A0A087XZH9_POEFO Loading...

NEDD8-activating enzyme E1 catalytic subunit

AlphaFold DB , UniProt , Accession A0A087XZH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 442 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	32	Very low	41.1	Very low	238 Å²	238	115.5 Å²	115.5	100%	1.172	75%	0.75	S	S	*	*				0	105.2	0	-75	179.1	-160.7	0	0	106.5	V3	M1-V3 PolarHBondContact O-N 3.11Å
2	I	31.9	Very low	44.9	Very low	152 Å²	152	110.8 Å²	110.8	78%	0.779	71%	0.71	S	S	*	*			trans	-68.3	118.9	173.3	-65.9	165.3	0	0	0	105.4	D4	I2-D4 PolarHBondContact O-N 2.92Å
3	V	31.9	Very low	48.7	Very low	134 Å²	134	113.4 Å²	113.4	81%	0.812	70%	0.698	S	S	*	*			trans	-87.1	90.7	170	-174.7	0	0	0	0	105.6	M1 G5	M1-V3 PolarHBondContact O-N 3.11Å; V3-G5 PolarHBondContact O-N 3.05Å
4	D	36	Very low	52	Low	143 Å²	143	119.3 Å²	119.3	77%	0.765	71%	0.713	S	S	*	*			trans	-64.2	81.3	160.1	-74.6	-39.3	0	0	0	107.9	I2 V6	I2-D4 PolarHBondContact O-N 2.92Å; D4-V6 VanDerWaalsContact C-N 3.35Å; D4-V6 PolarHBondContact O-N 3.49Å
5	G	31.5	Very low	54.9	Low	62 Å²	62	113.4 Å²	113.4	64%	0.639	69%	0.687	S	S	*	*			trans	-92.5	66	172	0	0	0	0	0	110.1	V3 C7	V3-G5 PolarHBondContact O-N 3.05Å; G5-C7 VanDerWaalsContact C-N 3.26Å; G5-C7 PolarHBondContact O-N 3.16Å
6	V	38.9	Very low	57.5	Low	135 Å²	135	108.4 Å²	108.4	82%	0.818	65%	0.652	S	S	*	*			trans	-67.2	94.3	163.4	-179.3	0	0	0	0	106.7	D4 G8	D4-V6 VanDerWaalsContact C-N 3.35Å; D4-V6 PolarHBondContact O-N 3.49Å; V6-G8 VanDerWaalsContact C-N 3.34Å; V6-G8 PolarHBondContact O-N 3.25Å
7	C	34.4	Very low	59.8	Low	123 Å²	123	103.1 Å²	103.1	83%	0.831	62%	0.618	S	S	*	*			trans	-68.1	94.5	171.8	-125	0	0	0	0	107.9	G5 G9	G5-C7 VanDerWaalsContact C-N 3.26Å; G5-C7 PolarHBondContact O-N 3.16Å; C7-G9 PolarHBondContact O-N 3.47Å
8	G	34.3	Very low	62	Low	84 Å²	84	102.2 Å²	102.2	87%	0.866	61%	0.609	S	S	*	*			trans	-71.5	32.9	177.8	0	0	0	0	0	115	V6	V6-G8 VanDerWaalsContact C-N 3.34Å; V6-G8 PolarHBondContact O-N 3.25Å
9	G	44.3	Very low	63.9	Low	54 Å²	54	104.3 Å²	104.3	56%	0.557	61%	0.612	S	S	*	*	S	Bend	trans	-100	137.7	166.3	0	0	0	0	0	109.1	C7 C11	C7-G9 PolarHBondContact O-N 3.47Å; G9-C11 PolarHBondContact O-N 3.2Å
10	S	58.4	Low	65.6	Low	99 Å²	99	99.8 Å²	99.8	69%	0.692	59%	0.585	S	S	*	*			trans	-46.4	110.8	166	168.6	0	0	0	0	109	E12	S10-E12 PolarHBondContact O-N 2.93Å; S10-E12 WeakPolarHBondContact OG-CB 3.1Å; S10-E12 PolarHBondContact OG-N 3.3Å; S10-E12 PolarHBondContact OG-O 3.25Å
11	C	78.3	Confident	67.2	Low	47 Å²	47	98.5 Å²	98.5	32%	0.318	57%	0.573	S	S	.	*	S	Bend	trans	-64.1	-7.1	171.9	57.7	0	0	0	0	111.7	G9 R16 R73 P116	G9-C11 PolarHBondContact O-N 3.2Å; C11-R16 PolarHBondContact O-NH1 3Å; C11-R73 PolarHBondContact SG-NH2 3.03Å; C11-P116 HydrophobicContact CB-CB 4.19Å
12	E	87.3	Confident	70.3	Confident	58 Å²	58	92 Å²	92	27%	0.271	54%	0.538	S	S	.	.			trans	-91.8	122.2	173.3	-67.2	-60.3	138.9	0	0	110.5	S10 R16 W17 R73	S10-E12 PolarHBondContact O-N 2.93Å; S10-E12 WeakPolarHBondContact OG-CB 3.1Å; S10-E12 PolarHBondContact OG-N 3.3Å; S10-E12 PolarHBondContact OG-O 3.25Å; E12-R16 IonicContact OE1-CZ 3.66Å; E12-R16 IonicContact OE1-NH1 2.8Å; E12-R16 WeakPolarHBondContact OE2-CD 3.3Å; E12-W17 PolarHBondContact OE1-NE1 3.42Å; E12-W17 PolarHBondContact OE2-NE1 2.86Å; E12-R73 IonicContact OE1-CZ 3.09Å; E12-R73 IonicContact OE1-NH2 2.69Å; E12-R73 PolarHBondContact OE1-NH2 3.3Å
13	W	93.8	Very high	73.5	Confident	145 Å²	145	89.3 Å²	89.3	55%	0.549	52%	0.52	S	S	.	.			trans	-108	158.3	170.7	61.9	87.9	0	0	0	110.5	G15 R16 P116	W13-G15 PolarHBondContact O-N 3.21Å; W13-R16 HydrophobicContact CD2-CB 3.98Å; W13-R16 HydrophobicContact CD2-CG 4.13Å; W13-R16 HydrophobicContact CE3-CG 4.48Å; W13-R16 HydrophobicContact CG-CB 4.13Å; W13-R16 HydrophobicContact CH2-CG 4.02Å; W13-R16 HydrophobicContact CZ2-CB 4.17Å; W13-R16 HydrophobicContact CZ2-CG 3.6Å; W13-R16 HydrophobicContact CZ3-CG 4.43Å; W13-R16 VanDerWaalsContact O-CB 3.31Å; W13-R16 WeakPolarHBondContact O-CB 3.49Å; W13-R16 PolarHBondContact O-N 3.46Å; W13-R16 VanDerWaalsContact O-N 3.16Å; W13-P116 HydrophobicContact CZ3-CB 4.47Å; W13-P116 HydrophobicContact CZ3-CG 4.14Å
14	E	95.3	Very high	76.7	Confident	196 Å²	196	82.9 Å²	82.9	92%	0.916	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	129.2	-179.2	-169.9	-179.8	176	0	0	111.2	R16	E14-R16 VanDerWaalsContact C-N 3.28Å; E14-R16 PolarHBondContact O-N 3.14Å
15	G	95.6	Very high	79.6	Confident	31 Å²	31	79.9 Å²	79.9	32%	0.32	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	1.5	177	0	0	0	0	0	116.3	W13 W17 N18	W13-G15 PolarHBondContact O-N 3.21Å; G15-W17 VanDerWaalsContact C-N 3.29Å; G15-W17 PolarHBondContact O-N 2.77Å; G15-N18 VanDerWaalsContact CA-CG 3.42Å; G15-N18 VanDerWaalsContact CA-ND2 3.26Å; G15-N18 WeakPolarHBondContact CA-ND2 3.4Å; G15-N18 WeakPolarHBondContact CA-OD1 3.27Å; G15-N18 WeakPolarHBondContact O-CB 3.5Å; G15-N18 VanDerWaalsContact O-CG 3.26Å; G15-N18 PolarHBondContact O-N 3.32Å; G15-N18 VanDerWaalsContact O-N 3.13Å; G15-N18 PolarHBondContact O-ND2 2.91Å
16	R	96.1	Very high	82.8	Confident	34 Å²	34	84.5 Å²	84.5	13%	0.128	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-47.8	179.3	-178.8	175	178	175.4	-4	113.2	C11 E12 W13 E14 P116	C11-R16 PolarHBondContact O-NH1 3Å; E12-R16 IonicContact OE1-CZ 3.66Å; E12-R16 IonicContact OE1-NH1 2.8Å; E12-R16 WeakPolarHBondContact OE2-CD 3.3Å; W13-R16 HydrophobicContact CD2-CB 3.98Å; W13-R16 HydrophobicContact CD2-CG 4.13Å; W13-R16 HydrophobicContact CE3-CG 4.48Å; W13-R16 HydrophobicContact CG-CB 4.13Å; W13-R16 HydrophobicContact CH2-CG 4.02Å; W13-R16 HydrophobicContact CZ2-CB 4.17Å; W13-R16 HydrophobicContact CZ2-CG 3.6Å; W13-R16 HydrophobicContact CZ3-CG 4.43Å; W13-R16 VanDerWaalsContact O-CB 3.31Å; W13-R16 WeakPolarHBondContact O-CB 3.49Å; W13-R16 PolarHBondContact O-N 3.46Å; W13-R16 VanDerWaalsContact O-N 3.16Å; E14-R16 VanDerWaalsContact C-N 3.28Å; E14-R16 PolarHBondContact O-N 3.14Å; R16-P116 VanDerWaalsContact CZ-O 3.24Å; R16-P116 PolarHBondContact NH1-O 2.75Å; R16-P116 PolarHBondContact NH2-O 3.27Å
17	W	97.6	Very high	85.6	Confident	18 Å²	18	82.7 Å²	82.7	7%	0.068	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	18.5	-176.2	-58.6	113.2	0	0	0	114.1	E12 G15 H19 V20 K21 L42 A68 L69	E12-W17 PolarHBondContact OE1-NE1 3.42Å; E12-W17 PolarHBondContact OE2-NE1 2.86Å; G15-W17 VanDerWaalsContact C-N 3.29Å; G15-W17 PolarHBondContact O-N 2.77Å; W17-H19 PolarHBondContact O-N 2.78Å; W17-H19 VanDerWaalsContact O-N 3.1Å; W17-V20 HydrophobicContact CE3-CG2 3.99Å; W17-V20 PolarHBondContact O-N 3.42Å; W17-V20 VanDerWaalsContact O-N 3.1Å; W17-K21 HydrophobicContact CB-CG 4.33Å; W17-K21 WeakPolarHBondContact O-CB 3.19Å; W17-K21 WeakPolarHBondContact O-CG 3.29Å; W17-K21 PolarHBondContact O-N 2.76Å; W17-L42 HydrophobicContact CB-CD1 4.44Å; W17-L42 HydrophobicContact CB-CD2 3.7Å; W17-L42 HydrophobicContact CG-CD1 4.31Å; W17-L42 HydrophobicContact CG-CD2 3.96Å; W17-A68 WeakPolarHBondContact CH2-O 3.4Å; W17-L69 WeakPolarHBondContact CZ3-O 3.3Å
18	N	98.3	Very high	88.6	Confident	87 Å²	87	78.3 Å²	78.3	47%	0.465	43%	0.43	S	S	.	.	H	α-helix	trans	-57.1	-30.2	-176.6	-82.2	-8.3	0	0	0	114	G15 K22	G15-N18 VanDerWaalsContact CA-CG 3.42Å; G15-N18 VanDerWaalsContact CA-ND2 3.26Å; G15-N18 WeakPolarHBondContact CA-ND2 3.4Å; G15-N18 WeakPolarHBondContact CA-OD1 3.27Å; G15-N18 WeakPolarHBondContact O-CB 3.5Å; G15-N18 VanDerWaalsContact O-CG 3.26Å; G15-N18 PolarHBondContact O-N 3.32Å; G15-N18 VanDerWaalsContact O-N 3.13Å; G15-N18 PolarHBondContact O-ND2 2.91Å; N18-K22 WeakPolarHBondContact O-CG 3.41Å
19	H	98.5	Very high	91.6	Very high	141 Å²	141	80 Å²	80	65%	0.653	43%	0.426	S	S	*	.	H	α-helix	trans	-73.8	-44.4	177.6	-64	-75.2	0	0	0	111.8	W17 F23	W17-H19 PolarHBondContact O-N 2.78Å; W17-H19 VanDerWaalsContact O-N 3.1Å; H19-F23 VanDerWaalsContact O-CD2 3.31Å; H19-F23 WeakPolarHBondContact O-CD2 3.29Å
20	V	98.3	Very high	94.1	Very high	14 Å²	14	84.9 Å²	84.9	9%	0.085	43%	0.432	C	S	.	.	H	α-helix	trans	-67.7	-46.6	179.2	176.6	0	0	0	0	111	W17 K22 F23 L24 L42 F308	W17-V20 HydrophobicContact CE3-CG2 3.99Å; W17-V20 PolarHBondContact O-N 3.42Å; W17-V20 VanDerWaalsContact O-N 3.1Å; V20-K22 PolarHBondContact O-N 3.39Å; V20-K22 VanDerWaalsContact O-N 3.11Å; V20-F23 PolarHBondContact O-N 2.73Å; V20-L24 HydrophobicContact CG1-CD1 3.62Å; V20-L24 HydrophobicContact CG1-CG 4.17Å; V20-L24 PolarHBondContact O-N 3.46Å; V20-L42 HydrophobicContact CG1-CD1 3.94Å; V20-F308 HydrophobicContact CG1-CE2 3.76Å; V20-F308 HydrophobicContact CG1-CZ 4Å
21	K	98.2	Very high	96	Very high	74 Å²	74	82 Å²	82	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-54.4	-34.3	-179.3	-75.2	-177.2	169.1	-152.1	0	114	W17 F23 L24 E25 L42	W17-K21 HydrophobicContact CB-CG 4.33Å; W17-K21 WeakPolarHBondContact O-CB 3.19Å; W17-K21 WeakPolarHBondContact O-CG 3.29Å; W17-K21 PolarHBondContact O-N 2.76Å; K21-F23 PolarHBondContact O-N 3.11Å; K21-L24 PolarHBondContact O-N 3.33Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-E25 HydrophobicContact CB-CG 4.36Å; K21-E25 VanDerWaalsContact CD-OE1 3.28Å; K21-E25 WeakPolarHBondContact CD-OE1 3.49Å; K21-E25 WeakPolarHBondContact CG-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.97Å; K21-E25 WeakPolarHBondContact O-CB 3.18Å; K21-E25 PolarHBondContact O-N 2.88Å; K21-L42 HydrophobicContact CD-CD2 4.39Å; K21-L42 HydrophobicContact CG-CD2 3.88Å
22	K	98.4	Very high	97	Very high	102 Å²	102	81.9 Å²	81.9	44%	0.443	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-27.7	178.2	-73.5	170.3	-174.7	179.5	0	113.3	N18 V20 R26	N18-K22 WeakPolarHBondContact O-CG 3.41Å; V20-K22 PolarHBondContact O-N 3.39Å; V20-K22 VanDerWaalsContact O-N 3.11Å; K22-R26 WeakPolarHBondContact O-CB 3.25Å; K22-R26 WeakPolarHBondContact O-CD 3.14Å
23	F	98.4	Very high	97.5	Very high	94 Å²	94	84.5 Å²	84.5	41%	0.412	43%	0.427	S	S	.	.	H	α-helix	trans	-93	-21.3	178.8	-62	-71.8	0	0	0	113.2	H19 V20 K21 F35 F308 Y315	H19-F23 VanDerWaalsContact O-CD2 3.31Å; H19-F23 WeakPolarHBondContact O-CD2 3.29Å; V20-F23 PolarHBondContact O-N 2.73Å; K21-F23 PolarHBondContact O-N 3.11Å; F23-F35 WeakPolarHBondContact O-CZ 3.27Å; F23-F308 HydrophobicContact CB-CE1 4.21Å; F23-F308 HydrophobicContact CB-CZ 4.37Å; F23-Y315 AromaticContact CD1-CE2 3.69Å; F23-Y315 HydrophobicContact CD1-CE2 3.69Å; F23-Y315 HydrophobicContact CE1-CE2 4.12Å
24	L	98.2	Very high	97.6	Very high	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-97.2	-34.1	-177.2	-58.4	-175.5	0	0	0	112.9	V20 K21 P37 S38 C41 L42 L45 F308 T312	V20-L24 HydrophobicContact CG1-CD1 3.62Å; V20-L24 HydrophobicContact CG1-CG 4.17Å; V20-L24 PolarHBondContact O-N 3.46Å; K21-L24 PolarHBondContact O-N 3.33Å; K21-L24 VanDerWaalsContact O-N 3.16Å; L24-P37 CarbonylContact O-C 3.5Å; L24-P37 VanDerWaalsContact O-CA 3.28Å; L24-P37 WeakPolarHBondContact O-CA 3.39Å; L24-S38 PolarHBondContact O-N 2.82Å; L24-C41 HydrophobicContact CB-CB 4.05Å; L24-C41 HydrophobicContact CD1-CB 4.11Å; L24-C41 HydrophobicContact CD2-CB 4.24Å; L24-C41 HydrophobicContact CG-CB 4.36Å; L24-L42 HydrophobicContact CD1-CB 3.91Å; L24-L42 HydrophobicContact CD1-CD1 4.39Å; L24-L45 HydrophobicContact CD1-CD1 3.95Å; L24-F308 HydrophobicContact CD2-CE1 4.46Å; L24-F308 HydrophobicContact CD2-CE2 4.44Å; L24-F308 HydrophobicContact CD2-CZ 3.76Å; L24-F308 HydrophobicContact CG-CZ 4.18Å; L24-T312 HydrophobicContact CD2-CG2 3.6Å
25	E	98.1	Very high	97.8	Very high	80 Å²	80	75 Å²	75	37%	0.374	39%	0.392	S	S	.	.	S	Bend	trans	-96.3	-1.9	-174.4	-61.3	175.3	-178.6	0	0	112.9	K21 A39	K21-E25 HydrophobicContact CB-CG 4.36Å; K21-E25 VanDerWaalsContact CD-OE1 3.28Å; K21-E25 WeakPolarHBondContact CD-OE1 3.49Å; K21-E25 WeakPolarHBondContact CG-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.97Å; K21-E25 WeakPolarHBondContact O-CB 3.18Å; K21-E25 PolarHBondContact O-N 2.88Å; E25-A39 HydrophobicContact CG-CB 4.34Å
26	R	97.8	Very high	97.8	Very high	158 Å²	158	81 Å²	81	60%	0.596	41%	0.412	S	S	*	.	S	Bend	trans	-129.4	134	-175.6	-53.2	179.3	-175.7	-172.9	-3.6	110.4	K22 F35	K22-R26 WeakPolarHBondContact O-CB 3.25Å; K22-R26 WeakPolarHBondContact O-CD 3.14Å; R26-F35 WeakPolarHBondContact O-CE1 3.15Å
27	S	97.3	Very high	97.9	Very high	97 Å²	97	82.5 Å²	82.5	68%	0.678	43%	0.426	S	S	*	.			trans	-74.1	161.1	169.5	57.7	0	0	0	0	111.8
28	G	97.4	Very high	97.8	Very high	31 Å²	31	83.4 Å²	83.4	32%	0.32	44%	0.436	S	S	.	.			trans	-155.2	166.2	173.6	0	0	0	0	0	111.9	F30 T31	G28-F30 PolarHBondContact O-N 2.97Å; G28-T31 WeakPolarHBondContact O-CG2 3.47Å; G28-T31 PolarHBondContact O-OG1 2.87Å; G28-T31 VanDerWaalsContact O-OG1 3.14Å
29	P	97.9	Very high	97.5	Very high	119 Å²	119	82.3 Å²	82.3	77%	0.773	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.8	-177	29.5	-35.9	0	0	0	114.2
30	F	98.1	Very high	97.3	Very high	157 Å²	157	82.9 Å²	82.9	69%	0.689	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	14	-176.3	-56.5	-61.4	0	0	0	112.8	G28 Y315	G28-F30 PolarHBondContact O-N 2.97Å; F30-Y315 HydrophobicContact CB-CD1 4.12Å; F30-Y315 HydrophobicContact CB-CE1 4.06Å; F30-Y315 VanDerWaalsContact O-CD1 3.29Å; F30-Y315 WeakPolarHBondContact O-CD1 3.47Å
31	T	98.3	Very high	97.2	Very high	38 Å²	38	83.7 Å²	83.7	23%	0.233	45%	0.447	C	S	.	.	S	Bend	trans	-69.2	157	178.2	56.6	0	0	0	0	110.7	G28 F35 A314	G28-T31 WeakPolarHBondContact O-CG2 3.47Å; G28-T31 PolarHBondContact O-OG1 2.87Å; G28-T31 VanDerWaalsContact O-OG1 3.14Å; T31-F35 HydrophobicContact CG2-CD1 3.48Å; T31-F35 VanDerWaalsContact CG2-CD1 3.48Å; T31-F35 HydrophobicContact CG2-CE1 3.92Å; T31-F35 HydrophobicContact CG2-CG 4.17Å; T31-A314 WeakPolarHBondContact CA-O 3.49Å
32	H	98.2	Very high	97.1	Very high	46 Å²	46	80.7 Å²	80.7	21%	0.213	44%	0.435	C	S	.	.			trans	-59.5	149.1	170.3	-166.9	-98.8	0	0	0	109.8	D34 F35 S313	H32-D34 IonicContact CE1-OD2 3.1Å; H32-D34 PolarHBondContact CE1-OD2 3.09Å; H32-D34 PolarHBondContact ND1-N 3.31Å; H32-D34 IonicContact ND1-OD2 3.41Å; H32-D34 PolarHBondContact ND1-OD2 3.06Å; H32-D34 PolarHBondContact O-N 3.01Å; H32-F35 HydrophobicContact CB-CB 4.48Å; H32-F35 WeakPolarHBondContact O-CB 3.45Å; H32-F35 PolarHBondContact O-N 2.79Å; H32-S313 WeakPolarHBondContact CB-O 3.49Å; H32-S313 PolarHBondContact N-O 2.87Å
33	P	97.8	Very high	97	Very high	113 Å²	113	80.6 Å²	80.6	73%	0.734	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.1	176.3	-29.7	37.2	0	0	0	114	F35	P33-F35 VanDerWaalsContact C-N 3.29Å; P33-F35 PolarHBondContact O-N 2.94Å
34	D	96.7	Very high	96.9	Very high	123 Å²	123	79.8 Å²	79.8	66%	0.658	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	10.9	179.8	-51.9	-36.7	0	0	0	113.6	H32	H32-D34 IonicContact CE1-OD2 3.1Å; H32-D34 PolarHBondContact CE1-OD2 3.09Å; H32-D34 PolarHBondContact ND1-N 3.31Å; H32-D34 IonicContact ND1-OD2 3.41Å; H32-D34 PolarHBondContact ND1-OD2 3.06Å; H32-D34 PolarHBondContact O-N 3.01Å
35	F	98.1	Very high	96.8	Very high	18 Å²	18	79.8 Å²	79.8	8%	0.079	43%	0.433	C	S	.	.			trans	-79.1	126.7	179.8	-177	-111.1	0	0	0	112	F23 R26 T31 H32 P33 P37 T312 S313 A314	F23-F35 WeakPolarHBondContact O-CZ 3.27Å; R26-F35 WeakPolarHBondContact O-CE1 3.15Å; T31-F35 HydrophobicContact CG2-CD1 3.48Å; T31-F35 VanDerWaalsContact CG2-CD1 3.48Å; T31-F35 HydrophobicContact CG2-CE1 3.92Å; T31-F35 HydrophobicContact CG2-CG 4.17Å; H32-F35 HydrophobicContact CB-CB 4.48Å; H32-F35 WeakPolarHBondContact O-CB 3.45Å; H32-F35 PolarHBondContact O-N 2.79Å; P33-F35 VanDerWaalsContact C-N 3.29Å; P33-F35 PolarHBondContact O-N 2.94Å; F35-P37 HydrophobicContact CE1-CB 4.09Å; F35-P37 HydrophobicContact CZ-CB 4.42Å; F35-T312 WeakPolarHBondContact CD2-O 3.3Å; F35-S313 WeakPolarHBondContact CB-O 3.41Å; F35-A314 HydrophobicContact CE2-CB 4.26Å
36	E	97	Very high	96.7	Very high	156 Å²	156	76.5 Å²	76.5	73%	0.729	42%	0.417	S	S	*	.			trans	-118.8	121.9	169.5	-64.5	-168.1	165	0	0	110.3	S38	E36-S38 PolarHBondContact O-N 2.87Å
37	P	97	Very high	96.6	Very high	66 Å²	66	73.2 Å²	73.2	43%	0.429	41%	0.412	S	S	.	.			trans	-68.6	118.7	179.7	27.6	-33.8	0	0	0	110.7	L24 F35	L24-P37 CarbonylContact O-C 3.5Å; L24-P37 VanDerWaalsContact O-CA 3.28Å; L24-P37 WeakPolarHBondContact O-CA 3.39Å; F35-P37 HydrophobicContact CE1-CB 4.09Å; F35-P37 HydrophobicContact CZ-CB 4.42Å
38	S	95.9	Very high	96.6	Very high	38 Å²	38	72 Å²	72	27%	0.266	40%	0.4	S	S	.	.			trans	-151.7	144.3	-178.8	-179.4	0	0	0	0	112.5	L24 E36 E40 C41	L24-S38 PolarHBondContact O-N 2.82Å; E36-S38 PolarHBondContact O-N 2.87Å; S38-E40 PolarHBondContact O-N 3.38Å; S38-E40 WeakPolarHBondContact OG-CB 3.28Å; S38-E40 PolarHBondContact OG-N 3.07Å; S38-E40 VanDerWaalsContact OG-N 3.07Å; S38-C41 PolarHBondContact O-N 3.26Å
39	A	91.7	Very high	96.6	Very high	64 Å²	64	70.6 Å²	70.6	53%	0.529	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.4	170.1	0	0	0	0	0	112.1	E25 C41 L42	E25-A39 HydrophobicContact CG-CB 4.34Å; A39-C41 VanDerWaalsContact C-N 3.29Å; A39-C41 PolarHBondContact O-N 2.72Å; A39-L42 PolarHBondContact O-N 3.05Å
40	E	95.1	Very high	96.7	Very high	152 Å²	152	68.6 Å²	68.6	71%	0.71	37%	0.365	S	S	*	.	H	α-helix	trans	-71.3	-24.5	179.6	-60.7	-179.3	175.2	0	0	112.3	S38 L42 Q43 F44	S38-E40 PolarHBondContact O-N 3.38Å; S38-E40 WeakPolarHBondContact OG-CB 3.28Å; S38-E40 PolarHBondContact OG-N 3.07Å; S38-E40 VanDerWaalsContact OG-N 3.07Å; E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.2Å; E40-Q43 WeakPolarHBondContact O-CA 3.32Å; E40-Q43 WeakPolarHBondContact O-CB 3.42Å; E40-Q43 PolarHBondContact O-N 2.76Å; E40-F44 PolarHBondContact O-N 2.81Å
41	C	95.3	Very high	96.7	Very high	31 Å²	31	61.1 Å²	61.1	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-56.5	-40.9	176	-64.4	0	0	0	0	111.7	L24 S38 A39 Q43 F44 L45	L24-C41 HydrophobicContact CB-CB 4.05Å; L24-C41 HydrophobicContact CD1-CB 4.11Å; L24-C41 HydrophobicContact CD2-CB 4.24Å; L24-C41 HydrophobicContact CG-CB 4.36Å; S38-C41 PolarHBondContact O-N 3.26Å; A39-C41 VanDerWaalsContact C-N 3.29Å; A39-C41 PolarHBondContact O-N 2.72Å; C41-Q43 VanDerWaalsContact C-N 3.32Å; C41-Q43 PolarHBondContact O-N 3.03Å; C41-F44 WeakPolarHBondContact O-CB 3.49Å; C41-F44 PolarHBondContact O-N 3.34Å; C41-L45 WeakPolarHBondContact O-CG 3.49Å; C41-L45 PolarHBondContact O-N 2.88Å; C41-L45 VanDerWaalsContact O-N 3.15Å
42	L	96.5	Very high	96.7	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-39.9	176.5	179	60.2	0	0	0	111.2	W17 V20 K21 L24 A39 E40 F44 L45 I46	W17-L42 HydrophobicContact CB-CD1 4.44Å; W17-L42 HydrophobicContact CB-CD2 3.7Å; W17-L42 HydrophobicContact CG-CD1 4.31Å; W17-L42 HydrophobicContact CG-CD2 3.96Å; V20-L42 HydrophobicContact CG1-CD1 3.94Å; K21-L42 HydrophobicContact CD-CD2 4.39Å; K21-L42 HydrophobicContact CG-CD2 3.88Å; L24-L42 HydrophobicContact CD1-CB 3.91Å; L24-L42 HydrophobicContact CD1-CD1 4.39Å; A39-L42 PolarHBondContact O-N 3.05Å; E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.2Å; L42-F44 VanDerWaalsContact C-N 3.32Å; L42-F44 PolarHBondContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 3.37Å; L42-I46 HydrophobicContact CD1-CD1 3.88Å; L42-I46 HydrophobicContact CD1-CG1 4.28Å; L42-I46 HydrophobicContact CD2-CD1 4.47Å; L42-I46 HydrophobicContact CG-CD1 3.82Å; L42-I46 WeakPolarHBondContact O-CB 3.45Å; L42-I46 VanDerWaalsContact O-CG1 3.31Å; L42-I46 WeakPolarHBondContact O-CG1 3.44Å; L42-I46 PolarHBondContact O-N 3.35Å; L42-I46 VanDerWaalsContact O-N 3.12Å
43	Q	95.4	Very high	96.8	Very high	100 Å²	100	57.1 Å²	57.1	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-38.8	178.4	-160	65.1	48.1	0	0	111.1	E40 C41 L45 I46 D47	E40-Q43 WeakPolarHBondContact O-CA 3.32Å; E40-Q43 WeakPolarHBondContact O-CB 3.42Å; E40-Q43 PolarHBondContact O-N 2.76Å; C41-Q43 VanDerWaalsContact C-N 3.32Å; C41-Q43 PolarHBondContact O-N 3.03Å; Q43-L45 PolarHBondContact O-N 3.35Å; Q43-I46 PolarHBondContact O-N 2.91Å; Q43-D47 WeakPolarHBondContact CG-OD2 3.49Å; Q43-D47 PolarHBondContact NE2-OD1 3.24Å; Q43-D47 VanDerWaalsContact NE2-OD1 3.13Å; Q43-D47 PolarHBondContact NE2-OD2 3.39Å; Q43-D47 WeakPolarHBondContact O-CB 3.49Å; Q43-D47 PolarHBondContact O-N 3.06Å
44	F	97	Very high	96.8	Very high	77 Å²	77	51.8 Å²	51.8	34%	0.338	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-45.8	173.1	170	-100.5	0	0	0	112.5	E40 C41 L42 I46 T48 C49	E40-F44 PolarHBondContact O-N 2.81Å; C41-F44 WeakPolarHBondContact O-CB 3.49Å; C41-F44 PolarHBondContact O-N 3.34Å; L42-F44 VanDerWaalsContact C-N 3.32Å; L42-F44 PolarHBondContact O-N 3.1Å; F44-I46 VanDerWaalsContact C-N 3.28Å; F44-I46 PolarHBondContact O-N 2.74Å; F44-T48 HydrophobicContact CD2-CG2 4.02Å; F44-T48 HydrophobicContact CE2-CG2 3.78Å; F44-T48 PolarHBondContact O-N 3.44Å; F44-C49 HydrophobicContact CD1-CB 4.31Å; F44-C49 HydrophobicContact CE1-CB 3.89Å; F44-C49 HydrophobicContact CZ-CB 4.15Å; F44-C49 PolarHBondContact O-N 3.27Å
45	L	96.5	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-39.1	177	-64.9	-177.1	0	0	0	112.7	L24 C41 L42 Q43 C49 G71 F72 F308 A311 T312	L24-L45 HydrophobicContact CD1-CD1 3.95Å; C41-L45 WeakPolarHBondContact O-CG 3.49Å; C41-L45 PolarHBondContact O-N 2.88Å; C41-L45 VanDerWaalsContact O-N 3.15Å; L42-L45 PolarHBondContact O-N 3.37Å; Q43-L45 PolarHBondContact O-N 3.35Å; L45-C49 HydrophobicContact CD2-CB 4.35Å; L45-G71 CarbonylContact C-O 3.46Å; L45-F72 HydrophobicContact CD2-CD1 4.29Å; L45-F72 HydrophobicContact CD2-CE1 3.62Å; L45-F72 HydrophobicContact CD2-CZ 3.98Å; L45-F308 HydrophobicContact CD1-CD2 4.27Å; L45-F308 HydrophobicContact CD1-CE2 3.79Å; L45-A311 HydrophobicContact CD2-CB 3.71Å; L45-T312 HydrophobicContact CD1-CG2 3.7Å; L45-T312 HydrophobicContact CD2-CG2 3.71Å; L45-T312 HydrophobicContact CG-CG2 4.07Å
46	I	95.6	Very high	96.8	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-76.4	-46.3	-176.1	-74.4	175.7	0	0	0	111.3	L42 Q43 F44 G71 R73	L42-I46 HydrophobicContact CD1-CD1 3.88Å; L42-I46 HydrophobicContact CD1-CG1 4.28Å; L42-I46 HydrophobicContact CD2-CD1 4.47Å; L42-I46 HydrophobicContact CG-CD1 3.82Å; L42-I46 WeakPolarHBondContact O-CB 3.45Å; L42-I46 VanDerWaalsContact O-CG1 3.31Å; L42-I46 WeakPolarHBondContact O-CG1 3.44Å; L42-I46 PolarHBondContact O-N 3.35Å; L42-I46 VanDerWaalsContact O-N 3.12Å; Q43-I46 PolarHBondContact O-N 2.91Å; F44-I46 VanDerWaalsContact C-N 3.28Å; F44-I46 PolarHBondContact O-N 2.74Å; I46-G71 VanDerWaalsContact CG1-O 3.24Å; I46-G71 WeakPolarHBondContact CG1-O 3.37Å; I46-R73 VanDerWaalsContact CG2-CD 3.48Å; I46-R73 HydrophobicContact CG2-CG 4.4Å; I46-R73 WeakPolarHBondContact O-CB 3.44Å
47	D	95.4	Very high	96.5	Very high	89 Å²	89	38.8 Å²	38.8	48%	0.476	22%	0.218	S	C	.	.	H	α-helix	trans	-98.1	-31.5	-167.6	-70.3	-10.3	0	0	0	113.7	Q43 N74	Q43-D47 WeakPolarHBondContact CG-OD2 3.49Å; Q43-D47 PolarHBondContact NE2-OD1 3.24Å; Q43-D47 VanDerWaalsContact NE2-OD1 3.13Å; Q43-D47 PolarHBondContact NE2-OD2 3.39Å; Q43-D47 WeakPolarHBondContact O-CB 3.49Å; Q43-D47 PolarHBondContact O-N 3.06Å; D47-N74 VanDerWaalsContact C-ND2 3.27Å; D47-N74 PolarHBondContact O-ND2 3.5Å
48	T	97.6	Very high	96.3	Very high	72 Å²	72	35.7 Å²	35.7	44%	0.442	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-42.2	-165	-52.5	0	0	0	0	112.7	F44 K50 H139	F44-T48 HydrophobicContact CD2-CG2 4.02Å; F44-T48 HydrophobicContact CE2-CG2 3.78Å; F44-T48 PolarHBondContact O-N 3.44Å; T48-K50 PolarHBondContact O-N 3.19Å; T48-H139 PolarHBondContact O-CE1 3.24Å; T48-H139 VanDerWaalsContact O-CE1 3.22Å
49	C	98.4	Very high	96.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	19%	0.187	C	C	.	.			trans	-66.4	110.1	-172.9	-164.9	0	0	0	0	111.5	F44 L45 F72	F44-C49 HydrophobicContact CD1-CB 4.31Å; F44-C49 HydrophobicContact CE1-CB 3.89Å; F44-C49 HydrophobicContact CZ-CB 4.15Å; F44-C49 PolarHBondContact O-N 3.27Å; L45-C49 HydrophobicContact CD2-CB 4.35Å; C49-F72 HydrophobicContact CB-CD1 4.3Å; C49-F72 HydrophobicContact CB-CE1 4.34Å
50	K	98.7	Very high	96.6	Very high	77 Å²	77	31.1 Å²	31.1	34%	0.335	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	178.4	-68.8	-179.1	171	-171.4	0	111.1	T48 N74 Q137 F138 H139	T48-K50 PolarHBondContact O-N 3.19Å; K50-N74 WeakPolarHBondContact CA-O 3.45Å; K50-N74 HydrophobicContact CG-CB 4.13Å; K50-Q137 VanDerWaalsContact CD-O 3.25Å; K50-Q137 WeakPolarHBondContact CD-O 3.45Å; K50-F138 HydrophobicContact CB-CD1 4.03Å; K50-H139 PolarHBondContact N-ND1 3.2Å; K50-H139 PolarHBondContact O-N 2.89Å
51	I	98.8	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.4	178.8	-52.1	-63	0	0	0	109.6	V53 L67 F72 N74 I75 D76 I140 V142 V307	I51-V53 HydrophobicContact CG2-CG2 4.5Å; I51-L67 HydrophobicContact CG2-CD1 3.92Å; I51-F72 HydrophobicContact CD1-CD1 3.93Å; I51-F72 HydrophobicContact CD1-CE1 3.8Å; I51-F72 HydrophobicContact CG1-CB 4.44Å; I51-F72 HydrophobicContact CG1-CD1 3.55Å; I51-F72 HydrophobicContact CG1-CE1 3.95Å; I51-F72 HydrophobicContact CG1-CG 4.08Å; I51-N74 PolarHBondContact N-O 2.96Å; I51-I75 CarbonylContact O-C 3.58Å; I51-I75 WeakPolarHBondContact O-CA 3.3Å; I51-D76 PolarHBondContact O-N 2.84Å; I51-I140 WeakPolarHBondContact CA-O 3.44Å; I51-I140 HydrophobicContact CD1-CB 3.76Å; I51-I140 HydrophobicContact CD1-CD1 4.14Å; I51-I140 HydrophobicContact CD1-CG1 4.25Å; I51-V142 HydrophobicContact CG2-CG2 3.94Å; I51-V307 HydrophobicContact CD1-CG1 3.84Å
52	L	98.9	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.5	167.9	178.5	64.2	0	0	0	110	I54 D76 V78 F134 Y135 F138 I140 I141 V142	L52-I54 HydrophobicContact CD2-CD1 3.93Å; L52-I54 HydrophobicContact CD2-CG1 3.91Å; L52-I54 HydrophobicContact CG-CD1 4.43Å; L52-I54 HydrophobicContact CG-CG1 3.88Å; L52-D76 HydrophobicContact CD1-CB 3.74Å; L52-V78 HydrophobicContact CD1-CG2 3.82Å; L52-F134 HydrophobicContact CD1-CE1 4.16Å; L52-F134 HydrophobicContact CD1-CZ 4.13Å; L52-F134 HydrophobicContact CD2-CE1 3.91Å; L52-Y135 HydrophobicContact CD2-CD1 3.77Å; L52-Y135 HydrophobicContact CD2-CE1 3.66Å; L52-F138 HydrophobicContact CB-CB 4.37Å; L52-F138 HydrophobicContact CB-CD1 3.7Å; L52-F138 HydrophobicContact CB-CD2 3.83Å; L52-F138 HydrophobicContact CB-CE1 3.89Å; L52-F138 HydrophobicContact CB-CE2 4.01Å; L52-F138 HydrophobicContact CB-CG 3.68Å; L52-F138 HydrophobicContact CB-CZ 4.04Å; L52-F138 HydrophobicContact CD1-CE1 4.39Å; L52-F138 HydrophobicContact CD1-CE2 4.18Å; L52-F138 HydrophobicContact CD1-CZ 3.96Å; L52-F138 HydrophobicContact CD2-CD2 4.04Å; L52-F138 HydrophobicContact CD2-CE2 3.93Å; L52-F138 HydrophobicContact CG-CD2 4.44Å; L52-F138 HydrophobicContact CG-CE2 4.26Å; L52-F138 HydrophobicContact CG-CZ 4.39Å; L52-I140 PolarHBondContact N-O 3.31Å; L52-I140 VanDerWaalsContact N-O 3.07Å; L52-I141 HydrophobicContact CB-CG1 4.13Å; L52-I141 HydrophobicContact CB-CG2 4.34Å; L52-I141 HydrophobicContact CD2-CD1 4.08Å; L52-I141 HydrophobicContact CD2-CG1 4.35Å; L52-I141 HydrophobicContact CD2-CG2 4.18Å; L52-I141 HydrophobicContact CG-CG2 4.39Å; L52-I141 CarbonylContact O-C 3.58Å; L52-I141 WeakPolarHBondContact O-CA 3.25Å; L52-V142 PolarHBondContact O-N 3.33Å
53	V	98.9	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124	169	-179	0	0	0	0	109.1	I51 L63 L64 L67 I75 D76 V77 V78 V142	I51-V53 HydrophobicContact CG2-CG2 4.5Å; V53-L63 HydrophobicContact CG1-CB 4.29Å; V53-L63 HydrophobicContact CG1-CD1 4.3Å; V53-L64 HydrophobicContact CB-CD2 4.31Å; V53-L64 HydrophobicContact CG2-CD2 4.1Å; V53-L67 HydrophobicContact CG2-CD1 3.61Å; V53-I75 HydrophobicContact CG2-CG2 3.9Å; V53-D76 PolarHBondContact N-O 3.46Å; V53-V77 HydrophobicContact CB-CG2 4.5Å; V53-V77 VanDerWaalsContact O-CA 3.3Å; V53-V77 WeakPolarHBondContact O-CA 3.47Å; V53-V78 PolarHBondContact O-N 3.23Å; V53-V142 CarbonylContact C-O 3.57Å; V53-V142 WeakPolarHBondContact CA-O 3.38Å
54	I	98.6	Very high	97.2	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.5	179.5	-55.8	-174.4	0	0	0	109.3	L52 I127 Y135 I141 V142 G144 L145 M154	L52-I54 HydrophobicContact CD2-CD1 3.93Å; L52-I54 HydrophobicContact CD2-CG1 3.91Å; L52-I54 HydrophobicContact CG-CD1 4.43Å; L52-I54 HydrophobicContact CG-CG1 3.88Å; I54-I127 HydrophobicContact CD1-CG2 4.28Å; I54-I127 HydrophobicContact CG2-CG2 3.46Å; I54-I127 VanDerWaalsContact CG2-CG2 3.46Å; I54-Y135 HydrophobicContact CD1-CE1 4.48Å; I54-I141 HydrophobicContact CD1-CG2 3.61Å; I54-I141 HydrophobicContact CG1-CG2 4.01Å; I54-V142 PolarHBondContact N-O 3.07Å; I54-G144 PolarHBondContact O-N 3.05Å; I54-L145 HydrophobicContact CG2-CD1 4.21Å; I54-L145 HydrophobicContact CG2-CD2 3.57Å; I54-L145 HydrophobicContact CG2-CG 3.94Å; I54-M154 HydrophobicContact CD1-CE 3.4Å; I54-M154 VanDerWaalsContact CD1-CE 3.4Å; I54-M154 HydrophobicContact CD1-CG 3.82Å; I54-M154 HydrophobicContact CD1-SD 3.46Å; I54-M154 WeakPolarHBondContact CD1-SD 3.41Å
55	G	97.6	Very high	97.3	Very high	7 Å²	7	17 Å²	17	7%	0.072	9%	0.093	C	C	.	.			trans	89.8	130.4	-169.8	0	0	0	0	0	111.3	G60 V78	G55-G60 WeakPolarHBondContact O-CA 3.44Å; G55-V78 PolarHBondContact N-O 2.97Å
56	A	96.4	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.			trans	-110.9	6.1	175.6	0	0	0	0	0	111.9	C61 V77 D79 K103 A107	A56-C61 PolarHBondContact O-SG 3.22Å; A56-V77 HydrophobicContact CB-CG2 4Å; A56-D79 WeakPolarHBondContact CA-OD2 3.49Å; A56-D79 HydrophobicContact CB-CB 3.76Å; A56-D79 PolarHBondContact N-OD2 3.42Å; A56-K103 HydrophobicContact CB-CB 4.05Å; A56-A107 HydrophobicContact CB-CB 4.2Å
57	G	92	Very high	97.6	Very high	17 Å²	17	17.9 Å²	17.9	18%	0.175	10%	0.097	C	C	.	.	S	Bend	trans	-86.4	133.3	174	0	0	0	0	0	112.6	L59 G60	G57-L59 PolarHBondContact O-N 3.33Å; G57-G60 PolarHBondContact O-N 3.02Å
58	G	92.8	Very high	97.7	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.021	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-93.2	168.8	0	0	0	0	0	112.7	G60 C61 E62	G58-G60 VanDerWaalsContact C-N 3.29Å; G58-G60 PolarHBondContact O-N 2.83Å; G58-C61 WeakPolarHBondContact O-CB 3.32Å; G58-C61 PolarHBondContact O-N 3.48Å; G58-E62 PolarHBondContact O-N 3.41Å
59	L	96.1	Very high	97.8	Very high	5 Å²	5	15 Å²	15	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-50.7	-45.2	170.9	-157.3	78.6	0	0	0	112.7	G57 C61 E62 L63 G144 T182 N296 I299 A300	G57-L59 PolarHBondContact O-N 3.33Å; L59-C61 VanDerWaalsContact C-N 3.34Å; L59-C61 PolarHBondContact O-N 3.08Å; L59-E62 PolarHBondContact O-N 3.32Å; L59-L63 HydrophobicContact CD2-CD1 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.09Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 2.9Å; L59-G144 VanDerWaalsContact CD2-CA 3.44Å; L59-T182 HydrophobicContact CD1-CG2 4.22Å; L59-N296 WeakPolarHBondContact CD1-O 2.97Å; L59-N296 PolarHBondContact N-OD1 2.86Å; L59-I299 HydrophobicContact CD1-CB 3.76Å; L59-I299 HydrophobicContact CD1-CG2 3.71Å; L59-I299 HydrophobicContact CD2-CG2 4.39Å; L59-A300 HydrophobicContact CD1-CB 3.76Å; L59-A300 HydrophobicContact CG-CB 4.21Å
60	G	98.1	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-40.6	179	0	0	0	0	0	113.8	G55 G57 G58 L63 L64	G55-G60 WeakPolarHBondContact O-CA 3.44Å; G57-G60 PolarHBondContact O-N 3.02Å; G58-G60 VanDerWaalsContact C-N 3.29Å; G58-G60 PolarHBondContact O-N 2.83Å; G60-L63 PolarHBondContact O-N 3.22Å; G60-L64 VanDerWaalsContact O-CG 3.32Å; G60-L64 WeakPolarHBondContact O-CG 3.23Å; G60-L64 PolarHBondContact O-N 3.04Å
61	C	98.5	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.3	-45.3	175.3	-75.8	0	0	0	0	112	A56 G58 L59 K65 F92 L93	A56-C61 PolarHBondContact O-SG 3.22Å; G58-C61 WeakPolarHBondContact O-CB 3.32Å; G58-C61 PolarHBondContact O-N 3.48Å; L59-C61 VanDerWaalsContact C-N 3.34Å; L59-C61 PolarHBondContact O-N 3.08Å; C61-K65 PolarHBondContact O-N 3.08Å; C61-F92 HydrophobicContact CB-CD1 4.37Å; C61-F92 HydrophobicContact CB-CE1 3.98Å; C61-F92 HydrophobicContact CB-CZ 4.41Å; C61-L93 HydrophobicContact CB-CD1 3.87Å; C61-L93 HydrophobicContact CB-CG 3.79Å
62	E	98.8	Very high	97.7	Very high	19 Å²	19	12.8 Å²	12.8	9%	0.089	7%	0.073	C	C	.	.	H	α-helix	trans	-65.8	-45.5	177.9	-72.1	-71.3	171.9	0	0	111.4	G58 L59 L64 K65 D66 F92 A297 A300	G58-E62 PolarHBondContact O-N 3.41Å; L59-E62 PolarHBondContact O-N 3.32Å; E62-L64 PolarHBondContact O-N 3.19Å; E62-K65 WeakPolarHBondContact O-CB 3.46Å; E62-K65 PolarHBondContact O-N 3.25Å; E62-K65 WeakPolarHBondContact OE2-CE 3.32Å; E62-K65 IonicContact OE2-NZ 3.67Å; E62-K65 PolarHBondContact OE2-NZ 3.36Å; E62-D66 PolarHBondContact O-N 3.06Å; E62-F92 VanDerWaalsContact CD-CE1 3.46Å; E62-F92 HydrophobicContact CG-CE1 3.89Å; E62-F92 WeakPolarHBondContact OE1-CE1 3.43Å; E62-A297 HydrophobicContact CG-CB 4.34Å; E62-A300 HydrophobicContact CB-CB 3.25Å; E62-A300 HydrophobicContact CG-CB 4.27Å
63	L	98.8	Very high	97.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.1	-46.9	177.5	-76.3	171.1	0	0	0	112.2	V53 L59 G60 K65 D66 L67 V142 A300 C303 A304	V53-L63 HydrophobicContact CG1-CB 4.29Å; V53-L63 HydrophobicContact CG1-CD1 4.3Å; L59-L63 HydrophobicContact CD2-CD1 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.09Å; L59-L63 HydrophobicContact CG-CG 4.36Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 2.9Å; G60-L63 PolarHBondContact O-N 3.22Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.07Å; L63-D66 PolarHBondContact O-N 3.24Å; L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3.11Å; L63-V142 HydrophobicContact CD1-CG1 3.7Å; L63-V142 HydrophobicContact CD2-CG1 3.77Å; L63-V142 HydrophobicContact CG-CG1 4.36Å; L63-A300 HydrophobicContact CD2-CB 4.19Å; L63-A300 HydrophobicContact CG-CB 4.08Å; L63-C303 HydrophobicContact CD2-CB 3.76Å; L63-A304 HydrophobicContact CD2-CB 4.31Å
64	L	98.8	Very high	97.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-42.6	178.1	-74.2	171.5	0	0	0	112.1	V53 G60 E62 A68 I75 V77 L93 A107 I111 V120	V53-L64 HydrophobicContact CB-CD2 4.31Å; V53-L64 HydrophobicContact CG2-CD2 4.1Å; G60-L64 VanDerWaalsContact O-CG 3.32Å; G60-L64 WeakPolarHBondContact O-CG 3.23Å; G60-L64 PolarHBondContact O-N 3.04Å; E62-L64 PolarHBondContact O-N 3.19Å; L64-A68 WeakPolarHBondContact O-CB 3.35Å; L64-A68 PolarHBondContact O-N 2.89Å; L64-A68 VanDerWaalsContact O-N 3.13Å; L64-I75 HydrophobicContact CD2-CG2 3.79Å; L64-V77 HydrophobicContact CD1-CG2 4.24Å; L64-V77 HydrophobicContact CD2-CB 4.29Å; L64-L93 HydrophobicContact CD1-CD1 4.02Å; L64-A107 HydrophobicContact CD1-CB 3.78Å; L64-I111 HydrophobicContact CB-CD1 4.08Å; L64-I111 HydrophobicContact CB-CG1 3.98Å; L64-V120 HydrophobicContact CD2-CG1 3.98Å; L64-V120 HydrophobicContact CD2-CG2 4.43Å
65	K	98.8	Very high	97.6	Very high	57 Å²	57	16.1 Å²	16.1	25%	0.248	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-51.9	173.8	167.1	-170.7	58	76.8	0	110.8	C61 E62 L63 A68 L69 F92 I111	C61-K65 PolarHBondContact O-N 3.08Å; E62-K65 WeakPolarHBondContact O-CB 3.46Å; E62-K65 PolarHBondContact O-N 3.25Å; E62-K65 WeakPolarHBondContact OE2-CE 3.32Å; E62-K65 IonicContact OE2-NZ 3.67Å; E62-K65 PolarHBondContact OE2-NZ 3.36Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.07Å; K65-A68 PolarHBondContact O-N 2.83Å; K65-L69 HydrophobicContact CG-CD1 3.8Å; K65-L69 WeakPolarHBondContact O-CB 3.31Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.31Å; K65-F92 HydrophobicContact CB-CZ 4.06Å; K65-F92 HydrophobicContact CD-CE2 4.37Å; K65-F92 HydrophobicContact CD-CZ 4.01Å; K65-I111 HydrophobicContact CB-CD1 4.48Å
66	D	98.8	Very high	97.7	Very high	28 Å²	28	16.8 Å²	16.8	15%	0.15	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-44.7	-172.6	-72.4	-23.9	0	0	0	111.9	E62 L63 L69 S70 A304	E62-D66 PolarHBondContact O-N 3.06Å; L63-D66 PolarHBondContact O-N 3.24Å; D66-L69 PolarHBondContact O-N 2.85Å; D66-S70 VanDerWaalsContact O-CB 3.31Å; D66-S70 WeakPolarHBondContact O-CB 3.42Å; D66-S70 PolarHBondContact O-N 3.08Å; D66-S70 VanDerWaalsContact O-N 3.08Å; D66-S70 PolarHBondContact O-OG 3.3Å; D66-A304 HydrophobicContact CB-CB 3.44Å; D66-A304 VanDerWaalsContact CB-CB 3.44Å
67	L	98.8	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-47.9	177.6	-66.4	169.9	0	0	0	111.2	I51 V53 L63 L69 S70 G71 F72 I75 A304 V307	I51-L67 HydrophobicContact CG2-CD1 3.92Å; V53-L67 HydrophobicContact CG2-CD1 3.61Å; L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3.11Å; L67-L69 VanDerWaalsContact C-N 3.27Å; L67-L69 PolarHBondContact O-N 2.85Å; L67-S70 PolarHBondContact O-N 3.33Å; L67-G71 PolarHBondContact O-N 3.31Å; L67-F72 HydrophobicContact CB-CB 4.41Å; L67-F72 HydrophobicContact CB-CD2 4.16Å; L67-F72 HydrophobicContact CD2-CD2 3.88Å; L67-F72 HydrophobicContact CD2-CE2 3.99Å; L67-F72 WeakPolarHBondContact O-CD2 3.19Å; L67-F72 PolarHBondContact O-N 2.9Å; L67-I75 HydrophobicContact CB-CD1 3.94Å; L67-A304 HydrophobicContact CD2-CB 4.24Å; L67-A304 HydrophobicContact CG-CB 4.46Å; L67-V307 HydrophobicContact CD2-CB 3.8Å; L67-V307 HydrophobicContact CD2-CG1 3.53Å; L67-V307 HydrophobicContact CD2-CG2 4.25Å
68	A	98.5	Very high	98.1	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.017	8%	0.082	C	C	.	.	H	α-helix	trans	-63	-32.8	179.9	0	0	0	0	0	112.9	W17 L64 K65 S70 I75 I111 I115 C118	W17-A68 WeakPolarHBondContact CH2-O 3.4Å; L64-A68 WeakPolarHBondContact O-CB 3.35Å; L64-A68 PolarHBondContact O-N 2.89Å; L64-A68 VanDerWaalsContact O-N 3.13Å; K65-A68 PolarHBondContact O-N 2.83Å; A68-S70 VanDerWaalsContact C-N 3.32Å; A68-I75 HydrophobicContact CB-CD1 4.39Å; A68-I111 HydrophobicContact CB-CG2 4.05Å; A68-I115 HydrophobicContact CB-CD1 3.4Å; A68-I115 VanDerWaalsContact CB-CD1 3.4Å; A68-I115 HydrophobicContact CB-CG2 4.27Å; A68-C118 HydrophobicContact CB-CB 4.46Å; A68-C118 VanDerWaalsContact CB-SG 3.58Å
69	L	98.6	Very high	98.4	Very high	100 Å²	100	16.6 Å²	16.6	52%	0.524	9%	0.085	S	C	.	.	H	α-helix	trans	-82.9	-5.6	174	-67.3	177	0	0	0	113.9	W17 K65 D66 L67 I115	W17-L69 WeakPolarHBondContact CZ3-O 3.3Å; K65-L69 HydrophobicContact CG-CD1 3.8Å; K65-L69 WeakPolarHBondContact O-CB 3.31Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.31Å; D66-L69 PolarHBondContact O-N 2.85Å; L67-L69 VanDerWaalsContact C-N 3.27Å; L67-L69 PolarHBondContact O-N 2.85Å; L69-I115 HydrophobicContact CD2-CD1 3.97Å; L69-I115 HydrophobicContact CD2-CG1 4.36Å; L69-I115 HydrophobicContact CG-CD1 3.95Å
70	S	98.5	Very high	98.4	Very high	30 Å²	30	20.9 Å²	20.9	21%	0.21	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	2.9	177.6	-60.1	0	0	0	0	113.7	D66 L67 A68	D66-S70 VanDerWaalsContact O-CB 3.31Å; D66-S70 WeakPolarHBondContact O-CB 3.42Å; D66-S70 PolarHBondContact O-N 3.08Å; D66-S70 VanDerWaalsContact O-N 3.08Å; D66-S70 PolarHBondContact O-OG 3.3Å; L67-S70 PolarHBondContact O-N 3.33Å; A68-S70 VanDerWaalsContact C-N 3.32Å
71	G	97.1	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.9	-7.9	175.4	0	0	0	0	0	114.5	L45 I46 L67	L45-G71 CarbonylContact C-O 3.46Å; I46-G71 VanDerWaalsContact CG1-O 3.24Å; I46-G71 WeakPolarHBondContact CG1-O 3.37Å; L67-G71 PolarHBondContact O-N 3.31Å
72	F	98.5	Very high	98.3	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.141	C	C	.	.			trans	-75.1	129.3	177.1	-60.5	-80.9	0	0	0	110.7	L45 C49 I51 L67 I75 V307 F308 A311	L45-F72 HydrophobicContact CD2-CD1 4.29Å; L45-F72 HydrophobicContact CD2-CE1 3.62Å; L45-F72 HydrophobicContact CD2-CZ 3.98Å; C49-F72 HydrophobicContact CB-CD1 4.3Å; C49-F72 HydrophobicContact CB-CE1 4.34Å; I51-F72 HydrophobicContact CD1-CD1 3.93Å; I51-F72 HydrophobicContact CD1-CE1 3.8Å; I51-F72 HydrophobicContact CG1-CB 4.44Å; I51-F72 HydrophobicContact CG1-CD1 3.55Å; I51-F72 HydrophobicContact CG1-CE1 3.95Å; I51-F72 HydrophobicContact CG1-CG 4.08Å; L67-F72 HydrophobicContact CB-CB 4.41Å; L67-F72 HydrophobicContact CB-CD2 4.16Å; L67-F72 HydrophobicContact CD2-CD2 3.88Å; L67-F72 HydrophobicContact CD2-CE2 3.99Å; L67-F72 WeakPolarHBondContact O-CD2 3.19Å; L67-F72 PolarHBondContact O-N 2.9Å; F72-I75 HydrophobicContact CB-CD1 4.14Å; F72-I75 HydrophobicContact CB-CG1 4.27Å; F72-V307 HydrophobicContact CE1-CG1 4.42Å; F72-V307 HydrophobicContact CE2-CG1 4.16Å; F72-V307 HydrophobicContact CZ-CG1 3.88Å; F72-F308 HydrophobicContact CE2-CB 4.43Å; F72-F308 HydrophobicContact CE2-CD2 4.32Å; F72-A311 HydrophobicContact CE1-CB 3.68Å; F72-A311 HydrophobicContact CZ-CB 3.69Å
73	R	97.4	Very high	98.2	Very high	39 Å²	39	26.2 Å²	26.2	15%	0.147	14%	0.137	C	C	.	.			trans	-115.8	-32.9	175.9	-66.3	-179.7	169.5	-170.7	-6.4	114	C11 E12 I46 I75 G117 R119	C11-R73 PolarHBondContact SG-NH2 3.03Å; E12-R73 IonicContact OE1-CZ 3.09Å; E12-R73 IonicContact OE1-NH2 2.69Å; E12-R73 PolarHBondContact OE1-NH2 3.3Å; I46-R73 VanDerWaalsContact CG2-CD 3.48Å; I46-R73 HydrophobicContact CG2-CG 4.4Å; I46-R73 WeakPolarHBondContact O-CB 3.44Å; R73-I75 PolarHBondContact O-N 3.44Å; R73-G117 WeakPolarHBondContact CD-O 3.4Å; R73-G117 WeakPolarHBondContact CG-O 3.46Å; R73-G117 PolarHBondContact NE-O 3.43Å; R73-R119 CarbonylContact O-C 3.47Å; R73-R119 VanDerWaalsContact O-CA 3.3Å; R73-R119 WeakPolarHBondContact O-CA 3.32Å; R73-R119 WeakPolarHBondContact O-CB 3.5Å; R73-R119 PolarHBondContact O-N 2.96Å
74	N	98.4	Very high	97.9	Very high	32 Å²	32	28.9 Å²	28.9	17%	0.171	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	87.7	-180	-60.9	-37.7	0	0	0	109.1	D47 K50 I51	D47-N74 VanDerWaalsContact C-ND2 3.27Å; D47-N74 PolarHBondContact O-ND2 3.5Å; K50-N74 WeakPolarHBondContact CA-O 3.45Å; K50-N74 HydrophobicContact CG-CB 4.13Å; I51-N74 PolarHBondContact N-O 2.96Å
75	I	98.9	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.1	-176.6	-53.5	174.5	0	0	0	108.6	I51 V53 L64 L67 A68 F72 R73 R119 V120 V121	I51-I75 CarbonylContact O-C 3.58Å; I51-I75 WeakPolarHBondContact O-CA 3.3Å; V53-I75 HydrophobicContact CG2-CG2 3.9Å; L64-I75 HydrophobicContact CD2-CG2 3.79Å; L67-I75 HydrophobicContact CB-CD1 3.94Å; A68-I75 HydrophobicContact CB-CD1 4.39Å; F72-I75 HydrophobicContact CB-CD1 4.14Å; F72-I75 HydrophobicContact CB-CG1 4.27Å; R73-I75 PolarHBondContact O-N 3.44Å; I75-R119 PolarHBondContact N-O 3.41Å; I75-V120 HydrophobicContact CB-CG2 4.31Å; I75-V120 CarbonylContact O-C 3.55Å; I75-V120 WeakPolarHBondContact O-CA 3.37Å; I75-V121 PolarHBondContact O-N 3.14Å
76	D	98.9	Very high	97.2	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.112	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	144	168	-74.8	47.7	0	0	0	108.5	I51 L52 V53 V121 H123 F138	I51-D76 PolarHBondContact O-N 2.84Å; L52-D76 HydrophobicContact CD1-CB 3.74Å; V53-D76 PolarHBondContact N-O 3.46Å; D76-V121 CarbonylContact C-O 3.51Å; D76-V121 WeakPolarHBondContact CA-O 3.29Å; D76-H123 IonicContact OD2-CD2 3.99Å; D76-H123 IonicContact OD2-CE1 2.75Å; D76-H123 IonicContact OD2-NE2 3.12Å; D76-H123 PolarHBondContact OD2-NE2 3.42Å; D76-F138 HydrophobicContact CB-CE1 3.6Å; D76-F138 HydrophobicContact CB-CZ 3.65Å
77	V	98.8	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.6	175.1	62.5	0	0	0	0	111	V53 A56 L64 A104 A108 V120 V121 P122 H123	V53-V77 HydrophobicContact CB-CG2 4.5Å; V53-V77 VanDerWaalsContact O-CA 3.3Å; V53-V77 WeakPolarHBondContact O-CA 3.47Å; A56-V77 HydrophobicContact CB-CG2 4Å; L64-V77 HydrophobicContact CD1-CG2 4.24Å; L64-V77 HydrophobicContact CD2-CB 4.29Å; V77-A104 HydrophobicContact CG1-CB 4.37Å; V77-A108 HydrophobicContact CG1-CB 4.39Å; V77-V120 HydrophobicContact CB-CG1 4.31Å; V77-V120 HydrophobicContact CG1-CG1 3.73Å; V77-V121 PolarHBondContact N-O 2.87Å; V77-P122 HydrophobicContact CG1-CB 4.26Å; V77-P122 CarbonylContact O-C 3.59Å; V77-H123 PolarHBondContact O-N 3Å
78	V	98.8	Very high	96.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.8	176.4	177.1	0	0	0	0	109.2	L52 V53 G55 H123 K125 I127 L130 F134	L52-V78 HydrophobicContact CD1-CG2 3.82Å; V53-V78 PolarHBondContact O-N 3.23Å; G55-V78 PolarHBondContact N-O 2.97Å; V78-H123 WeakPolarHBondContact CA-O 3.3Å; V78-H123 HydrophobicContact CB-CB 4.38Å; V78-H123 HydrophobicContact CG2-CB 3.74Å; V78-K125 WeakPolarHBondContact CG1-O 3.4Å; V78-I127 HydrophobicContact CG1-CG2 4.02Å; V78-L130 HydrophobicContact CG1-CD1 4.06Å; V78-L130 HydrophobicContact CG2-CD1 3.71Å; V78-F134 HydrophobicContact CG2-CE1 4.32Å; V78-F134 HydrophobicContact CG2-CZ 4.21Å
79	D	98.4	Very high	96.4	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.6	172.2	-166.4	-65.5	0	0	0	109	A56 D81 K103 A104 H123 F124 K125	A56-D79 WeakPolarHBondContact CA-OD2 3.49Å; A56-D79 HydrophobicContact CB-CB 3.76Å; A56-D79 PolarHBondContact N-OD2 3.42Å; D79-D81 WeakPolarHBondContact OD1-CA 3.45Å; D79-D81 VanDerWaalsContact OD1-CB 3.27Å; D79-D81 WeakPolarHBondContact OD1-CB 3.19Å; D79-D81 PolarHBondContact OD1-N 3.35Å; D79-K103 HydrophobicContact CB-CB 4.39Å; D79-A104 HydrophobicContact CB-CB 4.12Å; D79-H123 PolarHBondContact N-O 2.78Å; D79-H123 VanDerWaalsContact N-O 3.17Å; D79-F124 WeakPolarHBondContact O-CA 3.14Å; D79-F124 WeakPolarHBondContact O-CD2 3.31Å; D79-K125 CarbonylContact C-O 3.59Å; D79-K125 PolarHBondContact O-N 3.03Å
80	M	96.5	Very high	96.2	Very high	95 Å²	95	37.7 Å²	37.7	47%	0.468	21%	0.206	S	C	.	.			trans	-97.8	-4.7	-177.3	70.5	176.6	-176.9	0	0	113.6	F124 K126	M80-F124 VanDerWaalsContact C-CE2 3.47Å; M80-F124 WeakPolarHBondContact O-CE2 3.26Å; M80-K126 HydrophobicContact CB-CG 3.81Å; M80-K126 HydrophobicContact CG-CG 4.35Å; M80-K126 HydrophobicContact SD-CB 4.37Å; M80-K126 HydrophobicContact SD-CD 3.85Å; M80-K126 HydrophobicContact SD-CG 3.64Å
81	D	96.3	Very high	96.1	Very high	55 Å²	55	36.6 Å²	36.6	29%	0.294	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-95	156.9	-172.9	-62.6	-19.4	0	0	0	112.1	D79 K103	D79-D81 WeakPolarHBondContact OD1-CA 3.45Å; D79-D81 VanDerWaalsContact OD1-CB 3.27Å; D79-D81 WeakPolarHBondContact OD1-CB 3.19Å; D79-D81 PolarHBondContact OD1-N 3.35Å; D81-K103 HydrophobicContact CB-CD 3.83Å; D81-K103 HydrophobicContact CB-CG 4.35Å; D81-K103 VanDerWaalsContact CB-NZ 3.28Å; D81-K103 PolarHBondContact O-N 3.37Å; D81-K103 IonicContact OD2-NZ 2.72Å; D81-K103 PolarHBondContact OD2-NZ 2.97Å
82	T	97.1	Very high	96.2	Very high	72 Å²	72	39.8 Å²	39.8	44%	0.442	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-95.7	157.7	164.4	53.9	0	0	0	0	111	D84 R101 K103 F124	T82-D84 PolarHBondContact O-N 3.17Å; T82-R101 CarbonylContact C-O 3.02Å; T82-R101 WeakPolarHBondContact CA-O 3.43Å; T82-K103 WeakPolarHBondContact O-CE 3.45Å; T82-F124 HydrophobicContact CG2-CE2 4.41Å; T82-F124 HydrophobicContact CG2-CZ 4.08Å
83	I	97.3	Very high	96.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-72.1	127.2	179.7	-63.2	162.3	0	0	0	110.1	L88 F94 D98 V99 G100 R101 K103 V106	I83-L88 HydrophobicContact CG2-CD2 4.43Å; I83-F94 HydrophobicContact CD1-CB 4.09Å; I83-F94 HydrophobicContact CD1-CD1 3.52Å; I83-F94 HydrophobicContact CD1-CD2 4.34Å; I83-F94 HydrophobicContact CD1-CE1 4.03Å; I83-F94 HydrophobicContact CD1-CG 3.72Å; I83-F94 HydrophobicContact CG1-CB 4.41Å; I83-F94 HydrophobicContact CG1-CD1 4.02Å; I83-F94 HydrophobicContact CG1-CD2 3.98Å; I83-F94 HydrophobicContact CG1-CE1 4.31Å; I83-F94 HydrophobicContact CG1-CE2 4.28Å; I83-F94 HydrophobicContact CG1-CG 3.86Å; I83-F94 HydrophobicContact CG1-CZ 4.45Å; I83-F94 HydrophobicContact CG2-CB 4.01Å; I83-F94 HydrophobicContact CG2-CD2 4.34Å; I83-F94 HydrophobicContact CG2-CG 4.25Å; I83-D98 HydrophobicContact CD1-CB 3.71Å; I83-D98 WeakPolarHBondContact CD1-O 3.4Å; I83-V99 HydrophobicContact CG2-CG2 4.39Å; I83-G100 PolarHBondContact O-N 3.42Å; I83-R101 HydrophobicContact CD1-CB 4.45Å; I83-R101 WeakPolarHBondContact CG1-O 3.36Å; I83-R101 PolarHBondContact N-O 3Å; I83-K103 HydrophobicContact CG1-CB 4.46Å; I83-K103 HydrophobicContact CG1-CG 3.73Å; I83-V106 HydrophobicContact CD1-CB 3.76Å; I83-V106 HydrophobicContact CD1-CG1 4Å; I83-V106 HydrophobicContact CD1-CG2 3.64Å
84	D	92.8	Very high	96.2	Very high	57 Å²	57	38.1 Å²	38.1	31%	0.305	21%	0.205	S	C	.	.			trans	-109.2	156	172.5	179.5	-105.5	0	0	0	111.9	T82 S86 N87	T82-D84 PolarHBondContact O-N 3.17Å; D84-S86 PolarHBondContact O-N 3.4Å; D84-S86 WeakPolarHBondContact OD1-CB 3.35Å; D84-S86 PolarHBondContact OD1-N 2.9Å; D84-S86 PolarHBondContact OD1-OG 3.47Å; D84-N87 PolarHBondContact N-OD1 2.88Å; D84-N87 WeakPolarHBondContact O-CB 3.25Å; D84-N87 PolarHBondContact O-N 3.49Å
85	V	91.9	Very high	96.2	Very high	97 Å²	97	41.8 Å²	41.8	59%	0.588	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-57.9	-36.9	178.5	178.8	0	0	0	0	111.7	N87 L88 V99	V85-N87 PolarHBondContact O-N 3.41Å; V85-N87 VanDerWaalsContact O-N 3.11Å; V85-L88 PolarHBondContact O-N 3Å; V85-V99 HydrophobicContact CG2-CG1 4.04Å; V85-V99 HydrophobicContact CG2-CG2 4.03Å
86	S	89.9	Confident	96.1	Very high	60 Å²	60	46.4 Å²	46.4	42%	0.42	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-65.2	-12.1	178.1	70.6	0	0	0	0	113.8	D84 N89 R90	D84-S86 PolarHBondContact O-N 3.4Å; D84-S86 WeakPolarHBondContact OD1-CB 3.35Å; D84-S86 PolarHBondContact OD1-N 2.9Å; D84-S86 PolarHBondContact OD1-OG 3.47Å; S86-N89 PolarHBondContact O-OD1 3.21Å; S86-N89 VanDerWaalsContact O-OD1 3.13Å; S86-R90 PolarHBondContact O-NH1 3.06Å
87	N	94.1	Very high	96.1	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.064	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-79.4	-28.3	178.5	-61	169.6	0	0	0	112	D84 V85 N89 R90 Q91 K103	D84-N87 PolarHBondContact N-OD1 2.88Å; D84-N87 WeakPolarHBondContact O-CB 3.25Å; D84-N87 PolarHBondContact O-N 3.49Å; V85-N87 PolarHBondContact O-N 3.41Å; V85-N87 VanDerWaalsContact O-N 3.11Å; N87-N89 PolarHBondContact O-N 3.18Å; N87-R90 PolarHBondContact O-N 3.43Å; N87-R90 VanDerWaalsContact O-N 3.15Å; N87-Q91 HydrophobicContact CB-CB 4.3Å; N87-Q91 HydrophobicContact CB-CG 4.04Å; N87-Q91 WeakPolarHBondContact O-CB 3.38Å; N87-Q91 VanDerWaalsContact O-CG 3.3Å; N87-Q91 WeakPolarHBondContact O-CG 3.46Å; N87-Q91 PolarHBondContact O-N 3.39Å; N87-K103 VanDerWaalsContact OD1-CE 3.25Å; N87-K103 WeakPolarHBondContact OD1-CE 3.37Å
88	L	95.5	Very high	96	Very high	49 Å²	49	54.1 Å²	54.1	26%	0.257	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.8	-168	-56.9	-178.5	0	0	0	114.3	I83 V85 R90 F94 V99	I83-L88 HydrophobicContact CG2-CD2 4.43Å; V85-L88 PolarHBondContact O-N 3Å; L88-R90 VanDerWaalsContact C-N 3.27Å; L88-R90 PolarHBondContact O-N 3.44Å; L88-F94 HydrophobicContact CD2-CB 3.86Å; L88-V99 HydrophobicContact CD1-CG2 4.39Å
89	N	90.8	Very high	96	Very high	100 Å²	100	56.9 Å²	56.9	54%	0.535	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.2	176.9	79.8	-43.1	0	0	0	113.7	S86 N87 A291	S86-N89 PolarHBondContact O-OD1 3.21Å; S86-N89 VanDerWaalsContact O-OD1 3.13Å; N87-N89 PolarHBondContact O-N 3.18Å; N89-A291 PolarHBondContact ND2-O 3.49Å
90	R	93.6	Very high	95.9	Very high	54 Å²	54	58.7 Å²	58.7	20%	0.204	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-19.2	-173.8	69.9	-168.5	176.6	-79.6	6.7	114.8	S86 N87 L88 F92 A291 A293	S86-R90 PolarHBondContact O-NH1 3.06Å; N87-R90 PolarHBondContact O-N 3.43Å; N87-R90 VanDerWaalsContact O-N 3.15Å; L88-R90 VanDerWaalsContact C-N 3.27Å; L88-R90 PolarHBondContact O-N 3.44Å; R90-F92 PolarHBondContact O-N 2.97Å; R90-A291 VanDerWaalsContact NE-CB 3.34Å; R90-A293 HydrophobicContact CB-CB 4.21Å
91	Q	97.2	Very high	96	Very high	7 Å²	7	58.9 Å²	58.9	3%	0.033	32%	0.316	C	S	.	.			trans	-98.2	74.8	-176.3	-52	-171	2.5	0	0	109.5	N87 L93 F94	N87-Q91 HydrophobicContact CB-CB 4.3Å; N87-Q91 HydrophobicContact CB-CG 4.04Å; N87-Q91 WeakPolarHBondContact O-CB 3.38Å; N87-Q91 VanDerWaalsContact O-CG 3.3Å; N87-Q91 WeakPolarHBondContact O-CG 3.46Å; N87-Q91 PolarHBondContact O-N 3.39Å; Q91-L93 PolarHBondContact O-N 3.22Å; Q91-F94 HydrophobicContact CB-CD2 3.5Å; Q91-F94 HydrophobicContact CB-CE2 3.78Å; Q91-F94 PolarHBondContact O-N 2.61Å
92	F	98.2	Very high	96.1	Very high	66 Å²	66	57.6 Å²	57.6	29%	0.289	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-3.6	-166.1	69	-90.7	0	0	0	115.2	C61 E62 K65 R90 F94 R95	C61-F92 HydrophobicContact CB-CD1 4.37Å; C61-F92 HydrophobicContact CB-CE1 3.98Å; C61-F92 HydrophobicContact CB-CZ 4.41Å; E62-F92 VanDerWaalsContact CD-CE1 3.46Å; E62-F92 HydrophobicContact CG-CE1 3.89Å; E62-F92 WeakPolarHBondContact OE1-CE1 3.43Å; K65-F92 HydrophobicContact CB-CZ 4.06Å; K65-F92 HydrophobicContact CD-CE2 4.37Å; K65-F92 HydrophobicContact CD-CZ 4.01Å; R90-F92 PolarHBondContact O-N 2.97Å; F92-F94 VanDerWaalsContact C-N 3.29Å; F92-R95 PolarHBondContact O-NH1 2.9Å; F92-R95 PolarHBondContact O-NH2 3.42Å
93	L	98.4	Very high	96.1	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.1	170.4	-57.9	-175.7	0	0	0	111.9	C61 L64 Q91 A107 F110 I111	C61-L93 HydrophobicContact CB-CD1 3.87Å; C61-L93 HydrophobicContact CB-CG 3.79Å; L64-L93 HydrophobicContact CD1-CD1 4.02Å; Q91-L93 PolarHBondContact O-N 3.22Å; L93-A107 HydrophobicContact CD1-CB 3.84Å; L93-F110 HydrophobicContact CB-CB 4.37Å; L93-F110 HydrophobicContact CB-CG 4.35Å; L93-F110 HydrophobicContact CD2-CB 4.48Å; L93-F110 HydrophobicContact CD2-CD1 3.42Å; L93-F110 VanDerWaalsContact CD2-CD1 3.42Å; L93-F110 HydrophobicContact CD2-CE1 3.79Å; L93-F110 HydrophobicContact CD2-CG 4.05Å; L93-F110 VanDerWaalsContact O-CD2 3.32Å; L93-F110 WeakPolarHBondContact O-CD2 3.43Å; L93-I111 HydrophobicContact CD1-CD1 4.25Å; L93-I111 HydrophobicContact CD1-CG1 4.07Å; L93-I111 HydrophobicContact CD2-CD1 3.83Å; L93-I111 HydrophobicContact CD2-CG1 4.28Å
94	F	98.5	Very high	96.2	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.018	29%	0.291	C	S	.	.			trans	-100.3	149.6	-174.2	-48.7	-38.5	0	0	0	111.9	I83 L88 Q91 F92 K103 V106 A107	I83-F94 HydrophobicContact CD1-CB 4.09Å; I83-F94 HydrophobicContact CD1-CD1 3.52Å; I83-F94 HydrophobicContact CD1-CD2 4.34Å; I83-F94 HydrophobicContact CD1-CE1 4.03Å; I83-F94 HydrophobicContact CD1-CG 3.72Å; I83-F94 HydrophobicContact CG1-CB 4.41Å; I83-F94 HydrophobicContact CG1-CD1 4.02Å; I83-F94 HydrophobicContact CG1-CD2 3.98Å; I83-F94 HydrophobicContact CG1-CE1 4.31Å; I83-F94 HydrophobicContact CG1-CE2 4.28Å; I83-F94 HydrophobicContact CG1-CG 3.86Å; I83-F94 HydrophobicContact CG1-CZ 4.45Å; I83-F94 HydrophobicContact CG2-CB 4.01Å; I83-F94 HydrophobicContact CG2-CD2 4.34Å; I83-F94 HydrophobicContact CG2-CG 4.25Å; L88-F94 HydrophobicContact CD2-CB 3.86Å; Q91-F94 HydrophobicContact CB-CD2 3.5Å; Q91-F94 HydrophobicContact CB-CE2 3.78Å; Q91-F94 PolarHBondContact O-N 2.61Å; F92-F94 VanDerWaalsContact C-N 3.29Å; F94-K103 HydrophobicContact CE1-CB 4.48Å; F94-K103 WeakPolarHBondContact CE1-O 3.18Å; F94-K103 HydrophobicContact CE2-CB 4.28Å; F94-K103 HydrophobicContact CE2-CD 4.15Å; F94-K103 HydrophobicContact CE2-CG 3.96Å; F94-K103 HydrophobicContact CZ-CB 3.79Å; F94-K103 HydrophobicContact CZ-CD 4.44Å; F94-K103 HydrophobicContact CZ-CG 3.98Å; F94-V106 HydrophobicContact CD1-CB 4.04Å; F94-V106 HydrophobicContact CD1-CG1 3.72Å; F94-V106 HydrophobicContact CE1-CB 4.1Å; F94-V106 HydrophobicContact CE1-CG1 4.23Å; F94-A107 HydrophobicContact CE1-CB 3.96Å; F94-A107 HydrophobicContact CZ-CB 4.26Å
95	R	98.1	Very high	96.5	Very high	110 Å²	110	54.5 Å²	54.5	42%	0.415	29%	0.29	S	S	.	.			trans	-124	166.7	174.9	-58.7	-70.7	176	-88.8	-0.1	110.1	F92 K97 D98	F92-R95 PolarHBondContact O-NH1 2.9Å; F92-R95 PolarHBondContact O-NH2 3.42Å; R95-K97 HydrophobicContact CB-CG 4.01Å; R95-K97 PolarHBondContact O-N 2.93Å; R95-K97 VanDerWaalsContact O-N 3.1Å; R95-D98 VanDerWaalsContact CB-OD2 3.3Å; R95-D98 WeakPolarHBondContact CB-OD2 3.44Å; R95-D98 PolarHBondContact N-OD2 2.97Å; R95-D98 WeakPolarHBondContact O-CB 3.27Å; R95-D98 PolarHBondContact O-N 2.68Å
96	S	97.6	Very high	96.8	Very high	97 Å²	97	50.1 Å²	50.1	68%	0.678	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-55.9	-30.4	177.5	-51.4	0	0	0	0	113.6	D98 V99	S96-D98 PolarHBondContact O-N 2.83Å; S96-V99 WeakPolarHBondContact O-CG2 3.46Å
97	K	97.9	Very high	97.2	Very high	172 Å²	172	47.2 Å²	47.2	75%	0.748	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-71.6	-14.3	175.8	65.2	171	-173.2	173	0	114.2	R95	R95-K97 HydrophobicContact CB-CG 4.01Å; R95-K97 PolarHBondContact O-N 2.93Å; R95-K97 VanDerWaalsContact O-N 3.1Å
98	D	98.2	Very high	97.5	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.053	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-97.7	-4.3	-175.8	-55.3	-55	0	0	0	112.4	I83 R95 S96 G100 R101 V106	I83-D98 HydrophobicContact CD1-CB 3.71Å; I83-D98 WeakPolarHBondContact CD1-O 3.4Å; R95-D98 VanDerWaalsContact CB-OD2 3.3Å; R95-D98 WeakPolarHBondContact CB-OD2 3.44Å; R95-D98 PolarHBondContact N-OD2 2.97Å; R95-D98 WeakPolarHBondContact O-CB 3.27Å; R95-D98 PolarHBondContact O-N 2.68Å; S96-D98 PolarHBondContact O-N 2.83Å; D98-G100 PolarHBondContact O-N 2.73Å; D98-R101 VanDerWaalsContact O-CB 3.25Å; D98-R101 WeakPolarHBondContact O-CB 3.38Å; D98-R101 WeakPolarHBondContact O-CG 3.26Å; D98-R101 PolarHBondContact O-N 3.31Å; D98-R101 IonicContact OD1-NH1 3.93Å; D98-R101 PolarHBondContact OD1-NH1 3.19Å; D98-R101 VanDerWaalsContact OD1-NH1 3.12Å; D98-V106 HydrophobicContact CB-CG1 3.99Å; D98-V106 HydrophobicContact CB-CG2 4.29Å
99	V	97.4	Very high	97.6	Very high	60 Å²	60	47.9 Å²	47.9	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.4	178.2	175.4	0	0	0	0	110.5	I83 V85 L88 S96 R101	I83-V99 HydrophobicContact CG2-CG2 4.39Å; V85-V99 HydrophobicContact CG2-CG1 4.04Å; V85-V99 HydrophobicContact CG2-CG2 4.03Å; L88-V99 HydrophobicContact CD1-CG2 4.39Å; S96-V99 WeakPolarHBondContact O-CG2 3.46Å; V99-R101 VanDerWaalsContact C-N 3.33Å
100	G	96.1	Very high	98	Very high	51 Å²	51	45.5 Å²	45.5	53%	0.526	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-11.7	-175	0	0	0	0	0	115.1	I83 D98	I83-G100 PolarHBondContact O-N 3.42Å; D98-G100 PolarHBondContact O-N 2.73Å
101	R	98.4	Very high	98.2	Very high	100 Å²	100	43 Å²	43	38%	0.377	22%	0.224	S	C	.	.	S	Bend	trans	-81.7	155	175.1	-60.4	178.3	65	-159.5	-3.7	111.3	T82 I83 D98 V99 K103 V106 D109	T82-R101 CarbonylContact C-O 3.02Å; T82-R101 WeakPolarHBondContact CA-O 3.43Å; I83-R101 HydrophobicContact CD1-CB 4.45Å; I83-R101 WeakPolarHBondContact CG1-O 3.36Å; I83-R101 PolarHBondContact N-O 3Å; D98-R101 VanDerWaalsContact O-CB 3.25Å; D98-R101 WeakPolarHBondContact O-CB 3.38Å; D98-R101 WeakPolarHBondContact O-CG 3.26Å; D98-R101 PolarHBondContact O-N 3.31Å; D98-R101 IonicContact OD1-NH1 3.93Å; D98-R101 PolarHBondContact OD1-NH1 3.19Å; D98-R101 VanDerWaalsContact OD1-NH1 3.12Å; V99-R101 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.38Å; R101-V106 HydrophobicContact CB-CG2 3.75Å; R101-D109 IonicContact NH2-OD2 3.96Å; R101-D109 PolarHBondContact NH2-OD2 2.96Å
102	P	98.6	Very high	98.3	Very high	28 Å²	28	45.3 Å²	45.3	18%	0.182	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-56.9	132.9	172.3	-28.1	37.8	0	0	0	112.9	D105 V106 F124	P102-D105 HydrophobicContact CB-CB 4.21Å; P102-D105 WeakPolarHBondContact CB-OD2 3.04Å; P102-D105 WeakPolarHBondContact CG-OD2 3.26Å; P102-V106 WeakPolarHBondContact O-CG2 3.34Å; P102-V106 PolarHBondContact O-N 3.21Å; P102-F124 HydrophobicContact CB-CB 4.1Å; P102-F124 HydrophobicContact CB-CD1 4.1Å; P102-F124 HydrophobicContact CB-CD2 3.63Å; P102-F124 HydrophobicContact CB-CE1 4.45Å; P102-F124 HydrophobicContact CB-CE2 3.99Å; P102-F124 HydrophobicContact CB-CG 3.68Å; P102-F124 HydrophobicContact CB-CZ 4.4Å; P102-F124 HydrophobicContact CG-CD1 3.86Å; P102-F124 HydrophobicContact CG-CD2 4.24Å; P102-F124 HydrophobicContact CG-CE1 4.02Å; P102-F124 HydrophobicContact CG-CE2 4.35Å; P102-F124 HydrophobicContact CG-CG 3.98Å; P102-F124 HydrophobicContact CG-CZ 4.26Å
103	K	98.7	Very high	98.3	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-45	-180	-71.6	-175.2	-168.2	157.1	0	112.1	A56 D79 D81 T82 I83 N87 F94 R101 D105 V106 A107	A56-K103 HydrophobicContact CB-CB 4.05Å; D79-K103 HydrophobicContact CB-CB 4.39Å; D81-K103 HydrophobicContact CB-CD 3.83Å; D81-K103 HydrophobicContact CB-CG 4.35Å; D81-K103 VanDerWaalsContact CB-NZ 3.28Å; D81-K103 PolarHBondContact O-N 3.37Å; D81-K103 IonicContact OD2-NZ 2.72Å; D81-K103 PolarHBondContact OD2-NZ 2.97Å; T82-K103 WeakPolarHBondContact O-CE 3.45Å; I83-K103 HydrophobicContact CG1-CB 4.46Å; I83-K103 HydrophobicContact CG1-CG 3.73Å; N87-K103 VanDerWaalsContact OD1-CE 3.25Å; N87-K103 WeakPolarHBondContact OD1-CE 3.37Å; F94-K103 HydrophobicContact CE1-CB 4.48Å; F94-K103 WeakPolarHBondContact CE1-O 3.18Å; F94-K103 HydrophobicContact CE2-CB 4.28Å; F94-K103 HydrophobicContact CE2-CD 4.15Å; F94-K103 HydrophobicContact CE2-CG 3.96Å; F94-K103 HydrophobicContact CZ-CB 3.79Å; F94-K103 HydrophobicContact CZ-CD 4.44Å; F94-K103 HydrophobicContact CZ-CG 3.98Å; R101-K103 PolarHBondContact O-N 3.38Å; K103-D105 PolarHBondContact O-N 2.88Å; K103-V106 PolarHBondContact O-N 3.36Å; K103-A107 WeakPolarHBondContact O-CB 3.43Å; K103-A107 PolarHBondContact O-N 3.23Å
104	A	98.6	Very high	98.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-55.4	-50.3	-178.8	0	0	0	0	0	111.3	V77 D79 A107 A108 P122	V77-A104 HydrophobicContact CG1-CB 4.37Å; D79-A104 HydrophobicContact CB-CB 4.12Å; A104-A107 PolarHBondContact O-N 3.18Å; A104-A108 WeakPolarHBondContact O-CB 3.38Å; A104-A108 PolarHBondContact O-N 3.05Å; A104-P122 HydrophobicContact CB-CB 4.05Å; A104-P122 WeakPolarHBondContact O-CB 3.45Å
105	D	98.8	Very high	98.2	Very high	54 Å²	54	57.2 Å²	57.2	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-51	-178.1	-63.1	-14.6	0	0	0	111.8	P102 K103 A107 A108 D109 P122	P102-D105 HydrophobicContact CB-CB 4.21Å; P102-D105 WeakPolarHBondContact CB-OD2 3.04Å; P102-D105 WeakPolarHBondContact CG-OD2 3.26Å; K103-D105 PolarHBondContact O-N 2.88Å; D105-A107 VanDerWaalsContact C-N 3.33Å; D105-A107 PolarHBondContact O-N 3.49Å; D105-A108 PolarHBondContact O-N 3.27Å; D105-D109 WeakPolarHBondContact O-CB 3.25Å; D105-D109 VanDerWaalsContact O-CG 3.31Å; D105-D109 PolarHBondContact O-N 2.76Å; D105-P122 WeakPolarHBondContact OD1-CB 3.46Å
106	V	98.8	Very high	98.1	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-35.7	-178.2	-177.9	0	0	0	0	111.5	I83 F94 D98 R101 P102 K103 F110	I83-V106 HydrophobicContact CD1-CB 3.76Å; I83-V106 HydrophobicContact CD1-CG1 4Å; I83-V106 HydrophobicContact CD1-CG2 3.64Å; F94-V106 HydrophobicContact CD1-CB 4.04Å; F94-V106 HydrophobicContact CD1-CG1 3.72Å; F94-V106 HydrophobicContact CE1-CB 4.1Å; F94-V106 HydrophobicContact CE1-CG1 4.23Å; D98-V106 HydrophobicContact CB-CG1 3.99Å; D98-V106 HydrophobicContact CB-CG2 4.29Å; R101-V106 HydrophobicContact CB-CG2 3.75Å; P102-V106 WeakPolarHBondContact O-CG2 3.34Å; P102-V106 PolarHBondContact O-N 3.21Å; K103-V106 PolarHBondContact O-N 3.36Å; V106-F110 WeakPolarHBondContact O-CB 3.25Å; V106-F110 PolarHBondContact O-N 3.44Å
107	A	98.8	Very high	97.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-47.3	176.6	0	0	0	0	0	111.1	A56 L64 L93 F94 K103 A104 D105 F110 I111	A56-A107 HydrophobicContact CB-CB 4.2Å; L64-A107 HydrophobicContact CD1-CB 3.78Å; L93-A107 HydrophobicContact CD1-CB 3.84Å; F94-A107 HydrophobicContact CE1-CB 3.96Å; F94-A107 HydrophobicContact CZ-CB 4.26Å; K103-A107 WeakPolarHBondContact O-CB 3.43Å; K103-A107 PolarHBondContact O-N 3.23Å; A104-A107 PolarHBondContact O-N 3.18Å; D105-A107 VanDerWaalsContact C-N 3.33Å; D105-A107 PolarHBondContact O-N 3.49Å; A107-F110 PolarHBondContact O-N 3Å; A107-I111 VanDerWaalsContact O-CG1 3.32Å; A107-I111 WeakPolarHBondContact O-CG1 3.37Å; A107-I111 PolarHBondContact O-N 2.86Å; A107-I111 VanDerWaalsContact O-N 3.09Å
108	A	98.8	Very high	97.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-49	176.4	0	0	0	0	0	111.7	V77 A104 D105 F110 I111 N112 V120 P122	V77-A108 HydrophobicContact CG1-CB 4.39Å; A104-A108 WeakPolarHBondContact O-CB 3.38Å; A104-A108 PolarHBondContact O-N 3.05Å; D105-A108 PolarHBondContact O-N 3.27Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 3.34Å; A108-I111 PolarHBondContact O-N 2.84Å; A108-N112 VanDerWaalsContact O-CB 3.31Å; A108-N112 WeakPolarHBondContact O-CB 3.48Å; A108-N112 PolarHBondContact O-N 2.87Å; A108-N112 PolarHBondContact O-ND2 3.13Å; A108-V120 HydrophobicContact CB-CB 3.96Å; A108-V120 HydrophobicContact CB-CG1 3.66Å; A108-P122 HydrophobicContact CB-CB 3.75Å; A108-P122 HydrophobicContact CB-CG 3.86Å
109	D	98.7	Very high	97.8	Very high	74 Å²	74	51.2 Å²	51.2	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-54.1	-47.2	176.6	-79.3	-14.7	0	0	0	111.1	R101 D105 N113	R101-D109 IonicContact NH2-OD2 3.96Å; R101-D109 PolarHBondContact NH2-OD2 2.96Å; D105-D109 WeakPolarHBondContact O-CB 3.25Å; D105-D109 VanDerWaalsContact O-CG 3.31Å; D105-D109 PolarHBondContact O-N 2.76Å; D109-N113 VanDerWaalsContact O-CB 3.31Å; D109-N113 WeakPolarHBondContact O-CB 3.45Å; D109-N113 VanDerWaalsContact O-CG 3.23Å; D109-N113 PolarHBondContact O-N 3.5Å; D109-N113 VanDerWaalsContact O-N 3.13Å; D109-N113 PolarHBondContact O-ND2 2.76Å
110	F	98.8	Very high	97.9	Very high	49 Å²	49	48.6 Å²	48.6	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-47.3	-178.4	-171	-77.5	0	0	0	111.6	L93 V106 A107 A108 N113 R114	L93-F110 HydrophobicContact CB-CB 4.37Å; L93-F110 HydrophobicContact CB-CG 4.35Å; L93-F110 HydrophobicContact CD2-CB 4.48Å; L93-F110 HydrophobicContact CD2-CD1 3.42Å; L93-F110 VanDerWaalsContact CD2-CD1 3.42Å; L93-F110 HydrophobicContact CD2-CE1 3.79Å; L93-F110 HydrophobicContact CD2-CG 4.05Å; L93-F110 VanDerWaalsContact O-CD2 3.32Å; L93-F110 WeakPolarHBondContact O-CD2 3.43Å; V106-F110 WeakPolarHBondContact O-CB 3.25Å; V106-F110 PolarHBondContact O-N 3.44Å; A107-F110 PolarHBondContact O-N 3Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 3.34Å; F110-N113 PolarHBondContact O-N 2.98Å; F110-R114 HydrophobicContact CD1-CB 4.21Å; F110-R114 HydrophobicContact CE1-CB 4.09Å; F110-R114 HydrophobicContact CE1-CG 4.24Å; F110-R114 WeakPolarHBondContact O-CB 3.35Å; F110-R114 PolarHBondContact O-N 3.25Å
111	I	98.6	Very high	98	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-46.2	-176.6	-65.9	-72.6	0	0	0	111.1	L64 K65 A68 L93 A107 A108 N113 R114 I115 C118 V120	L64-I111 HydrophobicContact CB-CD1 4.08Å; L64-I111 HydrophobicContact CB-CG1 3.98Å; K65-I111 HydrophobicContact CB-CD1 4.48Å; A68-I111 HydrophobicContact CB-CG2 4.05Å; L93-I111 HydrophobicContact CD1-CD1 4.25Å; L93-I111 HydrophobicContact CD1-CG1 4.07Å; L93-I111 HydrophobicContact CD2-CD1 3.83Å; L93-I111 HydrophobicContact CD2-CG1 4.28Å; A107-I111 VanDerWaalsContact O-CG1 3.32Å; A107-I111 WeakPolarHBondContact O-CG1 3.37Å; A107-I111 PolarHBondContact O-N 2.86Å; A107-I111 VanDerWaalsContact O-N 3.09Å; A108-I111 PolarHBondContact O-N 2.84Å; I111-N113 PolarHBondContact O-N 3.09Å; I111-R114 PolarHBondContact O-N 3.03Å; I111-R114 VanDerWaalsContact O-N 3.11Å; I111-I115 HydrophobicContact CD1-CD1 4.47Å; I111-I115 HydrophobicContact CG2-CD1 4.28Å; I111-I115 PolarHBondContact O-N 3.35Å; I111-C118 HydrophobicContact CG2-CB 4.39Å; I111-V120 HydrophobicContact CB-CG2 3.94Å; I111-V120 HydrophobicContact CG2-CG2 3.49Å; I111-V120 VanDerWaalsContact CG2-CG2 3.49Å
112	N	98.4	Very high	98	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-35.9	178.4	-70	-21.7	0	0	0	112	A108 C118 V120	A108-N112 VanDerWaalsContact O-CB 3.31Å; A108-N112 WeakPolarHBondContact O-CB 3.48Å; A108-N112 PolarHBondContact O-N 2.87Å; A108-N112 PolarHBondContact O-ND2 3.13Å; N112-C118 PolarHBondContact OD1-O 2.77Å; N112-V120 PolarHBondContact ND2-O 3.13Å; N112-V120 PolarHBondContact OD1-N 3.5Å
113	N	98.1	Very high	98	Very high	138 Å²	138	46.1 Å²	46.1	74%	0.738	23%	0.233	S	C	*	.	H	α-helix	trans	-76.4	-36.9	175.3	-74.2	-45.8	0	0	0	112.9	D109 F110 I111	D109-N113 VanDerWaalsContact O-CB 3.31Å; D109-N113 WeakPolarHBondContact O-CB 3.45Å; D109-N113 VanDerWaalsContact O-CG 3.23Å; D109-N113 PolarHBondContact O-N 3.5Å; D109-N113 VanDerWaalsContact O-N 3.13Å; D109-N113 PolarHBondContact O-ND2 2.76Å; F110-N113 PolarHBondContact O-N 2.98Å; I111-N113 PolarHBondContact O-N 3.09Å
114	R	98	Very high	98	Very high	172 Å²	172	50.1 Å²	50.1	65%	0.649	25%	0.251	S	S	*	.	H	α-helix	trans	-79.6	-35.4	-175.1	179.4	57.4	63	-170.4	1.5	112.9	F110 I111	F110-R114 HydrophobicContact CD1-CB 4.21Å; F110-R114 HydrophobicContact CE1-CB 4.09Å; F110-R114 HydrophobicContact CE1-CG 4.24Å; F110-R114 WeakPolarHBondContact O-CB 3.35Å; F110-R114 PolarHBondContact O-N 3.25Å; I111-R114 PolarHBondContact O-N 3.03Å; I111-R114 VanDerWaalsContact O-N 3.11Å
115	I	97	Very high	98	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.056	27%	0.271	C	S	.	.	S	Bend	trans	-118.2	97.4	-171.5	-56.6	178.8	0	0	0	108.5	A68 L69 I111 G117 C118	A68-I115 HydrophobicContact CB-CD1 3.4Å; A68-I115 VanDerWaalsContact CB-CD1 3.4Å; A68-I115 HydrophobicContact CB-CG2 4.27Å; L69-I115 HydrophobicContact CD2-CD1 3.97Å; L69-I115 HydrophobicContact CD2-CG1 4.36Å; L69-I115 HydrophobicContact CG-CD1 3.95Å; I111-I115 HydrophobicContact CD1-CD1 4.47Å; I111-I115 HydrophobicContact CG2-CD1 4.28Å; I111-I115 PolarHBondContact O-N 3.35Å; I115-G117 PolarHBondContact O-N 3.05Å; I115-C118 HydrophobicContact CB-CB 4.12Å; I115-C118 HydrophobicContact CG2-CB 4.06Å; I115-C118 VanDerWaalsContact O-CB 3.3Å; I115-C118 WeakPolarHBondContact O-CB 3.4Å; I115-C118 PolarHBondContact O-N 3.26Å; I115-C118 VanDerWaalsContact O-N 3.11Å
116	P	95.1	Very high	97.8	Very high	55 Å²	55	57.4 Å²	57.4	36%	0.357	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	132.9	-174	-27.4	35.7	0	0	0	112.7	C11 W13 R16 C118	C11-P116 HydrophobicContact CB-CB 4.19Å; W13-P116 HydrophobicContact CZ3-CB 4.47Å; W13-P116 HydrophobicContact CZ3-CG 4.14Å; R16-P116 VanDerWaalsContact CZ-O 3.24Å; R16-P116 PolarHBondContact NH1-O 2.75Å; R16-P116 PolarHBondContact NH2-O 3.27Å; P116-C118 PolarHBondContact O-N 3.4Å
117	G	93.7	Very high	97.7	Very high	32 Å²	32	57.7 Å²	57.7	33%	0.33	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-6.2	179.4	0	0	0	0	0	115.1	R73 I115	R73-G117 WeakPolarHBondContact CD-O 3.4Å; R73-G117 WeakPolarHBondContact CG-O 3.46Å; R73-G117 PolarHBondContact NE-O 3.43Å; I115-G117 PolarHBondContact O-N 3.05Å
118	C	96.4	Very high	97.5	Very high	12 Å²	12	61.5 Å²	61.5	8%	0.081	30%	0.299	C	S	.	.			trans	-68.2	143.6	167.1	-164.1	0	0	0	0	109.7	A68 I111 N112 I115 P116	A68-C118 HydrophobicContact CB-CB 4.46Å; A68-C118 VanDerWaalsContact CB-SG 3.58Å; I111-C118 HydrophobicContact CG2-CB 4.39Å; N112-C118 PolarHBondContact OD1-O 2.77Å; I115-C118 HydrophobicContact CB-CB 4.12Å; I115-C118 HydrophobicContact CG2-CB 4.06Å; I115-C118 VanDerWaalsContact O-CB 3.3Å; I115-C118 WeakPolarHBondContact O-CB 3.4Å; I115-C118 PolarHBondContact O-N 3.26Å; I115-C118 VanDerWaalsContact O-N 3.11Å; P116-C118 PolarHBondContact O-N 3.4Å
119	R	97.8	Very high	97.4	Very high	165 Å²	165	66.4 Å²	66.4	62%	0.623	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	81.7	179.2	-174.3	-172	175.3	-169.4	-1.6	109.2	R73 I75 V121	R73-R119 CarbonylContact O-C 3.47Å; R73-R119 VanDerWaalsContact O-CA 3.3Å; R73-R119 WeakPolarHBondContact O-CA 3.32Å; R73-R119 WeakPolarHBondContact O-CB 3.5Å; R73-R119 PolarHBondContact O-N 2.96Å; I75-R119 PolarHBondContact N-O 3.41Å; R119-V121 HydrophobicContact CG-CG2 4.47Å
120	V	98.8	Very high	97.2	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.1	170.7	-171.1	0	0	0	0	109.6	L64 I75 V77 A108 I111 N112	L64-V120 HydrophobicContact CD2-CG1 3.98Å; L64-V120 HydrophobicContact CD2-CG2 4.43Å; I75-V120 HydrophobicContact CB-CG2 4.31Å; I75-V120 CarbonylContact O-C 3.55Å; I75-V120 WeakPolarHBondContact O-CA 3.37Å; V77-V120 HydrophobicContact CB-CG1 4.31Å; V77-V120 HydrophobicContact CG1-CG1 3.73Å; A108-V120 HydrophobicContact CB-CB 3.96Å; A108-V120 HydrophobicContact CB-CG1 3.66Å; I111-V120 HydrophobicContact CB-CG2 3.94Å; I111-V120 HydrophobicContact CG2-CG2 3.49Å; I111-V120 VanDerWaalsContact CG2-CG2 3.49Å; N112-V120 PolarHBondContact ND2-O 3.13Å; N112-V120 PolarHBondContact OD1-N 3.5Å
121	V	98.8	Very high	97	Very high	46 Å²	46	65.5 Å²	65.5	28%	0.279	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.1	176.2	-178.5	0	0	0	0	109.4	I75 D76 V77 R119	I75-V121 PolarHBondContact O-N 3.14Å; D76-V121 CarbonylContact C-O 3.51Å; D76-V121 WeakPolarHBondContact CA-O 3.29Å; V77-V121 PolarHBondContact N-O 2.87Å; R119-V121 HydrophobicContact CG-CG2 4.47Å
122	P	98.8	Very high	96.7	Very high	45 Å²	45	69.1 Å²	69.1	29%	0.292	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.9	-179	33.4	-33.6	0	0	0	112.7	V77 A104 D105 A108	V77-P122 HydrophobicContact CG1-CB 4.26Å; V77-P122 CarbonylContact O-C 3.59Å; A104-P122 HydrophobicContact CB-CB 4.05Å; A104-P122 WeakPolarHBondContact O-CB 3.45Å; D105-P122 WeakPolarHBondContact OD1-CB 3.46Å; A108-P122 HydrophobicContact CB-CB 3.75Å; A108-P122 HydrophobicContact CB-CG 3.86Å
123	H	98.8	Very high	96.7	Very high	36 Å²	36	71.5 Å²	71.5	17%	0.167	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	98.7	172.8	-60.2	-84.8	0	0	0	109.2	D76 V77 V78 D79 K125 F134	D76-H123 IonicContact OD2-CD2 3.99Å; D76-H123 IonicContact OD2-CE1 2.75Å; D76-H123 IonicContact OD2-NE2 3.12Å; D76-H123 PolarHBondContact OD2-NE2 3.42Å; V77-H123 PolarHBondContact O-N 3Å; V78-H123 WeakPolarHBondContact CA-O 3.3Å; V78-H123 HydrophobicContact CB-CB 4.38Å; V78-H123 HydrophobicContact CG2-CB 3.74Å; D79-H123 PolarHBondContact N-O 2.78Å; D79-H123 VanDerWaalsContact N-O 3.17Å; H123-K125 PolarHBondContact O-N 3.21Å; H123-F134 AromaticContact CE1-CE2 3.68Å; H123-F134 AromaticContact NE2-CE2 3.77Å; H123-F134 AromaticContact NE2-CZ 3.91Å
124	F	98.4	Very high	96.7	Very high	97 Å²	97	66 Å²	66	43%	0.425	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	75.6	171.1	-177	-131.6	0	0	0	110.5	D79 M80 T82 P102	D79-F124 WeakPolarHBondContact O-CA 3.14Å; D79-F124 WeakPolarHBondContact O-CD2 3.31Å; M80-F124 VanDerWaalsContact C-CE2 3.47Å; M80-F124 WeakPolarHBondContact O-CE2 3.26Å; T82-F124 HydrophobicContact CG2-CE2 4.41Å; T82-F124 HydrophobicContact CG2-CZ 4.08Å; P102-F124 HydrophobicContact CB-CB 4.1Å; P102-F124 HydrophobicContact CB-CD1 4.1Å; P102-F124 HydrophobicContact CB-CD2 3.63Å; P102-F124 HydrophobicContact CB-CE1 4.45Å; P102-F124 HydrophobicContact CB-CE2 3.99Å; P102-F124 HydrophobicContact CB-CG 3.68Å; P102-F124 HydrophobicContact CB-CZ 4.4Å; P102-F124 HydrophobicContact CG-CD1 3.86Å; P102-F124 HydrophobicContact CG-CD2 4.24Å; P102-F124 HydrophobicContact CG-CE1 4.02Å; P102-F124 HydrophobicContact CG-CE2 4.35Å; P102-F124 HydrophobicContact CG-CG 3.98Å; P102-F124 HydrophobicContact CG-CZ 4.26Å
125	K	97.9	Very high	96.7	Very high	97 Å²	97	57.9 Å²	57.9	42%	0.422	29%	0.294	S	S	.	.	S	Bend	trans	-147.2	159.1	-172.9	-71.2	-172	173.5	-170.3	0	110.8	V78 D79 H123 L130	V78-K125 WeakPolarHBondContact CG1-O 3.4Å; D79-K125 CarbonylContact C-O 3.59Å; D79-K125 PolarHBondContact O-N 3.03Å; H123-K125 PolarHBondContact O-N 3.21Å; K125-L130 HydrophobicContact CD-CD2 3.81Å; K125-L130 HydrophobicContact CD-CG 4.4Å
126	K	95.9	Very high	96.7	Very high	109 Å²	109	62.8 Å²	62.8	47%	0.474	31%	0.312	S	S	.	.			trans	-78.2	148.7	163.7	-50.8	-169.4	175.1	175	0	108.8	M80 Q128 D129	M80-K126 HydrophobicContact CB-CG 3.81Å; M80-K126 HydrophobicContact CG-CG 4.35Å; M80-K126 HydrophobicContact SD-CB 4.37Å; M80-K126 HydrophobicContact SD-CD 3.85Å; M80-K126 HydrophobicContact SD-CG 3.64Å; K126-Q128 PolarHBondContact O-N 3.01Å; K126-D129 WeakPolarHBondContact CB-OD2 3.39Å; K126-D129 PolarHBondContact N-OD2 2.58Å; K126-D129 VanDerWaalsContact N-OD2 3.13Å; K126-D129 WeakPolarHBondContact O-CB 3.25Å; K126-D129 PolarHBondContact O-N 3.38Å
127	I	96.8	Very high	96.8	Very high	11 Å²	11	63.7 Å²	63.7	6%	0.056	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-57	-33.7	173.8	57.3	178.7	0	0	0	111.5	I54 V78 D129 L130 Y135 A150 W153 M154	I54-I127 HydrophobicContact CD1-CG2 4.28Å; I54-I127 HydrophobicContact CG2-CG2 3.46Å; I54-I127 VanDerWaalsContact CG2-CG2 3.46Å; V78-I127 HydrophobicContact CG1-CG2 4.02Å; I127-D129 PolarHBondContact O-N 2.85Å; I127-L130 PolarHBondContact O-N 2.95Å; I127-Y135 WeakPolarHBondContact CA-OH 3.42Å; I127-Y135 WeakPolarHBondContact CB-OH 3.34Å; I127-Y135 PolarHBondContact O-OH 2.99Å; I127-A150 HydrophobicContact CD1-CB 3.83Å; I127-W153 HydrophobicContact CB-CE3 4.16Å; I127-W153 HydrophobicContact CB-CZ3 3.93Å; I127-W153 HydrophobicContact CD1-CD2 4.43Å; I127-W153 HydrophobicContact CD1-CE3 3.76Å; I127-W153 HydrophobicContact CD1-CZ3 4.41Å; I127-W153 HydrophobicContact CG1-CD2 4.48Å; I127-W153 HydrophobicContact CG1-CE3 3.84Å; I127-W153 HydrophobicContact CG1-CZ3 4.11Å; I127-W153 WeakPolarHBondContact O-CH2 3.1Å; I127-W153 WeakPolarHBondContact O-CZ3 3.41Å; I127-M154 HydrophobicContact CB-SD 3.85Å; I127-M154 HydrophobicContact CD1-CG 3.72Å; I127-M154 HydrophobicContact CD1-SD 3.8Å; I127-M154 HydrophobicContact CG1-SD 4.32Å; I127-M154 HydrophobicContact CG2-SD 4.01Å
128	Q	94.6	Very high	97.1	Very high	81 Å²	81	62.5 Å²	62.5	38%	0.379	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-68.5	-15.3	179.5	-60.1	83	1.4	0	0	114	K126 L130 W153	K126-Q128 PolarHBondContact O-N 3.01Å; Q128-L130 VanDerWaalsContact C-N 3.29Å; Q128-W153 HydrophobicContact CB-CZ2 4.24Å; Q128-W153 HydrophobicContact CG-CD2 3.97Å; Q128-W153 HydrophobicContact CG-CG 4.12Å; Q128-W153 HydrophobicContact CG-CZ2 4.22Å
129	D	95.4	Very high	97.2	Very high	103 Å²	103	65.5 Å²	65.5	55%	0.551	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-86.8	-3.1	179.1	-55.2	-32.6	0	0	0	112.3	K126 I127	K126-D129 WeakPolarHBondContact CB-OD2 3.39Å; K126-D129 PolarHBondContact N-OD2 2.58Å; K126-D129 VanDerWaalsContact N-OD2 3.13Å; K126-D129 WeakPolarHBondContact O-CB 3.25Å; K126-D129 PolarHBondContact O-N 3.38Å; I127-D129 PolarHBondContact O-N 2.85Å
130	L	96.1	Very high	97.2	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.079	28%	0.282	C	S	.	.	S	Bend	trans	-108.4	141.2	-177.3	-61.6	164.7	0	0	0	109.5	V78 K125 I127 Q128 F134 Y135	V78-L130 HydrophobicContact CG1-CD1 4.06Å; V78-L130 HydrophobicContact CG2-CD1 3.71Å; K125-L130 HydrophobicContact CD-CD2 3.81Å; K125-L130 HydrophobicContact CD-CG 4.4Å; I127-L130 PolarHBondContact O-N 2.95Å; Q128-L130 VanDerWaalsContact C-N 3.29Å; L130-F134 HydrophobicContact CB-CB 4.31Å; L130-F134 HydrophobicContact CB-CD1 3.86Å; L130-F134 HydrophobicContact CB-CG 4.17Å; L130-F134 HydrophobicContact CD1-CD1 3.83Å; L130-F134 HydrophobicContact CD1-CE1 3.61Å; L130-F134 HydrophobicContact CD1-CG 4.48Å; L130-F134 HydrophobicContact CD1-CZ 4.09Å; L130-F134 HydrophobicContact CD2-CD1 4.15Å; L130-F134 HydrophobicContact CD2-CD2 4.09Å; L130-F134 HydrophobicContact CD2-CE1 4.42Å; L130-F134 HydrophobicContact CD2-CE2 4.36Å; L130-F134 HydrophobicContact CD2-CG 3.97Å; L130-F134 HydrophobicContact CG-CD1 4.15Å; L130-F134 HydrophobicContact CG-CE1 4.39Å; L130-F134 HydrophobicContact CG-CG 4.43Å; L130-Y135 HydrophobicContact CB-CE2 3.76Å
131	D	92.7	Very high	97.3	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	28%	0.281	S	S	.	.			trans	-98.1	174.3	-174.6	71.8	-12.6	0	0	0	112.5	T133 F134 Y135	D131-T133 PolarHBondContact O-N 3.46Å; D131-T133 WeakPolarHBondContact OD1-CB 3.48Å; D131-T133 PolarHBondContact OD1-N 3.48Å; D131-T133 PolarHBondContact OD2-OG1 2.99Å; D131-T133 VanDerWaalsContact OD2-OG1 3.13Å; D131-F134 WeakPolarHBondContact O-CB 3.47Å; D131-F134 PolarHBondContact O-N 3.43Å; D131-F134 VanDerWaalsContact O-N 3.1Å; D131-F134 PolarHBondContact OD1-N 3.38Å; D131-Y135 WeakPolarHBondContact O-CD2 3.36Å; D131-Y135 PolarHBondContact O-N 2.92Å
132	E	94.3	Very high	97.2	Very high	79 Å²	79	55.5 Å²	55.5	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-55.3	-37.7	177	-63.8	-168.5	-179.4	0	0	112.5	F134 Y135 R136 M157 S160 L161	E132-F134 VanDerWaalsContact C-N 3.28Å; E132-F134 PolarHBondContact O-N 3.38Å; E132-Y135 PolarHBondContact O-N 3.5Å; E132-Y135 VanDerWaalsContact O-N 3.12Å; E132-R136 WeakPolarHBondContact O-CB 3.39Å; E132-R136 VanDerWaalsContact O-CG 3.29Å; E132-R136 WeakPolarHBondContact O-CG 3.26Å; E132-R136 PolarHBondContact O-N 2.72Å; E132-R136 IonicContact OE2-NE 2.81Å; E132-R136 IonicContact OE2-NH2 2.99Å; E132-R136 PolarHBondContact OE2-NH2 2.81Å; E132-M157 HydrophobicContact CB-SD 4.5Å; E132-M157 HydrophobicContact CG-CE 4.36Å; E132-M157 HydrophobicContact CG-SD 3.82Å; E132-S160 PolarHBondContact OE1-OG 3.17Å; E132-L161 HydrophobicContact CB-CD2 3.63Å; E132-L161 HydrophobicContact CG-CD2 3.75Å
133	T	96.6	Very high	97.2	Very high	104 Å²	104	53.4 Å²	53.4	64%	0.638	25%	0.254	S	S	*	.	H	α-helix	trans	-58.2	-42.7	178.7	-44	0	0	0	0	111.2	D131	D131-T133 PolarHBondContact O-N 3.46Å; D131-T133 WeakPolarHBondContact OD1-CB 3.48Å; D131-T133 PolarHBondContact OD1-N 3.48Å; D131-T133 PolarHBondContact OD2-OG1 2.99Å; D131-T133 VanDerWaalsContact OD2-OG1 3.13Å
134	F	98.4	Very high	97.1	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-46	175.1	176.2	-95.2	0	0	0	111.8	L52 V78 H123 L130 D131 E132 Q137 F138	L52-F134 HydrophobicContact CD1-CE1 4.16Å; L52-F134 HydrophobicContact CD1-CZ 4.13Å; L52-F134 HydrophobicContact CD2-CE1 3.91Å; V78-F134 HydrophobicContact CG2-CE1 4.32Å; V78-F134 HydrophobicContact CG2-CZ 4.21Å; H123-F134 AromaticContact CE1-CE2 3.68Å; H123-F134 AromaticContact NE2-CE2 3.77Å; H123-F134 AromaticContact NE2-CZ 3.91Å; L130-F134 HydrophobicContact CB-CB 4.31Å; L130-F134 HydrophobicContact CB-CD1 3.86Å; L130-F134 HydrophobicContact CB-CG 4.17Å; L130-F134 HydrophobicContact CD1-CD1 3.83Å; L130-F134 HydrophobicContact CD1-CE1 3.61Å; L130-F134 HydrophobicContact CD1-CG 4.48Å; L130-F134 HydrophobicContact CD1-CZ 4.09Å; L130-F134 HydrophobicContact CD2-CD1 4.15Å; L130-F134 HydrophobicContact CD2-CD2 4.09Å; L130-F134 HydrophobicContact CD2-CE1 4.42Å; L130-F134 HydrophobicContact CD2-CE2 4.36Å; L130-F134 HydrophobicContact CD2-CG 3.97Å; L130-F134 HydrophobicContact CG-CD1 4.15Å; L130-F134 HydrophobicContact CG-CE1 4.39Å; L130-F134 HydrophobicContact CG-CG 4.43Å; D131-F134 WeakPolarHBondContact O-CB 3.47Å; D131-F134 PolarHBondContact O-N 3.43Å; D131-F134 VanDerWaalsContact O-N 3.1Å; D131-F134 PolarHBondContact OD1-N 3.38Å; E132-F134 VanDerWaalsContact C-N 3.28Å; E132-F134 PolarHBondContact O-N 3.38Å; F134-Q137 VanDerWaalsContact O-CG 3.23Å; F134-Q137 WeakPolarHBondContact O-CG 3.46Å; F134-Q137 PolarHBondContact O-NE2 2.92Å; F134-F138 AromaticContact CD1-CE2 3.99Å; F134-F138 HydrophobicContact CD1-CE2 3.99Å; F134-F138 AromaticContact CE1-CE2 3.53Å; F134-F138 HydrophobicContact CE1-CE2 3.53Å; F134-F138 HydrophobicContact CE1-CZ 4.07Å; F134-F138 HydrophobicContact CE2-CE2 4.14Å; F134-F138 HydrophobicContact CE2-CZ 4.1Å; F134-F138 HydrophobicContact CG-CE2 4.47Å; F134-F138 AromaticContact CZ-CE2 3.63Å; F134-F138 HydrophobicContact CZ-CE2 3.63Å; F134-F138 AromaticContact CZ-CZ 3.68Å; F134-F138 HydrophobicContact CZ-CZ 3.68Å; F134-F138 WeakPolarHBondContact O-CD2 3.37Å; F134-F138 WeakPolarHBondContact O-CE2 3.34Å
135	Y	98.3	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.4	-33.7	-175.6	-67.9	-68.1	0	0	0	113.6	L52 I54 I127 L130 D131 E132 Q137 F138 I141 W153 M154 M157 I175	L52-Y135 HydrophobicContact CD2-CD1 3.77Å; L52-Y135 HydrophobicContact CD2-CE1 3.66Å; I54-Y135 HydrophobicContact CD1-CE1 4.48Å; I127-Y135 WeakPolarHBondContact CA-OH 3.42Å; I127-Y135 WeakPolarHBondContact CB-OH 3.34Å; I127-Y135 PolarHBondContact O-OH 2.99Å; L130-Y135 HydrophobicContact CB-CE2 3.76Å; D131-Y135 WeakPolarHBondContact O-CD2 3.36Å; D131-Y135 PolarHBondContact O-N 2.92Å; E132-Y135 PolarHBondContact O-N 3.5Å; E132-Y135 VanDerWaalsContact O-N 3.12Å; Y135-Q137 PolarHBondContact O-N 3.48Å; Y135-Q137 VanDerWaalsContact O-N 3.08Å; Y135-F138 PolarHBondContact O-N 3.04Å; Y135-I141 HydrophobicContact CD1-CD1 3.92Å; Y135-W153 AromaticContact CE2-CH2 3.89Å; Y135-W153 HydrophobicContact CE2-CH2 3.89Å; Y135-W153 AromaticContact CE2-CZ3 3.96Å; Y135-W153 HydrophobicContact CE2-CZ3 3.96Å; Y135-W153 AromaticContact CZ-CZ3 3.96Å; Y135-M154 HydrophobicContact CD1-CE 3.96Å; Y135-M154 HydrophobicContact CE1-CE 3.54Å; Y135-M154 HydrophobicContact CE1-SD 4.12Å; Y135-M157 HydrophobicContact CD2-CE 4.04Å; Y135-M157 HydrophobicContact CD2-CG 3.49Å; Y135-M157 VanDerWaalsContact CD2-CG 3.49Å; Y135-M157 HydrophobicContact CD2-SD 3.72Å; Y135-M157 HydrophobicContact CE2-CE 4.09Å; Y135-M157 HydrophobicContact CE2-CG 3.89Å; Y135-M157 HydrophobicContact CE2-SD 4.31Å; Y135-M157 HydrophobicContact CG-CG 3.94Å; Y135-M157 HydrophobicContact CG-SD 4.49Å; Y135-I175 WeakPolarHBondContact O-CD1 3.46Å
136	R	97.7	Very high	96.4	Very high	115 Å²	115	50.1 Å²	50.1	43%	0.434	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.1	179.9	-77.2	-179.5	-171.3	-77.6	-0.9	114.5	E132 F138 L161	E132-R136 WeakPolarHBondContact O-CB 3.39Å; E132-R136 VanDerWaalsContact O-CG 3.29Å; E132-R136 WeakPolarHBondContact O-CG 3.26Å; E132-R136 PolarHBondContact O-N 2.72Å; E132-R136 IonicContact OE2-NE 2.81Å; E132-R136 IonicContact OE2-NH2 2.99Å; E132-R136 PolarHBondContact OE2-NH2 2.81Å; R136-F138 VanDerWaalsContact C-N 3.33Å; R136-L161 HydrophobicContact CG-CD1 3.97Å; R136-L161 HydrophobicContact CG-CD2 3.86Å; R136-L161 HydrophobicContact CG-CG 4.34Å; R136-L161 PolarHBondContact NH1-O 2.86Å
137	Q	97.8	Very high	96.2	Very high	74 Å²	74	47 Å²	47	35%	0.346	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.1	-177.1	82.7	-172.3	-64.4	0	0	114.1	K50 F134 Y135	K50-Q137 VanDerWaalsContact CD-O 3.25Å; K50-Q137 WeakPolarHBondContact CD-O 3.45Å; F134-Q137 VanDerWaalsContact O-CG 3.23Å; F134-Q137 WeakPolarHBondContact O-CG 3.46Å; F134-Q137 PolarHBondContact O-NE2 2.92Å; Y135-Q137 PolarHBondContact O-N 3.48Å; Y135-Q137 VanDerWaalsContact O-N 3.08Å
138	F	98.7	Very high	95.9	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.026	25%	0.248	C	C	.	.			trans	-93.7	145.3	-174.3	-62	-74.1	0	0	0	111.2	K50 L52 D76 F134 Y135 R136 I141	K50-F138 HydrophobicContact CB-CD1 4.03Å; L52-F138 HydrophobicContact CB-CB 4.37Å; L52-F138 HydrophobicContact CB-CD1 3.7Å; L52-F138 HydrophobicContact CB-CD2 3.83Å; L52-F138 HydrophobicContact CB-CE1 3.89Å; L52-F138 HydrophobicContact CB-CE2 4.01Å; L52-F138 HydrophobicContact CB-CG 3.68Å; L52-F138 HydrophobicContact CB-CZ 4.04Å; L52-F138 HydrophobicContact CD1-CE1 4.39Å; L52-F138 HydrophobicContact CD1-CE2 4.18Å; L52-F138 HydrophobicContact CD1-CZ 3.96Å; L52-F138 HydrophobicContact CD2-CD2 4.04Å; L52-F138 HydrophobicContact CD2-CE2 3.93Å; L52-F138 HydrophobicContact CG-CD2 4.44Å; L52-F138 HydrophobicContact CG-CE2 4.26Å; L52-F138 HydrophobicContact CG-CZ 4.39Å; D76-F138 HydrophobicContact CB-CE1 3.6Å; D76-F138 HydrophobicContact CB-CZ 3.65Å; F134-F138 AromaticContact CD1-CE2 3.99Å; F134-F138 HydrophobicContact CD1-CE2 3.99Å; F134-F138 AromaticContact CE1-CE2 3.53Å; F134-F138 HydrophobicContact CE1-CE2 3.53Å; F134-F138 HydrophobicContact CE1-CZ 4.07Å; F134-F138 HydrophobicContact CE2-CE2 4.14Å; F134-F138 HydrophobicContact CE2-CZ 4.1Å; F134-F138 HydrophobicContact CG-CE2 4.47Å; F134-F138 AromaticContact CZ-CE2 3.63Å; F134-F138 HydrophobicContact CZ-CE2 3.63Å; F134-F138 AromaticContact CZ-CZ 3.68Å; F134-F138 HydrophobicContact CZ-CZ 3.68Å; F134-F138 WeakPolarHBondContact O-CD2 3.37Å; F134-F138 WeakPolarHBondContact O-CE2 3.34Å; Y135-F138 PolarHBondContact O-N 3.04Å; R136-F138 VanDerWaalsContact C-N 3.33Å; F138-I141 HydrophobicContact CB-CG1 4.29Å
139	H	98.8	Very high	95.8	Very high	76 Å²	76	46.5 Å²	46.5	35%	0.352	24%	0.243	S	C	.	.	S	Bend	trans	-83.6	-37	174.8	-59.2	81.5	0	0	0	110.6	T48 K50 P176	T48-H139 PolarHBondContact O-CE1 3.24Å; T48-H139 VanDerWaalsContact O-CE1 3.22Å; K50-H139 PolarHBondContact N-ND1 3.2Å; K50-H139 PolarHBondContact O-N 2.89Å; H139-P176 WeakPolarHBondContact O-CD 3.46Å
140	I	98.9	Very high	95.8	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.6	179.9	-55.7	170.1	0	0	0	108.7	I51 L52 V142 P176 V178 V307 L310 A311	I51-I140 WeakPolarHBondContact CA-O 3.44Å; I51-I140 HydrophobicContact CD1-CB 3.76Å; I51-I140 HydrophobicContact CD1-CD1 4.14Å; I51-I140 HydrophobicContact CD1-CG1 4.25Å; L52-I140 PolarHBondContact N-O 3.31Å; L52-I140 VanDerWaalsContact N-O 3.07Å; I140-V142 HydrophobicContact CG2-CG2 4.4Å; I140-P176 HydrophobicContact CG1-CB 4.49Å; I140-P176 HydrophobicContact CG2-CB 4.43Å; I140-V178 HydrophobicContact CG2-CG2 4.47Å; I140-V307 HydrophobicContact CD1-CG1 4.04Å; I140-V307 HydrophobicContact CG2-CG1 4.19Å; I140-V307 HydrophobicContact CG2-CG2 4.22Å; I140-L310 HydrophobicContact CD1-CB 3.73Å; I140-A311 HydrophobicContact CD1-CB 3.81Å
141	I	98.9	Very high	95.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.7	173.3	-56.4	-172	0	0	0	109.6	L52 I54 Y135 F138 M154 L158 I175 P176 L177 V178	L52-I141 HydrophobicContact CB-CG1 4.13Å; L52-I141 HydrophobicContact CB-CG2 4.34Å; L52-I141 HydrophobicContact CD2-CD1 4.08Å; L52-I141 HydrophobicContact CD2-CG1 4.35Å; L52-I141 HydrophobicContact CD2-CG2 4.18Å; L52-I141 HydrophobicContact CG-CG2 4.39Å; L52-I141 CarbonylContact O-C 3.58Å; L52-I141 WeakPolarHBondContact O-CA 3.25Å; I54-I141 HydrophobicContact CD1-CG2 3.61Å; I54-I141 HydrophobicContact CG1-CG2 4.01Å; Y135-I141 HydrophobicContact CD1-CD1 3.92Å; F138-I141 HydrophobicContact CB-CG1 4.29Å; I141-M154 HydrophobicContact CD1-CE 4.39Å; I141-L158 HydrophobicContact CD1-CD1 4.3Å; I141-L158 HydrophobicContact CD1-CD2 3.62Å; I141-L158 HydrophobicContact CD1-CG 4.33Å; I141-I175 HydrophobicContact CD1-CG2 4.25Å; I141-I175 HydrophobicContact CG1-CG2 3.87Å; I141-P176 PolarHBondContact N-O 2.92Å; I141-L177 HydrophobicContact CB-CD1 4.32Å; I141-L177 HydrophobicContact CG2-CD1 4.13Å; I141-L177 WeakPolarHBondContact O-CA 3.44Å; I141-V178 PolarHBondContact O-N 3.49Å
142	V	98.7	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.4	-179.5	-161.8	0	0	0	0	110.2	I51 L52 V53 I54 L63 I140 V178 C303 V307	I51-V142 HydrophobicContact CG2-CG2 3.94Å; L52-V142 PolarHBondContact O-N 3.33Å; V53-V142 CarbonylContact C-O 3.57Å; V53-V142 WeakPolarHBondContact CA-O 3.38Å; I54-V142 PolarHBondContact N-O 3.07Å; L63-V142 HydrophobicContact CD1-CG1 3.7Å; L63-V142 HydrophobicContact CD2-CG1 3.77Å; L63-V142 HydrophobicContact CG-CG1 4.36Å; I140-V142 HydrophobicContact CG2-CG2 4.4Å; V142-V178 CarbonylContact C-O 3.5Å; V142-V178 VanDerWaalsContact CA-O 3.22Å; V142-V178 WeakPolarHBondContact CA-O 3.27Å; V142-V178 HydrophobicContact CG1-CB 4.13Å; V142-V178 HydrophobicContact CG1-CG1 4.29Å; V142-C303 HydrophobicContact CG1-CB 4.34Å; V142-V307 HydrophobicContact CB-CG2 4.47Å; V142-V307 HydrophobicContact CG1-CG2 4.31Å; V142-V307 HydrophobicContact CG2-CG1 4.47Å; V142-V307 HydrophobicContact CG2-CG2 3.33Å
143	C	98.2	Very high	96	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126	-175.8	-74.4	0	0	0	0	112.2	L145 L177 V178 D179 G180	C143-L145 HydrophobicContact CB-CD1 4.18Å; C143-L145 HydrophobicContact CB-CG 4.3Å; C143-L177 HydrophobicContact CB-CD1 4.43Å; C143-V178 PolarHBondContact N-O 3.26Å; C143-D179 HydrophobicContact CB-CB 4.22Å; C143-D179 VanDerWaalsContact CB-OD1 3.32Å; C143-D179 WeakPolarHBondContact CB-OD1 3.27Å; C143-G180 PolarHBondContact O-N 2.75Å
144	G	95.3	Very high	96.1	Very high	13 Å²	13	30.5 Å²	30.5	13%	0.134	15%	0.154	C	C	.	.			trans	-117.6	47.9	163.6	0	0	0	0	0	111.7	I54 L59	I54-G144 PolarHBondContact O-N 3.05Å; L59-G144 VanDerWaalsContact CD2-CA 3.44Å
145	L	93.1	Very high	96	Very high	23 Å²	23	29.4 Å²	29.4	12%	0.12	15%	0.149	C	C	.	.			trans	-75	158.5	-178.2	-70.7	168.5	0	0	0	111.7	I54 C143 A150 R151 M154	I54-L145 HydrophobicContact CG2-CD1 4.21Å; I54-L145 HydrophobicContact CG2-CD2 3.57Å; I54-L145 HydrophobicContact CG2-CG 3.94Å; C143-L145 HydrophobicContact CB-CD1 4.18Å; C143-L145 HydrophobicContact CB-CG 4.3Å; L145-A150 HydrophobicContact CB-CB 4.48Å; L145-A150 HydrophobicContact CD1-CB 3.82Å; L145-A150 HydrophobicContact CD2-CB 3.84Å; L145-A150 HydrophobicContact CG-CB 4.27Å; L145-R151 HydrophobicContact CB-CG 4.01Å; L145-R151 HydrophobicContact CD1-CG 3.97Å; L145-R151 PolarHBondContact O-NH1 3.24Å; L145-R151 PolarHBondContact O-NH2 3.2Å; L145-M154 HydrophobicContact CD1-CG 4.09Å
146	D	89.6	Confident	95.9	Very high	125 Å²	125	29.4 Å²	29.4	67%	0.668	15%	0.149	S	C	*	.	S	Bend	trans	-112.8	-2	-179.5	65.3	-12.6	0	0	0	113.2
147	S	90.9	Very high	95.8	Very high	44 Å²	44	24.4 Å²	24.4	31%	0.308	13%	0.131	S	C	.	.			trans	-126.7	145.7	179.1	74.5	0	0	0	0	113	V149 A150 R151	S147-V149 VanDerWaalsContact C-N 3.31Å; S147-A150 WeakPolarHBondContact OG-CB 3.2Å; S147-A150 PolarHBondContact OG-N 3.17Å; S147-R151 WeakPolarHBondContact O-CG 3.06Å; S147-R151 PolarHBondContact O-N 2.97Å; S147-R151 PolarHBondContact O-NH1 3.33Å
148	I	91.7	Very high	95.8	Very high	38 Å²	38	21 Å²	21	20%	0.195	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-39.7	174.8	-59.4	173.9	0	0	0	110	A150 R151 R152 L204 Y207	I148-A150 PolarHBondContact O-N 3.39Å; I148-R151 PolarHBondContact O-N 3.12Å; I148-R152 HydrophobicContact CG2-CG 4.22Å; I148-R152 WeakPolarHBondContact O-CG 3.02Å; I148-R152 PolarHBondContact O-N 3.31Å; I148-L204 HydrophobicContact CG2-CD1 3.77Å; I148-Y207 HydrophobicContact CD1-CD1 3.55Å; I148-Y207 HydrophobicContact CD1-CD2 4.19Å; I148-Y207 HydrophobicContact CD1-CE1 4.16Å; I148-Y207 HydrophobicContact CD1-CG 3.56Å; I148-Y207 HydrophobicContact CG1-CD1 3.66Å; I148-Y207 HydrophobicContact CG1-CD2 4.39Å; I148-Y207 HydrophobicContact CG1-CE1 3.72Å; I148-Y207 HydrophobicContact CG1-CE2 4.45Å; I148-Y207 HydrophobicContact CG1-CG 4Å; I148-Y207 HydrophobicContact CG2-CD2 4.33Å; I148-Y207 HydrophobicContact CG2-CE2 4.22Å
149	V	92.3	Very high	95.7	Very high	43 Å²	43	21.2 Å²	21.2	26%	0.261	12%	0.117	S	C	.	.	H	α-helix	trans	-60.8	-45.9	-179.2	179.4	0	0	0	0	111.1	S147 R151 R152 W153 K377 T429	S147-V149 VanDerWaalsContact C-N 3.31Å; V149-R151 VanDerWaalsContact C-N 3.33Å; V149-R151 PolarHBondContact O-N 3.44Å; V149-R152 PolarHBondContact O-N 3.13Å; V149-W153 WeakPolarHBondContact O-CB 3.47Å; V149-W153 PolarHBondContact O-N 3.35Å; V149-K377 HydrophobicContact CG2-CG 4.23Å; V149-T429 HydrophobicContact CG1-CG2 4.44Å; V149-T429 HydrophobicContact CG2-CG2 4.48Å
150	A	94.2	Very high	95.4	Very high	10 Å²	10	19 Å²	19	8%	0.083	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-39	177.7	0	0	0	0	0	112	I127 L145 S147 I148 W153 M154	I127-A150 HydrophobicContact CD1-CB 3.83Å; L145-A150 HydrophobicContact CB-CB 4.48Å; L145-A150 HydrophobicContact CD1-CB 3.82Å; L145-A150 HydrophobicContact CD2-CB 3.84Å; L145-A150 HydrophobicContact CG-CB 4.27Å; S147-A150 WeakPolarHBondContact OG-CB 3.2Å; S147-A150 PolarHBondContact OG-N 3.17Å; I148-A150 PolarHBondContact O-N 3.39Å; A150-W153 PolarHBondContact O-N 3.42Å; A150-M154 PolarHBondContact O-N 3.2Å
151	R	97.1	Very high	95.3	Very high	17 Å²	17	18.9 Å²	18.9	6%	0.064	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-43.7	175.9	-71.9	179.7	171.1	90.7	-4.6	112.4	L145 S147 I148 V149 W153 M154 N155 D179 G180 V200 Y207	L145-R151 HydrophobicContact CB-CG 4.01Å; L145-R151 HydrophobicContact CD1-CG 3.97Å; L145-R151 PolarHBondContact O-NH1 3.24Å; L145-R151 PolarHBondContact O-NH2 3.2Å; S147-R151 WeakPolarHBondContact O-CG 3.06Å; S147-R151 PolarHBondContact O-N 2.97Å; S147-R151 PolarHBondContact O-NH1 3.33Å; I148-R151 PolarHBondContact O-N 3.12Å; V149-R151 VanDerWaalsContact C-N 3.33Å; V149-R151 PolarHBondContact O-N 3.44Å; R151-W153 VanDerWaalsContact C-N 3.33Å; R151-M154 PolarHBondContact O-N 3.2Å; R151-N155 WeakPolarHBondContact O-CB 3.46Å; R151-N155 PolarHBondContact O-N 2.87Å; R151-D179 WeakPolarHBondContact CD-OD1 3.48Å; R151-D179 IonicContact CZ-OD1 3.68Å; R151-D179 IonicContact NE-OD1 2.95Å; R151-D179 PolarHBondContact NE-OD1 2.86Å; R151-D179 IonicContact NE-OD2 3.78Å; R151-D179 PolarHBondContact NE-OD2 3.3Å; R151-G180 PolarHBondContact NH2-O 3.26Å; R151-V200 HydrophobicContact CB-CG1 4.22Å; R151-Y207 WeakPolarHBondContact CD-OH 3.39Å
152	R	95.6	Very high	95.1	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-39	175.3	-69	-176.8	74.2	-173.5	4.4	111.7	I148 V149 N155 G156 V200 D201 L204 L374 Q375 T429	I148-R152 HydrophobicContact CG2-CG 4.22Å; I148-R152 WeakPolarHBondContact O-CG 3.02Å; I148-R152 PolarHBondContact O-N 3.31Å; V149-R152 PolarHBondContact O-N 3.13Å; R152-N155 WeakPolarHBondContact O-CB 3.33Å; R152-N155 PolarHBondContact O-N 3.4Å; R152-G156 PolarHBondContact O-N 2.84Å; R152-V200 HydrophobicContact CG-CG1 4.17Å; R152-D201 IonicContact CZ-OD1 2.74Å; R152-D201 VanDerWaalsContact CZ-OD1 3.23Å; R152-D201 IonicContact NE-OD1 2.82Å; R152-D201 PolarHBondContact NE-OD1 3.1Å; R152-D201 IonicContact NE-OD2 2.71Å; R152-D201 IonicContact NH2-OD1 2.81Å; R152-D201 PolarHBondContact NH2-OD1 3.36Å; R152-L204 HydrophobicContact CG-CD1 4.48Å; R152-L374 VanDerWaalsContact CZ-O 3.23Å; R152-L374 PolarHBondContact NH1-O 3.28Å; R152-L374 PolarHBondContact NH2-O 2.97Å; R152-Q375 PolarHBondContact NH1-O 3.35Å; R152-Q375 VanDerWaalsContact NH1-O 3.09Å; R152-T429 CarbonylContact C-O 3.5Å; R152-T429 VanDerWaalsContact CB-O 3.23Å; R152-T429 WeakPolarHBondContact CB-O 3.21Å
153	W	96.5	Very high	94.8	Very high	21 Å²	21	22.7 Å²	22.7	8%	0.08	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-47.2	177.2	-170.4	94.2	0	0	0	111.4	I127 Q128 Y135 V149 A150 R151 N155 G156 M157 T429 P431	I127-W153 HydrophobicContact CB-CE3 4.16Å; I127-W153 HydrophobicContact CB-CZ3 3.93Å; I127-W153 HydrophobicContact CD1-CD2 4.43Å; I127-W153 HydrophobicContact CD1-CE3 3.76Å; I127-W153 HydrophobicContact CD1-CZ3 4.41Å; I127-W153 HydrophobicContact CG1-CD2 4.48Å; I127-W153 HydrophobicContact CG1-CE3 3.84Å; I127-W153 HydrophobicContact CG1-CZ3 4.11Å; I127-W153 WeakPolarHBondContact O-CH2 3.1Å; I127-W153 WeakPolarHBondContact O-CZ3 3.41Å; Q128-W153 HydrophobicContact CB-CZ2 4.24Å; Q128-W153 HydrophobicContact CG-CD2 3.97Å; Q128-W153 HydrophobicContact CG-CG 4.12Å; Q128-W153 HydrophobicContact CG-CZ2 4.22Å; Y135-W153 AromaticContact CE2-CH2 3.89Å; Y135-W153 HydrophobicContact CE2-CH2 3.89Å; Y135-W153 AromaticContact CE2-CZ3 3.96Å; Y135-W153 HydrophobicContact CE2-CZ3 3.96Å; Y135-W153 AromaticContact CZ-CZ3 3.96Å; V149-W153 WeakPolarHBondContact O-CB 3.47Å; V149-W153 PolarHBondContact O-N 3.35Å; A150-W153 PolarHBondContact O-N 3.42Å; R151-W153 VanDerWaalsContact C-N 3.33Å; W153-N155 VanDerWaalsContact C-N 3.3Å; W153-N155 PolarHBondContact O-N 3.26Å; W153-G156 PolarHBondContact O-N 2.83Å; W153-M157 HydrophobicContact CE3-CB 4.37Å; W153-M157 HydrophobicContact CH2-CB 4.45Å; W153-M157 HydrophobicContact CH2-CE 3.51Å; W153-M157 HydrophobicContact CH2-CG 4.48Å; W153-M157 HydrophobicContact CZ2-CE 3.82Å; W153-M157 HydrophobicContact CZ3-CB 4.1Å; W153-M157 HydrophobicContact CZ3-CE 4.27Å; W153-M157 HydrophobicContact CZ3-CG 4.34Å; W153-M157 PolarHBondContact O-N 2.82Å; W153-T429 WeakPolarHBondContact CA-O 3.49Å; W153-T429 PolarHBondContact N-O 3.1Å; W153-P431 HydrophobicContact CD2-CG 4.49Å; W153-P431 HydrophobicContact CZ2-CB 4.16Å; W153-P431 HydrophobicContact CZ2-CG 4.47Å; W153-P431 VanDerWaalsContact O-CD 3.24Å; W153-P431 WeakPolarHBondContact O-CD 3.33Å
154	M	97.6	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-38.4	174.9	-73.9	-48.7	-48.3	0	0	112.6	I54 I127 Y135 I141 L145 A150 R151 M157 L158	I54-M154 HydrophobicContact CD1-CE 3.4Å; I54-M154 VanDerWaalsContact CD1-CE 3.4Å; I54-M154 HydrophobicContact CD1-CG 3.82Å; I54-M154 HydrophobicContact CD1-SD 3.46Å; I54-M154 WeakPolarHBondContact CD1-SD 3.41Å; I127-M154 HydrophobicContact CB-SD 3.85Å; I127-M154 HydrophobicContact CD1-CG 3.72Å; I127-M154 HydrophobicContact CD1-SD 3.8Å; I127-M154 HydrophobicContact CG1-SD 4.32Å; I127-M154 HydrophobicContact CG2-SD 4.01Å; Y135-M154 HydrophobicContact CD1-CE 3.96Å; Y135-M154 HydrophobicContact CE1-CE 3.54Å; Y135-M154 HydrophobicContact CE1-SD 4.12Å; I141-M154 HydrophobicContact CD1-CE 4.39Å; L145-M154 HydrophobicContact CD1-CG 4.09Å; A150-M154 PolarHBondContact O-N 3.2Å; R151-M154 PolarHBondContact O-N 3.2Å; M154-M157 PolarHBondContact O-N 2.76Å; M154-L158 PolarHBondContact O-N 3.03Å
155	N	96.9	Very high	94.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.6	-51.2	174.6	-176.7	58.6	0	0	0	111.3	R151 R152 W153 M157 L158 L159 C199 V200 D201	R151-N155 WeakPolarHBondContact O-CB 3.46Å; R151-N155 PolarHBondContact O-N 2.87Å; R152-N155 WeakPolarHBondContact O-CB 3.33Å; R152-N155 PolarHBondContact O-N 3.4Å; W153-N155 VanDerWaalsContact C-N 3.3Å; W153-N155 PolarHBondContact O-N 3.26Å; N155-M157 VanDerWaalsContact C-N 3.34Å; N155-M157 PolarHBondContact O-N 2.78Å; N155-L158 PolarHBondContact O-N 2.75Å; N155-L159 WeakPolarHBondContact O-CB 3.34Å; N155-L159 WeakPolarHBondContact O-CD1 3.34Å; N155-L159 VanDerWaalsContact O-CG 3.26Å; N155-L159 WeakPolarHBondContact O-CG 3.42Å; N155-L159 PolarHBondContact O-N 2.75Å; N155-C199 PolarHBondContact ND2-SG 3.39Å; N155-C199 WeakPolarHBondContact OD1-CB 3.25Å; N155-V200 HydrophobicContact CB-CB 3.78Å; N155-V200 HydrophobicContact CB-CG2 3.75Å; N155-V200 PolarHBondContact OD1-N 3.19Å; N155-D201 PolarHBondContact ND2-OD2 2.9Å
156	G	95.3	Very high	93.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-35.6	177.9	0	0	0	0	0	113.3	R152 W153 L159 S160 Q432	R152-G156 PolarHBondContact O-N 2.84Å; W153-G156 PolarHBondContact O-N 2.83Å; G156-L159 PolarHBondContact O-N 2.91Å; G156-S160 PolarHBondContact O-N 3.42Å; G156-Q432 WeakPolarHBondContact O-CG 3.33Å; G156-Q432 PolarHBondContact O-NE2 3.13Å; G156-Q432 VanDerWaalsContact O-NE2 3.07Å
157	M	97	Very high	93.5	Very high	9 Å²	9	36 Å²	36	4%	0.044	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-52.8	174.3	176.2	53.4	70.8	0	0	110.4	E132 Y135 W153 M154 N155 L159 S160 L161 P431	E132-M157 HydrophobicContact CB-SD 4.5Å; E132-M157 HydrophobicContact CG-CE 4.36Å; E132-M157 HydrophobicContact CG-SD 3.82Å; Y135-M157 HydrophobicContact CD2-CE 4.04Å; Y135-M157 HydrophobicContact CD2-CG 3.49Å; Y135-M157 VanDerWaalsContact CD2-CG 3.49Å; Y135-M157 HydrophobicContact CD2-SD 3.72Å; Y135-M157 HydrophobicContact CE2-CE 4.09Å; Y135-M157 HydrophobicContact CE2-CG 3.89Å; Y135-M157 HydrophobicContact CE2-SD 4.31Å; Y135-M157 HydrophobicContact CG-CG 3.94Å; Y135-M157 HydrophobicContact CG-SD 4.49Å; W153-M157 HydrophobicContact CE3-CB 4.37Å; W153-M157 HydrophobicContact CH2-CB 4.45Å; W153-M157 HydrophobicContact CH2-CE 3.51Å; W153-M157 HydrophobicContact CH2-CG 4.48Å; W153-M157 HydrophobicContact CZ2-CE 3.82Å; W153-M157 HydrophobicContact CZ3-CB 4.1Å; W153-M157 HydrophobicContact CZ3-CE 4.27Å; W153-M157 HydrophobicContact CZ3-CG 4.34Å; W153-M157 PolarHBondContact O-N 2.82Å; M154-M157 PolarHBondContact O-N 2.76Å; N155-M157 VanDerWaalsContact C-N 3.34Å; N155-M157 PolarHBondContact O-N 2.78Å; M157-L159 VanDerWaalsContact C-N 3.3Å; M157-L159 PolarHBondContact O-N 3.48Å; M157-S160 PolarHBondContact O-N 2.92Å; M157-S160 PolarHBondContact O-OG 3.21Å; M157-L161 WeakPolarHBondContact O-CG 3.39Å; M157-L161 PolarHBondContact O-N 3.22Å; M157-L161 HydrophobicContact SD-CD2 4.31Å; M157-P431 HydrophobicContact CB-CG 3.97Å; M157-P431 HydrophobicContact CE-CB 4.34Å; M157-P431 HydrophobicContact CE-CG 4.35Å; M157-P431 VanDerWaalsContact N-CG 3.27Å
158	L	97.5	Very high	93.3	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-33.8	-179	-71.4	-177.9	0	0	0	113.4	I141 M154 N155 S160 L161 I175 L177 P194	I141-L158 HydrophobicContact CD1-CD1 4.3Å; I141-L158 HydrophobicContact CD1-CD2 3.62Å; I141-L158 HydrophobicContact CD1-CG 4.33Å; M154-L158 PolarHBondContact O-N 3.03Å; N155-L158 PolarHBondContact O-N 2.75Å; L158-S160 PolarHBondContact O-N 3.37Å; L158-L161 HydrophobicContact CD2-CD1 3.98Å; L158-L161 PolarHBondContact O-N 3.08Å; L158-I175 HydrophobicContact CD2-CB 3.95Å; L158-I175 HydrophobicContact CD2-CD1 4.36Å; L158-I175 HydrophobicContact CD2-CG2 4.18Å; L158-L177 HydrophobicContact CD1-CB 3.62Å; L158-L177 HydrophobicContact CD1-CD1 4.17Å; L158-L177 HydrophobicContact CD1-CD2 4.14Å; L158-L177 HydrophobicContact CD1-CG 4.18Å; L158-P194 HydrophobicContact CB-CG 3.9Å; L158-P194 HydrophobicContact CD1-CG 4.44Å
159	L	95.7	Very high	93.4	Very high	11 Å²	11	40 Å²	40	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-28.2	171.5	-70.7	165.8	0	0	0	112.2	N155 G156 M157 L161 L162 P194 A345 C346 Q432	N155-L159 WeakPolarHBondContact O-CB 3.34Å; N155-L159 WeakPolarHBondContact O-CD1 3.34Å; N155-L159 VanDerWaalsContact O-CG 3.26Å; N155-L159 WeakPolarHBondContact O-CG 3.42Å; N155-L159 PolarHBondContact O-N 2.75Å; G156-L159 PolarHBondContact O-N 2.91Å; M157-L159 VanDerWaalsContact C-N 3.3Å; M157-L159 PolarHBondContact O-N 3.48Å; L159-L161 PolarHBondContact O-N 3.08Å; L159-L162 HydrophobicContact CD2-CD1 3.91Å; L159-L162 WeakPolarHBondContact O-CB 3.24Å; L159-L162 PolarHBondContact O-N 3.2Å; L159-P194 HydrophobicContact CD2-CB 3.96Å; L159-P194 HydrophobicContact CG-CB 4.49Å; L159-A345 HydrophobicContact CD1-CB 3.82Å; L159-C346 HydrophobicContact CD1-CB 3.92Å; L159-C346 HydrophobicContact CD2-CB 3.59Å; L159-C346 HydrophobicContact CG-CB 4.44Å; L159-Q432 PolarHBondContact O-NE2 3.09Å
160	S	93.7	Very high	93.4	Very high	30 Å²	30	40.1 Å²	40.1	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-76.9	-18.4	-179.5	83.4	0	0	0	0	112	E132 G156 M157 L158 L162	E132-S160 PolarHBondContact OE1-OG 3.17Å; G156-S160 PolarHBondContact O-N 3.42Å; M157-S160 PolarHBondContact O-N 2.92Å; M157-S160 PolarHBondContact O-OG 3.21Å; L158-S160 PolarHBondContact O-N 3.37Å; S160-L162 VanDerWaalsContact C-N 3.3Å
161	L	95.1	Very high	93.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.1	178.6	-52.2	-174.7	0	0	0	113	E132 R136 M157 L158 L159 I175	E132-L161 HydrophobicContact CB-CD2 3.63Å; E132-L161 HydrophobicContact CG-CD2 3.75Å; R136-L161 HydrophobicContact CG-CD1 3.97Å; R136-L161 HydrophobicContact CG-CD2 3.86Å; R136-L161 HydrophobicContact CG-CG 4.34Å; R136-L161 PolarHBondContact NH1-O 2.86Å; M157-L161 WeakPolarHBondContact O-CG 3.39Å; M157-L161 PolarHBondContact O-N 3.22Å; M157-L161 HydrophobicContact SD-CD2 4.31Å; L158-L161 HydrophobicContact CD2-CD1 3.98Å; L158-L161 PolarHBondContact O-N 3.08Å; L159-L161 PolarHBondContact O-N 3.08Å; L161-I175 HydrophobicContact CD1-CD1 3.76Å
162	L	95	Very high	93.3	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.089	28%	0.281	C	S	.	.			trans	-63.6	136.7	-177.2	-65.1	-177.6	0	0	0	111.8	L159 S160 Y164 V169 V174 P194	L159-L162 HydrophobicContact CD2-CD1 3.91Å; L159-L162 WeakPolarHBondContact O-CB 3.24Å; L159-L162 PolarHBondContact O-N 3.2Å; S160-L162 VanDerWaalsContact C-N 3.3Å; L162-Y164 HydrophobicContact CB-CD2 4.45Å; L162-Y164 HydrophobicContact CB-CE2 3.81Å; L162-Y164 HydrophobicContact CD1-CE2 4.35Å; L162-V169 HydrophobicContact CB-CG2 4.46Å; L162-V169 HydrophobicContact CD1-CG2 4.36Å; L162-V169 HydrophobicContact CD2-CG2 3.89Å; L162-V169 HydrophobicContact CG-CG2 4.47Å; L162-V174 HydrophobicContact CD2-CB 4.43Å; L162-V174 HydrophobicContact CD2-CG2 3.8Å; L162-P194 HydrophobicContact CD1-CB 4.1Å; L162-P194 HydrophobicContact CD2-CB 4.15Å; L162-P194 HydrophobicContact CG-CB 4.36Å
163	V	93.5	Very high	93.3	Very high	63 Å²	63	52.2 Å²	52.2	38%	0.382	29%	0.285	S	S	.	.			trans	-107.5	134.3	171.4	-179.6	0	0	0	0	107.8	D170 S173	V163-D170 HydrophobicContact CB-CB 4.28Å; V163-D170 PolarHBondContact O-N 3.35Å; V163-S173 PolarHBondContact N-OG 3.05Å
164	Y	90.4	Very high	93.4	Very high	72 Å²	72	52.2 Å²	52.2	28%	0.282	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.9	178	-71.3	-91.3	0	0	0	109.8	L162 E168 V169 Q348	L162-Y164 HydrophobicContact CB-CD2 4.45Å; L162-Y164 HydrophobicContact CB-CE2 3.81Å; L162-Y164 HydrophobicContact CD1-CE2 4.35Å; Y164-E168 CarbonylContact C-O 3.46Å; Y164-E168 VanDerWaalsContact CA-O 3.28Å; Y164-E168 WeakPolarHBondContact CA-O 3.11Å; Y164-V169 HydrophobicContact CD1-CB 4.36Å; Y164-V169 HydrophobicContact CE1-CB 4.06Å; Y164-Q348 HydrophobicContact CD1-CG 4.45Å; Y164-Q348 HydrophobicContact CE1-CG 3.92Å; Y164-Q348 HydrophobicContact CE2-CG 4.42Å; Y164-Q348 PolarHBondContact OH-NE2 2.92Å
165	E	89.5	Confident	93.4	Very high	130 Å²	130	53 Å²	53	61%	0.607	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.1	174.4	-63.8	-168.9	165.5	0	0	108.2	G167 E168	E165-G167 PolarHBondContact O-N 3.38Å; E165-E168 PolarHBondContact N-O 2.92Å; E165-E168 PolarHBondContact O-N 3.12Å
166	D	85.4	Confident	93.5	Very high	176 Å²	176	54 Å²	54	94%	0.941	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	29.4	-178.1	-62.9	-35.8	0	0	0	115.3	E168	D166-E168 VanDerWaalsContact C-N 3.32Å
167	G	82.2	Confident	93.7	Very high	63 Å²	63	54.1 Å²	54.1	65%	0.649	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-5.9	179.5	0	0	0	0	0	114.7	E165	E165-G167 PolarHBondContact O-N 3.38Å
168	E	87.5	Confident	93.8	Very high	147 Å²	147	53.7 Å²	53.7	69%	0.687	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	152.3	172.8	-65.9	-63.4	155.1	0	0	110.5	Y164 E165 D166	Y164-E168 CarbonylContact C-O 3.46Å; Y164-E168 VanDerWaalsContact CA-O 3.28Å; Y164-E168 WeakPolarHBondContact CA-O 3.11Å; E165-E168 PolarHBondContact N-O 2.92Å; E165-E168 PolarHBondContact O-N 3.12Å; D166-E168 VanDerWaalsContact C-N 3.32Å
169	V	92.6	Very high	93.8	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.1	178.2	62.6	0	0	0	0	110.4	L162 Y164 Q171 V174 L196	L162-V169 HydrophobicContact CB-CG2 4.46Å; L162-V169 HydrophobicContact CD1-CG2 4.36Å; L162-V169 HydrophobicContact CD2-CG2 3.89Å; L162-V169 HydrophobicContact CG-CG2 4.47Å; Y164-V169 HydrophobicContact CD1-CB 4.36Å; Y164-V169 HydrophobicContact CE1-CB 4.06Å; V169-Q171 PolarHBondContact O-N 2.96Å; V169-Q171 VanDerWaalsContact O-N 3.17Å; V169-V174 HydrophobicContact CG2-CG2 3.88Å; V169-L196 HydrophobicContact CG1-CD2 3.38Å; V169-L196 HydrophobicContact CG1-CG 3.95Å
170	D	94.2	Very high	93.9	Very high	46 Å²	46	53.1 Å²	53.1	25%	0.246	29%	0.293	C	S	.	.			trans	-68.7	110.7	167	171.5	13.1	0	0	0	108.7	V163 T172 S173	V163-D170 HydrophobicContact CB-CB 4.28Å; V163-D170 PolarHBondContact O-N 3.35Å; D170-T172 VanDerWaalsContact CG-OG1 3.25Å; D170-T172 PolarHBondContact O-N 2.76Å; D170-T172 VanDerWaalsContact O-N 3.12Å; D170-T172 WeakPolarHBondContact OD1-CB 3.35Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.15Å; D170-T172 PolarHBondContact OD1-N 2.56Å; D170-T172 PolarHBondContact OD1-OG1 3.06Å; D170-T172 PolarHBondContact OD2-OG1 3.32Å; D170-S173 WeakPolarHBondContact O-CB 3.47Å; D170-S173 PolarHBondContact O-N 3.09Å; D170-S173 PolarHBondContact O-OG 3.25Å
171	Q	93.4	Very high	94	Very high	146 Å²	146	52 Å²	52	68%	0.682	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-61.1	-22.4	-177.6	-62.8	-172.3	22.4	0	0	113	V169 S173 V174	V169-Q171 PolarHBondContact O-N 2.96Å; V169-Q171 VanDerWaalsContact O-N 3.17Å; Q171-S173 PolarHBondContact O-N 3.09Å; Q171-V174 WeakPolarHBondContact O-CB 3.14Å; Q171-V174 PolarHBondContact O-N 3.47Å
172	T	94.9	Very high	94.1	Very high	126 Å²	126	53.6 Å²	53.6	77%	0.773	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-72.6	-20.4	177	76.6	0	0	0	0	113	D170 V174	D170-T172 VanDerWaalsContact CG-OG1 3.25Å; D170-T172 PolarHBondContact O-N 2.76Å; D170-T172 VanDerWaalsContact O-N 3.12Å; D170-T172 WeakPolarHBondContact OD1-CB 3.35Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.15Å; D170-T172 PolarHBondContact OD1-N 2.56Å; D170-T172 PolarHBondContact OD1-OG1 3.06Å; D170-T172 PolarHBondContact OD2-OG1 3.32Å; T172-V174 VanDerWaalsContact C-N 3.34Å
173	S	96.1	Very high	94	Very high	15 Å²	15	57.7 Å²	57.7	11%	0.105	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-83.3	-11.3	173.5	75.1	0	0	0	0	113.4	V163 D170 Q171 I175	V163-S173 PolarHBondContact N-OG 3.05Å; D170-S173 WeakPolarHBondContact O-CB 3.47Å; D170-S173 PolarHBondContact O-N 3.09Å; D170-S173 PolarHBondContact O-OG 3.25Å; Q171-S173 PolarHBondContact O-N 3.09Å; S173-I175 PolarHBondContact O-N 3.21Å
174	V	97.8	Very high	94	Very high	21 Å²	21	55.4 Å²	55.4	13%	0.127	31%	0.305	C	S	.	.			trans	-79.5	118.3	-177.8	-179.1	0	0	0	0	109.5	L162 V169 Q171 T172 P176 L193	L162-V174 HydrophobicContact CD2-CB 4.43Å; L162-V174 HydrophobicContact CD2-CG2 3.8Å; V169-V174 HydrophobicContact CG2-CG2 3.88Å; Q171-V174 WeakPolarHBondContact O-CB 3.14Å; Q171-V174 PolarHBondContact O-N 3.47Å; T172-V174 VanDerWaalsContact C-N 3.34Å; V174-P176 WeakPolarHBondContact O-CD 3.43Å; V174-L193 HydrophobicContact CG1-CB 4.41Å
175	I	98.6	Very high	94.2	Very high	17 Å²	17	56.8 Å²	56.8	9%	0.087	31%	0.312	C	S	.	.			trans	-102.3	110.4	169.3	-56.9	179.7	0	0	0	107.9	Y135 I141 L158 L161 S173 L177 P194	Y135-I175 WeakPolarHBondContact O-CD1 3.46Å; I141-I175 HydrophobicContact CD1-CG2 4.25Å; I141-I175 HydrophobicContact CG1-CG2 3.87Å; L158-I175 HydrophobicContact CD2-CB 3.95Å; L158-I175 HydrophobicContact CD2-CD1 4.36Å; L158-I175 HydrophobicContact CD2-CG2 4.18Å; L161-I175 HydrophobicContact CD1-CD1 3.76Å; S173-I175 PolarHBondContact O-N 3.21Å; I175-L177 PolarHBondContact O-N 2.99Å; I175-P194 WeakPolarHBondContact O-CD 3.4Å
176	P	98.6	Very high	94.6	Very high	21 Å²	21	56.1 Å²	56.1	14%	0.136	31%	0.307	C	S	.	.			trans	-56.1	136	175.9	-27.2	35.1	0	0	0	112.6	H139 I140 I141 V174 L193 L310	H139-P176 WeakPolarHBondContact O-CD 3.46Å; I140-P176 HydrophobicContact CG1-CB 4.49Å; I140-P176 HydrophobicContact CG2-CB 4.43Å; I141-P176 PolarHBondContact N-O 2.92Å; V174-P176 WeakPolarHBondContact O-CD 3.43Å; P176-L193 HydrophobicContact CB-CD2 3.79Å; P176-L193 HydrophobicContact CG-CD2 3.83Å; P176-L310 HydrophobicContact CB-CD1 3.96Å; P176-L310 HydrophobicContact CB-CD2 4.38Å
177	L	98.7	Very high	95.1	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.4	175.1	173.8	63.5	0	0	0	109.8	I141 C143 L158 I175 I192	I141-L177 HydrophobicContact CB-CD1 4.32Å; I141-L177 HydrophobicContact CG2-CD1 4.13Å; I141-L177 WeakPolarHBondContact O-CA 3.44Å; C143-L177 HydrophobicContact CB-CD1 4.43Å; L158-L177 HydrophobicContact CD1-CB 3.62Å; L158-L177 HydrophobicContact CD1-CD1 4.17Å; L158-L177 HydrophobicContact CD1-CD2 4.14Å; L158-L177 HydrophobicContact CD1-CG 4.18Å; I175-L177 PolarHBondContact O-N 2.99Å; L177-I192 HydrophobicContact CB-CB 4.15Å; L177-I192 HydrophobicContact CD2-CD1 4.06Å; L177-I192 PolarHBondContact N-O 3.47Å; L177-I192 PolarHBondContact O-N 2.92Å
178	V	98.8	Very high	95.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.4	169.2	-178.2	0	0	0	0	108.3	I140 I141 V142 C143 R190 V191 C303 E306 V307 L310	I140-V178 HydrophobicContact CG2-CG2 4.47Å; I141-V178 PolarHBondContact O-N 3.49Å; V142-V178 CarbonylContact C-O 3.5Å; V142-V178 VanDerWaalsContact CA-O 3.22Å; V142-V178 WeakPolarHBondContact CA-O 3.27Å; V142-V178 HydrophobicContact CG1-CB 4.13Å; V142-V178 HydrophobicContact CG1-CG1 4.29Å; C143-V178 PolarHBondContact N-O 3.26Å; V178-R190 CarbonylContact C-O 3.57Å; V178-R190 WeakPolarHBondContact CA-O 3.49Å; V178-V191 HydrophobicContact CG2-CG2 4.37Å; V178-C303 HydrophobicContact CG1-CB 3.61Å; V178-E306 HydrophobicContact CG1-CB 4.47Å; V178-E306 HydrophobicContact CG2-CB 4.41Å; V178-V307 HydrophobicContact CB-CG2 4.14Å; V178-V307 HydrophobicContact CG1-CG2 4.46Å; V178-V307 HydrophobicContact CG2-CG2 3.86Å; V178-L310 HydrophobicContact CG2-CD1 3.68Å
179	D	98.6	Very high	96.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.9	-178.3	175.5	77.7	0	0	0	110.8	C143 R151 A189 R190	C143-D179 HydrophobicContact CB-CB 4.22Å; C143-D179 VanDerWaalsContact CB-OD1 3.32Å; C143-D179 WeakPolarHBondContact CB-OD1 3.27Å; R151-D179 WeakPolarHBondContact CD-OD1 3.48Å; R151-D179 IonicContact CZ-OD1 3.68Å; R151-D179 IonicContact NE-OD1 2.95Å; R151-D179 PolarHBondContact NE-OD1 2.86Å; R151-D179 IonicContact NE-OD2 3.78Å; R151-D179 PolarHBondContact NE-OD2 3.3Å; D179-A189 CarbonylContact O-C 3.57Å; D179-A189 WeakPolarHBondContact O-CA 3.45Å; D179-R190 HydrophobicContact CB-CG 3.87Å; D179-R190 PolarHBondContact N-O 3.48Å; D179-R190 WeakPolarHBondContact O-CG 3.42Å; D179-R190 PolarHBondContact O-N 3.38Å; D179-R190 IonicContact OD2-CZ 2.59Å; D179-R190 IonicContact OD2-NE 3.53Å; D179-R190 PolarHBondContact OD2-NE 2.85Å; D179-R190 IonicContact OD2-NH2 3.88Å; D179-R190 PolarHBondContact OD2-NH2 3.47Å
180	G	97.9	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.2	173.9	0	0	0	0	0	112	C143 R151 N188	C143-G180 PolarHBondContact O-N 2.75Å; R151-G180 PolarHBondContact NH2-O 3.26Å; G180-N188 CarbonylContact C-O 3.56Å; G180-N188 VanDerWaalsContact CA-O 3.3Å; G180-N188 WeakPolarHBondContact CA-O 3.21Å
181	G	96.3	Very high	96.8	Very high	7 Å²	7	36.7 Å²	36.7	7%	0.072	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.2	176.3	0	0	0	0	0	111.5	G187 N188	G181-G187 CarbonylContact O-C 3.59Å; G181-G187 WeakPolarHBondContact O-CA 3.23Å; G181-N188 PolarHBondContact N-O 2.85Å; G181-N188 PolarHBondContact O-N 2.78Å
182	T	95.6	Very high	97	Very high	35 Å²	35	29.8 Å²	29.8	22%	0.215	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	135.5	-179.5	63.9	0	0	0	0	111.2	L59 K186 T295 N296 I299	L59-T182 HydrophobicContact CD1-CG2 4.22Å; T182-K186 WeakPolarHBondContact CA-O 3.4Å; T182-T295 HydrophobicContact CG2-CG2 4.13Å; T182-N296 PolarHBondContact OG1-OD1 2.65Å; T182-I299 HydrophobicContact CG2-CB 3.97Å; T182-I299 HydrophobicContact CG2-CG1 3.81Å; T182-I299 HydrophobicContact CG2-CG2 4.4Å
183	E	93.3	Very high	97.2	Very high	102 Å²	102	26 Å²	26	48%	0.477	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	114.6	171.8	-60	-169.9	-179.3	0	0	109.7	F185 K186 I289	E183-F185 PolarHBondContact O-N 3.1Å; E183-F185 VanDerWaalsContact O-N 3.14Å; E183-K186 PolarHBondContact N-O 2.55Å; E183-K186 PolarHBondContact O-N 2.95Å; E183-I289 HydrophobicContact CB-CG2 3.91Å; E183-I289 HydrophobicContact CG-CG2 3.78Å
184	G	93.1	Very high	97.2	Very high	16 Å²	16	25.3 Å²	25.3	17%	0.165	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	57	-117.7	-176.2	0	0	0	0	0	111.7	P290 T295	G184-P290 WeakPolarHBondContact CA-O 3.3Å; G184-P290 PolarHBondContact N-O 3.43Å; G184-T295 WeakPolarHBondContact O-CB 3.4Å; G184-T295 PolarHBondContact O-OG1 2.9Å; G184-T295 VanDerWaalsContact O-OG1 3.09Å
185	F	95.9	Very high	97	Very high	100 Å²	100	24.6 Å²	24.6	44%	0.439	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	14.3	177.6	-61.4	-66.8	0	0	0	113.4	E183 V292 D326 V327	E183-F185 PolarHBondContact O-N 3.1Å; E183-F185 VanDerWaalsContact O-N 3.14Å; F185-V292 HydrophobicContact CD1-CG2 4.15Å; F185-V292 HydrophobicContact CE1-CG2 4.02Å; F185-D326 HydrophobicContact CB-CB 4.4Å; F185-D326 PolarHBondContact O-N 2.95Å; F185-V327 HydrophobicContact CB-CG2 3.92Å
186	K	96.7	Very high	96.8	Very high	117 Å²	117	27.3 Å²	27.3	51%	0.509	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.4	177.6	-61.7	179.8	-177.9	178.5	0	110	T182 E183 T295 F324 N325	T182-K186 WeakPolarHBondContact CA-O 3.4Å; E183-K186 PolarHBondContact N-O 2.55Å; E183-K186 PolarHBondContact O-N 2.95Å; K186-T295 WeakPolarHBondContact O-CG2 3.41Å; K186-F324 WeakPolarHBondContact CA-O 3.31Å; K186-N325 HydrophobicContact CG-CB 4.41Å
187	G	97.1	Very high	96.7	Very high	8 Å²	8	28.2 Å²	28.2	8%	0.082	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	174.4	172.7	0	0	0	0	0	112.2	G181 F324	G181-G187 CarbonylContact O-C 3.59Å; G181-G187 WeakPolarHBondContact O-CA 3.23Å; G187-F324 PolarHBondContact N-O 3.33Å; G187-F324 PolarHBondContact O-N 3.23Å
188	N	97.6	Very high	96.6	Very high	26 Å²	26	28.1 Å²	28.1	14%	0.139	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149.2	175.5	65.9	-79.1	0	0	0	110.5	G180 G181 I299 Y321 M322	G180-N188 CarbonylContact C-O 3.56Å; G180-N188 VanDerWaalsContact CA-O 3.3Å; G180-N188 WeakPolarHBondContact CA-O 3.21Å; G181-N188 PolarHBondContact N-O 2.85Å; G181-N188 PolarHBondContact O-N 2.78Å; N188-I299 WeakPolarHBondContact O-CG2 3.39Å; N188-Y321 HydrophobicContact CB-CE1 3.65Å; N188-Y321 PolarHBondContact ND2-OH 2.98Å; N188-M322 CarbonylContact C-O 3.56Å; N188-M322 WeakPolarHBondContact CA-O 3.47Å; N188-M322 VanDerWaalsContact CB-O 3.29Å; N188-M322 WeakPolarHBondContact CB-O 3.41Å
189	A	98.3	Very high	96.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.7	169.5	0	0	0	0	0	108.1	D179 I299 A302 M322	D179-A189 CarbonylContact O-C 3.57Å; D179-A189 WeakPolarHBondContact O-CA 3.45Å; A189-I299 HydrophobicContact CB-CG2 4.36Å; A189-A302 HydrophobicContact CB-CB 3.89Å; A189-M322 PolarHBondContact N-O 3.31Å; A189-M322 PolarHBondContact O-N 3.24Å
190	R	97.2	Very high	96.4	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.9	177.9	58.7	-174.5	166.9	165.2	7.5	112.9	V178 D179 I192 T203 Y207 N320 Y321	V178-R190 CarbonylContact C-O 3.57Å; V178-R190 WeakPolarHBondContact CA-O 3.49Å; D179-R190 HydrophobicContact CB-CG 3.87Å; D179-R190 PolarHBondContact N-O 3.48Å; D179-R190 WeakPolarHBondContact O-CG 3.42Å; D179-R190 PolarHBondContact O-N 3.38Å; D179-R190 IonicContact OD2-CZ 2.59Å; D179-R190 IonicContact OD2-NE 3.53Å; D179-R190 PolarHBondContact OD2-NE 2.85Å; D179-R190 IonicContact OD2-NH2 3.88Å; D179-R190 PolarHBondContact OD2-NH2 3.47Å; R190-I192 HydrophobicContact CG-CD1 4.4Å; R190-T203 PolarHBondContact NH1-OG1 3.33Å; R190-Y207 PolarHBondContact NH2-OH 2.97Å; R190-N320 CarbonylContact C-O 3.51Å; R190-N320 WeakPolarHBondContact CA-O 3.14Å; R190-N320 WeakPolarHBondContact CB-O 3.37Å; R190-Y321 HydrophobicContact CB-CD2 4.06Å; R190-Y321 HydrophobicContact CB-CE2 4.42Å; R190-Y321 HydrophobicContact CB-CG 4.48Å
191	V	98.6	Very high	96.2	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.1	175.2	179	0	0	0	0	108.1	V178 E306 L310 L318 N320	V178-V191 HydrophobicContact CG2-CG2 4.37Å; V191-E306 HydrophobicContact CG2-CB 3.63Å; V191-E306 HydrophobicContact CG2-CG 3.69Å; V191-L310 HydrophobicContact CG1-CD1 3.99Å; V191-L310 HydrophobicContact CG1-CD2 4.4Å; V191-L318 HydrophobicContact CG2-CB 3.96Å; V191-L318 HydrophobicContact CG2-CD2 4.41Å; V191-N320 PolarHBondContact N-O 3.24Å
192	I	98.6	Very high	96.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.1	-178	-59.8	170.5	0	0	0	107.4	L177 R190 P194 C199 V200	L177-I192 HydrophobicContact CB-CB 4.15Å; L177-I192 HydrophobicContact CD2-CD1 4.06Å; L177-I192 PolarHBondContact N-O 3.47Å; L177-I192 PolarHBondContact O-N 2.92Å; R190-I192 HydrophobicContact CG-CD1 4.4Å; I192-P194 WeakPolarHBondContact O-CD 3.4Å; I192-C199 HydrophobicContact CG2-CB 4.42Å; I192-V200 HydrophobicContact CD1-CG2 3.58Å
193	L	98	Very high	96.1	Very high	48 Å²	48	27.4 Å²	27.4	25%	0.251	14%	0.142	S	C	.	.			trans	-104.7	99.7	167.5	-57.3	179.6	0	0	0	107.2	V174 P176 G195 L196 T197 L310	V174-L193 HydrophobicContact CG1-CB 4.41Å; P176-L193 HydrophobicContact CB-CD2 3.79Å; P176-L193 HydrophobicContact CG-CD2 3.83Å; L193-G195 PolarHBondContact O-N 2.89Å; L193-L196 HydrophobicContact CB-CB 4.02Å; L193-L196 HydrophobicContact CB-CD1 4.29Å; L193-L196 PolarHBondContact O-N 3.05Å; L193-T197 HydrophobicContact CB-CG2 4.04Å; L193-T197 HydrophobicContact CD1-CG2 4.24Å; L193-T197 HydrophobicContact CG-CG2 4.23Å; L193-T197 PolarHBondContact N-OG1 3Å; L193-T197 PolarHBondContact O-N 3.11Å; L193-T197 PolarHBondContact O-OG1 2.98Å; L193-L310 HydrophobicContact CD2-CD2 4.27Å
194	P	96.8	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	132.5	-177	-27.8	34.1	0	0	0	112.1	L158 L159 L162 I175 I192 L196	L158-P194 HydrophobicContact CB-CG 3.9Å; L158-P194 HydrophobicContact CD1-CG 4.44Å; L159-P194 HydrophobicContact CD2-CB 3.96Å; L159-P194 HydrophobicContact CG-CB 4.49Å; L162-P194 HydrophobicContact CD1-CB 4.1Å; L162-P194 HydrophobicContact CD2-CB 4.15Å; L162-P194 HydrophobicContact CG-CB 4.36Å; I175-P194 WeakPolarHBondContact O-CD 3.4Å; I192-P194 WeakPolarHBondContact O-CD 3.4Å; P194-L196 PolarHBondContact O-N 3.45Å
195	G	93.3	Very high	95.8	Very high	5 Å²	5	26.9 Å²	26.9	5%	0.052	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-15.5	-178.4	0	0	0	0	0	115.5	L193 R339	L193-G195 PolarHBondContact O-N 2.89Å; G195-R339 PolarHBondContact O-NH1 3.18Å; G195-R339 PolarHBondContact O-NH2 3.26Å
196	L	94.4	Very high	95.5	Very high	75 Å²	75	26.7 Å²	26.7	39%	0.393	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-54	-177.7	-63.2	174.8	0	0	0	112.3	V169 L193 P194	V169-L196 HydrophobicContact CG1-CD2 3.38Å; V169-L196 HydrophobicContact CG1-CG 3.95Å; L193-L196 HydrophobicContact CB-CB 4.02Å; L193-L196 HydrophobicContact CB-CD1 4.29Å; L193-L196 PolarHBondContact O-N 3.05Å; P194-L196 PolarHBondContact O-N 3.45Å
197	T	96.3	Very high	95	Very high	39 Å²	39	23.1 Å²	23.1	24%	0.239	12%	0.122	C	C	.	.	S	Bend	trans	-101.7	175.8	-177.6	65.4	0	0	0	0	112.1	L193 C199	L193-T197 HydrophobicContact CB-CG2 4.04Å; L193-T197 HydrophobicContact CD1-CG2 4.24Å; L193-T197 HydrophobicContact CG-CG2 4.23Å; L193-T197 PolarHBondContact N-OG1 3Å; L193-T197 PolarHBondContact O-N 3.11Å; L193-T197 PolarHBondContact O-OG1 2.98Å; T197-C199 PolarHBondContact O-N 3.23Å
198	A	97.3	Very high	94.4	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.017	14%	0.142	C	C	.	.			trans	-58.1	128.4	170.2	0	0	0	0	0	111.2	C202 N320 A337 R339	A198-C202 HydrophobicContact CB-CB 3.89Å; A198-N320 PolarHBondContact O-ND2 2.9Å; A198-A337 HydrophobicContact CB-CB 4.07Å; A198-A337 VanDerWaalsContact CB-O 3.25Å; A198-A337 WeakPolarHBondContact CB-O 3.24Å; A198-R339 HydrophobicContact CB-CB 4.4Å
199	C	96.7	Very high	93.4	Very high	1 Å²	1	31 Å²	31	1%	0.007	17%	0.173	C	C	.	.			trans	-90.4	-178.4	179.4	82	0	0	0	0	111.8	N155 I192 T197 D201 C202 T203 C343 C346	N155-C199 PolarHBondContact ND2-SG 3.39Å; N155-C199 WeakPolarHBondContact OD1-CB 3.25Å; I192-C199 HydrophobicContact CG2-CB 4.42Å; T197-C199 PolarHBondContact O-N 3.23Å; C199-D201 VanDerWaalsContact C-N 3.31Å; C199-D201 PolarHBondContact O-N 2.89Å; C199-D201 PolarHBondContact SG-N 3.23Å; C199-C202 PolarHBondContact N-SG 2.93Å; C199-C202 WeakPolarHBondContact O-CB 3.49Å; C199-C202 PolarHBondContact O-N 2.96Å; C199-C202 VanDerWaalsContact SG-SG 3.66Å; C199-T203 PolarHBondContact O-OG1 3.46Å; C199-C343 VanDerWaalsContact SG-SG 3.66Å; C199-C346 HydrophobicContact CB-CB 4.12Å; C199-C346 VanDerWaalsContact SG-SG 3.64Å
200	V	96	Very high	92.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-44.4	178.3	177.4	0	0	0	0	111.4	R151 R152 N155 I192 C202 T203 L204	R151-V200 HydrophobicContact CB-CG1 4.22Å; R152-V200 HydrophobicContact CG-CG1 4.17Å; N155-V200 HydrophobicContact CB-CB 3.78Å; N155-V200 HydrophobicContact CB-CG2 3.75Å; N155-V200 PolarHBondContact OD1-N 3.19Å; I192-V200 HydrophobicContact CD1-CG2 3.58Å; V200-C202 VanDerWaalsContact C-N 3.32Å; V200-C202 PolarHBondContact O-N 3.4Å; V200-T203 CarbonylContact O-C 3.56Å; V200-T203 PolarHBondContact O-N 3.31Å; V200-T203 PolarHBondContact O-OG1 2.85Å; V200-L204 PolarHBondContact O-N 3.4Å
201	D	94.4	Very high	91.2	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.064	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-71.5	-23.8	-178.6	-69.2	-108.8	0	0	0	112.9	R152 N155 C199 T203 L204 A345	R152-D201 IonicContact CZ-OD1 2.74Å; R152-D201 VanDerWaalsContact CZ-OD1 3.23Å; R152-D201 IonicContact NE-OD1 2.82Å; R152-D201 PolarHBondContact NE-OD1 3.1Å; R152-D201 IonicContact NE-OD2 2.71Å; R152-D201 IonicContact NH2-OD1 2.81Å; R152-D201 PolarHBondContact NH2-OD1 3.36Å; N155-D201 PolarHBondContact ND2-OD2 2.9Å; C199-D201 VanDerWaalsContact C-N 3.31Å; C199-D201 PolarHBondContact O-N 2.89Å; C199-D201 PolarHBondContact SG-N 3.23Å; D201-T203 PolarHBondContact O-N 3.3Å; D201-L204 PolarHBondContact O-N 3.12Å; D201-A345 HydrophobicContact CB-CB 3.83Å
202	C	95.3	Very high	90.3	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.034	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.4	-32.4	171.2	-67.1	0	0	0	0	111.9	A198 C199 V200 K340 C343 C346	A198-C202 HydrophobicContact CB-CB 3.89Å; C199-C202 PolarHBondContact N-SG 2.93Å; C199-C202 WeakPolarHBondContact O-CB 3.49Å; C199-C202 PolarHBondContact O-N 2.96Å; C199-C202 VanDerWaalsContact SG-SG 3.66Å; V200-C202 VanDerWaalsContact C-N 3.32Å; V200-C202 PolarHBondContact O-N 3.4Å; C202-K340 HydrophobicContact CB-CG 4.44Å; C202-K340 WeakPolarHBondContact O-CD 3.21Å; C202-K340 WeakPolarHBondContact O-CE 3.33Å; C202-K340 PolarHBondContact O-NZ 2.88Å; C202-C343 VanDerWaalsContact SG-SG 3.63Å; C202-C346 VanDerWaalsContact SG-SG 3.63Å
203	T	94.1	Very high	89.6	Confident	11 Å²	11	49.4 Å²	49.4	7%	0.067	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-110.4	17.1	-173.9	51.9	0	0	0	0	113.2	R190 C199 V200 D201 E205 L206 A337	R190-T203 PolarHBondContact NH1-OG1 3.33Å; C199-T203 PolarHBondContact O-OG1 3.46Å; V200-T203 CarbonylContact O-C 3.56Å; V200-T203 PolarHBondContact O-N 3.31Å; V200-T203 PolarHBondContact O-OG1 2.85Å; D201-T203 PolarHBondContact O-N 3.3Å; T203-E205 PolarHBondContact O-N 2.75Å; T203-E205 VanDerWaalsContact O-N 3.14Å; T203-L206 HydrophobicContact CG2-CD1 3.95Å; T203-L206 WeakPolarHBondContact O-CB 3.26Å; T203-L206 PolarHBondContact O-N 2.89Å; T203-A337 HydrophobicContact CG2-CB 3.71Å
204	L	91.1	Very high	89	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31	-176.1	-172	61.2	0	0	0	113.5	I148 R152 V200 D201 L206 Y207 Q375	I148-L204 HydrophobicContact CG2-CD1 3.77Å; R152-L204 HydrophobicContact CG-CD1 4.48Å; V200-L204 PolarHBondContact O-N 3.4Å; D201-L204 PolarHBondContact O-N 3.12Å; L204-L206 PolarHBondContact O-N 3.07Å; L204-Y207 HydrophobicContact CD1-CD2 4.07Å; L204-Y207 HydrophobicContact CD1-CE2 4.38Å; L204-Y207 WeakPolarHBondContact O-CD2 3.35Å; L204-Y207 PolarHBondContact O-N 3.46Å; L204-Q375 HydrophobicContact CD2-CB 4.17Å; L204-Q375 HydrophobicContact CD2-CG 4.21Å
205	E	87.6	Confident	88.5	Confident	104 Å²	104	55.7 Å²	55.7	49%	0.486	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-72	-13.6	178.6	-68	154.2	-163	0	0	113.4	T203 Y207 K340	T203-E205 PolarHBondContact O-N 2.75Å; T203-E205 VanDerWaalsContact O-N 3.14Å; E205-Y207 VanDerWaalsContact C-N 3.27Å; E205-K340 IonicContact OE1-NZ 3.47Å; E205-K340 PolarHBondContact OE1-NZ 3.24Å; E205-K340 IonicContact OE2-NZ 2.73Å; E205-K340 PolarHBondContact OE2-NZ 3.43Å
206	L	89.4	Confident	88.2	Confident	97 Å²	97	59.5 Å²	59.5	51%	0.508	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-76.1	-17.6	175.6	-59.8	-175.2	0	0	0	112.4	T203 L204 Y321 F335	T203-L206 HydrophobicContact CG2-CD1 3.95Å; T203-L206 WeakPolarHBondContact O-CB 3.26Å; T203-L206 PolarHBondContact O-N 2.89Å; L204-L206 PolarHBondContact O-N 3.07Å; L206-Y321 HydrophobicContact CD1-CE2 4.12Å; L206-F335 HydrophobicContact CD1-CZ 4.26Å
207	Y	87.6	Confident	88.1	Confident	42 Å²	42	57.1 Å²	57.1	17%	0.165	31%	0.314	C	S	.	.	S	Bend	trans	-68.6	139.4	174	-73.7	-79.3	0	0	0	110.4	I148 R151 R190 L204 E205	I148-Y207 HydrophobicContact CD1-CD1 3.55Å; I148-Y207 HydrophobicContact CD1-CD2 4.19Å; I148-Y207 HydrophobicContact CD1-CE1 4.16Å; I148-Y207 HydrophobicContact CD1-CG 3.56Å; I148-Y207 HydrophobicContact CG1-CD1 3.66Å; I148-Y207 HydrophobicContact CG1-CD2 4.39Å; I148-Y207 HydrophobicContact CG1-CE1 3.72Å; I148-Y207 HydrophobicContact CG1-CE2 4.45Å; I148-Y207 HydrophobicContact CG1-CG 4Å; I148-Y207 HydrophobicContact CG2-CD2 4.33Å; I148-Y207 HydrophobicContact CG2-CE2 4.22Å; R151-Y207 WeakPolarHBondContact CD-OH 3.39Å; R190-Y207 PolarHBondContact NH2-OH 2.97Å; L204-Y207 HydrophobicContact CD1-CD2 4.07Å; L204-Y207 HydrophobicContact CD1-CE2 4.38Å; L204-Y207 WeakPolarHBondContact O-CD2 3.35Å; L204-Y207 PolarHBondContact O-N 3.46Å; E205-Y207 VanDerWaalsContact C-N 3.27Å
208	P	83.6	Confident	87.9	Confident	77 Å²	77	55.4 Å²	55.4	50%	0.5	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-62.3	147.5	176.5	27	-33.8	0	0	0	110.5	Q210	P208-Q210 PolarHBondContact O-N 2.9Å
209	P	76.5	Confident	87.5	Confident	121 Å²	121	57 Å²	57	79%	0.786	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-60.6	134	177	25.7	-33.6	0	0	0	110.1	I211	P209-I211 PolarHBondContact O-N 3.37Å
210	Q	73	Confident	87.2	Confident	105 Å²	105	61.4 Å²	61.4	49%	0.491	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-64.1	128	175.6	-64.3	-166.6	-19.3	0	0	109.6	P208 N212	P208-Q210 PolarHBondContact O-N 2.9Å; Q210-N212 PolarHBondContact O-N 3.45Å
211	I	76.1	Confident	87.1	Confident	124 Å²	124	66.7 Å²	66.7	64%	0.636	37%	0.369	S	S	*	.			trans	-69	108.8	174.5	-56.9	174.6	0	0	0	107.8	P209 F213	P209-I211 PolarHBondContact O-N 3.37Å; I211-F213 HydrophobicContact CG2-CD1 4.43Å; I211-F213 HydrophobicContact CG2-CE1 3.92Å; I211-F213 HydrophobicContact CG2-CE2 4.39Å; I211-F213 HydrophobicContact CG2-CZ 3.9Å
212	N	79.6	Confident	87.1	Confident	111 Å²	111	66.6 Å²	66.6	59%	0.594	37%	0.369	S	S	*	.			trans	-119.5	119.1	170.3	-81	-28.4	0	0	0	108.6	Q210	Q210-N212 PolarHBondContact O-N 3.45Å
213	F	84.2	Confident	87	Confident	57 Å²	57	74.6 Å²	74.6	25%	0.25	40%	0.399	C	S	.	.			trans	-77.5	131.7	177.1	-60.1	-64.4	0	0	0	109.8	I211 M215 I218 E226 H227 E230	I211-F213 HydrophobicContact CG2-CD1 4.43Å; I211-F213 HydrophobicContact CG2-CE1 3.92Å; I211-F213 HydrophobicContact CG2-CE2 4.39Å; I211-F213 HydrophobicContact CG2-CZ 3.9Å; F213-M215 PolarHBondContact O-N 3.48Å; F213-I218 HydrophobicContact CB-CD1 3.69Å; F213-I218 HydrophobicContact CB-CG1 3.63Å; F213-I218 WeakPolarHBondContact O-CD1 3.46Å; F213-E226 HydrophobicContact CE2-CB 4.16Å; F213-E226 HydrophobicContact CZ-CB 3.86Å; F213-H227 AromaticContact CD1-CD2 3.62Å; F213-H227 AromaticContact CD1-NE2 3.54Å; F213-H227 AromaticContact CE1-CD2 3.75Å; F213-H227 AromaticContact CE1-NE2 3.68Å; F213-E230 HydrophobicContact CD2-CB 4.23Å; F213-E230 HydrophobicContact CD2-CG 4.06Å
214	P	86.3	Confident	87.1	Confident	76 Å²	76	78.1 Å²	78.1	49%	0.494	42%	0.417	S	S	.	.			trans	-62.2	136.4	177.5	-24.3	34.1	0	0	0	112.2	C216 T217 I218	P214-C216 VanDerWaalsContact C-N 3.27Å; P214-C216 PolarHBondContact O-N 2.9Å; P214-T217 WeakPolarHBondContact O-CA 3.4Å; P214-T217 WeakPolarHBondContact O-CB 3.45Å; P214-T217 PolarHBondContact O-N 3.49Å; P214-I218 PolarHBondContact O-N 2.81Å
215	M	86.2	Confident	87.3	Confident	104 Å²	104	79 Å²	79	51%	0.512	42%	0.422	S	S	.	.	H	α-helix	trans	-55.8	-37.8	-177.7	-75.4	-57.2	-62.1	0	0	113.7	F213 T217 I218 A219 I234 L235	F213-M215 PolarHBondContact O-N 3.48Å; M215-T217 VanDerWaalsContact C-N 3.31Å; M215-T217 PolarHBondContact O-N 2.79Å; M215-I218 PolarHBondContact O-N 2.73Å; M215-I218 HydrophobicContact SD-CD1 4.24Å; M215-A219 WeakPolarHBondContact O-CB 3.42Å; M215-A219 PolarHBondContact O-N 3.47Å; M215-I234 HydrophobicContact CE-CD1 4.12Å; M215-I234 HydrophobicContact SD-CD1 3.62Å; M215-L235 HydrophobicContact CE-CD1 4.08Å; M215-L235 HydrophobicContact CE-CD2 3.87Å; M215-L235 HydrophobicContact CE-CG 4.16Å
216	C	87.4	Confident	87.7	Confident	84 Å²	84	76.7 Å²	76.7	57%	0.568	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-39.7	175.6	59.4	0	0	0	0	111.9	P214 T220 M221	P214-C216 VanDerWaalsContact C-N 3.27Å; P214-C216 PolarHBondContact O-N 2.9Å; C216-T220 PolarHBondContact O-N 3.43Å; C216-T220 PolarHBondContact O-OG1 3.37Å; C216-M221 PolarHBondContact O-N 3.36Å
217	T	90.8	Very high	88.1	Confident	26 Å²	26	72.8 Å²	72.8	16%	0.16	39%	0.391	C	S	.	.	H	α-helix	trans	-69.1	-44.5	178.9	-60.2	0	0	0	0	110.5	P214 M215 M221 P222 H227	P214-T217 WeakPolarHBondContact O-CA 3.4Å; P214-T217 WeakPolarHBondContact O-CB 3.45Å; P214-T217 PolarHBondContact O-N 3.49Å; M215-T217 VanDerWaalsContact C-N 3.31Å; M215-T217 PolarHBondContact O-N 2.79Å; T217-M221 CarbonylContact O-C 3.5Å; T217-M221 PolarHBondContact O-N 2.98Å; T217-P222 VanDerWaalsContact O-N 3.09Å; T217-H227 VanDerWaalsContact CG2-CE1 3.5Å; T217-H227 WeakPolarHBondContact CG2-CE1 3.3Å
218	I	92.3	Very high	88.5	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-46.9	178	-58.9	171.3	0	0	0	110.6	F213 P214 M215 E230 Y231 I234 R267	F213-I218 HydrophobicContact CB-CD1 3.69Å; F213-I218 HydrophobicContact CB-CG1 3.63Å; F213-I218 WeakPolarHBondContact O-CD1 3.46Å; P214-I218 PolarHBondContact O-N 2.81Å; M215-I218 PolarHBondContact O-N 2.73Å; M215-I218 HydrophobicContact SD-CD1 4.24Å; I218-E230 HydrophobicContact CD1-CG 3.84Å; I218-E230 HydrophobicContact CG1-CG 4.5Å; I218-Y231 VanDerWaalsContact CG2-CA 3.4Å; I218-Y231 HydrophobicContact CG2-CD2 4.29Å; I218-Y231 HydrophobicContact CG2-CG 4.49Å; I218-I234 HydrophobicContact CD1-CD1 3.45Å; I218-I234 VanDerWaalsContact CD1-CD1 3.45Å; I218-I234 HydrophobicContact CG2-CD1 4.11Å; I218-R267 PolarHBondContact O-NH2 2.86Å
219	A	90	Very high	89.1	Confident	37 Å²	37	67.1 Å²	67.1	31%	0.306	36%	0.359	S	S	.	.	H	α-helix	trans	-77.3	-45.8	-171	0	0	0	0	0	113.3	M215 L235 R267	M215-A219 WeakPolarHBondContact O-CB 3.42Å; M215-A219 PolarHBondContact O-N 3.47Å; A219-L235 HydrophobicContact CB-CD1 4.01Å; A219-R267 PolarHBondContact O-NH2 3.49Å
220	T	90.8	Very high	90	Very high	92 Å²	92	62 Å²	62	56%	0.564	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-27.1	-166.8	64.1	0	0	0	0	114.8	C216	C216-T220 PolarHBondContact O-N 3.43Å; C216-T220 PolarHBondContact O-OG1 3.37Å
221	M	93.2	Very high	91.1	Very high	111 Å²	111	59.4 Å²	59.4	55%	0.547	31%	0.311	S	S	.	.			trans	-133.5	60.8	-174.5	-58.9	-175.9	81.3	0	0	112.6	C216 T217	C216-M221 PolarHBondContact O-N 3.36Å; T217-M221 CarbonylContact O-C 3.5Å; T217-M221 PolarHBondContact O-N 2.98Å
222	P	94.6	Very high	92.1	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.071	28%	0.281	C	S	.	.			trans	-64.5	149.8	175.8	31.1	-36.1	0	0	0	110.3	T217 H227 F271 I273	T217-P222 VanDerWaalsContact O-N 3.09Å; P222-H227 HydrophobicContact CB-CB 3.82Å; P222-F271 HydrophobicContact CG-CB 4.04Å; P222-F271 HydrophobicContact CG-CD1 3.51Å; P222-F271 HydrophobicContact CG-CD2 3.58Å; P222-F271 HydrophobicContact CG-CE1 3.76Å; P222-F271 HydrophobicContact CG-CE2 3.84Å; P222-F271 HydrophobicContact CG-CG 3.42Å; P222-F271 VanDerWaalsContact CG-CG 3.42Å; P222-F271 HydrophobicContact CG-CZ 3.91Å; P222-I273 HydrophobicContact CB-CD1 3.78Å; P222-I273 HydrophobicContact CG-CD1 4.08Å
223	R	93.4	Very high	92.8	Very high	173 Å²	173	51.3 Å²	51.3	65%	0.653	26%	0.264	S	S	*	.			trans	-141.2	-31.8	-174.2	-61.3	-179.3	-170.2	171	1.6	112.3	H227	R223-H227 PolarHBondContact N-ND1 3.47Å; R223-H227 VanDerWaalsContact N-ND1 3.12Å
224	L	95.6	Very high	93.2	Very high	84 Å²	84	51 Å²	51	44%	0.44	27%	0.265	S	S	.	.	S	Bend	trans	-112.7	152.2	178.9	-57.5	178.5	0	0	0	109.5	E226 H227	L224-E226 VanDerWaalsContact CB-OE2 3.27Å; L224-E226 WeakPolarHBondContact CB-OE2 3.23Å; L224-E226 PolarHBondContact O-N 2.99Å; L224-H227 PolarHBondContact N-ND1 3.35Å; L224-H227 WeakPolarHBondContact O-CB 3.43Å; L224-H227 PolarHBondContact O-N 2.97Å
225	P	96.5	Very high	93.5	Very high	20 Å²	20	50.1 Å²	50.1	13%	0.13	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-28.6	177.2	25.5	-34.5	0	0	0	112.5	H227 C228 V229 I273 V276 L280	P225-H227 VanDerWaalsContact C-N 3.28Å; P225-H227 PolarHBondContact O-N 2.77Å; P225-C228 WeakPolarHBondContact O-CB 3.38Å; P225-C228 PolarHBondContact O-N 2.8Å; P225-C228 VanDerWaalsContact O-N 3.17Å; P225-V229 PolarHBondContact O-N 3.41Å; P225-I273 HydrophobicContact CB-CG2 4.25Å; P225-V276 HydrophobicContact CB-CB 4.48Å; P225-V276 HydrophobicContact CB-CG2 3.61Å; P225-L280 HydrophobicContact CB-CD2 3.56Å; P225-L280 HydrophobicContact CG-CD2 3.64Å
226	E	95.7	Very high	93.9	Very high	57 Å²	57	46.4 Å²	46.4	27%	0.266	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-36.3	172.2	-63.8	83.1	171.3	0	0	112.2	F213 L224 C228 V229 E230 L280 V284	F213-E226 HydrophobicContact CE2-CB 4.16Å; F213-E226 HydrophobicContact CZ-CB 3.86Å; L224-E226 VanDerWaalsContact CB-OE2 3.27Å; L224-E226 WeakPolarHBondContact CB-OE2 3.23Å; L224-E226 PolarHBondContact O-N 2.99Å; E226-C228 VanDerWaalsContact C-N 3.28Å; E226-C228 PolarHBondContact O-N 3.03Å; E226-V229 PolarHBondContact O-N 2.89Å; E226-E230 WeakPolarHBondContact O-CB 3.35Å; E226-E230 PolarHBondContact O-N 2.94Å; E226-L280 HydrophobicContact CG-CD1 4.07Å; E226-V284 HydrophobicContact CB-CG2 4.07Å; E226-V284 HydrophobicContact CG-CG2 3.78Å
227	H	96.3	Very high	94.3	Very high	14 Å²	14	43 Å²	43	7%	0.065	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-34.3	178.1	-57.5	174.3	0	0	0	111.3	F213 T217 P222 R223 L224 P225 Y231	F213-H227 AromaticContact CD1-CD2 3.62Å; F213-H227 AromaticContact CD1-NE2 3.54Å; F213-H227 AromaticContact CE1-CD2 3.75Å; F213-H227 AromaticContact CE1-NE2 3.68Å; T217-H227 VanDerWaalsContact CG2-CE1 3.5Å; T217-H227 WeakPolarHBondContact CG2-CE1 3.3Å; P222-H227 HydrophobicContact CB-CB 3.82Å; R223-H227 PolarHBondContact N-ND1 3.47Å; R223-H227 VanDerWaalsContact N-ND1 3.12Å; L224-H227 PolarHBondContact N-ND1 3.35Å; L224-H227 WeakPolarHBondContact O-CB 3.43Å; L224-H227 PolarHBondContact O-N 2.97Å; P225-H227 VanDerWaalsContact C-N 3.28Å; P225-H227 PolarHBondContact O-N 2.77Å; H227-Y231 WeakPolarHBondContact O-CB 3.32Å; H227-Y231 PolarHBondContact O-N 3.43Å
228	C	96.9	Very high	94.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-47.1	175.9	-60.7	0	0	0	0	110.6	P225 E226 Y231 V232 R267 V276	P225-C228 WeakPolarHBondContact O-CB 3.38Å; P225-C228 PolarHBondContact O-N 2.8Å; P225-C228 VanDerWaalsContact O-N 3.17Å; E226-C228 VanDerWaalsContact C-N 3.28Å; E226-C228 PolarHBondContact O-N 3.03Å; C228-Y231 PolarHBondContact O-N 2.69Å; C228-V232 WeakPolarHBondContact O-CG2 3.2Å; C228-V232 PolarHBondContact O-N 3.33Å; C228-R267 HydrophobicContact CB-CB 4.47Å; C228-R267 HydrophobicContact CB-CG 4.35Å; C228-V276 HydrophobicContact CB-CG2 4.44Å
229	V	96.6	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-45.2	177.5	-179.8	0	0	0	0	111.5	P225 E226 Y231 V232 R233 V260 S264 T281 V284 V285	P225-V229 PolarHBondContact O-N 3.41Å; E226-V229 PolarHBondContact O-N 2.89Å; V229-Y231 VanDerWaalsContact C-N 3.31Å; V229-Y231 PolarHBondContact O-N 3.28Å; V229-V232 PolarHBondContact O-N 2.91Å; V229-V232 VanDerWaalsContact O-N 3.17Å; V229-R233 WeakPolarHBondContact O-CB 3.35Å; V229-R233 PolarHBondContact O-N 3.2Å; V229-V260 HydrophobicContact CG1-CG1 4.05Å; V229-S264 WeakPolarHBondContact CA-OG 3.19Å; V229-T281 HydrophobicContact CG1-CG2 4.06Å; V229-V284 HydrophobicContact CB-CB 4.2Å; V229-V284 HydrophobicContact CB-CG1 4.02Å; V229-V284 HydrophobicContact CB-CG2 4.48Å; V229-V284 HydrophobicContact CG1-CB 3.77Å; V229-V284 HydrophobicContact CG1-CG1 3.71Å; V229-V285 HydrophobicContact CG1-CG2 4.07Å
230	E	94.6	Very high	94.7	Very high	15 Å²	15	55.7 Å²	55.7	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-37	-178.6	-167.5	70.6	175.3	0	0	111.4	F213 I218 E226 V232 R233 I234 V284	F213-E230 HydrophobicContact CD2-CB 4.23Å; F213-E230 HydrophobicContact CD2-CG 4.06Å; I218-E230 HydrophobicContact CD1-CG 3.84Å; I218-E230 HydrophobicContact CG1-CG 4.5Å; E226-E230 WeakPolarHBondContact O-CB 3.35Å; E226-E230 PolarHBondContact O-N 2.94Å; E230-V232 PolarHBondContact O-N 3.44Å; E230-R233 PolarHBondContact O-N 3.46Å; E230-R233 IonicContact OE1-CZ 2.74Å; E230-R233 IonicContact OE1-NH1 2.58Å; E230-R233 PolarHBondContact OE1-NH1 3.33Å; E230-R233 IonicContact OE2-CZ 3.35Å; E230-R233 IonicContact OE2-NH1 3.92Å; E230-R233 PolarHBondContact OE2-NH1 2.91Å; E230-I234 HydrophobicContact CG-CD1 4.19Å; E230-I234 HydrophobicContact CG-CG2 4.18Å; E230-I234 VanDerWaalsContact O-CG1 3.31Å; E230-I234 WeakPolarHBondContact O-CG1 3.48Å; E230-I234 PolarHBondContact O-N 2.84Å; E230-V284 HydrophobicContact CB-CG1 4.5Å
231	Y	96.3	Very high	94.8	Very high	49 Å²	49	55.1 Å²	55.1	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-57.9	-48.7	172.2	173.6	-89.8	0	0	0	112	I218 H227 C228 V229 R233 I234 L235 Q236 R267	I218-Y231 VanDerWaalsContact CG2-CA 3.4Å; I218-Y231 HydrophobicContact CG2-CD2 4.29Å; I218-Y231 HydrophobicContact CG2-CG 4.49Å; H227-Y231 WeakPolarHBondContact O-CB 3.32Å; H227-Y231 PolarHBondContact O-N 3.43Å; C228-Y231 PolarHBondContact O-N 2.69Å; V229-Y231 VanDerWaalsContact C-N 3.31Å; V229-Y231 PolarHBondContact O-N 3.28Å; Y231-R233 VanDerWaalsContact C-N 3.28Å; Y231-R233 PolarHBondContact O-N 3.43Å; Y231-I234 PolarHBondContact O-N 2.81Å; Y231-L235 HydrophobicContact CD2-CB 4.02Å; Y231-L235 HydrophobicContact CD2-CD1 3.48Å; Y231-L235 VanDerWaalsContact CD2-CD1 3.48Å; Y231-L235 HydrophobicContact CD2-CG 4.3Å; Y231-L235 HydrophobicContact CE2-CB 3.94Å; Y231-L235 HydrophobicContact CE2-CD1 3.55Å; Y231-L235 HydrophobicContact CE2-CG 4.38Å; Y231-L235 HydrophobicContact CG-CB 4.48Å; Y231-L235 WeakPolarHBondContact O-CA 3.47Å; Y231-L235 WeakPolarHBondContact O-CB 3.18Å; Y231-L235 PolarHBondContact O-N 2.89Å; Y231-Q236 HydrophobicContact CD1-CB 4.24Å; Y231-Q236 HydrophobicContact CE1-CB 3.92Å; Y231-Q236 HydrophobicContact CE1-CG 4.43Å; Y231-Q236 PolarHBondContact O-N 3.04Å; Y231-Q236 VanDerWaalsContact O-N 3.1Å; Y231-R267 VanDerWaalsContact CD1-CZ 3.42Å; Y231-R267 VanDerWaalsContact CD2-NH1 3.26Å; Y231-R267 VanDerWaalsContact CE2-CZ 3.44Å; Y231-R267 VanDerWaalsContact CG-NH1 3.3Å
232	V	96.4	Very high	94.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-61.5	-44.6	-178.1	175.9	0	0	0	0	109.7	C228 V229 E230 Q236 W237 W259 V260 R263	C228-V232 WeakPolarHBondContact O-CG2 3.2Å; C228-V232 PolarHBondContact O-N 3.33Å; V229-V232 PolarHBondContact O-N 2.91Å; V229-V232 VanDerWaalsContact O-N 3.17Å; E230-V232 PolarHBondContact O-N 3.44Å; V232-Q236 HydrophobicContact CG1-CB 4.42Å; V232-Q236 PolarHBondContact O-N 3.21Å; V232-W237 WeakPolarHBondContact O-CB 3.48Å; V232-W237 PolarHBondContact O-N 2.98Å; V232-W259 HydrophobicContact CG1-CE3 4.17Å; V232-W259 HydrophobicContact CG1-CH2 4.31Å; V232-W259 HydrophobicContact CG1-CZ3 3.54Å; V232-V260 HydrophobicContact CB-CG1 4.2Å; V232-V260 HydrophobicContact CG1-CB 4.2Å; V232-V260 HydrophobicContact CG1-CG1 3.84Å; V232-V260 HydrophobicContact CG1-CG2 4.26Å; V232-R263 HydrophobicContact CB-CB 4.39Å; V232-R263 HydrophobicContact CG1-CB 3.64Å; V232-R263 HydrophobicContact CG1-CG 4.34Å; V232-R263 HydrophobicContact CG2-CB 3.75Å
233	R	94.2	Very high	94.7	Very high	65 Å²	65	54.6 Å²	54.6	25%	0.245	26%	0.257	C	S	.	.	I	π-helix	trans	-62.7	-49.3	179.3	169	170.3	169.1	-97.1	-15.4	113.4	V229 E230 Y231 L249	V229-R233 WeakPolarHBondContact O-CB 3.35Å; V229-R233 PolarHBondContact O-N 3.2Å; E230-R233 PolarHBondContact O-N 3.46Å; E230-R233 IonicContact OE1-CZ 2.74Å; E230-R233 IonicContact OE1-NH1 2.58Å; E230-R233 PolarHBondContact OE1-NH1 3.33Å; E230-R233 IonicContact OE2-CZ 3.35Å; E230-R233 IonicContact OE2-NH1 3.92Å; E230-R233 PolarHBondContact OE2-NH1 2.91Å; Y231-R233 VanDerWaalsContact C-N 3.28Å; Y231-R233 PolarHBondContact O-N 3.43Å; R233-L249 HydrophobicContact CB-CD2 4.18Å; R233-L249 HydrophobicContact CG-CD2 3.72Å
234	I	92.8	Very high	94.6	Very high	52 Å²	52	47.9 Å²	47.9	27%	0.267	24%	0.242	S	C	.	.	I	π-helix	trans	-97.1	-22.8	-169	80.4	-176.3	0	0	0	114	M215 I218 E230 Y231	M215-I234 HydrophobicContact CE-CD1 4.12Å; M215-I234 HydrophobicContact SD-CD1 3.62Å; I218-I234 HydrophobicContact CD1-CD1 3.45Å; I218-I234 VanDerWaalsContact CD1-CD1 3.45Å; I218-I234 HydrophobicContact CG2-CD1 4.11Å; E230-I234 HydrophobicContact CG-CD1 4.19Å; E230-I234 HydrophobicContact CG-CG2 4.18Å; E230-I234 VanDerWaalsContact O-CG1 3.31Å; E230-I234 WeakPolarHBondContact O-CG1 3.48Å; E230-I234 PolarHBondContact O-N 2.84Å; Y231-I234 PolarHBondContact O-N 2.81Å
235	L	93.4	Very high	94.2	Very high	57 Å²	57	50.5 Å²	50.5	30%	0.298	26%	0.256	S	S	.	.	I	π-helix	trans	-114.8	-49.1	-177.6	-70.8	174.8	0	0	0	112.5	M215 A219 Y231 K239	M215-L235 HydrophobicContact CE-CD1 4.08Å; M215-L235 HydrophobicContact CE-CD2 3.87Å; M215-L235 HydrophobicContact CE-CG 4.16Å; A219-L235 HydrophobicContact CB-CD1 4.01Å; Y231-L235 HydrophobicContact CD2-CB 4.02Å; Y231-L235 HydrophobicContact CD2-CD1 3.48Å; Y231-L235 VanDerWaalsContact CD2-CD1 3.48Å; Y231-L235 HydrophobicContact CD2-CG 4.3Å; Y231-L235 HydrophobicContact CE2-CB 3.94Å; Y231-L235 HydrophobicContact CE2-CD1 3.55Å; Y231-L235 HydrophobicContact CE2-CG 4.38Å; Y231-L235 HydrophobicContact CG-CB 4.48Å; Y231-L235 WeakPolarHBondContact O-CA 3.47Å; Y231-L235 WeakPolarHBondContact O-CB 3.18Å; Y231-L235 PolarHBondContact O-N 2.89Å; L235-K239 VanDerWaalsContact O-CB 3.29Å; L235-K239 WeakPolarHBondContact O-CB 3.38Å; L235-K239 PolarHBondContact O-N 3.04Å
236	Q	95.1	Very high	93.7	Very high	26 Å²	26	53.2 Å²	53.2	12%	0.121	29%	0.288	C	S	.	.	I	π-helix	trans	-76.7	-43	-172.7	-160.9	170.7	-2.5	0	0	112.6	Y231 V232 K239 E240 W259	Y231-Q236 HydrophobicContact CD1-CB 4.24Å; Y231-Q236 HydrophobicContact CE1-CB 3.92Å; Y231-Q236 HydrophobicContact CE1-CG 4.43Å; Y231-Q236 PolarHBondContact O-N 3.04Å; Y231-Q236 VanDerWaalsContact O-N 3.1Å; V232-Q236 HydrophobicContact CG1-CB 4.42Å; V232-Q236 PolarHBondContact O-N 3.21Å; Q236-K239 WeakPolarHBondContact O-CB 3.3Å; Q236-K239 PolarHBondContact O-N 3.13Å; Q236-K239 VanDerWaalsContact O-N 3.14Å; Q236-E240 HydrophobicContact CG-CG 4.29Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.32Å; Q236-E240 PolarHBondContact NE2-OE1 3.12Å; Q236-E240 PolarHBondContact O-N 2.87Å; Q236-W259 HydrophobicContact CG-CH2 4.2Å
237	W	95.6	Very high	93.4	Very high	13 Å²	13	53.5 Å²	53.5	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-52.3	178.6	179.8	-73.2	0	0	0	112.4	V232 K239 E240 M241 P242 F243 V247 L249 H256 W259 V260	V232-W237 WeakPolarHBondContact O-CB 3.48Å; V232-W237 PolarHBondContact O-N 2.98Å; W237-K239 PolarHBondContact O-N 3.49Å; W237-E240 PolarHBondContact O-N 2.94Å; W237-M241 PolarHBondContact O-N 3.27Å; W237-P242 HydrophobicContact CD2-CG 3.94Å; W237-P242 HydrophobicContact CE3-CG 3.65Å; W237-P242 HydrophobicContact CH2-CG 4.12Å; W237-P242 HydrophobicContact CZ2-CG 4.36Å; W237-P242 HydrophobicContact CZ3-CG 3.75Å; W237-F243 AromaticContact CH2-CD2 3.28Å; W237-F243 HydrophobicContact CH2-CD2 3.28Å; W237-F243 AromaticContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CG 4.3Å; W237-F243 AromaticContact CZ2-CD2 3.98Å; W237-F243 HydrophobicContact CZ2-CD2 3.98Å; W237-F243 AromaticContact CZ3-CD2 3.84Å; W237-F243 HydrophobicContact CZ3-CD2 3.84Å; W237-F243 AromaticContact CZ3-CE2 3.74Å; W237-F243 HydrophobicContact CZ3-CE2 3.74Å; W237-V247 PolarHBondContact NE1-O 3.37Å; W237-L249 HydrophobicContact CD2-CB 3.84Å; W237-L249 HydrophobicContact CD2-CD1 3.98Å; W237-L249 HydrophobicContact CD2-CG 4.39Å; W237-L249 HydrophobicContact CE3-CB 4.36Å; W237-L249 HydrophobicContact CE3-CD1 3.59Å; W237-L249 HydrophobicContact CE3-CG 4.44Å; W237-L249 HydrophobicContact CG-CB 4.16Å; W237-L249 HydrophobicContact CH2-CB 4.49Å; W237-L249 HydrophobicContact CH2-CD1 3.71Å; W237-L249 HydrophobicContact CZ2-CB 4.02Å; W237-L249 HydrophobicContact CZ2-CD1 4.11Å; W237-L249 HydrophobicContact CZ3-CD1 3.44Å; W237-L249 VanDerWaalsContact CZ3-CD1 3.44Å; W237-H256 HydrophobicContact CH2-CB 3.88Å; W237-H256 AromaticContact CH2-CD2 3.61Å; W237-H256 AromaticContact CH2-CE1 3.95Å; W237-H256 AromaticContact CH2-CG 3.48Å; W237-H256 VanDerWaalsContact CH2-CG 3.48Å; W237-H256 AromaticContact CH2-ND1 3.73Å; W237-H256 AromaticContact CH2-NE2 3.85Å; W237-H256 HydrophobicContact CZ3-CB 4.18Å; W237-W259 HydrophobicContact CB-CZ3 4.28Å; W237-W259 HydrophobicContact CD2-CZ3 4.5Å; W237-W259 HydrophobicContact CE3-CD2 4.43Å; W237-W259 AromaticContact CE3-CE3 3.56Å; W237-W259 HydrophobicContact CE3-CE3 3.56Å; W237-W259 AromaticContact CE3-CZ3 3.63Å; W237-W259 HydrophobicContact CE3-CZ3 3.63Å; W237-W259 HydrophobicContact CZ3-CD2 4.38Å; W237-W259 AromaticContact CZ3-CE3 3.83Å; W237-W259 HydrophobicContact CZ3-CE3 3.83Å; W237-W259 HydrophobicContact CZ3-CZ3 4.36Å; W237-V260 HydrophobicContact CE3-CG2 4.09Å; W237-V260 HydrophobicContact CZ3-CG2 4.28Å
238	P	93.4	Very high	93.2	Very high	78 Å²	78	56.5 Å²	56.5	51%	0.506	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-23.7	178.2	-21.7	35.4	0	0	0	113.5
239	K	92.8	Very high	93.1	Very high	160 Å²	160	58.5 Å²	58.5	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-80.1	-42.1	-179.7	-177.5	-175.8	176	-170.1	0	112.6	L235 Q236 W237	L235-K239 VanDerWaalsContact O-CB 3.29Å; L235-K239 WeakPolarHBondContact O-CB 3.38Å; L235-K239 PolarHBondContact O-N 3.04Å; Q236-K239 WeakPolarHBondContact O-CB 3.3Å; Q236-K239 PolarHBondContact O-N 3.13Å; Q236-K239 VanDerWaalsContact O-N 3.14Å; W237-K239 PolarHBondContact O-N 3.49Å
240	E	94	Very high	92.8	Very high	92 Å²	92	62.1 Å²	62.1	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-94.1	-21.7	-174.4	-69.7	-177.8	-154.3	0	0	113.2	Q236 W237 W259	Q236-E240 HydrophobicContact CG-CG 4.29Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.32Å; Q236-E240 PolarHBondContact NE2-OE1 3.12Å; Q236-E240 PolarHBondContact O-N 2.87Å; W237-E240 PolarHBondContact O-N 2.94Å; E240-W259 HydrophobicContact CB-CZ2 4.4Å; E240-W259 WeakPolarHBondContact OE2-CZ2 3.1Å
241	M	92.8	Very high	92.6	Very high	80 Å²	80	62.1 Å²	62.1	39%	0.394	35%	0.354	S	S	.	.			trans	45	57.2	-177.9	-61.2	-177.4	-67.9	0	0	112.1	W237 F243 G244 D245	W237-M241 PolarHBondContact O-N 3.27Å; M241-F243 PolarHBondContact O-N 3.21Å; M241-G244 PolarHBondContact O-N 2.93Å; M241-D245 WeakPolarHBondContact CE-OD1 3.3Å
242	P	92.9	Very high	92.2	Very high	42 Å²	42	64.6 Å²	64.6	27%	0.273	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21	-162.5	21	-31.6	0	0	0	115.5	W237 W259	W237-P242 HydrophobicContact CD2-CG 3.94Å; W237-P242 HydrophobicContact CE3-CG 3.65Å; W237-P242 HydrophobicContact CH2-CG 4.12Å; W237-P242 HydrophobicContact CZ2-CG 4.36Å; W237-P242 HydrophobicContact CZ3-CG 3.75Å; P242-W259 HydrophobicContact CB-CD2 3.95Å; P242-W259 HydrophobicContact CB-CG 4.29Å; P242-W259 HydrophobicContact CB-CH2 4.35Å; P242-W259 HydrophobicContact CB-CZ2 3.61Å; P242-W259 VanDerWaalsContact CB-NE1 3.32Å; P242-W259 HydrophobicContact CG-CD2 3.79Å; P242-W259 HydrophobicContact CG-CE3 4Å; P242-W259 HydrophobicContact CG-CG 4.44Å; P242-W259 HydrophobicContact CG-CH2 3.8Å; P242-W259 HydrophobicContact CG-CZ2 3.57Å; P242-W259 HydrophobicContact CG-CZ3 4.01Å
243	F	94	Very high	91.9	Very high	69 Å²	69	66.9 Å²	66.9	30%	0.303	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	15.3	-179.9	-65	-97.7	0	0	0	112.7	W237 M241 V247 E255 H256 W259	W237-F243 AromaticContact CH2-CD2 3.28Å; W237-F243 HydrophobicContact CH2-CD2 3.28Å; W237-F243 AromaticContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CG 4.3Å; W237-F243 AromaticContact CZ2-CD2 3.98Å; W237-F243 HydrophobicContact CZ2-CD2 3.98Å; W237-F243 AromaticContact CZ3-CD2 3.84Å; W237-F243 HydrophobicContact CZ3-CD2 3.84Å; W237-F243 AromaticContact CZ3-CE2 3.74Å; W237-F243 HydrophobicContact CZ3-CE2 3.74Å; M241-F243 PolarHBondContact O-N 3.21Å; F243-V247 HydrophobicContact CB-CB 4.39Å; F243-V247 HydrophobicContact CB-CG1 4.06Å; F243-V247 WeakPolarHBondContact O-CG2 3.33Å; F243-E255 HydrophobicContact CE1-CB 3.93Å; F243-E255 HydrophobicContact CZ-CB 4.17Å; F243-H256 AromaticContact CD1-CD2 3.75Å; F243-H256 AromaticContact CD1-NE2 3.85Å; F243-H256 AromaticContact CD2-CD2 3.6Å; F243-H256 AromaticContact CD2-NE2 3.84Å; F243-H256 AromaticContact CE1-CD2 3.75Å; F243-H256 AromaticContact CE2-CD2 3.63Å; F243-H256 AromaticContact CG-CD2 3.68Å; F243-H256 AromaticContact CG-NE2 3.59Å; F243-H256 AromaticContact CZ-CD2 3.71Å; F243-W259 HydrophobicContact CE2-CB 3.82Å; F243-W259 AromaticContact CE2-CG 3.97Å; F243-W259 HydrophobicContact CE2-CG 3.97Å; F243-W259 HydrophobicContact CZ-CB 3.99Å; F243-W259 HydrophobicContact CZ-CG 4.45Å
244	G	90.9	Very high	91.8	Very high	32 Å²	32	67.9 Å²	67.9	33%	0.33	40%	0.398	S	S	.	.	S	Bend	trans	113	160.5	177	0	0	0	0	0	114.1	M241 G246 V247	M241-G244 PolarHBondContact O-N 2.93Å; G244-G246 PolarHBondContact O-N 3.15Å; G244-V247 PolarHBondContact O-N 3.11Å
245	D	87.7	Confident	91.9	Very high	140 Å²	140	71.7 Å²	71.7	75%	0.749	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	122	-177.9	-71.1	-18.2	0	0	0	111.2	M241 V247	M241-D245 WeakPolarHBondContact CE-OD1 3.3Å; D245-V247 VanDerWaalsContact C-N 3.34Å
246	G	84.9	Confident	92.1	Very high	76 Å²	76	69.5 Å²	69.5	78%	0.784	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	1.1	177.7	0	0	0	0	0	115.6	G244 A248	G244-G246 PolarHBondContact O-N 3.15Å; G246-A248 PolarHBondContact O-N 3.06Å
247	V	90.9	Very high	92.1	Very high	63 Å²	63	68.4 Å²	68.4	38%	0.382	40%	0.398	S	S	.	.			trans	-75.3	113.4	173.9	-178.3	0	0	0	0	109.9	W237 F243 G244 D245	W237-V247 PolarHBondContact NE1-O 3.37Å; F243-V247 HydrophobicContact CB-CB 4.39Å; F243-V247 HydrophobicContact CB-CG1 4.06Å; F243-V247 WeakPolarHBondContact O-CG2 3.33Å; G244-V247 PolarHBondContact O-N 3.11Å; D245-V247 VanDerWaalsContact C-N 3.34Å
248	A	92	Very high	92.2	Very high	78 Å²	78	72 Å²	72	65%	0.645	42%	0.415	S	S	*	.			trans	-72.6	151.3	176.8	0	0	0	0	0	111.3	G246 D250	G246-A248 PolarHBondContact O-N 3.06Å; A248-D250 PolarHBondContact O-N 3.13Å
249	L	93.1	Very high	92.4	Very high	42 Å²	42	70.1 Å²	70.1	22%	0.22	40%	0.398	C	S	.	.			trans	-65.3	109	173.4	175	65.3	0	0	0	109.9	R233 W237 H256 V260 V285	R233-L249 HydrophobicContact CB-CD2 4.18Å; R233-L249 HydrophobicContact CG-CD2 3.72Å; W237-L249 HydrophobicContact CD2-CB 3.84Å; W237-L249 HydrophobicContact CD2-CD1 3.98Å; W237-L249 HydrophobicContact CD2-CG 4.39Å; W237-L249 HydrophobicContact CE3-CB 4.36Å; W237-L249 HydrophobicContact CE3-CD1 3.59Å; W237-L249 HydrophobicContact CE3-CG 4.44Å; W237-L249 HydrophobicContact CG-CB 4.16Å; W237-L249 HydrophobicContact CH2-CB 4.49Å; W237-L249 HydrophobicContact CH2-CD1 3.71Å; W237-L249 HydrophobicContact CZ2-CB 4.02Å; W237-L249 HydrophobicContact CZ2-CD1 4.11Å; W237-L249 HydrophobicContact CZ3-CD1 3.44Å; W237-L249 VanDerWaalsContact CZ3-CD1 3.44Å; L249-H256 HydrophobicContact CD1-CB 3.95Å; L249-V260 HydrophobicContact CD1-CG2 3.78Å; L249-V260 HydrophobicContact CD2-CG2 4.37Å; L249-V285 HydrophobicContact CD2-CG1 3.92Å; L249-V285 HydrophobicContact CG-CG1 4.37Å
250	D	91.4	Very high	92.7	Very high	75 Å²	75	62.5 Å²	62.5	40%	0.401	37%	0.365	S	S	.	.			trans	-85.9	122.2	167.1	-168.2	-14.2	0	0	0	110.3	A248 D252 D253 H256	A248-D250 PolarHBondContact O-N 3.13Å; D250-D252 VanDerWaalsContact C-N 3.31Å; D250-D252 PolarHBondContact OD1-N 2.93Å; D250-D253 HydrophobicContact CB-CB 3.9Å; D250-H256 WeakPolarHBondContact CB-ND1 3.47Å; D250-H256 PolarHBondContact N-ND1 3.41Å; D250-H256 VanDerWaalsContact O-CB 3.3Å; D250-H256 WeakPolarHBondContact O-CB 3.33Å; D250-H256 PolarHBondContact O-ND1 3.46Å
251	G	89.9	Confident	92.8	Very high	15 Å²	15	59.8 Å²	59.8	16%	0.155	35%	0.352	C	S	.	.	S	Bend	trans	-79.2	-13.9	178.3	0	0	0	0	0	113.9	I257 K286	G251-I257 WeakPolarHBondContact O-CG1 3.29Å; G251-K286 WeakPolarHBondContact O-CD 3.43Å
252	D	87.2	Confident	93.1	Very high	102 Å²	102	59.7 Å²	59.7	55%	0.545	35%	0.35	S	S	.	.	S	Bend	trans	-95.1	-14.8	178	-67.4	-50.2	0	0	0	112.7	D250 P254 K286	D250-D252 VanDerWaalsContact C-N 3.31Å; D250-D252 PolarHBondContact OD1-N 2.93Å; D252-P254 VanDerWaalsContact O-CD 3.31Å; D252-P254 WeakPolarHBondContact O-CD 3.44Å; D252-K286 VanDerWaalsContact OD1-CE 3.25Å; D252-K286 WeakPolarHBondContact OD1-CE 3.25Å; D252-K286 IonicContact OD1-NZ 2.86Å; D252-K286 PolarHBondContact OD1-NZ 3.43Å
253	D	90.9	Very high	93.3	Very high	48 Å²	48	60.4 Å²	60.4	26%	0.257	35%	0.348	S	S	.	.			trans	-76.4	116.6	174.2	-172.1	-42.9	0	0	0	111	D250 E255 H256 I257	D250-D253 HydrophobicContact CB-CB 3.9Å; D253-E255 VanDerWaalsContact C-N 3.29Å; D253-E255 PolarHBondContact O-N 3.32Å; D253-E255 WeakPolarHBondContact OD1-CA 3.42Å; D253-E255 WeakPolarHBondContact OD1-CB 3.49Å; D253-E255 PolarHBondContact OD1-N 2.95Å; D253-H256 HydrophobicContact CB-CB 3.9Å; D253-H256 PolarHBondContact O-N 2.99Å; D253-H256 PolarHBondContact OD1-N 3.29Å; D253-H256 IonicContact OD2-CD2 3.2Å; D253-H256 IonicContact OD2-NE2 3.57Å; D253-I257 WeakPolarHBondContact O-CG1 3.42Å; D253-I257 PolarHBondContact O-N 2.92Å; D253-I257 VanDerWaalsContact O-N 3.08Å
254	P	92.3	Very high	93.5	Very high	85 Å²	85	57.1 Å²	57.1	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-61.5	-32.7	179.5	-23	34.9	0	0	0	114	D252 Q258	D252-P254 VanDerWaalsContact O-CD 3.31Å; D252-P254 WeakPolarHBondContact O-CD 3.44Å; P254-Q258 WeakPolarHBondContact O-CB 3.17Å; P254-Q258 PolarHBondContact O-N 3.03Å
255	E	95.3	Very high	93.8	Very high	133 Å²	133	58.3 Å²	58.3	62%	0.621	33%	0.332	S	S	*	.	H	α-helix	trans	-70.4	-41.5	179	-59.1	-168.4	170.1	0	0	110.8	F243 D253 Q258 W259	F243-E255 HydrophobicContact CE1-CB 3.93Å; F243-E255 HydrophobicContact CZ-CB 4.17Å; D253-E255 VanDerWaalsContact C-N 3.29Å; D253-E255 PolarHBondContact O-N 3.32Å; D253-E255 WeakPolarHBondContact OD1-CA 3.42Å; D253-E255 WeakPolarHBondContact OD1-CB 3.49Å; D253-E255 PolarHBondContact OD1-N 2.95Å; E255-Q258 PolarHBondContact O-N 3.08Å; E255-W259 WeakPolarHBondContact O-CB 3.3Å; E255-W259 PolarHBondContact O-N 3.47Å
256	H	96.6	Very high	94.3	Very high	11 Å²	11	55.3 Å²	55.3	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-49.5	174.1	-71.6	-171.4	0	0	0	111.6	W237 F243 L249 D250 D253 Q258 W259 V260	W237-H256 HydrophobicContact CH2-CB 3.88Å; W237-H256 AromaticContact CH2-CD2 3.61Å; W237-H256 AromaticContact CH2-CE1 3.95Å; W237-H256 AromaticContact CH2-CG 3.48Å; W237-H256 VanDerWaalsContact CH2-CG 3.48Å; W237-H256 AromaticContact CH2-ND1 3.73Å; W237-H256 AromaticContact CH2-NE2 3.85Å; W237-H256 HydrophobicContact CZ3-CB 4.18Å; F243-H256 AromaticContact CD1-CD2 3.75Å; F243-H256 AromaticContact CD1-NE2 3.85Å; F243-H256 AromaticContact CD2-CD2 3.6Å; F243-H256 AromaticContact CD2-NE2 3.84Å; F243-H256 AromaticContact CE1-CD2 3.75Å; F243-H256 AromaticContact CE2-CD2 3.63Å; F243-H256 AromaticContact CG-CD2 3.68Å; F243-H256 AromaticContact CG-NE2 3.59Å; F243-H256 AromaticContact CZ-CD2 3.71Å; L249-H256 HydrophobicContact CD1-CB 3.95Å; D250-H256 WeakPolarHBondContact CB-ND1 3.47Å; D250-H256 PolarHBondContact N-ND1 3.41Å; D250-H256 VanDerWaalsContact O-CB 3.3Å; D250-H256 WeakPolarHBondContact O-CB 3.33Å; D250-H256 PolarHBondContact O-ND1 3.46Å; D253-H256 HydrophobicContact CB-CB 3.9Å; D253-H256 PolarHBondContact O-N 2.99Å; D253-H256 PolarHBondContact OD1-N 3.29Å; D253-H256 IonicContact OD2-CD2 3.2Å; D253-H256 IonicContact OD2-NE2 3.57Å; H256-Q258 VanDerWaalsContact C-N 3.32Å; H256-Q258 PolarHBondContact O-N 3.35Å; H256-W259 WeakPolarHBondContact O-CB 3.26Å; H256-W259 PolarHBondContact O-N 3.32Å; H256-V260 WeakPolarHBondContact O-CG2 3.31Å; H256-V260 PolarHBondContact O-N 2.76Å
257	I	96.4	Very high	94.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-40.9	177.9	-65.4	-57.9	0	0	0	111.1	G251 D253 W259 V260 F261 Y278 T281 Q282 V285	G251-I257 WeakPolarHBondContact O-CG1 3.29Å; D253-I257 WeakPolarHBondContact O-CG1 3.42Å; D253-I257 PolarHBondContact O-N 2.92Å; D253-I257 VanDerWaalsContact O-N 3.08Å; I257-W259 VanDerWaalsContact C-N 3.32Å; I257-W259 PolarHBondContact O-N 3.42Å; I257-V260 PolarHBondContact O-N 3.23Å; I257-F261 VanDerWaalsContact O-CB 3.3Å; I257-F261 WeakPolarHBondContact O-CB 3.49Å; I257-F261 PolarHBondContact O-N 2.95Å; I257-Y278 HydrophobicContact CB-CE2 4.43Å; I257-Y278 HydrophobicContact CG2-CD2 4.26Å; I257-Y278 HydrophobicContact CG2-CE1 4.21Å; I257-Y278 HydrophobicContact CG2-CE2 3.59Å; I257-T281 HydrophobicContact CG2-CG2 4.25Å; I257-Q282 HydrophobicContact CG2-CG 3.61Å; I257-V285 HydrophobicContact CD1-CB 3.89Å; I257-V285 HydrophobicContact CD1-CG1 3.64Å; I257-V285 HydrophobicContact CD1-CG2 4.15Å
258	Q	97.1	Very high	95.1	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-40.9	177	-176.4	60.8	37.4	0	0	111.5	P254 E255 H256 F261 Q262 Y278	P254-Q258 WeakPolarHBondContact O-CB 3.17Å; P254-Q258 PolarHBondContact O-N 3.03Å; E255-Q258 PolarHBondContact O-N 3.08Å; H256-Q258 VanDerWaalsContact C-N 3.32Å; H256-Q258 PolarHBondContact O-N 3.35Å; Q258-F261 PolarHBondContact O-N 3.01Å; Q258-Q262 WeakPolarHBondContact O-CB 3.32Å; Q258-Q262 PolarHBondContact O-N 3.33Å; Q258-Y278 HydrophobicContact CB-CE2 4.49Å
259	W	97.9	Very high	95.4	Very high	38 Å²	38	49.3 Å²	49.3	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-47.8	174.7	-175.4	97.2	0	0	0	111.6	V232 Q236 W237 E240 P242 F243 E255 H256 I257 F261 Q262 R263	V232-W259 HydrophobicContact CG1-CE3 4.17Å; V232-W259 HydrophobicContact CG1-CH2 4.31Å; V232-W259 HydrophobicContact CG1-CZ3 3.54Å; Q236-W259 HydrophobicContact CG-CH2 4.2Å; W237-W259 HydrophobicContact CB-CZ3 4.28Å; W237-W259 HydrophobicContact CD2-CZ3 4.5Å; W237-W259 HydrophobicContact CE3-CD2 4.43Å; W237-W259 AromaticContact CE3-CE3 3.56Å; W237-W259 HydrophobicContact CE3-CE3 3.56Å; W237-W259 AromaticContact CE3-CZ3 3.63Å; W237-W259 HydrophobicContact CE3-CZ3 3.63Å; W237-W259 HydrophobicContact CZ3-CD2 4.38Å; W237-W259 AromaticContact CZ3-CE3 3.83Å; W237-W259 HydrophobicContact CZ3-CE3 3.83Å; W237-W259 HydrophobicContact CZ3-CZ3 4.36Å; E240-W259 HydrophobicContact CB-CZ2 4.4Å; E240-W259 WeakPolarHBondContact OE2-CZ2 3.1Å; P242-W259 HydrophobicContact CB-CD2 3.95Å; P242-W259 HydrophobicContact CB-CG 4.29Å; P242-W259 HydrophobicContact CB-CH2 4.35Å; P242-W259 HydrophobicContact CB-CZ2 3.61Å; P242-W259 VanDerWaalsContact CB-NE1 3.32Å; P242-W259 HydrophobicContact CG-CD2 3.79Å; P242-W259 HydrophobicContact CG-CE3 4Å; P242-W259 HydrophobicContact CG-CG 4.44Å; P242-W259 HydrophobicContact CG-CH2 3.8Å; P242-W259 HydrophobicContact CG-CZ2 3.57Å; P242-W259 HydrophobicContact CG-CZ3 4.01Å; F243-W259 HydrophobicContact CE2-CB 3.82Å; F243-W259 AromaticContact CE2-CG 3.97Å; F243-W259 HydrophobicContact CE2-CG 3.97Å; F243-W259 HydrophobicContact CZ-CB 3.99Å; F243-W259 HydrophobicContact CZ-CG 4.45Å; E255-W259 WeakPolarHBondContact O-CB 3.3Å; E255-W259 PolarHBondContact O-N 3.47Å; H256-W259 WeakPolarHBondContact O-CB 3.26Å; H256-W259 PolarHBondContact O-N 3.32Å; I257-W259 VanDerWaalsContact C-N 3.32Å; I257-W259 PolarHBondContact O-N 3.42Å; W259-F261 VanDerWaalsContact C-N 3.29Å; W259-F261 PolarHBondContact O-N 2.82Å; W259-Q262 PolarHBondContact O-N 2.92Å; W259-R263 HydrophobicContact CD2-CG 3.95Å; W259-R263 HydrophobicContact CE3-CG 4.03Å; W259-R263 HydrophobicContact CH2-CG 3.75Å; W259-R263 HydrophobicContact CZ2-CG 3.64Å; W259-R263 HydrophobicContact CZ3-CG 3.93Å; W259-R263 WeakPolarHBondContact O-CG 3.5Å; W259-R263 PolarHBondContact O-N 3.37Å
260	V	97.6	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-43.2	178.2	175	0	0	0	0	110.4	V229 V232 W237 L249 H256 I257 Q262 R263 S264 T281 V285	V229-V260 HydrophobicContact CG1-CG1 4.05Å; V232-V260 HydrophobicContact CB-CG1 4.2Å; V232-V260 HydrophobicContact CG1-CB 4.2Å; V232-V260 HydrophobicContact CG1-CG1 3.84Å; V232-V260 HydrophobicContact CG1-CG2 4.26Å; W237-V260 HydrophobicContact CE3-CG2 4.09Å; W237-V260 HydrophobicContact CZ3-CG2 4.28Å; L249-V260 HydrophobicContact CD1-CG2 3.78Å; L249-V260 HydrophobicContact CD2-CG2 4.37Å; H256-V260 WeakPolarHBondContact O-CG2 3.31Å; H256-V260 PolarHBondContact O-N 2.76Å; I257-V260 PolarHBondContact O-N 3.23Å; V260-Q262 PolarHBondContact O-N 3.07Å; V260-R263 PolarHBondContact O-N 3.28Å; V260-S264 VanDerWaalsContact O-CB 3.25Å; V260-S264 WeakPolarHBondContact O-CB 3.31Å; V260-S264 PolarHBondContact O-N 3.15Å; V260-S264 PolarHBondContact O-OG 3.23Å; V260-T281 HydrophobicContact CB-CG2 4.05Å; V260-T281 HydrophobicContact CG1-CG2 3.67Å; V260-V285 HydrophobicContact CG1-CG2 3.95Å
261	F	98.1	Very high	95.7	Very high	34 Å²	34	54.3 Å²	54.3	15%	0.149	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-47	177.5	169.1	-121.7	0	0	0	111.7	I257 Q258 W259 S264 L265 V276 Y278 T281	I257-F261 VanDerWaalsContact O-CB 3.3Å; I257-F261 WeakPolarHBondContact O-CB 3.49Å; I257-F261 PolarHBondContact O-N 2.95Å; Q258-F261 PolarHBondContact O-N 3.01Å; W259-F261 VanDerWaalsContact C-N 3.29Å; W259-F261 PolarHBondContact O-N 2.82Å; F261-S264 WeakPolarHBondContact O-CB 3.43Å; F261-S264 PolarHBondContact O-N 2.89Å; F261-L265 HydrophobicContact CD1-CD1 4.48Å; F261-L265 HydrophobicContact CD2-CD1 4.39Å; F261-L265 HydrophobicContact CD2-CG 4.3Å; F261-L265 HydrophobicContact CE1-CD1 3.89Å; F261-L265 HydrophobicContact CE2-CD1 3.77Å; F261-L265 HydrophobicContact CE2-CD2 4.13Å; F261-L265 HydrophobicContact CE2-CG 3.84Å; F261-L265 HydrophobicContact CZ-CD1 3.51Å; F261-L265 HydrophobicContact CZ-CD2 4.46Å; F261-L265 HydrophobicContact CZ-CG 4.12Å; F261-L265 PolarHBondContact O-N 2.8Å; F261-V276 HydrophobicContact CD2-CG1 4.06Å; F261-V276 HydrophobicContact CE2-CG1 4.12Å; F261-Y278 HydrophobicContact CB-CD2 4.26Å; F261-Y278 HydrophobicContact CD1-CD2 4.03Å; F261-Y278 HydrophobicContact CG-CD2 4.17Å; F261-T281 HydrophobicContact CB-CG2 4.08Å
262	Q	97.8	Very high	96	Very high	79 Å²	79	60.7 Å²	60.7	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-46.5	-179.5	-174.9	57.5	41.6	0	0	112.4	Q258 W259 V260 S264 L265 E266	Q258-Q262 WeakPolarHBondContact O-CB 3.32Å; Q258-Q262 PolarHBondContact O-N 3.33Å; W259-Q262 PolarHBondContact O-N 2.92Å; V260-Q262 PolarHBondContact O-N 3.07Å; Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 2.76Å; Q262-L265 WeakPolarHBondContact O-CB 3.34Å; Q262-L265 PolarHBondContact O-N 3.03Å; Q262-E266 PolarHBondContact NE2-OE1 2.8Å; Q262-E266 PolarHBondContact O-N 3.02Å
263	R	97.9	Very high	96.5	Very high	56 Å²	56	56.8 Å²	56.8	21%	0.211	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-33.8	175.3	-66.6	-64.1	95.1	89.5	-0.3	112.3	V232 W259 V260 L265 E266 R267	V232-R263 HydrophobicContact CB-CB 4.39Å; V232-R263 HydrophobicContact CG1-CB 3.64Å; V232-R263 HydrophobicContact CG1-CG 4.34Å; V232-R263 HydrophobicContact CG2-CB 3.75Å; W259-R263 HydrophobicContact CD2-CG 3.95Å; W259-R263 HydrophobicContact CE3-CG 4.03Å; W259-R263 HydrophobicContact CH2-CG 3.75Å; W259-R263 HydrophobicContact CZ2-CG 3.64Å; W259-R263 HydrophobicContact CZ3-CG 3.93Å; W259-R263 WeakPolarHBondContact O-CG 3.5Å; W259-R263 PolarHBondContact O-N 3.37Å; V260-R263 PolarHBondContact O-N 3.28Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-E266 IonicContact CZ-OE1 3.93Å; R263-E266 IonicContact CZ-OE2 3.86Å; R263-E266 IonicContact NE-OE1 3.5Å; R263-E266 PolarHBondContact NE-OE1 2.92Å; R263-E266 IonicContact NE-OE2 3.53Å; R263-E266 PolarHBondContact NE-OE2 2.69Å; R263-E266 IonicContact NH2-OE1 2.78Å; R263-E266 PolarHBondContact NH2-OE1 2.8Å; R263-E266 IonicContact NH2-OE2 3.53Å; R263-E266 PolarHBondContact O-N 2.91Å; R263-R267 PolarHBondContact O-N 3.35Å
264	S	97.8	Very high	96.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-37.3	177	-58.7	0	0	0	0	111.4	V229 V260 F261 Q262 S268	V229-S264 WeakPolarHBondContact CA-OG 3.19Å; V260-S264 VanDerWaalsContact O-CB 3.25Å; V260-S264 WeakPolarHBondContact O-CB 3.31Å; V260-S264 PolarHBondContact O-N 3.15Å; V260-S264 PolarHBondContact O-OG 3.23Å; F261-S264 WeakPolarHBondContact O-CB 3.43Å; F261-S264 PolarHBondContact O-N 2.89Å; Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 2.76Å; S264-S268 VanDerWaalsContact O-CB 3.27Å; S264-S268 WeakPolarHBondContact O-CB 3.32Å; S264-S268 PolarHBondContact O-N 3.13Å; S264-S268 PolarHBondContact O-OG 3.38Å
265	L	97.9	Very high	96.8	Very high	58 Å²	58	58.7 Å²	58.7	30%	0.304	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-47.6	173.4	-76.3	172.2	0	0	0	111.5	F261 Q262 R263 S268 A269 V276	F261-L265 HydrophobicContact CD1-CD1 4.48Å; F261-L265 HydrophobicContact CD2-CD1 4.39Å; F261-L265 HydrophobicContact CD2-CG 4.3Å; F261-L265 HydrophobicContact CE1-CD1 3.89Å; F261-L265 HydrophobicContact CE2-CD1 3.77Å; F261-L265 HydrophobicContact CE2-CD2 4.13Å; F261-L265 HydrophobicContact CE2-CG 3.84Å; F261-L265 HydrophobicContact CZ-CD1 3.51Å; F261-L265 HydrophobicContact CZ-CD2 4.46Å; F261-L265 HydrophobicContact CZ-CG 4.12Å; F261-L265 PolarHBondContact O-N 2.8Å; Q262-L265 WeakPolarHBondContact O-CB 3.34Å; Q262-L265 PolarHBondContact O-N 3.03Å; R263-L265 VanDerWaalsContact C-N 3.34Å; L265-S268 WeakPolarHBondContact CA-OG 3.32Å; L265-S268 PolarHBondContact O-N 3.28Å; L265-S268 PolarHBondContact O-OG 2.68Å; L265-A269 PolarHBondContact O-N 3.44Å; L265-V276 HydrophobicContact CD2-CB 4.02Å; L265-V276 HydrophobicContact CD2-CG1 4.01Å; L265-V276 HydrophobicContact CG-CG1 4.19Å
266	E	97.4	Very high	96.8	Very high	76 Å²	76	53 Å²	53	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-57.6	-51.1	177.6	-69.3	162.9	-162.3	0	0	111.1	Q262 R263 S268 A269 E270	Q262-E266 PolarHBondContact NE2-OE1 2.8Å; Q262-E266 PolarHBondContact O-N 3.02Å; R263-E266 IonicContact CZ-OE1 3.93Å; R263-E266 IonicContact CZ-OE2 3.86Å; R263-E266 IonicContact NE-OE1 3.5Å; R263-E266 PolarHBondContact NE-OE1 2.92Å; R263-E266 IonicContact NE-OE2 3.53Å; R263-E266 PolarHBondContact NE-OE2 2.69Å; R263-E266 IonicContact NH2-OE1 2.78Å; R263-E266 PolarHBondContact NH2-OE1 2.8Å; R263-E266 IonicContact NH2-OE2 3.53Å; R263-E266 PolarHBondContact O-N 2.91Å; E266-S268 VanDerWaalsContact C-N 3.31Å; E266-S268 PolarHBondContact O-N 3.27Å; E266-A269 WeakPolarHBondContact O-CB 3.32Å; E266-A269 PolarHBondContact O-N 3.33Å; E266-E270 PolarHBondContact O-N 2.82Å
267	R	96.4	Very high	96.8	Very high	15 Å²	15	55.9 Å²	55.9	6%	0.057	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-39.7	175.8	-175.9	172.8	-177.3	87.1	-0.4	112.3	I218 A219 C228 Y231 R263 A269 E270 F271	I218-R267 PolarHBondContact O-NH2 2.86Å; A219-R267 PolarHBondContact O-NH2 3.49Å; C228-R267 HydrophobicContact CB-CB 4.47Å; C228-R267 HydrophobicContact CB-CG 4.35Å; Y231-R267 VanDerWaalsContact CD1-CZ 3.42Å; Y231-R267 VanDerWaalsContact CD2-NH1 3.26Å; Y231-R267 VanDerWaalsContact CE2-CZ 3.44Å; Y231-R267 VanDerWaalsContact CG-NH1 3.3Å; R263-R267 PolarHBondContact O-N 3.35Å; R267-A269 VanDerWaalsContact C-N 3.29Å; R267-A269 PolarHBondContact O-N 2.95Å; R267-E270 PolarHBondContact O-N 2.81Å; R267-F271 HydrophobicContact CG-CD2 4.41Å; R267-F271 HydrophobicContact CG-CE2 4.49Å; R267-F271 WeakPolarHBondContact O-CD2 3.32Å; R267-F271 PolarHBondContact O-N 2.76Å
268	S	97.1	Very high	96.8	Very high	9 Å²	9	59.3 Å²	59.3	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-35.7	179.4	72.8	0	0	0	0	112	S264 L265 E266 F271 N272 I273	S264-S268 VanDerWaalsContact O-CB 3.27Å; S264-S268 WeakPolarHBondContact O-CB 3.32Å; S264-S268 PolarHBondContact O-N 3.13Å; S264-S268 PolarHBondContact O-OG 3.38Å; L265-S268 WeakPolarHBondContact CA-OG 3.32Å; L265-S268 PolarHBondContact O-N 3.28Å; L265-S268 PolarHBondContact O-OG 2.68Å; E266-S268 VanDerWaalsContact C-N 3.31Å; E266-S268 PolarHBondContact O-N 3.27Å; S268-F271 CarbonylContact O-C 3.12Å; S268-F271 PolarHBondContact O-N 3.09Å; S268-N272 PolarHBondContact O-N 3.22Å; S268-I273 WeakPolarHBondContact CB-O 3.14Å; S268-I273 PolarHBondContact O-N 3.28Å
269	A	96.8	Very high	96.6	Very high	68 Å²	68	64.8 Å²	64.8	56%	0.562	33%	0.332	S	S	*	.	H	α-helix	trans	-65.5	-39.4	175.7	0	0	0	0	0	112.6	L265 E266 R267 F271 N272	L265-A269 PolarHBondContact O-N 3.44Å; E266-A269 WeakPolarHBondContact O-CB 3.32Å; E266-A269 PolarHBondContact O-N 3.33Å; R267-A269 VanDerWaalsContact C-N 3.29Å; R267-A269 PolarHBondContact O-N 2.95Å; A269-F271 PolarHBondContact O-N 3.39Å; A269-N272 PolarHBondContact O-N 3.38Å
270	E	96	Very high	96.4	Very high	140 Å²	140	64.9 Å²	64.9	65%	0.654	34%	0.335	S	S	*	.	H	α-helix	trans	-57.8	-35.6	176.1	-68.6	174.3	-177	0	0	112.9	E266 R267	E266-E270 PolarHBondContact O-N 2.82Å; R267-E270 PolarHBondContact O-N 2.81Å
271	F	95.8	Very high	96.3	Very high	82 Å²	82	64.9 Å²	64.9	36%	0.36	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.8	-177.3	-69	-91.8	0	0	0	113.4	P222 R267 S268 A269 I273	P222-F271 HydrophobicContact CG-CB 4.04Å; P222-F271 HydrophobicContact CG-CD1 3.51Å; P222-F271 HydrophobicContact CG-CD2 3.58Å; P222-F271 HydrophobicContact CG-CE1 3.76Å; P222-F271 HydrophobicContact CG-CE2 3.84Å; P222-F271 HydrophobicContact CG-CG 3.42Å; P222-F271 VanDerWaalsContact CG-CG 3.42Å; P222-F271 HydrophobicContact CG-CZ 3.91Å; R267-F271 HydrophobicContact CG-CD2 4.41Å; R267-F271 HydrophobicContact CG-CE2 4.49Å; R267-F271 WeakPolarHBondContact O-CD2 3.32Å; R267-F271 PolarHBondContact O-N 2.76Å; S268-F271 CarbonylContact O-C 3.12Å; S268-F271 PolarHBondContact O-N 3.09Å; A269-F271 PolarHBondContact O-N 3.39Å; F271-I273 HydrophobicContact CB-CD1 3.75Å; F271-I273 HydrophobicContact CB-CG1 3.97Å; F271-I273 PolarHBondContact O-N 3.04Å
272	N	96.3	Very high	96	Very high	148 Å²	148	66.2 Å²	66.2	79%	0.791	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	37.6	-175.7	-58	-70.7	0	0	0	113.7	S268 A269	S268-N272 PolarHBondContact O-N 3.22Å; A269-N272 PolarHBondContact O-N 3.38Å
273	I	96.5	Very high	95.7	Very high	20 Å²	20	63.6 Å²	63.6	10%	0.103	34%	0.336	C	S	.	.			trans	-93.9	130.2	177.8	-62.4	169.6	0	0	0	108.6	P222 P225 S268 F271	P222-I273 HydrophobicContact CB-CD1 3.78Å; P222-I273 HydrophobicContact CG-CD1 4.08Å; P225-I273 HydrophobicContact CB-CG2 4.25Å; S268-I273 WeakPolarHBondContact CB-O 3.14Å; S268-I273 PolarHBondContact O-N 3.28Å; F271-I273 HydrophobicContact CB-CD1 3.75Å; F271-I273 HydrophobicContact CB-CG1 3.97Å; F271-I273 PolarHBondContact O-N 3.04Å
274	T	95.5	Very high	95.5	Very high	124 Å²	124	61.8 Å²	61.8	76%	0.761	33%	0.331	S	S	*	.			trans	-105.5	165.5	176.2	60.9	0	0	0	0	111
275	G	94.1	Very high	95.2	Very high	49 Å²	49	62.5 Å²	62.5	51%	0.505	34%	0.335	S	S	.	.			trans	97.3	2.6	174.6	0	0	0	0	0	115.9	T277 L280	G275-T277 PolarHBondContact O-N 3.49Å; G275-L280 WeakPolarHBondContact O-CD2 3.43Å
276	V	96.5	Very high	94.8	Very high	15 Å²	15	63.2 Å²	63.2	9%	0.091	34%	0.336	C	S	.	.			trans	-67.1	119.5	168.5	179	0	0	0	0	109.1	P225 C228 F261 L265	P225-V276 HydrophobicContact CB-CB 4.48Å; P225-V276 HydrophobicContact CB-CG2 3.61Å; C228-V276 HydrophobicContact CB-CG2 4.44Å; F261-V276 HydrophobicContact CD2-CG1 4.06Å; F261-V276 HydrophobicContact CE2-CG1 4.12Å; L265-V276 HydrophobicContact CD2-CB 4.02Å; L265-V276 HydrophobicContact CD2-CG1 4.01Å; L265-V276 HydrophobicContact CG-CG1 4.19Å
277	T	96.9	Very high	94.3	Very high	70 Å²	70	65.5 Å²	65.5	43%	0.429	34%	0.341	S	S	.	.			trans	-133.6	155.9	177.2	64.4	0	0	0	0	109.5	G275 R279 L280 T281	G275-T277 PolarHBondContact O-N 3.49Å; T277-R279 PolarHBondContact O-N 2.82Å; T277-L280 WeakPolarHBondContact O-CB 3.49Å; T277-L280 PolarHBondContact O-N 2.99Å; T277-L280 WeakPolarHBondContact OG1-CB 3.15Å; T277-L280 PolarHBondContact OG1-N 3.5Å; T277-T281 PolarHBondContact O-N 3.39Å; T277-T281 PolarHBondContact O-OG1 3.39Å
278	Y	95	Very high	93.7	Very high	74 Å²	74	69 Å²	69	29%	0.29	36%	0.361	S	S	.	.	H	α-helix	trans	-54.8	-41	176.8	-172.4	-91.2	0	0	0	112.3	I257 Q258 F261 L280 T281 Q282	I257-Y278 HydrophobicContact CB-CE2 4.43Å; I257-Y278 HydrophobicContact CG2-CD2 4.26Å; I257-Y278 HydrophobicContact CG2-CE1 4.21Å; I257-Y278 HydrophobicContact CG2-CE2 3.59Å; Q258-Y278 HydrophobicContact CB-CE2 4.49Å; F261-Y278 HydrophobicContact CB-CD2 4.26Å; F261-Y278 HydrophobicContact CD1-CD2 4.03Å; F261-Y278 HydrophobicContact CG-CD2 4.17Å; Y278-L280 PolarHBondContact O-N 3.22Å; Y278-T281 WeakPolarHBondContact O-CB 3.36Å; Y278-T281 PolarHBondContact O-N 3.28Å; Y278-Q282 HydrophobicContact CD1-CG 4.21Å; Y278-Q282 HydrophobicContact CE1-CG 3.9Å; Y278-Q282 PolarHBondContact O-N 2.69Å
279	R	93.1	Very high	93	Very high	206 Å²	206	72.2 Å²	72.2	78%	0.777	38%	0.376	S	S	*	.	H	α-helix	trans	-62.4	-43	176.4	-175.7	-177.4	-66.9	164.6	-0.3	112.2	T277 T281 Q282 G283	T277-R279 PolarHBondContact O-N 2.82Å; R279-T281 VanDerWaalsContact C-N 3.34Å; R279-Q282 PolarHBondContact O-N 3.04Å; R279-G283 PolarHBondContact O-N 2.93Å
280	L	94.6	Very high	92.5	Very high	39 Å²	39	73.3 Å²	73.3	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-63.9	-42.3	175.5	-178.4	68.2	0	0	0	110.9	P225 E226 G275 T277 Y278 Q282 G283 V284	P225-L280 HydrophobicContact CB-CD2 3.56Å; P225-L280 HydrophobicContact CG-CD2 3.64Å; E226-L280 HydrophobicContact CG-CD1 4.07Å; G275-L280 WeakPolarHBondContact O-CD2 3.43Å; T277-L280 WeakPolarHBondContact O-CB 3.49Å; T277-L280 PolarHBondContact O-N 2.99Å; T277-L280 WeakPolarHBondContact OG1-CB 3.15Å; T277-L280 PolarHBondContact OG1-N 3.5Å; Y278-L280 PolarHBondContact O-N 3.22Å; L280-Q282 PolarHBondContact O-N 3.24Å; L280-G283 WeakPolarHBondContact O-CA 3.44Å; L280-G283 PolarHBondContact O-N 2.77Å; L280-G283 VanDerWaalsContact O-N 3.11Å; L280-V284 HydrophobicContact CD1-CG2 4.23Å; L280-V284 HydrophobicContact CG-CG2 4.33Å; L280-V284 WeakPolarHBondContact O-CG2 3.41Å; L280-V284 PolarHBondContact O-N 3.31Å
281	T	95.6	Very high	92.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-57.8	-48.6	177.1	-59	0	0	0	0	111.4	V229 I257 V260 F261 T277 Y278 R279 G283 V284 V285	V229-T281 HydrophobicContact CG1-CG2 4.06Å; I257-T281 HydrophobicContact CG2-CG2 4.25Å; V260-T281 HydrophobicContact CB-CG2 4.05Å; V260-T281 HydrophobicContact CG1-CG2 3.67Å; F261-T281 HydrophobicContact CB-CG2 4.08Å; T277-T281 PolarHBondContact O-N 3.39Å; T277-T281 PolarHBondContact O-OG1 3.39Å; Y278-T281 WeakPolarHBondContact O-CB 3.36Å; Y278-T281 PolarHBondContact O-N 3.28Å; R279-T281 VanDerWaalsContact C-N 3.34Å; T281-G283 VanDerWaalsContact C-N 3.32Å; T281-G283 PolarHBondContact O-N 3.22Å; T281-V284 PolarHBondContact O-N 3.18Å; T281-V285 HydrophobicContact CG2-CG2 4.19Å; T281-V285 WeakPolarHBondContact O-CB 3.28Å; T281-V285 VanDerWaalsContact O-CG2 3.25Å; T281-V285 WeakPolarHBondContact O-CG2 3.44Å; T281-V285 PolarHBondContact O-N 3.44Å
282	Q	91.9	Very high	92.1	Very high	62 Å²	62	66.1 Å²	66.1	29%	0.29	35%	0.352	S	S	.	.	H	α-helix	trans	-58.2	-45.2	173.6	-70.3	-177.2	-63.1	0	0	111.9	I257 Y278 R279 L280 V284 V285 K286 I288	I257-Q282 HydrophobicContact CG2-CG 3.61Å; Y278-Q282 HydrophobicContact CD1-CG 4.21Å; Y278-Q282 HydrophobicContact CE1-CG 3.9Å; Y278-Q282 PolarHBondContact O-N 2.69Å; R279-Q282 PolarHBondContact O-N 3.04Å; L280-Q282 PolarHBondContact O-N 3.24Å; Q282-V284 PolarHBondContact O-N 3.38Å; Q282-V285 PolarHBondContact O-N 2.66Å; Q282-K286 WeakPolarHBondContact O-CB 3.34Å; Q282-K286 PolarHBondContact O-N 3.06Å; Q282-I288 HydrophobicContact CB-CD1 4.12Å
283	G	91.5	Very high	92.1	Very high	24 Å²	24	61 Å²	61	25%	0.247	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-48.1	178.3	0	0	0	0	0	113.1	R279 L280 T281 R287 I288	R279-G283 PolarHBondContact O-N 2.93Å; L280-G283 WeakPolarHBondContact O-CA 3.44Å; L280-G283 PolarHBondContact O-N 2.77Å; L280-G283 VanDerWaalsContact O-N 3.11Å; T281-G283 VanDerWaalsContact C-N 3.32Å; T281-G283 PolarHBondContact O-N 3.22Å; G283-R287 CarbonylContact O-C 3.58Å; G283-R287 WeakPolarHBondContact O-CA 3.46Å; G283-R287 PolarHBondContact O-N 2.77Å; G283-I288 PolarHBondContact O-N 3.14Å
284	V	92.1	Very high	92.1	Very high	19 Å²	19	63 Å²	63	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-72.4	-46.2	-179.5	175.4	0	0	0	0	111.5	E226 V229 E230 L280 T281 Q282 R287	E226-V284 HydrophobicContact CB-CG2 4.07Å; E226-V284 HydrophobicContact CG-CG2 3.78Å; V229-V284 HydrophobicContact CB-CB 4.2Å; V229-V284 HydrophobicContact CB-CG1 4.02Å; V229-V284 HydrophobicContact CB-CG2 4.48Å; V229-V284 HydrophobicContact CG1-CB 3.77Å; V229-V284 HydrophobicContact CG1-CG1 3.71Å; E230-V284 HydrophobicContact CB-CG1 4.5Å; L280-V284 HydrophobicContact CD1-CG2 4.23Å; L280-V284 HydrophobicContact CG-CG2 4.33Å; L280-V284 WeakPolarHBondContact O-CG2 3.41Å; L280-V284 PolarHBondContact O-N 3.31Å; T281-V284 PolarHBondContact O-N 3.18Å; Q282-V284 PolarHBondContact O-N 3.38Å; V284-R287 PolarHBondContact O-N 2.97Å
285	V	92.4	Very high	92.2	Very high	14 Å²	14	57.1 Å²	57.1	9%	0.085	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-47.8	-177.1	172.5	0	0	0	0	111.5	V229 L249 I257 V260 T281 Q282 R287	V229-V285 HydrophobicContact CG1-CG2 4.07Å; L249-V285 HydrophobicContact CD2-CG1 3.92Å; L249-V285 HydrophobicContact CG-CG1 4.37Å; I257-V285 HydrophobicContact CD1-CB 3.89Å; I257-V285 HydrophobicContact CD1-CG1 3.64Å; I257-V285 HydrophobicContact CD1-CG2 4.15Å; V260-V285 HydrophobicContact CG1-CG2 3.95Å; T281-V285 HydrophobicContact CG2-CG2 4.19Å; T281-V285 WeakPolarHBondContact O-CB 3.28Å; T281-V285 VanDerWaalsContact O-CG2 3.25Å; T281-V285 WeakPolarHBondContact O-CG2 3.44Å; T281-V285 PolarHBondContact O-N 3.44Å; Q282-V285 PolarHBondContact O-N 2.66Å; V285-R287 VanDerWaalsContact C-N 3.34Å
286	K	88.5	Confident	92.4	Very high	74 Å²	74	55.2 Å²	55.2	32%	0.322	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.3	-178.9	-60	-179.9	64.5	160.7	0	113.4	G251 D252 Q282 I288	G251-K286 WeakPolarHBondContact O-CD 3.43Å; D252-K286 VanDerWaalsContact OD1-CE 3.25Å; D252-K286 WeakPolarHBondContact OD1-CE 3.25Å; D252-K286 IonicContact OD1-NZ 2.86Å; D252-K286 PolarHBondContact OD1-NZ 3.43Å; Q282-K286 WeakPolarHBondContact O-CB 3.34Å; Q282-K286 PolarHBondContact O-N 3.06Å; K286-I288 VanDerWaalsContact C-N 3.27Å; K286-I288 HydrophobicContact CB-CD1 4.35Å; K286-I288 HydrophobicContact CB-CG1 3.69Å; K286-I288 HydrophobicContact CD-CD1 4.32Å; K286-I288 HydrophobicContact CD-CG1 4.47Å; K286-I288 PolarHBondContact O-N 3.34Å
287	R	87.2	Confident	92.5	Very high	123 Å²	123	56 Å²	56	46%	0.464	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	48.5	-171	-61.8	-175.2	171.4	-132.1	-3.5	111.9	G283 V284 V285 I289	G283-R287 CarbonylContact O-C 3.58Å; G283-R287 WeakPolarHBondContact O-CA 3.46Å; G283-R287 PolarHBondContact O-N 2.77Å; V284-R287 PolarHBondContact O-N 2.97Å; V285-R287 VanDerWaalsContact C-N 3.34Å; R287-I289 PolarHBondContact O-N 3.34Å
288	I	84.1	Confident	92.6	Very high	90 Å²	90	55.2 Å²	55.2	46%	0.462	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-61.4	122.2	-171.9	-58.1	-179.1	0	0	0	110.5	Q282 G283 K286	Q282-I288 HydrophobicContact CB-CD1 4.12Å; G283-I288 PolarHBondContact O-N 3.14Å; K286-I288 VanDerWaalsContact C-N 3.27Å; K286-I288 HydrophobicContact CB-CD1 4.35Å; K286-I288 HydrophobicContact CB-CG1 3.69Å; K286-I288 HydrophobicContact CD-CD1 4.32Å; K286-I288 HydrophobicContact CD-CG1 4.47Å; K286-I288 PolarHBondContact O-N 3.34Å
289	I	83.7	Confident	92.8	Very high	75 Å²	75	51.7 Å²	51.7	39%	0.385	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-87.8	122.5	167.6	-60.1	176.9	0	0	0	108.1	E183 R287 A291	E183-I289 HydrophobicContact CB-CG2 3.91Å; E183-I289 HydrophobicContact CG-CG2 3.78Å; R287-I289 PolarHBondContact O-N 3.34Å; I289-A291 PolarHBondContact O-N 3.34Å
290	P	85.9	Confident	93	Very high	92 Å²	92	41.9 Å²	41.9	60%	0.597	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-56.1	136.4	173.6	-24.6	34.4	0	0	0	111.1	G184	G184-P290 WeakPolarHBondContact CA-O 3.3Å; G184-P290 PolarHBondContact N-O 3.43Å
291	A	89.9	Confident	93.2	Very high	24 Å²	24	42 Å²	42	20%	0.198	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-146.9	134.4	-177.2	0	0	0	0	0	112	N89 R90 I289	N89-A291 PolarHBondContact ND2-O 3.49Å; R90-A291 VanDerWaalsContact NE-CB 3.34Å; I289-A291 PolarHBondContact O-N 3.34Å
292	V	92.8	Very high	93.4	Very high	46 Å²	46	43 Å²	43	28%	0.279	26%	0.255	S	S	.	.			trans	-128.7	152.9	179.8	-65.9	0	0	0	0	110.9	F185 S294 N296	F185-V292 HydrophobicContact CD1-CG2 4.15Å; F185-V292 HydrophobicContact CE1-CG2 4.02Å; V292-S294 VanDerWaalsContact C-N 3.33Å; V292-S294 WeakPolarHBondContact CG2-OG 3.45Å; V292-S294 PolarHBondContact O-N 3.44Å; V292-N296 PolarHBondContact O-ND2 2.96Å
293	A	96	Very high	93.7	Very high	41 Å²	41	40 Å²	40	34%	0.339	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-39	-178.4	0	0	0	0	0	112.6	R90 T295 N296 A297	R90-A293 HydrophobicContact CB-CB 4.21Å; A293-T295 PolarHBondContact O-N 3.44Å; A293-N296 PolarHBondContact O-N 2.77Å; A293-A297 WeakPolarHBondContact O-CB 3.47Å; A293-A297 PolarHBondContact O-N 2.82Å
294	S	97.8	Very high	94.1	Very high	61 Å²	61	39 Å²	39	43%	0.427	23%	0.231	S	C	.	.	H	α-helix	trans	-56.9	-51	-176.7	50.4	0	0	0	0	112.9	V292 N296 A297 V298	V292-S294 VanDerWaalsContact C-N 3.33Å; V292-S294 WeakPolarHBondContact CG2-OG 3.45Å; V292-S294 PolarHBondContact O-N 3.44Å; S294-N296 VanDerWaalsContact C-N 3.35Å; S294-N296 PolarHBondContact O-N 2.84Å; S294-A297 PolarHBondContact O-N 2.9Å; S294-V298 WeakPolarHBondContact O-CG2 3.12Å; S294-V298 PolarHBondContact O-N 2.93Å
295	T	97.7	Very high	94.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-36.5	-179.8	-51.7	0	0	0	0	112.1	T182 G184 K186 A293 V298 I299 F324	T182-T295 HydrophobicContact CG2-CG2 4.13Å; G184-T295 WeakPolarHBondContact O-CB 3.4Å; G184-T295 PolarHBondContact O-OG1 2.9Å; G184-T295 VanDerWaalsContact O-OG1 3.09Å; K186-T295 WeakPolarHBondContact O-CG2 3.41Å; A293-T295 PolarHBondContact O-N 3.44Å; T295-V298 PolarHBondContact O-N 3.04Å; T295-I299 WeakPolarHBondContact O-CG1 3.22Å; T295-I299 PolarHBondContact O-N 2.97Å; T295-I299 VanDerWaalsContact O-N 3.13Å; T295-F324 HydrophobicContact CG2-CD1 4.18Å; T295-F324 HydrophobicContact CG2-CE1 4.2Å
296	N	97.9	Very high	94.7	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-44.6	172.4	-75.7	-82.6	0	0	0	111.3	L59 T182 V292 A293 S294 V298 I299 A300	L59-N296 WeakPolarHBondContact CD1-O 2.97Å; L59-N296 PolarHBondContact N-OD1 2.86Å; T182-N296 PolarHBondContact OG1-OD1 2.65Å; V292-N296 PolarHBondContact O-ND2 2.96Å; A293-N296 PolarHBondContact O-N 2.77Å; S294-N296 VanDerWaalsContact C-N 3.35Å; S294-N296 PolarHBondContact O-N 2.84Å; N296-V298 PolarHBondContact O-N 3.22Å; N296-I299 PolarHBondContact O-N 3.41Å; N296-A300 WeakPolarHBondContact O-CB 3.4Å; N296-A300 PolarHBondContact O-N 3.01Å
297	A	98.6	Very high	95.2	Very high	32 Å²	32	37.8 Å²	37.8	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-42	177.9	0	0	0	0	0	112.3	E62 A293 S294 A301	E62-A297 HydrophobicContact CG-CB 4.34Å; A293-A297 WeakPolarHBondContact O-CB 3.47Å; A293-A297 PolarHBondContact O-N 2.82Å; S294-A297 PolarHBondContact O-N 2.9Å; A297-A301 WeakPolarHBondContact O-CB 3.26Å; A297-A301 PolarHBondContact O-N 3.25Å
298	V	98.6	Very high	95.7	Very high	54 Å²	54	33 Å²	33	33%	0.327	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-49.4	178	171.4	0	0	0	0	111.4	S294 T295 N296 A302 F324	S294-V298 WeakPolarHBondContact O-CG2 3.12Å; S294-V298 PolarHBondContact O-N 2.93Å; T295-V298 PolarHBondContact O-N 3.04Å; N296-V298 PolarHBondContact O-N 3.22Å; V298-A302 PolarHBondContact O-N 3.11Å; V298-A302 VanDerWaalsContact O-N 3.15Å; V298-F324 HydrophobicContact CB-CE1 4.31Å; V298-F324 HydrophobicContact CB-CZ 4.36Å; V298-F324 HydrophobicContact CG1-CD1 4.07Å; V298-F324 HydrophobicContact CG1-CD2 3.83Å; V298-F324 HydrophobicContact CG1-CE1 4.14Å; V298-F324 HydrophobicContact CG1-CE2 3.9Å; V298-F324 HydrophobicContact CG1-CG 3.9Å; V298-F324 HydrophobicContact CG1-CZ 4.03Å; V298-F324 HydrophobicContact CG2-CE1 4.36Å; V298-F324 HydrophobicContact CG2-CE2 4.48Å; V298-F324 HydrophobicContact CG2-CZ 4.03Å
299	I	98.6	Very high	96.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.4	-40.1	-178	-62.3	-51.5	0	0	0	111.4	L59 T182 N188 A189 T295 N296 A301 A302 C303 F324	L59-I299 HydrophobicContact CD1-CB 3.76Å; L59-I299 HydrophobicContact CD1-CG2 3.71Å; L59-I299 HydrophobicContact CD2-CG2 4.39Å; T182-I299 HydrophobicContact CG2-CB 3.97Å; T182-I299 HydrophobicContact CG2-CG1 3.81Å; T182-I299 HydrophobicContact CG2-CG2 4.4Å; N188-I299 WeakPolarHBondContact O-CG2 3.39Å; A189-I299 HydrophobicContact CB-CG2 4.36Å; T295-I299 WeakPolarHBondContact O-CG1 3.22Å; T295-I299 PolarHBondContact O-N 2.97Å; T295-I299 VanDerWaalsContact O-N 3.13Å; N296-I299 PolarHBondContact O-N 3.41Å; I299-A301 VanDerWaalsContact C-N 3.32Å; I299-A301 PolarHBondContact O-N 3.36Å; I299-A302 PolarHBondContact O-N 3.48Å; I299-C303 PolarHBondContact O-N 3.37Å; I299-C303 PolarHBondContact O-SG 2.96Å; I299-C303 VanDerWaalsContact O-SG 3.35Å; I299-F324 HydrophobicContact CD1-CB 3.89Å
300	A	98.7	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-40.2	178.1	0	0	0	0	0	111.5	L59 E62 L63 N296 A302 C303 A304	L59-A300 HydrophobicContact CD1-CB 3.76Å; L59-A300 HydrophobicContact CG-CB 4.21Å; E62-A300 HydrophobicContact CB-CB 3.25Å; E62-A300 HydrophobicContact CG-CB 4.27Å; L63-A300 HydrophobicContact CD2-CB 4.19Å; L63-A300 HydrophobicContact CG-CB 4.08Å; N296-A300 WeakPolarHBondContact O-CB 3.4Å; N296-A300 PolarHBondContact O-N 3.01Å; A300-A302 PolarHBondContact O-N 2.88Å; A300-C303 PolarHBondContact O-N 3.43Å; A300-A304 WeakPolarHBondContact O-CB 3.22Å; A300-A304 PolarHBondContact O-N 2.98Å
301	A	98.8	Very high	97.7	Very high	41 Å²	41	25.4 Å²	25.4	34%	0.339	17%	0.168	S	C	.	.	H	α-helix	trans	-62.2	-42.7	175.1	0	0	0	0	0	111.8	A297 I299 T305	A297-A301 WeakPolarHBondContact O-CB 3.26Å; A297-A301 PolarHBondContact O-N 3.25Å; I299-A301 VanDerWaalsContact C-N 3.32Å; I299-A301 PolarHBondContact O-N 3.36Å; A301-T305 VanDerWaalsContact O-CB 3.28Å; A301-T305 WeakPolarHBondContact O-CB 3.43Å; A301-T305 PolarHBondContact O-N 3.35Å; A301-T305 PolarHBondContact O-OG1 2.87Å
302	A	98.7	Very high	98.1	Very high	20 Å²	20	25 Å²	25	17%	0.165	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-50.2	174.3	0	0	0	0	0	110.8	A189 V298 I299 A300 T305 E306 M322	A189-A302 HydrophobicContact CB-CB 3.89Å; V298-A302 PolarHBondContact O-N 3.11Å; V298-A302 VanDerWaalsContact O-N 3.15Å; I299-A302 PolarHBondContact O-N 3.48Å; A300-A302 PolarHBondContact O-N 2.88Å; A302-T305 WeakPolarHBondContact O-CB 3.26Å; A302-T305 PolarHBondContact O-N 3.25Å; A302-E306 WeakPolarHBondContact O-CG 3.41Å; A302-E306 PolarHBondContact O-N 3.4Å; A302-E306 VanDerWaalsContact O-N 3.14Å; A302-M322 HydrophobicContact CB-CE 4.14Å; A302-M322 HydrophobicContact CB-SD 4.2Å
303	C	98.8	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-50.4	178	-69.8	0	0	0	0	112.8	L63 V142 V178 I299 A300 T305 E306 V307	L63-C303 HydrophobicContact CD2-CB 3.76Å; V142-C303 HydrophobicContact CG1-CB 4.34Å; V178-C303 HydrophobicContact CG1-CB 3.61Å; I299-C303 PolarHBondContact O-N 3.37Å; I299-C303 PolarHBondContact O-SG 2.96Å; I299-C303 VanDerWaalsContact O-SG 3.35Å; A300-C303 PolarHBondContact O-N 3.43Å; C303-T305 VanDerWaalsContact C-N 3.27Å; C303-T305 PolarHBondContact O-N 2.86Å; C303-E306 PolarHBondContact O-N 3.22Å; C303-E306 VanDerWaalsContact O-N 3.08Å; C303-V307 WeakPolarHBondContact O-CG2 3.45Å; C303-V307 PolarHBondContact O-N 3.11Å
304	A	98.8	Very high	98.5	Very high	3 Å²	3	22.5 Å²	22.5	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-33.7	-179.4	0	0	0	0	0	112.4	L63 D66 L67 A300 E306 V307 F308	L63-A304 HydrophobicContact CD2-CB 4.31Å; D66-A304 HydrophobicContact CB-CB 3.44Å; D66-A304 VanDerWaalsContact CB-CB 3.44Å; L67-A304 HydrophobicContact CD2-CB 4.24Å; L67-A304 HydrophobicContact CG-CB 4.46Å; A300-A304 WeakPolarHBondContact O-CB 3.22Å; A300-A304 PolarHBondContact O-N 2.98Å; A304-E306 VanDerWaalsContact C-N 3.34Å; A304-V307 PolarHBondContact O-N 3.45Å; A304-F308 PolarHBondContact O-N 2.86Å
305	T	98.9	Very high	98.5	Very high	68 Å²	68	23.7 Å²	23.7	42%	0.417	14%	0.141	S	C	.	.	H	α-helix	trans	-61.4	-43.7	172.1	-61.5	0	0	0	0	111	A301 A302 C303 F308 K309	A301-T305 VanDerWaalsContact O-CB 3.28Å; A301-T305 WeakPolarHBondContact O-CB 3.43Å; A301-T305 PolarHBondContact O-N 3.35Å; A301-T305 PolarHBondContact O-OG1 2.87Å; A302-T305 WeakPolarHBondContact O-CB 3.26Å; A302-T305 PolarHBondContact O-N 3.25Å; C303-T305 VanDerWaalsContact C-N 3.27Å; C303-T305 PolarHBondContact O-N 2.86Å; T305-F308 WeakPolarHBondContact O-CB 3.35Å; T305-F308 PolarHBondContact O-N 2.88Å; T305-K309 WeakPolarHBondContact O-CG 3.4Å; T305-K309 PolarHBondContact O-N 3.3Å
306	E	98.8	Very high	98.5	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.065	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-35.8	177.8	-62.9	-47.8	130.8	0	0	112.6	V178 V191 A302 C303 A304 F308 K309 L310 P317 L318	V178-E306 HydrophobicContact CG1-CB 4.47Å; V178-E306 HydrophobicContact CG2-CB 4.41Å; V191-E306 HydrophobicContact CG2-CB 3.63Å; V191-E306 HydrophobicContact CG2-CG 3.69Å; A302-E306 WeakPolarHBondContact O-CG 3.41Å; A302-E306 PolarHBondContact O-N 3.4Å; A302-E306 VanDerWaalsContact O-N 3.14Å; C303-E306 PolarHBondContact O-N 3.22Å; C303-E306 VanDerWaalsContact O-N 3.08Å; A304-E306 VanDerWaalsContact C-N 3.34Å; E306-F308 VanDerWaalsContact C-N 3.32Å; E306-F308 PolarHBondContact O-N 2.79Å; E306-K309 PolarHBondContact O-N 3.03Å; E306-K309 IonicContact OE1-NZ 3.71Å; E306-K309 PolarHBondContact OE1-NZ 2.7Å; E306-K309 WeakPolarHBondContact OE2-CD 3.48Å; E306-K309 IonicContact OE2-NZ 2.72Å; E306-L310 WeakPolarHBondContact O-CB 3.37Å; E306-L310 WeakPolarHBondContact O-CD1 3.07Å; E306-L310 VanDerWaalsContact O-CG 3.24Å; E306-L310 WeakPolarHBondContact O-CG 3.19Å; E306-L310 PolarHBondContact O-N 3.4Å; E306-P317 VanDerWaalsContact OE2-CA 3.27Å; E306-P317 WeakPolarHBondContact OE2-CA 3.43Å; E306-L318 HydrophobicContact CG-CB 3.92Å; E306-L318 PolarHBondContact OE2-N 2.84Å
307	V	98.8	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-43.7	172.3	177.8	0	0	0	0	110.9	I51 L67 F72 I140 V142 V178 C303 A304 K309 L310 A311	I51-V307 HydrophobicContact CD1-CG1 3.84Å; L67-V307 HydrophobicContact CD2-CB 3.8Å; L67-V307 HydrophobicContact CD2-CG1 3.53Å; L67-V307 HydrophobicContact CD2-CG2 4.25Å; F72-V307 HydrophobicContact CE1-CG1 4.42Å; F72-V307 HydrophobicContact CE2-CG1 4.16Å; F72-V307 HydrophobicContact CZ-CG1 3.88Å; I140-V307 HydrophobicContact CD1-CG1 4.04Å; I140-V307 HydrophobicContact CG2-CG1 4.19Å; I140-V307 HydrophobicContact CG2-CG2 4.22Å; V142-V307 HydrophobicContact CB-CG2 4.47Å; V142-V307 HydrophobicContact CG1-CG2 4.31Å; V142-V307 HydrophobicContact CG2-CG1 4.47Å; V142-V307 HydrophobicContact CG2-CG2 3.33Å; V178-V307 HydrophobicContact CB-CG2 4.14Å; V178-V307 HydrophobicContact CG1-CG2 4.46Å; V178-V307 HydrophobicContact CG2-CG2 3.86Å; C303-V307 WeakPolarHBondContact O-CG2 3.45Å; C303-V307 PolarHBondContact O-N 3.11Å; A304-V307 PolarHBondContact O-N 3.45Å; V307-K309 PolarHBondContact O-N 2.89Å; V307-L310 PolarHBondContact O-N 3.13Å; V307-A311 WeakPolarHBondContact O-CB 3.12Å; V307-A311 PolarHBondContact O-N 2.8Å
308	F	98.8	Very high	98.4	Very high	23 Å²	23	28.5 Å²	28.5	10%	0.101	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-45.4	175.8	-177.6	-96.4	0	0	0	111.8	V20 F23 L24 L45 F72 A304 T305 E306 A311 T312 A314	V20-F308 HydrophobicContact CG1-CE2 3.76Å; V20-F308 HydrophobicContact CG1-CZ 4Å; F23-F308 HydrophobicContact CB-CE1 4.21Å; F23-F308 HydrophobicContact CB-CZ 4.37Å; L24-F308 HydrophobicContact CD2-CE1 4.46Å; L24-F308 HydrophobicContact CD2-CE2 4.44Å; L24-F308 HydrophobicContact CD2-CZ 3.76Å; L24-F308 HydrophobicContact CG-CZ 4.18Å; L45-F308 HydrophobicContact CD1-CD2 4.27Å; L45-F308 HydrophobicContact CD1-CE2 3.79Å; F72-F308 HydrophobicContact CE2-CB 4.43Å; F72-F308 HydrophobicContact CE2-CD2 4.32Å; A304-F308 PolarHBondContact O-N 2.86Å; T305-F308 WeakPolarHBondContact O-CB 3.35Å; T305-F308 PolarHBondContact O-N 2.88Å; E306-F308 VanDerWaalsContact C-N 3.32Å; E306-F308 PolarHBondContact O-N 2.79Å; F308-A311 PolarHBondContact O-N 3.45Å; F308-T312 HydrophobicContact CD2-CG2 4.26Å; F308-T312 HydrophobicContact CE1-CG2 4.48Å; F308-T312 HydrophobicContact CE2-CG2 4Å; F308-T312 HydrophobicContact CZ-CG2 4.12Å; F308-T312 WeakPolarHBondContact O-CB 2.78Å; F308-T312 VanDerWaalsContact O-CG2 3.26Å; F308-T312 WeakPolarHBondContact O-CG2 3.32Å; F308-T312 PolarHBondContact O-N 3.34Å; F308-T312 PolarHBondContact O-OG1 3.48Å; F308-A314 HydrophobicContact CE1-CB 4.14Å
309	K	98.7	Very high	98.1	Very high	42 Å²	42	29 Å²	29	18%	0.183	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-48	177.3	-68.5	175.3	-176.7	169.7	0	112.1	T305 E306 V307 A311 T312 S313	T305-K309 WeakPolarHBondContact O-CG 3.4Å; T305-K309 PolarHBondContact O-N 3.3Å; E306-K309 PolarHBondContact O-N 3.03Å; E306-K309 IonicContact OE1-NZ 3.71Å; E306-K309 PolarHBondContact OE1-NZ 2.7Å; E306-K309 WeakPolarHBondContact OE2-CD 3.48Å; E306-K309 IonicContact OE2-NZ 2.72Å; V307-K309 PolarHBondContact O-N 2.89Å; K309-A311 VanDerWaalsContact C-N 3.32Å; K309-A311 PolarHBondContact O-N 3.17Å; K309-T312 PolarHBondContact O-N 3.41Å; K309-S313 WeakPolarHBondContact O-CA 3.17Å; K309-S313 PolarHBondContact O-N 3.31Å
310	L	98.3	Very high	97.7	Very high	38 Å²	38	29.5 Å²	29.5	20%	0.199	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-39.5	179.2	-73.1	164.9	0	0	0	112.3	I140 P176 V178 V191 L193 E306 V307 T312 P317	I140-L310 HydrophobicContact CD1-CB 3.73Å; P176-L310 HydrophobicContact CB-CD1 3.96Å; P176-L310 HydrophobicContact CB-CD2 4.38Å; V178-L310 HydrophobicContact CG2-CD1 3.68Å; V191-L310 HydrophobicContact CG1-CD1 3.99Å; V191-L310 HydrophobicContact CG1-CD2 4.4Å; L193-L310 HydrophobicContact CD2-CD2 4.27Å; E306-L310 WeakPolarHBondContact O-CB 3.37Å; E306-L310 WeakPolarHBondContact O-CD1 3.07Å; E306-L310 VanDerWaalsContact O-CG 3.24Å; E306-L310 WeakPolarHBondContact O-CG 3.19Å; E306-L310 PolarHBondContact O-N 3.4Å; V307-L310 PolarHBondContact O-N 3.13Å; L310-T312 VanDerWaalsContact C-N 3.33Å; L310-T312 PolarHBondContact O-N 3.23Å; L310-P317 HydrophobicContact CD2-CB 4.05Å; L310-P317 HydrophobicContact CD2-CG 3.61Å; L310-P317 HydrophobicContact CG-CB 4.36Å; L310-P317 HydrophobicContact CG-CG 4.13Å
311	A	98.3	Very high	97.6	Very high	17 Å²	17	30.3 Å²	30.3	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-75.7	-19.7	-178.4	0	0	0	0	0	114.1	L45 F72 I140 V307 F308 K309	L45-A311 HydrophobicContact CD2-CB 3.71Å; F72-A311 HydrophobicContact CE1-CB 3.68Å; F72-A311 HydrophobicContact CZ-CB 3.69Å; I140-A311 HydrophobicContact CD1-CB 3.81Å; V307-A311 WeakPolarHBondContact O-CB 3.12Å; V307-A311 PolarHBondContact O-N 2.8Å; F308-A311 PolarHBondContact O-N 3.45Å; K309-A311 VanDerWaalsContact C-N 3.32Å; K309-A311 PolarHBondContact O-N 3.17Å
312	T	98.3	Very high	97.6	Very high	14 Å²	14	29.8 Å²	29.8	9%	0.086	17%	0.169	C	C	.	.	H	α-helix	trans	-123.4	-14.8	-167.6	62.2	0	0	0	0	113.9	L24 F35 L45 F308 K309 L310 A314	L24-T312 HydrophobicContact CD2-CG2 3.6Å; F35-T312 WeakPolarHBondContact CD2-O 3.3Å; L45-T312 HydrophobicContact CD1-CG2 3.7Å; L45-T312 HydrophobicContact CD2-CG2 3.71Å; L45-T312 HydrophobicContact CG-CG2 4.07Å; F308-T312 HydrophobicContact CD2-CG2 4.26Å; F308-T312 HydrophobicContact CE1-CG2 4.48Å; F308-T312 HydrophobicContact CE2-CG2 4Å; F308-T312 HydrophobicContact CZ-CG2 4.12Å; F308-T312 WeakPolarHBondContact O-CB 2.78Å; F308-T312 VanDerWaalsContact O-CG2 3.26Å; F308-T312 WeakPolarHBondContact O-CG2 3.32Å; F308-T312 PolarHBondContact O-N 3.34Å; F308-T312 PolarHBondContact O-OG1 3.48Å; K309-T312 PolarHBondContact O-N 3.41Å; L310-T312 VanDerWaalsContact C-N 3.33Å; L310-T312 PolarHBondContact O-N 3.23Å; T312-A314 PolarHBondContact O-N 2.84Å; T312-A314 VanDerWaalsContact O-N 3.07Å; T312-A314 VanDerWaalsContact OG1-CB 3.26Å; T312-A314 WeakPolarHBondContact OG1-CB 3.33Å; T312-A314 PolarHBondContact OG1-N 2.98Å; T312-A314 VanDerWaalsContact OG1-N 3.13Å
313	S	98.4	Very high	97.5	Very high	36 Å²	36	31.2 Å²	31.2	25%	0.252	18%	0.175	S	C	.	.			trans	56.5	15.2	-167.2	-58.6	0	0	0	0	113.5	H32 F35 K309 Y315	H32-S313 WeakPolarHBondContact CB-O 3.49Å; H32-S313 PolarHBondContact N-O 2.87Å; F35-S313 WeakPolarHBondContact CB-O 3.41Å; K309-S313 WeakPolarHBondContact O-CA 3.17Å; K309-S313 PolarHBondContact O-N 3.31Å; S313-Y315 PolarHBondContact O-N 2.71Å; S313-Y315 VanDerWaalsContact O-N 3.09Å
314	A	97.9	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-58.8	-31.2	-175.3	0	0	0	0	0	113	T31 F35 F308 T312	T31-A314 WeakPolarHBondContact CA-O 3.49Å; F35-A314 HydrophobicContact CE2-CB 4.26Å; F308-A314 HydrophobicContact CE1-CB 4.14Å; T312-A314 PolarHBondContact O-N 2.84Å; T312-A314 VanDerWaalsContact O-N 3.07Å; T312-A314 VanDerWaalsContact OG1-CB 3.26Å; T312-A314 WeakPolarHBondContact OG1-CB 3.33Å; T312-A314 PolarHBondContact OG1-N 2.98Å; T312-A314 VanDerWaalsContact OG1-N 3.13Å
315	Y	98.6	Very high	97.4	Very high	85 Å²	85	33.7 Å²	33.7	33%	0.333	19%	0.188	S	C	.	.	S	Bend	trans	-145.4	162.3	173.3	-67	-90.7	0	0	0	110.1	F23 F30 S313	F23-Y315 AromaticContact CD1-CE2 3.69Å; F23-Y315 HydrophobicContact CD1-CE2 3.69Å; F23-Y315 HydrophobicContact CE1-CE2 4.12Å; F30-Y315 HydrophobicContact CB-CD1 4.12Å; F30-Y315 HydrophobicContact CB-CE1 4.06Å; F30-Y315 VanDerWaalsContact O-CD1 3.29Å; F30-Y315 WeakPolarHBondContact O-CD1 3.47Å; S313-Y315 PolarHBondContact O-N 2.71Å; S313-Y315 VanDerWaalsContact O-N 3.09Å
316	V	97.9	Very high	97.3	Very high	82 Å²	82	33.3 Å²	33.3	50%	0.497	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-61	128.7	169	-174.3	0	0	0	0	109.7
317	P	97.6	Very high	97	Very high	33 Å²	33	37.4 Å²	37.4	21%	0.214	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-62.3	163	175.4	-22	33.1	0	0	0	112.9	E306 L310 S319	E306-P317 VanDerWaalsContact OE2-CA 3.27Å; E306-P317 WeakPolarHBondContact OE2-CA 3.43Å; L310-P317 HydrophobicContact CD2-CB 4.05Å; L310-P317 HydrophobicContact CD2-CG 3.61Å; L310-P317 HydrophobicContact CG-CB 4.36Å; L310-P317 HydrophobicContact CG-CG 4.13Å; P317-S319 PolarHBondContact O-N 2.74Å
318	L	96.1	Very high	96.8	Very high	29 Å²	29	44.7 Å²	44.7	15%	0.152	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-53.2	128.7	171.5	176.2	69.4	0	0	0	110.5	V191 E306 N320 M322 T334	V191-L318 HydrophobicContact CG2-CB 3.96Å; V191-L318 HydrophobicContact CG2-CD2 4.41Å; E306-L318 HydrophobicContact CG-CB 3.92Å; E306-L318 PolarHBondContact OE2-N 2.84Å; L318-N320 PolarHBondContact O-N 2.83Å; L318-M322 HydrophobicContact CD1-CB 4.34Å; L318-M322 HydrophobicContact CD2-CB 3.96Å; L318-T334 HydrophobicContact CD1-CG2 3.41Å; L318-T334 VanDerWaalsContact CD1-CG2 3.41Å
319	S	92.3	Very high	96.6	Very high	65 Å²	65	45.9 Å²	45.9	46%	0.455	27%	0.267	S	S	.	.			trans	-69.5	78.5	171.7	-58.1	0	0	0	0	110.8	P317 Y321 F335 E336	P317-S319 PolarHBondContact O-N 2.74Å; S319-Y321 PolarHBondContact O-N 2.93Å; S319-F335 CarbonylContact O-C 3.42Å; S319-E336 WeakPolarHBondContact O-CA 3.41Å
320	N	90.5	Very high	96.5	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.048	29%	0.293	C	S	.	.	S	Bend	trans	68.8	-66.7	176	-161.6	-86.9	0	0	0	117.2	R190 V191 A198 L318 A337	R190-N320 CarbonylContact C-O 3.51Å; R190-N320 WeakPolarHBondContact CA-O 3.14Å; R190-N320 WeakPolarHBondContact CB-O 3.37Å; V191-N320 PolarHBondContact N-O 3.24Å; A198-N320 PolarHBondContact O-ND2 2.9Å; L318-N320 PolarHBondContact O-N 2.83Å; N320-A337 HydrophobicContact CB-CB 4.49Å; N320-A337 WeakPolarHBondContact OD1-CB 3.47Å
321	Y	97.2	Very high	96.5	Very high	17 Å²	17	54.4 Å²	54.4	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.9	-161.1	-144.9	-76.2	0	0	0	114.1	N188 R190 L206 S319 V323 T334 F335	N188-Y321 HydrophobicContact CB-CE1 3.65Å; N188-Y321 PolarHBondContact ND2-OH 2.98Å; R190-Y321 HydrophobicContact CB-CD2 4.06Å; R190-Y321 HydrophobicContact CB-CE2 4.42Å; R190-Y321 HydrophobicContact CB-CG 4.48Å; L206-Y321 HydrophobicContact CD1-CE2 4.12Å; S319-Y321 PolarHBondContact O-N 2.93Å; Y321-V323 HydrophobicContact CD1-CG2 3.94Å; Y321-V323 HydrophobicContact CE1-CG2 3.71Å; Y321-T334 VanDerWaalsContact O-CA 3.31Å; Y321-T334 WeakPolarHBondContact O-CA 3.47Å; Y321-F335 WeakPolarHBondContact CB-O 3.45Å; Y321-F335 AromaticContact CD1-CE1 3.7Å; Y321-F335 HydrophobicContact CD1-CE1 3.7Å; Y321-F335 AromaticContact CD1-CZ 3.86Å; Y321-F335 HydrophobicContact CD1-CZ 3.86Å; Y321-F335 HydrophobicContact CD2-CZ 4.42Å; Y321-F335 AromaticContact CG-CE1 3.98Å; Y321-F335 HydrophobicContact CG-CE1 3.98Å; Y321-F335 HydrophobicContact CG-CE2 4.48Å; Y321-F335 AromaticContact CG-CZ 3.79Å; Y321-F335 HydrophobicContact CG-CZ 3.79Å; Y321-F335 PolarHBondContact N-O 3.49Å; Y321-F335 VanDerWaalsContact N-O 3.17Å; Y321-F335 PolarHBondContact O-N 3.47Å
322	M	98	Very high	96.5	Very high	30 Å²	30	57.6 Å²	57.6	15%	0.148	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.9	170.6	177.2	-173.9	134	0	0	110	N188 A189 A302 L318 F324 T332 Y333	N188-M322 CarbonylContact C-O 3.56Å; N188-M322 WeakPolarHBondContact CA-O 3.47Å; N188-M322 VanDerWaalsContact CB-O 3.29Å; N188-M322 WeakPolarHBondContact CB-O 3.41Å; A189-M322 PolarHBondContact N-O 3.31Å; A189-M322 PolarHBondContact O-N 3.24Å; A302-M322 HydrophobicContact CB-CE 4.14Å; A302-M322 HydrophobicContact CB-SD 4.2Å; L318-M322 HydrophobicContact CD1-CB 4.34Å; L318-M322 HydrophobicContact CD2-CB 3.96Å; M322-F324 HydrophobicContact CE-CB 4.42Å; M322-T332 HydrophobicContact CE-CG2 4.04Å; M322-Y333 CarbonylContact C-O 3.56Å; M322-Y333 WeakPolarHBondContact CA-O 3.41Å
323	V	97.5	Very high	96.4	Very high	50 Å²	50	62.9 Å²	62.9	30%	0.303	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.6	170.9	179.5	0	0	0	0	109.4	Y321 T332 Y333 F335	Y321-V323 HydrophobicContact CD1-CG2 3.94Å; Y321-V323 HydrophobicContact CE1-CG2 3.71Å; V323-T332 CarbonylContact O-C 3.58Å; V323-T332 WeakPolarHBondContact O-CA 3.41Å; V323-Y333 PolarHBondContact N-O 3.4Å; V323-Y333 PolarHBondContact O-N 2.88Å; V323-F335 HydrophobicContact CG2-CE1 4.36Å
324	F	98.1	Very high	96.4	Very high	10 Å²	10	64.6 Å²	64.6	4%	0.044	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.7	175.2	172.7	-105.7	0	0	0	110.9	K186 G187 T295 V298 I299 M322 D326 L330 Y331 T332	K186-F324 WeakPolarHBondContact CA-O 3.31Å; G187-F324 PolarHBondContact N-O 3.33Å; G187-F324 PolarHBondContact O-N 3.23Å; T295-F324 HydrophobicContact CG2-CD1 4.18Å; T295-F324 HydrophobicContact CG2-CE1 4.2Å; V298-F324 HydrophobicContact CB-CE1 4.31Å; V298-F324 HydrophobicContact CB-CZ 4.36Å; V298-F324 HydrophobicContact CG1-CD1 4.07Å; V298-F324 HydrophobicContact CG1-CD2 3.83Å; V298-F324 HydrophobicContact CG1-CE1 4.14Å; V298-F324 HydrophobicContact CG1-CE2 3.9Å; V298-F324 HydrophobicContact CG1-CG 3.9Å; V298-F324 HydrophobicContact CG1-CZ 4.03Å; V298-F324 HydrophobicContact CG2-CE1 4.36Å; V298-F324 HydrophobicContact CG2-CE2 4.48Å; V298-F324 HydrophobicContact CG2-CZ 4.03Å; I299-F324 HydrophobicContact CD1-CB 3.89Å; M322-F324 HydrophobicContact CE-CB 4.42Å; F324-D326 HydrophobicContact CE1-CB 3.91Å; F324-D326 HydrophobicContact CE2-CB 4.42Å; F324-D326 HydrophobicContact CZ-CB 3.6Å; F324-L330 HydrophobicContact CE2-CD2 3.91Å; F324-L330 HydrophobicContact CZ-CD2 4.02Å; F324-Y331 CarbonylContact C-O 3.59Å; F324-Y331 WeakPolarHBondContact CA-O 3.16Å; F324-T332 HydrophobicContact CD2-CG2 3.86Å
325	N	97.5	Very high	96.3	Very high	45 Å²	45	67.4 Å²	67.4	24%	0.241	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	129	174.5	-173.2	-4.8	0	0	0	110.4	K186 V327 Y331	K186-N325 HydrophobicContact CG-CB 4.41Å; N325-V327 WeakPolarHBondContact OD1-CB 3.24Å; N325-V327 VanDerWaalsContact OD1-CG2 3.3Å; N325-V327 WeakPolarHBondContact OD1-CG2 3.45Å; N325-V327 PolarHBondContact OD1-N 2.82Å; N325-Y331 HydrophobicContact CB-CD1 4.37Å; N325-Y331 PolarHBondContact N-O 2.81Å; N325-Y331 PolarHBondContact O-N 3.21Å
326	D	96	Very high	96.3	Very high	60 Å²	60	70.2 Å²	70.2	32%	0.321	38%	0.381	S	S	.	.			trans	-123	28.8	-179.9	-167.3	19	0	0	0	112.7	F185 F324 G329 L330	F185-D326 HydrophobicContact CB-CB 4.4Å; F185-D326 PolarHBondContact O-N 2.95Å; F324-D326 HydrophobicContact CE1-CB 3.91Å; F324-D326 HydrophobicContact CE2-CB 4.42Å; F324-D326 HydrophobicContact CZ-CB 3.6Å; D326-G329 WeakPolarHBondContact CA-O 3.48Å; D326-L330 HydrophobicContact CB-CD2 4.01Å; D326-L330 WeakPolarHBondContact OD1-CD2 3.49Å
327	V	93	Very high	96.1	Very high	101 Å²	101	66.9 Å²	66.9	61%	0.612	36%	0.361	S	S	*	.	S	Bend	trans	-80.5	-36.5	175.8	176	0	0	0	0	111.7	F185 N325	F185-V327 HydrophobicContact CB-CG2 3.92Å; N325-V327 WeakPolarHBondContact OD1-CB 3.24Å; N325-V327 VanDerWaalsContact OD1-CG2 3.3Å; N325-V327 WeakPolarHBondContact OD1-CG2 3.45Å; N325-V327 PolarHBondContact OD1-N 2.82Å
328	D	93.6	Very high	96	Very high	152 Å²	152	73.7 Å²	73.7	81%	0.813	39%	0.39	S	S	*	.	S	Bend	trans	-137.8	96	179.7	-173.3	6.9	0	0	0	109.4
329	G	95.2	Very high	96	Very high	49 Å²	49	77 Å²	77	51%	0.505	40%	0.401	S	S	.	.	S	Bend	trans	60.2	-165.9	-165.6	0	0	0	0	0	112.3	D326	D326-G329 WeakPolarHBondContact CA-O 3.48Å
330	L	96.8	Very high	96	Very high	137 Å²	137	76.8 Å²	76.8	72%	0.717	39%	0.392	S	S	*	.			trans	-103.5	119.3	176.2	-67.1	169.7	0	0	0	109.8	F324 D326	F324-L330 HydrophobicContact CE2-CD2 3.91Å; F324-L330 HydrophobicContact CZ-CD2 4.02Å; D326-L330 HydrophobicContact CB-CD2 4.01Å; D326-L330 WeakPolarHBondContact OD1-CD2 3.49Å
331	Y	97.5	Very high	95.9	Very high	122 Å²	122	84.8 Å²	84.8	48%	0.478	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.3	178.4	176.1	-103.3	0	0	0	111.4	F324 N325 Y333	F324-Y331 CarbonylContact C-O 3.59Å; F324-Y331 WeakPolarHBondContact CA-O 3.16Å; N325-Y331 HydrophobicContact CB-CD1 4.37Å; N325-Y331 PolarHBondContact N-O 2.81Å; N325-Y331 PolarHBondContact O-N 3.21Å; Y331-Y333 WeakPolarHBondContact OH-CB 3.33Å
332	T	98.1	Very high	95.5	Very high	83 Å²	83	89.2 Å²	89.2	51%	0.509	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.9	167.9	55.8	0	0	0	0	110.7	M322 V323 F324	M322-T332 HydrophobicContact CE-CG2 4.04Å; V323-T332 CarbonylContact O-C 3.58Å; V323-T332 WeakPolarHBondContact O-CA 3.41Å; F324-T332 HydrophobicContact CD2-CG2 3.86Å
333	Y	97.6	Very high	95.2	Very high	125 Å²	125	88.1 Å²	88.1	49%	0.49	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.5	172.7	-177.6	-117	0	0	0	110.1	M322 V323 Y331 F335	M322-Y333 CarbonylContact C-O 3.56Å; M322-Y333 WeakPolarHBondContact CA-O 3.41Å; V323-Y333 PolarHBondContact N-O 3.4Å; V323-Y333 PolarHBondContact O-N 2.88Å; Y331-Y333 WeakPolarHBondContact OH-CB 3.33Å; Y333-F335 AromaticContact CD1-CD1 3.58Å; Y333-F335 HydrophobicContact CD1-CD1 3.58Å; Y333-F335 HydrophobicContact CD1-CE1 4.24Å; Y333-F335 HydrophobicContact CD1-CG 4.4Å; Y333-F335 HydrophobicContact CE1-CB 3.8Å; Y333-F335 AromaticContact CE1-CD1 3.46Å; Y333-F335 HydrophobicContact CE1-CD1 3.46Å; Y333-F335 VanDerWaalsContact CE1-CD1 3.46Å; Y333-F335 HydrophobicContact CE1-CE1 4.31Å; Y333-F335 AromaticContact CE1-CG 3.86Å; Y333-F335 HydrophobicContact CE1-CG 3.86Å
334	T	97.9	Very high	94.6	Very high	72 Å²	72	86.6 Å²	86.6	44%	0.442	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.9	-179.6	-63.7	0	0	0	0	108.9	L318 Y321	L318-T334 HydrophobicContact CD1-CG2 3.41Å; L318-T334 VanDerWaalsContact CD1-CG2 3.41Å; Y321-T334 VanDerWaalsContact O-CA 3.31Å; Y321-T334 WeakPolarHBondContact O-CA 3.47Å
335	F	96.1	Very high	94.2	Very high	59 Å²	59	86.7 Å²	86.7	26%	0.259	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.8	178.6	68.7	-82.5	0	0	0	110.5	L206 S319 Y321 V323 Y333 A337	L206-F335 HydrophobicContact CD1-CZ 4.26Å; S319-F335 CarbonylContact O-C 3.42Å; Y321-F335 WeakPolarHBondContact CB-O 3.45Å; Y321-F335 AromaticContact CD1-CE1 3.7Å; Y321-F335 HydrophobicContact CD1-CE1 3.7Å; Y321-F335 AromaticContact CD1-CZ 3.86Å; Y321-F335 HydrophobicContact CD1-CZ 3.86Å; Y321-F335 HydrophobicContact CD2-CZ 4.42Å; Y321-F335 AromaticContact CG-CE1 3.98Å; Y321-F335 HydrophobicContact CG-CE1 3.98Å; Y321-F335 HydrophobicContact CG-CE2 4.48Å; Y321-F335 AromaticContact CG-CZ 3.79Å; Y321-F335 HydrophobicContact CG-CZ 3.79Å; Y321-F335 PolarHBondContact N-O 3.49Å; Y321-F335 VanDerWaalsContact N-O 3.17Å; Y321-F335 PolarHBondContact O-N 3.47Å; V323-F335 HydrophobicContact CG2-CE1 4.36Å; Y333-F335 AromaticContact CD1-CD1 3.58Å; Y333-F335 HydrophobicContact CD1-CD1 3.58Å; Y333-F335 HydrophobicContact CD1-CE1 4.24Å; Y333-F335 HydrophobicContact CD1-CG 4.4Å; Y333-F335 HydrophobicContact CE1-CB 3.8Å; Y333-F335 AromaticContact CE1-CD1 3.46Å; Y333-F335 HydrophobicContact CE1-CD1 3.46Å; Y333-F335 VanDerWaalsContact CE1-CD1 3.46Å; Y333-F335 HydrophobicContact CE1-CE1 4.31Å; Y333-F335 AromaticContact CE1-CG 3.86Å; Y333-F335 HydrophobicContact CE1-CG 3.86Å; F335-A337 HydrophobicContact CE2-CB 3.99Å
336	E	97.1	Very high	93.9	Very high	145 Å²	145	84.6 Å²	84.6	68%	0.678	43%	0.432	S	S	*	.			trans	-86.2	111.7	174.1	-169.5	174	161.2	0	0	109.4	S319	S319-E336 WeakPolarHBondContact O-CA 3.41Å
337	A	95.3	Very high	93.5	Very high	11 Å²	11	82.8 Å²	82.8	9%	0.091	42%	0.424	C	S	.	.			trans	-73.8	131.3	173.8	0	0	0	0	0	110	A198 T203 N320 F335	A198-A337 HydrophobicContact CB-CB 4.07Å; A198-A337 VanDerWaalsContact CB-O 3.25Å; A198-A337 WeakPolarHBondContact CB-O 3.24Å; T203-A337 HydrophobicContact CG2-CB 3.71Å; N320-A337 HydrophobicContact CB-CB 4.49Å; N320-A337 WeakPolarHBondContact OD1-CB 3.47Å; F335-A337 HydrophobicContact CE2-CB 3.99Å
338	E	95.4	Very high	92.9	Very high	177 Å²	177	83.7 Å²	83.7	83%	0.827	42%	0.421	S	S	*	.			trans	-71.1	135.7	179.2	-66.6	-175.6	175.2	0	0	111.6	K340	E338-K340 PolarHBondContact O-N 2.89Å
339	R	95.1	Very high	92.2	Very high	99 Å²	99	82.3 Å²	82.3	37%	0.374	41%	0.413	S	S	.	.			trans	-73.6	114.9	172.4	-177.4	-178.5	170.8	-153.5	0.4	108.9	G195 A198 E341 C346	G195-R339 PolarHBondContact O-NH1 3.18Å; G195-R339 PolarHBondContact O-NH2 3.26Å; A198-R339 HydrophobicContact CB-CB 4.4Å; R339-E341 PolarHBondContact O-N 2.88Å; R339-C346 PolarHBondContact NH2-O 3.43Å
340	K	92.7	Very high	91.3	Very high	60 Å²	60	82.4 Å²	82.4	26%	0.261	40%	0.404	S	S	.	.			trans	-61.6	119.2	174.2	-69.2	-177.5	175.7	172.9	0	110.3	C202 E205 E338 N342 C343	C202-K340 HydrophobicContact CB-CG 4.44Å; C202-K340 WeakPolarHBondContact O-CD 3.21Å; C202-K340 WeakPolarHBondContact O-CE 3.33Å; C202-K340 PolarHBondContact O-NZ 2.88Å; E205-K340 IonicContact OE1-NZ 3.47Å; E205-K340 PolarHBondContact OE1-NZ 3.24Å; E205-K340 IonicContact OE2-NZ 2.73Å; E205-K340 PolarHBondContact OE2-NZ 3.43Å; E338-K340 PolarHBondContact O-N 2.89Å; K340-N342 PolarHBondContact O-N 2.97Å; K340-C343 HydrophobicContact CB-CB 4.05Å; K340-C343 WeakPolarHBondContact O-CB 3.31Å; K340-C343 PolarHBondContact O-N 3.22Å
341	E	89	Confident	90.8	Very high	176 Å²	176	77.3 Å²	77.3	82%	0.822	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.5	178.4	-65.6	-176	170.1	0	0	112.4	R339 C343 S347	R339-E341 PolarHBondContact O-N 2.88Å; E341-C343 VanDerWaalsContact C-N 3.35Å; E341-S347 VanDerWaalsContact O-CB 3.26Å; E341-S347 WeakPolarHBondContact O-CB 3.25Å; E341-S347 PolarHBondContact O-OG 3.09Å
342	N	88.3	Confident	90.4	Very high	111 Å²	111	74.1 Å²	74.1	59%	0.594	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	25.7	176.6	68.1	-14.8	0	0	0	112.5	K340 S344 Q351	K340-N342 PolarHBondContact O-N 2.97Å; N342-S344 PolarHBondContact O-N 2.81Å; N342-Q351 PolarHBondContact O-NE2 2.98Å
343	C	90.8	Very high	90	Very high	6 Å²	6	70.2 Å²	70.2	4%	0.041	34%	0.344	C	S	.	.			trans	-58	134.2	178.6	-176.8	0	0	0	0	111.2	C199 C202 K340 E341 A345 C346 S347	C199-C343 VanDerWaalsContact SG-SG 3.66Å; C202-C343 VanDerWaalsContact SG-SG 3.63Å; K340-C343 HydrophobicContact CB-CB 4.05Å; K340-C343 WeakPolarHBondContact O-CB 3.31Å; K340-C343 PolarHBondContact O-N 3.22Å; E341-C343 VanDerWaalsContact C-N 3.35Å; C343-A345 PolarHBondContact O-N 3.46Å; C343-C346 VanDerWaalsContact CB-SG 3.53Å; C343-C346 VanDerWaalsContact SG-SG 3.62Å; C343-S347 WeakPolarHBondContact O-CB 3.34Å; C343-S347 PolarHBondContact O-N 2.85Å
344	S	86.1	Confident	89.8	Confident	19 Å²	19	72.8 Å²	72.8	13%	0.133	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.3	-176.5	70.1	0	0	0	0	113.3	N342 Q351 L374 M434	N342-S344 PolarHBondContact O-N 2.81Å; S344-Q351 VanDerWaalsContact N-NE2 3.12Å; S344-L374 VanDerWaalsContact CB-CD2 3.44Å; S344-M434 WeakPolarHBondContact O-CE 3.35Å; S344-M434 WeakPolarHBondContact OG-CE 3.45Å
345	A	90.1	Very high	89.7	Confident	12 Å²	12	70.5 Å²	70.5	10%	0.099	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-52.1	-179	0	0	0	0	0	113	L159 D201 C343	L159-A345 HydrophobicContact CD1-CB 3.82Å; D201-A345 HydrophobicContact CB-CB 3.83Å; C343-A345 PolarHBondContact O-N 3.46Å
346	C	91.3	Very high	89.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	4.3	-171.3	74.2	0	0	0	0	115	L159 C199 C202 R339 C343	L159-C346 HydrophobicContact CD1-CB 3.92Å; L159-C346 HydrophobicContact CD2-CB 3.59Å; L159-C346 HydrophobicContact CG-CB 4.44Å; C199-C346 HydrophobicContact CB-CB 4.12Å; C199-C346 VanDerWaalsContact SG-SG 3.64Å; C202-C346 VanDerWaalsContact SG-SG 3.63Å; R339-C346 PolarHBondContact NH2-O 3.43Å; C343-C346 VanDerWaalsContact CB-SG 3.53Å; C343-C346 VanDerWaalsContact SG-SG 3.62Å
347	S	87.8	Confident	89.3	Confident	22 Å²	22	64.9 Å²	64.9	15%	0.154	32%	0.318	C	S	.	.			trans	-88.8	140.8	171.7	-167.4	0	0	0	0	110	E341 C343 I349	E341-S347 VanDerWaalsContact O-CB 3.26Å; E341-S347 WeakPolarHBondContact O-CB 3.25Å; E341-S347 PolarHBondContact O-OG 3.09Å; C343-S347 WeakPolarHBondContact O-CB 3.34Å; C343-S347 PolarHBondContact O-N 2.85Å; S347-I349 VanDerWaalsContact C-N 3.27Å; S347-I349 PolarHBondContact OG-N 3.14Å
348	Q	80.1	Confident	89.3	Confident	121 Å²	121	68.6 Å²	68.6	57%	0.565	34%	0.343	S	S	*	.	S	Bend	trans	-83.7	-6.6	173	-64	-58.4	-48.8	0	0	112.3	Y164	Y164-Q348 HydrophobicContact CD1-CG 4.45Å; Y164-Q348 HydrophobicContact CE1-CG 3.92Å; Y164-Q348 HydrophobicContact CE2-CG 4.42Å; Y164-Q348 PolarHBondContact OH-NE2 2.92Å
349	I	78	Confident	89.3	Confident	123 Å²	123	60.7 Å²	60.7	63%	0.631	31%	0.308	S	S	*	.	S	Bend	trans	-93.5	123.9	-178.3	-56.2	174.3	0	0	0	108.8	S347 Q351	S347-I349 VanDerWaalsContact C-N 3.27Å; S347-I349 PolarHBondContact OG-N 3.14Å; I349-Q351 PolarHBondContact O-N 2.96Å
350	P	77.2	Confident	89.4	Confident	50 Å²	50	57.6 Å²	57.6	33%	0.325	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-56.1	138.7	174	-25	34	0	0	0	111.7
351	Q	84.6	Confident	89.5	Confident	30 Å²	30	54.8 Å²	54.8	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.5	177.8	-73.8	-164.8	0.3	0	0	112	N342 S344 I349 L435 F436 R437	N342-Q351 PolarHBondContact O-NE2 2.98Å; S344-Q351 VanDerWaalsContact N-NE2 3.12Å; I349-Q351 PolarHBondContact O-N 2.96Å; Q351-L435 PolarHBondContact N-O 3.13Å; Q351-F436 HydrophobicContact CB-CD1 3.66Å; Q351-F436 HydrophobicContact CB-CE1 3.82Å; Q351-F436 HydrophobicContact CG-CE1 4.48Å; Q351-F436 CarbonylContact O-C 3.57Å; Q351-F436 VanDerWaalsContact O-CA 3.26Å; Q351-F436 WeakPolarHBondContact O-CA 3.36Å; Q351-R437 PolarHBondContact O-N 3.37Å
352	D	89.5	Confident	89.8	Confident	55 Å²	55	49.9 Å²	49.9	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.8	177.2	-73.8	2.8	0	0	0	111.9	R437	D352-R437 CarbonylContact C-O 3.59Å; D352-R437 WeakPolarHBondContact CA-O 3.46Å; D352-R437 IonicContact OD1-CZ 3.22Å; D352-R437 IonicContact OD1-NE 2.75Å; D352-R437 PolarHBondContact OD1-NE 3.23Å; D352-R437 IonicContact OD1-NH2 3.15Å; D352-R437 PolarHBondContact OD1-NH2 3.04Å; D352-R437 IonicContact OD2-CZ 3.68Å; D352-R437 IonicContact OD2-NE 3.31Å; D352-R437 IonicContact OD2-NH2 3.74Å; D352-R437 PolarHBondContact OD2-NH2 2.85Å
353	L	91.1	Very high	90.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.1	170.3	-70.8	-178.2	0	0	0	109.6	F355 V364 Y367 L423 F436 R437 L438 C439	L353-F355 HydrophobicContact CB-CD2 4.03Å; L353-F355 HydrophobicContact CB-CE2 3.88Å; L353-F355 HydrophobicContact CD2-CE2 4.32Å; L353-F355 HydrophobicContact CG-CE2 4.48Å; L353-V364 HydrophobicContact CD1-CG1 4.41Å; L353-Y367 HydrophobicContact CD2-CD1 3.71Å; L353-Y367 HydrophobicContact CD2-CE1 3.35Å; L353-L423 HydrophobicContact CD1-CD1 4.12Å; L353-F436 HydrophobicContact CD1-CB 3.51Å; L353-F436 HydrophobicContact CD1-CD1 3.87Å; L353-F436 HydrophobicContact CD1-CG 3.74Å; L353-F436 HydrophobicContact CD2-CD1 3.77Å; L353-F436 HydrophobicContact CD2-CE1 4.22Å; L353-F436 HydrophobicContact CD2-CG 4.49Å; L353-F436 HydrophobicContact CG-CB 3.79Å; L353-F436 HydrophobicContact CG-CD1 3.64Å; L353-F436 HydrophobicContact CG-CG 3.98Å; L353-R437 PolarHBondContact N-O 2.89Å; L353-L438 HydrophobicContact CB-CD1 4.42Å; L353-C439 PolarHBondContact O-N 3.18Å
354	R	93.4	Very high	90.3	Very high	180 Å²	180	48 Å²	48	68%	0.679	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.4	-177.2	-63.7	-176.9	-176.2	-164.1	0.5	110.6	C439 T441	R354-C439 WeakPolarHBondContact CA-O 3.34Å; R354-C439 HydrophobicContact CG-CB 4.28Å; R354-T441 HydrophobicContact CB-CG2 4.01Å; R354-T441 HydrophobicContact CG-CG2 4.41Å
355	F	94.6	Very high	90.7	Very high	23 Å²	23	47.5 Å²	47.5	10%	0.101	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162	180	-71.6	-82.3	0	0	0	110.6	L353 E363 V364 Y367 L412 L438 C439 F440 T441	L353-F355 HydrophobicContact CB-CD2 4.03Å; L353-F355 HydrophobicContact CB-CE2 3.88Å; L353-F355 HydrophobicContact CD2-CE2 4.32Å; L353-F355 HydrophobicContact CG-CE2 4.48Å; F355-E363 HydrophobicContact CE1-CB 4.37Å; F355-V364 HydrophobicContact CD1-CG2 4.21Å; F355-V364 HydrophobicContact CD2-CG2 4.02Å; F355-V364 HydrophobicContact CE1-CG2 4.1Å; F355-V364 HydrophobicContact CE2-CB 4.43Å; F355-V364 HydrophobicContact CE2-CG1 4.35Å; F355-V364 HydrophobicContact CE2-CG2 3.9Å; F355-V364 HydrophobicContact CG-CG2 4.18Å; F355-V364 HydrophobicContact CZ-CB 4.28Å; F355-V364 HydrophobicContact CZ-CG2 3.95Å; F355-Y367 HydrophobicContact CZ-CD1 4.27Å; F355-Y367 AromaticContact CZ-CG 3.94Å; F355-Y367 HydrophobicContact CZ-CG 3.94Å; F355-L412 HydrophobicContact CB-CD1 3.71Å; F355-L412 HydrophobicContact CG-CD1 4.25Å; F355-L438 HydrophobicContact CB-CD1 4.4Å; F355-L438 HydrophobicContact CD2-CD1 4.12Å; F355-C439 PolarHBondContact N-O 3.18Å; F355-F440 CarbonylContact O-C 3.57Å; F355-F440 VanDerWaalsContact O-CA 3.26Å; F355-F440 WeakPolarHBondContact O-CA 3.29Å; F355-T441 PolarHBondContact O-N 3.25Å; F355-T441 PolarHBondContact O-OG1 2.68Å
356	T	93.6	Very high	90.8	Very high	45 Å²	45	49.8 Å²	49.8	28%	0.276	26%	0.258	S	S	.	.			trans	-83.6	155	169.8	65.2	0	0	0	0	109.8	S358 S359	T356-S358 PolarHBondContact O-N 3.13Å; T356-S358 VanDerWaalsContact O-N 3.09Å; T356-S358 PolarHBondContact OG1-OG 2.9Å; T356-S359 PolarHBondContact N-OG 3.22Å; T356-S359 VanDerWaalsContact O-CB 3.26Å; T356-S359 WeakPolarHBondContact O-CB 3.41Å; T356-S359 PolarHBondContact O-N 2.99Å; T356-S359 PolarHBondContact OG1-N 3.12Å; T356-S359 PolarHBondContact OG1-OG 3.17Å
357	P	92.4	Very high	90.9	Very high	41 Å²	41	54.1 Å²	54.1	27%	0.266	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.6	176	-24.5	33.6	0	0	0	113.8	R413 F440	P357-R413 HydrophobicContact CB-CB 4.45Å; P357-R413 WeakPolarHBondContact O-CB 3.14Å; P357-R413 PolarHBondContact O-N 3.46Å; P357-F440 HydrophobicContact CB-CD2 4.37Å; P357-F440 HydrophobicContact CB-CE2 4.38Å; P357-F440 HydrophobicContact CB-CG 4.49Å; P357-F440 HydrophobicContact CG-CB 4.1Å; P357-F440 HydrophobicContact CG-CD1 4.26Å; P357-F440 HydrophobicContact CG-CD2 3.99Å; P357-F440 HydrophobicContact CG-CE2 4.49Å; P357-F440 HydrophobicContact CG-CG 3.88Å
358	S	94	Very high	91.2	Very high	89 Å²	89	53.1 Å²	53.1	62%	0.622	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.5	177.5	45.5	0	0	0	0	114.2	T356	T356-S358 PolarHBondContact O-N 3.13Å; T356-S358 VanDerWaalsContact O-N 3.09Å; T356-S358 PolarHBondContact OG1-OG 2.9Å
359	S	95.1	Very high	91.7	Very high	11 Å²	11	50.2 Å²	50.2	8%	0.077	26%	0.259	C	S	.	.			trans	-56.7	144.6	176.6	-77.5	0	0	0	0	110.5	T356 E363 S411 L412	T356-S359 PolarHBondContact N-OG 3.22Å; T356-S359 VanDerWaalsContact O-CB 3.26Å; T356-S359 WeakPolarHBondContact O-CB 3.41Å; T356-S359 PolarHBondContact O-N 2.99Å; T356-S359 PolarHBondContact OG1-N 3.12Å; T356-S359 PolarHBondContact OG1-OG 3.17Å; S359-E363 VanDerWaalsContact CA-OE2 3.26Å; S359-E363 WeakPolarHBondContact CA-OE2 3.32Å; S359-E363 WeakPolarHBondContact CB-OE2 3.09Å; S359-E363 PolarHBondContact OG-OE2 2.93Å; S359-S411 CarbonylContact O-C 3.47Å; S359-S411 VanDerWaalsContact O-CA 3.23Å; S359-S411 WeakPolarHBondContact O-CA 3.31Å; S359-L412 WeakPolarHBondContact O-CG 3.42Å; S359-L412 PolarHBondContact O-N 3.29Å
360	T	96.9	Very high	92.2	Very high	35 Å²	35	51.6 Å²	51.6	22%	0.215	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-84.2	158.2	179.7	58.9	0	0	0	0	112	Q362 E363 V364 K410	T360-Q362 PolarHBondContact O-N 3.26Å; T360-E363 PolarHBondContact N-OE1 3.28Å; T360-E363 WeakPolarHBondContact O-CB 3.2Å; T360-E363 PolarHBondContact O-N 3.06Å; T360-E363 VanDerWaalsContact O-N 3.13Å; T360-E363 WeakPolarHBondContact OG1-CG 3.01Å; T360-E363 PolarHBondContact OG1-N 2.59Å; T360-E363 PolarHBondContact OG1-OE1 2.84Å; T360-V364 PolarHBondContact O-N 2.95Å; T360-K410 WeakPolarHBondContact CA-O 3.39Å
361	L	95.4	Very high	92.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-30.1	170.8	-178.4	64.3	0	0	0	111.9	E363 V364 L365 L392 N407 L408 K410 L415	L361-E363 VanDerWaalsContact C-N 3.34Å; L361-E363 PolarHBondContact O-N 2.73Å; L361-V364 PolarHBondContact O-N 3.29Å; L361-L365 PolarHBondContact O-N 3.42Å; L361-L392 HydrophobicContact CD1-CB 4.29Å; L361-L392 HydrophobicContact CD1-CD1 4.31Å; L361-L392 HydrophobicContact CD2-CB 3.83Å; L361-N407 HydrophobicContact CD2-CB 3.96Å; L361-L408 HydrophobicContact CD2-CD2 4.4Å; L361-L408 HydrophobicContact CG-CD2 4.45Å; L361-K410 PolarHBondContact N-O 3.49Å; L361-K410 VanDerWaalsContact N-O 3.11Å; L361-L415 HydrophobicContact CB-CD1 3.74Å; L361-L415 HydrophobicContact CD1-CD1 4.47Å; L361-L415 HydrophobicContact CD2-CD1 3.98Å; L361-L415 HydrophobicContact CG-CD1 4.29Å
362	Q	95.7	Very high	92.7	Very high	72 Å²	72	51.5 Å²	51.5	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-41	173.3	-172.1	64	61.6	0	0	112.1	T360 V364 L365 N366 L408	T360-Q362 PolarHBondContact O-N 3.26Å; Q362-V364 VanDerWaalsContact C-N 3.3Å; Q362-V364 PolarHBondContact O-N 3.5Å; Q362-L365 PolarHBondContact O-N 3Å; Q362-N366 PolarHBondContact NE2-OD1 3.12Å; Q362-N366 WeakPolarHBondContact O-CB 3.41Å; Q362-N366 PolarHBondContact O-N 2.9Å; Q362-N366 PolarHBondContact O-OD1 3.38Å; Q362-L408 HydrophobicContact CB-CB 4.44Å; Q362-L408 WeakPolarHBondContact CB-O 3.35Å; Q362-L408 PolarHBondContact N-O 2.88Å; Q362-L408 VanDerWaalsContact N-O 3.07Å
363	E	94.6	Very high	92.4	Very high	79 Å²	79	50.9 Å²	50.9	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-39.4	175.6	-74.1	156.4	-124.4	0	0	112	F355 S359 T360 L361 N366 Y367	F355-E363 HydrophobicContact CE1-CB 4.37Å; S359-E363 VanDerWaalsContact CA-OE2 3.26Å; S359-E363 WeakPolarHBondContact CA-OE2 3.32Å; S359-E363 WeakPolarHBondContact CB-OE2 3.09Å; S359-E363 PolarHBondContact OG-OE2 2.93Å; T360-E363 PolarHBondContact N-OE1 3.28Å; T360-E363 WeakPolarHBondContact O-CB 3.2Å; T360-E363 PolarHBondContact O-N 3.06Å; T360-E363 VanDerWaalsContact O-N 3.13Å; T360-E363 WeakPolarHBondContact OG1-CG 3.01Å; T360-E363 PolarHBondContact OG1-N 2.59Å; T360-E363 PolarHBondContact OG1-OE1 2.84Å; L361-E363 VanDerWaalsContact C-N 3.34Å; L361-E363 PolarHBondContact O-N 2.73Å; E363-N366 PolarHBondContact O-N 2.74Å; E363-Y367 PolarHBondContact O-N 2.81Å
364	V	94.3	Very high	92.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-46.1	175.5	179.9	0	0	0	0	110.8	L353 F355 T360 L361 Q362 N366 Y367 L368 L412	L353-V364 HydrophobicContact CD1-CG1 4.41Å; F355-V364 HydrophobicContact CD1-CG2 4.21Å; F355-V364 HydrophobicContact CD2-CG2 4.02Å; F355-V364 HydrophobicContact CE1-CG2 4.1Å; F355-V364 HydrophobicContact CE2-CB 4.43Å; F355-V364 HydrophobicContact CE2-CG1 4.35Å; F355-V364 HydrophobicContact CE2-CG2 3.9Å; F355-V364 HydrophobicContact CG-CG2 4.18Å; F355-V364 HydrophobicContact CZ-CB 4.28Å; F355-V364 HydrophobicContact CZ-CG2 3.95Å; T360-V364 PolarHBondContact O-N 2.95Å; L361-V364 PolarHBondContact O-N 3.29Å; Q362-V364 VanDerWaalsContact C-N 3.3Å; Q362-V364 PolarHBondContact O-N 3.5Å; V364-N366 VanDerWaalsContact C-N 3.35Å; V364-N366 PolarHBondContact O-N 2.98Å; V364-Y367 WeakPolarHBondContact O-CB 3.21Å; V364-Y367 PolarHBondContact O-N 3.44Å; V364-L368 HydrophobicContact CG1-CD1 4.21Å; V364-L368 HydrophobicContact CG1-CG 4.5Å; V364-L368 WeakPolarHBondContact O-CG 3.1Å; V364-L368 PolarHBondContact O-N 3.08Å; V364-L412 HydrophobicContact CG2-CD1 4.1Å; V364-L412 HydrophobicContact CG2-CD2 3.78Å; V364-L412 HydrophobicContact CG2-CG 4.48Å
365	L	94.4	Very high	91.9	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-39.8	177.5	-70.9	170.7	0	0	0	112.5	L361 Q362 Y367 L368 T369 P379 V381 Y393 L408	L361-L365 PolarHBondContact O-N 3.42Å; Q362-L365 PolarHBondContact O-N 3Å; L365-Y367 VanDerWaalsContact C-N 3.33Å; L365-L368 PolarHBondContact O-N 2.99Å; L365-T369 WeakPolarHBondContact O-CB 3.48Å; L365-T369 PolarHBondContact O-N 2.88Å; L365-T369 PolarHBondContact O-OG1 2.88Å; L365-P379 HydrophobicContact CD2-CB 4.36Å; L365-P379 HydrophobicContact CD2-CG 3.88Å; L365-V381 HydrophobicContact CD2-CG2 3.68Å; L365-Y393 HydrophobicContact CD1-CD1 3.35Å; L365-Y393 HydrophobicContact CD1-CE1 3.75Å; L365-Y393 HydrophobicContact CD1-CG 3.86Å; L365-Y393 HydrophobicContact CD2-CD1 3.96Å; L365-Y393 HydrophobicContact CG-CD1 4.32Å; L365-L408 HydrophobicContact CD1-CD2 3.19Å
366	N	93.2	Very high	91.7	Very high	60 Å²	60	45 Å²	45	32%	0.321	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-46	175.2	-67	-4	0	0	0	109.9	Q362 E363 V364 L368 T369 E370	Q362-N366 PolarHBondContact NE2-OD1 3.12Å; Q362-N366 WeakPolarHBondContact O-CB 3.41Å; Q362-N366 PolarHBondContact O-N 2.9Å; Q362-N366 PolarHBondContact O-OD1 3.38Å; E363-N366 PolarHBondContact O-N 2.74Å; V364-N366 VanDerWaalsContact C-N 3.35Å; V364-N366 PolarHBondContact O-N 2.98Å; N366-L368 PolarHBondContact O-N 2.98Å; N366-T369 PolarHBondContact O-N 3.3Å; N366-E370 VanDerWaalsContact O-CB 3.24Å; N366-E370 WeakPolarHBondContact O-CB 3.41Å; N366-E370 WeakPolarHBondContact O-CG 3.32Å; N366-E370 PolarHBondContact O-N 3.43Å
367	Y	93.4	Very high	91.5	Very high	91 Å²	91	48 Å²	48	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-48.3	175.7	175.8	-94.4	0	0	0	112.7	L353 F355 E363 V364 L365 T369 S371 L374	L353-Y367 HydrophobicContact CD2-CD1 3.71Å; L353-Y367 HydrophobicContact CD2-CE1 3.35Å; F355-Y367 HydrophobicContact CZ-CD1 4.27Å; F355-Y367 AromaticContact CZ-CG 3.94Å; F355-Y367 HydrophobicContact CZ-CG 3.94Å; E363-Y367 PolarHBondContact O-N 2.81Å; V364-Y367 WeakPolarHBondContact O-CB 3.21Å; V364-Y367 PolarHBondContact O-N 3.44Å; L365-Y367 VanDerWaalsContact C-N 3.33Å; Y367-T369 PolarHBondContact O-N 3.44Å; Y367-S371 WeakPolarHBondContact O-CB 3.29Å; Y367-S371 PolarHBondContact O-N 2.96Å; Y367-L374 HydrophobicContact CD1-CD1 4.35Å; Y367-L374 HydrophobicContact CE1-CD1 3.83Å
368	L	93.1	Very high	91.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-32.2	179.3	-67.3	173.2	0	0	0	112.4	V364 L365 N366 L374 M376 P379 V381 V425 F436	V364-L368 HydrophobicContact CG1-CD1 4.21Å; V364-L368 HydrophobicContact CG1-CG 4.5Å; V364-L368 WeakPolarHBondContact O-CG 3.1Å; V364-L368 PolarHBondContact O-N 3.08Å; L365-L368 PolarHBondContact O-N 2.99Å; N366-L368 PolarHBondContact O-N 2.98Å; L368-L374 HydrophobicContact CD2-CD1 3.72Å; L368-M376 HydrophobicContact CB-SD 4.01Å; L368-M376 HydrophobicContact CD2-CE 4.32Å; L368-M376 HydrophobicContact CD2-SD 4.21Å; L368-M376 HydrophobicContact CG-SD 4.48Å; L368-M376 WeakPolarHBondContact O-CB 3.32Å; L368-M376 PolarHBondContact O-N 3.3Å; L368-M376 VanDerWaalsContact O-N 3.09Å; L368-P379 HydrophobicContact CB-CB 4.38Å; L368-P379 HydrophobicContact CB-CG 4.05Å; L368-P379 HydrophobicContact CD1-CB 4.15Å; L368-P379 HydrophobicContact CD1-CG 4.42Å; L368-V381 HydrophobicContact CD1-CG2 4.02Å; L368-V425 HydrophobicContact CD1-CG1 4.03Å; L368-V425 HydrophobicContact CD1-CG2 4.15Å; L368-F436 HydrophobicContact CD2-CE1 4.34Å; L368-F436 HydrophobicContact CD2-CE2 4.25Å; L368-F436 HydrophobicContact CD2-CZ 4.03Å
369	T	90.7	Very high	91.2	Very high	61 Å²	61	43.5 Å²	43.5	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-86.2	-41.7	-177.4	-52.1	0	0	0	0	112.5	L365 N366 Y367	L365-T369 WeakPolarHBondContact O-CB 3.48Å; L365-T369 PolarHBondContact O-N 2.88Å; L365-T369 PolarHBondContact O-OG1 2.88Å; N366-T369 PolarHBondContact O-N 3.3Å; Y367-T369 PolarHBondContact O-N 3.44Å
370	E	89.3	Confident	91.2	Very high	151 Å²	151	43.4 Å²	43.4	71%	0.706	23%	0.229	S	C	*	.	H	α-helix	trans	-94.4	-20.9	-171.1	-63.5	176	-178.9	0	0	113.2	N366 A372	N366-E370 VanDerWaalsContact O-CB 3.24Å; N366-E370 WeakPolarHBondContact O-CB 3.41Å; N366-E370 WeakPolarHBondContact O-CG 3.32Å; N366-E370 PolarHBondContact O-N 3.43Å; E370-A372 PolarHBondContact O-N 3.36Å
371	S	88.2	Confident	91.1	Very high	22 Å²	22	41.8 Å²	41.8	15%	0.154	22%	0.219	C	C	.	.			trans	-60.6	126.4	178.4	178	0	0	0	0	110.9	Y367 S373 L374 Q375	Y367-S371 WeakPolarHBondContact O-CB 3.29Å; Y367-S371 PolarHBondContact O-N 2.96Å; S371-S373 PolarHBondContact O-N 2.88Å; S371-S373 VanDerWaalsContact O-N 3.12Å; S371-S373 PolarHBondContact OG-N 2.67Å; S371-S373 PolarHBondContact OG-OG 2.98Å; S371-L374 PolarHBondContact O-N 2.98Å; S371-Q375 VanDerWaalsContact O-CG 3.32Å; S371-Q375 WeakPolarHBondContact O-CG 3.4Å; S371-Q375 PolarHBondContact O-N 3.08Å
372	A	84.1	Confident	91.1	Very high	56 Å²	56	43.6 Å²	43.6	46%	0.463	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.3	179.7	0	0	0	0	0	113.1	E370 Q375	E370-A372 PolarHBondContact O-N 3.36Å; A372-Q375 PolarHBondContact O-NE2 3.19Å
373	S	83.8	Confident	91	Very high	43 Å²	43	40.3 Å²	40.3	30%	0.301	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.8	179.3	61.6	0	0	0	0	114.2	S371	S371-S373 PolarHBondContact O-N 2.88Å; S371-S373 VanDerWaalsContact O-N 3.12Å; S371-S373 PolarHBondContact OG-N 2.67Å; S371-S373 PolarHBondContact OG-OG 2.98Å
374	L	87.1	Confident	90.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-48.5	-173.9	-62.9	178.9	0	0	0	112.9	R152 S344 Y367 L368 S371 M376 M434 F436	R152-L374 VanDerWaalsContact CZ-O 3.23Å; R152-L374 PolarHBondContact NH1-O 3.28Å; R152-L374 PolarHBondContact NH2-O 2.97Å; S344-L374 VanDerWaalsContact CB-CD2 3.44Å; Y367-L374 HydrophobicContact CD1-CD1 4.35Å; Y367-L374 HydrophobicContact CE1-CD1 3.83Å; L368-L374 HydrophobicContact CD2-CD1 3.72Å; S371-L374 PolarHBondContact O-N 2.98Å; L374-M376 HydrophobicContact CB-CG 4.42Å; L374-M376 HydrophobicContact CD2-CE 4.48Å; L374-M376 PolarHBondContact O-N 3.23Å; L374-M434 HydrophobicContact CD2-CE 4.35Å; L374-F436 HydrophobicContact CD1-CE1 4.07Å; L374-F436 HydrophobicContact CD1-CZ 4.14Å; L374-F436 HydrophobicContact CD2-CE1 4.3Å; L374-F436 HydrophobicContact CD2-CZ 4.12Å
375	Q	86.3	Confident	90.5	Very high	76 Å²	76	41.5 Å²	41.5	36%	0.355	23%	0.228	S	C	.	.			trans	40	46.4	178.6	-52.8	-177.5	31.1	0	0	113.7	R152 L204 S371 A372	R152-Q375 PolarHBondContact NH1-O 3.35Å; R152-Q375 VanDerWaalsContact NH1-O 3.09Å; L204-Q375 HydrophobicContact CD2-CB 4.17Å; L204-Q375 HydrophobicContact CD2-CG 4.21Å; S371-Q375 VanDerWaalsContact O-CG 3.32Å; S371-Q375 WeakPolarHBondContact O-CG 3.4Å; S371-Q375 PolarHBondContact O-N 3.08Å; A372-Q375 PolarHBondContact O-NE2 3.19Å
376	M	90.9	Very high	90.1	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	27%	0.27	C	S	.	.			trans	-66.9	152.5	179.7	-65.4	-175	178.9	0	0	110.6	L368 L374 P379 V425 D427 M434 F436	L368-M376 HydrophobicContact CB-SD 4.01Å; L368-M376 HydrophobicContact CD2-CE 4.32Å; L368-M376 HydrophobicContact CD2-SD 4.21Å; L368-M376 HydrophobicContact CG-SD 4.48Å; L368-M376 WeakPolarHBondContact O-CB 3.32Å; L368-M376 PolarHBondContact O-N 3.3Å; L368-M376 VanDerWaalsContact O-N 3.09Å; L374-M376 HydrophobicContact CB-CG 4.42Å; L374-M376 HydrophobicContact CD2-CE 4.48Å; L374-M376 PolarHBondContact O-N 3.23Å; M376-P379 HydrophobicContact CB-CB 4.17Å; M376-P379 HydrophobicContact CB-CG 4.14Å; M376-P379 HydrophobicContact SD-CB 3.79Å; M376-V425 HydrophobicContact CE-CG1 4.05Å; M376-V425 HydrophobicContact SD-CG1 3.68Å; M376-D427 HydrophobicContact CB-CB 4.34Å; M376-D427 HydrophobicContact CG-CB 4.31Å; M376-D427 HydrophobicContact SD-CB 4.25Å; M376-M434 HydrophobicContact CE-CE 3.8Å; M376-M434 HydrophobicContact CE-SD 3.34Å; M376-M434 WeakPolarHBondContact CE-SD 3.3Å; M376-F436 HydrophobicContact CE-CE2 3.94Å; M376-F436 HydrophobicContact CE-CZ 3.83Å
377	K	87.7	Confident	89.6	Confident	108 Å²	108	51 Å²	51	47%	0.47	29%	0.29	S	S	.	.	S	Bend	trans	-93.7	-44.4	-175.3	-76.2	-65.9	-179.9	-168.6	0	113.6	V149 D427 V428 T429	V149-K377 HydrophobicContact CG2-CG 4.23Å; K377-D427 PolarHBondContact N-OD1 3.1Å; K377-D427 PolarHBondContact N-OD2 3.41Å; K377-V428 HydrophobicContact CB-CG2 3.63Å; K377-V428 HydrophobicContact CG-CG2 4.44Å; K377-T429 HydrophobicContact CB-CG2 4.24Å; K377-T429 HydrophobicContact CG-CG2 3.81Å
378	S	88.4	Confident	89.3	Confident	31 Å²	31	54.3 Å²	54.3	22%	0.217	31%	0.306	C	S	.	.	S	Bend	trans	-153	68.1	-178.8	58.9	0	0	0	0	109.3	A380 D427	S378-A380 PolarHBondContact O-N 2.79Å; S378-D427 WeakPolarHBondContact CA-OD2 3.34Å; S378-D427 PolarHBondContact N-OD2 3.22Å
379	P	93.7	Very high	89.2	Confident	5 Å²	5	59 Å²	59	3%	0.032	34%	0.339	C	S	.	.			trans	-66.3	136.1	-171.3	23.7	-31.5	0	0	0	112	L365 L368 M376 V425	L365-P379 HydrophobicContact CD2-CB 4.36Å; L365-P379 HydrophobicContact CD2-CG 3.88Å; L368-P379 HydrophobicContact CB-CB 4.38Å; L368-P379 HydrophobicContact CB-CG 4.05Å; L368-P379 HydrophobicContact CD1-CB 4.15Å; L368-P379 HydrophobicContact CD1-CG 4.42Å; M376-P379 HydrophobicContact CB-CB 4.17Å; M376-P379 HydrophobicContact CB-CG 4.14Å; M376-P379 HydrophobicContact SD-CB 3.79Å; P379-V425 HydrophobicContact CB-CG1 3.94Å
380	A	94.3	Very high	89.3	Confident	10 Å²	10	60.2 Å²	60.2	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.2	173.2	0	0	0	0	0	109.3	S378 Y393 L394 V425 A426	S378-A380 PolarHBondContact O-N 2.79Å; A380-Y393 CarbonylContact C-O 3.56Å; A380-Y393 WeakPolarHBondContact CA-O 3.39Å; A380-L394 HydrophobicContact CB-CD1 3.3Å; A380-V425 CarbonylContact O-C 3.21Å; A380-V425 VanDerWaalsContact O-CA 3.25Å; A380-V425 WeakPolarHBondContact O-CA 3.28Å; A380-A426 HydrophobicContact CB-CB 4.42Å; A380-A426 WeakPolarHBondContact CB-O 3.37Å; A380-A426 PolarHBondContact N-O 3.07Å; A380-A426 PolarHBondContact O-N 3.48Å
381	V	95.3	Very high	89.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.1	-175	-170.3	0	0	0	0	109.9	L365 L368 L392 Y393 L423 V425	L365-V381 HydrophobicContact CD2-CG2 3.68Å; L368-V381 HydrophobicContact CD1-CG2 4.02Å; V381-L392 HydrophobicContact CB-CB 4.43Å; V381-L392 HydrophobicContact CG1-CD1 3.96Å; V381-L392 WeakPolarHBondContact O-CA 3.49Å; V381-L392 WeakPolarHBondContact O-CB 3.48Å; V381-L392 PolarHBondContact O-N 2.94Å; V381-Y393 PolarHBondContact N-O 2.99Å; V381-Y393 PolarHBondContact O-N 3.48Å; V381-L423 HydrophobicContact CG1-CB 4.42Å; V381-V425 HydrophobicContact CG1-CG2 4.42Å; V381-V425 HydrophobicContact CG2-CG2 4.34Å
382	T	94.6	Very high	89.8	Confident	39 Å²	39	54.7 Å²	54.7	24%	0.239	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.5	177.3	65.7	0	0	0	0	110.1	K390 T391 A424	T382-K390 WeakPolarHBondContact CA-O 3.41Å; T382-T391 HydrophobicContact CG2-CG2 4.34Å; T382-A424 PolarHBondContact N-O 3.46Å; T382-A424 PolarHBondContact O-N 3.29Å; T382-A424 VanDerWaalsContact OG1-CB 3.29Å; T382-A424 WeakPolarHBondContact OG1-CB 3.31Å; T382-A424 PolarHBondContact OG1-O 3.35Å
383	A	94	Very high	90.4	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.033	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.5	179.1	0	0	0	0	0	111	V385 K390 L392 L417 L423	A383-V385 HydrophobicContact CB-CG2 4.47Å; A383-V385 PolarHBondContact O-N 2.91Å; A383-K390 PolarHBondContact N-O 3.13Å; A383-K390 PolarHBondContact O-N 3.45Å; A383-L392 HydrophobicContact CB-CD1 4.01Å; A383-L392 HydrophobicContact CB-CG 4.35Å; A383-L417 HydrophobicContact CB-CD2 3.75Å; A383-L423 HydrophobicContact CB-CD2 3.68Å
384	T	91.2	Very high	90.8	Very high	88 Å²	88	52.6 Å²	52.6	54%	0.54	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	105.5	174.1	-58.9	0	0	0	0	110.1	K388 Q421	T384-K388 CarbonylContact C-O 3.58Å; T384-K388 WeakPolarHBondContact CA-O 3.43Å; T384-Q421 PolarHBondContact O-NE2 3.43Å
385	V	87.5	Confident	90.8	Very high	16 Å²	16	57.5 Å²	57.5	10%	0.097	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.1	179.2	-177.9	0	0	0	0	108.5	A383 G387 K388 K390 L417	A383-V385 HydrophobicContact CB-CG2 4.47Å; A383-V385 PolarHBondContact O-N 2.91Å; V385-G387 PolarHBondContact O-N 2.9Å; V385-K388 PolarHBondContact N-O 3.24Å; V385-K388 PolarHBondContact O-N 2.83Å; V385-K388 VanDerWaalsContact O-O 3.09Å; V385-K390 HydrophobicContact CB-CB 4.42Å; V385-K390 HydrophobicContact CB-CD 4.14Å; V385-K390 HydrophobicContact CG2-CB 4.4Å; V385-K390 HydrophobicContact CG2-CD 4.19Å; V385-L417 HydrophobicContact CG2-CD2 4.25Å
386	E	84.6	Confident	90.7	Very high	194 Å²	194	58.2 Å²	58.2	91%	0.907	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	38.6	-178.1	-61.4	176.5	177.3	0	0	113.5	K388	E386-K388 VanDerWaalsContact C-N 3.26Å; E386-K388 PolarHBondContact O-N 3.15Å
387	G	82.4	Confident	90.7	Very high	72 Å²	72	61 Å²	61	74%	0.742	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	7.4	179	0	0	0	0	0	115.2	V385	V385-G387 PolarHBondContact O-N 2.9Å
388	K	88.1	Confident	90.7	Very high	162 Å²	162	59.1 Å²	59.1	70%	0.704	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.7	174.9	-66.2	-179.8	-178	174.3	0	110.9	T384 V385 E386 K390	T384-K388 CarbonylContact C-O 3.58Å; T384-K388 WeakPolarHBondContact CA-O 3.43Å; V385-K388 PolarHBondContact N-O 3.24Å; V385-K388 PolarHBondContact O-N 2.83Å; V385-K388 VanDerWaalsContact O-O 3.09Å; E386-K388 VanDerWaalsContact C-N 3.26Å; E386-K388 PolarHBondContact O-N 3.15Å; K388-K390 PolarHBondContact O-N 2.96Å
389	S	90.4	Very high	90.9	Very high	99 Å²	99	61.2 Å²	61.2	69%	0.692	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	123.8	169.9	-177.3	0	0	0	0	109.5
390	K	92.7	Very high	90.7	Very high	86 Å²	86	63.6 Å²	63.6	37%	0.374	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.8	-176.7	-173.4	179.7	178.4	-174.9	0	109.1	T382 A383 V385 K388 L392	T382-K390 WeakPolarHBondContact CA-O 3.41Å; A383-K390 PolarHBondContact N-O 3.13Å; A383-K390 PolarHBondContact O-N 3.45Å; V385-K390 HydrophobicContact CB-CB 4.42Å; V385-K390 HydrophobicContact CB-CD 4.14Å; V385-K390 HydrophobicContact CG2-CB 4.4Å; V385-K390 HydrophobicContact CG2-CD 4.19Å; K388-K390 PolarHBondContact O-N 2.96Å; K390-L392 HydrophobicContact CD-CD2 4.45Å; K390-L392 HydrophobicContact CG-CD2 4.48Å; K390-L392 PolarHBondContact O-N 3.44Å
391	T	94.6	Very high	90.7	Very high	56 Å²	56	64 Å²	64	34%	0.344	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.3	169.9	-49.8	0	0	0	0	109.3	T382 L394 I400 T404	T382-T391 HydrophobicContact CG2-CG2 4.34Å; T391-L394 HydrophobicContact CG2-CB 3.78Å; T391-I400 HydrophobicContact CG2-CG2 4.16Å; T391-T404 HydrophobicContact CG2-CG2 4.24Å
392	L	94.2	Very high	90.5	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-46.6	178.2	-56.9	-176	0	0	0	110.4	L361 V381 A383 K390 T404 N407 L417 L423	L361-L392 HydrophobicContact CD1-CB 4.29Å; L361-L392 HydrophobicContact CD1-CD1 4.31Å; L361-L392 HydrophobicContact CD2-CB 3.83Å; V381-L392 HydrophobicContact CB-CB 4.43Å; V381-L392 HydrophobicContact CG1-CD1 3.96Å; V381-L392 WeakPolarHBondContact O-CA 3.49Å; V381-L392 WeakPolarHBondContact O-CB 3.48Å; V381-L392 PolarHBondContact O-N 2.94Å; A383-L392 HydrophobicContact CB-CD1 4.01Å; A383-L392 HydrophobicContact CB-CG 4.35Å; K390-L392 HydrophobicContact CD-CD2 4.45Å; K390-L392 HydrophobicContact CG-CD2 4.48Å; K390-L392 PolarHBondContact O-N 3.44Å; L392-T404 WeakPolarHBondContact O-CB 3.38Å; L392-N407 WeakPolarHBondContact O-CB 3.28Å; L392-N407 PolarHBondContact O-ND2 3.41Å; L392-L417 HydrophobicContact CD1-CD1 3.99Å; L392-L417 HydrophobicContact CD1-CD2 4.13Å; L392-L423 HydrophobicContact CD1-CD2 4.34Å
393	Y	95.7	Very high	90.4	Very high	23 Å²	23	78.5 Å²	78.5	9%	0.09	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	139.1	175	-176.6	-109.2	0	0	0	111.5	L365 A380 V381 Q395 E401 L408	L365-Y393 HydrophobicContact CD1-CD1 3.35Å; L365-Y393 HydrophobicContact CD1-CE1 3.75Å; L365-Y393 HydrophobicContact CD1-CG 3.86Å; L365-Y393 HydrophobicContact CD2-CD1 3.96Å; L365-Y393 HydrophobicContact CG-CD1 4.32Å; A380-Y393 CarbonylContact C-O 3.56Å; A380-Y393 WeakPolarHBondContact CA-O 3.39Å; V381-Y393 PolarHBondContact N-O 2.99Å; V381-Y393 PolarHBondContact O-N 3.48Å; Y393-Q395 HydrophobicContact CE1-CB 4.18Å; Y393-E401 HydrophobicContact CE2-CG 4.39Å; Y393-L408 HydrophobicContact CD1-CD2 4.21Å; Y393-L408 HydrophobicContact CD2-CD1 4.14Å; Y393-L408 HydrophobicContact CD2-CD2 3.61Å; Y393-L408 HydrophobicContact CD2-CG 3.9Å; Y393-L408 HydrophobicContact CE1-CD2 4.44Å; Y393-L408 HydrophobicContact CE2-CD1 3.67Å; Y393-L408 HydrophobicContact CE2-CD2 3.91Å; Y393-L408 HydrophobicContact CE2-CG 3.98Å; Y393-L408 HydrophobicContact CG-CD2 3.76Å
394	L	92.1	Very high	90.5	Very high	32 Å²	32	78.8 Å²	78.8	17%	0.168	43%	0.433	C	S	.	.			trans	-148.6	119	176.9	177.4	72.5	0	0	0	109.7	A380 T391 S396 V397 I400 E401 T404	A380-L394 HydrophobicContact CB-CD1 3.3Å; T391-L394 HydrophobicContact CG2-CB 3.78Å; L394-S396 VanDerWaalsContact CD1-OG 3.32Å; L394-S396 WeakPolarHBondContact CD1-OG 3.45Å; L394-V397 HydrophobicContact CD2-CB 4.27Å; L394-V397 HydrophobicContact CD2-CG2 4.19Å; L394-I400 HydrophobicContact CB-CG2 3.9Å; L394-I400 HydrophobicContact CD2-CB 4.04Å; L394-I400 HydrophobicContact CD2-CD1 3.7Å; L394-I400 HydrophobicContact CD2-CG1 4.45Å; L394-I400 HydrophobicContact CD2-CG2 3.85Å; L394-I400 HydrophobicContact CG-CG2 4.42Å; L394-E401 WeakPolarHBondContact O-CA 3.24Å; L394-E401 VanDerWaalsContact O-CB 3.25Å; L394-E401 WeakPolarHBondContact O-CB 3.38Å; L394-E401 PolarHBondContact O-N 3.5Å; L394-T404 PolarHBondContact N-OG1 3.15Å
395	Q	87.8	Confident	90.6	Very high	103 Å²	103	81.3 Å²	81.3	48%	0.481	43%	0.433	S	S	.	.	S	Bend	trans	-90.4	-24.1	-176.9	-168.5	175.9	1.9	0	0	114	Y393 V397 E401	Y393-Q395 HydrophobicContact CE1-CB 4.18Å; Q395-V397 VanDerWaalsContact C-N 3.31Å; Q395-V397 PolarHBondContact O-N 2.98Å; Q395-E401 HydrophobicContact CG-CG 4.44Å
396	S	85.3	Confident	91	Very high	91 Å²	91	84 Å²	84	64%	0.636	45%	0.45	S	S	*	.	S	Bend	trans	-68.8	-25.9	-170.7	57.3	0	0	0	0	114.4	L394	L394-S396 VanDerWaalsContact CD1-OG 3.32Å; L394-S396 WeakPolarHBondContact CD1-OG 3.45Å
397	V	89.4	Confident	91.5	Very high	62 Å²	62	75.5 Å²	75.5	38%	0.376	41%	0.411	S	S	.	.	S	Bend	trans	-116.3	109	-179.1	-177.8	0	0	0	0	109.1	L394 Q395 S399 I400 E401	L394-V397 HydrophobicContact CD2-CB 4.27Å; L394-V397 HydrophobicContact CD2-CG2 4.19Å; Q395-V397 VanDerWaalsContact C-N 3.31Å; Q395-V397 PolarHBondContact O-N 2.98Å; V397-S399 VanDerWaalsContact C-N 3.25Å; V397-S399 WeakPolarHBondContact CG1-OG 3.49Å; V397-S399 PolarHBondContact O-N 2.9Å; V397-S399 VanDerWaalsContact O-N 3.11Å; V397-I400 HydrophobicContact CB-CB 4.24Å; V397-I400 HydrophobicContact CB-CD1 4.01Å; V397-I400 HydrophobicContact CB-CG1 4.13Å; V397-I400 HydrophobicContact CG1-CB 4.44Å; V397-I400 HydrophobicContact CG1-CD1 3.99Å; V397-I400 HydrophobicContact CG1-CG1 3.92Å; V397-I400 HydrophobicContact CG2-CD1 4.39Å; V397-I400 PolarHBondContact O-N 2.92Å; V397-E401 PolarHBondContact O-N 2.79Å
398	A	88.5	Confident	92.1	Very high	69 Å²	69	73 Å²	73	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-52.8	-38.3	-172.9	0	0	0	0	0	114.2	E401 Q402	A398-E401 PolarHBondContact O-N 2.96Å; A398-Q402 VanDerWaalsContact O-CG 3.3Å; A398-Q402 WeakPolarHBondContact O-CG 3.31Å; A398-Q402 PolarHBondContact O-N 3.05Å
399	S	92	Very high	92.4	Very high	75 Å²	75	69.8 Å²	69.8	52%	0.524	38%	0.379	S	S	.	.	H	α-helix	trans	-68.9	-32.5	178.3	60.7	0	0	0	0	113.2	V397 R403	V397-S399 VanDerWaalsContact C-N 3.25Å; V397-S399 WeakPolarHBondContact CG1-OG 3.49Å; V397-S399 PolarHBondContact O-N 2.9Å; V397-S399 VanDerWaalsContact O-N 3.11Å; S399-R403 WeakPolarHBondContact O-CD 3.48Å; S399-R403 VanDerWaalsContact O-CG 3.27Å; S399-R403 WeakPolarHBondContact O-CG 3.46Å
400	I	91	Very high	92.6	Very high	54 Å²	54	68.8 Å²	68.8	28%	0.277	36%	0.362	S	S	.	.	H	α-helix	trans	-81.4	-38.7	176.8	-57.1	176.5	0	0	0	109.6	T391 L394 V397 Q402 R403 T404	T391-I400 HydrophobicContact CG2-CG2 4.16Å; L394-I400 HydrophobicContact CB-CG2 3.9Å; L394-I400 HydrophobicContact CD2-CB 4.04Å; L394-I400 HydrophobicContact CD2-CD1 3.7Å; L394-I400 HydrophobicContact CD2-CG1 4.45Å; L394-I400 HydrophobicContact CD2-CG2 3.85Å; L394-I400 HydrophobicContact CG-CG2 4.42Å; V397-I400 HydrophobicContact CB-CB 4.24Å; V397-I400 HydrophobicContact CB-CD1 4.01Å; V397-I400 HydrophobicContact CB-CG1 4.13Å; V397-I400 HydrophobicContact CG1-CB 4.44Å; V397-I400 HydrophobicContact CG1-CD1 3.99Å; V397-I400 HydrophobicContact CG1-CG1 3.92Å; V397-I400 HydrophobicContact CG2-CD1 4.39Å; V397-I400 PolarHBondContact O-N 2.92Å; I400-Q402 PolarHBondContact O-N 2.71Å; I400-R403 PolarHBondContact O-N 3.27Å; I400-R403 VanDerWaalsContact O-N 3.16Å; I400-T404 HydrophobicContact CG2-CG2 3.99Å; I400-T404 WeakPolarHBondContact O-CB 3.26Å; I400-T404 WeakPolarHBondContact O-CG2 3.39Å; I400-T404 PolarHBondContact O-N 3.34Å; I400-T404 PolarHBondContact O-OG1 3.27Å
401	E	93.4	Very high	92.8	Very high	18 Å²	18	65.6 Å²	65.6	8%	0.084	35%	0.351	C	S	.	.	H	α-helix	trans	-55.9	-51.5	175.5	-169.1	-77.4	147	0	0	110.4	Y393 L394 Q395 V397 A398 R403 T404 R405	Y393-E401 HydrophobicContact CE2-CG 4.39Å; L394-E401 WeakPolarHBondContact O-CA 3.24Å; L394-E401 VanDerWaalsContact O-CB 3.25Å; L394-E401 WeakPolarHBondContact O-CB 3.38Å; L394-E401 PolarHBondContact O-N 3.5Å; Q395-E401 HydrophobicContact CG-CG 4.44Å; V397-E401 PolarHBondContact O-N 2.79Å; A398-E401 PolarHBondContact O-N 2.96Å; E401-R403 VanDerWaalsContact C-N 3.27Å; E401-R403 PolarHBondContact O-N 3.48Å; E401-T404 PolarHBondContact O-N 3.29Å; E401-T404 VanDerWaalsContact O-N 3.11Å; E401-T404 PolarHBondContact O-OG1 3.16Å; E401-R405 VanDerWaalsContact O-CB 3.29Å; E401-R405 WeakPolarHBondContact O-CB 3.35Å; E401-R405 PolarHBondContact O-N 3Å; E401-R405 IonicContact OE1-CZ 2.76Å; E401-R405 IonicContact OE1-NE 2.72Å; E401-R405 PolarHBondContact OE1-NE 3.46Å; E401-R405 IonicContact OE1-NH2 2.87Å; E401-R405 PolarHBondContact OE1-NH2 3.24Å; E401-R405 IonicContact OE2-CZ 3.23Å; E401-R405 IonicContact OE2-NE 3.54Å; E401-R405 IonicContact OE2-NH2 2.82Å; E401-R405 PolarHBondContact OE2-NH2 3.48Å
402	Q	91.3	Very high	92.8	Very high	139 Å²	139	63 Å²	63	65%	0.65	33%	0.334	S	S	*	.	H	α-helix	trans	-59	-38	178	-73.2	174.7	-2.9	0	0	113	A398 I400	A398-Q402 VanDerWaalsContact O-CG 3.3Å; A398-Q402 WeakPolarHBondContact O-CG 3.31Å; A398-Q402 PolarHBondContact O-N 3.05Å; I400-Q402 PolarHBondContact O-N 2.71Å
403	R	92.8	Very high	92.7	Very high	205 Å²	205	72 Å²	72	77%	0.774	37%	0.368	S	S	*	.	H	α-helix	trans	-74.6	-27.9	179.2	-72.1	174	63.7	-172.4	-0.8	113.2	S399 I400 E401	S399-R403 WeakPolarHBondContact O-CD 3.48Å; S399-R403 VanDerWaalsContact O-CG 3.27Å; S399-R403 WeakPolarHBondContact O-CG 3.46Å; I400-R403 PolarHBondContact O-N 3.27Å; I400-R403 VanDerWaalsContact O-N 3.16Å; E401-R403 VanDerWaalsContact C-N 3.27Å; E401-R403 PolarHBondContact O-N 3.48Å
404	T	94.7	Very high	92.6	Very high	10 Å²	10	77.4 Å²	77.4	6%	0.061	39%	0.394	C	S	.	.	H	α-helix	trans	-102.4	-18.9	-174.8	56	0	0	0	0	113.2	T391 L392 L394 I400 E401 P406 N407	T391-T404 HydrophobicContact CG2-CG2 4.24Å; L392-T404 WeakPolarHBondContact O-CB 3.38Å; L394-T404 PolarHBondContact N-OG1 3.15Å; I400-T404 HydrophobicContact CG2-CG2 3.99Å; I400-T404 WeakPolarHBondContact O-CB 3.26Å; I400-T404 WeakPolarHBondContact O-CG2 3.39Å; I400-T404 PolarHBondContact O-N 3.34Å; I400-T404 PolarHBondContact O-OG1 3.27Å; E401-T404 PolarHBondContact O-N 3.29Å; E401-T404 VanDerWaalsContact O-N 3.11Å; E401-T404 PolarHBondContact O-OG1 3.16Å; T404-P406 VanDerWaalsContact C-N 3.31Å; T404-N407 WeakPolarHBondContact O-CB 3.46Å; T404-N407 PolarHBondContact O-N 3.3Å
405	R	94.1	Very high	92.6	Very high	141 Å²	141	76 Å²	76	53%	0.532	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-49.4	-40.6	174	-173.3	-173.5	-67	-160.6	1.7	113.8	E401 N407 L408	E401-R405 VanDerWaalsContact O-CB 3.29Å; E401-R405 WeakPolarHBondContact O-CB 3.35Å; E401-R405 PolarHBondContact O-N 3Å; E401-R405 IonicContact OE1-CZ 2.76Å; E401-R405 IonicContact OE1-NE 2.72Å; E401-R405 PolarHBondContact OE1-NE 3.46Å; E401-R405 IonicContact OE1-NH2 2.87Å; E401-R405 PolarHBondContact OE1-NH2 3.24Å; E401-R405 IonicContact OE2-CZ 3.23Å; E401-R405 IonicContact OE2-NE 3.54Å; E401-R405 IonicContact OE2-NH2 2.82Å; E401-R405 PolarHBondContact OE2-NH2 3.48Å; R405-N407 PolarHBondContact O-N 3.28Å; R405-N407 VanDerWaalsContact O-N 3.09Å; R405-L408 HydrophobicContact CG-CD1 4.02Å; R405-L408 VanDerWaalsContact O-CB 3.27Å; R405-L408 WeakPolarHBondContact O-CB 3.43Å; R405-L408 VanDerWaalsContact O-CG 3.28Å; R405-L408 WeakPolarHBondContact O-CG 3.27Å; R405-L408 PolarHBondContact O-N 2.76Å
406	P	95.9	Very high	92.8	Very high	72 Å²	72	72.9 Å²	72.9	47%	0.468	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-63.4	-15.2	176.5	-23	35	0	0	0	114.6	T404 L408 S409	T404-P406 VanDerWaalsContact C-N 3.31Å; P406-L408 VanDerWaalsContact C-N 3.32Å; P406-S409 PolarHBondContact O-OG 2.83Å
407	N	95.4	Very high	93.2	Very high	17 Å²	17	68.9 Å²	68.9	9%	0.091	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-77.1	-20.1	175.4	-62.5	-27.8	0	0	0	112.5	L361 L392 T404 R405 S409 K410 L415	L361-N407 HydrophobicContact CD2-CB 3.96Å; L392-N407 WeakPolarHBondContact O-CB 3.28Å; L392-N407 PolarHBondContact O-ND2 3.41Å; T404-N407 WeakPolarHBondContact O-CB 3.46Å; T404-N407 PolarHBondContact O-N 3.3Å; R405-N407 PolarHBondContact O-N 3.28Å; R405-N407 VanDerWaalsContact O-N 3.09Å; N407-S409 VanDerWaalsContact C-N 3.26Å; N407-S409 PolarHBondContact O-N 2.65Å; N407-K410 WeakPolarHBondContact O-CB 3.48Å; N407-K410 PolarHBondContact O-N 3.44Å; N407-K410 PolarHBondContact OD1-NZ 3.01Å; N407-L415 HydrophobicContact CB-CD2 3.75Å
408	L	94.1	Very high	93.3	Very high	19 Å²	19	70 Å²	70	10%	0.099	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.7	-178.5	-66.1	177.6	0	0	0	112.6	L361 Q362 L365 Y393 R405 P406 K410	L361-L408 HydrophobicContact CD2-CD2 4.4Å; L361-L408 HydrophobicContact CG-CD2 4.45Å; Q362-L408 HydrophobicContact CB-CB 4.44Å; Q362-L408 WeakPolarHBondContact CB-O 3.35Å; Q362-L408 PolarHBondContact N-O 2.88Å; Q362-L408 VanDerWaalsContact N-O 3.07Å; L365-L408 HydrophobicContact CD1-CD2 3.19Å; Y393-L408 HydrophobicContact CD1-CD2 4.21Å; Y393-L408 HydrophobicContact CD2-CD1 4.14Å; Y393-L408 HydrophobicContact CD2-CD2 3.61Å; Y393-L408 HydrophobicContact CD2-CG 3.9Å; Y393-L408 HydrophobicContact CE1-CD2 4.44Å; Y393-L408 HydrophobicContact CE2-CD1 3.67Å; Y393-L408 HydrophobicContact CE2-CD2 3.91Å; Y393-L408 HydrophobicContact CE2-CG 3.98Å; Y393-L408 HydrophobicContact CG-CD2 3.76Å; R405-L408 HydrophobicContact CG-CD1 4.02Å; R405-L408 VanDerWaalsContact O-CB 3.27Å; R405-L408 WeakPolarHBondContact O-CB 3.43Å; R405-L408 VanDerWaalsContact O-CG 3.28Å; R405-L408 WeakPolarHBondContact O-CG 3.27Å; R405-L408 PolarHBondContact O-N 2.76Å; P406-L408 VanDerWaalsContact C-N 3.32Å; L408-K410 VanDerWaalsContact C-N 3.34Å
409	S	95	Very high	93.5	Very high	95 Å²	95	71.6 Å²	71.6	66%	0.664	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.9	179	60	0	0	0	0	113.9	P406 N407	P406-S409 PolarHBondContact O-OG 2.83Å; N407-S409 VanDerWaalsContact C-N 3.26Å; N407-S409 PolarHBondContact O-N 2.65Å
410	K	95.5	Very high	93.3	Very high	78 Å²	78	70 Å²	70	34%	0.339	36%	0.355	S	S	.	.	S	Bend	trans	-86	145.6	178.4	-64.3	178.8	-170.7	164.1	0	109.9	T360 L361 N407 L408 E414 L415	T360-K410 WeakPolarHBondContact CA-O 3.39Å; L361-K410 PolarHBondContact N-O 3.49Å; L361-K410 VanDerWaalsContact N-O 3.11Å; N407-K410 WeakPolarHBondContact O-CB 3.48Å; N407-K410 PolarHBondContact O-N 3.44Å; N407-K410 PolarHBondContact OD1-NZ 3.01Å; L408-K410 VanDerWaalsContact C-N 3.34Å; K410-E414 WeakPolarHBondContact CA-OE2 3.42Å; K410-E414 HydrophobicContact CB-CB 4.23Å; K410-L415 HydrophobicContact CB-CD1 4.45Å; K410-L415 HydrophobicContact CB-CD2 3.92Å; K410-L415 HydrophobicContact CB-CG 3.93Å; K410-L415 HydrophobicContact CD-CD2 3.77Å; K410-L415 HydrophobicContact CG-CD2 4.47Å
411	S	95.9	Very high	93.3	Very high	19 Å²	19	68.5 Å²	68.5	13%	0.133	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-68.8	155.9	171.7	62.1	0	0	0	0	111.7	S359 R413 E414 L415	S359-S411 CarbonylContact O-C 3.47Å; S359-S411 VanDerWaalsContact O-CA 3.23Å; S359-S411 WeakPolarHBondContact O-CA 3.31Å; S411-R413 PolarHBondContact O-N 2.72Å; S411-E414 PolarHBondContact N-OE2 2.7Å; S411-E414 PolarHBondContact O-N 3.27Å; S411-E414 VanDerWaalsContact O-N 3.08Å; S411-E414 WeakPolarHBondContact OG-CB 3.43Å; S411-E414 VanDerWaalsContact OG-CD 3.25Å; S411-E414 WeakPolarHBondContact OG-CG 3.44Å; S411-E414 PolarHBondContact OG-N 3.14Å; S411-E414 PolarHBondContact OG-OE2 2.99Å; S411-L415 WeakPolarHBondContact O-CG 3.26Å; S411-L415 PolarHBondContact O-N 3.35Å
412	L	93.7	Very high	93.2	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.7	177	-60.2	176.7	0	0	0	111.3	F355 S359 V364 L415 G416 L417 L438 F440	F355-L412 HydrophobicContact CB-CD1 3.71Å; F355-L412 HydrophobicContact CG-CD1 4.25Å; S359-L412 WeakPolarHBondContact O-CG 3.42Å; S359-L412 PolarHBondContact O-N 3.29Å; V364-L412 HydrophobicContact CG2-CD1 4.1Å; V364-L412 HydrophobicContact CG2-CD2 3.78Å; V364-L412 HydrophobicContact CG2-CG 4.48Å; L412-L415 PolarHBondContact O-N 2.72Å; L412-G416 PolarHBondContact O-N 2.97Å; L412-L417 HydrophobicContact CB-CB 4.42Å; L412-L417 HydrophobicContact CB-CD1 4.14Å; L412-L417 HydrophobicContact CD2-CD1 3.68Å; L412-L417 HydrophobicContact CG-CD1 4.45Å; L412-L417 WeakPolarHBondContact O-CB 3.16Å; L412-L417 PolarHBondContact O-N 3.02Å; L412-L438 HydrophobicContact CD1-CD1 4.03Å; L412-L438 HydrophobicContact CD1-CD2 4.36Å; L412-F440 HydrophobicContact CB-CE1 3.85Å; L412-F440 HydrophobicContact CB-CZ 3.9Å; L412-F440 HydrophobicContact CD1-CE1 3.77Å; L412-F440 HydrophobicContact CG-CE1 4.46Å
413	R	92.5	Very high	93.3	Very high	191 Å²	191	66.3 Å²	66.3	72%	0.721	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-42	175.1	-169	174.2	-174.5	175.4	2.4	113.3	P357 S411 L415 G416	P357-R413 HydrophobicContact CB-CB 4.45Å; P357-R413 WeakPolarHBondContact O-CB 3.14Å; P357-R413 PolarHBondContact O-N 3.46Å; S411-R413 PolarHBondContact O-N 2.72Å; R413-L415 PolarHBondContact O-N 3.17Å; R413-G416 PolarHBondContact O-N 2.82Å; R413-G416 VanDerWaalsContact O-N 3.08Å
414	E	93.3	Very high	93.3	Very high	136 Å²	136	57.6 Å²	57.6	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.4	176.2	-75.4	167.6	147.7	0	0	112.9	K410 S411 G416	K410-E414 WeakPolarHBondContact CA-OE2 3.42Å; K410-E414 HydrophobicContact CB-CB 4.23Å; S411-E414 PolarHBondContact N-OE2 2.7Å; S411-E414 PolarHBondContact O-N 3.27Å; S411-E414 VanDerWaalsContact O-N 3.08Å; S411-E414 WeakPolarHBondContact OG-CB 3.43Å; S411-E414 VanDerWaalsContact OG-CD 3.25Å; S411-E414 WeakPolarHBondContact OG-CG 3.44Å; S411-E414 PolarHBondContact OG-N 3.14Å; S411-E414 PolarHBondContact OG-OE2 2.99Å; E414-G416 PolarHBondContact O-N 2.8Å
415	L	92.4	Very high	93.2	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.4	174.8	-67.6	173.5	0	0	0	113.3	L361 N407 K410 S411 L412 R413 L417	L361-L415 HydrophobicContact CB-CD1 3.74Å; L361-L415 HydrophobicContact CD1-CD1 4.47Å; L361-L415 HydrophobicContact CD2-CD1 3.98Å; L361-L415 HydrophobicContact CG-CD1 4.29Å; N407-L415 HydrophobicContact CB-CD2 3.75Å; K410-L415 HydrophobicContact CB-CD1 4.45Å; K410-L415 HydrophobicContact CB-CD2 3.92Å; K410-L415 HydrophobicContact CB-CG 3.93Å; K410-L415 HydrophobicContact CD-CD2 3.77Å; K410-L415 HydrophobicContact CG-CD2 4.47Å; S411-L415 WeakPolarHBondContact O-CG 3.26Å; S411-L415 PolarHBondContact O-N 3.35Å; L412-L415 PolarHBondContact O-N 2.72Å; R413-L415 PolarHBondContact O-N 3.17Å; L415-L417 HydrophobicContact CB-CG 4.3Å
416	G	91.8	Very high	93.1	Very high	37 Å²	37	52.4 Å²	52.4	38%	0.381	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	22.9	-178.2	0	0	0	0	0	113.1	L412 R413 E414	L412-G416 PolarHBondContact O-N 2.97Å; R413-G416 PolarHBondContact O-N 2.82Å; R413-G416 VanDerWaalsContact O-N 3.08Å; E414-G416 PolarHBondContact O-N 2.8Å
417	L	93.6	Very high	92.9	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	28%	0.278	C	S	.	.			trans	-83.6	141.3	177.3	-58.1	175.2	0	0	0	111.3	A383 V385 L392 L412 L415 L423 L438 F440	A383-L417 HydrophobicContact CB-CD2 3.75Å; V385-L417 HydrophobicContact CG2-CD2 4.25Å; L392-L417 HydrophobicContact CD1-CD1 3.99Å; L392-L417 HydrophobicContact CD1-CD2 4.13Å; L412-L417 HydrophobicContact CB-CB 4.42Å; L412-L417 HydrophobicContact CB-CD1 4.14Å; L412-L417 HydrophobicContact CD2-CD1 3.68Å; L412-L417 HydrophobicContact CG-CD1 4.45Å; L412-L417 WeakPolarHBondContact O-CB 3.16Å; L412-L417 PolarHBondContact O-N 3.02Å; L415-L417 HydrophobicContact CB-CG 4.3Å; L417-L423 HydrophobicContact CD1-CD2 4.24Å; L417-L423 HydrophobicContact CD2-CD2 4.03Å; L417-L438 HydrophobicContact CB-CD2 3.91Å; L417-L438 HydrophobicContact CD1-CD2 4.17Å; L417-F440 HydrophobicContact CB-CZ 4.48Å
418	T	92	Very high	92.6	Very high	86 Å²	86	52.7 Å²	52.7	53%	0.528	30%	0.297	S	S	.	.			trans	-116.2	158.3	-179.7	58.3	0	0	0	0	111.7	Q421	T418-Q421 WeakPolarHBondContact O-CB 3.26Å; T418-Q421 PolarHBondContact O-N 2.92Å
419	D	92.4	Very high	92.2	Very high	102 Å²	102	51.8 Å²	51.8	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	141.4	172.3	-172.3	37.8	0	0	0	111.1	Q421 C439 F440	D419-Q421 PolarHBondContact O-N 3.07Å; D419-C439 WeakPolarHBondContact OD1-CA 3.33Å; D419-F440 HydrophobicContact CB-CB 4.2Å; D419-F440 HydrophobicContact CB-CD2 3.86Å; D419-F440 HydrophobicContact CB-CG 4.33Å; D419-F440 PolarHBondContact OD1-N 3.02Å
420	G	88.8	Confident	91.8	Very high	42 Å²	42	48 Å²	48	43%	0.433	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	2	-175.8	0	0	0	0	0	115.4	L438	G420-L438 VanDerWaalsContact CA-O 3.26Å; G420-L438 WeakPolarHBondContact CA-O 3.47Å; G420-L438 PolarHBondContact N-O 3.45Å
421	Q	91.4	Very high	91.3	Very high	23 Å²	23	46.8 Å²	46.8	11%	0.107	27%	0.266	C	S	.	.			trans	-74.2	143.4	-177.6	-174.4	175.8	0.1	0	0	112.4	T384 T418 D419 L438	T384-Q421 PolarHBondContact O-NE2 3.43Å; T418-Q421 WeakPolarHBondContact O-CB 3.26Å; T418-Q421 PolarHBondContact O-N 2.92Å; D419-Q421 PolarHBondContact O-N 3.07Å; Q421-L438 WeakPolarHBondContact O-CB 2.98Å; Q421-L438 PolarHBondContact O-N 2.99Å
422	E	91.4	Very high	90.8	Very high	108 Å²	108	48 Å²	48	51%	0.505	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.3	174.2	-65.5	-175.8	163.5	0	0	112.4	F436	E422-F436 CarbonylContact C-O 3.46Å; E422-F436 VanDerWaalsContact CA-O 3.3Å; E422-F436 WeakPolarHBondContact CA-O 3.33Å
423	L	92.8	Very high	90.5	Very high	2 Å²	2	52 Å²	52	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.1	169.6	-57.3	-177.9	0	0	0	108.4	L353 V381 A383 L392 L417 F436 L438	L353-L423 HydrophobicContact CD1-CD1 4.12Å; V381-L423 HydrophobicContact CG1-CB 4.42Å; A383-L423 HydrophobicContact CB-CD2 3.68Å; L392-L423 HydrophobicContact CD1-CD2 4.34Å; L417-L423 HydrophobicContact CD1-CD2 4.24Å; L417-L423 HydrophobicContact CD2-CD2 4.03Å; L423-F436 HydrophobicContact CB-CB 4.39Å; L423-F436 PolarHBondContact N-O 3.47Å; L423-F436 PolarHBondContact O-N 3.49Å; L423-L438 HydrophobicContact CD1-CB 4.42Å; L423-L438 HydrophobicContact CG-CB 4.46Å
424	A	92.5	Very high	90.2	Very high	23 Å²	23	43.5 Å²	43.5	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115	173.4	0	0	0	0	0	108.9	T382 T433 L435	T382-A424 PolarHBondContact N-O 3.46Å; T382-A424 PolarHBondContact O-N 3.29Å; T382-A424 VanDerWaalsContact OG1-CB 3.29Å; T382-A424 WeakPolarHBondContact OG1-CB 3.31Å; T382-A424 PolarHBondContact OG1-O 3.35Å; A424-T433 HydrophobicContact CB-CG2 3.7Å; A424-L435 HydrophobicContact CB-CD2 4.02Å
425	V	93.1	Very high	90	Very high	1 Å²	1	41 Å²	41	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.4	-176.5	-176.3	0	0	0	0	109.8	L368 M376 P379 A380 V381 M434 F436	L368-V425 HydrophobicContact CD1-CG1 4.03Å; L368-V425 HydrophobicContact CD1-CG2 4.15Å; M376-V425 HydrophobicContact CE-CG1 4.05Å; M376-V425 HydrophobicContact SD-CG1 3.68Å; P379-V425 HydrophobicContact CB-CG1 3.94Å; A380-V425 CarbonylContact O-C 3.21Å; A380-V425 VanDerWaalsContact O-CA 3.25Å; A380-V425 WeakPolarHBondContact O-CA 3.28Å; V381-V425 HydrophobicContact CG1-CG2 4.42Å; V381-V425 HydrophobicContact CG2-CG2 4.34Å; V425-M434 PolarHBondContact N-O 3.32Å; V425-M434 PolarHBondContact O-N 3.32Å; V425-F436 HydrophobicContact CB-CD2 4Å; V425-F436 HydrophobicContact CB-CE2 3.87Å; V425-F436 HydrophobicContact CG1-CE2 4.49Å; V425-F436 HydrophobicContact CG2-CD2 3.57Å; V425-F436 HydrophobicContact CG2-CE2 3.86Å
426	A	91.7	Very high	89.9	Confident	41 Å²	41	41 Å²	41	34%	0.339	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.8	171.9	0	0	0	0	0	109.6	A380	A380-A426 HydrophobicContact CB-CB 4.42Å; A380-A426 WeakPolarHBondContact CB-O 3.37Å; A380-A426 PolarHBondContact N-O 3.07Å; A380-A426 PolarHBondContact O-N 3.48Å
427	D	91.9	Very high	89.9	Confident	13 Å²	13	44.5 Å²	44.5	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.9	179.7	-173.5	-117	0	0	0	111	M376 K377 S378 T429 T430	M376-D427 HydrophobicContact CB-CB 4.34Å; M376-D427 HydrophobicContact CG-CB 4.31Å; M376-D427 HydrophobicContact SD-CB 4.25Å; K377-D427 PolarHBondContact N-OD1 3.1Å; K377-D427 PolarHBondContact N-OD2 3.41Å; S378-D427 WeakPolarHBondContact CA-OD2 3.34Å; S378-D427 PolarHBondContact N-OD2 3.22Å; D427-T429 PolarHBondContact O-N 3.23Å; D427-T429 VanDerWaalsContact O-N 3.08Å; D427-T429 WeakPolarHBondContact OD1-CB 3.28Å; D427-T429 WeakPolarHBondContact OD1-CG2 3.2Å; D427-T429 PolarHBondContact OD1-N 2.9Å; D427-T429 VanDerWaalsContact OD1-N 3.08Å; D427-T429 PolarHBondContact OD1-OG1 3.1Å; D427-T430 PolarHBondContact O-N 3.4Å
428	V	88.4	Confident	89.9	Confident	81 Å²	81	44.2 Å²	44.2	49%	0.491	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.1	177.9	-63	0	0	0	0	113.4	K377 T430	K377-V428 HydrophobicContact CB-CG2 3.63Å; K377-V428 HydrophobicContact CG-CG2 4.44Å; V428-T430 VanDerWaalsContact C-N 3.33Å
429	T	86.5	Confident	89.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.9	177.2	57.4	0	0	0	0	114.3	V149 R152 W153 K377 D427	V149-T429 HydrophobicContact CG1-CG2 4.44Å; V149-T429 HydrophobicContact CG2-CG2 4.48Å; R152-T429 CarbonylContact C-O 3.5Å; R152-T429 VanDerWaalsContact CB-O 3.23Å; R152-T429 WeakPolarHBondContact CB-O 3.21Å; W153-T429 WeakPolarHBondContact CA-O 3.49Å; W153-T429 PolarHBondContact N-O 3.1Å; K377-T429 HydrophobicContact CB-CG2 4.24Å; K377-T429 HydrophobicContact CG-CG2 3.81Å; D427-T429 PolarHBondContact O-N 3.23Å; D427-T429 VanDerWaalsContact O-N 3.08Å; D427-T429 WeakPolarHBondContact OD1-CB 3.28Å; D427-T429 WeakPolarHBondContact OD1-CG2 3.2Å; D427-T429 PolarHBondContact OD1-N 2.9Å; D427-T429 VanDerWaalsContact OD1-N 3.08Å; D427-T429 PolarHBondContact OD1-OG1 3.1Å
430	T	87.1	Confident	89.9	Confident	14 Å²	14	38.5 Å²	38.5	9%	0.086	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	141.2	-179.5	176.7	0	0	0	0	111.1	D427 V428 Q432 M434	D427-T430 PolarHBondContact O-N 3.4Å; V428-T430 VanDerWaalsContact C-N 3.33Å; T430-Q432 WeakPolarHBondContact CG2-O 3.49Å; T430-Q432 PolarHBondContact O-N 2.96Å; T430-Q432 PolarHBondContact OG1-N 3.11Å; T430-M434 HydrophobicContact CG2-CG 4.32Å; T430-M434 HydrophobicContact CG2-SD 3.95Å
431	P	83.8	Confident	89.9	Confident	53 Å²	53	39.4 Å²	39.4	34%	0.344	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-14.9	172	29.4	-34.3	0	0	0	113	W153 M157	W153-P431 HydrophobicContact CD2-CG 4.49Å; W153-P431 HydrophobicContact CZ2-CB 4.16Å; W153-P431 HydrophobicContact CZ2-CG 4.47Å; W153-P431 VanDerWaalsContact O-CD 3.24Å; W153-P431 WeakPolarHBondContact O-CD 3.33Å; M157-P431 HydrophobicContact CB-CG 3.97Å; M157-P431 HydrophobicContact CE-CB 4.34Å; M157-P431 HydrophobicContact CE-CG 4.35Å; M157-P431 VanDerWaalsContact N-CG 3.27Å
432	Q	85.5	Confident	88.7	Confident	46 Å²	46	47 Å²	47	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.4	-178.4	-63.5	-173.4	-9.5	0	0	112.5	G156 L159 T430	G156-Q432 WeakPolarHBondContact O-CG 3.33Å; G156-Q432 PolarHBondContact O-NE2 3.13Å; G156-Q432 VanDerWaalsContact O-NE2 3.07Å; L159-Q432 PolarHBondContact O-NE2 3.09Å; T430-Q432 WeakPolarHBondContact CG2-O 3.49Å; T430-Q432 PolarHBondContact O-N 2.96Å; T430-Q432 PolarHBondContact OG1-N 3.11Å
433	T	86.8	Confident	88.6	Confident	83 Å²	83	44 Å²	44	51%	0.509	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.6	164.4	-57	0	0	0	0	108.9	A424	A424-T433 HydrophobicContact CB-CG2 3.7Å
434	M	87.8	Confident	88.4	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.6	177.9	-61.3	166.9	78.7	0	0	109.9	S344 L374 M376 V425 T430 F436	S344-M434 WeakPolarHBondContact O-CE 3.35Å; S344-M434 WeakPolarHBondContact OG-CE 3.45Å; L374-M434 HydrophobicContact CD2-CE 4.35Å; M376-M434 HydrophobicContact CE-CE 3.8Å; M376-M434 HydrophobicContact CE-SD 3.34Å; M376-M434 WeakPolarHBondContact CE-SD 3.3Å; V425-M434 PolarHBondContact N-O 3.32Å; V425-M434 PolarHBondContact O-N 3.32Å; T430-M434 HydrophobicContact CG2-CG 4.32Å; T430-M434 HydrophobicContact CG2-SD 3.95Å; M434-F436 HydrophobicContact CB-CD2 4.37Å; M434-F436 HydrophobicContact CB-CE2 3.69Å; M434-F436 HydrophobicContact CB-CZ 4.4Å; M434-F436 HydrophobicContact CE-CE2 4.47Å; M434-F436 HydrophobicContact CE-CZ 4.09Å
435	L	88.4	Confident	88.1	Confident	84 Å²	84	47.4 Å²	47.4	44%	0.44	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.4	178.7	-61.8	178.5	0	0	0	110.5	Q351 A424	Q351-L435 PolarHBondContact N-O 3.13Å; A424-L435 HydrophobicContact CB-CD2 4.02Å
436	F	90.9	Very high	87.9	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.1	177.1	-68.8	-90.5	0	0	0	110.1	Q351 L353 L368 L374 M376 E422 L423 V425 M434	Q351-F436 HydrophobicContact CB-CD1 3.66Å; Q351-F436 HydrophobicContact CB-CE1 3.82Å; Q351-F436 HydrophobicContact CG-CE1 4.48Å; Q351-F436 CarbonylContact O-C 3.57Å; Q351-F436 VanDerWaalsContact O-CA 3.26Å; Q351-F436 WeakPolarHBondContact O-CA 3.36Å; L353-F436 HydrophobicContact CD1-CB 3.51Å; L353-F436 HydrophobicContact CD1-CD1 3.87Å; L353-F436 HydrophobicContact CD1-CG 3.74Å; L353-F436 HydrophobicContact CD2-CD1 3.77Å; L353-F436 HydrophobicContact CD2-CE1 4.22Å; L353-F436 HydrophobicContact CD2-CG 4.49Å; L353-F436 HydrophobicContact CG-CB 3.79Å; L353-F436 HydrophobicContact CG-CD1 3.64Å; L353-F436 HydrophobicContact CG-CG 3.98Å; L368-F436 HydrophobicContact CD2-CE1 4.34Å; L368-F436 HydrophobicContact CD2-CE2 4.25Å; L368-F436 HydrophobicContact CD2-CZ 4.03Å; L374-F436 HydrophobicContact CD1-CE1 4.07Å; L374-F436 HydrophobicContact CD1-CZ 4.14Å; L374-F436 HydrophobicContact CD2-CE1 4.3Å; L374-F436 HydrophobicContact CD2-CZ 4.12Å; M376-F436 HydrophobicContact CE-CE2 3.94Å; M376-F436 HydrophobicContact CE-CZ 3.83Å; E422-F436 CarbonylContact C-O 3.46Å; E422-F436 VanDerWaalsContact CA-O 3.3Å; E422-F436 WeakPolarHBondContact CA-O 3.33Å; L423-F436 HydrophobicContact CB-CB 4.39Å; L423-F436 PolarHBondContact N-O 3.47Å; L423-F436 PolarHBondContact O-N 3.49Å; V425-F436 HydrophobicContact CB-CD2 4Å; V425-F436 HydrophobicContact CB-CE2 3.87Å; V425-F436 HydrophobicContact CG1-CE2 4.49Å; V425-F436 HydrophobicContact CG2-CD2 3.57Å; V425-F436 HydrophobicContact CG2-CE2 3.86Å; M434-F436 HydrophobicContact CB-CD2 4.37Å; M434-F436 HydrophobicContact CB-CE2 3.69Å; M434-F436 HydrophobicContact CB-CZ 4.4Å; M434-F436 HydrophobicContact CE-CE2 4.47Å; M434-F436 HydrophobicContact CE-CZ 4.09Å
437	R	91.2	Very high	87.6	Confident	111 Å²	111	50.8 Å²	50.8	42%	0.419	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.3	172.1	-177.5	174.7	59.7	-179	-2.4	109.4	Q351 D352 L353 C439	Q351-R437 PolarHBondContact O-N 3.37Å; D352-R437 CarbonylContact C-O 3.59Å; D352-R437 WeakPolarHBondContact CA-O 3.46Å; D352-R437 IonicContact OD1-CZ 3.22Å; D352-R437 IonicContact OD1-NE 2.75Å; D352-R437 PolarHBondContact OD1-NE 3.23Å; D352-R437 IonicContact OD1-NH2 3.15Å; D352-R437 PolarHBondContact OD1-NH2 3.04Å; D352-R437 IonicContact OD2-CZ 3.68Å; D352-R437 IonicContact OD2-NE 3.31Å; D352-R437 IonicContact OD2-NH2 3.74Å; D352-R437 PolarHBondContact OD2-NH2 2.85Å; L353-R437 PolarHBondContact N-O 2.89Å; R437-C439 PolarHBondContact O-N 3.16Å
438	L	92.7	Very high	87.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.7	175.7	-176.7	63.5	0	0	0	109.9	L353 F355 L412 L417 G420 Q421 L423 F440	L353-L438 HydrophobicContact CB-CD1 4.42Å; F355-L438 HydrophobicContact CB-CD1 4.4Å; F355-L438 HydrophobicContact CD2-CD1 4.12Å; L412-L438 HydrophobicContact CD1-CD1 4.03Å; L412-L438 HydrophobicContact CD1-CD2 4.36Å; L417-L438 HydrophobicContact CB-CD2 3.91Å; L417-L438 HydrophobicContact CD1-CD2 4.17Å; G420-L438 VanDerWaalsContact CA-O 3.26Å; G420-L438 WeakPolarHBondContact CA-O 3.47Å; G420-L438 PolarHBondContact N-O 3.45Å; Q421-L438 WeakPolarHBondContact O-CB 2.98Å; Q421-L438 PolarHBondContact O-N 2.99Å; L423-L438 HydrophobicContact CD1-CB 4.42Å; L423-L438 HydrophobicContact CG-CB 4.46Å; L438-F440 HydrophobicContact CD1-CE1 4.27Å; L438-F440 HydrophobicContact CD2-CD1 4.4Å; L438-F440 HydrophobicContact CD2-CE1 3.62Å; L438-F440 HydrophobicContact CD2-CZ 3.79Å; L438-F440 HydrophobicContact CG-CD1 4.28Å; L438-F440 HydrophobicContact CG-CE1 3.96Å; L438-F440 HydrophobicContact CG-CZ 4.5Å
439	C	92.9	Very high	87.3	Confident	25 Å²	25	51.3 Å²	51.3	17%	0.169	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.6	177.8	-64	0	0	0	0	109	L353 R354 F355 D419 R437 T441	L353-C439 PolarHBondContact O-N 3.18Å; R354-C439 WeakPolarHBondContact CA-O 3.34Å; R354-C439 HydrophobicContact CG-CB 4.28Å; F355-C439 PolarHBondContact N-O 3.18Å; D419-C439 WeakPolarHBondContact OD1-CA 3.33Å; R437-C439 PolarHBondContact O-N 3.16Å; C439-T441 PolarHBondContact O-N 3.14Å
440	F	93.1	Very high	87.3	Confident	44 Å²	44	55.2 Å²	55.2	19%	0.193	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.7	176.5	-73.9	-29.7	0	0	0	111.2	F355 P357 L412 L417 D419 L438	F355-F440 CarbonylContact O-C 3.57Å; F355-F440 VanDerWaalsContact O-CA 3.26Å; F355-F440 WeakPolarHBondContact O-CA 3.29Å; P357-F440 HydrophobicContact CB-CD2 4.37Å; P357-F440 HydrophobicContact CB-CE2 4.38Å; P357-F440 HydrophobicContact CB-CG 4.49Å; P357-F440 HydrophobicContact CG-CB 4.1Å; P357-F440 HydrophobicContact CG-CD1 4.26Å; P357-F440 HydrophobicContact CG-CD2 3.99Å; P357-F440 HydrophobicContact CG-CE2 4.49Å; P357-F440 HydrophobicContact CG-CG 3.88Å; L412-F440 HydrophobicContact CB-CE1 3.85Å; L412-F440 HydrophobicContact CB-CZ 3.9Å; L412-F440 HydrophobicContact CD1-CE1 3.77Å; L412-F440 HydrophobicContact CG-CE1 4.46Å; L417-F440 HydrophobicContact CB-CZ 4.48Å; D419-F440 HydrophobicContact CB-CB 4.2Å; D419-F440 HydrophobicContact CB-CD2 3.86Å; D419-F440 HydrophobicContact CB-CG 4.33Å; D419-F440 PolarHBondContact OD1-N 3.02Å; L438-F440 HydrophobicContact CD1-CE1 4.27Å; L438-F440 HydrophobicContact CD2-CD1 4.4Å; L438-F440 HydrophobicContact CD2-CE1 3.62Å; L438-F440 HydrophobicContact CD2-CZ 3.79Å; L438-F440 HydrophobicContact CG-CD1 4.28Å; L438-F440 HydrophobicContact CG-CE1 3.96Å; L438-F440 HydrophobicContact CG-CZ 4.5Å
441	T	87.1	Confident	87.3	Confident	60 Å²	60	58.6 Å²	58.6	37%	0.368	33%	0.334	S	S	.	.			trans	-87.8	136.8	170.2	55.9	0	0	0	0	109.5	R354 F355 C439	R354-T441 HydrophobicContact CB-CG2 4.01Å; R354-T441 HydrophobicContact CG-CG2 4.41Å; F355-T441 PolarHBondContact O-N 3.25Å; F355-T441 PolarHBondContact O-OG1 2.68Å; C439-T441 PolarHBondContact O-N 3.14Å
442	S	67.8	Low	87.7	Confident	183 Å²	183	59.1 Å²	59.1	100%	1.28	33%	0.333	S	S	*	.			trans	-50.2	0	-176	-38.9	0	0	0	0	114.9

Retrieved 442 of 442 residues in 505.2 ms (Link to these results)

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