobicContact CB-CB 3.63Å; A135-R212 HydrophobicContact CB-CG 4.29Å
136	M	98.5	Very high	96.3	Very high	9 Å²	9	26.2 Å²	26.2	4%	0.044	14%	0.144	C	C	.	.	H	α-helix	trans	-68	-31.8	-177.5	-71.1	-67.8	-68.9	0	0	113.5	T132 I133 C142 L171 I174 Y175 L205 A208	T132-M136 HydrophobicContact CG2-CG 4.47Å; T132-M136 WeakPolarHBondContact O-CB 3.32Å; T132-M136 WeakPolarHBondContact O-CG 3.49Å; T132-M136 PolarHBondContact O-N 3Å; I133-M136 PolarHBondContact O-N 2.85Å; I133-M136 VanDerWaalsContact O-N 3.1Å; M136-C142 HydrophobicContact CE-CB 3.94Å; M136-L171 HydrophobicContact CB-CB 4Å; M136-L171 HydrophobicContact CB-CD1 4.16Å; M136-L171 HydrophobicContact CB-CD2 4.4Å; M136-L171 HydrophobicContact CB-CG 4.41Å; M136-L171 HydrophobicContact CE-CB 4.42Å; M136-L171 HydrophobicContact CE-CD2 3.98Å; M136-L171 HydrophobicContact CG-CB 4.36Å; M136-I174 HydrophobicContact CE-CB 4.44Å; M136-I174 HydrophobicContact CE-CG2 4.13Å; M136-Y175 HydrophobicContact CG-CD2 4.47Å; M136-Y175 HydrophobicContact SD-CD2 3.95Å; M136-Y175 HydrophobicContact SD-CG 4.41Å; M136-L205 HydrophobicContact CE-CD2 3.72Å; M136-L205 HydrophobicContact SD-CD2 3.94Å; M136-A208 HydrophobicContact CG-CB 4.47Å; M136-A208 HydrophobicContact SD-CB 3.67Å
137	V	97.6	Very high	95.9	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-82.7	-26.3	177.9	-58	0	0	0	0	113.5	L114 I133 A134 A135 L171 H292 K293 I304	L114-V137 HydrophobicContact CD1-CG2 4.39Å; L114-V137 HydrophobicContact CD2-CG2 3.78Å; I133-V137 HydrophobicContact CG2-CG1 4.08Å; I133-V137 WeakPolarHBondContact O-CG1 3.45Å; I133-V137 WeakPolarHBondContact O-CG2 3.42Å; I133-V137 PolarHBondContact O-N 2.79Å; A134-V137 WeakPolarHBondContact O-CG2 3.26Å; A135-V137 PolarHBondContact O-N 2.98Å; V137-L171 HydrophobicContact CG1-CD1 3.7Å; V137-H292 WeakPolarHBondContact CG2-CE1 3.33Å; V137-H292 WeakPolarHBondContact CG2-NE2 3.45Å; V137-K293 PolarHBondContact O-NZ 3.49Å; V137-I304 HydrophobicContact CB-CD1 4.37Å; V137-I304 HydrophobicContact CG1-CD1 3.97Å; V137-I304 HydrophobicContact CG1-CG2 4.3Å
138	T	97.3	Very high	95.5	Very high	63 Å²	63	38.4 Å²	38.4	39%	0.387	21%	0.207	S	C	.	.	H	α-helix	trans	-81.1	-39.1	177.8	-56.4	0	0	0	0	111.5	L110 A134 A135 I211	L110-T138 HydrophobicContact CD2-CG2 3.94Å; L110-T138 WeakPolarHBondContact CD2-OG1 3.47Å; A134-T138 VanDerWaalsContact O-CB 3.23Å; A134-T138 WeakPolarHBondContact O-CB 3.45Å; A134-T138 PolarHBondContact O-N 3.34Å; A134-T138 PolarHBondContact O-OG1 3.27Å; A135-T138 PolarHBondContact O-N 3.48Å; T138-I211 HydrophobicContact CG2-CD1 4.09Å
139	A	97.4	Very high	95.2	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	24%	0.235	C	C	.	.	S	Bend	trans	-61.4	160.4	173.1	0	0	0	0	0	111.9	A135 M207 A208 I211	A135-A139 VanDerWaalsContact O-CB 3.32Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 2.68Å; A139-M207 HydrophobicContact CB-CB 4.45Å; A139-M207 HydrophobicContact CB-CG 4.46Å; A139-A208 HydrophobicContact CB-CB 3.85Å; A139-I211 HydrophobicContact CB-CD1 4.17Å
140	P	95.6	Very high	94.9	Very high	76 Å²	76	41.7 Å²	41.7	49%	0.494	24%	0.243	S	C	.	.	S	Bend	trans	-53.8	157.3	168.3	-24.3	34.6	0	0	0	111.6	C142 A204	P140-C142 PolarHBondContact O-N 3.18Å; P140-A204 HydrophobicContact CB-CB 4.22Å; P140-A204 WeakPolarHBondContact O-CB 3.38Å
141	N	93	Very high	94.6	Very high	93 Å²	93	45.7 Å²	45.7	50%	0.497	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-53.5	125.2	-179.2	-173.5	-5.4	0	0	0	111.4	F143	N141-F143 VanDerWaalsContact C-N 3.27Å; N141-F143 PolarHBondContact O-N 2.87Å; N141-F143 VanDerWaalsContact OD1-CD2 3.32Å; N141-F143 WeakPolarHBondContact OD1-CD2 3.41Å; N141-F143 PolarHBondContact OD1-N 2.71Å
142	C	94.7	Very high	94.3	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.027	30%	0.298	C	S	.	.	S	Bend	trans	-73.8	-15.5	-179	65.4	0	0	0	0	113.3	M136 P140 L200 N201 L205	M136-C142 HydrophobicContact CE-CB 3.94Å; P140-C142 PolarHBondContact O-N 3.18Å; C142-L200 CarbonylContact O-C 3.59Å; C142-L200 VanDerWaalsContact O-CA 3.29Å; C142-L200 WeakPolarHBondContact O-CA 3.4Å; C142-N201 PolarHBondContact O-N 3.4Å; C142-L205 HydrophobicContact CB-CD2 4.03Å; C142-L205 HydrophobicContact CB-CG 4.41Å
143	F	93.8	Very high	94	Very high	43 Å²	43	55.8 Å²	55.8	19%	0.189	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-80.3	125.7	172.8	-62.6	-72	0	0	0	110.3	N141 W158 I174 L200	N141-F143 VanDerWaalsContact C-N 3.27Å; N141-F143 PolarHBondContact O-N 2.87Å; N141-F143 VanDerWaalsContact OD1-CD2 3.32Å; N141-F143 WeakPolarHBondContact OD1-CD2 3.41Å; N141-F143 PolarHBondContact OD1-N 2.71Å; F143-W158 HydrophobicContact CB-CZ2 4.25Å; F143-W158 AromaticContact CD1-CD1 3.93Å; F143-W158 AromaticContact CD1-CD2 3.93Å; F143-W158 HydrophobicContact CD1-CD2 3.93Å; F143-W158 AromaticContact CD1-CE2 3.52Å; F143-W158 HydrophobicContact CD1-CG 4.16Å; F143-W158 AromaticContact CD1-CZ2 3.89Å; F143-W158 HydrophobicContact CD1-CZ2 3.89Å; F143-W158 AromaticContact CD1-NE1 3.55Å; F143-W158 HydrophobicContact CE1-CB 4.47Å; F143-W158 AromaticContact CE1-CD1 3.83Å; F143-W158 HydrophobicContact CE1-CD2 4.03Å; F143-W158 AromaticContact CE1-CG 3.87Å; F143-W158 HydrophobicContact CE1-CG 3.87Å; F143-W158 AromaticContact CE1-NE1 3.96Å; F143-W158 HydrophobicContact CG-CZ2 4.44Å; F143-I174 HydrophobicContact CE1-CD1 4.01Å; F143-I174 HydrophobicContact CZ-CD1 3.73Å; F143-L200 HydrophobicContact CD1-CD2 4.18Å; F143-L200 HydrophobicContact CE1-CD2 4.38Å
144	S	92.1	Very high	93.7	Very high	37 Å²	37	55.8 Å²	55.8	26%	0.259	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-74.3	159	176.9	-78.4	0	0	0	0	111.8	V146 F199 L200 N201	S144-V146 PolarHBondContact O-N 3.48Å; S144-F199 WeakPolarHBondContact CB-O 3.31Å; S144-F199 PolarHBondContact N-O 3.35Å; S144-L200 PolarHBondContact OG-O 3.05Å; S144-N201 VanDerWaalsContact OG-CA 3.32Å; S144-N201 WeakPolarHBondContact OG-CA 3.35Å; S144-N201 PolarHBondContact OG-N 3.21Å; S144-N201 VanDerWaalsContact OG-N 3.16Å
145	H	87.9	Confident	93.4	Very high	169 Å²	169	58.5 Å²	58.5	78%	0.782	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-60.3	122.3	167.8	179.7	-76.9	0	0	0	109.6	P147	H145-P147 WeakPolarHBondContact O-CD 3.38Å
146	V	90.1	Very high	93.1	Very high	28 Å²	28	62.7 Å²	62.7	17%	0.17	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-82.5	124.4	179.7	-176.1	0	0	0	0	109.3	S144 A150 E151 A154 W158 F199	S144-V146 PolarHBondContact O-N 3.48Å; V146-A150 HydrophobicContact CG1-CB 4.16Å; V146-E151 HydrophobicContact CG1-CG 4.29Å; V146-A154 HydrophobicContact CG1-CB 3.83Å; V146-A154 HydrophobicContact CG2-CB 3.78Å; V146-W158 HydrophobicContact CG2-CH2 3.43Å; V146-W158 VanDerWaalsContact CG2-CH2 3.43Å; V146-W158 HydrophobicContact CG2-CZ2 3.68Å; V146-W158 HydrophobicContact CG2-CZ3 4.48Å; V146-F199 HydrophobicContact CG1-CD1 4.41Å; V146-F199 HydrophobicContact CG1-CE1 4.44Å
147	P	89.4	Confident	92.9	Very high	73 Å²	73	63.7 Å²	63.7	47%	0.474	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-60.5	145.4	172.8	-21.3	33	0	0	0	111.3	H145 G149 A150	H145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-G149 PolarHBondContact O-N 3.34Å; P147-A150 HydrophobicContact CB-CB 4.47Å; P147-A150 WeakPolarHBondContact O-CB 3.39Å; P147-A150 PolarHBondContact O-N 2.78Å
148	H	90.1	Very high	92.6	Very high	184 Å²	184	64.1 Å²	64.1	85%	0.852	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	128.5	177.5	-174.1	-66.5	0	0	0	111	E151	H148-E151 WeakPolarHBondContact CA-OE1 3.44Å
149	G	91	Very high	92.5	Very high	65 Å²	65	66.8 Å²	66.8	67%	0.67	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-0.9	-178.4	0	0	0	0	0	114.8	P147 E151	P147-G149 PolarHBondContact O-N 3.34Å; G149-E151 WeakPolarHBondContact CA-OE2 3.37Å; G149-E151 PolarHBondContact N-OE1 3.5Å; G149-E151 VanDerWaalsContact N-OE1 3.14Å; G149-E151 PolarHBondContact N-OE2 3.03Å
150	A	92.9	Very high	92.3	Very high	21 Å²	21	70.9 Å²	70.9	17%	0.174	40%	0.396	C	S	.	.			trans	-106.6	10.6	175.8	0	0	0	0	0	113.3	V146 P147 E152 A153 A154 F199	V146-A150 HydrophobicContact CG1-CB 4.16Å; P147-A150 HydrophobicContact CB-CB 4.47Å; P147-A150 WeakPolarHBondContact O-CB 3.39Å; P147-A150 PolarHBondContact O-N 2.78Å; A150-E152 PolarHBondContact O-N 2.79Å; A150-A153 PolarHBondContact O-N 3.49Å; A150-A154 WeakPolarHBondContact O-CB 3.42Å; A150-A154 PolarHBondContact O-N 3.45Å; A150-F199 HydrophobicContact CB-CE1 3.96Å; A150-F199 HydrophobicContact CB-CZ 4.16Å
151	E	91.9	Very high	92.4	Very high	84 Å²	84	68 Å²	68	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-43.5	-173.5	-61.3	82.1	178.7	0	0	112.4	V146 H148 G149 A153 A154 L155	V146-E151 HydrophobicContact CG1-CG 4.29Å; H148-E151 WeakPolarHBondContact CA-OE1 3.44Å; G149-E151 WeakPolarHBondContact CA-OE2 3.37Å; G149-E151 PolarHBondContact N-OE1 3.5Å; G149-E151 VanDerWaalsContact N-OE1 3.14Å; G149-E151 PolarHBondContact N-OE2 3.03Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 3.03Å; E151-A154 PolarHBondContact O-N 3.34Å; E151-L155 WeakPolarHBondContact O-CB 3.45Å; E151-L155 VanDerWaalsContact O-CG 3.29Å; E151-L155 WeakPolarHBondContact O-CG 3.49Å; E151-L155 PolarHBondContact O-N 3.32Å
152	E	91.9	Very high	92.5	Very high	162 Å²	162	65.4 Å²	65.4	76%	0.757	36%	0.362	S	S	*	.	H	α-helix	trans	-66.4	-37.3	177.7	-67.7	-173.1	167.8	0	0	112.3	A150 T156	A150-E152 PolarHBondContact O-N 2.79Å; E152-T156 WeakPolarHBondContact O-CB 3.36Å; E152-T156 PolarHBondContact O-N 3.16Å; E152-T156 PolarHBondContact O-OG1 3.47Å
153	A	93.3	Very high	92.6	Very high	50 Å²	50	67.1 Å²	67.1	41%	0.413	37%	0.37	S	S	.	.	H	α-helix	trans	-66.1	-46.7	175.9	0	0	0	0	0	110.7	A150 E151 L155 T156 C157 F199	A150-A153 PolarHBondContact O-N 3.49Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 3.03Å; A153-L155 PolarHBondContact O-N 3.12Å; A153-T156 WeakPolarHBondContact O-CB 3.39Å; A153-T156 PolarHBondContact O-N 3.13Å; A153-T156 VanDerWaalsContact O-N 3.16Å; A153-C157 PolarHBondContact O-N 3.15Å; A153-F199 HydrophobicContact CB-CE2 4.32Å; A153-F199 HydrophobicContact CB-CZ 4.22Å
154	A	92.5	Very high	92.6	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-59.5	-46.4	175.9	0	0	0	0	0	111.9	V146 A150 E151 T156 C157 W158 F199	V146-A154 HydrophobicContact CG1-CB 3.83Å; V146-A154 HydrophobicContact CG2-CB 3.78Å; A150-A154 WeakPolarHBondContact O-CB 3.42Å; A150-A154 PolarHBondContact O-N 3.45Å; E151-A154 PolarHBondContact O-N 3.34Å; A154-T156 VanDerWaalsContact C-N 3.28Å; A154-T156 PolarHBondContact O-N 2.84Å; A154-C157 PolarHBondContact O-N 3.06Å; A154-W158 HydrophobicContact CB-CH2 4.19Å; A154-W158 HydrophobicContact CB-CZ2 4.06Å; A154-W158 HydrophobicContact CB-CZ3 4.42Å; A154-W158 PolarHBondContact O-N 3.1Å; A154-F199 HydrophobicContact CB-CB 4.16Å; A154-F199 HydrophobicContact CB-CD1 3.91Å; A154-F199 HydrophobicContact CB-CD2 3.77Å; A154-F199 HydrophobicContact CB-CE1 4.19Å; A154-F199 HydrophobicContact CB-CE2 4.07Å; A154-F199 HydrophobicContact CB-CG 3.68Å; A154-F199 HydrophobicContact CB-CZ 4.27Å
155	L	91.8	Very high	92.8	Very high	57 Å²	57	70.1 Å²	70.1	30%	0.298	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-37.9	175.7	-76.3	168.8	0	0	0	112.3	E151 A153 W158 K159 I281	E151-L155 WeakPolarHBondContact O-CB 3.45Å; E151-L155 VanDerWaalsContact O-CG 3.29Å; E151-L155 WeakPolarHBondContact O-CG 3.49Å; E151-L155 PolarHBondContact O-N 3.32Å; A153-L155 PolarHBondContact O-N 3.12Å; L155-W158 HydrophobicContact CD2-CE3 4.13Å; L155-W158 HydrophobicContact CD2-CZ3 4.39Å; L155-W158 PolarHBondContact O-N 3.05Å; L155-K159 WeakPolarHBondContact O-CB 3.29Å; L155-K159 VanDerWaalsContact O-CG 3.23Å; L155-K159 WeakPolarHBondContact O-CG 3.41Å; L155-K159 PolarHBondContact O-N 2.92Å; L155-I281 HydrophobicContact CD2-CD1 3.96Å; L155-I281 HydrophobicContact CD2-CG1 4.02Å
156	T	93.1	Very high	93.2	Very high	89 Å²	89	62.1 Å²	62.1	55%	0.546	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-42.4	177	-58.7	0	0	0	0	111.4	E152 A153 A154	E152-T156 WeakPolarHBondContact O-CB 3.36Å; E152-T156 PolarHBondContact O-N 3.16Å; E152-T156 PolarHBondContact O-OG1 3.47Å; A153-T156 WeakPolarHBondContact O-CB 3.39Å; A153-T156 PolarHBondContact O-N 3.13Å; A153-T156 VanDerWaalsContact O-N 3.16Å; A154-T156 VanDerWaalsContact C-N 3.28Å; A154-T156 PolarHBondContact O-N 2.84Å
157	C	92.9	Very high	93.6	Very high	30 Å²	30	61.6 Å²	61.6	20%	0.203	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-47.3	173.3	-68	0	0	0	0	111.3	A153 A154 K159 T160 Y198 F199	A153-C157 PolarHBondContact O-N 3.15Å; A154-C157 PolarHBondContact O-N 3.06Å; C157-K159 VanDerWaalsContact C-N 3.27Å; C157-K159 PolarHBondContact O-N 3.13Å; C157-T160 PolarHBondContact O-N 2.85Å; C157-T160 VanDerWaalsContact O-N 3.09Å; C157-T160 PolarHBondContact O-OG1 2.79Å; C157-Y198 HydrophobicContact CB-CD1 3.97Å; C157-F199 HydrophobicContact CB-CD2 4.37Å
158	W	92.6	Very high	94	Very high	12 Å²	12	58.1 Å²	58.1	5%	0.045	33%	0.325	C	S	.	.	H	α-helix	trans	-64.8	-31.7	-177.6	-61.1	-21.6	0	0	0	113.3	F143 V146 A154 L155 T160 F161 L162 Y198 F199 L276	F143-W158 HydrophobicContact CB-CZ2 4.25Å; F143-W158 AromaticContact CD1-CD1 3.93Å; F143-W158 AromaticContact CD1-CD2 3.93Å; F143-W158 HydrophobicContact CD1-CD2 3.93Å; F143-W158 AromaticContact CD1-CE2 3.52Å; F143-W158 HydrophobicContact CD1-CG 4.16Å; F143-W158 AromaticContact CD1-CZ2 3.89Å; F143-W158 HydrophobicContact CD1-CZ2 3.89Å; F143-W158 AromaticContact CD1-NE1 3.55Å; F143-W158 HydrophobicContact CE1-CB 4.47Å; F143-W158 AromaticContact CE1-CD1 3.83Å; F143-W158 HydrophobicContact CE1-CD2 4.03Å; F143-W158 AromaticContact CE1-CG 3.87Å; F143-W158 HydrophobicContact CE1-CG 3.87Å; F143-W158 AromaticContact CE1-NE1 3.96Å; F143-W158 HydrophobicContact CG-CZ2 4.44Å; V146-W158 HydrophobicContact CG2-CH2 3.43Å; V146-W158 VanDerWaalsContact CG2-CH2 3.43Å; V146-W158 HydrophobicContact CG2-CZ2 3.68Å; V146-W158 HydrophobicContact CG2-CZ3 4.48Å; A154-W158 HydrophobicContact CB-CH2 4.19Å; A154-W158 HydrophobicContact CB-CZ2 4.06Å; A154-W158 HydrophobicContact CB-CZ3 4.42Å; A154-W158 PolarHBondContact O-N 3.1Å; L155-W158 HydrophobicContact CD2-CE3 4.13Å; L155-W158 HydrophobicContact CD2-CZ3 4.39Å; L155-W158 PolarHBondContact O-N 3.05Å; W158-T160 PolarHBondContact O-N 3.34Å; W158-T160 VanDerWaalsContact O-N 3.1Å; W158-F161 PolarHBondContact O-N 2.87Å; W158-L162 PolarHBondContact O-N 3.04Å; W158-Y198 PolarHBondContact NE1-O 2.93Å; W158-F199 HydrophobicContact CZ2-CB 4.14Å; W158-L276 HydrophobicContact CE3-CD2 4.21Å; W158-L276 HydrophobicContact CH2-CD1 4.39Å; W158-L276 HydrophobicContact CH2-CD2 4.18Å; W158-L276 HydrophobicContact CZ3-CD1 4.37Å; W158-L276 HydrophobicContact CZ3-CD2 3.44Å; W158-L276 VanDerWaalsContact CZ3-CD2 3.44Å; W158-L276 HydrophobicContact CZ3-CG 4.47Å
159	K	94	Very high	94.4	Very high	119 Å²	119	49.4 Å²	49.4	52%	0.517	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.3	173.6	-82	171.5	-177.4	177.6	0	113.6	L155 C157 F161 L162 I281	L155-K159 WeakPolarHBondContact O-CB 3.29Å; L155-K159 VanDerWaalsContact O-CG 3.23Å; L155-K159 WeakPolarHBondContact O-CG 3.41Å; L155-K159 PolarHBondContact O-N 2.92Å; C157-K159 VanDerWaalsContact C-N 3.27Å; C157-K159 PolarHBondContact O-N 3.13Å; K159-F161 VanDerWaalsContact C-N 3.25Å; K159-F161 PolarHBondContact O-N 3.29Å; K159-L162 HydrophobicContact CG-CD1 4.07Å; K159-I281 HydrophobicContact CG-CG2 4.03Å
160	T	94.9	Very high	94.7	Very high	92 Å²	92	46.5 Å²	46.5	56%	0.564	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-19	178.4	69.6	0	0	0	0	113.2	C157 W158	C157-T160 PolarHBondContact O-N 2.85Å; C157-T160 VanDerWaalsContact O-N 3.09Å; C157-T160 PolarHBondContact O-OG1 2.79Å; W158-T160 PolarHBondContact O-N 3.34Å; W158-T160 VanDerWaalsContact O-N 3.1Å
161	F	95.8	Very high	95	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.075	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-14.9	-179.9	-54.5	-63.4	0	0	0	113.5	W158 K159 H163 T170 S173 I174 A177 W194 Y198 L200	W158-F161 PolarHBondContact O-N 2.87Å; K159-F161 VanDerWaalsContact C-N 3.25Å; K159-F161 PolarHBondContact O-N 3.29Å; F161-H163 PolarHBondContact O-N 2.93Å; F161-T170 HydrophobicContact CB-CG2 4.37Å; F161-S173 WeakPolarHBondContact O-CB 3.34Å; F161-I174 HydrophobicContact CB-CD1 4.41Å; F161-I174 HydrophobicContact CB-CG1 3.65Å; F161-I174 HydrophobicContact CD1-CG1 4.28Å; F161-I174 HydrophobicContact CD2-CG1 4.04Å; F161-I174 HydrophobicContact CG-CG1 3.74Å; F161-A177 HydrophobicContact CD1-CB 4.24Å; F161-A177 HydrophobicContact CE1-CB 3.67Å; F161-W194 HydrophobicContact CE1-CH2 4.45Å; F161-W194 HydrophobicContact CE1-CZ2 4.1Å; F161-W194 HydrophobicContact CZ-CH2 4.14Å; F161-W194 AromaticContact CZ-CZ2 3.82Å; F161-W194 HydrophobicContact CZ-CZ2 3.82Å; F161-Y198 AromaticContact CE2-CD1 3.45Å; F161-Y198 HydrophobicContact CE2-CD1 3.45Å; F161-Y198 VanDerWaalsContact CE2-CD1 3.45Å; F161-Y198 HydrophobicContact CE2-CE1 4.17Å; F161-Y198 HydrophobicContact CE2-CG 4.08Å; F161-Y198 AromaticContact CZ-CD1 3.38Å; F161-Y198 HydrophobicContact CZ-CD1 3.38Å; F161-Y198 AromaticContact CZ-CE1 3.79Å; F161-Y198 HydrophobicContact CZ-CE1 3.79Å; F161-Y198 AromaticContact CZ-CG 3.92Å; F161-Y198 HydrophobicContact CZ-CG 3.92Å; F161-L200 HydrophobicContact CE2-CD1 4.2Å; F161-L200 HydrophobicContact CZ-CD1 4.37Å
162	L	95.6	Very high	95.3	Very high	37 Å²	37	42.1 Å²	42.1	19%	0.194	23%	0.231	C	C	.	.			trans	-58	127.4	-175.5	-66.4	-175.9	0	0	0	110.9	W158 K159 T170 I281 T282	W158-L162 PolarHBondContact O-N 3.04Å; K159-L162 HydrophobicContact CG-CD1 4.07Å; L162-T170 HydrophobicContact CD2-CG2 4.04Å; L162-I281 HydrophobicContact CD1-CB 4.2Å; L162-I281 HydrophobicContact CD1-CD1 4.45Å; L162-I281 HydrophobicContact CD1-CG2 3.92Å; L162-T282 HydrophobicContact CD1-CG2 3.99Å
163	H	96.6	Very high	95.6	Very high	40 Å²	40	35.7 Å²	35.7	19%	0.185	20%	0.203	C	C	.	.			trans	-103.5	136.8	174.3	-162.8	-87.5	0	0	0	110.2	F161 E165 G166 F169 T170 F231	F161-H163 PolarHBondContact O-N 2.93Å; H163-E165 WeakPolarHBondContact CE1-CG 3.43Å; H163-E165 WeakPolarHBondContact ND1-CB 3.27Å; H163-E165 WeakPolarHBondContact ND1-CG 3.42Å; H163-E165 PolarHBondContact ND1-N 3.45Å; H163-E165 PolarHBondContact O-N 2.93Å; H163-G166 PolarHBondContact O-N 2.85Å; H163-F169 HydrophobicContact CB-CB 3.51Å; H163-F169 AromaticContact CE1-CD1 3.72Å; H163-F169 VanDerWaalsContact ND1-CB 3.28Å; H163-F169 WeakPolarHBondContact ND1-CB 3.38Å; H163-F169 AromaticContact ND1-CD1 3.75Å; H163-F169 AromaticContact ND1-CG 3.65Å; H163-T170 PolarHBondContact N-OG1 3.03Å; H163-F231 AromaticContact CD2-CZ 3.99Å
164	P	94.3	Very high	95.8	Very high	94 Å²	94	33.3 Å²	33.3	61%	0.61	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.7	-177.7	22.9	-34	0	0	0	113.5	G166 Y279	P164-G166 PolarHBondContact O-N 3.02Å; P164-Y279 WeakPolarHBondContact O-CE1 3.43Å
165	E	95.6	Very high	96.1	Very high	50 Å²	50	34 Å²	34	23%	0.234	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.2	179	-51.7	-65.1	134.2	0	0	113.9	H163 F169 T237 K241 Y279 S306	H163-E165 WeakPolarHBondContact CE1-CG 3.43Å; H163-E165 WeakPolarHBondContact ND1-CB 3.27Å; H163-E165 WeakPolarHBondContact ND1-CG 3.42Å; H163-E165 PolarHBondContact ND1-N 3.45Å; H163-E165 PolarHBondContact O-N 2.93Å; E165-F169 HydrophobicContact CB-CB 4.38Å; E165-F169 HydrophobicContact CB-CD1 3.95Å; E165-F169 HydrophobicContact CB-CD2 3.52Å; E165-F169 HydrophobicContact CB-CE1 4.11Å; E165-F169 HydrophobicContact CB-CE2 3.68Å; E165-F169 HydrophobicContact CB-CG 3.69Å; E165-F169 HydrophobicContact CB-CZ 3.98Å; E165-F169 HydrophobicContact CG-CD1 4.43Å; E165-F169 HydrophobicContact CG-CE1 4.44Å; E165-F169 WeakPolarHBondContact O-CD2 3.36Å; E165-T237 HydrophobicContact CB-CG2 4.4Å; E165-T237 HydrophobicContact CG-CG2 3.61Å; E165-K241 WeakPolarHBondContact OE2-CE 3.34Å; E165-K241 IonicContact OE2-NZ 3.62Å; E165-K241 PolarHBondContact OE2-NZ 3.49Å; E165-Y279 PolarHBondContact O-OH 2.88Å; E165-Y279 VanDerWaalsContact O-OH 3.13Å; E165-S306 WeakPolarHBondContact O-CB 3.39Å; E165-S306 PolarHBondContact O-OG 2.98Å; E165-S306 VanDerWaalsContact O-OG 3.07Å
166	G	96.8	Very high	96.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.01	19%	0.186	C	C	.	.			trans	115.2	-168.1	168.5	0	0	0	0	0	115.5	H163 P164 F169 T170 Y279 T305	H163-G166 PolarHBondContact O-N 2.85Å; P164-G166 PolarHBondContact O-N 3.02Å; G166-F169 PolarHBondContact O-N 2.98Å; G166-T170 PolarHBondContact O-N 3.3Å; G166-T170 PolarHBondContact O-OG1 3.23Å; G166-Y279 WeakPolarHBondContact CA-OH 3.5Å; G166-Y279 PolarHBondContact N-OH 3.28Å; G166-T305 CarbonylContact C-O 3.53Å; G166-T305 WeakPolarHBondContact CA-O 3.33Å
167	D	97.8	Very high	96.5	Very high	17 Å²	17	31.2 Å²	31.2	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-71.2	-35.3	-169.6	-59.2	-36.9	0	0	0	112.1	F169 T170 L171 S277 G278 I304 T305	D167-F169 VanDerWaalsContact C-N 3.28Å; D167-F169 PolarHBondContact O-N 2.91Å; D167-T170 WeakPolarHBondContact O-CB 3.43Å; D167-T170 PolarHBondContact O-N 2.98Å; D167-T170 VanDerWaalsContact O-N 3.14Å; D167-L171 WeakPolarHBondContact O-CG 3.47Å; D167-L171 PolarHBondContact O-N 3.13Å; D167-S277 WeakPolarHBondContact OD1-CA 3.32Å; D167-S277 PolarHBondContact OD1-OG 3.43Å; D167-S277 WeakPolarHBondContact OD2-CB 3.44Å; D167-S277 PolarHBondContact OD2-OG 3.11Å; D167-G278 PolarHBondContact OD1-N 3.38Å; D167-I304 HydrophobicContact CB-CB 4.49Å; D167-I304 HydrophobicContact CB-CG2 4.18Å; D167-T305 WeakPolarHBondContact CB-O 3.49Å; D167-T305 PolarHBondContact N-O 3.27Å; D167-T305 PolarHBondContact OD2-N 3.17Å; D167-T305 PolarHBondContact OD2-OG1 2.99Å
168	H	98.3	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-43.1	175.6	-62.8	92	0	0	0	111.4	I133 L171 I172 L244 L290 I304 S306	I133-H168 HydrophobicContact CD1-CB 4.07Å; I133-H168 HydrophobicContact CG1-CB 4.43Å; H168-L171 WeakPolarHBondContact O-CB 3.42Å; H168-L171 PolarHBondContact O-N 2.86Å; H168-I172 PolarHBondContact O-N 3.18Å; H168-L244 HydrophobicContact CB-CD1 4.01Å; H168-L290 VanDerWaalsContact CE1-CD2 3.47Å; H168-L290 WeakPolarHBondContact CE1-CD2 3.48Å; H168-I304 PolarHBondContact CE1-O 2.83Å; H168-S306 WeakPolarHBondContact ND1-CB 3.41Å; H168-S306 PolarHBondContact ND1-OG 2.99Å
169	F	98.3	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.7	-35.3	176.7	-67.2	-102.5	0	0	0	111.9	H163 E165 G166 D167 L171 I172 S173 F231 T237 I240 K241	H163-F169 HydrophobicContact CB-CB 3.51Å; H163-F169 AromaticContact CE1-CD1 3.72Å; H163-F169 VanDerWaalsContact ND1-CB 3.28Å; H163-F169 WeakPolarHBondContact ND1-CB 3.38Å; H163-F169 AromaticContact ND1-CD1 3.75Å; H163-F169 AromaticContact ND1-CG 3.65Å; E165-F169 HydrophobicContact CB-CB 4.38Å; E165-F169 HydrophobicContact CB-CD1 3.95Å; E165-F169 HydrophobicContact CB-CD2 3.52Å; E165-F169 HydrophobicContact CB-CE1 4.11Å; E165-F169 HydrophobicContact CB-CE2 3.68Å; E165-F169 HydrophobicContact CB-CG 3.69Å; E165-F169 HydrophobicContact CB-CZ 3.98Å; E165-F169 HydrophobicContact CG-CD1 4.43Å; E165-F169 HydrophobicContact CG-CE1 4.44Å; E165-F169 WeakPolarHBondContact O-CD2 3.36Å; G166-F169 PolarHBondContact O-N 2.98Å; D167-F169 VanDerWaalsContact C-N 3.28Å; D167-F169 PolarHBondContact O-N 2.91Å; F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 3.07Å; F169-I172 WeakPolarHBondContact O-CB 3.34Å; F169-I172 PolarHBondContact O-N 3.49Å; F169-S173 PolarHBondContact O-N 2.91Å; F169-S173 PolarHBondContact O-OG 3Å; F169-F231 AromaticContact CD1-CE2 3.77Å; F169-F231 HydrophobicContact CD1-CE2 3.77Å; F169-F231 HydrophobicContact CD1-CZ 4.4Å; F169-T237 HydrophobicContact CE1-CG2 3.83Å; F169-T237 HydrophobicContact CZ-CG2 3.96Å; F169-I240 HydrophobicContact CE1-CB 4.25Å; F169-I240 HydrophobicContact CE1-CD1 3.87Å; F169-I240 HydrophobicContact CE1-CG2 4.22Å; F169-I240 HydrophobicContact CE2-CG2 4.23Å; F169-I240 HydrophobicContact CZ-CB 3.97Å; F169-I240 HydrophobicContact CZ-CD1 4.43Å; F169-I240 HydrophobicContact CZ-CG2 3.77Å; F169-K241 HydrophobicContact CE2-CG 4.2Å; F169-K241 HydrophobicContact CZ-CG 4.08Å
170	T	97.9	Very high	97.1	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-39.5	172.8	-59.2	0	0	0	0	111.2	F161 L162 H163 G166 D167 I172 S173 I174	F161-T170 HydrophobicContact CB-CG2 4.37Å; L162-T170 HydrophobicContact CD2-CG2 4.04Å; H163-T170 PolarHBondContact N-OG1 3.03Å; G166-T170 PolarHBondContact O-N 3.3Å; G166-T170 PolarHBondContact O-OG1 3.23Å; D167-T170 WeakPolarHBondContact O-CB 3.43Å; D167-T170 PolarHBondContact O-N 2.98Å; D167-T170 VanDerWaalsContact O-N 3.14Å; T170-I172 VanDerWaalsContact C-N 3.33Å; T170-I172 PolarHBondContact O-N 3.46Å; T170-S173 WeakPolarHBondContact O-CB 3.4Å; T170-S173 PolarHBondContact O-N 3.45Å; T170-I174 HydrophobicContact CG2-CD1 4.1Å; T170-I174 WeakPolarHBondContact O-CG1 3.48Å; T170-I174 PolarHBondContact O-N 2.85Å
171	L	98.4	Very high	97.1	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.068	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-39	175	-67	174.6	0	0	0	112	M136 V137 D167 H168 F169 I174 Y175 I304	M136-L171 HydrophobicContact CB-CB 4Å; M136-L171 HydrophobicContact CB-CD1 4.16Å; M136-L171 HydrophobicContact CB-CD2 4.4Å; M136-L171 HydrophobicContact CB-CG 4.41Å; M136-L171 HydrophobicContact CE-CB 4.42Å; M136-L171 HydrophobicContact CE-CD2 3.98Å; M136-L171 HydrophobicContact CG-CB 4.36Å; V137-L171 HydrophobicContact CG1-CD1 3.7Å; D167-L171 WeakPolarHBondContact O-CG 3.47Å; D167-L171 PolarHBondContact O-N 3.13Å; H168-L171 WeakPolarHBondContact O-CB 3.42Å; H168-L171 PolarHBondContact O-N 2.86Å; F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 3.07Å; L171-I174 PolarHBondContact O-N 2.82Å; L171-Y175 WeakPolarHBondContact O-CB 3.31Å; L171-Y175 PolarHBondContact O-N 3.42Å; L171-I304 HydrophobicContact CD1-CG2 3.93Å
172	I	98.4	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-48	172.4	-61.7	166.9	0	0	0	110.2	E129 T132 I133 H168 F169 T170 I174 Y175 K176 F231 I240	E129-I172 HydrophobicContact CB-CD1 3.82Å; E129-I172 HydrophobicContact CG-CD1 4.24Å; T132-I172 HydrophobicContact CG2-CG1 4.32Å; I133-I172 HydrophobicContact CD1-CD1 3.7Å; I133-I172 HydrophobicContact CD1-CG1 4.23Å; I133-I172 HydrophobicContact CG1-CD1 3.75Å; I133-I172 HydrophobicContact CG1-CG1 3.69Å; H168-I172 PolarHBondContact O-N 3.18Å; F169-I172 WeakPolarHBondContact O-CB 3.34Å; F169-I172 PolarHBondContact O-N 3.49Å; T170-I172 VanDerWaalsContact C-N 3.33Å; T170-I172 PolarHBondContact O-N 3.46Å; I172-I174 VanDerWaalsContact C-N 3.32Å; I172-I174 PolarHBondContact O-N 3.29Å; I172-Y175 PolarHBondContact O-N 3.13Å; I172-K176 HydrophobicContact CG2-CD 4.1Å; I172-K176 HydrophobicContact CG2-CG 4.23Å; I172-K176 WeakPolarHBondContact O-CG 3.4Å; I172-K176 PolarHBondContact O-N 3.25Å; I172-F231 HydrophobicContact CB-CD2 4.5Å; I172-F231 HydrophobicContact CB-CE1 4.46Å; I172-F231 HydrophobicContact CB-CE2 3.94Å; I172-F231 HydrophobicContact CB-CZ 3.92Å; I172-F231 HydrophobicContact CD1-CD2 4.03Å; I172-F231 HydrophobicContact CD1-CE2 3.67Å; I172-F231 HydrophobicContact CD1-CZ 4.47Å; I172-F231 HydrophobicContact CG1-CE2 4.43Å; I172-F231 HydrophobicContact CG2-CD1 3.97Å; I172-F231 HydrophobicContact CG2-CD2 3.84Å; I172-F231 HydrophobicContact CG2-CE1 3.87Å; I172-F231 HydrophobicContact CG2-CE2 3.73Å; I172-F231 HydrophobicContact CG2-CG 3.95Å; I172-F231 HydrophobicContact CG2-CZ 3.74Å; I172-I240 HydrophobicContact CD1-CD1 4.17Å
173	S	98.1	Very high	97	Very high	26 Å²	26	33.6 Å²	33.6	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-43.8	178.1	-60.9	0	0	0	0	112.3	F161 F169 T170 A177	F161-S173 WeakPolarHBondContact O-CB 3.34Å; F169-S173 PolarHBondContact O-N 2.91Å; F169-S173 PolarHBondContact O-OG 3Å; T170-S173 WeakPolarHBondContact O-CB 3.4Å; T170-S173 PolarHBondContact O-N 3.45Å; S173-A177 WeakPolarHBondContact O-CB 3.44Å; S173-A177 PolarHBondContact O-N 3.49Å
174	I	98.2	Very high	96.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-48.6	177	-68.3	168.9	0	0	0	110.5	M136 F143 F161 T170 L171 I172 K176 A177 Y178 L200 L205	M136-I174 HydrophobicContact CE-CB 4.44Å; M136-I174 HydrophobicContact CE-CG2 4.13Å; F143-I174 HydrophobicContact CE1-CD1 4.01Å; F143-I174 HydrophobicContact CZ-CD1 3.73Å; F161-I174 HydrophobicContact CB-CD1 4.41Å; F161-I174 HydrophobicContact CB-CG1 3.65Å; F161-I174 HydrophobicContact CD1-CG1 4.28Å; F161-I174 HydrophobicContact CD2-CG1 4.04Å; F161-I174 HydrophobicContact CG-CG1 3.74Å; T170-I174 HydrophobicContact CG2-CD1 4.1Å; T170-I174 WeakPolarHBondContact O-CG1 3.48Å; T170-I174 PolarHBondContact O-N 2.85Å; L171-I174 PolarHBondContact O-N 2.82Å; I172-I174 VanDerWaalsContact C-N 3.32Å; I172-I174 PolarHBondContact O-N 3.29Å; I174-K176 PolarHBondContact O-N 3.1Å; I174-A177 PolarHBondContact O-N 3.47Å; I174-Y178 WeakPolarHBondContact O-CB 3.45Å; I174-Y178 PolarHBondContact O-N 2.85Å; I174-L200 HydrophobicContact CG2-CD1 3.99Å; I174-L200 HydrophobicContact CG2-CD2 4.19Å; I174-L205 HydrophobicContact CG2-CD2 4.01Å
175	Y	98.4	Very high	96.7	Very high	14 Å²	14	35.3 Å²	35.3	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-43.6	-179.2	-178.7	-97.5	0	0	0	111.7	T132 M136 L171 I172 Y178 Q179 D209 R212	T132-Y175 HydrophobicContact CG2-CD1 3.35Å; T132-Y175 HydrophobicContact CG2-CD2 4.47Å; T132-Y175 HydrophobicContact CG2-CE1 4.09Å; T132-Y175 HydrophobicContact CG2-CG 3.57Å; M136-Y175 HydrophobicContact CG-CD2 4.47Å; M136-Y175 HydrophobicContact SD-CD2 3.95Å; M136-Y175 HydrophobicContact SD-CG 4.41Å; L171-Y175 WeakPolarHBondContact O-CB 3.31Å; L171-Y175 PolarHBondContact O-N 3.42Å; I172-Y175 PolarHBondContact O-N 3.13Å; Y175-Y178 WeakPolarHBondContact O-CB 3.5Å; Y175-Y178 PolarHBondContact O-N 3.39Å; Y175-Q179 HydrophobicContact CD1-CG 3.98Å; Y175-Q179 HydrophobicContact CE1-CG 3.56Å; Y175-Q179 HydrophobicContact CE2-CG 4.28Å; Y175-Q179 VanDerWaalsContact CZ-NE2 3.34Å; Y175-Q179 WeakPolarHBondContact O-CG 3.43Å; Y175-Q179 PolarHBondContact O-N 3.32Å; Y175-Q179 PolarHBondContact OH-NE2 3.46Å; Y175-Q179 VanDerWaalsContact OH-NE2 3.1Å; Y175-D209 HydrophobicContact CE2-CB 4.44Å; Y175-D209 PolarHBondContact OH-OD1 2.93Å; Y175-R212 VanDerWaalsContact CZ-CD 3.48Å; Y175-R212 WeakPolarHBondContact OH-CD 3.46Å
176	K	97.3	Very high	96.1	Very high	66 Å²	66	38.9 Å²	38.9	29%	0.287	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-46	176.2	-71.3	-168.9	179.4	-151.7	0	112.1	I172 I174 Y178 Q179 D180 F231	I172-K176 HydrophobicContact CG2-CD 4.1Å; I172-K176 HydrophobicContact CG2-CG 4.23Å; I172-K176 WeakPolarHBondContact O-CG 3.4Å; I172-K176 PolarHBondContact O-N 3.25Å; I174-K176 PolarHBondContact O-N 3.1Å; K176-Y178 VanDerWaalsContact C-N 3.28Å; K176-Y178 PolarHBondContact O-N 3.3Å; K176-Q179 PolarHBondContact O-N 3.4Å; K176-D180 PolarHBondContact O-N 2.91Å; K176-F231 HydrophobicContact CD-CD1 4.05Å
177	A	97.4	Very high	95.8	Very high	22 Å²	22	41.5 Å²	41.5	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-35.8	176.7	0	0	0	0	0	112.7	F161 S173 I174 T181 W194	F161-A177 HydrophobicContact CD1-CB 4.24Å; F161-A177 HydrophobicContact CE1-CB 3.67Å; S173-A177 WeakPolarHBondContact O-CB 3.44Å; S173-A177 PolarHBondContact O-N 3.49Å; I174-A177 PolarHBondContact O-N 3.47Å; A177-T181 WeakPolarHBondContact O-CB 3.36Å; A177-T181 PolarHBondContact O-N 3.26Å; A177-T181 PolarHBondContact O-OG1 3.1Å; A177-W194 HydrophobicContact CB-CH2 4.01Å; A177-W194 HydrophobicContact CB-CZ2 3.82Å
178	Y	97.7	Very high	95.5	Very high	10 Å²	10	46.4 Å²	46.4	4%	0.039	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-44.1	173.4	170.2	-99.9	0	0	0	112.3	I174 Y175 K176 T181 T182 V191 W194 L205 R206	I174-Y178 WeakPolarHBondContact O-CB 3.45Å; I174-Y178 PolarHBondContact O-N 2.85Å; Y175-Y178 WeakPolarHBondContact O-CB 3.5Å; Y175-Y178 PolarHBondContact O-N 3.39Å; K176-Y178 VanDerWaalsContact C-N 3.28Å; K176-Y178 PolarHBondContact O-N 3.3Å; Y178-T181 PolarHBondContact O-N 2.92Å; Y178-T182 WeakPolarHBondContact O-CB 3.47Å; Y178-T182 PolarHBondContact O-N 2.8Å; Y178-T182 PolarHBondContact O-OG1 2.89Å; Y178-V191 HydrophobicContact CD2-CG1 4.09Å; Y178-V191 HydrophobicContact CE2-CG1 3.5Å; Y178-W194 HydrophobicContact CD2-CZ3 4.14Å; Y178-L205 HydrophobicContact CD1-CB 4.21Å; Y178-L205 HydrophobicContact CD2-CB 3.96Å; Y178-L205 HydrophobicContact CD2-CD1 3.68Å; Y178-L205 HydrophobicContact CD2-CG 4.38Å; Y178-L205 HydrophobicContact CE1-CB 4.17Å; Y178-L205 HydrophobicContact CE2-CB 3.89Å; Y178-L205 HydrophobicContact CE2-CD1 4.27Å; Y178-L205 HydrophobicContact CG-CB 4.11Å; Y178-L205 HydrophobicContact CG-CD1 4.02Å; Y178-L205 HydrophobicContact CG-CG 4.46Å; Y178-R206 VanDerWaalsContact OH-CG 3.24Å; Y178-R206 WeakPolarHBondContact OH-CG 3.35Å
179	Q	96.9	Very high	95.3	Very high	43 Å²	43	53.5 Å²	53.5	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-47.7	176.2	-73.2	-64.9	-39.6	0	0	111.5	Y175 K176 T181 T182 L183 D209	Y175-Q179 HydrophobicContact CD1-CG 3.98Å; Y175-Q179 HydrophobicContact CE1-CG 3.56Å; Y175-Q179 HydrophobicContact CE2-CG 4.28Å; Y175-Q179 VanDerWaalsContact CZ-NE2 3.34Å; Y175-Q179 WeakPolarHBondContact O-CG 3.43Å; Y175-Q179 PolarHBondContact O-N 3.32Å; Y175-Q179 PolarHBondContact OH-NE2 3.46Å; Y175-Q179 VanDerWaalsContact OH-NE2 3.1Å; K176-Q179 PolarHBondContact O-N 3.4Å; Q179-T181 VanDerWaalsContact C-N 3.26Å; Q179-T181 PolarHBondContact O-N 2.66Å; Q179-T182 WeakPolarHBondContact O-CB 3.37Å; Q179-T182 PolarHBondContact O-N 3.02Å; Q179-L183 WeakPolarHBondContact O-CG 3.43Å; Q179-L183 PolarHBondContact O-N 3.01Å; Q179-D209 PolarHBondContact NE2-OD1 2.97Å
180	D	95.8	Very high	95	Very high	95 Å²	95	56 Å²	56	51%	0.508	31%	0.307	S	S	.	.	H	α-helix	trans	-58.6	-41.3	176.6	-71.2	-19.7	0	0	0	111.3	K176 L183 N184	K176-D180 PolarHBondContact O-N 2.91Å; D180-L183 PolarHBondContact O-N 3.03Å; D180-N184 WeakPolarHBondContact O-CB 3.34Å; D180-N184 PolarHBondContact O-N 3.24Å; D180-N184 PolarHBondContact O-ND2 3.11Å
181	T	96	Very high	94.9	Very high	23 Å²	23	56.1 Å²	56.1	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-41.9	175.4	-60.3	0	0	0	0	111.2	A177 Y178 Q179 N184 S185 V191 W194	A177-T181 WeakPolarHBondContact O-CB 3.36Å; A177-T181 PolarHBondContact O-N 3.26Å; A177-T181 PolarHBondContact O-OG1 3.1Å; Y178-T181 PolarHBondContact O-N 2.92Å; Q179-T181 VanDerWaalsContact C-N 3.26Å; Q179-T181 PolarHBondContact O-N 2.66Å; T181-N184 PolarHBondContact O-N 2.95Å; T181-S185 WeakPolarHBondContact O-CB 3.12Å; T181-S185 PolarHBondContact O-N 3.13Å; T181-S185 PolarHBondContact O-OG 3.3Å; T181-V191 HydrophobicContact CG2-CG2 4.48Å; T181-W194 HydrophobicContact CG2-CB 3.74Å; T181-W194 HydrophobicContact CG2-CD2 3.98Å; T181-W194 HydrophobicContact CG2-CE3 4.43Å; T181-W194 HydrophobicContact CG2-CG 3.65Å
182	T	94.3	Very high	94.8	Very high	54 Å²	54	59.2 Å²	59.2	33%	0.331	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-41.2	179.5	-59.1	0	0	0	0	111.6	Y178 Q179	Y178-T182 WeakPolarHBondContact O-CB 3.47Å; Y178-T182 PolarHBondContact O-N 2.8Å; Y178-T182 PolarHBondContact O-OG1 2.89Å; Q179-T182 WeakPolarHBondContact O-CB 3.37Å; Q179-T182 PolarHBondContact O-N 3.02Å
183	L	94.3	Very high	94.7	Very high	132 Å²	132	63.8 Å²	63.8	69%	0.691	34%	0.342	S	S	*	.	H	α-helix	trans	-70.7	-37.2	178.7	-69	170.7	0	0	0	113.1	Q179 D180	Q179-L183 WeakPolarHBondContact O-CG 3.43Å; Q179-L183 PolarHBondContact O-N 3.01Å; D180-L183 PolarHBondContact O-N 3.03Å
184	N	93.5	Very high	94.6	Very high	135 Å²	135	64.3 Å²	64.3	72%	0.722	34%	0.34	S	S	*	.	H	α-helix	trans	-89.7	-12.2	-177	-68	-56.9	0	0	0	113.8	D180 T181	D180-N184 WeakPolarHBondContact O-CB 3.34Å; D180-N184 PolarHBondContact O-N 3.24Å; D180-N184 PolarHBondContact O-ND2 3.11Å; T181-N184 PolarHBondContact O-N 2.95Å
185	S	90.3	Very high	94.5	Very high	35 Å²	35	64.4 Å²	64.4	25%	0.245	34%	0.341	C	S	.	.			trans	-83.2	137.3	-178.4	-72.5	0	0	0	0	112.1	T181 S187	T181-S185 WeakPolarHBondContact O-CB 3.12Å; T181-S185 PolarHBondContact O-N 3.13Å; T181-S185 PolarHBondContact O-OG 3.3Å; S185-S187 VanDerWaalsContact C-N 3.3Å; S185-S187 PolarHBondContact O-N 3.3Å
186	S	83.8	Confident	94.3	Very high	126 Å²	126	70 Å²	70	88%	0.881	36%	0.361	S	S	*	.	S	Bend	trans	-79.3	-11.6	177.4	-40.1	0	0	0	0	113.8
187	S	91.3	Very high	94.2	Very high	56 Å²	56	70.6 Å²	70.6	39%	0.392	37%	0.368	S	S	.	.	S	Bend	trans	-155	154.6	-178.9	71.9	0	0	0	0	112.6	S185 Y189 C190	S185-S187 VanDerWaalsContact C-N 3.3Å; S185-S187 PolarHBondContact O-N 3.3Å; S187-Y189 PolarHBondContact O-N 3.37Å; S187-C190 WeakPolarHBondContact O-CB 3.26Å; S187-C190 PolarHBondContact O-N 3.05Å; S187-C190 PolarHBondContact OG-SG 3.04Å; S187-C190 VanDerWaalsContact OG-SG 3.33Å
188	E	90.9	Very high	94.1	Very high	120 Å²	120	73.1 Å²	73.1	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-59	-32.9	175.7	-172.2	173.1	-169.7	0	0	112.6	C190 V191 E192 R206	E188-C190 VanDerWaalsContact C-N 3.27Å; E188-C190 PolarHBondContact O-N 2.88Å; E188-V191 PolarHBondContact O-N 2.84Å; E188-V191 VanDerWaalsContact O-N 3.13Å; E188-E192 PolarHBondContact O-N 2.9Å; E188-R206 VanDerWaalsContact CG-NH2 3.35Å; E188-R206 IonicContact OE1-CZ 2.82Å; E188-R206 IonicContact OE1-NE 3.53Å; E188-R206 IonicContact OE1-NH1 3.98Å; E188-R206 PolarHBondContact OE1-NH1 2.88Å; E188-R206 IonicContact OE1-NH2 2.82Å; E188-R206 PolarHBondContact OE1-NH2 3.27Å
189	Y	93.2	Very high	94.1	Very high	148 Å²	148	74.4 Å²	74.4	58%	0.58	38%	0.379	S	S	*	.	H	α-helix	trans	-58.8	-36.7	174.8	175.7	-97.4	0	0	0	112.8	S187 V191 K193	S187-Y189 PolarHBondContact O-N 3.37Å; Y189-V191 VanDerWaalsContact C-N 3.35Å; Y189-K193 VanDerWaalsContact O-CB 3.27Å; Y189-K193 WeakPolarHBondContact O-CB 3.48Å; Y189-K193 PolarHBondContact O-N 2.92Å
190	C	93.8	Very high	94	Very high	52 Å²	52	72.5 Å²	72.5	35%	0.351	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-40.2	177.2	-66	0	0	0	0	111.4	S187 E188 K193 W194	S187-C190 WeakPolarHBondContact O-CB 3.26Å; S187-C190 PolarHBondContact O-N 3.05Å; S187-C190 PolarHBondContact OG-SG 3.04Å; S187-C190 VanDerWaalsContact OG-SG 3.33Å; E188-C190 VanDerWaalsContact C-N 3.27Å; E188-C190 PolarHBondContact O-N 2.88Å; C190-K193 PolarHBondContact O-N 3.45Å; C190-W194 WeakPolarHBondContact O-CB 3.38Å; C190-W194 PolarHBondContact O-N 3.26Å
191	V	95.3	Very high	94.1	Very high	9 Å²	9	70.2 Å²	70.2	6%	0.055	36%	0.358	C	S	.	.	H	α-helix	trans	-67	-44.5	177.7	-175.2	0	0	0	0	110.9	Y178 T181 E188 Y189 K193 W194 C195	Y178-V191 HydrophobicContact CD2-CG1 4.09Å; Y178-V191 HydrophobicContact CE2-CG1 3.5Å; T181-V191 HydrophobicContact CG2-CG2 4.48Å; E188-V191 PolarHBondContact O-N 2.84Å; E188-V191 VanDerWaalsContact O-N 3.13Å; Y189-V191 VanDerWaalsContact C-N 3.35Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.32Å; V191-W194 PolarHBondContact O-N 2.9Å; V191-C195 PolarHBondContact O-N 2.64Å; V191-C195 PolarHBondContact O-SG 3.33Å
192	E	95.9	Very high	94.1	Very high	78 Å²	78	70 Å²	70	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-40	175.7	-71.6	-177.7	178.5	0	0	112.3	E188 C195 R196 R206	E188-E192 PolarHBondContact O-N 2.9Å; E192-C195 PolarHBondContact O-N 2.96Å; E192-R196 WeakPolarHBondContact O-CB 3.26Å; E192-R196 PolarHBondContact O-N 3.44Å; E192-R206 IonicContact OE1-CZ 3.24Å; E192-R206 IonicContact OE1-NH1 2.71Å; E192-R206 IonicContact OE1-NH2 3.15Å; E192-R206 PolarHBondContact OE1-NH2 3Å
193	K	95.6	Very high	94.3	Very high	96 Å²	96	71.1 Å²	71.1	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-47.8	173.5	171.5	168.7	-178.3	-170.8	0	111	Y189 C190 V191 C195 R196 D197	Y189-K193 VanDerWaalsContact O-CB 3.27Å; Y189-K193 WeakPolarHBondContact O-CB 3.48Å; Y189-K193 PolarHBondContact O-N 2.92Å; C190-K193 PolarHBondContact O-N 3.45Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.32Å; K193-C195 VanDerWaalsContact C-N 3.35Å; K193-C195 PolarHBondContact O-N 3.47Å; K193-R196 VanDerWaalsContact CG-NH2 3.34Å; K193-R196 PolarHBondContact O-N 3.18Å; K193-D197 WeakPolarHBondContact CE-OD2 3.21Å; K193-D197 WeakPolarHBondContact CG-OD2 3.47Å; K193-D197 WeakPolarHBondContact O-CB 3.34Å; K193-D197 PolarHBondContact O-N 2.58Å
194	W	96.4	Very high	94.4	Very high	37 Å²	37	64.9 Å²	64.9	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-47	176.7	178.3	90.9	0	0	0	111.6	F161 A177 Y178 T181 C190 V191 R196 D197 Y198 L200	F161-W194 HydrophobicContact CE1-CH2 4.45Å; F161-W194 HydrophobicContact CE1-CZ2 4.1Å; F161-W194 HydrophobicContact CZ-CH2 4.14Å; F161-W194 AromaticContact CZ-CZ2 3.82Å; F161-W194 HydrophobicContact CZ-CZ2 3.82Å; A177-W194 HydrophobicContact CB-CH2 4.01Å; A177-W194 HydrophobicContact CB-CZ2 3.82Å; Y178-W194 HydrophobicContact CD2-CZ3 4.14Å; T181-W194 HydrophobicContact CG2-CB 3.74Å; T181-W194 HydrophobicContact CG2-CD2 3.98Å; T181-W194 HydrophobicContact CG2-CE3 4.43Å; T181-W194 HydrophobicContact CG2-CG 3.65Å; C190-W194 WeakPolarHBondContact O-CB 3.38Å; C190-W194 PolarHBondContact O-N 3.26Å; V191-W194 PolarHBondContact O-N 2.9Å; W194-R196 VanDerWaalsContact C-N 3.3Å; W194-R196 PolarHBondContact O-N 2.86Å; W194-D197 PolarHBondContact O-N 3.19Å; W194-Y198 AromaticContact CD1-CD2 3.78Å; W194-Y198 AromaticContact CD1-CE2 3.59Å; W194-Y198 HydrophobicContact CD2-CD2 4.15Å; W194-Y198 AromaticContact CE2-CD2 3.77Å; W194-Y198 AromaticContact CE2-CE2 3.96Å; W194-Y198 HydrophobicContact CG-CD2 4.14Å; W194-Y198 HydrophobicContact CG-CE2 4.38Å; W194-Y198 HydrophobicContact CZ2-CD2 4.34Å; W194-Y198 AromaticContact NE1-CD2 3.54Å; W194-Y198 AromaticContact NE1-CE2 3.28Å; W194-Y198 VanDerWaalsContact NE1-CE2 3.28Å; W194-Y198 WeakPolarHBondContact O-CD2 3.21Å; W194-Y198 PolarHBondContact O-N 3.04Å; W194-L200 HydrophobicContact CH2-CD1 3.64Å; W194-L200 HydrophobicContact CZ3-CD1 3.63Å
195	C	96.7	Very high	94.7	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-45.3	176.8	-66.9	0	0	0	0	111.3	V191 E192 K193 Y198 F199 L200 C202	V191-C195 PolarHBondContact O-N 2.64Å; V191-C195 PolarHBondContact O-SG 3.33Å; E192-C195 PolarHBondContact O-N 2.96Å; K193-C195 VanDerWaalsContact C-N 3.35Å; K193-C195 PolarHBondContact O-N 3.47Å; C195-Y198 CarbonylContact O-C 3.59Å; C195-Y198 PolarHBondContact O-N 2.92Å; C195-F199 PolarHBondContact O-N 2.87Å; C195-F199 VanDerWaalsContact O-N 3.13Å; C195-L200 CarbonylContact C-O 3.6Å; C195-L200 HydrophobicContact CB-CB 4.31Å; C195-L200 PolarHBondContact O-N 2.84Å; C195-C202 HydrophobicContact CB-CB 3.76Å; C195-C202 VanDerWaalsContact SG-SG 3.68Å
196	R	95	Very high	95	Very high	131 Å²	131	60.4 Å²	60.4	49%	0.494	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-44.2	177.5	-176.8	-179.7	60.5	-104.3	-3.5	112.4	E192 K193 W194 Y198 F199	E192-R196 WeakPolarHBondContact O-CB 3.26Å; E192-R196 PolarHBondContact O-N 3.44Å; K193-R196 VanDerWaalsContact CG-NH2 3.34Å; K193-R196 PolarHBondContact O-N 3.18Å; W194-R196 VanDerWaalsContact C-N 3.3Å; W194-R196 PolarHBondContact O-N 2.86Å; R196-Y198 PolarHBondContact O-N 3.11Å; R196-F199 PolarHBondContact O-N 2.87Å; R196-F199 VanDerWaalsContact O-N 3.11Å
197	D	94.5	Very high	95.7	Very high	79 Å²	79	59 Å²	59	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-26.8	-178.2	-65.2	-9.5	0	0	0	111.5	K193 W194	K193-D197 WeakPolarHBondContact CE-OD2 3.21Å; K193-D197 WeakPolarHBondContact CG-OD2 3.47Å; K193-D197 WeakPolarHBondContact O-CB 3.34Å; K193-D197 PolarHBondContact O-N 2.58Å; W194-D197 PolarHBondContact O-N 3.19Å
198	Y	95.8	Very high	96.1	Very high	76 Å²	76	56.3 Å²	56.3	30%	0.298	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	9.7	175.1	-76	-91.4	0	0	0	114.6	C157 W158 F161 W194 C195 R196 L200	C157-Y198 HydrophobicContact CB-CD1 3.97Å; W158-Y198 PolarHBondContact NE1-O 2.93Å; F161-Y198 AromaticContact CE2-CD1 3.45Å; F161-Y198 HydrophobicContact CE2-CD1 3.45Å; F161-Y198 VanDerWaalsContact CE2-CD1 3.45Å; F161-Y198 HydrophobicContact CE2-CE1 4.17Å; F161-Y198 HydrophobicContact CE2-CG 4.08Å; F161-Y198 AromaticContact CZ-CD1 3.38Å; F161-Y198 HydrophobicContact CZ-CD1 3.38Å; F161-Y198 AromaticContact CZ-CE1 3.79Å; F161-Y198 HydrophobicContact CZ-CE1 3.79Å; F161-Y198 AromaticContact CZ-CG 3.92Å; F161-Y198 HydrophobicContact CZ-CG 3.92Å; W194-Y198 AromaticContact CD1-CD2 3.78Å; W194-Y198 AromaticContact CD1-CE2 3.59Å; W194-Y198 HydrophobicContact CD2-CD2 4.15Å; W194-Y198 AromaticContact CE2-CD2 3.77Å; W194-Y198 AromaticContact CE2-CE2 3.96Å; W194-Y198 HydrophobicContact CG-CD2 4.14Å; W194-Y198 HydrophobicContact CG-CE2 4.38Å; W194-Y198 HydrophobicContact CZ2-CD2 4.34Å; W194-Y198 AromaticContact NE1-CD2 3.54Å; W194-Y198 AromaticContact NE1-CE2 3.28Å; W194-Y198 VanDerWaalsContact NE1-CE2 3.28Å; W194-Y198 WeakPolarHBondContact O-CD2 3.21Å; W194-Y198 PolarHBondContact O-N 3.04Å; C195-Y198 CarbonylContact O-C 3.59Å; C195-Y198 PolarHBondContact O-N 2.92Å; R196-Y198 PolarHBondContact O-N 3.11Å; Y198-L200 PolarHBondContact O-N 3.5Å
199	F	96.1	Very high	96.4	Very high	36 Å²	36	53.5 Å²	53.5	16%	0.158	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	38.3	-178	-56.9	-97.8	0	0	0	113.2	S144 V146 A150 A153 A154 C157 W158 C195 R196	S144-F199 WeakPolarHBondContact CB-O 3.31Å; S144-F199 PolarHBondContact N-O 3.35Å; V146-F199 HydrophobicContact CG1-CD1 4.41Å; V146-F199 HydrophobicContact CG1-CE1 4.44Å; A150-F199 HydrophobicContact CB-CE1 3.96Å; A150-F199 HydrophobicContact CB-CZ 4.16Å; A153-F199 HydrophobicContact CB-CE2 4.32Å; A153-F199 HydrophobicContact CB-CZ 4.22Å; A154-F199 HydrophobicContact CB-CB 4.16Å; A154-F199 HydrophobicContact CB-CD1 3.91Å; A154-F199 HydrophobicContact CB-CD2 3.77Å; A154-F199 HydrophobicContact CB-CE1 4.19Å; A154-F199 HydrophobicContact CB-CE2 4.07Å; A154-F199 HydrophobicContact CB-CG 3.68Å; A154-F199 HydrophobicContact CB-CZ 4.27Å; C157-F199 HydrophobicContact CB-CD2 4.37Å; W158-F199 HydrophobicContact CZ2-CB 4.14Å; C195-F199 PolarHBondContact O-N 2.87Å; C195-F199 VanDerWaalsContact O-N 3.13Å; R196-F199 PolarHBondContact O-N 2.87Å; R196-F199 VanDerWaalsContact O-N 3.11Å
200	L	96.6	Very high	96.7	Very high	4 Å²	4	50 Å²	50	2%	0.021	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-104.8	152.9	176.2	-62.1	174.4	0	0	0	111.1	C142 F143 S144 F161 I174 W194 C195 Y198 L205	C142-L200 CarbonylContact O-C 3.59Å; C142-L200 VanDerWaalsContact O-CA 3.29Å; C142-L200 WeakPolarHBondContact O-CA 3.4Å; F143-L200 HydrophobicContact CD1-CD2 4.18Å; F143-L200 HydrophobicContact CE1-CD2 4.38Å; S144-L200 PolarHBondContact OG-O 3.05Å; F161-L200 HydrophobicContact CE2-CD1 4.2Å; F161-L200 HydrophobicContact CZ-CD1 4.37Å; I174-L200 HydrophobicContact CG2-CD1 3.99Å; I174-L200 HydrophobicContact CG2-CD2 4.19Å; W194-L200 HydrophobicContact CH2-CD1 3.64Å; W194-L200 HydrophobicContact CZ3-CD1 3.63Å; C195-L200 CarbonylContact C-O 3.6Å; C195-L200 HydrophobicContact CB-CB 4.31Å; C195-L200 PolarHBondContact O-N 2.84Å; Y198-L200 PolarHBondContact O-N 3.5Å; L200-L205 HydrophobicContact CB-CD1 4.08Å; L200-L205 HydrophobicContact CD1-CD1 4.27Å
201	N	96.7	Very high	96.9	Very high	47 Å²	47	48.7 Å²	48.7	25%	0.251	24%	0.236	S	C	.	.			trans	-93.3	104.3	179.2	-177.4	-14.3	0	0	0	109.4	C142 S144 S203 A204 L205	C142-N201 PolarHBondContact O-N 3.4Å; S144-N201 VanDerWaalsContact OG-CA 3.32Å; S144-N201 WeakPolarHBondContact OG-CA 3.35Å; S144-N201 PolarHBondContact OG-N 3.21Å; S144-N201 VanDerWaalsContact OG-N 3.16Å; N201-S203 VanDerWaalsContact C-N 3.31Å; N201-S203 PolarHBondContact O-N 3.21Å; N201-S203 PolarHBondContact OD1-N 2.98Å; N201-S203 VanDerWaalsContact OD1-N 3.1Å; N201-S203 PolarHBondContact OD1-OG 2.63Å; N201-A204 HydrophobicContact CB-CB 3.84Å; N201-A204 PolarHBondContact O-N 2.87Å; N201-A204 PolarHBondContact OD1-N 2.86Å; N201-L205 PolarHBondContact O-N 3.25Å; N201-L205 VanDerWaalsContact O-N 3.07Å
202	C	96.8	Very high	97	Very high	17 Å²	17	49.6 Å²	49.6	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-35.8	-177.4	-166.1	0	0	0	0	112.8	C195 L205 R206	C195-C202 HydrophobicContact CB-CB 3.76Å; C195-C202 VanDerWaalsContact SG-SG 3.68Å; C202-L205 PolarHBondContact O-N 3.31Å; C202-R206 WeakPolarHBondContact O-CG 3.46Å; C202-R206 PolarHBondContact O-N 3.11Å; C202-R206 PolarHBondContact SG-NH2 3.3Å
203	S	97.1	Very high	97.2	Very high	78 Å²	78	48.7 Å²	48.7	55%	0.545	24%	0.244	S	C	.	.	H	α-helix	trans	-72.1	-35.2	179.7	65.4	0	0	0	0	111.8	N201 R206 M207	N201-S203 VanDerWaalsContact C-N 3.31Å; N201-S203 PolarHBondContact O-N 3.21Å; N201-S203 PolarHBondContact OD1-N 2.98Å; N201-S203 VanDerWaalsContact OD1-N 3.1Å; N201-S203 PolarHBondContact OD1-OG 2.63Å; S203-R206 PolarHBondContact O-N 3.09Å; S203-M207 WeakPolarHBondContact O-CB 3.31Å; S203-M207 PolarHBondContact O-N 2.62Å
204	A	97.9	Very high	97.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-43.3	172.4	0	0	0	0	0	112	P140 N201 M207 A208	P140-A204 HydrophobicContact CB-CB 4.22Å; P140-A204 WeakPolarHBondContact O-CB 3.38Å; N201-A204 HydrophobicContact CB-CB 3.84Å; N201-A204 PolarHBondContact O-N 2.87Å; N201-A204 PolarHBondContact OD1-N 2.86Å; A204-M207 WeakPolarHBondContact O-CB 3.31Å; A204-M207 PolarHBondContact O-N 3.34Å; A204-A208 PolarHBondContact O-N 3.24Å
205	L	98.3	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-39.9	177.4	-69.8	169.8	0	0	0	112.5	M136 C142 I174 Y178 L200 N201 C202 M207 A208 D209	M136-L205 HydrophobicContact CE-CD2 3.72Å; M136-L205 HydrophobicContact SD-CD2 3.94Å; C142-L205 HydrophobicContact CB-CD2 4.03Å; C142-L205 HydrophobicContact CB-CG 4.41Å; I174-L205 HydrophobicContact CG2-CD2 4.01Å; Y178-L205 HydrophobicContact CD1-CB 4.21Å; Y178-L205 HydrophobicContact CD2-CB 3.96Å; Y178-L205 HydrophobicContact CD2-CD1 3.68Å; Y178-L205 HydrophobicContact CD2-CG 4.38Å; Y178-L205 HydrophobicContact CE1-CB 4.17Å; Y178-L205 HydrophobicContact CE2-CB 3.89Å; Y178-L205 HydrophobicContact CE2-CD1 4.27Å; Y178-L205 HydrophobicContact CG-CB 4.11Å; Y178-L205 HydrophobicContact CG-CD1 4.02Å; Y178-L205 HydrophobicContact CG-CG 4.46Å; L200-L205 HydrophobicContact CB-CD1 4.08Å; L200-L205 HydrophobicContact CD1-CD1 4.27Å; N201-L205 PolarHBondContact O-N 3.25Å; N201-L205 VanDerWaalsContact O-N 3.07Å; C202-L205 PolarHBondContact O-N 3.31Å; L205-M207 VanDerWaalsContact C-N 3.33Å; L205-A208 PolarHBondContact O-N 2.99Å; L205-D209 PolarHBondContact O-N 3.36Å
206	R	97.6	Very high	97.4	Very high	76 Å²	76	48.4 Å²	48.4	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-41.6	171.5	-72.8	178	-166.1	165.4	8.7	112	Y178 E188 E192 C202 S203 A208 D209 V210	Y178-R206 VanDerWaalsContact OH-CG 3.24Å; Y178-R206 WeakPolarHBondContact OH-CG 3.35Å; E188-R206 VanDerWaalsContact CG-NH2 3.35Å; E188-R206 IonicContact OE1-CZ 2.82Å; E188-R206 IonicContact OE1-NE 3.53Å; E188-R206 IonicContact OE1-NH1 3.98Å; E188-R206 PolarHBondContact OE1-NH1 2.88Å; E188-R206 IonicContact OE1-NH2 2.82Å; E188-R206 PolarHBondContact OE1-NH2 3.27Å; E192-R206 IonicContact OE1-CZ 3.24Å; E192-R206 IonicContact OE1-NH1 2.71Å; E192-R206 IonicContact OE1-NH2 3.15Å; E192-R206 PolarHBondContact OE1-NH2 3Å; C202-R206 WeakPolarHBondContact O-CG 3.46Å; C202-R206 PolarHBondContact O-N 3.11Å; C202-R206 PolarHBondContact SG-NH2 3.3Å; S203-R206 PolarHBondContact O-N 3.09Å; R206-A208 VanDerWaalsContact C-N 3.35Å; R206-D209 WeakPolarHBondContact O-CB 3.41Å; R206-D209 PolarHBondContact O-N 2.88Å; R206-V210 PolarHBondContact O-N 3.19Å; R206-V210 VanDerWaalsContact O-N 3.13Å
207	M	98.4	Very high	97.6	Very high	96 Å²	96	48.5 Å²	48.5	47%	0.473	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.9	-172	68.2	74	0	0	111.4	A139 S203 A204 L205 D209 V210 I211	A139-M207 HydrophobicContact CB-CB 4.45Å; A139-M207 HydrophobicContact CB-CG 4.46Å; S203-M207 WeakPolarHBondContact O-CB 3.31Å; S203-M207 PolarHBondContact O-N 2.62Å; A204-M207 WeakPolarHBondContact O-CB 3.31Å; A204-M207 PolarHBondContact O-N 3.34Å; L205-M207 VanDerWaalsContact C-N 3.33Å; M207-D209 VanDerWaalsContact C-N 3.27Å; M207-D209 PolarHBondContact O-N 3.45Å; M207-V210 PolarHBondContact O-N 3.44Å; M207-I211 HydrophobicContact CG-CD1 3.91Å; M207-I211 HydrophobicContact CG-CG1 4.49Å; M207-I211 WeakPolarHBondContact O-CG1 3.44Å; M207-I211 PolarHBondContact O-N 2.84Å
208	A	98.6	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-39.2	174.4	0	0	0	0	0	111.5	A135 M136 A139 A204 L205 R206 V210 I211 R212	A135-A208 HydrophobicContact CB-CB 4.39Å; A135-A208 VanDerWaalsContact CB-O 3.31Å; A135-A208 WeakPolarHBondContact CB-O 3.33Å; M136-A208 HydrophobicContact CG-CB 4.47Å; M136-A208 HydrophobicContact SD-CB 3.67Å; A139-A208 HydrophobicContact CB-CB 3.85Å; A204-A208 PolarHBondContact O-N 3.24Å; L205-A208 PolarHBondContact O-N 2.99Å; R206-A208 VanDerWaalsContact C-N 3.35Å; A208-V210 PolarHBondContact O-N 3.09Å; A208-I211 PolarHBondContact O-N 3.3Å; A208-R212 VanDerWaalsContact O-CB 3.32Å; A208-R212 WeakPolarHBondContact O-CB 3.49Å; A208-R212 PolarHBondContact O-N 3.18Å
209	D	98.3	Very high	97.8	Very high	61 Å²	61	42.1 Å²	42.1	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-44.3	176.4	-161.6	47.4	0	0	0	112.8	Y175 Q179 L205 R206 M207 R212 A213	Y175-D209 HydrophobicContact CE2-CB 4.44Å; Y175-D209 PolarHBondContact OH-OD1 2.93Å; Q179-D209 PolarHBondContact NE2-OD1 2.97Å; L205-D209 PolarHBondContact O-N 3.36Å; R206-D209 WeakPolarHBondContact O-CB 3.41Å; R206-D209 PolarHBondContact O-N 2.88Å; M207-D209 VanDerWaalsContact C-N 3.27Å; M207-D209 PolarHBondContact O-N 3.45Å; D209-R212 PolarHBondContact O-N 3.07Å; D209-A213 PolarHBondContact O-N 3.22Å
210	V	98.5	Very high	97.8	Very high	75 Å²	75	47 Å²	47	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-50.6	175.2	175.5	0	0	0	0	111	R206 M207 A208 R212 A213 E214	R206-V210 PolarHBondContact O-N 3.19Å; R206-V210 VanDerWaalsContact O-N 3.13Å; M207-V210 PolarHBondContact O-N 3.44Å; A208-V210 PolarHBondContact O-N 3.09Å; V210-R212 VanDerWaalsContact C-N 3.3Å; V210-R212 PolarHBondContact O-N 3.02Å; V210-A213 WeakPolarHBondContact O-CB 3.42Å; V210-A213 PolarHBondContact O-N 3.06Å; V210-A213 VanDerWaalsContact O-N 3.15Å; V210-E214 WeakPolarHBondContact O-CG 3.46Å; V210-E214 PolarHBondContact O-N 3.25Å
211	I	98.7	Very high	97.9	Very high	24 Å²	24	54 Å²	54	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-44.5	179.4	-67.1	165.1	0	0	0	110.3	A135 T138 A139 M207 A208 A213 E214 L215	A135-I211 HydrophobicContact CB-CB 4.27Å; A135-I211 HydrophobicContact CB-CG2 4.09Å; T138-I211 HydrophobicContact CG2-CD1 4.09Å; A139-I211 HydrophobicContact CB-CD1 4.17Å; M207-I211 HydrophobicContact CG-CD1 3.91Å; M207-I211 HydrophobicContact CG-CG1 4.49Å; M207-I211 WeakPolarHBondContact O-CG1 3.44Å; M207-I211 PolarHBondContact O-N 2.84Å; A208-I211 PolarHBondContact O-N 3.3Å; I211-A213 VanDerWaalsContact C-N 3.3Å; I211-A213 PolarHBondContact O-N 3.42Å; I211-E214 PolarHBondContact O-N 3.45Å; I211-L215 HydrophobicContact CG2-CD1 3.93Å; I211-L215 HydrophobicContact CG2-CG 4.23Å; I211-L215 VanDerWaalsContact O-CG 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.3Å; I211-L215 PolarHBondContact O-N 2.81Å
212	R	98.5	Very high	97.8	Very high	29 Å²	29	54.1 Å²	54.1	11%	0.109	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-41.3	179.2	-166.5	-170	173.8	-75.4	2.6	111.6	D128 L131 T132 A135 Y175 A208 D209 V210 L215 L216	D128-R212 IonicContact OD1-NH2 3.56Å; D128-R212 PolarHBondContact OD1-NH2 3.21Å; D128-R212 VanDerWaalsContact OD1-NH2 3.15Å; D128-R212 IonicContact OD2-CZ 3.73Å; D128-R212 IonicContact OD2-NH2 3.63Å; D128-R212 PolarHBondContact OD2-NH2 2.89Å; L131-R212 HydrophobicContact CB-CG 4.37Å; T132-R212 PolarHBondContact OG1-NE 3.28Å; A135-R212 HydrophobicContact CB-CB 3.63Å; A135-R212 HydrophobicContact CB-CG 4.29Å; Y175-R212 VanDerWaalsContact CZ-CD 3.48Å; Y175-R212 WeakPolarHBondContact OH-CD 3.46Å; A208-R212 VanDerWaalsContact O-CB 3.32Å; A208-R212 WeakPolarHBondContact O-CB 3.49Å; A208-R212 PolarHBondContact O-N 3.18Å; D209-R212 PolarHBondContact O-N 3.07Å; V210-R212 VanDerWaalsContact C-N 3.3Å; V210-R212 PolarHBondContact O-N 3.02Å; R212-L215 PolarHBondContact O-N 3.07Å; R212-L216 WeakPolarHBondContact O-CB 3.27Å; R212-L216 PolarHBondContact O-N 3.25Å
213	A	98.3	Very high	97.8	Very high	58 Å²	58	61.7 Å²	61.7	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-43.2	177.5	0	0	0	0	0	111.9	D209 V210 I211 L216 E217	D209-A213 PolarHBondContact O-N 3.22Å; V210-A213 WeakPolarHBondContact O-CB 3.42Å; V210-A213 PolarHBondContact O-N 3.06Å; V210-A213 VanDerWaalsContact O-N 3.15Å; I211-A213 VanDerWaalsContact C-N 3.3Å; I211-A213 PolarHBondContact O-N 3.42Å; A213-L216 PolarHBondContact O-N 3.18Å; A213-E217 PolarHBondContact O-N 2.98Å
214	E	98.4	Very high	97.7	Very high	99 Å²	99	59.7 Å²	59.7	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-45.5	175.7	-69.8	177.1	169.5	0	0	111.7	V210 I211 L216 E217 I218	V210-E214 WeakPolarHBondContact O-CG 3.46Å; V210-E214 PolarHBondContact O-N 3.25Å; I211-E214 PolarHBondContact O-N 3.45Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 2.95Å; E214-E217 WeakPolarHBondContact O-CB 3.39Å; E214-E217 PolarHBondContact O-N 3.07Å; E214-E217 VanDerWaalsContact O-N 3.17Å; E214-I218 WeakPolarHBondContact O-CG1 3.46Å; E214-I218 PolarHBondContact O-N 2.84Å
215	L	98.4	Very high	97.5	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-39.2	177.4	-64.1	174.1	0	0	0	111.9	F108 L110 I118 L131 A134 I211 R212 E217 I218 I219	F108-L215 HydrophobicContact CD1-CD2 3.9Å; L110-L215 HydrophobicContact CD1-CD1 3.96Å; L110-L215 HydrophobicContact CD1-CD2 3.55Å; L110-L215 HydrophobicContact CD1-CG 4.42Å; L110-L215 HydrophobicContact CD2-CD2 4.41Å; L110-L215 HydrophobicContact CG-CD2 3.95Å; I118-L215 HydrophobicContact CD1-CD1 4.45Å; L131-L215 HydrophobicContact CD2-CB 3.72Å; L131-L215 HydrophobicContact CD2-CD1 4.4Å; A134-L215 HydrophobicContact CB-CD1 3.91Å; I211-L215 HydrophobicContact CG2-CD1 3.93Å; I211-L215 HydrophobicContact CG2-CG 4.23Å; I211-L215 VanDerWaalsContact O-CG 3.28Å; I211-L215 WeakPolarHBondContact O-CG 3.3Å; I211-L215 PolarHBondContact O-N 2.81Å; R212-L215 PolarHBondContact O-N 3.07Å; L215-E217 VanDerWaalsContact C-N 3.34Å; L215-I218 PolarHBondContact O-N 3.03Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 2.86Å
216	L	97.7	Very high	97.3	Very high	27 Å²	27	67.9 Å²	67.9	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-37.9	174.7	179.4	60.2	0	0	0	112.1	L131 R212 A213 E214 I218 I219 K220 Y226	L131-L216 HydrophobicContact CD1-CB 4.17Å; L131-L216 HydrophobicContact CD1-CD1 4.08Å; R212-L216 WeakPolarHBondContact O-CB 3.27Å; R212-L216 PolarHBondContact O-N 3.25Å; A213-L216 PolarHBondContact O-N 3.18Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 2.95Å; L216-I218 VanDerWaalsContact C-N 3.33Å; L216-I219 PolarHBondContact O-N 3.22Å; L216-K220 HydrophobicContact CG-CD 4.37Å; L216-K220 WeakPolarHBondContact O-CG 3.39Å; L216-K220 PolarHBondContact O-N 3.33Å; L216-Y226 HydrophobicContact CD1-CD2 3.77Å; L216-Y226 HydrophobicContact CD1-CE2 3.36Å
217	E	98.1	Very high	97	Very high	133 Å²	133	65 Å²	65	62%	0.621	32%	0.322	S	S	*	.	H	α-helix	trans	-63	-41.7	174.5	-172.5	177.8	175.7	0	0	111.2	A213 E214 L215 K220 R221	A213-E217 PolarHBondContact O-N 2.98Å; E214-E217 WeakPolarHBondContact O-CB 3.39Å; E214-E217 PolarHBondContact O-N 3.07Å; E214-E217 VanDerWaalsContact O-N 3.17Å; L215-E217 VanDerWaalsContact C-N 3.34Å; E217-K220 PolarHBondContact O-N 2.65Å; E217-R221 VanDerWaalsContact O-CB 3.25Å; E217-R221 WeakPolarHBondContact O-CB 3.32Å; E217-R221 PolarHBondContact O-N 3.44Å
218	I	97.9	Very high	96.6	Very high	20 Å²	20	68.4 Å²	68.4	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-48.1	175.4	-66.1	166.9	0	0	0	111	E107 F108 E214 L215 L216 K220 R221 I222	E107-I218 HydrophobicContact CB-CG2 4.38Å; F108-I218 HydrophobicContact CD1-CB 4.33Å; F108-I218 HydrophobicContact CD1-CD1 4.3Å; F108-I218 HydrophobicContact CD1-CG2 3.78Å; F108-I218 HydrophobicContact CE1-CB 4.07Å; F108-I218 HydrophobicContact CE1-CG2 3.52Å; F108-I218 HydrophobicContact CG-CG2 4.43Å; F108-I218 HydrophobicContact CZ-CG2 3.96Å; E214-I218 WeakPolarHBondContact O-CG1 3.46Å; E214-I218 PolarHBondContact O-N 2.84Å; L215-I218 PolarHBondContact O-N 3.03Å; L216-I218 VanDerWaalsContact C-N 3.33Å; I218-K220 VanDerWaalsContact C-N 3.3Å; I218-K220 PolarHBondContact O-N 2.95Å; I218-R221 PolarHBondContact O-N 3.18Å; I218-I222 HydrophobicContact CG2-CD1 3.52Å; I218-I222 HydrophobicContact CG2-CG1 4.38Å; I218-I222 WeakPolarHBondContact O-CG1 3.07Å; I218-I222 PolarHBondContact O-N 3.41Å
219	I	96.9	Very high	96.3	Very high	1 Å²	1	72 Å²	72	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-54.2	-47.5	176.5	-70.7	-72.6	0	0	0	110.9	F108 I118 L131 L215 L216 E223 L224 Y226	F108-I219 HydrophobicContact CE1-CD1 4.09Å; F108-I219 HydrophobicContact CE1-CG1 4.25Å; F108-I219 HydrophobicContact CZ-CD1 3.76Å; F108-I219 HydrophobicContact CZ-CG1 4.37Å; I118-I219 HydrophobicContact CG2-CD1 3.75Å; L131-I219 HydrophobicContact CD1-CG1 4.43Å; L131-I219 HydrophobicContact CD2-CG1 4.31Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 2.86Å; L216-I219 PolarHBondContact O-N 3.22Å; I219-E223 PolarHBondContact O-N 3.14Å; I219-E223 VanDerWaalsContact O-N 3.15Å; I219-L224 HydrophobicContact CD1-CB 4.17Å; I219-L224 HydrophobicContact CD1-CD1 3.73Å; I219-L224 HydrophobicContact CG2-CB 4.13Å; I219-L224 PolarHBondContact O-N 3.15Å; I219-Y226 HydrophobicContact CG2-CD2 4.31Å
220	K	96.9	Very high	96	Very high	138 Å²	138	71.3 Å²	71.3	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-66.2	-41.5	178.9	-71.8	173.1	179.2	175.7	0	112.5	L216 E217 I218 I222 E223	L216-K220 HydrophobicContact CG-CD 4.37Å; L216-K220 WeakPolarHBondContact O-CG 3.39Å; L216-K220 PolarHBondContact O-N 3.33Å; E217-K220 PolarHBondContact O-N 2.65Å; I218-K220 VanDerWaalsContact C-N 3.3Å; I218-K220 PolarHBondContact O-N 2.95Å; K220-I222 VanDerWaalsContact C-N 3.34Å; K220-I222 PolarHBondContact O-N 3.45Å; K220-E223 PolarHBondContact O-N 3.17Å
221	R	97.3	Very high	95.9	Very high	151 Å²	151	69.8 Å²	69.8	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-65.5	-35.5	-178.8	-177.7	-176.5	66.4	155.3	9.9	112.5	E107 E217 I218 E223	E107-R221 IonicContact OE2-CZ 3.3Å; E107-R221 IonicContact OE2-NH2 3.6Å; E107-R221 PolarHBondContact OE2-NH2 3.21Å; E217-R221 VanDerWaalsContact O-CB 3.25Å; E217-R221 WeakPolarHBondContact O-CB 3.32Å; E217-R221 PolarHBondContact O-N 3.44Å; I218-R221 PolarHBondContact O-N 3.18Å; R221-E223 VanDerWaalsContact C-N 3.3Å
222	I	95.8	Very high	95.5	Very high	50 Å²	50	71.3 Å²	71.3	26%	0.256	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.1	177.9	-50.8	165.8	0	0	0	111.1	I104 E107 I218 K220 L224	I104-I222 HydrophobicContact CG2-CD1 4.48Å; I104-I222 HydrophobicContact CG2-CG2 4.35Å; E107-I222 HydrophobicContact CB-CD1 3.49Å; E107-I222 VanDerWaalsContact CB-CD1 3.49Å; E107-I222 HydrophobicContact CG-CD1 3.69Å; I218-I222 HydrophobicContact CG2-CD1 3.52Å; I218-I222 HydrophobicContact CG2-CG1 4.38Å; I218-I222 WeakPolarHBondContact O-CG1 3.07Å; I218-I222 PolarHBondContact O-N 3.41Å; K220-I222 VanDerWaalsContact C-N 3.34Å; K220-I222 PolarHBondContact O-N 3.45Å; I222-L224 VanDerWaalsContact C-N 3.28Å; I222-L224 HydrophobicContact CB-CG 4.45Å; I222-L224 HydrophobicContact CG2-CG 4.38Å; I222-L224 PolarHBondContact O-N 2.99Å
223	E	96.1	Very high	95.4	Very high	177 Å²	177	72.4 Å²	72.4	83%	0.827	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	34.9	177.4	-53.6	-175.4	154.9	0	0	113.8	I219 K220 R221	I219-E223 PolarHBondContact O-N 3.14Å; I219-E223 VanDerWaalsContact O-N 3.15Å; K220-E223 PolarHBondContact O-N 3.17Å; R221-E223 VanDerWaalsContact C-N 3.3Å
224	L	95.2	Very high	95.2	Very high	35 Å²	35	78.9 Å²	78.9	18%	0.183	40%	0.402	C	S	.	.			trans	-74.6	145.1	175.7	-70.9	171.7	0	0	0	111.2	I104 F108 L119 I219 I222 Y226	I104-L224 HydrophobicContact CG2-CD1 3.93Å; F108-L224 HydrophobicContact CZ-CD1 4.24Å; L119-L224 HydrophobicContact CD2-CD1 3.63Å; L119-L224 HydrophobicContact CD2-CD2 4.49Å; I219-L224 HydrophobicContact CD1-CB 4.17Å; I219-L224 HydrophobicContact CD1-CD1 3.73Å; I219-L224 HydrophobicContact CG2-CB 4.13Å; I219-L224 PolarHBondContact O-N 3.15Å; I222-L224 VanDerWaalsContact C-N 3.28Å; I222-L224 HydrophobicContact CB-CG 4.45Å; I222-L224 HydrophobicContact CG2-CG 4.38Å; I222-L224 PolarHBondContact O-N 2.99Å; L224-Y226 PolarHBondContact O-N 3.49Å
225	P	94.8	Very high	95.1	Very high	83 Å²	83	81 Å²	81	54%	0.539	41%	0.411	S	S	.	.			trans	-55.3	136.7	177.1	-24.6	33.7	0	0	0	112	C122	C122-P225 HydrophobicContact CB-CB 4.5Å
226	Y	93.9	Very high	95	Very high	90 Å²	90	81 Å²	81	35%	0.353	41%	0.412	S	S	.	.			trans	-124.3	115.1	178.2	-173.7	-92.9	0	0	0	110.2	V127 D128 L131 L216 I219 L224	V127-Y226 HydrophobicContact CB-CD2 4.22Å; V127-Y226 HydrophobicContact CB-CE2 4.49Å; V127-Y226 HydrophobicContact CG1-CD2 3.82Å; V127-Y226 HydrophobicContact CG1-CE2 4.1Å; D128-Y226 PolarHBondContact OD2-OH 2.99Å; L131-Y226 HydrophobicContact CD1-CE2 4.14Å; L216-Y226 HydrophobicContact CD1-CD2 3.77Å; L216-Y226 HydrophobicContact CD1-CE2 3.36Å; I219-Y226 HydrophobicContact CG2-CD2 4.31Å; L224-Y226 PolarHBondContact O-N 3.49Å
227	A	91.5	Very high	94.9	Very high	16 Å²	16	80.7 Å²	80.7	13%	0.132	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-85.8	145.7	173.9	0	0	0	0	0	111.1	D125	D125-A227 HydrophobicContact CB-CB 3.88Å
228	E	89.3	Confident	94.9	Very high	167 Å²	167	77.9 Å²	77.9	78%	0.78	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-67.9	153.4	173.2	-68.4	-169.2	167.2	0	0	111.6	A230	E228-A230 PolarHBondContact O-N 2.85Å
229	P	91.1	Very high	94.9	Very high	77 Å²	77	77.8 Å²	77.8	50%	0.5	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-61.4	129.6	-179.1	-11.9	21	0	0	0	112.2	D128	D128-P229 HydrophobicContact CB-CB 4.22Å; D128-P229 HydrophobicContact CB-CG 4.18Å
230	A	93.2	Very high	95	Very high	45 Å²	45	77.8 Å²	77.8	37%	0.372	40%	0.399	S	S	.	.			trans	-133.9	15.3	-177.6	0	0	0	0	0	113.8	E129 E228 G232 S233 N236	E129-A230 PolarHBondContact OE1-N 3.19Å; E228-A230 PolarHBondContact O-N 2.85Å; A230-G232 PolarHBondContact O-N 3.32Å; A230-S233 PolarHBondContact O-N 3.07Å; A230-S233 PolarHBondContact O-OG 3.03Å; A230-N236 HydrophobicContact CB-CB 4.16Å; A230-N236 WeakPolarHBondContact O-CB 3.36Å
231	F	95.8	Very high	95	Very high	44 Å²	44	72.3 Å²	72.3	19%	0.193	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	134.4	179.4	-169	-117.3	0	0	0	114	E129 H163 F169 I172 K176 N236 I240	E129-F231 HydrophobicContact CG-CB 3.93Å; E129-F231 HydrophobicContact CG-CD2 3.97Å; E129-F231 HydrophobicContact CG-CG 4.35Å; E129-F231 PolarHBondContact OE1-N 3.36Å; H163-F231 AromaticContact CD2-CZ 3.99Å; F169-F231 AromaticContact CD1-CE2 3.77Å; F169-F231 HydrophobicContact CD1-CE2 3.77Å; F169-F231 HydrophobicContact CD1-CZ 4.4Å; I172-F231 HydrophobicContact CB-CD2 4.5Å; I172-F231 HydrophobicContact CB-CE1 4.46Å; I172-F231 HydrophobicContact CB-CE2 3.94Å; I172-F231 HydrophobicContact CB-CZ 3.92Å; I172-F231 HydrophobicContact CD1-CD2 4.03Å; I172-F231 HydrophobicContact CD1-CE2 3.67Å; I172-F231 HydrophobicContact CD1-CZ 4.47Å; I172-F231 HydrophobicContact CG1-CE2 4.43Å; I172-F231 HydrophobicContact CG2-CD1 3.97Å; I172-F231 HydrophobicContact CG2-CD2 3.84Å; I172-F231 HydrophobicContact CG2-CE1 3.87Å; I172-F231 HydrophobicContact CG2-CE2 3.73Å; I172-F231 HydrophobicContact CG2-CG 3.95Å; I172-F231 HydrophobicContact CG2-CZ 3.74Å; K176-F231 HydrophobicContact CD-CD1 4.05Å; F231-N236 VanDerWaalsContact CA-OD1 3.27Å; F231-N236 WeakPolarHBondContact CA-OD1 3.47Å; F231-N236 PolarHBondContact N-OD1 3.48Å; F231-I240 HydrophobicContact CD2-CD1 4.16Å; F231-I240 HydrophobicContact CE2-CD1 4.49Å
232	G	91.1	Very high	95.1	Very high	56 Å²	56	67.3 Å²	67.3	58%	0.577	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-14.4	177.3	0	0	0	0	0	114.1	A230	A230-G232 PolarHBondContact O-N 3.32Å
233	S	94.8	Very high	95.2	Very high	52 Å²	52	64.9 Å²	64.9	36%	0.364	35%	0.345	S	S	.	.	S	Bend	trans	-76.3	151.8	169.1	72.4	0	0	0	0	111.6	A230 E235 N236 T237	A230-S233 PolarHBondContact O-N 3.07Å; A230-S233 PolarHBondContact O-OG 3.03Å; S233-E235 VanDerWaalsContact C-N 3.28Å; S233-E235 PolarHBondContact O-N 3.31Å; S233-N236 PolarHBondContact O-N 3.41Å; S233-N236 WeakPolarHBondContact OG-CB 3.4Å; S233-N236 PolarHBondContact OG-N 3Å; S233-N236 VanDerWaalsContact OG-N 3.09Å; S233-T237 WeakPolarHBondContact O-CB 3.22Å; S233-T237 PolarHBondContact O-N 2.94Å; S233-T237 PolarHBondContact O-OG1 3.43Å
234	K	94.8	Very high	95.3	Very high	194 Å²	194	56.6 Å²	56.6	84%	0.843	31%	0.307	S	S	*	.	H	α-helix	trans	-63.5	-36.4	177	-69.1	-173.8	178.3	-176.5	0	112.1	T237 L238	K234-T237 WeakPolarHBondContact O-CB 3.42Å; K234-L238 PolarHBondContact O-N 3.17Å; K234-L238 VanDerWaalsContact O-N 3.12Å
235	E	95.8	Very high	95.5	Very high	142 Å²	142	54.9 Å²	54.9	66%	0.664	30%	0.298	S	S	*	.	H	α-helix	trans	-67.3	-50.9	177.8	-178.2	171.6	-167.9	0	0	111.2	S233 T237 L238 N239	S233-E235 VanDerWaalsContact C-N 3.28Å; S233-E235 PolarHBondContact O-N 3.31Å; E235-T237 VanDerWaalsContact C-N 3.26Å; E235-T237 PolarHBondContact O-N 3Å; E235-L238 WeakPolarHBondContact O-CB 3.49Å; E235-L238 PolarHBondContact O-N 2.87Å; E235-L238 VanDerWaalsContact O-N 3.07Å; E235-N239 VanDerWaalsContact O-CG 3.27Å; E235-N239 PolarHBondContact O-N 3.43Å; E235-N239 PolarHBondContact O-OD1 2.91Å
236	N	96.4	Very high	95.6	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-37.7	175.5	179.8	-98.5	0	0	0	111.8	E129 A230 F231 S233 L238 N239 I240	E129-N236 PolarHBondContact OE2-ND2 3.34Å; A230-N236 HydrophobicContact CB-CB 4.16Å; A230-N236 WeakPolarHBondContact O-CB 3.36Å; F231-N236 VanDerWaalsContact CA-OD1 3.27Å; F231-N236 WeakPolarHBondContact CA-OD1 3.47Å; F231-N236 PolarHBondContact N-OD1 3.48Å; S233-N236 PolarHBondContact O-N 3.41Å; S233-N236 WeakPolarHBondContact OG-CB 3.4Å; S233-N236 PolarHBondContact OG-N 3Å; S233-N236 VanDerWaalsContact OG-N 3.09Å; N236-L238 VanDerWaalsContact C-N 3.34Å; N236-L238 PolarHBondContact O-N 3.36Å; N236-N239 PolarHBondContact O-N 3.38Å; N236-I240 VanDerWaalsContact O-CG1 3.31Å; N236-I240 WeakPolarHBondContact O-CG1 3.44Å; N236-I240 PolarHBondContact O-N 3.26Å; N236-I240 WeakPolarHBondContact OD1-CD1 3.44Å
237	T	97.4	Very high	95.8	Very high	19 Å²	19	47.4 Å²	47.4	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-56.7	-47.1	173.3	-60.5	0	0	0	0	112.3	E165 F169 S233 K234 E235 K241	E165-T237 HydrophobicContact CB-CG2 4.4Å; E165-T237 HydrophobicContact CG-CG2 3.61Å; F169-T237 HydrophobicContact CE1-CG2 3.83Å; F169-T237 HydrophobicContact CZ-CG2 3.96Å; S233-T237 WeakPolarHBondContact O-CB 3.22Å; S233-T237 PolarHBondContact O-N 2.94Å; S233-T237 PolarHBondContact O-OG1 3.43Å; K234-T237 WeakPolarHBondContact O-CB 3.42Å; E235-T237 VanDerWaalsContact C-N 3.26Å; E235-T237 PolarHBondContact O-N 3Å; T237-K241 WeakPolarHBondContact O-CG 3.46Å; T237-K241 PolarHBondContact O-N 3.17Å
238	L	97.3	Very high	96.1	Very high	74 Å²	74	46.9 Å²	46.9	39%	0.387	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-42.1	176.6	179.8	62.8	0	0	0	111.3	K234 E235 N236 K241 K242 L312	K234-L238 PolarHBondContact O-N 3.17Å; K234-L238 VanDerWaalsContact O-N 3.12Å; E235-L238 WeakPolarHBondContact O-CB 3.49Å; E235-L238 PolarHBondContact O-N 2.87Å; E235-L238 VanDerWaalsContact O-N 3.07Å; N236-L238 VanDerWaalsContact C-N 3.34Å; N236-L238 PolarHBondContact O-N 3.36Å; L238-K241 WeakPolarHBondContact O-CB 3.37Å; L238-K241 PolarHBondContact O-N 2.77Å; L238-K242 HydrophobicContact CG-CD 4.36Å; L238-K242 WeakPolarHBondContact O-CG 3.38Å; L238-K242 PolarHBondContact O-N 3.16Å; L238-L312 HydrophobicContact CD1-CD1 3.77Å; L238-L312 HydrophobicContact CD1-CD2 3.87Å; L238-L312 HydrophobicContact CD1-CG 4.47Å
239	N	97.9	Very high	96.5	Very high	19 Å²	19	39 Å²	39	10%	0.102	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-42.4	-179.5	-70.2	-4.1	0	0	0	112.3	F124 C126 E235 N236 K241 K242 A243	F124-N239 HydrophobicContact CB-CB 3.86Å; F124-N239 WeakPolarHBondContact O-CB 3.19Å; F124-N239 PolarHBondContact O-ND2 3.31Å; C126-N239 HydrophobicContact CB-CB 4.08Å; C126-N239 VanDerWaalsContact SG-C 3.55Å; E235-N239 VanDerWaalsContact O-CG 3.27Å; E235-N239 PolarHBondContact O-N 3.43Å; E235-N239 PolarHBondContact O-OD1 2.91Å; N236-N239 PolarHBondContact O-N 3.38Å; N239-K241 VanDerWaalsContact C-N 3.34Å; N239-K241 PolarHBondContact O-N 3.26Å; N239-K242 WeakPolarHBondContact O-CB 3.45Å; N239-K242 PolarHBondContact O-N 3.4Å; N239-A243 WeakPolarHBondContact O-CB 3.37Å; N239-A243 PolarHBondContact O-N 3.48Å
240	I	98.5	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-46.1	172.9	-67.3	164.2	0	0	0	110.3	C126 E129 I133 F169 I172 F231 N236 K242 A243 L244	C126-I240 HydrophobicContact CB-CG1 3.96Å; E129-I240 HydrophobicContact CB-CD1 3.64Å; E129-I240 HydrophobicContact CB-CG1 3.94Å; E129-I240 HydrophobicContact CG-CD1 3.87Å; I133-I240 HydrophobicContact CD1-CG2 3.78Å; F169-I240 HydrophobicContact CE1-CB 4.25Å; F169-I240 HydrophobicContact CE1-CD1 3.87Å; F169-I240 HydrophobicContact CE1-CG2 4.22Å; F169-I240 HydrophobicContact CE2-CG2 4.23Å; F169-I240 HydrophobicContact CZ-CB 3.97Å; F169-I240 HydrophobicContact CZ-CD1 4.43Å; F169-I240 HydrophobicContact CZ-CG2 3.77Å; I172-I240 HydrophobicContact CD1-CD1 4.17Å; F231-I240 HydrophobicContact CD2-CD1 4.16Å; F231-I240 HydrophobicContact CE2-CD1 4.49Å; N236-I240 VanDerWaalsContact O-CG1 3.31Å; N236-I240 WeakPolarHBondContact O-CG1 3.44Å; N236-I240 PolarHBondContact O-N 3.26Å; N236-I240 WeakPolarHBondContact OD1-CD1 3.44Å; I240-K242 VanDerWaalsContact C-N 3.31Å; I240-K242 PolarHBondContact O-N 2.93Å; I240-A243 PolarHBondContact O-N 2.88Å; I240-L244 HydrophobicContact CG2-CD1 3.9Å; I240-L244 HydrophobicContact CG2-CG 4.32Å; I240-L244 WeakPolarHBondContact O-CB 3.38Å; I240-L244 WeakPolarHBondContact O-CG 3.06Å; I240-L244 PolarHBondContact O-N 3.22Å
241	K	98.2	Very high	96.8	Very high	23 Å²	23	36.2 Å²	36.2	10%	0.1	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-41.2	177.1	-73.6	-178.1	175.7	-170.5	0	111.7	E165 F169 T237 L238 N239 L245 E307 L312	E165-K241 WeakPolarHBondContact OE2-CE 3.34Å; E165-K241 IonicContact OE2-NZ 3.62Å; E165-K241 PolarHBondContact OE2-NZ 3.49Å; F169-K241 HydrophobicContact CE2-CG 4.2Å; F169-K241 HydrophobicContact CZ-CG 4.08Å; T237-K241 WeakPolarHBondContact O-CG 3.46Å; T237-K241 PolarHBondContact O-N 3.17Å; L238-K241 WeakPolarHBondContact O-CB 3.37Å; L238-K241 PolarHBondContact O-N 2.77Å; N239-K241 VanDerWaalsContact C-N 3.34Å; N239-K241 PolarHBondContact O-N 3.26Å; K241-L245 VanDerWaalsContact O-CB 3.29Å; K241-L245 WeakPolarHBondContact O-CB 3.35Å; K241-L245 WeakPolarHBondContact O-CG 3.42Å; K241-L245 PolarHBondContact O-N 2.95Å; K241-E307 WeakPolarHBondContact CE-O 3.38Å; K241-E307 PolarHBondContact NZ-O 3.49Å; K241-L312 HydrophobicContact CB-CD2 3.73Å; K241-L312 HydrophobicContact CD-CD2 4.43Å
242	K	98.4	Very high	96.9	Very high	46 Å²	46	34.2 Å²	34.2	20%	0.2	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-45.2	176.1	-69.9	174.9	173	175.7	0	112.3	F124 L238 N239 I240 L245 S246 L312 L316	F124-K242 HydrophobicContact CD1-CB 4.25Å; F124-K242 HydrophobicContact CD1-CD 3.94Å; F124-K242 HydrophobicContact CD2-CB 3.69Å; F124-K242 HydrophobicContact CE1-CB 4.18Å; F124-K242 HydrophobicContact CE1-CD 3.9Å; F124-K242 HydrophobicContact CE2-CB 3.6Å; F124-K242 HydrophobicContact CG-CB 4.03Å; F124-K242 HydrophobicContact CG-CD 4.42Å; F124-K242 HydrophobicContact CZ-CB 3.87Å; F124-K242 HydrophobicContact CZ-CD 4.35Å; L238-K242 HydrophobicContact CG-CD 4.36Å; L238-K242 WeakPolarHBondContact O-CG 3.38Å; L238-K242 PolarHBondContact O-N 3.16Å; N239-K242 WeakPolarHBondContact O-CB 3.45Å; N239-K242 PolarHBondContact O-N 3.4Å; I240-K242 VanDerWaalsContact C-N 3.31Å; I240-K242 PolarHBondContact O-N 2.93Å; K242-L245 PolarHBondContact O-N 3.42Å; K242-S246 WeakPolarHBondContact O-CB 3.47Å; K242-S246 PolarHBondContact O-N 3.15Å; K242-S246 PolarHBondContact O-OG 3.22Å; K242-L312 HydrophobicContact CD-CD1 4.48Å; K242-L312 HydrophobicContact CG-CD1 3.69Å; K242-L316 VanDerWaalsContact CA-CD1 3.49Å; K242-L316 HydrophobicContact CB-CD1 3.84Å; K242-L316 HydrophobicContact CG-CD1 3.98Å; K242-L316 WeakPolarHBondContact O-CD1 3.49Å
243	A	98.3	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-47.9	177.7	0	0	0	0	0	111.5	S117 F124 V130 N239 I240 S246	S117-A243 WeakPolarHBondContact CA-O 3.48Å; S117-A243 WeakPolarHBondContact CB-O 3.4Å; F124-A243 HydrophobicContact CD2-CB 4.11Å; V130-A243 HydrophobicContact CG2-CB 3.88Å; N239-A243 WeakPolarHBondContact O-CB 3.37Å; N239-A243 PolarHBondContact O-N 3.48Å; I240-A243 PolarHBondContact O-N 2.88Å; A243-S246 WeakPolarHBondContact O-CB 3.29Å; A243-S246 PolarHBondContact O-N 3.13Å
244	L	98.4	Very high	97.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-47.4	176.2	-69.4	173.1	0	0	0	111.6	I133 H168 I240 S246 G247 Y248 L290	I133-L244 HydrophobicContact CD1-CD1 4.28Å; I133-L244 HydrophobicContact CD1-CD2 4.42Å; I133-L244 HydrophobicContact CG2-CD2 4.28Å; H168-L244 HydrophobicContact CB-CD1 4.01Å; I240-L244 HydrophobicContact CG2-CD1 3.9Å; I240-L244 HydrophobicContact CG2-CG 4.32Å; I240-L244 WeakPolarHBondContact O-CB 3.38Å; I240-L244 WeakPolarHBondContact O-CG 3.06Å; I240-L244 PolarHBondContact O-N 3.22Å; L244-S246 PolarHBondContact O-N 3Å; L244-G247 PolarHBondContact O-N 3.06Å; L244-Y248 WeakPolarHBondContact O-CB 3.44Å; L244-Y248 PolarHBondContact O-N 3.29Å; L244-L290 HydrophobicContact CB-CD1 4.03Å
245	L	98	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-35.3	178.6	-84.1	166.1	0	0	0	112.5	K241 K242 G247 Y248 F249 I252 L290 I308 L312 F313 L316	K241-L245 VanDerWaalsContact O-CB 3.29Å; K241-L245 WeakPolarHBondContact O-CB 3.35Å; K241-L245 WeakPolarHBondContact O-CG 3.42Å; K241-L245 PolarHBondContact O-N 2.95Å; K242-L245 PolarHBondContact O-N 3.42Å; L245-G247 PolarHBondContact O-N 3.02Å; L245-Y248 PolarHBondContact O-N 3.05Å; L245-F249 VanDerWaalsContact O-CB 3.27Å; L245-F249 WeakPolarHBondContact O-CB 3.46Å; L245-F249 WeakPolarHBondContact O-CD1 3.27Å; L245-F249 PolarHBondContact O-N 2.99Å; L245-I252 HydrophobicContact CD2-CD1 3.81Å; L245-L290 HydrophobicContact CD2-CD1 3.88Å; L245-L290 HydrophobicContact CG-CD1 3.96Å; L245-I308 HydrophobicContact CD1-CB 4.37Å; L245-I308 HydrophobicContact CD1-CG2 4.08Å; L245-I308 HydrophobicContact CD2-CG2 4.16Å; L245-I308 HydrophobicContact CG-CG2 4.15Å; L245-L312 HydrophobicContact CD1-CB 4.26Å; L245-L312 HydrophobicContact CD1-CD2 3.67Å; L245-L312 HydrophobicContact CD1-CG 3.62Å; L245-F313 HydrophobicContact CD2-CD2 3.94Å; L245-L316 HydrophobicContact CB-CD1 3.61Å; L245-L316 HydrophobicContact CD1-CD1 4.11Å
246	S	97.9	Very high	97	Very high	16 Å²	16	16.8 Å²	16.8	11%	0.112	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-26.7	179.7	-59.1	0	0	0	0	113.4	K116 A120 K242 A243 L244 F249	K116-S246 VanDerWaalsContact CG-O 3.31Å; K116-S246 WeakPolarHBondContact CG-O 3.43Å; A120-S246 VanDerWaalsContact CB-CB 3.41Å; K242-S246 WeakPolarHBondContact O-CB 3.47Å; K242-S246 PolarHBondContact O-N 3.15Å; K242-S246 PolarHBondContact O-OG 3.22Å; A243-S246 WeakPolarHBondContact O-CB 3.29Å; A243-S246 PolarHBondContact O-N 3.13Å; L244-S246 PolarHBondContact O-N 3Å; S246-F249 WeakPolarHBondContact O-CD1 3.43Å; S246-F249 WeakPolarHBondContact O-CE1 3.26Å
247	G	97.5	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-102.4	-28.5	173.7	0	0	0	0	0	114.8	Q113 S117 L244 L245	Q113-G247 WeakPolarHBondContact CB-O 3.48Å; Q113-G247 WeakPolarHBondContact CG-O 3.35Å; Q113-G247 VanDerWaalsContact O-CA 3.31Å; Q113-G247 WeakPolarHBondContact O-CA 3.3Å; S117-G247 WeakPolarHBondContact OG-CA 3.15Å; L244-G247 PolarHBondContact O-N 3.06Å; L245-G247 PolarHBondContact O-N 3.02Å
248	Y	97.8	Very high	96.1	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-113.1	18.1	-171.4	-73.2	-86	0	0	0	114.1	Q113 L114 S117 L244 L245 M250 Q251 H292	Q113-Y248 HydrophobicContact CB-CD1 4.14Å; Q113-Y248 HydrophobicContact CB-CD2 4.39Å; Q113-Y248 HydrophobicContact CB-CE1 3.82Å; Q113-Y248 HydrophobicContact CB-CE2 4.07Å; Q113-Y248 HydrophobicContact CB-CG 4.4Å; L114-Y248 HydrophobicContact CB-CE2 4.36Å; L114-Y248 WeakPolarHBondContact CB-OH 3.26Å; L114-Y248 HydrophobicContact CD1-CE2 4.03Å; S117-Y248 WeakPolarHBondContact OG-CD2 3.34Å; L244-Y248 WeakPolarHBondContact O-CB 3.44Å; L244-Y248 PolarHBondContact O-N 3.29Å; L245-Y248 PolarHBondContact O-N 3.05Å; Y248-M250 PolarHBondContact O-N 3.07Å; Y248-Q251 HydrophobicContact CD1-CB 4.34Å; Y248-Q251 HydrophobicContact CD1-CG 4.25Å; Y248-Q251 VanDerWaalsContact CE1-OE1 3.31Å; Y248-Q251 PolarHBondContact O-N 3.44Å; Y248-H292 AromaticContact CE1-ND1 3.64Å; Y248-H292 AromaticContact CE2-ND1 3.99Å; Y248-H292 AromaticContact CZ-CE1 3.44Å; Y248-H292 VanDerWaalsContact CZ-CE1 3.44Å; Y248-H292 AromaticContact CZ-ND1 3.37Å; Y248-H292 PolarHBondContact OH-CE1 3.5Å; Y248-H292 PolarHBondContact OH-ND1 3.34Å
249	F	96.9	Very high	95.7	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.013	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.3	174.2	60.6	-94.3	0	0	0	113.4	Y88 L89 L245 S246 Q251 I252 F313 V317 P318 Y321	Y88-F249 WeakPolarHBondContact O-CZ 3.4Å; L89-F249 HydrophobicContact CD2-CE1 3.93Å; L89-F249 HydrophobicContact CD2-CZ 4.23Å; L245-F249 VanDerWaalsContact O-CB 3.27Å; L245-F249 WeakPolarHBondContact O-CB 3.46Å; L245-F249 WeakPolarHBondContact O-CD1 3.27Å; L245-F249 PolarHBondContact O-N 2.99Å; S246-F249 WeakPolarHBondContact O-CD1 3.43Å; S246-F249 WeakPolarHBondContact O-CE1 3.26Å; F249-Q251 VanDerWaalsContact C-N 3.32Å; F249-I252 WeakPolarHBondContact O-CG1 3.38Å; F249-F313 HydrophobicContact CB-CE2 3.91Å; F249-F313 WeakPolarHBondContact O-CE2 3.41Å; F249-V317 HydrophobicContact CB-CG2 4.42Å; F249-V317 HydrophobicContact CD2-CG2 4.24Å; F249-P318 HydrophobicContact CE1-CG 4.19Å; F249-P318 HydrophobicContact CE2-CG 4.11Å; F249-P318 HydrophobicContact CZ-CG 3.86Å; F249-Y321 AromaticContact CD2-CD1 3.77Å; F249-Y321 HydrophobicContact CD2-CD1 3.77Å; F249-Y321 HydrophobicContact CD2-CD2 4.24Å; F249-Y321 AromaticContact CD2-CE1 3.95Å; F249-Y321 HydrophobicContact CD2-CE1 3.95Å; F249-Y321 HydrophobicContact CD2-CE2 4.44Å; F249-Y321 AromaticContact CD2-CG 3.91Å; F249-Y321 HydrophobicContact CD2-CG 3.91Å; F249-Y321 HydrophobicContact CE2-CD1 4.13Å; F249-Y321 AromaticContact CE2-CD2 3.94Å; F249-Y321 HydrophobicContact CE2-CD2 3.94Å; F249-Y321 HydrophobicContact CE2-CE2 4.44Å; F249-Y321 AromaticContact CE2-CG 3.76Å; F249-Y321 HydrophobicContact CE2-CG 3.76Å
250	M	96.1	Very high	95.4	Very high	21 Å²	21	23.3 Å²	23.3	10%	0.103	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.9	174.3	-59.7	-175.5	-83.9	0	0	113.9	D85 Y88 L89 Q113 Y248 T266 Y321	D85-M250 HydrophobicContact CB-CE 4.38Å; D85-M250 HydrophobicContact CB-SD 4.41Å; Y88-M250 HydrophobicContact CD2-SD 4.1Å; L89-M250 HydrophobicContact CD1-CE 4.12Å; L89-M250 HydrophobicContact CD2-CE 4.01Å; L89-M250 HydrophobicContact CG-CE 3.91Å; Q113-M250 HydrophobicContact CG-CE 4.11Å; Y248-M250 PolarHBondContact O-N 3.07Å; M250-T266 PolarHBondContact O-OG1 3.26Å; M250-T266 VanDerWaalsContact O-OG1 3.1Å; M250-Y321 WeakPolarHBondContact CA-OH 3.35Å; M250-Y321 HydrophobicContact CB-CE2 4.24Å; M250-Y321 HydrophobicContact CG-CD2 4.06Å; M250-Y321 HydrophobicContact CG-CE2 3.63Å
251	Q	96.6	Very high	95.1	Very high	42 Å²	42	26.3 Å²	26.3	20%	0.196	16%	0.16	C	C	.	.	S	Bend	trans	-112.5	55.1	-175.8	-63.5	-168.2	-17.6	0	0	111.3	Y248 F249 L290 F291 H292	Y248-Q251 HydrophobicContact CD1-CB 4.34Å; Y248-Q251 HydrophobicContact CD1-CG 4.25Å; Y248-Q251 VanDerWaalsContact CE1-OE1 3.31Å; Y248-Q251 PolarHBondContact O-N 3.44Å; F249-Q251 VanDerWaalsContact C-N 3.32Å; Q251-L290 WeakPolarHBondContact O-CA 3.16Å; Q251-F291 HydrophobicContact CB-CD1 4.33Å; Q251-F291 HydrophobicContact CB-CD2 4.14Å; Q251-F291 HydrophobicContact CB-CE1 4.07Å; Q251-F291 HydrophobicContact CB-CE2 3.87Å; Q251-F291 HydrophobicContact CB-CG 4.36Å; Q251-F291 HydrophobicContact CB-CZ 3.83Å; Q251-F291 VanDerWaalsContact CB-O 3.26Å; Q251-F291 WeakPolarHBondContact CB-O 3.31Å; Q251-F291 HydrophobicContact CG-CE2 4.1Å; Q251-F291 HydrophobicContact CG-CZ 4.27Å; Q251-F291 WeakPolarHBondContact O-CD1 3.15Å; Q251-F291 WeakPolarHBondContact O-CE1 3.4Å; Q251-F291 PolarHBondContact O-N 3.26Å; Q251-F291 PolarHBondContact OE1-O 3.1Å; Q251-H292 PolarHBondContact OE1-O 2.89Å
252	I	97.6	Very high	95	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.5	175.7	-56	-55.3	0	0	0	110.3	L245 F249 M264 L265 W288 V289 L290 I308 F313	L245-I252 HydrophobicContact CD2-CD1 3.81Å; F249-I252 WeakPolarHBondContact O-CG1 3.38Å; I252-M264 WeakPolarHBondContact O-CA 3.35Å; I252-L265 HydrophobicContact CB-CD1 3.92Å; I252-L265 HydrophobicContact CB-CG 4.16Å; I252-L265 HydrophobicContact CG2-CD1 3.8Å; I252-L265 HydrophobicContact CG2-CG 4.14Å; I252-L265 PolarHBondContact O-N 3.36Å; I252-W288 HydrophobicContact CG2-CE3 4.07Å; I252-W288 HydrophobicContact CG2-CZ3 4.47Å; I252-V289 WeakPolarHBondContact CA-O 3.48Å; I252-L290 HydrophobicContact CD1-CB 3.73Å; I252-L290 HydrophobicContact CD1-CD1 4.29Å; I252-L290 HydrophobicContact CD1-CG 4.11Å; I252-I308 HydrophobicContact CD1-CD1 4.18Å; I252-I308 HydrophobicContact CD1-CG1 4.32Å; I252-I308 HydrophobicContact CG2-CD1 4.09Å; I252-F313 HydrophobicContact CB-CE2 4.47Å; I252-F313 HydrophobicContact CD1-CD2 4.26Å; I252-F313 HydrophobicContact CD1-CE2 4.47Å; I252-F313 HydrophobicContact CG1-CD2 3.75Å; I252-F313 HydrophobicContact CG1-CE2 3.55Å
253	A	97.1	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.3	172.4	0	0	0	0	0	111.2	Y262 L263 M264 V289 F291 I302	A253-Y262 HydrophobicContact CB-CD1 4.32Å; A253-L263 VanDerWaalsContact CA-O 3.3Å; A253-L263 WeakPolarHBondContact CA-O 3.37Å; A253-M264 HydrophobicContact CB-CG 4.17Å; A253-V289 HydrophobicContact CB-CG2 4.16Å; A253-V289 PolarHBondContact N-O 3.26Å; A253-V289 PolarHBondContact O-N 2.96Å; A253-F291 HydrophobicContact CB-CD1 4.13Å; A253-F291 HydrophobicContact CB-CE1 4.05Å; A253-I302 HydrophobicContact CB-CD1 4.14Å
254	R	96.8	Very high	94.7	Very high	15 Å²	15	25.5 Å²	25.5	6%	0.057	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.7	-179.7	-173.5	-164.2	177.9	-141.8	-8.4	111	V256 Y262 L263 E287 W288 E329 S330 I333	R254-V256 PolarHBondContact O-N 2.9Å; R254-Y262 CarbonylContact O-C 3.57Å; R254-Y262 WeakPolarHBondContact O-CA 3.5Å; R254-L263 PolarHBondContact N-O 2.9Å; R254-L263 PolarHBondContact O-N 2.99Å; R254-E287 CarbonylContact C-O 3.47Å; R254-E287 WeakPolarHBondContact CA-O 3.47Å; R254-E287 HydrophobicContact CG-CG 4.03Å; R254-E287 IonicContact CZ-OE1 2.8Å; R254-E287 VanDerWaalsContact CZ-OE1 3.24Å; R254-E287 IonicContact NE-OE1 2.97Å; R254-E287 PolarHBondContact NE-OE1 2.96Å; R254-E287 IonicContact NH2-OE1 2.66Å; R254-E287 PolarHBondContact NH2-OE1 3.35Å; R254-W288 HydrophobicContact CB-CD2 4.17Å; R254-W288 HydrophobicContact CB-CE3 3.99Å; R254-W288 HydrophobicContact CB-CH2 4.41Å; R254-W288 HydrophobicContact CB-CZ3 4.11Å; R254-W288 HydrophobicContact CG-CD2 3.88Å; R254-W288 HydrophobicContact CG-CE3 4.18Å; R254-W288 HydrophobicContact CG-CG 4.42Å; R254-W288 HydrophobicContact CG-CH2 4.26Å; R254-W288 HydrophobicContact CG-CZ2 3.93Å; R254-W288 HydrophobicContact CG-CZ3 4.36Å; R254-E329 IonicContact CZ-OE1 3.04Å; R254-E329 IonicContact NH1-OE1 2.89Å; R254-E329 PolarHBondContact NH1-OE1 3.14Å; R254-E329 IonicContact NH2-OE1 2.76Å; R254-E329 PolarHBondContact NH2-OE1 3.39Å; R254-S330 VanDerWaalsContact CD-OG 3.24Å; R254-S330 WeakPolarHBondContact CD-OG 3.38Å; R254-I333 VanDerWaalsContact NH1-CD1 3.27Å
255	D	95.7	Very high	94.5	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	106.6	166.3	-172.2	3.6	0	0	0	109.2	G258 S259 G260 Y262 E287	D255-G258 PolarHBondContact OD1-N 3Å; D255-G258 VanDerWaalsContact OD1-N 3.14Å; D255-G258 VanDerWaalsContact OD2-CA 3.31Å; D255-G258 WeakPolarHBondContact OD2-CA 3.41Å; D255-S259 PolarHBondContact OD1-N 3.25Å; D255-G260 PolarHBondContact OD1-N 3.49Å; D255-G260 VanDerWaalsContact OD2-CA 3.28Å; D255-G260 WeakPolarHBondContact OD2-CA 3.38Å; D255-G260 PolarHBondContact OD2-N 3.46Å; D255-Y262 HydrophobicContact CB-CD1 4.05Å; D255-Y262 HydrophobicContact CB-CD2 4.41Å; D255-Y262 HydrophobicContact CB-CE1 3.83Å; D255-Y262 HydrophobicContact CB-CE2 4.15Å; D255-Y262 HydrophobicContact CB-CG 4.36Å; D255-E287 PolarHBondContact N-O 2.78Å
256	V	88.1	Confident	94	Very high	55 Å²	55	27.7 Å²	27.7	33%	0.333	17%	0.171	S	C	.	.	S	Bend	trans	-79.9	-35	-169.4	179.6	0	0	0	0	112.1	R254 L263	R254-V256 PolarHBondContact O-N 2.9Å; V256-L263 HydrophobicContact CG2-CB 4.23Å; V256-L263 HydrophobicContact CG2-CD2 4.41Å
257	D	87.6	Confident	93.3	Very high	116 Å²	116	32.8 Å²	32.8	62%	0.62	19%	0.193	S	C	*	.	S	Bend	trans	-115.2	3	-172.7	64.4	-6.4	0	0	0	113.2	S259	D257-S259 PolarHBondContact O-N 3.06Å; D257-S259 WeakPolarHBondContact OD1-CB 3.34Å; D257-S259 PolarHBondContact OD1-N 3.28Å; D257-S259 PolarHBondContact OD1-OG 3.42Å; D257-S259 PolarHBondContact OD2-OG 2.99Å; D257-S259 VanDerWaalsContact OD2-OG 3.07Å
258	G	88.4	Confident	92.8	Very high	63 Å²	63	37.4 Å²	37.4	65%	0.649	21%	0.213	S	C	*	.	S	Bend	trans	70.5	13.2	-177.4	0	0	0	0	0	113.2	D255 G260	D255-G258 PolarHBondContact OD1-N 3Å; D255-G258 VanDerWaalsContact OD1-N 3.14Å; D255-G258 VanDerWaalsContact OD2-CA 3.31Å; D255-G258 WeakPolarHBondContact OD2-CA 3.41Å; G258-G260 VanDerWaalsContact C-N 3.29Å
259	S	88.8	Confident	92.5	Very high	63 Å²	63	40.8 Å²	40.8	44%	0.441	23%	0.229	S	C	.	.	S	Bend	trans	-85	-3.8	179.8	72.1	0	0	0	0	113	D255 D257 N261	D255-S259 PolarHBondContact OD1-N 3.25Å; D257-S259 PolarHBondContact O-N 3.06Å; D257-S259 WeakPolarHBondContact OD1-CB 3.34Å; D257-S259 PolarHBondContact OD1-N 3.28Å; D257-S259 PolarHBondContact OD1-OG 3.42Å; D257-S259 PolarHBondContact OD2-OG 2.99Å; D257-S259 VanDerWaalsContact OD2-OG 3.07Å; S259-N261 PolarHBondContact OG-ND2 3.13Å
260	G	90	Very high	92.3	Very high	12 Å²	12	44.1 Å²	44.1	12%	0.124	25%	0.25	C	C	.	.	S	Bend	trans	81.8	17	-173.6	0	0	0	0	0	113.4	D255 G258 Y262	D255-G260 PolarHBondContact OD1-N 3.49Å; D255-G260 VanDerWaalsContact OD2-CA 3.28Å; D255-G260 WeakPolarHBondContact OD2-CA 3.38Å; D255-G260 PolarHBondContact OD2-N 3.46Å; G258-G260 VanDerWaalsContact C-N 3.29Å; G260-Y262 WeakPolarHBondContact O-CD2 3.23Å
261	N	93.4	Very high	92.3	Very high	62 Å²	62	43.2 Å²	43.2	33%	0.332	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	100.9	174.9	-68.2	-49.4	0	0	0	109.3	S259 V270 Q272	S259-N261 PolarHBondContact OG-ND2 3.13Å; N261-V270 HydrophobicContact CB-CG1 4.05Å; N261-Q272 PolarHBondContact OD1-NE2 3.31Å; N261-Q272 VanDerWaalsContact OD1-NE2 3.13Å
262	Y	96.2	Very high	92.2	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.4	-175	-71.2	-101.2	0	0	0	110.9	A253 R254 D255 G260 V270 A271 L273 P286 V289 I302	A253-Y262 HydrophobicContact CB-CD1 4.32Å; R254-Y262 CarbonylContact O-C 3.57Å; R254-Y262 WeakPolarHBondContact O-CA 3.5Å; D255-Y262 HydrophobicContact CB-CD1 4.05Å; D255-Y262 HydrophobicContact CB-CD2 4.41Å; D255-Y262 HydrophobicContact CB-CE1 3.83Å; D255-Y262 HydrophobicContact CB-CE2 4.15Å; D255-Y262 HydrophobicContact CB-CG 4.36Å; G260-Y262 WeakPolarHBondContact O-CD2 3.23Å; Y262-V270 WeakPolarHBondContact O-CA 3.36Å; Y262-A271 WeakPolarHBondContact CA-O 3.38Å; Y262-A271 WeakPolarHBondContact CB-O 3.42Å; Y262-A271 PolarHBondContact N-O 2.99Å; Y262-A271 PolarHBondContact O-N 3.01Å; Y262-L273 HydrophobicContact CD2-CD2 4Å; Y262-L273 HydrophobicContact CD2-CG 4.09Å; Y262-L273 HydrophobicContact CE1-CD2 4.37Å; Y262-L273 HydrophobicContact CE2-CD1 4.1Å; Y262-L273 HydrophobicContact CE2-CD2 3.74Å; Y262-L273 HydrophobicContact CE2-CG 3.52Å; Y262-L273 HydrophobicContact CG-CD2 4.45Å; Y262-P286 WeakPolarHBondContact CE1-O 3.46Å; Y262-P286 PolarHBondContact OH-O 2.94Å; Y262-V289 HydrophobicContact CD1-CG2 3.53Å; Y262-V289 HydrophobicContact CE1-CB 4.36Å; Y262-V289 HydrophobicContact CE1-CG1 3.84Å; Y262-V289 HydrophobicContact CE1-CG2 3.59Å; Y262-V289 HydrophobicContact CG-CG2 4.46Å; Y262-I302 HydrophobicContact CD1-CD1 4.45Å; Y262-I302 HydrophobicContact CG-CD1 4.14Å
263	L	95.6	Very high	92.1	Very high	43 Å²	43	45.2 Å²	45.2	23%	0.225	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.5	173.5	-176.1	68.5	0	0	0	109.8	A253 R254 V256 K268 V270	A253-L263 VanDerWaalsContact CA-O 3.3Å; A253-L263 WeakPolarHBondContact CA-O 3.37Å; R254-L263 PolarHBondContact N-O 2.9Å; R254-L263 PolarHBondContact O-N 2.99Å; V256-L263 HydrophobicContact CG2-CB 4.23Å; V256-L263 HydrophobicContact CG2-CD2 4.41Å; L263-K268 HydrophobicContact CD1-CB 4.32Å; L263-K268 WeakPolarHBondContact CD1-O 3.25Å; L263-V270 HydrophobicContact CD1-CG2 3.78Å
264	M	95.3	Very high	91.9	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.044	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140	175.2	-60.7	176.9	-147	0	0	111.6	I252 A253 K268 Q269 A271 F291 F294 I302	I252-M264 WeakPolarHBondContact O-CA 3.35Å; A253-M264 HydrophobicContact CB-CG 4.17Å; M264-K268 VanDerWaalsContact O-CA 3.31Å; M264-K268 WeakPolarHBondContact O-CA 3.42Å; M264-K268 PolarHBondContact O-N 2.91Å; M264-K268 VanDerWaalsContact O-N 3.15Å; M264-Q269 HydrophobicContact CE-CB 4.03Å; M264-Q269 PolarHBondContact N-O 3.26Å; M264-Q269 HydrophobicContact SD-CB 4.14Å; M264-A271 HydrophobicContact CE-CB 3.88Å; M264-F291 HydrophobicContact CE-CZ 4.5Å; M264-F291 HydrophobicContact CG-CE1 3.93Å; M264-F291 HydrophobicContact CG-CZ 3.98Å; M264-F291 HydrophobicContact SD-CE1 4.27Å; M264-F291 HydrophobicContact SD-CZ 3.7Å; M264-F294 HydrophobicContact CE-CB 4.35Å; M264-F294 HydrophobicContact CE-CD1 4.13Å; M264-F294 HydrophobicContact CE-CD2 3.16Å; M264-F294 HydrophobicContact CE-CE1 4.21Å; M264-F294 HydrophobicContact CE-CE2 3.28Å; M264-F294 HydrophobicContact CE-CG 3.62Å; M264-F294 HydrophobicContact CE-CZ 3.81Å; M264-I302 HydrophobicContact CE-CG2 3.96Å
265	L	94	Very high	91.6	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-46.4	-175.2	-58.3	-169.7	0	0	0	113.3	I252 W288 F313 L325 P326 L334	I252-L265 HydrophobicContact CB-CD1 3.92Å; I252-L265 HydrophobicContact CB-CG 4.16Å; I252-L265 HydrophobicContact CG2-CD1 3.8Å; I252-L265 HydrophobicContact CG2-CG 4.14Å; I252-L265 PolarHBondContact O-N 3.36Å; L265-W288 HydrophobicContact CD1-CZ3 4.18Å; L265-W288 HydrophobicContact CD2-CZ3 4.16Å; L265-F313 HydrophobicContact CD1-CZ 4.39Å; L265-L325 HydrophobicContact CB-CD2 4.08Å; L265-P326 WeakPolarHBondContact O-CD 2.86Å; L265-P326 WeakPolarHBondContact O-CG 3.43Å; L265-L334 HydrophobicContact CD1-CD1 3.97Å
266	T	87.6	Confident	91.3	Very high	41 Å²	41	51.8 Å²	51.8	25%	0.252	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-51.8	-172.9	-44.3	0	0	0	0	112.5	M250 Y321	M250-T266 PolarHBondContact O-OG1 3.26Å; M250-T266 VanDerWaalsContact O-OG1 3.1Å; T266-Y321 PolarHBondContact OG1-OH 2.87Å
267	H	83.5	Confident	91.6	Very high	123 Å²	123	49.3 Å²	49.3	57%	0.569	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-0.6	-170.3	-55.4	-58.1	0	0	0	114.5	Q269	H267-Q269 HydrophobicContact CB-CG 4.15Å; H267-Q269 PolarHBondContact O-N 3.44Å
268	K	85.6	Confident	91.8	Very high	97 Å²	97	44 Å²	44	42%	0.422	25%	0.251	S	S	.	.			trans	52.7	27.7	-177	-62.8	-178.5	166	177.6	0	114.1	L263 M264 P326 P327	L263-K268 HydrophobicContact CD1-CB 4.32Å; L263-K268 WeakPolarHBondContact CD1-O 3.25Å; M264-K268 VanDerWaalsContact O-CA 3.31Å; M264-K268 WeakPolarHBondContact O-CA 3.42Å; M264-K268 PolarHBondContact O-N 2.91Å; M264-K268 VanDerWaalsContact O-N 3.15Å; K268-P326 HydrophobicContact CD-CB 4.41Å; K268-P326 HydrophobicContact CD-CG 4.29Å; K268-P326 HydrophobicContact CG-CG 4.16Å; K268-P327 WeakPolarHBondContact CE-O 3.17Å; K268-P327 PolarHBondContact NZ-O 3.06Å
269	Q	91.1	Very high	92.1	Very high	75 Å²	75	41.4 Å²	41.4	35%	0.35	22%	0.222	S	C	.	.			trans	-82.1	142.3	173.8	-69.6	-177.3	-13.5	0	0	109.8	M264 H267	M264-Q269 HydrophobicContact CE-CB 4.03Å; M264-Q269 PolarHBondContact N-O 3.26Å; M264-Q269 HydrophobicContact SD-CB 4.14Å; H267-Q269 HydrophobicContact CB-CG 4.15Å; H267-Q269 PolarHBondContact O-N 3.44Å
270	V	93.6	Very high	92.3	Very high	73 Å²	73	39 Å²	39	44%	0.442	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.7	176.1	-178.3	0	0	0	0	109.3	N261 Y262 L263 N300	N261-V270 HydrophobicContact CB-CG1 4.05Å; Y262-V270 WeakPolarHBondContact O-CA 3.36Å; L263-V270 HydrophobicContact CD1-CG2 3.78Å; V270-N300 VanDerWaalsContact O-CB 3.3Å; V270-N300 WeakPolarHBondContact O-CB 3.28Å; V270-N300 PolarHBondContact O-ND2 3.06Å
271	A	95.2	Very high	92.4	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.6	177.6	0	0	0	0	0	110.7	Y262 M264 F294 N300 I302	Y262-A271 WeakPolarHBondContact CA-O 3.38Å; Y262-A271 WeakPolarHBondContact CB-O 3.42Å; Y262-A271 PolarHBondContact N-O 2.99Å; Y262-A271 PolarHBondContact O-N 3.01Å; M264-A271 HydrophobicContact CE-CB 3.88Å; A271-F294 HydrophobicContact CB-CD2 4.26Å; A271-F294 HydrophobicContact CB-CE2 3.84Å; A271-N300 CarbonylContact C-O 3.49Å; A271-N300 WeakPolarHBondContact CA-O 3.38Å; A271-N300 HydrophobicContact CB-CB 4.03Å; A271-I302 HydrophobicContact CB-CG2 3.93Å
272	Q	95.4	Very high	92.2	Very high	76 Å²	76	40 Å²	40	36%	0.355	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	159	172	-65.4	-177.4	-24.6	0	0	110.2	N261 H274 N300 Y301 I302	N261-Q272 PolarHBondContact OD1-NE2 3.31Å; N261-Q272 VanDerWaalsContact OD1-NE2 3.13Å; Q272-H274 PolarHBondContact O-N 3.35Å; Q272-N300 PolarHBondContact N-O 3.45Å; Q272-Y301 HydrophobicContact CB-CD1 4.09Å; Q272-Y301 HydrophobicContact CB-CE1 4.16Å; Q272-Y301 CarbonylContact O-C 3.56Å; Q272-Y301 VanDerWaalsContact O-CA 3.26Å; Q272-Y301 WeakPolarHBondContact O-CA 3.44Å; Q272-I302 PolarHBondContact O-N 3.46Å
273	L	95.6	Very high	92	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	138.4	166.9	-60	-167.8	0	0	0	109.3	Y262 Y279 S280 M285 I302 T305	Y262-L273 HydrophobicContact CD2-CD2 4Å; Y262-L273 HydrophobicContact CD2-CG 4.09Å; Y262-L273 HydrophobicContact CE1-CD2 4.37Å; Y262-L273 HydrophobicContact CE2-CD1 4.1Å; Y262-L273 HydrophobicContact CE2-CD2 3.74Å; Y262-L273 HydrophobicContact CE2-CG 3.52Å; Y262-L273 HydrophobicContact CG-CD2 4.45Å; L273-Y279 HydrophobicContact CD1-CD2 4.13Å; L273-Y279 HydrophobicContact CD1-CG 4.26Å; L273-S280 WeakPolarHBondContact CB-OG 3.42Å; L273-M285 HydrophobicContact CD1-CE 4.47Å; L273-M285 HydrophobicContact CD1-SD 3.5Å; L273-M285 VanDerWaalsContact CD1-SD 3.5Å; L273-M285 HydrophobicContact CG-SD 4.32Å; L273-I302 HydrophobicContact CD2-CD1 3.61Å; L273-I302 HydrophobicContact CD2-CG1 3.76Å; L273-T305 HydrophobicContact CD2-CG2 3.91Å
274	H	93.1	Very high	91.8	Very high	30 Å²	30	53.2 Å²	53.2	14%	0.139	27%	0.266	C	S	.	.			trans	-56.6	141.7	173.4	-171.7	-102.4	0	0	0	110.8	Q272 L276 S277 S280 I302 R303	Q272-H274 PolarHBondContact O-N 3.35Å; H274-L276 WeakPolarHBondContact ND1-CB 3.31Å; H274-L276 PolarHBondContact ND1-N 2.72Å; H274-L276 PolarHBondContact O-N 3.1Å; H274-S277 VanDerWaalsContact O-CB 3.27Å; H274-S277 WeakPolarHBondContact O-CB 3.32Å; H274-S277 PolarHBondContact O-N 2.83Å; H274-S280 WeakPolarHBondContact O-CB 3.32Å; H274-S280 PolarHBondContact O-OG 2.68Å; H274-I302 WeakPolarHBondContact CB-O 3.39Å; H274-I302 PolarHBondContact N-O 2.83Å; H274-R303 HydrophobicContact CB-CG 3.85Å; H274-R303 PolarHBondContact CD2-NH1 3.35Å; H274-R303 PolarHBondContact CD2-NH2 3.47Å; H274-R303 PolarHBondContact CE1-NH1 3.17Å; H274-R303 PolarHBondContact NE2-NH1 3.17Å; H274-R303 PolarHBondContact NE2-NH2 3.21Å
275	P	90.4	Very high	91.7	Very high	71 Å²	71	56.2 Å²	56.2	46%	0.461	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.6	-177.5	-29.3	36.8	0	0	0	114.7	S277 S280 Y301	P275-S277 VanDerWaalsContact C-N 3.35Å; P275-S280 WeakPolarHBondContact O-CB 3.45Å; P275-Y301 HydrophobicContact CG-CE1 4.32Å
276	L	89.3	Confident	91.8	Very high	60 Å²	60	56.5 Å²	56.5	31%	0.314	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.6	177.2	-58.3	-176.8	0	0	0	114.5	W158 H274	W158-L276 HydrophobicContact CE3-CD2 4.21Å; W158-L276 HydrophobicContact CH2-CD1 4.39Å; W158-L276 HydrophobicContact CH2-CD2 4.18Å; W158-L276 HydrophobicContact CZ3-CD1 4.37Å; W158-L276 HydrophobicContact CZ3-CD2 3.44Å; W158-L276 VanDerWaalsContact CZ3-CD2 3.44Å; W158-L276 HydrophobicContact CZ3-CG 4.47Å; H274-L276 WeakPolarHBondContact ND1-CB 3.31Å; H274-L276 PolarHBondContact ND1-N 2.72Å; H274-L276 PolarHBondContact O-N 3.1Å
277	S	93.6	Very high	92.2	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.021	29%	0.291	C	S	.	.	S	Bend	trans	-64.1	144.1	172.5	178.1	0	0	0	0	110.3	D167 H274 P275 Y279 S280 I281 T305	D167-S277 WeakPolarHBondContact OD1-CA 3.32Å; D167-S277 PolarHBondContact OD1-OG 3.43Å; D167-S277 WeakPolarHBondContact OD2-CB 3.44Å; D167-S277 PolarHBondContact OD2-OG 3.11Å; H274-S277 VanDerWaalsContact O-CB 3.27Å; H274-S277 WeakPolarHBondContact O-CB 3.32Å; H274-S277 PolarHBondContact O-N 2.83Å; P275-S277 VanDerWaalsContact C-N 3.35Å; S277-Y279 PolarHBondContact O-N 2.87Å; S277-Y279 PolarHBondContact OG-N 3.4Å; S277-S280 WeakPolarHBondContact O-CB 3.48Å; S277-S280 PolarHBondContact O-N 2.6Å; S277-S280 VanDerWaalsContact O-N 3.07Å; S277-I281 WeakPolarHBondContact O-CG1 3.46Å; S277-I281 PolarHBondContact O-N 2.91Å; S277-T305 PolarHBondContact OG-OG1 3.41Å
278	G	92.6	Very high	92.8	Very high	4 Å²	4	53.4 Å²	53.4	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-34.9	175.9	0	0	0	0	0	112.9	D167 I281 T282	D167-G278 PolarHBondContact OD1-N 3.38Å; G278-I281 PolarHBondContact O-N 3.04Å; G278-T282 WeakPolarHBondContact O-CB 3.41Å; G278-T282 WeakPolarHBondContact O-CG2 3.29Å; G278-T282 PolarHBondContact O-N 3.49Å; G278-T282 PolarHBondContact O-OG1 3.23Å
279	Y	94.7	Very high	93.4	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-42.7	176.1	-61.7	-51.7	0	0	0	112.4	P164 E165 G166 L273 S277 I281 T282 K283 K284 P286 E307	P164-Y279 WeakPolarHBondContact O-CE1 3.43Å; E165-Y279 PolarHBondContact O-OH 2.88Å; E165-Y279 VanDerWaalsContact O-OH 3.13Å; G166-Y279 WeakPolarHBondContact CA-OH 3.5Å; G166-Y279 PolarHBondContact N-OH 3.28Å; L273-Y279 HydrophobicContact CD1-CD2 4.13Å; L273-Y279 HydrophobicContact CD1-CG 4.26Å; S277-Y279 PolarHBondContact O-N 2.87Å; S277-Y279 PolarHBondContact OG-N 3.4Å; Y279-I281 VanDerWaalsContact C-N 3.34Å; Y279-I281 PolarHBondContact O-N 3Å; Y279-T282 PolarHBondContact O-N 2.66Å; Y279-K283 WeakPolarHBondContact O-CA 3.38Å; Y279-K283 PolarHBondContact O-N 3.19Å; Y279-K284 VanDerWaalsContact CB-O 3.29Å; Y279-K284 WeakPolarHBondContact CB-O 3.27Å; Y279-K284 WeakPolarHBondContact CD1-O 3.43Å; Y279-K284 PolarHBondContact O-N 2.87Å; Y279-P286 HydrophobicContact CD1-CG 4.15Å; Y279-P286 HydrophobicContact CD2-CG 4.07Å; Y279-P286 HydrophobicContact CE1-CG 4.02Å; Y279-P286 HydrophobicContact CE2-CG 3.94Å; Y279-P286 HydrophobicContact CG-CG 4.17Å; Y279-E307 VanDerWaalsContact OH-CB 3.29Å; Y279-E307 WeakPolarHBondContact OH-CB 3.46Å; Y279-E307 PolarHBondContact OH-N 3.47Å
280	S	92.4	Very high	93.8	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-38.4	175.4	-65.1	0	0	0	0	113	L273 H274 P275 S277 K283	L273-S280 WeakPolarHBondContact CB-OG 3.42Å; H274-S280 WeakPolarHBondContact O-CB 3.32Å; H274-S280 PolarHBondContact O-OG 2.68Å; P275-S280 WeakPolarHBondContact O-CB 3.45Å; S277-S280 WeakPolarHBondContact O-CB 3.48Å; S277-S280 PolarHBondContact O-N 2.6Å; S277-S280 VanDerWaalsContact O-N 3.07Å; S280-K283 WeakPolarHBondContact O-CD 3.24Å; S280-K283 WeakPolarHBondContact O-CE 3.47Å; S280-K283 PolarHBondContact O-NZ 3.23Å; S280-K283 VanDerWaalsContact O-NZ 3.11Å
281	I	91.5	Very high	93.9	Very high	29 Å²	29	42.2 Å²	42.2	15%	0.149	21%	0.21	C	C	.	.	H	α-helix	trans	-72.7	-41.4	179.4	-65.4	168.4	0	0	0	111	L155 K159 L162 S277 G278 Y279	L155-I281 HydrophobicContact CD2-CD1 3.96Å; L155-I281 HydrophobicContact CD2-CG1 4.02Å; K159-I281 HydrophobicContact CG-CG2 4.03Å; L162-I281 HydrophobicContact CD1-CB 4.2Å; L162-I281 HydrophobicContact CD1-CD1 4.45Å; L162-I281 HydrophobicContact CD1-CG2 3.92Å; S277-I281 WeakPolarHBondContact O-CG1 3.46Å; S277-I281 PolarHBondContact O-N 2.91Å; G278-I281 PolarHBondContact O-N 3.04Å; Y279-I281 VanDerWaalsContact C-N 3.34Å; Y279-I281 PolarHBondContact O-N 3Å
282	T	90.9	Very high	94	Very high	67 Å²	67	42.9 Å²	42.9	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-88	-8.6	-177.8	59.1	0	0	0	0	114	L162 G278 Y279 K284	L162-T282 HydrophobicContact CD1-CG2 3.99Å; G278-T282 WeakPolarHBondContact O-CB 3.41Å; G278-T282 WeakPolarHBondContact O-CG2 3.29Å; G278-T282 PolarHBondContact O-N 3.49Å; G278-T282 PolarHBondContact O-OG1 3.23Å; Y279-T282 PolarHBondContact O-N 2.66Å; T282-K284 PolarHBondContact O-N 2.86Å
283	K	90.6	Very high	93.9	Very high	165 Å²	165	43.7 Å²	43.7	72%	0.717	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	32.2	-175.5	-55.3	-61	-179.2	-161	0	113.2	Y279 S280	Y279-K283 WeakPolarHBondContact O-CA 3.38Å; Y279-K283 PolarHBondContact O-N 3.19Å; S280-K283 WeakPolarHBondContact O-CD 3.24Å; S280-K283 WeakPolarHBondContact O-CE 3.47Å; S280-K283 PolarHBondContact O-NZ 3.23Å; S280-K283 VanDerWaalsContact O-NZ 3.11Å
284	K	91.6	Very high	93.7	Very high	155 Å²	155	46 Å²	46	67%	0.674	22%	0.224	S	C	*	.			trans	-112.3	96.1	173.6	-66.2	-177.3	179.5	-177.3	0	107.7	Y279 T282 P286	Y279-K284 VanDerWaalsContact CB-O 3.29Å; Y279-K284 WeakPolarHBondContact CB-O 3.27Å; Y279-K284 WeakPolarHBondContact CD1-O 3.43Å; Y279-K284 PolarHBondContact O-N 2.87Å; T282-K284 PolarHBondContact O-N 2.86Å; K284-P286 VanDerWaalsContact O-CD 3.26Å; K284-P286 WeakPolarHBondContact O-CD 3.45Å
285	M	92.9	Very high	93.5	Very high	73 Å²	73	46 Å²	46	36%	0.36	23%	0.228	S	C	.	.			trans	-93.6	108.6	-177	-62	-55.7	-174.7	0	0	109.4	L273	L273-M285 HydrophobicContact CD1-CE 4.47Å; L273-M285 HydrophobicContact CD1-SD 3.5Å; L273-M285 VanDerWaalsContact CD1-SD 3.5Å; L273-M285 HydrophobicContact CG-SD 4.32Å
286	P	95.9	Very high	93.3	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.071	24%	0.238	C	C	.	.			trans	-69.6	143.1	172.9	28.7	-35	0	0	0	110.8	Y262 Y279 K284 W288 V289 E307	Y262-P286 WeakPolarHBondContact CE1-O 3.46Å; Y262-P286 PolarHBondContact OH-O 2.94Å; Y279-P286 HydrophobicContact CD1-CG 4.15Å; Y279-P286 HydrophobicContact CD2-CG 4.07Å; Y279-P286 HydrophobicContact CE1-CG 4.02Å; Y279-P286 HydrophobicContact CE2-CG 3.94Å; Y279-P286 HydrophobicContact CG-CG 4.17Å; K284-P286 VanDerWaalsContact O-CD 3.26Å; K284-P286 WeakPolarHBondContact O-CD 3.45Å; P286-W288 VanDerWaalsContact C-N 3.32Å; P286-W288 PolarHBondContact O-N 3.39Å; P286-V289 HydrophobicContact CB-CG1 4.3Å; P286-V289 HydrophobicContact CG-CG1 3.46Å; P286-V289 VanDerWaalsContact CG-CG1 3.46Å; P286-E307 HydrophobicContact CB-CB 3.76Å; P286-E307 HydrophobicContact CB-CG 3.63Å; P286-E307 HydrophobicContact CG-CB 4.06Å; P286-E307 HydrophobicContact CG-CG 4.47Å
287	E	96.1	Very high	92.9	Very high	90 Å²	90	49.2 Å²	49.2	42%	0.421	25%	0.245	S	C	.	.	S	Bend	trans	-64.5	-38.6	-179.2	-173.9	-173.9	158.5	0	0	111.9	R254 D255	R254-E287 CarbonylContact C-O 3.47Å; R254-E287 WeakPolarHBondContact CA-O 3.47Å; R254-E287 HydrophobicContact CG-CG 4.03Å; R254-E287 IonicContact CZ-OE1 2.8Å; R254-E287 VanDerWaalsContact CZ-OE1 3.24Å; R254-E287 IonicContact NE-OE1 2.97Å; R254-E287 PolarHBondContact NE-OE1 2.96Å; R254-E287 IonicContact NH2-OE1 2.66Å; R254-E287 PolarHBondContact NH2-OE1 3.35Å; D255-E287 PolarHBondContact N-O 2.78Å
288	W	97.5	Very high	92.3	Very high	10 Å²	10	58.5 Å²	58.5	4%	0.038	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.4	-176	-66	85.2	0	0	0	110.7	I252 R254 L265 P286 E307 I308 P310 I333 L334	I252-W288 HydrophobicContact CG2-CE3 4.07Å; I252-W288 HydrophobicContact CG2-CZ3 4.47Å; R254-W288 HydrophobicContact CB-CD2 4.17Å; R254-W288 HydrophobicContact CB-CE3 3.99Å; R254-W288 HydrophobicContact CB-CH2 4.41Å; R254-W288 HydrophobicContact CB-CZ3 4.11Å; R254-W288 HydrophobicContact CG-CD2 3.88Å; R254-W288 HydrophobicContact CG-CE3 4.18Å; R254-W288 HydrophobicContact CG-CG 4.42Å; R254-W288 HydrophobicContact CG-CH2 4.26Å; R254-W288 HydrophobicContact CG-CZ2 3.93Å; R254-W288 HydrophobicContact CG-CZ3 4.36Å; L265-W288 HydrophobicContact CD1-CZ3 4.18Å; L265-W288 HydrophobicContact CD2-CZ3 4.16Å; P286-W288 VanDerWaalsContact C-N 3.32Å; P286-W288 PolarHBondContact O-N 3.39Å; W288-E307 WeakPolarHBondContact O-CA 3.48Å; W288-I308 HydrophobicContact CB-CD1 3.94Å; W288-I308 HydrophobicContact CB-CG1 4.14Å; W288-I308 VanDerWaalsContact CB-O 3.31Å; W288-I308 WeakPolarHBondContact CB-O 3.45Å; W288-I308 PolarHBondContact O-N 3.26Å; W288-I308 VanDerWaalsContact O-N 3.07Å; W288-P310 HydrophobicContact CD2-CG 4.14Å; W288-P310 HydrophobicContact CG-CG 4.11Å; W288-P310 HydrophobicContact CZ2-CG 4.34Å; W288-I333 HydrophobicContact CZ2-CG2 4.13Å; W288-L334 HydrophobicContact CH2-CD1 4.01Å; W288-L334 HydrophobicContact CH2-CD2 4.06Å; W288-L334 HydrophobicContact CH2-CG 3.8Å; W288-L334 HydrophobicContact CZ3-CD1 4.03Å; W288-L334 HydrophobicContact CZ3-CD2 4.23Å; W288-L334 HydrophobicContact CZ3-CG 4.21Å
289	V	98	Very high	92	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142	-180	-63.5	0	0	0	0	112.1	I252 A253 Y262 P286 I302 S306	I252-V289 WeakPolarHBondContact CA-O 3.48Å; A253-V289 HydrophobicContact CB-CG2 4.16Å; A253-V289 PolarHBondContact N-O 3.26Å; A253-V289 PolarHBondContact O-N 2.96Å; Y262-V289 HydrophobicContact CD1-CG2 3.53Å; Y262-V289 HydrophobicContact CE1-CB 4.36Å; Y262-V289 HydrophobicContact CE1-CG1 3.84Å; Y262-V289 HydrophobicContact CE1-CG2 3.59Å; Y262-V289 HydrophobicContact CG-CG2 4.46Å; P286-V289 HydrophobicContact CB-CG1 4.3Å; P286-V289 HydrophobicContact CG-CG1 3.46Å; P286-V289 VanDerWaalsContact CG-CG1 3.46Å; V289-I302 HydrophobicContact CG2-CD1 3.79Å; V289-S306 WeakPolarHBondContact CA-O 3.27Å
290	L	98	Very high	91.9	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.5	157.7	179.1	157.5	0	0	0	108.2	H168 L244 L245 Q251 I252 T305 S306 I308	H168-L290 VanDerWaalsContact CE1-CD2 3.47Å; H168-L290 WeakPolarHBondContact CE1-CD2 3.48Å; L244-L290 HydrophobicContact CB-CD1 4.03Å; L245-L290 HydrophobicContact CD2-CD1 3.88Å; L245-L290 HydrophobicContact CG-CD1 3.96Å; Q251-L290 WeakPolarHBondContact O-CA 3.16Å; I252-L290 HydrophobicContact CD1-CB 3.73Å; I252-L290 HydrophobicContact CD1-CD1 4.29Å; I252-L290 HydrophobicContact CD1-CG 4.11Å; L290-T305 CarbonylContact O-C 3.49Å; L290-T305 VanDerWaalsContact O-CA 3.23Å; L290-T305 WeakPolarHBondContact O-CA 3.17Å; L290-S306 PolarHBondContact N-O 3.2Å; L290-S306 PolarHBondContact O-N 2.87Å; L290-I308 HydrophobicContact CB-CG2 3.79Å
291	F	97.6	Very high	92	Very high	9 Å²	9	65.8 Å²	65.8	4%	0.039	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158	175.5	65.6	-90.9	0	0	0	111.4	Q251 A253 M264 F294 I302 I304 T305	Q251-F291 HydrophobicContact CB-CD1 4.33Å; Q251-F291 HydrophobicContact CB-CD2 4.14Å; Q251-F291 HydrophobicContact CB-CE1 4.07Å; Q251-F291 HydrophobicContact CB-CE2 3.87Å; Q251-F291 HydrophobicContact CB-CG 4.36Å; Q251-F291 HydrophobicContact CB-CZ 3.83Å; Q251-F291 VanDerWaalsContact CB-O 3.26Å; Q251-F291 WeakPolarHBondContact CB-O 3.31Å; Q251-F291 HydrophobicContact CG-CE2 4.1Å; Q251-F291 HydrophobicContact CG-CZ 4.27Å; Q251-F291 WeakPolarHBondContact O-CD1 3.15Å; Q251-F291 WeakPolarHBondContact O-CE1 3.4Å; Q251-F291 PolarHBondContact O-N 3.26Å; Q251-F291 PolarHBondContact OE1-O 3.1Å; A253-F291 HydrophobicContact CB-CD1 4.13Å; A253-F291 HydrophobicContact CB-CE1 4.05Å; M264-F291 HydrophobicContact CE-CZ 4.5Å; M264-F291 HydrophobicContact CG-CE1 3.93Å; M264-F291 HydrophobicContact CG-CZ 3.98Å; M264-F291 HydrophobicContact SD-CE1 4.27Å; M264-F291 HydrophobicContact SD-CZ 3.7Å; F291-F294 HydrophobicContact CE2-CB 4.06Å; F291-I302 HydrophobicContact CB-CB 3.86Å; F291-I302 HydrophobicContact CB-CD1 4.3Å; F291-I302 HydrophobicContact CB-CG2 4.27Å; F291-I302 HydrophobicContact CD1-CB 4.39Å; F291-I302 HydrophobicContact CD1-CD1 4.27Å; F291-I302 HydrophobicContact CD1-CG2 3.94Å; F291-I302 HydrophobicContact CD2-CB 4.22Å; F291-I302 HydrophobicContact CD2-CG2 3.81Å; F291-I302 HydrophobicContact CE1-CG2 4.22Å; F291-I302 HydrophobicContact CE2-CG2 4.09Å; F291-I302 HydrophobicContact CG-CB 3.91Å; F291-I302 HydrophobicContact CG-CD1 4.47Å; F291-I302 HydrophobicContact CG-CG2 3.73Å; F291-I302 HydrophobicContact CZ-CG2 4.28Å; F291-I304 WeakPolarHBondContact CA-O 3.09Å; F291-T305 HydrophobicContact CB-CG2 3.83Å
292	H	95.9	Very high	92.3	Very high	16 Å²	16	64.4 Å²	64.4	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-35.3	-179.5	-166.2	92.7	0	0	0	113.6	V137 Y248 Q251 R303 I304	V137-H292 WeakPolarHBondContact CG2-CE1 3.33Å; V137-H292 WeakPolarHBondContact CG2-NE2 3.45Å; Y248-H292 AromaticContact CE1-ND1 3.64Å; Y248-H292 AromaticContact CE2-ND1 3.99Å; Y248-H292 AromaticContact CZ-CE1 3.44Å; Y248-H292 VanDerWaalsContact CZ-CE1 3.44Å; Y248-H292 AromaticContact CZ-ND1 3.37Å; Y248-H292 PolarHBondContact OH-CE1 3.5Å; Y248-H292 PolarHBondContact OH-ND1 3.34Å; Q251-H292 PolarHBondContact OE1-O 2.89Å; H292-R303 PolarHBondContact N-O 3.04Å; H292-I304 HydrophobicContact CB-CB 3.88Å; H292-I304 HydrophobicContact CB-CD1 4.34Å; H292-I304 HydrophobicContact CB-CG2 4.21Å; H292-I304 PolarHBondContact N-O 2.76Å; H292-I304 VanDerWaalsContact N-O 3.11Å
293	K	93.3	Very high	92.5	Very high	92 Å²	92	65 Å²	65	40%	0.4	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.1	178.8	-52.8	-170.8	179.8	175.1	0	110.9	V137 I302 R303	V137-K293 PolarHBondContact O-NZ 3.49Å; K293-I302 CarbonylContact O-C 3.59Å; K293-I302 WeakPolarHBondContact O-CA 3.4Å; K293-R303 HydrophobicContact CB-CB 4.27Å; K293-R303 PolarHBondContact N-O 3.04Å; K293-R303 PolarHBondContact O-N 3.33Å
294	F	92.8	Very high	92.8	Very high	58 Å²	58	58.8 Å²	58.8	25%	0.254	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.5	166.5	174.8	-121.6	0	0	0	109.5	M264 A271 F291 I296 N300 Y301 I302	M264-F294 HydrophobicContact CE-CB 4.35Å; M264-F294 HydrophobicContact CE-CD1 4.13Å; M264-F294 HydrophobicContact CE-CD2 3.16Å; M264-F294 HydrophobicContact CE-CE1 4.21Å; M264-F294 HydrophobicContact CE-CE2 3.28Å; M264-F294 HydrophobicContact CE-CG 3.62Å; M264-F294 HydrophobicContact CE-CZ 3.81Å; A271-F294 HydrophobicContact CB-CD2 4.26Å; A271-F294 HydrophobicContact CB-CE2 3.84Å; F291-F294 HydrophobicContact CE2-CB 4.06Å; F294-I296 HydrophobicContact CD1-CG1 4.2Å; F294-I296 HydrophobicContact CE1-CD1 3.86Å; F294-I296 HydrophobicContact CE1-CG1 3.34Å; F294-I296 HydrophobicContact CZ-CD1 4.5Å; F294-I296 HydrophobicContact CZ-CG1 3.66Å; F294-N300 HydrophobicContact CE2-CB 3.86Å; F294-N300 HydrophobicContact CZ-CB 4.14Å; F294-Y301 WeakPolarHBondContact CD2-O 3.49Å; F294-I302 HydrophobicContact CD2-CG2 4.07Å
295	S	88.4	Confident	93.1	Very high	31 Å²	31	51.4 Å²	51.4	22%	0.217	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.5	177.5	54.7	0	0	0	0	110.9	Y301 R303	S295-Y301 PolarHBondContact N-O 2.9Å; S295-Y301 PolarHBondContact O-N 2.94Å; S295-Y301 PolarHBondContact OG-O 3.31Å; S295-R303 PolarHBondContact OG-NE 3.34Å
296	I	84.9	Confident	93.3	Very high	129 Å²	129	48 Å²	48	66%	0.662	24%	0.237	S	C	*	.			trans	-90.7	119.5	173.2	-56.8	173	0	0	0	107.7	F294	F294-I296 HydrophobicContact CD1-CG1 4.2Å; F294-I296 HydrophobicContact CE1-CD1 3.86Å; F294-I296 HydrophobicContact CE1-CG1 3.34Å; F294-I296 HydrophobicContact CZ-CD1 4.5Å; F294-I296 HydrophobicContact CZ-CG1 3.66Å
297	S	81.5	Confident	93.4	Very high	68 Å²	68	51.4 Å²	51.4	48%	0.476	25%	0.252	S	S	.	.	S	Bend	trans	-143.4	-151.9	176.2	78	0	0	0	0	110.1	N299	S297-N299 PolarHBondContact O-N 3.17Å; S297-N299 PolarHBondContact OG-N 2.9Å; S297-N299 PolarHBondContact OG-O 3.32Å
298	E	81.3	Confident	93.4	Very high	198 Å²	198	47.4 Å²	47.4	93%	0.925	23%	0.233	S	C	*	.	S	Bend	trans	-58.7	-39.7	169.1	-67.2	-179.8	178.6	0	0	110.9
299	N	86.4	Confident	93.3	Very high	83 Å²	83	49.2 Å²	49.2	44%	0.444	25%	0.247	S	C	.	.	S	Bend	trans	-116.5	139.7	166.4	-66.4	-29.3	0	0	0	109.6	S297 Y301	S297-N299 PolarHBondContact O-N 3.17Å; S297-N299 PolarHBondContact OG-N 2.9Å; S297-N299 PolarHBondContact OG-O 3.32Å; N299-Y301 HydrophobicContact CB-CD2 4.37Å; N299-Y301 HydrophobicContact CB-CE1 4.27Å; N299-Y301 HydrophobicContact CB-CE2 3.62Å; N299-Y301 PolarHBondContact ND2-OH 3.23Å; N299-Y301 VanDerWaalsContact O-CD2 3.27Å; N299-Y301 WeakPolarHBondContact O-CD2 3.34Å
300	N	92.9	Very high	93.2	Very high	57 Å²	57	50 Å²	50	31%	0.305	25%	0.253	S	S	.	.			trans	-75	126.8	173.6	-74.7	-13.4	0	0	0	109.6	V270 A271 Q272 F294	V270-N300 VanDerWaalsContact O-CB 3.3Å; V270-N300 WeakPolarHBondContact O-CB 3.28Å; V270-N300 PolarHBondContact O-ND2 3.06Å; A271-N300 CarbonylContact C-O 3.49Å; A271-N300 WeakPolarHBondContact CA-O 3.38Å; A271-N300 HydrophobicContact CB-CB 4.03Å; Q272-N300 PolarHBondContact N-O 3.45Å; F294-N300 HydrophobicContact CE2-CB 3.86Å; F294-N300 HydrophobicContact CZ-CB 4.14Å
301	Y	94.6	Very high	93.1	Very high	39 Å²	39	54 Å²	54	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.7	178.9	-64.4	-71.6	0	0	0	112.4	Q272 P275 F294 S295 N299	Q272-Y301 HydrophobicContact CB-CD1 4.09Å; Q272-Y301 HydrophobicContact CB-CE1 4.16Å; Q272-Y301 CarbonylContact O-C 3.56Å; Q272-Y301 VanDerWaalsContact O-CA 3.26Å; Q272-Y301 WeakPolarHBondContact O-CA 3.44Å; P275-Y301 HydrophobicContact CG-CE1 4.32Å; F294-Y301 WeakPolarHBondContact CD2-O 3.49Å; S295-Y301 PolarHBondContact N-O 2.9Å; S295-Y301 PolarHBondContact O-N 2.94Å; S295-Y301 PolarHBondContact OG-O 3.31Å; N299-Y301 HydrophobicContact CB-CD2 4.37Å; N299-Y301 HydrophobicContact CB-CE1 4.27Å; N299-Y301 HydrophobicContact CB-CE2 3.62Å; N299-Y301 PolarHBondContact ND2-OH 3.23Å; N299-Y301 VanDerWaalsContact O-CD2 3.27Å; N299-Y301 WeakPolarHBondContact O-CD2 3.34Å
302	I	96.4	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.5	160.8	53.9	173.3	0	0	0	110	A253 Y262 M264 A271 Q272 L273 H274 V289 F291 K293 F294 T305	A253-I302 HydrophobicContact CB-CD1 4.14Å; Y262-I302 HydrophobicContact CD1-CD1 4.45Å; Y262-I302 HydrophobicContact CG-CD1 4.14Å; M264-I302 HydrophobicContact CE-CG2 3.96Å; A271-I302 HydrophobicContact CB-CG2 3.93Å; Q272-I302 PolarHBondContact O-N 3.46Å; L273-I302 HydrophobicContact CD2-CD1 3.61Å; L273-I302 HydrophobicContact CD2-CG1 3.76Å; H274-I302 WeakPolarHBondContact CB-O 3.39Å; H274-I302 PolarHBondContact N-O 2.83Å; V289-I302 HydrophobicContact CG2-CD1 3.79Å; F291-I302 HydrophobicContact CB-CB 3.86Å; F291-I302 HydrophobicContact CB-CD1 4.3Å; F291-I302 HydrophobicContact CB-CG2 4.27Å; F291-I302 HydrophobicContact CD1-CB 4.39Å; F291-I302 HydrophobicContact CD1-CD1 4.27Å; F291-I302 HydrophobicContact CD1-CG2 3.94Å; F291-I302 HydrophobicContact CD2-CB 4.22Å; F291-I302 HydrophobicContact CD2-CG2 3.81Å; F291-I302 HydrophobicContact CE1-CG2 4.22Å; F291-I302 HydrophobicContact CE2-CG2 4.09Å; F291-I302 HydrophobicContact CG-CB 3.91Å; F291-I302 HydrophobicContact CG-CD1 4.47Å; F291-I302 HydrophobicContact CG-CG2 3.73Å; F291-I302 HydrophobicContact CZ-CG2 4.28Å; K293-I302 CarbonylContact O-C 3.59Å; K293-I302 WeakPolarHBondContact O-CA 3.4Å; F294-I302 HydrophobicContact CD2-CG2 4.07Å; I302-T305 HydrophobicContact CB-CG2 4.37Å; I302-T305 HydrophobicContact CD1-CG2 4.13Å; I302-T305 HydrophobicContact CG1-CG2 4.1Å
303	R	95.9	Very high	93	Very high	79 Å²	79	53.3 Å²	53.3	30%	0.298	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.8	-172.8	-64.8	170.8	179.5	-84.3	-5.8	110.2	H274 H292 K293 S295	H274-R303 HydrophobicContact CB-CG 3.85Å; H274-R303 PolarHBondContact CD2-NH1 3.35Å; H274-R303 PolarHBondContact CD2-NH2 3.47Å; H274-R303 PolarHBondContact CE1-NH1 3.17Å; H274-R303 PolarHBondContact NE2-NH1 3.17Å; H274-R303 PolarHBondContact NE2-NH2 3.21Å; H292-R303 PolarHBondContact N-O 3.04Å; K293-R303 HydrophobicContact CB-CB 4.27Å; K293-R303 PolarHBondContact N-O 3.04Å; K293-R303 PolarHBondContact O-N 3.33Å; S295-R303 PolarHBondContact OG-NE 3.34Å
304	I	97.3	Very high	93.1	Very high	35 Å²	35	50.2 Å²	50.2	18%	0.179	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.9	80	-177.8	-49.6	163.8	0	0	0	108.3	V137 D167 H168 L171 F291 H292	V137-I304 HydrophobicContact CB-CD1 4.37Å; V137-I304 HydrophobicContact CG1-CD1 3.97Å; V137-I304 HydrophobicContact CG1-CG2 4.3Å; D167-I304 HydrophobicContact CB-CB 4.49Å; D167-I304 HydrophobicContact CB-CG2 4.18Å; H168-I304 PolarHBondContact CE1-O 2.83Å; L171-I304 HydrophobicContact CD1-CG2 3.93Å; F291-I304 WeakPolarHBondContact CA-O 3.09Å; H292-I304 HydrophobicContact CB-CB 3.88Å; H292-I304 HydrophobicContact CB-CD1 4.34Å; H292-I304 HydrophobicContact CB-CG2 4.21Å; H292-I304 PolarHBondContact N-O 2.76Å; H292-I304 VanDerWaalsContact N-O 3.11Å
305	T	97.8	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.1	-171.3	60.3	0	0	0	0	111.8	G166 D167 L273 S277 L290 F291 I302	G166-T305 CarbonylContact C-O 3.53Å; G166-T305 WeakPolarHBondContact CA-O 3.33Å; D167-T305 WeakPolarHBondContact CB-O 3.49Å; D167-T305 PolarHBondContact N-O 3.27Å; D167-T305 PolarHBondContact OD2-N 3.17Å; D167-T305 PolarHBondContact OD2-OG1 2.99Å; L273-T305 HydrophobicContact CD2-CG2 3.91Å; S277-T305 PolarHBondContact OG-OG1 3.41Å; L290-T305 CarbonylContact O-C 3.49Å; L290-T305 VanDerWaalsContact O-CA 3.23Å; L290-T305 WeakPolarHBondContact O-CA 3.17Å; F291-T305 HydrophobicContact CB-CG2 3.83Å; I302-T305 HydrophobicContact CB-CG2 4.37Å; I302-T305 HydrophobicContact CD1-CG2 4.13Å; I302-T305 HydrophobicContact CG1-CG2 4.1Å
306	S	97.9	Very high	93.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.1	173.4	-80.6	0	0	0	0	110.6	E165 H168 V289 L290	E165-S306 WeakPolarHBondContact O-CB 3.39Å; E165-S306 PolarHBondContact O-OG 2.98Å; E165-S306 VanDerWaalsContact O-OG 3.07Å; H168-S306 WeakPolarHBondContact ND1-CB 3.41Å; H168-S306 PolarHBondContact ND1-OG 2.99Å; V289-S306 WeakPolarHBondContact CA-O 3.27Å; L290-S306 PolarHBondContact N-O 3.2Å; L290-S306 PolarHBondContact O-N 2.87Å
307	E	97.3	Very high	93.9	Very high	82 Å²	82	48 Å²	48	38%	0.383	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	133.3	175.4	176.5	177.9	-155.7	0	0	110.5	K241 Y279 P286 W288	K241-E307 WeakPolarHBondContact CE-O 3.38Å; K241-E307 PolarHBondContact NZ-O 3.49Å; Y279-E307 VanDerWaalsContact OH-CB 3.29Å; Y279-E307 WeakPolarHBondContact OH-CB 3.46Å; Y279-E307 PolarHBondContact OH-N 3.47Å; P286-E307 HydrophobicContact CB-CB 3.76Å; P286-E307 HydrophobicContact CB-CG 3.63Å; P286-E307 HydrophobicContact CG-CB 4.06Å; P286-E307 HydrophobicContact CG-CG 4.47Å; W288-E307 WeakPolarHBondContact O-CA 3.48Å
308	I	96.3	Very high	94.5	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.036	23%	0.232	C	C	.	.			trans	-128	153.3	174.3	58.6	106.4	0	0	0	109.1	L245 I252 W288 L290 F313	L245-I308 HydrophobicContact CD1-CB 4.37Å; L245-I308 HydrophobicContact CD1-CG2 4.08Å; L245-I308 HydrophobicContact CD2-CG2 4.16Å; L245-I308 HydrophobicContact CG-CG2 4.15Å; I252-I308 HydrophobicContact CD1-CD1 4.18Å; I252-I308 HydrophobicContact CD1-CG1 4.32Å; I252-I308 HydrophobicContact CG2-CD1 4.09Å; W288-I308 HydrophobicContact CB-CD1 3.94Å; W288-I308 HydrophobicContact CB-CG1 4.14Å; W288-I308 VanDerWaalsContact CB-O 3.31Å; W288-I308 WeakPolarHBondContact CB-O 3.45Å; W288-I308 PolarHBondContact O-N 3.26Å; W288-I308 VanDerWaalsContact O-N 3.07Å; L290-I308 HydrophobicContact CB-CG2 3.79Å; I308-F313 HydrophobicContact CD1-CB 4.11Å
309	S	95.6	Very high	95	Very high	47 Å²	47	45.3 Å²	45.3	33%	0.329	23%	0.225	S	C	.	.			trans	-97.2	147	172.7	96	0	0	0	0	110.3	E311 L312 F313	S309-E311 WeakPolarHBondContact CB-OE2 3.43Å; S309-E311 PolarHBondContact O-N 3.37Å; S309-E311 PolarHBondContact OG-N 2.89Å; S309-E311 PolarHBondContact OG-OE2 3.01Å; S309-L312 PolarHBondContact O-N 2.9Å; S309-L312 PolarHBondContact OG-N 3.48Å; S309-L312 VanDerWaalsContact OG-N 3.14Å; S309-F313 PolarHBondContact O-N 3.35Å
310	P	95.8	Very high	95.2	Very high	18 Å²	18	47.4 Å²	47.4	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-53.5	-39.4	173.3	-29.6	38.2	0	0	0	113.2	W288 F313 M314 L334 V337	W288-P310 HydrophobicContact CD2-CG 4.14Å; W288-P310 HydrophobicContact CG-CG 4.11Å; W288-P310 HydrophobicContact CZ2-CG 4.34Å; P310-F313 PolarHBondContact O-N 3.06Å; P310-M314 WeakPolarHBondContact O-CG 3.5Å; P310-M314 PolarHBondContact O-N 3.41Å; P310-L334 HydrophobicContact CB-CD2 3.89Å; P310-V337 HydrophobicContact CB-CG2 4.01Å
311	E	95.5	Very high	95.3	Very high	83 Å²	83	45 Å²	45	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-64.5	-43.8	179.5	-53.4	73	-160.4	0	0	111.1	S309 M314 Q315 V337	S309-E311 WeakPolarHBondContact CB-OE2 3.43Å; S309-E311 PolarHBondContact O-N 3.37Å; S309-E311 PolarHBondContact OG-N 2.89Å; S309-E311 PolarHBondContact OG-OE2 3.01Å; E311-M314 PolarHBondContact O-N 3.27Å; E311-Q315 VanDerWaalsContact O-CG 3.28Å; E311-Q315 WeakPolarHBondContact O-CG 3.46Å; E311-Q315 PolarHBondContact O-N 3.12Å; E311-Q315 VanDerWaalsContact O-N 3.1Å; E311-V337 HydrophobicContact CB-CG1 4.28Å; E311-V337 HydrophobicContact CG-CG1 3.94Å
312	L	95.4	Very high	95.3	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-39.7	178.8	-171.3	62.9	0	0	0	111.5	L238 K241 K242 L245 S309 Q315	L238-L312 HydrophobicContact CD1-CD1 3.77Å; L238-L312 HydrophobicContact CD1-CD2 3.87Å; L238-L312 HydrophobicContact CD1-CG 4.47Å; K241-L312 HydrophobicContact CB-CD2 3.73Å; K241-L312 HydrophobicContact CD-CD2 4.43Å; K242-L312 HydrophobicContact CD-CD1 4.48Å; K242-L312 HydrophobicContact CG-CD1 3.69Å; L245-L312 HydrophobicContact CD1-CB 4.26Å; L245-L312 HydrophobicContact CD1-CD2 3.67Å; L245-L312 HydrophobicContact CD1-CG 3.62Å; S309-L312 PolarHBondContact O-N 2.9Å; S309-L312 PolarHBondContact OG-N 3.48Å; S309-L312 VanDerWaalsContact OG-N 3.14Å; L312-Q315 PolarHBondContact O-N 3.02Å
313	F	96.4	Very high	95.2	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-49.3	174.2	174.7	-95.7	0	0	0	111.1	L245 F249 I252 L265 I308 S309 P310 Q315 L316 V317 Y321 L334	L245-F313 HydrophobicContact CD2-CD2 3.94Å; F249-F313 HydrophobicContact CB-CE2 3.91Å; F249-F313 WeakPolarHBondContact O-CE2 3.41Å; I252-F313 HydrophobicContact CB-CE2 4.47Å; I252-F313 HydrophobicContact CD1-CD2 4.26Å; I252-F313 HydrophobicContact CD1-CE2 4.47Å; I252-F313 HydrophobicContact CG1-CD2 3.75Å; I252-F313 HydrophobicContact CG1-CE2 3.55Å; L265-F313 HydrophobicContact CD1-CZ 4.39Å; I308-F313 HydrophobicContact CD1-CB 4.11Å; S309-F313 PolarHBondContact O-N 3.35Å; P310-F313 PolarHBondContact O-N 3.06Å; F313-Q315 PolarHBondContact O-N 3.26Å; F313-L316 PolarHBondContact O-N 3.16Å; F313-L316 VanDerWaalsContact O-N 3.1Å; F313-V317 HydrophobicContact CD1-CB 4.4Å; F313-V317 HydrophobicContact CD1-CG1 4.32Å; F313-V317 HydrophobicContact CE1-CB 4Å; F313-V317 HydrophobicContact CE1-CG1 4.01Å; F313-V317 HydrophobicContact CE1-CG2 4Å; F313-V317 HydrophobicContact CE2-CB 4.26Å; F313-V317 HydrophobicContact CE2-CG2 4.14Å; F313-V317 HydrophobicContact CZ-CB 3.94Å; F313-V317 HydrophobicContact CZ-CG1 4.43Å; F313-V317 HydrophobicContact CZ-CG2 3.6Å; F313-V317 WeakPolarHBondContact O-CB 3.46Å; F313-V317 PolarHBondContact O-N 3.24Å; F313-Y321 HydrophobicContact CZ-CE1 4.21Å; F313-L334 HydrophobicContact CD1-CD1 4.11Å; F313-L334 HydrophobicContact CD1-CD2 3.81Å; F313-L334 HydrophobicContact CE1-CD1 3.82Å; F313-L334 HydrophobicContact CE1-CD2 4.36Å
314	M	95.6	Very high	95.1	Very high	26 Å²	26	47.3 Å²	47.3	13%	0.128	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-22.6	-178.9	-68.9	-44.6	-64.8	0	0	114	P310 E311 L316 V317 F322 L334 V337 V338	P310-M314 WeakPolarHBondContact O-CG 3.5Å; P310-M314 PolarHBondContact O-N 3.41Å; E311-M314 PolarHBondContact O-N 3.27Å; M314-L316 VanDerWaalsContact C-N 3.33Å; M314-V317 HydrophobicContact CE-CG1 3.91Å; M314-V317 HydrophobicContact SD-CG1 3.92Å; M314-F322 HydrophobicContact CE-CD1 3.9Å; M314-F322 HydrophobicContact CE-CD2 3.59Å; M314-F322 HydrophobicContact CE-CE1 3.9Å; M314-F322 HydrophobicContact CE-CE2 3.62Å; M314-F322 HydrophobicContact CE-CG 3.75Å; M314-F322 HydrophobicContact CE-CZ 3.76Å; M314-F322 HydrophobicContact SD-CD2 3.85Å; M314-F322 HydrophobicContact SD-CE2 3.74Å; M314-F322 HydrophobicContact SD-CZ 4.34Å; M314-L334 HydrophobicContact CG-CB 4.36Å; M314-L334 HydrophobicContact CG-CD2 3.98Å; M314-L334 HydrophobicContact SD-CB 3.81Å; M314-L334 HydrophobicContact SD-CD1 4.48Å; M314-L334 HydrophobicContact SD-CD2 3.91Å; M314-L334 HydrophobicContact SD-CG 4.28Å; M314-V337 HydrophobicContact CB-CG1 4.42Å; M314-V337 HydrophobicContact CG-CB 4.49Å; M314-V337 HydrophobicContact CG-CG1 4.23Å; M314-V338 HydrophobicContact CB-CG2 4.24Å; M314-V338 HydrophobicContact CE-CG2 3.21Å; M314-V338 HydrophobicContact CG-CG2 4.08Å; M314-V338 HydrophobicContact SD-CG2 4.4Å
315	Q	93.5	Very high	94.9	Very high	116 Å²	116	46.2 Å²	46.2	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-71.3	-25.8	173.8	-75.9	170.4	20.1	0	0	113.6	E311 L312 F313	E311-Q315 VanDerWaalsContact O-CG 3.28Å; E311-Q315 WeakPolarHBondContact O-CG 3.46Å; E311-Q315 PolarHBondContact O-N 3.12Å; E311-Q315 VanDerWaalsContact O-N 3.1Å; L312-Q315 PolarHBondContact O-N 3.02Å; F313-Q315 PolarHBondContact O-N 3.26Å
316	L	94.6	Very high	94.6	Very high	42 Å²	42	47.8 Å²	47.8	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-114.8	-22.5	-170	-66.1	169.5	0	0	0	113.7	F124 K242 L245 F313 M314	F124-L316 HydrophobicContact CE2-CD2 4.49Å; F124-L316 HydrophobicContact CZ-CD2 3.87Å; K242-L316 VanDerWaalsContact CA-CD1 3.49Å; K242-L316 HydrophobicContact CB-CD1 3.84Å; K242-L316 HydrophobicContact CG-CD1 3.98Å; K242-L316 WeakPolarHBondContact O-CD1 3.49Å; L245-L316 HydrophobicContact CB-CD1 3.61Å; L245-L316 HydrophobicContact CD1-CD1 4.11Å; F313-L316 PolarHBondContact O-N 3.16Å; F313-L316 VanDerWaalsContact O-N 3.1Å; M314-L316 VanDerWaalsContact C-N 3.33Å
317	V	94.6	Very high	94.4	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.085	28%	0.277	C	S	.	.	S	Bend	trans	-67.4	132.8	-176	70.8	0	0	0	0	111.1	F249 F313 M314 Q319 Y321 F322	F249-V317 HydrophobicContact CB-CG2 4.42Å; F249-V317 HydrophobicContact CD2-CG2 4.24Å; F313-V317 HydrophobicContact CD1-CB 4.4Å; F313-V317 HydrophobicContact CD1-CG1 4.32Å; F313-V317 HydrophobicContact CE1-CB 4Å; F313-V317 HydrophobicContact CE1-CG1 4.01Å; F313-V317 HydrophobicContact CE1-CG2 4Å; F313-V317 HydrophobicContact CE2-CB 4.26Å; F313-V317 HydrophobicContact CE2-CG2 4.14Å; F313-V317 HydrophobicContact CZ-CB 3.94Å; F313-V317 HydrophobicContact CZ-CG1 4.43Å; F313-V317 HydrophobicContact CZ-CG2 3.6Å; F313-V317 WeakPolarHBondContact O-CB 3.46Å; F313-V317 PolarHBondContact O-N 3.24Å; M314-V317 HydrophobicContact CE-CG1 3.91Å; M314-V317 HydrophobicContact SD-CG1 3.92Å; V317-Q319 PolarHBondContact O-N 3.3Å; V317-Y321 HydrophobicContact CG2-CD1 3.37Å; V317-Y321 HydrophobicContact CG2-CE1 3.97Å; V317-Y321 HydrophobicContact CG2-CG 4.37Å; V317-F322 HydrophobicContact CG1-CB 4.27Å; V317-F322 HydrophobicContact CG2-CB 4.37Å
318	P	93.9	Very high	94.1	Very high	40 Å²	40	50 Å²	50	26%	0.26	27%	0.267	S	S	.	.			trans	-59.8	132.4	171.7	-23.1	33	0	0	0	111.2	Y88 F249 Y320 Y321 F322	Y88-P318 WeakPolarHBondContact O-CG 3.42Å; F249-P318 HydrophobicContact CE1-CG 4.19Å; F249-P318 HydrophobicContact CE2-CG 4.11Å; F249-P318 HydrophobicContact CZ-CG 3.86Å; P318-Y320 PolarHBondContact O-N 3.23Å; P318-Y321 PolarHBondContact O-N 3.28Å; P318-Y321 VanDerWaalsContact O-N 3.14Å; P318-F322 PolarHBondContact O-N 2.75Å
319	Q	91.4	Very high	94	Very high	169 Å²	169	54.5 Å²	54.5	79%	0.79	29%	0.288	S	S	*	.	H	α-helix	trans	-57.5	-36	-179.4	-69.4	-175.2	-6.6	0	0	112.5	V317 F322 S323	V317-Q319 PolarHBondContact O-N 3.3Å; Q319-F322 PolarHBondContact O-N 3.44Å; Q319-S323 WeakPolarHBondContact O-CB 3.49Å; Q319-S323 PolarHBondContact O-N 3.21Å; Q319-S323 PolarHBondContact O-OG 2.8Å
320	Y	91.4	Very high	93.9	Very high	128 Å²	128	52.3 Å²	52.3	50%	0.502	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-46.1	178.4	-176.1	-122.3	0	0	0	111.7	Y88 P318 F322 S323 N324	Y88-Y320 AromaticContact CD1-CD1 3.87Å; Y88-Y320 HydrophobicContact CD1-CD1 3.87Å; Y88-Y320 HydrophobicContact CD1-CE1 4.43Å; Y88-Y320 AromaticContact CE1-CD1 3.33Å; Y88-Y320 HydrophobicContact CE1-CD1 3.33Å; Y88-Y320 AromaticContact CE1-CE1 3.67Å; Y88-Y320 HydrophobicContact CE1-CE1 3.67Å; Y88-Y320 HydrophobicContact CE1-CG 4.15Å; P318-Y320 PolarHBondContact O-N 3.23Å; Y320-F322 PolarHBondContact O-N 3.42Å; Y320-S323 PolarHBondContact O-N 3.29Å; Y320-N324 WeakPolarHBondContact CE2-ND2 3.46Å; Y320-N324 PolarHBondContact O-N 2.87Å; Y320-N324 VanDerWaalsContact O-N 3.16Å; Y320-N324 PolarHBondContact O-ND2 3.18Å
321	Y	94.7	Very high	93.8	Very high	6 Å²	6	53.4 Å²	53.4	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-48.7	173.2	171.5	-94.6	0	0	0	111.6	Y88 F249 M250 T266 F313 V317 P318 S323 N324 L325	Y88-Y321 HydrophobicContact CD1-CD2 4.39Å; Y88-Y321 HydrophobicContact CD1-CG 4.5Å; Y88-Y321 AromaticContact CD2-CD2 3.87Å; Y88-Y321 HydrophobicContact CD2-CD2 3.87Å; Y88-Y321 HydrophobicContact CE1-CD2 4.35Å; Y88-Y321 AromaticContact CE2-CD2 3.87Å; Y88-Y321 HydrophobicContact CE2-CD2 3.87Å; Y88-Y321 HydrophobicContact CG-CD2 4.16Å; F249-Y321 AromaticContact CD2-CD1 3.77Å; F249-Y321 HydrophobicContact CD2-CD1 3.77Å; F249-Y321 HydrophobicContact CD2-CD2 4.24Å; F249-Y321 AromaticContact CD2-CE1 3.95Å; F249-Y321 HydrophobicContact CD2-CE1 3.95Å; F249-Y321 HydrophobicContact CD2-CE2 4.44Å; F249-Y321 AromaticContact CD2-CG 3.91Å; F249-Y321 HydrophobicContact CD2-CG 3.91Å; F249-Y321 HydrophobicContact CE2-CD1 4.13Å; F249-Y321 AromaticContact CE2-CD2 3.94Å; F249-Y321 HydrophobicContact CE2-CD2 3.94Å; F249-Y321 HydrophobicContact CE2-CE2 4.44Å; F249-Y321 AromaticContact CE2-CG 3.76Å; F249-Y321 HydrophobicContact CE2-CG 3.76Å; M250-Y321 WeakPolarHBondContact CA-OH 3.35Å; M250-Y321 HydrophobicContact CB-CE2 4.24Å; M250-Y321 HydrophobicContact CG-CD2 4.06Å; M250-Y321 HydrophobicContact CG-CE2 3.63Å; T266-Y321 PolarHBondContact OG1-OH 2.87Å; F313-Y321 HydrophobicContact CZ-CE1 4.21Å; V317-Y321 HydrophobicContact CG2-CD1 3.37Å; V317-Y321 HydrophobicContact CG2-CE1 3.97Å; V317-Y321 HydrophobicContact CG2-CG 4.37Å; P318-Y321 PolarHBondContact O-N 3.28Å; P318-Y321 VanDerWaalsContact O-N 3.14Å; Y321-S323 VanDerWaalsContact C-N 3.29Å; Y321-S323 PolarHBondContact O-N 3.01Å; Y321-N324 PolarHBondContact O-N 3.34Å; Y321-N324 VanDerWaalsContact O-N 3.12Å; Y321-L325 HydrophobicContact CD1-CG 4.47Å; Y321-L325 HydrophobicContact CE1-CD1 4.17Å; Y321-L325 HydrophobicContact CE1-CD2 3.8Å; Y321-L325 HydrophobicContact CE1-CG 4.03Å; Y321-L325 HydrophobicContact CE2-CD2 4.31Å; Y321-L325 PolarHBondContact O-N 3.4Å; Y321-L325 VanDerWaalsContact O-N 3.13Å; Y321-L325 WeakPolarHBondContact OH-CD2 3.49Å
322	F	94.9	Very high	93.8	Very high	16 Å²	16	54 Å²	54	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-39.7	-179.1	-179.7	-103.4	0	0	0	112.4	M314 V317 P318 Q319 Y320 N324 L325 K331 L334 Q335	M314-F322 HydrophobicContact CE-CD1 3.9Å; M314-F322 HydrophobicContact CE-CD2 3.59Å; M314-F322 HydrophobicContact CE-CE1 3.9Å; M314-F322 HydrophobicContact CE-CE2 3.62Å; M314-F322 HydrophobicContact CE-CG 3.75Å; M314-F322 HydrophobicContact CE-CZ 3.76Å; M314-F322 HydrophobicContact SD-CD2 3.85Å; M314-F322 HydrophobicContact SD-CE2 3.74Å; M314-F322 HydrophobicContact SD-CZ 4.34Å; V317-F322 HydrophobicContact CG1-CB 4.27Å; V317-F322 HydrophobicContact CG2-CB 4.37Å; P318-F322 PolarHBondContact O-N 2.75Å; Q319-F322 PolarHBondContact O-N 3.44Å; Y320-F322 PolarHBondContact O-N 3.42Å; F322-N324 VanDerWaalsContact C-N 3.29Å; F322-N324 PolarHBondContact O-N 3.43Å; F322-L325 HydrophobicContact CD2-CD1 3.74Å; F322-L325 HydrophobicContact CE2-CD1 4.21Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 3.29Å; F322-K331 HydrophobicContact CE2-CG 4.3Å; F322-K331 HydrophobicContact CZ-CG 4.2Å; F322-K331 VanDerWaalsContact O-CE 3.29Å; F322-K331 WeakPolarHBondContact O-CE 3.48Å; F322-K331 PolarHBondContact O-NZ 3.05Å; F322-L334 HydrophobicContact CE2-CB 3.61Å; F322-L334 HydrophobicContact CE2-CD1 4.11Å; F322-L334 HydrophobicContact CZ-CB 4Å; F322-Q335 HydrophobicContact CZ-CB 4.42Å
323	S	93.2	Very high	93.7	Very high	75 Å²	75	55.4 Å²	55.4	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-39.6	176.8	-60.7	0	0	0	0	111.6	Q319 Y320 Y321 L325 K331	Q319-S323 WeakPolarHBondContact O-CB 3.49Å; Q319-S323 PolarHBondContact O-N 3.21Å; Q319-S323 PolarHBondContact O-OG 2.8Å; Y320-S323 PolarHBondContact O-N 3.29Å; Y321-S323 VanDerWaalsContact C-N 3.29Å; Y321-S323 PolarHBondContact O-N 3.01Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-L325 PolarHBondContact O-N 2.86Å; S323-K331 PolarHBondContact O-NZ 2.87Å
324	N	93.3	Very high	93.6	Very high	76 Å²	76	55.3 Å²	55.3	41%	0.406	29%	0.289	S	S	.	.	H	α-helix	trans	-80.2	-8.8	-178.8	-68.3	-18.1	0	0	0	114.4	Y88 Y320 Y321 F322	Y88-N324 WeakPolarHBondContact OH-CB 3.21Å; Y88-N324 PolarHBondContact OH-ND2 3.3Å; Y320-N324 WeakPolarHBondContact CE2-ND2 3.46Å; Y320-N324 PolarHBondContact O-N 2.87Å; Y320-N324 VanDerWaalsContact O-N 3.16Å; Y320-N324 PolarHBondContact O-ND2 3.18Å; Y321-N324 PolarHBondContact O-N 3.34Å; Y321-N324 VanDerWaalsContact O-N 3.12Å; F322-N324 VanDerWaalsContact C-N 3.29Å; F322-N324 PolarHBondContact O-N 3.43Å
325	L	93.8	Very high	93.6	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.058	30%	0.3	C	S	.	.	S	Bend	trans	-56	138.8	173.9	-76.8	177.5	0	0	0	111.4	L265 Y321 F322 S323 K331	L265-L325 HydrophobicContact CB-CD2 4.08Å; Y321-L325 HydrophobicContact CD1-CG 4.47Å; Y321-L325 HydrophobicContact CE1-CD1 4.17Å; Y321-L325 HydrophobicContact CE1-CD2 3.8Å; Y321-L325 HydrophobicContact CE1-CG 4.03Å; Y321-L325 HydrophobicContact CE2-CD2 4.31Å; Y321-L325 PolarHBondContact O-N 3.4Å; Y321-L325 VanDerWaalsContact O-N 3.13Å; Y321-L325 WeakPolarHBondContact OH-CD2 3.49Å; F322-L325 HydrophobicContact CD2-CD1 3.74Å; F322-L325 HydrophobicContact CE2-CD1 4.21Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 3.29Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-L325 PolarHBondContact O-N 2.86Å; L325-K331 HydrophobicContact CB-CD 3.98Å; L325-K331 WeakPolarHBondContact O-CD 3.35Å; L325-K331 PolarHBondContact O-NZ 2.96Å
326	P	92.3	Very high	93.5	Very high	34 Å²	34	57.5 Å²	57.5	22%	0.221	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-68	149.2	179.4	31.3	-37.4	0	0	0	111	L265 K268 S328	L265-P326 WeakPolarHBondContact O-CD 2.86Å; L265-P326 WeakPolarHBondContact O-CG 3.43Å; K268-P326 HydrophobicContact CD-CB 4.41Å; K268-P326 HydrophobicContact CD-CG 4.29Å; K268-P326 HydrophobicContact CG-CG 4.16Å; P326-S328 PolarHBondContact O-N 3.04Å
327	P	92.2	Very high	93.4	Very high	105 Å²	105	56.4 Å²	56.4	68%	0.682	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-60.8	130.3	-178.9	24.8	-33.8	0	0	0	110.4	K268	K268-P327 WeakPolarHBondContact CE-O 3.17Å; K268-P327 PolarHBondContact NZ-O 3.06Å
328	S	92.4	Very high	93	Very high	24 Å²	24	57.6 Å²	57.6	17%	0.168	30%	0.301	C	S	.	.			trans	-164	157.6	-177.9	59.4	0	0	0	0	110.1	P326 S330 K331 D332	P326-S328 PolarHBondContact O-N 3.04Å; S328-S330 PolarHBondContact O-N 3.21Å; S328-K331 WeakPolarHBondContact O-CA 3.28Å; S328-K331 WeakPolarHBondContact O-CB 3.19Å; S328-K331 PolarHBondContact O-N 3.25Å; S328-K331 PolarHBondContact OG-N 3.35Å; S328-D332 PolarHBondContact O-N 3.38Å
329	E	93	Very high	92.6	Very high	103 Å²	103	60.2 Å²	60.2	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-54.3	-39.1	172.6	-171.4	-162.7	133.6	0	0	111.6	R254 K331 D332 I333	R254-E329 IonicContact CZ-OE1 3.04Å; R254-E329 IonicContact NH1-OE1 2.89Å; R254-E329 PolarHBondContact NH1-OE1 3.14Å; R254-E329 IonicContact NH2-OE1 2.76Å; R254-E329 PolarHBondContact NH2-OE1 3.39Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 3.12Å; E329-D332 PolarHBondContact O-N 3.1Å; E329-I333 HydrophobicContact CG-CD1 4.25Å; E329-I333 WeakPolarHBondContact O-CG1 3.33Å; E329-I333 PolarHBondContact O-N 3.29Å
330	S	94	Very high	92	Very high	1 Å²	1	59 Å²	59	1%	0.007	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-41.8	174.8	-54.5	0	0	0	0	112.2	R254 S328 I333 L334	R254-S330 VanDerWaalsContact CD-OG 3.24Å; R254-S330 WeakPolarHBondContact CD-OG 3.38Å; S328-S330 PolarHBondContact O-N 3.21Å; S330-I333 PolarHBondContact O-N 3.45Å; S330-L334 VanDerWaalsContact O-CG 3.23Å; S330-L334 WeakPolarHBondContact O-CG 3.47Å; S330-L334 PolarHBondContact O-N 3.32Å; S330-L334 VanDerWaalsContact O-N 3.09Å
331	K	94.3	Very high	91	Very high	40 Å²	40	57 Å²	57	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-39.5	176.1	-170.9	178	-174.2	175.2	0	111.3	F322 S323 L325 S328 E329 L334 Q335	F322-K331 HydrophobicContact CE2-CG 4.3Å; F322-K331 HydrophobicContact CZ-CG 4.2Å; F322-K331 VanDerWaalsContact O-CE 3.29Å; F322-K331 WeakPolarHBondContact O-CE 3.48Å; F322-K331 PolarHBondContact O-NZ 3.05Å; S323-K331 PolarHBondContact O-NZ 2.87Å; L325-K331 HydrophobicContact CB-CD 3.98Å; L325-K331 WeakPolarHBondContact O-CD 3.35Å; L325-K331 PolarHBondContact O-NZ 2.96Å; S328-K331 WeakPolarHBondContact O-CA 3.28Å; S328-K331 WeakPolarHBondContact O-CB 3.19Å; S328-K331 PolarHBondContact O-N 3.25Å; S328-K331 PolarHBondContact OG-N 3.35Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 3.12Å; K331-L334 PolarHBondContact O-N 3.09Å; K331-Q335 WeakPolarHBondContact O-CB 3.45Å; K331-Q335 PolarHBondContact O-N 3.41Å
332	D	94.6	Very high	89.4	Confident	96 Å²	96	59.6 Å²	59.6	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-40.9	178.9	-60.3	-29	0	0	0	111.7	S328 E329 Q335 Q336	S328-D332 PolarHBondContact O-N 3.38Å; E329-D332 PolarHBondContact O-N 3.1Å; D332-Q335 PolarHBondContact O-N 2.9Å; D332-Q336 WeakPolarHBondContact O-CG 3.27Å; D332-Q336 PolarHBondContact O-N 2.92Å; D332-Q336 VanDerWaalsContact O-N 3.07Å
333	I	94.3	Very high	87.2	Confident	40 Å²	40	62.3 Å²	62.3	21%	0.205	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-45.8	174.6	-69.3	165.8	0	0	0	110.8	R254 W288 E329 S330 Q335 Q336 V337	R254-I333 VanDerWaalsContact NH1-CD1 3.27Å; W288-I333 HydrophobicContact CZ2-CG2 4.13Å; E329-I333 HydrophobicContact CG-CD1 4.25Å; E329-I333 WeakPolarHBondContact O-CG1 3.33Å; E329-I333 PolarHBondContact O-N 3.29Å; S330-I333 PolarHBondContact O-N 3.45Å; I333-Q335 VanDerWaalsContact C-N 3.28Å; I333-Q335 PolarHBondContact O-N 3.03Å; I333-Q336 WeakPolarHBondContact O-CB 3.44Å; I333-Q336 PolarHBondContact O-N 2.85Å; I333-V337 WeakPolarHBondContact O-CG2 3.47Å; I333-V337 PolarHBondContact O-N 3.38Å; I333-V337 VanDerWaalsContact O-N 3.12Å
334	L	94.6	Very high	84.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-35.8	177.4	-70.3	171.1	0	0	0	112.1	L265 W288 P310 F313 M314 F322 S330 K331 V337 V338	L265-L334 HydrophobicContact CD1-CD1 3.97Å; W288-L334 HydrophobicContact CH2-CD1 4.01Å; W288-L334 HydrophobicContact CH2-CD2 4.06Å; W288-L334 HydrophobicContact CH2-CG 3.8Å; W288-L334 HydrophobicContact CZ3-CD1 4.03Å; W288-L334 HydrophobicContact CZ3-CD2 4.23Å; W288-L334 HydrophobicContact CZ3-CG 4.21Å; P310-L334 HydrophobicContact CB-CD2 3.89Å; F313-L334 HydrophobicContact CD1-CD1 4.11Å; F313-L334 HydrophobicContact CD1-CD2 3.81Å; F313-L334 HydrophobicContact CE1-CD1 3.82Å; F313-L334 HydrophobicContact CE1-CD2 4.36Å; M314-L334 HydrophobicContact CG-CB 4.36Å; M314-L334 HydrophobicContact CG-CD2 3.98Å; M314-L334 HydrophobicContact SD-CB 3.81Å; M314-L334 HydrophobicContact SD-CD1 4.48Å; M314-L334 HydrophobicContact SD-CD2 3.91Å; M314-L334 HydrophobicContact SD-CG 4.28Å; F322-L334 HydrophobicContact CE2-CB 3.61Å; F322-L334 HydrophobicContact CE2-CD1 4.11Å; F322-L334 HydrophobicContact CZ-CB 4Å; S330-L334 VanDerWaalsContact O-CG 3.23Å; S330-L334 WeakPolarHBondContact O-CG 3.47Å; S330-L334 PolarHBondContact O-N 3.32Å; S330-L334 VanDerWaalsContact O-N 3.09Å; K331-L334 PolarHBondContact O-N 3.09Å; L334-V337 WeakPolarHBondContact O-CB 3.27Å; L334-V337 PolarHBondContact O-N 3.41Å; L334-V338 PolarHBondContact O-N 2.85Å
335	Q	93.7	Very high	82.1	Confident	77 Å²	77	65.6 Å²	65.6	36%	0.36	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-42.3	174.6	-173	61.9	64.2	0	0	111.7	F322 K331 D332 I333 V337 V338 D339	F322-Q335 HydrophobicContact CZ-CB 4.42Å; K331-Q335 WeakPolarHBondContact O-CB 3.45Å; K331-Q335 PolarHBondContact O-N 3.41Å; D332-Q335 PolarHBondContact O-N 2.9Å; I333-Q335 VanDerWaalsContact C-N 3.28Å; I333-Q335 PolarHBondContact O-N 3.03Å; Q335-V337 VanDerWaalsContact C-N 3.28Å; Q335-V337 PolarHBondContact O-N 3.26Å; Q335-V338 WeakPolarHBondContact O-CB 3.41Å; Q335-V338 PolarHBondContact O-N 3.1Å; Q335-V338 VanDerWaalsContact O-N 3.16Å; Q335-D339 PolarHBondContact NE2-OD1 3.13Å; Q335-D339 VanDerWaalsContact O-CG 3.29Å; Q335-D339 PolarHBondContact O-N 3.4Å; Q335-D339 VanDerWaalsContact O-N 3.09Å
336	Q	93.3	Very high	79.4	Confident	111 Å²	111	70 Å²	70	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-37.7	175.7	-68.9	170	21.4	0	0	112.1	D332 I333 V338 D339 H340	D332-Q336 WeakPolarHBondContact O-CG 3.27Å; D332-Q336 PolarHBondContact O-N 2.92Å; D332-Q336 VanDerWaalsContact O-N 3.07Å; I333-Q336 WeakPolarHBondContact O-CB 3.44Å; I333-Q336 PolarHBondContact O-N 2.85Å; Q336-V338 VanDerWaalsContact C-N 3.33Å; Q336-V338 PolarHBondContact O-N 3.03Å; Q336-D339 PolarHBondContact O-N 2.94Å; Q336-H340 PolarHBondContact O-CD2 3.43Å; Q336-H340 PolarHBondContact O-N 2.92Å
337	V	91.3	Very high	76.5	Confident	18 Å²	18	76 Å²	76	11%	0.109	42%	0.42	C	S	.	.	H	α-helix	trans	-61.1	-42	175.8	172	0	0	0	0	111.2	P310 E311 M314 I333 L334 Q335 H340 L341	P310-V337 HydrophobicContact CB-CG2 4.01Å; E311-V337 HydrophobicContact CB-CG1 4.28Å; E311-V337 HydrophobicContact CG-CG1 3.94Å; M314-V337 HydrophobicContact CB-CG1 4.42Å; M314-V337 HydrophobicContact CG-CB 4.49Å; M314-V337 HydrophobicContact CG-CG1 4.23Å; I333-V337 WeakPolarHBondContact O-CG2 3.47Å; I333-V337 PolarHBondContact O-N 3.38Å; I333-V337 VanDerWaalsContact O-N 3.12Å; L334-V337 WeakPolarHBondContact O-CB 3.27Å; L334-V337 PolarHBondContact O-N 3.41Å; Q335-V337 VanDerWaalsContact C-N 3.28Å; Q335-V337 PolarHBondContact O-N 3.26Å; V337-H340 PolarHBondContact O-N 2.98Å; V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.48Å; V337-L341 VanDerWaalsContact O-CG 3.31Å; V337-L341 WeakPolarHBondContact O-CG 3.36Å; V337-L341 PolarHBondContact O-N 3.02Å
338	V	87	Confident	73.7	Confident	40 Å²	40	78.4 Å²	78.4	24%	0.242	43%	0.427	C	S	.	.	H	α-helix	trans	-61.3	-45.6	174.6	174.5	0	0	0	0	111.4	M314 L334 Q335 Q336 H340 L341 S342	M314-V338 HydrophobicContact CB-CG2 4.24Å; M314-V338 HydrophobicContact CE-CG2 3.21Å; M314-V338 HydrophobicContact CG-CG2 4.08Å; M314-V338 HydrophobicContact SD-CG2 4.4Å; L334-V338 PolarHBondContact O-N 2.85Å; Q335-V338 WeakPolarHBondContact O-CB 3.41Å; Q335-V338 PolarHBondContact O-N 3.1Å; Q335-V338 VanDerWaalsContact O-N 3.16Å; Q336-V338 VanDerWaalsContact C-N 3.33Å; Q336-V338 PolarHBondContact O-N 3.03Å; V338-H340 PolarHBondContact O-N 3.19Å; V338-L341 PolarHBondContact O-N 3.39Å; V338-L341 VanDerWaalsContact O-N 3.15Å; V338-S342 WeakPolarHBondContact O-CB 3.4Å; V338-S342 PolarHBondContact O-N 3.18Å; V338-S342 PolarHBondContact O-OG 3.04Å
339	D	84.1	Confident	70.9	Confident	95 Å²	95	86.7 Å²	86.7	51%	0.508	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-31.7	-178.4	-61.2	-16.7	0	0	0	111.6	Q335 Q336 P343	Q335-D339 PolarHBondContact NE2-OD1 3.13Å; Q335-D339 VanDerWaalsContact O-CG 3.29Å; Q335-D339 PolarHBondContact O-N 3.4Å; Q335-D339 VanDerWaalsContact O-N 3.09Å; Q336-D339 PolarHBondContact O-N 2.94Å; D339-P343 WeakPolarHBondContact O-CD 3.42Å
340	H	79.1	Confident	68	Low	144 Å²	144	90.3 Å²	90.3	67%	0.667	48%	0.477	S	S	*	.	H	α-helix	trans	-81.7	-22.6	175.2	-73.3	-53.8	0	0	0	115.1	Q336 V337 V338 P343	Q336-H340 PolarHBondContact O-CD2 3.43Å; Q336-H340 PolarHBondContact O-N 2.92Å; V337-H340 PolarHBondContact O-N 2.98Å; V338-H340 PolarHBondContact O-N 3.19Å; H340-P343 WeakPolarHBondContact O-CD 3.31Å; H340-P343 WeakPolarHBondContact O-CG 3.31Å
341	L	71	Confident	65	Low	85 Å²	85	99.4 Å²	99.4	45%	0.445	52%	0.52	S	S	.	.	H	α-helix	trans	-80.1	-26.8	172	-72.2	168.1	0	0	0	112.2	V337 V338	V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.48Å; V337-L341 VanDerWaalsContact O-CG 3.31Å; V337-L341 WeakPolarHBondContact O-CG 3.36Å; V337-L341 PolarHBondContact O-N 3.02Å; V338-L341 PolarHBondContact O-N 3.39Å; V338-L341 VanDerWaalsContact O-N 3.15Å
342	S	60.3	Low	62	Low	60 Å²	60	106.5 Å²	106.5	42%	0.42	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-74.5	-16.6	-177.9	-55.5	0	0	0	0	118.2	V338 V344	V338-S342 WeakPolarHBondContact O-CB 3.4Å; V338-S342 PolarHBondContact O-N 3.18Å; V338-S342 PolarHBondContact O-OG 3.04Å; S342-V344 VanDerWaalsContact C-N 3.31Å; S342-V344 PolarHBondContact O-N 3.15Å
343	P	50.2	Low	59	Low	73 Å²	73	110.8 Å²	110.8	47%	0.474	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-83	0.2	-172.5	30.3	-26.4	0	0	0	114.4	D339 H340	D339-P343 WeakPolarHBondContact O-CD 3.42Å; H340-P343 WeakPolarHBondContact O-CD 3.31Å; H340-P343 WeakPolarHBondContact O-CG 3.31Å
344	V	43.2	Very low	56.1	Low	122 Å²	122	114.7 Å²	114.7	74%	0.739	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-103.4	-13.6	-175.3	-174.7	0	0	0	0	113.6	S342	S342-V344 VanDerWaalsContact C-N 3.31Å; S342-V344 PolarHBondContact O-N 3.15Å
345	S	36.4	Very low	53.1	Low	99 Å²	99	123.2 Å²	123.2	69%	0.692	64%	0.642	S	S	*	*	S	Bend	trans	-94.1	-11.4	-177.3	60.6	0	0	0	0	114.9
346	T	35.2	Very low	49.9	Very low	103 Å²	103	126 Å²	126	63%	0.632	66%	0.664	S	S	*	*	S	Bend	trans	-105.4	-6.7	-173.6	1.9	0	0	0	0	115.4
347	M	32.3	Very low	46.7	Very low	159 Å²	159	126.5 Å²	126.5	78%	0.783	68%	0.679	S	S	*	*	S	Bend	trans	-96.9	-2.3	-176.9	-66.5	-139.8	92.5	0	0	116.2
348	N	34	Very low	43.8	Very low	156 Å²	156	131 Å²	131	83%	0.834	71%	0.708	S	S	*	*	S	Bend	trans	-117.4	16.3	-176.9	-83.3	-16.6	0	0	0	115.6
349	K	32.8	Very low	41.1	Very low	198 Å²	198	138 Å²	138	86%	0.861	74%	0.739	S	S	*	*	S	Bend	trans	-123.1	-0.4	176.7	-84.9	-173.7	176.6	179.1	0	116.8
350	E	32	Very low	38.5	Very low	180 Å²	180	140.2 Å²	140.2	84%	0.841	76%	0.755	S	S	*	*	S	Bend	trans	-116.2	10.9	-177.6	-71.7	-168.9	158.7	0	0	115.9
351	Q	31.7	Very low	36.2	Very low	191 Å²	191	142.1 Å²	142.1	89%	0.893	77%	0.765	S	S	*	*	S	Bend	trans	-121.8	20	177.7	-78.6	-174.1	-15.8	0	0	115.7
352	Q	31.9	Very low	34.3	Very low	189 Å²	189	147.3 Å²	147.3	88%	0.883	79%	0.786	S	S	*	*	S	Bend	trans	-138.4	47.8	173.3	-138.7	169.2	15.4	0	0	113.3
353	M	30.6	Very low	32.9	Very low	187 Å²	187	155.5 Å²	155.5	92%	0.921	81%	0.808	S	S	*	*	S	Bend	trans	-145.8	63.5	157.7	-84.2	-160.1	67.9	0	0	109.7
354	C	34.6	Very low	31.8	Very low	122 Å²	122	158.2 Å²	158.2	82%	0.824	83%	0.827	S	S	*	*			trans	-146.2	140.5	152.8	-123.9	0	0	0	0	108.1
355	E	30.9	Very low	31.1	Very low	179 Å²	179	158.1 Å²	158.1	84%	0.836	83%	0.827	S	S	*	*			trans	97.9	120	175.5	-54.6	-170.4	160.2	0	0	117.2
356	T	26.2	Very low	30.8	Very low	134 Å²	134	161.1 Å²	161.1	82%	0.822	84%	0.835	S	S	*	*			trans	89.4	95.8	162.5	64.6	0	0	0	0	118.3
357	C	25.8	Very low	30.7	Very low	122 Å²	122	168.9 Å²	168.9	82%	0.824	86%	0.864	S	S	*	*				179.2	161.4	91.1	-105.1	0	0	0	0	113
358	P	30.8	Very low	30.6	Very low	112 Å²	112	169.4 Å²	169.4	73%	0.727	87%	0.868	S	S	*	*			trans	-90.9	165.7	-147.6	35.7	-36.2	0	0	0	115.4
359	E	31	Very low	30.4	Very low	189 Å²	189	170.1 Å²	170.1	88%	0.883	87%	0.87	S	S	*	*			trans	-44.2	130.2	168.4	-62.3	175	154.3	0	0	113
360	T	28.5	Very low	30.3	Very low	140 Å²	140	168.6 Å²	168.6	86%	0.859	87%	0.87	S	S	*	*			trans	-150.8	114.4	140.8	-13.2	0	0	0	0	109.2
361	E	30.7	Very low	30.2	Very low	184 Å²	184	167.9 Å²	167.9	86%	0.86	87%	0.872	S	S	*	*			trans	-55.9	134.8	167.7	-61.8	174.3	130.9	0	0	110.5
362	Q	30.8	Very low	30.1	Very low	194 Å²	194	166.4 Å²	166.4	91%	0.907	87%	0.871	S	S	*	*			trans	-166.2	123.4	131.2	-106.4	167.9	19.3	0	0	112.5
363	R	30.6	Very low	30	Very low	233 Å²	233	164.9 Å²	164.9	88%	0.879	87%	0.87	S	S	*	*			trans	-25.1	139.1	160.6	-66.2	166.8	170	163.5	-3.1	115.5
364	C	28.3	Very low	29.9	Very low	129 Å²	129	163.4 Å²	163.4	87%	0.872	87%	0.866	S	S	*	*				-178.2	147.7	101.6	-105.2	0	0	0	0	113.4
365	T	28.6	Very low	29.6	Very low	120 Å²	120	166.5 Å²	166.5	74%	0.736	87%	0.869	S	S	*	*			trans	-71.9	151.9	-177.7	30.3	0	0	0	0	116.2
366	L	29	Very low	29.5	Very low	163 Å²	163	165.5 Å²	165.5	85%	0.853	87%	0.872	S	S	*	*			trans	58.8	118.5	141.5	-66.5	162	0	0	0	119.6
367	Q	33.4	Very low	29.8	Very low	266 Å²	266	168.4 Å²	168.4	100%	1.243	88%	0.877	S	S	*	*				-154.2	0	99.8	-150.9	170.4	3.4	0	0	111.1

Retrieved 367 of 367 residues in 288.2 ms (Link to these results)

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