A0A087XS84_POEFO Loading...

sphinganine-1-phosphate aldolase

AlphaFold DB , UniProt , Accession A0A087XS84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 565 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	54.7	Low	72.2	Confident	237 Å²	237	132.6 Å²	132.6	100%	1.167	63%	0.631	S	S	*	*				0	115.5	0	-96.6	175.2	168.5	0	0	106.8
2	D	62.8	Low	73.4	Confident	106 Å²	106	132.3 Å²	132.3	57%	0.567	63%	0.628	S	S	*	*			trans	-78.2	119.5	-175.2	-164.2	-8.5	0	0	0	109.2	W4 S5	D2-W4 PolarHBondContact O-N 3.15Å; D2-W4 PolarHBondContact OD1-N 3.18Å; D2-S5 PolarHBondContact O-N 3.11Å; D2-S5 PolarHBondContact O-OG 3.26Å
3	Y	62.3	Low	74.3	Confident	194 Å²	194	129.2 Å²	129.2	76%	0.761	62%	0.615	S	S	*	*	H	α-helix	trans	-63.1	-26.5	-176.1	-95.1	-96.1	0	0	0	112	L7	Y3-L7 PolarHBondContact O-N 3.2Å
4	W	64.8	Low	75.1	Confident	198 Å²	198	127.8 Å²	127.8	75%	0.75	61%	0.612	S	S	*	*	H	α-helix	trans	-71.2	-41.3	-178.6	-72.6	99	0	0	0	112.9	D2 A6 L7 E8	D2-W4 PolarHBondContact O-N 3.15Å; D2-W4 PolarHBondContact OD1-N 3.18Å; W4-A6 VanDerWaalsContact C-N 3.31Å; W4-A6 PolarHBondContact O-N 3.37Å; W4-L7 PolarHBondContact O-N 2.86Å; W4-E8 PolarHBondContact O-N 2.66Å
5	S	70	Confident	76	Confident	62 Å²	62	125.7 Å²	125.7	43%	0.434	61%	0.605	S	S	.	*	H	α-helix	trans	-66.7	-33.1	178.3	57.6	0	0	0	0	112.5	D2 E8 V9	D2-S5 PolarHBondContact O-N 3.11Å; D2-S5 PolarHBondContact O-OG 3.26Å; S5-E8 PolarHBondContact O-N 3.03Å; S5-V9 WeakPolarHBondContact O-CG2 3.4Å; S5-V9 PolarHBondContact O-N 3.07Å
6	A	72.4	Confident	76.8	Confident	45 Å²	45	125.6 Å²	125.6	37%	0.372	61%	0.607	S	S	.	*	H	α-helix	trans	-68.7	-43.3	175.3	0	0	0	0	0	111.5	W4 E8 V9 Y10	W4-A6 VanDerWaalsContact C-N 3.31Å; W4-A6 PolarHBondContact O-N 3.37Å; A6-E8 VanDerWaalsContact C-N 3.26Å; A6-E8 PolarHBondContact O-N 3.44Å; A6-V9 PolarHBondContact O-N 2.88Å; A6-Y10 WeakPolarHBondContact O-CD2 3.48Å; A6-Y10 PolarHBondContact O-N 3.05Å
7	L	76.1	Confident	77.4	Confident	110 Å²	110	127.9 Å²	127.9	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-60.3	-35.7	175.2	-97.4	152.8	0	0	0	112.6	Y3 W4 Y10 K11	Y3-L7 PolarHBondContact O-N 3.2Å; W4-L7 PolarHBondContact O-N 2.86Å; L7-Y10 PolarHBondContact O-N 3.46Å; L7-K11 VanDerWaalsContact O-CB 3.32Å; L7-K11 WeakPolarHBondContact O-CB 3.48Å; L7-K11 PolarHBondContact O-N 2.61Å
8	E	80.9	Confident	77.8	Confident	124 Å²	124	126.8 Å²	126.8	58%	0.579	61%	0.607	S	S	*	*	H	α-helix	trans	-67.4	-44.3	177.8	-141	162.2	-157.9	0	0	111.9	W4 S5 A6 Y10 K11 E12	W4-E8 PolarHBondContact O-N 2.66Å; S5-E8 PolarHBondContact O-N 3.03Å; A6-E8 VanDerWaalsContact C-N 3.26Å; A6-E8 PolarHBondContact O-N 3.44Å; E8-Y10 PolarHBondContact O-N 2.89Å; E8-K11 WeakPolarHBondContact O-CB 3.39Å; E8-K11 PolarHBondContact O-N 2.88Å; E8-E12 WeakPolarHBondContact O-CG 3.42Å; E8-E12 PolarHBondContact O-N 3.28Å
9	V	82.6	Confident	78.3	Confident	81 Å²	81	125.4 Å²	125.4	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-63.1	-42.5	174.1	174.9	0	0	0	0	111.6	S5 A6 K11 E12 M13	S5-V9 WeakPolarHBondContact O-CG2 3.4Å; S5-V9 PolarHBondContact O-N 3.07Å; A6-V9 PolarHBondContact O-N 2.88Å; V9-K11 VanDerWaalsContact C-N 3.31Å; V9-K11 PolarHBondContact O-N 3.34Å; V9-E12 PolarHBondContact O-N 3.31Å; V9-M13 HydrophobicContact CG1-SD 4.33Å; V9-M13 WeakPolarHBondContact O-CB 3.33Å; V9-M13 WeakPolarHBondContact O-CG 3.5Å; V9-M13 PolarHBondContact O-N 3.35Å
10	Y	83	Confident	78.7	Confident	168 Å²	168	123.5 Å²	123.5	66%	0.659	59%	0.59	S	S	*	*	H	α-helix	trans	-64.4	-36.5	175.4	-76.7	-64.5	0	0	0	112.3	A6 L7 E8 L14	A6-Y10 WeakPolarHBondContact O-CD2 3.48Å; A6-Y10 PolarHBondContact O-N 3.05Å; L7-Y10 PolarHBondContact O-N 3.46Å; E8-Y10 PolarHBondContact O-N 2.89Å; Y10-L14 VanDerWaalsContact O-CB 3.28Å; Y10-L14 WeakPolarHBondContact O-CB 3.47Å; Y10-L14 PolarHBondContact O-N 3.4Å
11	K	84.4	Confident	78.9	Confident	134 Å²	134	119 Å²	119	58%	0.583	58%	0.577	S	S	*	*	H	α-helix	trans	-66	-44.7	175.1	-178.2	-174.2	175	-169.6	0	111.2	L7 E8 V9 L14 L15	L7-K11 VanDerWaalsContact O-CB 3.32Å; L7-K11 WeakPolarHBondContact O-CB 3.48Å; L7-K11 PolarHBondContact O-N 2.61Å; E8-K11 WeakPolarHBondContact O-CB 3.39Å; E8-K11 PolarHBondContact O-N 2.88Å; V9-K11 VanDerWaalsContact C-N 3.31Å; V9-K11 PolarHBondContact O-N 3.34Å; K11-L14 PolarHBondContact O-N 2.88Å; K11-L15 HydrophobicContact CG-CD1 4.31Å; K11-L15 VanDerWaalsContact O-CG 3.31Å; K11-L15 WeakPolarHBondContact O-CG 3.18Å; K11-L15 PolarHBondContact O-N 3.06Å
12	E	87.3	Confident	80.3	Confident	128 Å²	128	114.8 Å²	114.8	60%	0.598	55%	0.548	S	S	*	.	H	α-helix	trans	-63.9	-45.3	176.3	-75.2	-174.3	168.4	0	0	111.9	E8 V9 L14 L15 L16	E8-E12 WeakPolarHBondContact O-CG 3.42Å; E8-E12 PolarHBondContact O-N 3.28Å; V9-E12 PolarHBondContact O-N 3.31Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.24Å; E12-L15 PolarHBondContact O-N 3.4Å; E12-L16 WeakPolarHBondContact O-CB 3.17Å; E12-L16 PolarHBondContact O-N 3.47Å
13	M	84.5	Confident	81.4	Confident	93 Å²	93	117.8 Å²	117.8	46%	0.458	55%	0.551	S	S	.	*	H	α-helix	trans	-59	-44.6	174	-75.5	-176.7	70.6	0	0	111.5	V9 L15 L16 Y17	V9-M13 HydrophobicContact CG1-SD 4.33Å; V9-M13 WeakPolarHBondContact O-CB 3.33Å; V9-M13 WeakPolarHBondContact O-CG 3.5Å; V9-M13 PolarHBondContact O-N 3.35Å; M13-L15 PolarHBondContact O-N 3.01Å; M13-L16 PolarHBondContact O-N 2.9Å; M13-Y17 HydrophobicContact CE-CE2 4.09Å; M13-Y17 WeakPolarHBondContact O-CD2 3.32Å; M13-Y17 PolarHBondContact O-N 2.7Å
14	L	85.9	Confident	82.4	Confident	109 Å²	109	113.1 Å²	113.1	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-60.4	-44.7	177.1	-172.6	78.2	0	0	0	111.4	Y10 K11 E12 L16 Y17 L18	Y10-L14 VanDerWaalsContact O-CB 3.28Å; Y10-L14 WeakPolarHBondContact O-CB 3.47Å; Y10-L14 PolarHBondContact O-N 3.4Å; K11-L14 PolarHBondContact O-N 2.88Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.24Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.3Å; L14-Y17 PolarHBondContact O-N 3.43Å; L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 HydrophobicContact CG-CD1 4.11Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.26Å; L14-L18 PolarHBondContact O-N 3.45Å
15	L	88.5	Confident	83.1	Confident	96 Å²	96	109.1 Å²	109.1	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-41.1	177.1	-74.6	169	0	0	0	111.7	K11 E12 M13 L18 E19	K11-L15 HydrophobicContact CG-CD1 4.31Å; K11-L15 VanDerWaalsContact O-CG 3.31Å; K11-L15 WeakPolarHBondContact O-CG 3.18Å; K11-L15 PolarHBondContact O-N 3.06Å; E12-L15 PolarHBondContact O-N 3.4Å; M13-L15 PolarHBondContact O-N 3.01Å; L15-L18 PolarHBondContact O-N 3.06Å; L15-E19 WeakPolarHBondContact O-CB 3.2Å; L15-E19 PolarHBondContact O-N 3.31Å
16	L	88.6	Confident	83.8	Confident	124 Å²	124	111 Å²	111	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-66.5	-42.2	179.3	-148.4	143.9	0	0	0	111.4	E12 M13 L14 E19 E20	E12-L16 WeakPolarHBondContact O-CB 3.17Å; E12-L16 PolarHBondContact O-N 3.47Å; M13-L16 PolarHBondContact O-N 2.9Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.3Å; L16-E19 PolarHBondContact O-N 3.25Å; L16-E20 WeakPolarHBondContact O-CB 3.39Å; L16-E20 PolarHBondContact O-N 2.81Å
17	Y	87.1	Confident	84.4	Confident	165 Å²	165	112.8 Å²	112.8	65%	0.647	55%	0.545	S	S	*	.	H	α-helix	trans	-65.5	-37.2	172.3	-76.6	-63.6	0	0	0	112.9	M13 L14 G21	M13-Y17 HydrophobicContact CE-CE2 4.09Å; M13-Y17 WeakPolarHBondContact O-CD2 3.32Å; M13-Y17 PolarHBondContact O-N 2.7Å; L14-Y17 PolarHBondContact O-N 3.43Å; Y17-G21 PolarHBondContact O-N 3.32Å
18	L	85.1	Confident	84.8	Confident	108 Å²	108	116.7 Å²	116.7	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-39.6	175.3	-75.9	169.2	0	0	0	111.7	L14 L15 R22	L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 HydrophobicContact CG-CD1 4.11Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.26Å; L14-L18 PolarHBondContact O-N 3.45Å; L15-L18 PolarHBondContact O-N 3.06Å; L18-R22 WeakPolarHBondContact O-CB 3.34Å; L18-R22 PolarHBondContact O-N 3.39Å
19	E	86.6	Confident	84.9	Confident	100 Å²	100	112.4 Å²	112.4	47%	0.467	54%	0.535	S	S	.	.	H	α-helix	trans	-72.7	-40.2	-179.6	-168	162.3	-150.9	0	0	112.3	L15 L16 R22 R23	L15-E19 WeakPolarHBondContact O-CB 3.2Å; L15-E19 PolarHBondContact O-N 3.31Å; L16-E19 PolarHBondContact O-N 3.25Å; E19-R22 WeakPolarHBondContact O-CB 3.36Å; E19-R22 PolarHBondContact O-N 3.45Å; E19-R22 IonicContact OE1-NH2 3.67Å; E19-R23 PolarHBondContact O-N 2.87Å
20	E	86.1	Confident	85	Confident	87 Å²	87	113.2 Å²	113.2	41%	0.407	54%	0.544	S	S	.	.	H	α-helix	trans	-63.5	-44	171.6	-175.9	54.4	-147.9	0	0	111	L16 R22 R23 Q24	L16-E20 WeakPolarHBondContact O-CB 3.39Å; L16-E20 PolarHBondContact O-N 2.81Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 2.92Å; E20-R23 PolarHBondContact O-N 3.38Å; E20-Q24 WeakPolarHBondContact O-CG 3.28Å; E20-Q24 PolarHBondContact O-N 3.19Å; E20-Q24 PolarHBondContact OE1-NE2 2.93Å
21	G	83.7	Confident	85.2	Confident	31 Å²	31	111.9 Å²	111.9	32%	0.32	54%	0.544	S	S	.	.	H	α-helix	trans	-58.1	-43.3	172.9	0	0	0	0	0	112.5	Y17 Q24 L25	Y17-G21 PolarHBondContact O-N 3.32Å; G21-Q24 PolarHBondContact O-N 2.98Å; G21-L25 WeakPolarHBondContact O-CB 3.39Å; G21-L25 PolarHBondContact O-N 3.22Å
22	R	83.5	Confident	85.4	Confident	148 Å²	148	108.6 Å²	108.6	56%	0.558	53%	0.532	S	S	*	.	H	α-helix	trans	-62.2	-45.4	175.6	-173.4	-177.5	75.5	162	-2.2	111.7	L18 E19 E20 L25 N26	L18-R22 WeakPolarHBondContact O-CB 3.34Å; L18-R22 PolarHBondContact O-N 3.39Å; E19-R22 WeakPolarHBondContact O-CB 3.36Å; E19-R22 PolarHBondContact O-N 3.45Å; E19-R22 IonicContact OE1-NH2 3.67Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 2.92Å; R22-L25 PolarHBondContact O-N 2.94Å; R22-N26 WeakPolarHBondContact O-CB 3.35Å; R22-N26 VanDerWaalsContact O-CG 3.29Å; R22-N26 PolarHBondContact O-N 2.62Å
23	R	85.1	Confident	85.6	Confident	168 Å²	168	107.9 Å²	107.9	63%	0.634	53%	0.529	S	S	*	.	H	α-helix	trans	-60.3	-45.8	177	-91.3	-173.9	-176	167.2	3.7	111.8	E19 E20 N26 S27	E19-R23 PolarHBondContact O-N 2.87Å; E20-R23 PolarHBondContact O-N 3.38Å; R23-N26 PolarHBondContact O-N 2.92Å; R23-S27 VanDerWaalsContact O-CB 3.32Å; R23-S27 WeakPolarHBondContact O-CB 3.25Å; R23-S27 PolarHBondContact O-N 3.47Å
24	Q	84.5	Confident	85.6	Confident	96 Å²	96	108.2 Å²	108.2	45%	0.449	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-42.1	178.8	-71.1	-176.5	18.8	0	0	112.2	E20 G21 S27 R28	E20-Q24 WeakPolarHBondContact O-CG 3.28Å; E20-Q24 PolarHBondContact O-N 3.19Å; E20-Q24 PolarHBondContact OE1-NE2 2.93Å; G21-Q24 PolarHBondContact O-N 2.98Å; Q24-S27 PolarHBondContact O-N 2.95Å; Q24-R28 WeakPolarHBondContact O-CB 3.44Å; Q24-R28 WeakPolarHBondContact O-CG 3.34Å; Q24-R28 PolarHBondContact O-N 3.4Å
25	L	80.1	Confident	85.7	Confident	114 Å²	114	110.7 Å²	110.7	60%	0.597	54%	0.54	S	S	*	.	H	α-helix	trans	-61.8	-48.4	175.1	-111.1	150.2	0	0	0	111.6	G21 R22 S27 R28 C29	G21-L25 WeakPolarHBondContact O-CB 3.39Å; G21-L25 PolarHBondContact O-N 3.22Å; R22-L25 PolarHBondContact O-N 2.94Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.5Å; L25-R28 PolarHBondContact O-N 3.45Å; L25-C29 WeakPolarHBondContact O-CB 3.49Å; L25-C29 PolarHBondContact O-N 2.86Å; L25-C29 PolarHBondContact O-SG 3.36Å
26	N	83.3	Confident	85.8	Confident	102 Å²	102	109.5 Å²	109.5	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-39.9	178.3	-74	-9.4	0	0	0	112.1	R22 R23 C29 S30	R22-N26 WeakPolarHBondContact O-CB 3.35Å; R22-N26 VanDerWaalsContact O-CG 3.29Å; R22-N26 PolarHBondContact O-N 2.62Å; R23-N26 PolarHBondContact O-N 2.92Å; N26-C29 CarbonylContact O-C 3.58Å; N26-C29 PolarHBondContact O-N 2.91Å; N26-S30 WeakPolarHBondContact O-CA 3.48Å; N26-S30 WeakPolarHBondContact O-CB 3.06Å; N26-S30 PolarHBondContact O-N 2.98Å
27	S	85.6	Confident	85.7	Confident	83 Å²	83	106.7 Å²	106.7	58%	0.58	52%	0.516	S	S	*	.	H	α-helix	trans	-65.3	-40.4	175.6	174.5	0	0	0	0	111.9	R23 Q24 L25 C29 S30	R23-S27 VanDerWaalsContact O-CB 3.32Å; R23-S27 WeakPolarHBondContact O-CB 3.25Å; R23-S27 PolarHBondContact O-N 3.47Å; Q24-S27 PolarHBondContact O-N 2.95Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.5Å; S27-C29 VanDerWaalsContact C-N 3.33Å; S27-S30 PolarHBondContact O-N 2.89Å; S27-S30 PolarHBondContact O-OG 3.5Å; S27-S30 VanDerWaalsContact O-OG 3.05Å
28	R	83.6	Confident	85.8	Confident	191 Å²	191	104.1 Å²	104.1	72%	0.721	51%	0.513	S	S	*	.	H	α-helix	trans	-71.1	-27.9	176.7	-73.3	-175.2	-176.5	-164	3.3	113.1	Q24 L25 H31	Q24-R28 WeakPolarHBondContact O-CB 3.44Å; Q24-R28 WeakPolarHBondContact O-CG 3.34Å; Q24-R28 PolarHBondContact O-N 3.4Å; L25-R28 PolarHBondContact O-N 3.45Å; R28-H31 PolarHBondContact O-CE1 2.9Å; R28-H31 PolarHBondContact O-ND1 3.32Å
29	C	83.3	Confident	86.1	Confident	35 Å²	35	100.3 Å²	100.3	24%	0.236	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	5.1	178.7	-64.6	0	0	0	0	113.6	L25 N26 S27 H31 L32 I37	L25-C29 WeakPolarHBondContact O-CB 3.49Å; L25-C29 PolarHBondContact O-N 2.86Å; L25-C29 PolarHBondContact O-SG 3.36Å; N26-C29 CarbonylContact O-C 3.58Å; N26-C29 PolarHBondContact O-N 2.91Å; S27-C29 VanDerWaalsContact C-N 3.33Å; C29-H31 PolarHBondContact O-N 3.41Å; C29-H31 VanDerWaalsContact O-N 3.07Å; C29-L32 HydrophobicContact CB-CD1 4.48Å; C29-L32 PolarHBondContact O-N 3.36Å; C29-I37 HydrophobicContact CB-CD1 4.04Å
30	S	85	Confident	86.1	Confident	97 Å²	97	97.9 Å²	97.9	68%	0.678	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.3	-172.7	68.2	0	0	0	0	114.6	N26 S27	N26-S30 WeakPolarHBondContact O-CA 3.48Å; N26-S30 WeakPolarHBondContact O-CB 3.06Å; N26-S30 PolarHBondContact O-N 2.98Å; S27-S30 PolarHBondContact O-N 2.89Å; S27-S30 PolarHBondContact O-OG 3.5Å; S27-S30 VanDerWaalsContact O-OG 3.05Å
31	H	88.5	Confident	86.3	Confident	141 Å²	141	96.8 Å²	96.8	65%	0.653	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	0.6	179.5	64.2	-83.6	0	0	0	113.1	R28 C29	R28-H31 PolarHBondContact O-CE1 2.9Å; R28-H31 PolarHBondContact O-ND1 3.32Å; C29-H31 PolarHBondContact O-N 3.41Å; C29-H31 VanDerWaalsContact O-N 3.07Å
32	L	88.3	Confident	86.7	Confident	64 Å²	64	99 Å²	99	34%	0.335	51%	0.506	S	S	.	.	S	Bend	trans	-106	138	-177.5	-61.3	175.1	0	0	0	110.6	C29 Q36 I37	C29-L32 HydrophobicContact CB-CD1 4.48Å; C29-L32 PolarHBondContact O-N 3.36Å; L32-Q36 HydrophobicContact CB-CB 4.46Å; L32-I37 HydrophobicContact CB-CD1 4.29Å; L32-I37 HydrophobicContact CB-CG1 3.87Å; L32-I37 HydrophobicContact CD1-CG1 4.34Å
33	E	89.9	Confident	87.2	Confident	113 Å²	113	97.6 Å²	97.6	53%	0.528	51%	0.509	S	S	.	.			trans	-72.5	150.8	172.8	-66.2	-169.6	167.2	0	0	110.9	W35 Q36 I37	E33-W35 PolarHBondContact O-N 3.1Å; E33-W35 VanDerWaalsContact O-N 3.09Å; E33-W35 PolarHBondContact OE2-NE1 3.26Å; E33-Q36 HydrophobicContact CB-CG 4.3Å; E33-Q36 WeakPolarHBondContact O-CB 3.46Å; E33-Q36 PolarHBondContact O-N 3.39Å; E33-I37 PolarHBondContact O-N 3.19Å
34	P	86.4	Confident	87.5	Confident	100 Å²	100	93.7 Å²	93.7	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-52.4	-37.4	-177	-29.9	35.7	0	0	0	114.6	Q36 I37 I38	P34-Q36 VanDerWaalsContact C-N 3.33Å; P34-Q36 PolarHBondContact O-N 3.13Å; P34-I37 PolarHBondContact O-N 3.07Å; P34-I38 WeakPolarHBondContact O-CG1 3.35Å; P34-I38 PolarHBondContact O-N 2.92Å; P34-I38 VanDerWaalsContact O-N 3.07Å
35	W	87.4	Confident	87.9	Confident	161 Å²	161	93 Å²	93	61%	0.61	51%	0.506	S	S	*	.	H	α-helix	trans	-69.1	-29.8	178.1	71.8	-94.4	0	0	0	112.7	E33 G39	E33-W35 PolarHBondContact O-N 3.1Å; E33-W35 VanDerWaalsContact O-N 3.09Å; E33-W35 PolarHBondContact OE2-NE1 3.26Å; W35-G39 PolarHBondContact O-N 3.02Å
36	Q	89.5	Confident	88.4	Confident	71 Å²	71	92.3 Å²	92.3	33%	0.332	50%	0.502	S	S	.	.	H	α-helix	trans	-70.4	-39.1	176.6	-62.6	177.4	-44.3	0	0	110.7	L32 E33 P34 G39 A40	L32-Q36 HydrophobicContact CB-CB 4.46Å; E33-Q36 HydrophobicContact CB-CG 4.3Å; E33-Q36 WeakPolarHBondContact O-CB 3.46Å; E33-Q36 PolarHBondContact O-N 3.39Å; P34-Q36 VanDerWaalsContact C-N 3.33Å; P34-Q36 PolarHBondContact O-N 3.13Å; Q36-G39 PolarHBondContact O-N 2.94Å; Q36-A40 VanDerWaalsContact O-CB 3.22Å; Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 2.93Å
37	I	88.1	Confident	88.7	Confident	65 Å²	65	90 Å²	90	33%	0.333	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-45.8	175.4	-60.1	174	0	0	0	110.1	C29 L32 E33 P34 S41	C29-I37 HydrophobicContact CB-CD1 4.04Å; L32-I37 HydrophobicContact CB-CD1 4.29Å; L32-I37 HydrophobicContact CB-CG1 3.87Å; L32-I37 HydrophobicContact CD1-CG1 4.34Å; E33-I37 PolarHBondContact O-N 3.19Å; P34-I37 PolarHBondContact O-N 3.07Å; I37-S41 VanDerWaalsContact O-CB 3.28Å; I37-S41 WeakPolarHBondContact O-CB 3.25Å; I37-S41 PolarHBondContact O-N 2.89Å; I37-S41 PolarHBondContact O-OG 3.2Å
38	I	87.9	Confident	89	Confident	111 Å²	111	90.2 Å²	90.2	57%	0.569	50%	0.495	S	S	*	.	H	α-helix	trans	-61.4	-48.8	175.6	-66.8	167.2	0	0	0	110.2	P34 S41 V42	P34-I38 WeakPolarHBondContact O-CG1 3.35Å; P34-I38 PolarHBondContact O-N 2.92Å; P34-I38 VanDerWaalsContact O-N 3.07Å; I38-S41 PolarHBondContact O-N 3.44Å; I38-V42 HydrophobicContact CG2-CG2 4.42Å; I38-V42 WeakPolarHBondContact O-CG2 3.26Å; I38-V42 PolarHBondContact O-N 2.99Å
39	G	91.3	Very high	88.9	Confident	28 Å²	28	85.1 Å²	85.1	29%	0.289	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-47.8	179.6	0	0	0	0	0	112.8	W35 Q36 S41 V42 L43	W35-G39 PolarHBondContact O-N 3.02Å; Q36-G39 PolarHBondContact O-N 2.94Å; G39-S41 VanDerWaalsContact C-N 3.34Å; G39-S41 PolarHBondContact O-N 2.97Å; G39-V42 PolarHBondContact O-N 2.98Å; G39-L43 WeakPolarHBondContact O-CB 3.36Å; G39-L43 VanDerWaalsContact O-CG 3.31Å; G39-L43 WeakPolarHBondContact O-CG 3.25Å; G39-L43 PolarHBondContact O-N 3.25Å
40	A	88.1	Confident	89.1	Confident	50 Å²	50	91.2 Å²	91.2	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-39.4	177.1	0	0	0	0	0	111.9	Q36 T44	Q36-A40 VanDerWaalsContact O-CB 3.22Å; Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 2.93Å; A40-T44 WeakPolarHBondContact O-CB 3.43Å; A40-T44 PolarHBondContact O-N 3.39Å; A40-T44 PolarHBondContact O-OG1 3.18Å
41	S	88.9	Confident	89	Confident	63 Å²	63	90.6 Å²	90.6	44%	0.441	49%	0.489	S	S	.	.	H	α-helix	trans	-66	-44.6	177.6	-59.6	0	0	0	0	111.7	I37 I38 G39 T45	I37-S41 VanDerWaalsContact O-CB 3.28Å; I37-S41 WeakPolarHBondContact O-CB 3.25Å; I37-S41 PolarHBondContact O-N 2.89Å; I37-S41 PolarHBondContact O-OG 3.2Å; I38-S41 PolarHBondContact O-N 3.44Å; G39-S41 VanDerWaalsContact C-N 3.34Å; G39-S41 PolarHBondContact O-N 2.97Å; S41-T45 VanDerWaalsContact O-CB 3.27Å; S41-T45 WeakPolarHBondContact O-CB 3.27Å; S41-T45 PolarHBondContact O-N 3.18Å; S41-T45 PolarHBondContact O-OG1 3.44Å
42	V	93.2	Very high	88.4	Confident	77 Å²	77	90 Å²	90	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-49.4	176	171	0	0	0	0	110.5	I38 G39 T44 T45 L46	I38-V42 HydrophobicContact CG2-CG2 4.42Å; I38-V42 WeakPolarHBondContact O-CG2 3.26Å; I38-V42 PolarHBondContact O-N 2.99Å; G39-V42 PolarHBondContact O-N 2.98Å; V42-T44 PolarHBondContact O-N 2.73Å; V42-T45 PolarHBondContact O-N 3.37Å; V42-L46 HydrophobicContact CG1-CD1 3.77Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CB 3.32Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.23Å; V42-L46 PolarHBondContact O-N 3.35Å
43	L	93.3	Very high	87.6	Confident	120 Å²	120	95.9 Å²	95.9	63%	0.628	50%	0.502	S	S	*	.	H	α-helix	trans	-62	-43.5	179.5	-75.8	170.6	0	0	0	112.1	G39 L46 A47	G39-L43 WeakPolarHBondContact O-CB 3.36Å; G39-L43 VanDerWaalsContact O-CG 3.31Å; G39-L43 WeakPolarHBondContact O-CG 3.25Å; G39-L43 PolarHBondContact O-N 3.25Å; L43-L46 PolarHBondContact O-N 3Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 2.95Å
44	T	91.9	Very high	86.8	Confident	85 Å²	85	93.9 Å²	93.9	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-42.4	177.7	-55.8	0	0	0	0	110.7	A40 V42 A47 V48	A40-T44 WeakPolarHBondContact O-CB 3.43Å; A40-T44 PolarHBondContact O-N 3.39Å; A40-T44 PolarHBondContact O-OG1 3.18Å; V42-T44 PolarHBondContact O-N 2.73Å; T44-A47 PolarHBondContact O-N 2.75Å; T44-V48 HydrophobicContact CG2-CG2 4.4Å; T44-V48 WeakPolarHBondContact O-CB 3.43Å; T44-V48 VanDerWaalsContact O-CG2 3.26Å; T44-V48 WeakPolarHBondContact O-CG2 3.23Å; T44-V48 PolarHBondContact O-N 3.26Å
45	T	91.6	Very high	86	Confident	81 Å²	81	94 Å²	94	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-46.5	176.5	-58.9	0	0	0	0	111.1	S41 V42 A47 V48 L49	S41-T45 VanDerWaalsContact O-CB 3.27Å; S41-T45 WeakPolarHBondContact O-CB 3.27Å; S41-T45 PolarHBondContact O-N 3.18Å; S41-T45 PolarHBondContact O-OG1 3.44Å; V42-T45 PolarHBondContact O-N 3.37Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 3.46Å; T45-V48 PolarHBondContact O-N 3.45Å; T45-L49 HydrophobicContact CG2-CD1 4.09Å; T45-L49 HydrophobicContact CG2-CG 4.44Å; T45-L49 WeakPolarHBondContact O-CB 3.36Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.22Å; T45-L49 PolarHBondContact O-N 2.78Å
46	L	91.4	Very high	85	Confident	100 Å²	100	93.3 Å²	93.3	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-39.9	175.9	-70.8	175.6	0	0	0	111.7	V42 L43 L49 W50	V42-L46 HydrophobicContact CG1-CD1 3.77Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CB 3.32Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.23Å; V42-L46 PolarHBondContact O-N 3.35Å; L43-L46 PolarHBondContact O-N 3Å; L46-L49 PolarHBondContact O-N 3.09Å; L46-W50 WeakPolarHBondContact O-CB 3.4Å; L46-W50 PolarHBondContact O-N 2.78Å
47	A	90.7	Very high	83.8	Confident	54 Å²	54	94.4 Å²	94.4	45%	0.446	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-41.8	176.4	0	0	0	0	0	111.9	L43 T44 T45 W50 L51	L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 2.95Å; T44-A47 PolarHBondContact O-N 2.75Å; T45-A47 VanDerWaalsContact C-N 3.34Å; T45-A47 PolarHBondContact O-N 3.46Å; A47-W50 PolarHBondContact O-N 3.08Å; A47-L51 WeakPolarHBondContact O-CB 3.39Å; A47-L51 PolarHBondContact O-N 2.68Å
48	V	90.1	Very high	82.5	Confident	87 Å²	87	98.2 Å²	98.2	53%	0.527	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-42.5	175.1	170	0	0	0	0	110.9	T44 T45 L51 K52	T44-V48 HydrophobicContact CG2-CG2 4.4Å; T44-V48 WeakPolarHBondContact O-CB 3.43Å; T44-V48 VanDerWaalsContact O-CG2 3.26Å; T44-V48 WeakPolarHBondContact O-CG2 3.23Å; T44-V48 PolarHBondContact O-N 3.26Å; T45-V48 PolarHBondContact O-N 3.45Å; V48-L51 PolarHBondContact O-N 2.98Å; V48-K52 WeakPolarHBondContact O-CB 3.35Å; V48-K52 PolarHBondContact O-N 3.05Å
49	L	83.4	Confident	81.5	Confident	84 Å²	84	97.4 Å²	97.4	44%	0.44	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-40.6	175	-72.9	175.7	0	0	0	111.6	T45 L46 R53	T45-L49 HydrophobicContact CG2-CD1 4.09Å; T45-L49 HydrophobicContact CG2-CG 4.44Å; T45-L49 WeakPolarHBondContact O-CB 3.36Å; T45-L49 VanDerWaalsContact O-CG 3.26Å; T45-L49 WeakPolarHBondContact O-CG 3.22Å; T45-L49 PolarHBondContact O-N 2.78Å; L46-L49 PolarHBondContact O-N 3.09Å; L49-R53 VanDerWaalsContact O-CB 3.3Å; L49-R53 WeakPolarHBondContact O-CB 3.35Å; L49-R53 VanDerWaalsContact O-CG 3.29Å; L49-R53 WeakPolarHBondContact O-CG 3.41Å; L49-R53 PolarHBondContact O-N 3.2Å
50	W	86.6	Confident	80.3	Confident	163 Å²	163	99.1 Å²	99.1	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-63.5	-48.2	174.4	178.6	90.5	0	0	0	110.9	L46 A47 R53 F54	L46-W50 WeakPolarHBondContact O-CB 3.4Å; L46-W50 PolarHBondContact O-N 2.78Å; A47-W50 PolarHBondContact O-N 3.08Å; W50-R53 CarbonylContact O-C 3.45Å; W50-R53 PolarHBondContact O-N 3.31Å; W50-F54 HydrophobicContact CH2-CD2 4.38Å; W50-F54 HydrophobicContact CH2-CG 4.3Å; W50-F54 HydrophobicContact CZ2-CD2 4.27Å; W50-F54 HydrophobicContact CZ2-CG 4.49Å; W50-F54 WeakPolarHBondContact O-CB 3.27Å; W50-F54 PolarHBondContact O-N 2.9Å
51	L	81.9	Confident	79.4	Confident	84 Å²	84	101.2 Å²	101.2	44%	0.44	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-43.5	179.6	-175.3	66.3	0	0	0	111.1	A47 V48 F54 L55	A47-L51 WeakPolarHBondContact O-CB 3.39Å; A47-L51 PolarHBondContact O-N 2.68Å; V48-L51 PolarHBondContact O-N 2.98Å; L51-F54 PolarHBondContact O-N 3.29Å; L51-L55 HydrophobicContact CD1-CD1 4.07Å; L51-L55 HydrophobicContact CD1-CG 4.16Å; L51-L55 HydrophobicContact CD2-CD1 4.46Å; L51-L55 HydrophobicContact CG-CD1 3.86Å; L51-L55 HydrophobicContact CG-CG 4.31Å; L51-L55 WeakPolarHBondContact O-CB 3.34Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.23Å; L51-L55 PolarHBondContact O-N 2.99Å
52	K	77.4	Confident	78.5	Confident	130 Å²	130	102.8 Å²	102.8	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-60.5	-48.4	173.7	-176	-179	178.7	-178.8	0	110.5	V48 F54 L55 F56	V48-K52 WeakPolarHBondContact O-CB 3.35Å; V48-K52 PolarHBondContact O-N 3.05Å; K52-F54 VanDerWaalsContact C-N 3.29Å; K52-F54 PolarHBondContact O-N 3.05Å; K52-L55 PolarHBondContact O-N 3.28Å; K52-F56 HydrophobicContact CG-CD2 3.93Å; K52-F56 HydrophobicContact CG-CE2 4.37Å; K52-F56 WeakPolarHBondContact O-CB 3.32Å; K52-F56 VanDerWaalsContact O-CD2 3.27Å; K52-F56 WeakPolarHBondContact O-CD2 3.4Å; K52-F56 PolarHBondContact O-N 3.48Å
53	R	71.5	Confident	77.4	Confident	187 Å²	187	101.6 Å²	101.6	71%	0.706	51%	0.511	S	S	*	.	H	α-helix	trans	-59.4	-42	175.1	-78.9	179.2	-179.9	-175.4	1.8	111.1	L49 W50 Q57	L49-R53 VanDerWaalsContact O-CB 3.3Å; L49-R53 WeakPolarHBondContact O-CB 3.35Å; L49-R53 VanDerWaalsContact O-CG 3.29Å; L49-R53 WeakPolarHBondContact O-CG 3.41Å; L49-R53 PolarHBondContact O-N 3.2Å; W50-R53 CarbonylContact O-C 3.45Å; W50-R53 PolarHBondContact O-N 3.31Å; R53-Q57 WeakPolarHBondContact O-CG 3.43Å; R53-Q57 PolarHBondContact O-N 3.26Å
54	F	73.4	Confident	76.3	Confident	71 Å²	71	97.3 Å²	97.3	31%	0.311	49%	0.486	S	S	.	.	H	α-helix	trans	-69.4	-38.1	-178.1	178.7	-96.5	0	0	0	113.7	W50 L51 K52 R64	W50-F54 HydrophobicContact CH2-CD2 4.38Å; W50-F54 HydrophobicContact CH2-CG 4.3Å; W50-F54 HydrophobicContact CZ2-CD2 4.27Å; W50-F54 HydrophobicContact CZ2-CG 4.49Å; W50-F54 WeakPolarHBondContact O-CB 3.27Å; W50-F54 PolarHBondContact O-N 2.9Å; L51-F54 PolarHBondContact O-N 3.29Å; K52-F54 VanDerWaalsContact C-N 3.29Å; K52-F54 PolarHBondContact O-N 3.05Å; F54-R64 VanDerWaalsContact CE2-NH1 3.29Å; F54-R64 PolarHBondContact O-NH1 3.42Å; F54-R64 PolarHBondContact O-NH2 3.16Å
55	L	68.8	Low	75.6	Confident	101 Å²	101	97.8 Å²	97.8	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-77.1	-35.4	178.5	-70.3	174.2	0	0	0	112	L51 K52	L51-L55 HydrophobicContact CD1-CD1 4.07Å; L51-L55 HydrophobicContact CD1-CG 4.16Å; L51-L55 HydrophobicContact CD2-CD1 4.46Å; L51-L55 HydrophobicContact CG-CD1 3.86Å; L51-L55 HydrophobicContact CG-CG 4.31Å; L51-L55 WeakPolarHBondContact O-CB 3.34Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.23Å; L51-L55 PolarHBondContact O-N 2.99Å; K52-L55 PolarHBondContact O-N 3.28Å
56	F	65.3	Low	74.8	Confident	147 Å²	147	100.7 Å²	100.7	65%	0.645	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	32.9	-177.8	-61.4	-76.8	0	0	0	113.2	K52	K52-F56 HydrophobicContact CG-CD2 3.93Å; K52-F56 HydrophobicContact CG-CE2 4.37Å; K52-F56 WeakPolarHBondContact O-CB 3.32Å; K52-F56 VanDerWaalsContact O-CD2 3.27Å; K52-F56 WeakPolarHBondContact O-CD2 3.4Å; K52-F56 PolarHBondContact O-N 3.48Å
57	Q	66.2	Low	73.9	Confident	95 Å²	95	100.4 Å²	100.4	44%	0.444	48%	0.484	S	S	.	.			trans	-69.3	165.4	173.3	-64.9	-170.2	-26.3	0	0	112.1	R53 E59	R53-Q57 WeakPolarHBondContact O-CG 3.43Å; R53-Q57 PolarHBondContact O-N 3.26Å; Q57-E59 VanDerWaalsContact C-N 3.3Å; Q57-E59 PolarHBondContact O-N 2.92Å
58	R	60.7	Low	73.1	Confident	145 Å²	145	103.7 Å²	103.7	55%	0.547	49%	0.491	S	S	.	.	S	Bend	trans	-62.9	-33.1	179.4	-64.3	-177	-177.9	155	6.1	113.3	G249	R58-G249 VanDerWaalsContact CZ-C 3.5Å; R58-G249 VanDerWaalsContact CZ-O 3.22Å; R58-G249 PolarHBondContact NE-O 3.21Å; R58-G249 PolarHBondContact NH2-O 3.1Å
59	E	65.3	Low	72.7	Confident	93 Å²	93	103 Å²	103	44%	0.435	49%	0.487	S	S	.	.	S	Bend	trans	-94	142.2	178.6	-68.7	-174.2	-179.9	0	0	111.9	Q57 R64 K67	Q57-E59 VanDerWaalsContact C-N 3.3Å; Q57-E59 PolarHBondContact O-N 2.92Å; E59-R64 HydrophobicContact CB-CG 4.09Å; E59-K67 IonicContact OE1-NZ 3.99Å
60	S	67.4	Low	72.5	Confident	65 Å²	65	102.1 Å²	102.1	46%	0.455	48%	0.479	S	S	.	.			trans	-66.1	152	175.8	69.7	0	0	0	0	111.9	T62 S63 R64	S60-T62 VanDerWaalsContact C-N 3.27Å; S60-T62 PolarHBondContact O-N 3.26Å; S60-T62 PolarHBondContact OG-OG1 3.41Å; S60-S63 PolarHBondContact O-N 3.07Å; S60-S63 WeakPolarHBondContact OG-CB 3.26Å; S60-S63 PolarHBondContact OG-N 3.38Å; S60-R64 WeakPolarHBondContact O-CG 3.49Å; S60-R64 PolarHBondContact O-N 2.87Å; S60-R64 VanDerWaalsContact O-N 3.12Å
61	L	68.8	Low	72	Confident	94 Å²	94	99.2 Å²	99.2	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-57.6	-40.2	177.8	-174.5	67.5	0	0	0	112.1	R64 I65	L61-R64 PolarHBondContact O-N 2.97Å; L61-I65 HydrophobicContact CD1-CD1 4.35Å; L61-I65 HydrophobicContact CD2-CD1 4.49Å; L61-I65 HydrophobicContact CG-CD1 3.94Å; L61-I65 WeakPolarHBondContact O-CG1 3.45Å; L61-I65 PolarHBondContact O-N 2.98Å
62	T	69.4	Low	72	Confident	96 Å²	96	100.5 Å²	100.5	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-64.8	-40.6	178.6	51	0	0	0	0	112.7	S60 R64 K66	S60-T62 VanDerWaalsContact C-N 3.27Å; S60-T62 PolarHBondContact O-N 3.26Å; S60-T62 PolarHBondContact OG-OG1 3.41Å; T62-R64 VanDerWaalsContact C-N 3.35Å; T62-K66 WeakPolarHBondContact O-CB 3.45Å; T62-K66 WeakPolarHBondContact O-CG 3.41Å; T62-K66 PolarHBondContact O-N 3.43Å
63	S	69.5	Low	72.2	Confident	52 Å²	52	97.5 Å²	97.5	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-62.2	-44	175.3	-174.4	0	0	0	0	111.1	S60 K66 K67	S60-S63 PolarHBondContact O-N 3.07Å; S60-S63 WeakPolarHBondContact OG-CB 3.26Å; S60-S63 PolarHBondContact OG-N 3.38Å; S63-K66 PolarHBondContact O-N 3.31Å; S63-K67 WeakPolarHBondContact O-CB 3.37Å; S63-K67 PolarHBondContact O-N 3.18Å
64	R	71.6	Confident	72.5	Confident	29 Å²	29	91.7 Å²	91.7	11%	0.109	45%	0.447	C	S	.	.	H	α-helix	trans	-62.3	-49.3	178.2	-68.8	-174.6	-66.8	172.4	0.5	112.1	F54 E59 S60 L61 T62 K66 K67 Q68	F54-R64 VanDerWaalsContact CE2-NH1 3.29Å; F54-R64 PolarHBondContact O-NH1 3.42Å; F54-R64 PolarHBondContact O-NH2 3.16Å; E59-R64 HydrophobicContact CB-CG 4.09Å; S60-R64 WeakPolarHBondContact O-CG 3.49Å; S60-R64 PolarHBondContact O-N 2.87Å; S60-R64 VanDerWaalsContact O-N 3.12Å; L61-R64 PolarHBondContact O-N 2.97Å; T62-R64 VanDerWaalsContact C-N 3.35Å; R64-K66 PolarHBondContact O-N 2.89Å; R64-K67 PolarHBondContact O-N 2.86Å; R64-Q68 WeakPolarHBondContact O-CB 3.5Å; R64-Q68 PolarHBondContact O-N 2.97Å
65	I	76.6	Confident	72.9	Confident	95 Å²	95	96.3 Å²	96.3	49%	0.487	47%	0.467	S	S	.	.	H	α-helix	trans	-59.6	-48.1	178.4	-68.1	168.7	0	0	0	110.2	L61 K67 Q68 V69	L61-I65 HydrophobicContact CD1-CD1 4.35Å; L61-I65 HydrophobicContact CD2-CD1 4.49Å; L61-I65 HydrophobicContact CG-CD1 3.94Å; L61-I65 WeakPolarHBondContact O-CG1 3.45Å; L61-I65 PolarHBondContact O-N 2.98Å; I65-K67 PolarHBondContact O-N 2.67Å; I65-Q68 PolarHBondContact O-N 3.45Å; I65-V69 HydrophobicContact CG2-CG2 4.3Å; I65-V69 VanDerWaalsContact O-CG2 3.31Å; I65-V69 WeakPolarHBondContact O-CG2 3.48Å; I65-V69 PolarHBondContact O-N 3.36Å
66	K	74.6	Confident	73.8	Confident	143 Å²	143	95.6 Å²	95.6	62%	0.622	46%	0.463	S	S	*	.	H	α-helix	trans	-56.4	-50.6	176.7	-78.4	-176	177	-173.8	0	111.4	T62 S63 R64 Q68 V69 F70	T62-K66 WeakPolarHBondContact O-CB 3.45Å; T62-K66 WeakPolarHBondContact O-CG 3.41Å; T62-K66 PolarHBondContact O-N 3.43Å; S63-K66 PolarHBondContact O-N 3.31Å; R64-K66 PolarHBondContact O-N 2.89Å; K66-Q68 VanDerWaalsContact C-N 3.29Å; K66-Q68 PolarHBondContact O-N 2.55Å; K66-V69 PolarHBondContact O-N 3.12Å; K66-F70 WeakPolarHBondContact O-CD2 3.39Å; K66-F70 PolarHBondContact O-N 2.71Å
67	K	72.1	Confident	74.5	Confident	93 Å²	93	93.2 Å²	93.2	40%	0.404	46%	0.462	S	S	.	.	H	α-helix	trans	-57.9	-42.5	179.1	-172.8	176.6	-178.2	177.8	0	111.8	E59 S63 R64 I65 F70 Q71	E59-K67 IonicContact OE1-NZ 3.99Å; S63-K67 WeakPolarHBondContact O-CB 3.37Å; S63-K67 PolarHBondContact O-N 3.18Å; R64-K67 PolarHBondContact O-N 2.86Å; I65-K67 PolarHBondContact O-N 2.67Å; K67-F70 PolarHBondContact O-N 3.44Å; K67-Q71 WeakPolarHBondContact O-CB 3.45Å; K67-Q71 VanDerWaalsContact O-CG 3.25Å; K67-Q71 WeakPolarHBondContact O-CG 3.46Å; K67-Q71 PolarHBondContact O-N 2.96Å
68	Q	75.5	Confident	75.3	Confident	123 Å²	123	96.6 Å²	96.6	58%	0.575	48%	0.476	S	S	*	.	H	α-helix	trans	-70.4	-39.2	-179.1	-159.9	151.7	2.2	0	0	112.1	R64 I65 K66 Q71 L72	R64-Q68 WeakPolarHBondContact O-CB 3.5Å; R64-Q68 PolarHBondContact O-N 2.97Å; I65-Q68 PolarHBondContact O-N 3.45Å; K66-Q68 VanDerWaalsContact C-N 3.29Å; K66-Q68 PolarHBondContact O-N 2.55Å; Q68-Q71 PolarHBondContact O-N 3.18Å; Q68-L72 VanDerWaalsContact O-CG 3.32Å; Q68-L72 WeakPolarHBondContact O-CG 3.23Å; Q68-L72 PolarHBondContact O-N 2.99Å
69	V	81.3	Confident	76.2	Confident	73 Å²	73	92.1 Å²	92.1	44%	0.442	46%	0.464	S	S	.	.	H	α-helix	trans	-61.4	-47.3	171.4	170.9	0	0	0	0	110.9	I65 K66 Q71 L72 I73	I65-V69 HydrophobicContact CG2-CG2 4.3Å; I65-V69 VanDerWaalsContact O-CG2 3.31Å; I65-V69 WeakPolarHBondContact O-CG2 3.48Å; I65-V69 PolarHBondContact O-N 3.36Å; K66-V69 PolarHBondContact O-N 3.12Å; V69-Q71 VanDerWaalsContact C-N 3.35Å; V69-Q71 PolarHBondContact O-N 3.43Å; V69-L72 WeakPolarHBondContact O-CB 3.33Å; V69-L72 PolarHBondContact O-N 3.5Å; V69-I73 HydrophobicContact CG1-CD1 3.97Å; V69-I73 WeakPolarHBondContact O-CG1 3.32Å; V69-I73 PolarHBondContact O-N 3.45Å
70	F	78	Confident	76.9	Confident	65 Å²	65	88.4 Å²	88.4	29%	0.285	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-39.2	177	-80.5	-66.1	0	0	0	112.7	K66 K67 L72 I73 R74 P529 D530	K66-F70 WeakPolarHBondContact O-CD2 3.39Å; K66-F70 PolarHBondContact O-N 2.71Å; K67-F70 PolarHBondContact O-N 3.44Å; F70-L72 VanDerWaalsContact C-N 3.31Å; F70-L72 PolarHBondContact O-N 2.93Å; F70-I73 HydrophobicContact CD1-CD1 4.45Å; F70-I73 PolarHBondContact O-N 2.94Å; F70-R74 WeakPolarHBondContact O-CG 3.45Å; F70-R74 PolarHBondContact O-N 3.38Å; F70-P529 HydrophobicContact CZ-CB 4.07Å; F70-D530 HydrophobicContact CD1-CB 3.98Å; F70-D530 HydrophobicContact CD2-CB 4.28Å; F70-D530 HydrophobicContact CE1-CB 4.23Å; F70-D530 HydrophobicContact CG-CB 4.03Å
71	Q	76.2	Confident	77.7	Confident	103 Å²	103	90 Å²	90	48%	0.481	45%	0.454	S	S	.	.	H	α-helix	trans	-61	-39.3	173.5	-78.5	176.6	-8.6	0	0	112.3	K67 Q68 V69 K75	K67-Q71 WeakPolarHBondContact O-CB 3.45Å; K67-Q71 VanDerWaalsContact O-CG 3.25Å; K67-Q71 WeakPolarHBondContact O-CG 3.46Å; K67-Q71 PolarHBondContact O-N 2.96Å; Q68-Q71 PolarHBondContact O-N 3.18Å; V69-Q71 VanDerWaalsContact C-N 3.35Å; V69-Q71 PolarHBondContact O-N 3.43Å; Q71-K75 WeakPolarHBondContact O-CG 3.48Å; Q71-K75 PolarHBondContact O-N 3.36Å
72	L	81.6	Confident	78.4	Confident	110 Å²	110	89.6 Å²	89.6	58%	0.576	45%	0.452	S	S	*	.	H	α-helix	trans	-66.6	-42.4	175	-70.7	167.8	0	0	0	111.4	Q68 V69 F70 R74 K75	Q68-L72 VanDerWaalsContact O-CG 3.32Å; Q68-L72 WeakPolarHBondContact O-CG 3.23Å; Q68-L72 PolarHBondContact O-N 2.99Å; V69-L72 WeakPolarHBondContact O-CB 3.33Å; V69-L72 PolarHBondContact O-N 3.5Å; F70-L72 VanDerWaalsContact C-N 3.31Å; F70-L72 PolarHBondContact O-N 2.93Å; L72-R74 PolarHBondContact O-N 3.33Å; L72-K75 PolarHBondContact O-N 3.42Å; L72-K75 VanDerWaalsContact O-N 3.15Å
73	I	81.6	Confident	78.9	Confident	68 Å²	68	87.2 Å²	87.2	35%	0.349	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-43.4	175.7	-67.5	167.2	0	0	0	111.1	V69 F70 K75 I76 V79	V69-I73 HydrophobicContact CG1-CD1 3.97Å; V69-I73 WeakPolarHBondContact O-CG1 3.32Å; V69-I73 PolarHBondContact O-N 3.45Å; F70-I73 HydrophobicContact CD1-CD1 4.45Å; F70-I73 PolarHBondContact O-N 2.94Å; I73-K75 PolarHBondContact O-N 2.79Å; I73-I76 WeakPolarHBondContact O-CB 3.28Å; I73-I76 WeakPolarHBondContact O-CG1 3.44Å; I73-I76 PolarHBondContact O-N 2.98Å; I73-I76 VanDerWaalsContact O-N 3.13Å; I73-V79 HydrophobicContact CG2-CG1 4Å
74	R	79	Confident	79.4	Confident	65 Å²	65	88.2 Å²	88.2	25%	0.245	43%	0.434	C	S	.	.	H	α-helix	trans	-63.8	-22.6	177.3	-76	-177	68.9	169.7	2.1	113.5	F70 L72 I76 G80 I83 E536	F70-R74 WeakPolarHBondContact O-CG 3.45Å; F70-R74 PolarHBondContact O-N 3.38Å; L72-R74 PolarHBondContact O-N 3.33Å; R74-I76 VanDerWaalsContact C-N 3.32Å; R74-G80 WeakPolarHBondContact O-CA 3.45Å; R74-I83 HydrophobicContact CG-CD1 4.29Å; R74-E536 IonicContact CZ-OE2 2.76Å; R74-E536 VanDerWaalsContact CZ-OE2 3.3Å; R74-E536 IonicContact NH1-OE2 3.19Å; R74-E536 PolarHBondContact NH1-OE2 3.09Å; R74-E536 IonicContact NH2-OE1 3.85Å; R74-E536 PolarHBondContact NH2-OE1 3.26Å; R74-E536 IonicContact NH2-OE2 3.46Å; R74-E536 PolarHBondContact NH2-OE2 2.87Å
75	K	80.8	Confident	80	Confident	167 Å²	167	93.7 Å²	93.7	73%	0.726	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-9.2	176.6	-74.1	179.7	178.1	-171.8	0	113.7	Q71 L72 I73 P77	Q71-K75 WeakPolarHBondContact O-CG 3.48Å; Q71-K75 PolarHBondContact O-N 3.36Å; L72-K75 PolarHBondContact O-N 3.42Å; L72-K75 VanDerWaalsContact O-N 3.15Å; I73-K75 PolarHBondContact O-N 2.79Å; K75-P77 WeakPolarHBondContact O-CD 3.4Å
76	I	88.5	Confident	80.2	Confident	86 Å²	86	94.6 Å²	94.6	44%	0.441	46%	0.461	S	S	.	.	S	Bend	trans	-69.6	118.6	174.6	-60.2	171.8	0	0	0	107.5	I73 R74 F78 V79 G80	I73-I76 WeakPolarHBondContact O-CB 3.28Å; I73-I76 WeakPolarHBondContact O-CG1 3.44Å; I73-I76 PolarHBondContact O-N 2.98Å; I73-I76 VanDerWaalsContact O-N 3.13Å; R74-I76 VanDerWaalsContact C-N 3.32Å; I76-F78 PolarHBondContact O-N 3.4Å; I76-V79 HydrophobicContact CB-CB 4.15Å; I76-V79 HydrophobicContact CB-CG2 4.19Å; I76-V79 HydrophobicContact CG2-CB 4.37Å; I76-V79 HydrophobicContact CG2-CG2 3.96Å; I76-V79 PolarHBondContact O-N 2.64Å; I76-G80 PolarHBondContact O-N 3.21Å
77	P	79.8	Confident	80.4	Confident	97 Å²	97	88.1 Å²	88.1	63%	0.63	43%	0.433	S	S	*	.	H	α-helix	trans	-50.6	-51.1	-166.8	-29.8	34.3	0	0	0	114.3	K75 V79 D81	K75-P77 WeakPolarHBondContact O-CD 3.4Å; P77-V79 PolarHBondContact O-N 2.93Å; P77-D81 WeakPolarHBondContact O-CB 3.43Å; P77-D81 PolarHBondContact O-N 2.86Å
78	F	83.6	Confident	80.9	Confident	167 Å²	167	87.1 Å²	87.1	73%	0.732	43%	0.433	S	S	*	.	H	α-helix	trans	-66.3	-36.7	-179.4	-175.9	-98.5	0	0	0	113.8	I76 N82	I76-F78 PolarHBondContact O-N 3.4Å; F78-N82 WeakPolarHBondContact O-CB 3.4Å; F78-N82 PolarHBondContact O-N 3.27Å
79	V	79.6	Confident	81.1	Confident	51 Å²	51	87 Å²	87	31%	0.309	43%	0.43	S	S	.	.	H	α-helix	trans	-75.8	-46.9	-178.8	-180	0	0	0	0	110.1	I73 I76 P77 N82 I83	I73-V79 HydrophobicContact CG2-CG1 4Å; I76-V79 HydrophobicContact CB-CB 4.15Å; I76-V79 HydrophobicContact CB-CG2 4.19Å; I76-V79 HydrophobicContact CG2-CB 4.37Å; I76-V79 HydrophobicContact CG2-CG2 3.96Å; I76-V79 PolarHBondContact O-N 2.64Å; P77-V79 PolarHBondContact O-N 2.93Å; V79-N82 PolarHBondContact O-N 3.42Å; V79-I83 HydrophobicContact CG1-CD1 3.77Å; V79-I83 HydrophobicContact CG1-CG1 4.49Å; V79-I83 WeakPolarHBondContact O-CB 3.46Å; V79-I83 VanDerWaalsContact O-CG1 3.23Å; V79-I83 WeakPolarHBondContact O-CG1 3.4Å; V79-I83 PolarHBondContact O-N 3.22Å
80	G	80.4	Confident	81	Confident	14 Å²	14	85.1 Å²	85.1	14%	0.144	42%	0.422	C	S	.	.	H	α-helix	trans	-58.6	-48.2	175.8	0	0	0	0	0	112.1	R74 I76 N82 I83 Q84	R74-G80 WeakPolarHBondContact O-CA 3.45Å; I76-G80 PolarHBondContact O-N 3.21Å; G80-N82 PolarHBondContact O-N 3.43Å; G80-I83 PolarHBondContact O-N 3.11Å; G80-Q84 WeakPolarHBondContact O-CB 3.44Å; G80-Q84 PolarHBondContact O-N 2.83Å
81	D	84.3	Confident	81	Confident	100 Å²	100	83.8 Å²	83.8	54%	0.535	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-41.4	179.7	-71.3	-11.3	0	0	0	112	P77 Q84 K85	P77-D81 WeakPolarHBondContact O-CB 3.43Å; P77-D81 PolarHBondContact O-N 2.86Å; D81-Q84 PolarHBondContact O-N 3.48Å; D81-K85 WeakPolarHBondContact O-CB 3.13Å; D81-K85 VanDerWaalsContact O-CG 3.27Å; D81-K85 WeakPolarHBondContact O-CG 3.31Å; D81-K85 PolarHBondContact O-N 2.9Å
82	N	83.3	Confident	81.2	Confident	84 Å²	84	83.6 Å²	83.6	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-68.9	-41.2	178.6	-167	39.7	0	0	0	111.9	F78 V79 G80 K85 Q86	F78-N82 WeakPolarHBondContact O-CB 3.4Å; F78-N82 PolarHBondContact O-N 3.27Å; V79-N82 PolarHBondContact O-N 3.42Å; G80-N82 PolarHBondContact O-N 3.43Å; N82-K85 PolarHBondContact O-N 2.85Å; N82-Q86 WeakPolarHBondContact O-CG 3.37Å; N82-Q86 PolarHBondContact O-N 3.49Å
83	I	79.3	Confident	81.1	Confident	47 Å²	47	82.8 Å²	82.8	24%	0.241	42%	0.416	C	S	.	.	H	α-helix	trans	-61.6	-45.6	174.3	-69.7	169.5	0	0	0	110.2	R74 V79 G80 K85 Q86 L87 L533	R74-I83 HydrophobicContact CG-CD1 4.29Å; V79-I83 HydrophobicContact CG1-CD1 3.77Å; V79-I83 HydrophobicContact CG1-CG1 4.49Å; V79-I83 WeakPolarHBondContact O-CB 3.46Å; V79-I83 VanDerWaalsContact O-CG1 3.23Å; V79-I83 WeakPolarHBondContact O-CG1 3.4Å; V79-I83 PolarHBondContact O-N 3.22Å; G80-I83 PolarHBondContact O-N 3.11Å; I83-K85 PolarHBondContact O-N 2.82Å; I83-Q86 PolarHBondContact O-N 3.43Å; I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 PolarHBondContact O-N 2.9Å; I83-L533 HydrophobicContact CG2-CD2 3.71Å
84	Q	80.9	Confident	80.9	Confident	72 Å²	72	81.2 Å²	81.2	34%	0.336	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-39.7	179.8	-168.1	63.4	46.9	0	0	111.9	G80 D81 L87 N88	G80-Q84 WeakPolarHBondContact O-CB 3.44Å; G80-Q84 PolarHBondContact O-N 2.83Å; D81-Q84 PolarHBondContact O-N 3.48Å; Q84-L87 PolarHBondContact O-N 3.48Å; Q84-N88 PolarHBondContact NE2-OD1 3.23Å; Q84-N88 WeakPolarHBondContact O-CB 3.49Å; Q84-N88 VanDerWaalsContact O-CG 3.25Å; Q84-N88 PolarHBondContact O-N 3.24Å; Q84-N88 PolarHBondContact O-OD1 3.27Å
85	K	84.1	Confident	80.8	Confident	145 Å²	145	79.6 Å²	79.6	63%	0.63	41%	0.407	S	S	*	.	H	α-helix	trans	-60.9	-45.2	174.1	-78.2	174.6	-177.2	177.7	0	112.1	D81 N82 I83 L87 N88 K89	D81-K85 WeakPolarHBondContact O-CB 3.13Å; D81-K85 VanDerWaalsContact O-CG 3.27Å; D81-K85 WeakPolarHBondContact O-CG 3.31Å; D81-K85 PolarHBondContact O-N 2.9Å; N82-K85 PolarHBondContact O-N 2.85Å; I83-K85 PolarHBondContact O-N 2.82Å; K85-L87 VanDerWaalsContact C-N 3.33Å; K85-N88 PolarHBondContact O-N 3.5Å; K85-K89 WeakPolarHBondContact O-CB 3.45Å; K85-K89 PolarHBondContact O-N 2.98Å
86	Q	80.3	Confident	80.7	Confident	113 Å²	113	75.9 Å²	75.9	53%	0.528	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-38.5	176.9	-69.3	-65.7	-22.4	0	0	111.8	N82 I83 K89 A90	N82-Q86 WeakPolarHBondContact O-CG 3.37Å; N82-Q86 PolarHBondContact O-N 3.49Å; I83-Q86 PolarHBondContact O-N 3.43Å; Q86-K89 PolarHBondContact O-N 3.27Å; Q86-A90 WeakPolarHBondContact O-CB 3.36Å; Q86-A90 PolarHBondContact O-N 2.85Å
87	L	79	Confident	79.9	Confident	8 Å²	8	75.9 Å²	75.9	4%	0.042	40%	0.4	C	S	.	.	H	α-helix	trans	-62.7	-50.3	175.4	178.5	63.4	0	0	0	111.4	I83 Q84 K85 K89 A90 L91 E536 I537	I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 PolarHBondContact O-N 2.9Å; Q84-L87 PolarHBondContact O-N 3.48Å; K85-L87 VanDerWaalsContact C-N 3.33Å; L87-K89 VanDerWaalsContact C-N 3.32Å; L87-K89 PolarHBondContact O-N 3.45Å; L87-A90 PolarHBondContact O-N 3.22Å; L87-L91 HydrophobicContact CD1-CD1 4.46Å; L87-L91 HydrophobicContact CG-CD1 4.2Å; L87-L91 WeakPolarHBondContact O-CG 3.32Å; L87-L91 PolarHBondContact O-N 3.4Å; L87-E536 HydrophobicContact CD2-CG 3.73Å; L87-E536 WeakPolarHBondContact CD2-OE1 3.43Å; L87-I537 HydrophobicContact CD1-CB 4.38Å; L87-I537 HydrophobicContact CD1-CD1 4.21Å; L87-I537 HydrophobicContact CD1-CG1 3.27Å
88	N	81	Confident	79.7	Confident	72 Å²	72	73.6 Å²	73.6	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-44	177.9	-69.6	-0	0	0	0	111	Q84 K85 A90 L91 D92	Q84-N88 PolarHBondContact NE2-OD1 3.23Å; Q84-N88 WeakPolarHBondContact O-CB 3.49Å; Q84-N88 VanDerWaalsContact O-CG 3.25Å; Q84-N88 PolarHBondContact O-N 3.24Å; Q84-N88 PolarHBondContact O-OD1 3.27Å; K85-N88 PolarHBondContact O-N 3.5Å; N88-A90 VanDerWaalsContact C-N 3.33Å; N88-A90 PolarHBondContact O-N 2.99Å; N88-L91 WeakPolarHBondContact O-CB 3.47Å; N88-L91 PolarHBondContact O-N 2.91Å; N88-L91 VanDerWaalsContact O-N 3.12Å; N88-D92 VanDerWaalsContact O-CG 3.29Å; N88-D92 PolarHBondContact O-N 3.12Å
89	K	81.5	Confident	79.2	Confident	120 Å²	120	67.4 Å²	67.4	52%	0.522	36%	0.359	S	S	.	.	H	α-helix	trans	-58.3	-45.4	174.9	-175.6	-178.5	177.4	-177.2	0	112	K85 Q86 L87 L91 D92 D93	K85-K89 WeakPolarHBondContact O-CB 3.45Å; K85-K89 PolarHBondContact O-N 2.98Å; Q86-K89 PolarHBondContact O-N 3.27Å; L87-K89 VanDerWaalsContact C-N 3.32Å; L87-K89 PolarHBondContact O-N 3.45Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 PolarHBondContact O-N 3.34Å; K89-D92 PolarHBondContact O-N 2.79Å; K89-D93 WeakPolarHBondContact O-CB 3.46Å; K89-D93 VanDerWaalsContact O-CG 3.27Å; K89-D93 PolarHBondContact O-N 2.94Å
90	A	78.1	Confident	79.1	Confident	34 Å²	34	68.5 Å²	68.5	28%	0.281	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-37.4	176.9	0	0	0	0	0	112	Q86 L87 N88 M94	Q86-A90 WeakPolarHBondContact O-CB 3.36Å; Q86-A90 PolarHBondContact O-N 2.85Å; L87-A90 PolarHBondContact O-N 3.22Å; N88-A90 VanDerWaalsContact C-N 3.33Å; N88-A90 PolarHBondContact O-N 2.99Å; A90-M94 WeakPolarHBondContact O-CB 3.48Å; A90-M94 WeakPolarHBondContact O-CE 3.38Å; A90-M94 VanDerWaalsContact O-CG 3.24Å; A90-M94 WeakPolarHBondContact O-CG 3.49Å; A90-M94 PolarHBondContact O-N 3.46Å
91	L	78.9	Confident	79.1	Confident	37 Å²	37	69.5 Å²	69.5	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-66.6	-42.7	174.9	-68.7	170.4	0	0	0	112.1	L87 N88 K89 M94 S95 G540	L87-L91 HydrophobicContact CD1-CD1 4.46Å; L87-L91 HydrophobicContact CG-CD1 4.2Å; L87-L91 WeakPolarHBondContact O-CG 3.32Å; L87-L91 PolarHBondContact O-N 3.4Å; N88-L91 WeakPolarHBondContact O-CB 3.47Å; N88-L91 PolarHBondContact O-N 2.91Å; N88-L91 VanDerWaalsContact O-N 3.12Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 PolarHBondContact O-N 3.34Å; L91-M94 HydrophobicContact CD2-CE 3.59Å; L91-M94 HydrophobicContact CG-CE 4.33Å; L91-M94 PolarHBondContact O-N 3.01Å; L91-S95 WeakPolarHBondContact O-CB 3.5Å; L91-S95 PolarHBondContact O-N 3.44Å; L91-G540 VanDerWaalsContact CD2-CA 3.49Å
92	D	80.4	Confident	78.9	Confident	98 Å²	98	69.1 Å²	69.1	52%	0.524	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-47.9	176.7	-68.2	-23.4	0	0	0	110.9	N88 K89 M94 S95 H96	N88-D92 VanDerWaalsContact O-CG 3.29Å; N88-D92 PolarHBondContact O-N 3.12Å; K89-D92 PolarHBondContact O-N 2.79Å; D92-M94 VanDerWaalsContact C-N 3.29Å; D92-M94 PolarHBondContact O-N 3.47Å; D92-S95 WeakPolarHBondContact O-CB 3.38Å; D92-S95 PolarHBondContact O-N 3.29Å; D92-H96 PolarHBondContact O-CD2 3.39Å; D92-H96 VanDerWaalsContact O-CD2 3.27Å; D92-H96 PolarHBondContact O-N 3.32Å
93	D	78.2	Confident	78.6	Confident	93 Å²	93	74.9 Å²	74.9	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-59.3	-41.5	176.3	-71	-20.2	0	0	0	110.9	K89 S97	K89-D93 WeakPolarHBondContact O-CB 3.46Å; K89-D93 VanDerWaalsContact O-CG 3.27Å; K89-D93 PolarHBondContact O-N 2.94Å; D93-S97 PolarHBondContact O-N 3.1Å
94	M	77	Confident	78.6	Confident	35 Å²	35	76.5 Å²	76.5	17%	0.172	41%	0.413	C	S	.	.	H	α-helix	trans	-65	-45.8	175	-78.6	-171.9	-58.6	0	0	112.1	A90 L91 D92 H96 S97 L98 I537 F541	A90-M94 WeakPolarHBondContact O-CB 3.48Å; A90-M94 WeakPolarHBondContact O-CE 3.38Å; A90-M94 VanDerWaalsContact O-CG 3.24Å; A90-M94 WeakPolarHBondContact O-CG 3.49Å; A90-M94 PolarHBondContact O-N 3.46Å; L91-M94 HydrophobicContact CD2-CE 3.59Å; L91-M94 HydrophobicContact CG-CE 4.33Å; L91-M94 PolarHBondContact O-N 3.01Å; D92-M94 VanDerWaalsContact C-N 3.29Å; D92-M94 PolarHBondContact O-N 3.47Å; M94-H96 VanDerWaalsContact C-N 3.29Å; M94-H96 PolarHBondContact O-N 3.4Å; M94-S97 WeakPolarHBondContact CA-OG 3.5Å; M94-S97 PolarHBondContact O-N 3.1Å; M94-S97 VanDerWaalsContact O-N 3.08Å; M94-S97 PolarHBondContact O-OG 3.31Å; M94-L98 WeakPolarHBondContact O-CB 3.33Å; M94-L98 WeakPolarHBondContact O-CG 3.26Å; M94-L98 PolarHBondContact O-N 2.83Å; M94-I537 HydrophobicContact CE-CG2 3.7Å; M94-I537 HydrophobicContact SD-CG2 4.15Å; M94-F541 HydrophobicContact CE-CB 4.41Å; M94-F541 HydrophobicContact SD-CB 4.18Å; M94-F541 HydrophobicContact SD-CD2 4.2Å
95	S	77.6	Confident	78.9	Confident	32 Å²	32	74.2 Å²	74.2	22%	0.224	40%	0.403	C	S	.	.	H	α-helix	trans	-56.9	-44.4	177.6	-174.6	0	0	0	0	111.3	L91 D92 L98 C99	L91-S95 WeakPolarHBondContact O-CB 3.5Å; L91-S95 PolarHBondContact O-N 3.44Å; D92-S95 WeakPolarHBondContact O-CB 3.38Å; D92-S95 PolarHBondContact O-N 3.29Å; S95-L98 PolarHBondContact O-N 3.31Å; S95-C99 PolarHBondContact O-N 2.72Å
96	H	78.1	Confident	79.1	Confident	89 Å²	89	71.6 Å²	71.6	41%	0.412	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-44.6	173.3	-83.5	-72.8	0	0	0	112.6	D92 M94 L98 C99 P551	D92-H96 PolarHBondContact O-CD2 3.39Å; D92-H96 VanDerWaalsContact O-CD2 3.27Å; D92-H96 PolarHBondContact O-N 3.32Å; M94-H96 VanDerWaalsContact C-N 3.29Å; M94-H96 PolarHBondContact O-N 3.4Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 3.07Å; H96-C99 PolarHBondContact O-N 3.19Å; H96-P551 WeakPolarHBondContact CE1-CB 3.35Å; H96-P551 WeakPolarHBondContact ND1-CB 3.36Å
97	S	73.4	Confident	79.6	Confident	86 Å²	86	69.9 Å²	69.9	60%	0.601	39%	0.392	S	S	*	.	H	α-helix	trans	-69	-27.5	179.6	74.3	0	0	0	0	114.1	D93 M94	D93-S97 PolarHBondContact O-N 3.1Å; M94-S97 WeakPolarHBondContact CA-OG 3.5Å; M94-S97 PolarHBondContact O-N 3.1Å; M94-S97 VanDerWaalsContact O-N 3.08Å; M94-S97 PolarHBondContact O-OG 3.31Å
98	L	75.4	Confident	80.2	Confident	48 Å²	48	73.8 Å²	73.8	25%	0.251	42%	0.416	S	S	.	.	H	α-helix	trans	-87.5	-16.1	179.7	-74.7	173.5	0	0	0	113	M94 S95 H96 T100 F541 C544 L545	M94-L98 WeakPolarHBondContact O-CB 3.33Å; M94-L98 WeakPolarHBondContact O-CG 3.26Å; M94-L98 PolarHBondContact O-N 2.83Å; S95-L98 PolarHBondContact O-N 3.31Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 3.07Å; L98-T100 PolarHBondContact O-N 2.85Å; L98-F541 HydrophobicContact CD1-CD2 3.73Å; L98-F541 HydrophobicContact CD1-CE2 3.73Å; L98-F541 HydrophobicContact CD2-CE2 3.83Å; L98-F541 HydrophobicContact CD2-CZ 4.39Å; L98-F541 HydrophobicContact CG-CE2 4.24Å; L98-C544 HydrophobicContact CD1-CB 3.65Å; L98-L545 HydrophobicContact CD1-CD2 4.14Å; L98-L545 HydrophobicContact CD2-CD2 4.04Å
99	C	73.4	Confident	80.8	Confident	38 Å²	38	76.9 Å²	76.9	26%	0.257	43%	0.429	S	S	.	.			trans	-69.5	95	173.2	-171.6	0	0	0	0	109.3	S95 H96 L101 P551	S95-C99 PolarHBondContact O-N 2.72Å; H96-C99 PolarHBondContact O-N 3.19Å; C99-L101 VanDerWaalsContact C-N 3.3Å; C99-P551 HydrophobicContact CB-CG 4.26Å
100	T	76.3	Confident	81.5	Confident	73 Å²	73	79 Å²	79	45%	0.448	44%	0.44	S	S	.	.			trans	-87.8	3.6	179.2	61.2	0	0	0	0	112.9	L98 K102 L131	L98-T100 PolarHBondContact O-N 2.85Å; T100-K102 PolarHBondContact O-N 3.47Å; T100-L131 VanDerWaalsContact O-CD2 3.25Å; T100-L131 WeakPolarHBondContact O-CD2 3.23Å
101	L	80.3	Confident	82.4	Confident	35 Å²	35	85.2 Å²	85.2	18%	0.183	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-64.6	130.2	-179	-69.6	-176.8	0	0	0	110.3	C99 M105 Y107 V550	C99-L101 VanDerWaalsContact C-N 3.3Å; L101-M105 HydrophobicContact CB-CB 4.35Å; L101-M105 HydrophobicContact CD2-CB 4.01Å; L101-Y107 HydrophobicContact CD1-CD2 3.62Å; L101-Y107 HydrophobicContact CD1-CE1 4.35Å; L101-Y107 HydrophobicContact CD1-CE2 3.35Å; L101-Y107 HydrophobicContact CD1-CG 4.24Å; L101-Y107 HydrophobicContact CD2-CE1 4.37Å; L101-Y107 HydrophobicContact CG-CE1 4.47Å; L101-Y107 HydrophobicContact CG-CE2 4.06Å; L101-V550 HydrophobicContact CD1-CG2 4.18Å
102	K	80.9	Confident	83.2	Confident	92 Å²	92	86.8 Å²	86.8	40%	0.4	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-77.9	160.3	170.5	-65.3	-178.8	-178.5	175.3	0	110.5	T100 G104 M105 T130 L131	T100-K102 PolarHBondContact O-N 3.47Å; K102-G104 PolarHBondContact O-N 3.36Å; K102-M105 HydrophobicContact CB-CG 4.24Å; K102-M105 HydrophobicContact CB-SD 3.92Å; K102-M105 HydrophobicContact CG-SD 4.44Å; K102-M105 WeakPolarHBondContact O-CB 3.05Å; K102-M105 PolarHBondContact O-N 3.05Å; K102-T130 VanDerWaalsContact CE-O 3.25Å; K102-T130 WeakPolarHBondContact CE-O 3.28Å; K102-T130 PolarHBondContact NZ-O 2.89Å; K102-T130 PolarHBondContact NZ-OG1 3.24Å; K102-L131 HydrophobicContact CD-CD2 4.37Å; K102-L131 HydrophobicContact CG-CD2 4Å
103	E	77.4	Confident	84	Confident	205 Å²	205	89.3 Å²	89.3	96%	0.958	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	129.4	175.9	-168.1	172.1	-170.8	0	0	110.9
104	G	78.9	Confident	84.8	Confident	81 Å²	81	93.3 Å²	93.3	84%	0.835	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-10.9	-176	0	0	0	0	0	115.6	K102	K102-G104 PolarHBondContact O-N 3.36Å
105	M	86.1	Confident	85.8	Confident	25 Å²	25	95.1 Å²	95.1	12%	0.123	54%	0.54	C	S	.	.			trans	-84.9	149.8	174.9	-58.6	-171.8	67.2	0	0	111.8	L101 K102 E127 Y128 L131	L101-M105 HydrophobicContact CB-CB 4.35Å; L101-M105 HydrophobicContact CD2-CB 4.01Å; K102-M105 HydrophobicContact CB-CG 4.24Å; K102-M105 HydrophobicContact CB-SD 3.92Å; K102-M105 HydrophobicContact CG-SD 4.44Å; K102-M105 WeakPolarHBondContact O-CB 3.05Å; K102-M105 PolarHBondContact O-N 3.05Å; M105-E127 HydrophobicContact CE-CG 3.7Å; M105-E127 WeakPolarHBondContact CG-OE1 3.38Å; M105-E127 HydrophobicContact SD-CG 4.26Å; M105-Y128 HydrophobicContact CE-CD1 3.8Å; M105-Y128 HydrophobicContact CE-CE1 4.05Å; M105-L131 HydrophobicContact CE-CD1 4.06Å; M105-L131 HydrophobicContact CE-CD2 3.96Å; M105-L131 HydrophobicContact CE-CG 4.18Å; M105-L131 HydrophobicContact SD-CD2 3.46Å; M105-L131 WeakPolarHBondContact SD-CD2 3.47Å; M105-L131 HydrophobicContact SD-CG 4.3Å
106	S	88.1	Confident	86.7	Confident	89 Å²	89	97.1 Å²	97.1	62%	0.622	55%	0.548	S	S	*	.			trans	-142.8	156.7	176.3	64.6	0	0	0	0	112.2
107	Y	91.2	Very high	87.7	Confident	77 Å²	77	96.3 Å²	96.3	30%	0.302	55%	0.549	S	S	.	.			trans	-74.6	133.7	174.6	-70	-71.2	0	0	0	111.2	L101 Q109 T548 V550	L101-Y107 HydrophobicContact CD1-CD2 3.62Å; L101-Y107 HydrophobicContact CD1-CE1 4.35Å; L101-Y107 HydrophobicContact CD1-CE2 3.35Å; L101-Y107 HydrophobicContact CD1-CG 4.24Å; L101-Y107 HydrophobicContact CD2-CE1 4.37Å; L101-Y107 HydrophobicContact CG-CE1 4.47Å; L101-Y107 HydrophobicContact CG-CE2 4.06Å; Y107-Q109 PolarHBondContact O-N 3.35Å; Y107-T548 HydrophobicContact CD1-CG2 4.11Å; Y107-T548 VanDerWaalsContact CD2-C 3.48Å; Y107-T548 VanDerWaalsContact CD2-O 3.29Å; Y107-T548 WeakPolarHBondContact CD2-O 3.4Å; Y107-T548 HydrophobicContact CG-CG2 4.04Å; Y107-V550 HydrophobicContact CD2-CG2 4.3Å
108	T	91.8	Very high	88.8	Confident	90 Å²	90	100.1 Å²	100.1	55%	0.552	56%	0.557	S	S	*	*			trans	-81.7	107.5	168.3	-59	0	0	0	0	108.8	Q110	T108-Q110 VanDerWaalsContact CG2-O 3.26Å; T108-Q110 WeakPolarHBondContact CG2-O 3.31Å
109	Q	94.7	Very high	89.9	Confident	138 Å²	138	101.9 Å²	101.9	65%	0.645	57%	0.574	S	S	*	*			trans	-97.2	-14.5	-176	-65.1	178	-11.5	0	0	113.6	Y107 T548	Y107-Q109 PolarHBondContact O-N 3.35Å; Q109-T548 PolarHBondContact NE2-O 3.12Å
110	Q	95.8	Very high	91	Very high	164 Å²	164	104.2 Å²	104.2	77%	0.766	58%	0.581	S	S	*	*	S	Bend	trans	-134.1	152.2	-179.4	-63.4	-176.5	1.5	0	0	110.1	T108	T108-Q110 VanDerWaalsContact CG2-O 3.26Å; T108-Q110 WeakPolarHBondContact CG2-O 3.31Å
111	L	96.1	Very high	91.9	Very high	164 Å²	164	103.8 Å²	103.8	86%	0.859	58%	0.578	S	S	*	*			trans	-62.5	140.7	170.4	-72.3	172.7	0	0	0	109.9
112	P	95.6	Very high	92.8	Very high	70 Å²	70	106.9 Å²	106.9	46%	0.455	59%	0.593	S	S	.	*			trans	-67.1	139	176.5	30.9	-35.7	0	0	0	109.7	K114	P112-K114 WeakPolarHBondContact CB-O 3.44Å; P112-K114 PolarHBondContact O-N 3.47Å; P112-K114 VanDerWaalsContact O-N 3.11Å
113	T	97	Very high	93.4	Very high	152 Å²	152	108.9 Å²	108.9	93%	0.933	60%	0.604	S	S	*	*	S	Bend	trans	-57.9	-28.8	-179.7	-43.4	0	0	0	0	112.6
114	K	96.6	Very high	94.2	Very high	177 Å²	177	102.9 Å²	102.9	77%	0.77	58%	0.575	S	S	*	*	S	Bend	trans	-126	139.4	171.7	-65.1	-177.1	-179.6	179.8	0	108.7	P112 L116	P112-K114 WeakPolarHBondContact CB-O 3.44Å; P112-K114 PolarHBondContact O-N 3.47Å; P112-K114 VanDerWaalsContact O-N 3.11Å; K114-L116 PolarHBondContact O-N 3.2Å
115	G	97.1	Very high	94.9	Very high	72 Å²	72	102.7 Å²	102.7	74%	0.742	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-57.7	136	176	0	0	0	0	0	111.4
116	L	97.3	Very high	95.3	Very high	74 Å²	74	107.9 Å²	107.9	39%	0.387	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-67.8	148.2	172.8	-61.1	-178.9	0	0	0	110	K114 Q120 V121 K124	K114-L116 PolarHBondContact O-N 3.2Å; L116-Q120 HydrophobicContact CB-CB 4.07Å; L116-V121 HydrophobicContact CB-CG2 3.76Å; L116-V121 HydrophobicContact CD1-CG2 4.42Å; L116-K124 HydrophobicContact CD1-CD 3.88Å
117	T	98	Very high	95.4	Very high	72 Å²	72	107 Å²	107	44%	0.442	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-67.3	159.8	171.3	69.4	0	0	0	0	110.5	S119 Q120 V121	T117-S119 PolarHBondContact O-N 3.43Å; T117-S119 PolarHBondContact OG1-OG 2.9Å; T117-Q120 PolarHBondContact O-N 2.86Å; T117-Q120 VanDerWaalsContact O-N 3.14Å; T117-Q120 VanDerWaalsContact OG1-CG 3.28Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.47Å; T117-Q120 PolarHBondContact OG1-N 3.34Å; T117-Q120 PolarHBondContact OG1-OE1 3.23Å; T117-V121 WeakPolarHBondContact O-CG2 3.42Å; T117-V121 PolarHBondContact O-N 2.92Å
118	Q	97.2	Very high	95.4	Very high	166 Å²	166	107.9 Å²	107.9	78%	0.776	57%	0.565	S	S	*	*	H	α-helix	trans	-55.6	-40.6	176.6	-173.2	179.2	6.6	0	0	112	V121 M122	Q118-V121 PolarHBondContact O-N 3.12Å; Q118-M122 HydrophobicContact CG-CG 4.5Å; Q118-M122 VanDerWaalsContact O-CG 3.25Å; Q118-M122 WeakPolarHBondContact O-CG 3.42Å; Q118-M122 PolarHBondContact O-N 3.1Å
119	S	97.8	Very high	95.3	Very high	86 Å²	86	109.2 Å²	109.2	60%	0.601	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-43.5	177.7	54.4	0	0	0	0	112.4	T117 V121 M122 E123	T117-S119 PolarHBondContact O-N 3.43Å; T117-S119 PolarHBondContact OG1-OG 2.9Å; S119-V121 PolarHBondContact O-N 3.25Å; S119-M122 PolarHBondContact O-N 3.13Å; S119-E123 WeakPolarHBondContact O-CB 3.33Å; S119-E123 PolarHBondContact O-N 3.03Å
120	Q	96.8	Very high	95.1	Very high	86 Å²	86	105.9 Å²	105.9	40%	0.402	55%	0.554	S	S	.	*	H	α-helix	trans	-63.6	-40.6	177.2	-72.6	172.5	-33.3	0	0	112	L116 T117 E123 K124	L116-Q120 HydrophobicContact CB-CB 4.07Å; T117-Q120 PolarHBondContact O-N 2.86Å; T117-Q120 VanDerWaalsContact O-N 3.14Å; T117-Q120 VanDerWaalsContact OG1-CG 3.28Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.47Å; T117-Q120 PolarHBondContact OG1-N 3.34Å; T117-Q120 PolarHBondContact OG1-OE1 3.23Å; Q120-E123 PolarHBondContact O-N 3.45Å; Q120-K124 PolarHBondContact O-N 2.9Å; Q120-K124 VanDerWaalsContact O-N 3.11Å
121	V	96.6	Very high	94.7	Very high	65 Å²	65	99.6 Å²	99.6	39%	0.394	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-46.7	174.2	175.4	0	0	0	0	110.3	L116 T117 Q118 S119 E123 K124 I125	L116-V121 HydrophobicContact CB-CG2 3.76Å; L116-V121 HydrophobicContact CD1-CG2 4.42Å; T117-V121 WeakPolarHBondContact O-CG2 3.42Å; T117-V121 PolarHBondContact O-N 2.92Å; Q118-V121 PolarHBondContact O-N 3.12Å; S119-V121 PolarHBondContact O-N 3.25Å; V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 3.26Å; V121-K124 PolarHBondContact O-N 3.47Å; V121-I125 HydrophobicContact CG1-CG1 4.47Å; V121-I125 WeakPolarHBondContact O-CG1 3.29Å; V121-I125 PolarHBondContact O-N 2.83Å
122	M	97.1	Very high	94.1	Very high	99 Å²	99	97 Å²	97	49%	0.488	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-34.3	179.8	-69.3	-57.2	-63.1	0	0	112.8	Q118 S119 I125 K126	Q118-M122 HydrophobicContact CG-CG 4.5Å; Q118-M122 VanDerWaalsContact O-CG 3.25Å; Q118-M122 WeakPolarHBondContact O-CG 3.42Å; Q118-M122 PolarHBondContact O-N 3.1Å; S119-M122 PolarHBondContact O-N 3.13Å; M122-I125 PolarHBondContact O-N 3.26Å; M122-K126 WeakPolarHBondContact O-CG 3.3Å; M122-K126 PolarHBondContact O-N 3.46Å
123	E	95.4	Very high	93.5	Very high	134 Å²	134	101.3 Å²	101.3	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-63.9	-45.5	173.3	-173.2	172.6	-162.2	0	0	111.6	S119 Q120 V121 I125 K126 E127	S119-E123 WeakPolarHBondContact O-CB 3.33Å; S119-E123 PolarHBondContact O-N 3.03Å; Q120-E123 PolarHBondContact O-N 3.45Å; V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 3.26Å; E123-I125 VanDerWaalsContact C-N 3.35Å; E123-I125 PolarHBondContact O-N 2.95Å; E123-K126 WeakPolarHBondContact O-CB 3.48Å; E123-K126 PolarHBondContact O-N 3.03Å; E123-E127 PolarHBondContact O-N 3.2Å
124	K	93.6	Very high	92.8	Very high	80 Å²	80	97.1 Å²	97.1	35%	0.348	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-40.4	173.6	-74.3	-171.9	168.8	-66	0	113	L116 Q120 V121 K126 E127 Y128	L116-K124 HydrophobicContact CD1-CD 3.88Å; Q120-K124 PolarHBondContact O-N 2.9Å; Q120-K124 VanDerWaalsContact O-N 3.11Å; V121-K124 PolarHBondContact O-N 3.47Å; K124-K126 VanDerWaalsContact C-N 3.32Å; K124-K126 PolarHBondContact O-N 2.71Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 PolarHBondContact O-N 3.41Å; K124-Y128 PolarHBondContact O-N 3.4Å
125	I	93.9	Very high	92.2	Very high	76 Å²	76	93.6 Å²	93.6	39%	0.39	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-40.8	175.7	-65.9	-61.1	0	0	0	111	V121 M122 E123 E127 Y128 Q129	V121-I125 HydrophobicContact CG1-CG1 4.47Å; V121-I125 WeakPolarHBondContact O-CG1 3.29Å; V121-I125 PolarHBondContact O-N 2.83Å; M122-I125 PolarHBondContact O-N 3.26Å; E123-I125 VanDerWaalsContact C-N 3.35Å; E123-I125 PolarHBondContact O-N 2.95Å; I125-E127 VanDerWaalsContact C-N 3.34Å; I125-E127 PolarHBondContact O-N 3.21Å; I125-Y128 HydrophobicContact CD1-CD2 4.46Å; I125-Y128 PolarHBondContact O-N 3.02Å; I125-Q129 WeakPolarHBondContact O-CG 3.4Å; I125-Q129 PolarHBondContact O-N 3.09Å
126	K	92.9	Very high	91.9	Very high	135 Å²	135	95 Å²	95	59%	0.587	47%	0.47	S	S	*	.	H	α-helix	trans	-61.9	-41.9	174.4	-71.8	172.6	-177.7	179.8	0	111.6	M122 E123 K124 Q129 T130	M122-K126 WeakPolarHBondContact O-CG 3.3Å; M122-K126 PolarHBondContact O-N 3.46Å; E123-K126 WeakPolarHBondContact O-CB 3.48Å; E123-K126 PolarHBondContact O-N 3.03Å; K124-K126 VanDerWaalsContact C-N 3.32Å; K124-K126 PolarHBondContact O-N 2.71Å; K126-Q129 WeakPolarHBondContact O-CB 3.24Å; K126-Q129 PolarHBondContact O-N 3.14Å; K126-T130 WeakPolarHBondContact O-CG2 3.46Å; K126-T130 PolarHBondContact O-N 3.09Å
127	E	91.7	Very high	91.6	Very high	71 Å²	71	95.6 Å²	95.6	33%	0.332	47%	0.474	S	S	.	.	H	α-helix	trans	-57.7	-48.2	174.9	-168	-171.3	175.2	0	0	111.2	M105 E123 K124 I125 Q129 T130	M105-E127 HydrophobicContact CE-CG 3.7Å; M105-E127 WeakPolarHBondContact CG-OE1 3.38Å; M105-E127 HydrophobicContact SD-CG 4.26Å; E123-E127 PolarHBondContact O-N 3.2Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 PolarHBondContact O-N 3.41Å; I125-E127 VanDerWaalsContact C-N 3.34Å; I125-E127 PolarHBondContact O-N 3.21Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 2.92Å; E127-T130 WeakPolarHBondContact O-CB 3.37Å; E127-T130 WeakPolarHBondContact O-CG2 3.45Å; E127-T130 PolarHBondContact O-N 2.97Å; E127-T130 PolarHBondContact O-OG1 3.06Å
128	Y	90.8	Very high	91.3	Very high	94 Å²	94	97.1 Å²	97.1	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-35.2	178.4	-64.6	-11.3	0	0	0	113.1	M105 K124 I125 T130 L131	M105-Y128 HydrophobicContact CE-CD1 3.8Å; M105-Y128 HydrophobicContact CE-CE1 4.05Å; K124-Y128 PolarHBondContact O-N 3.4Å; I125-Y128 HydrophobicContact CD1-CD2 4.46Å; I125-Y128 PolarHBondContact O-N 3.02Å; Y128-T130 PolarHBondContact O-N 3.06Å; Y128-L131 VanDerWaalsContact O-CB 3.27Å; Y128-L131 WeakPolarHBondContact O-CB 3.43Å; Y128-L131 WeakPolarHBondContact O-CG 3.28Å; Y128-L131 PolarHBondContact O-N 3.17Å
129	Q	89.6	Confident	91.2	Very high	118 Å²	118	89.2 Å²	89.2	55%	0.551	44%	0.437	S	S	*	.	H	α-helix	trans	-61	-26.5	174	-74.9	175	-28.8	0	0	112.3	I125 K126 E127 L131 N132	I125-Q129 WeakPolarHBondContact O-CG 3.4Å; I125-Q129 PolarHBondContact O-N 3.09Å; K126-Q129 WeakPolarHBondContact O-CB 3.24Å; K126-Q129 PolarHBondContact O-N 3.14Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 2.92Å; Q129-L131 PolarHBondContact O-N 3.03Å; Q129-N132 PolarHBondContact O-N 3.23Å; Q129-N132 PolarHBondContact O-ND2 2.71Å
130	T	89.4	Confident	91	Very high	68 Å²	68	85.4 Å²	85.4	42%	0.417	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17	176	83.1	0	0	0	0	113.4	K102 K126 E127 Y128 N132	K102-T130 VanDerWaalsContact CE-O 3.25Å; K102-T130 WeakPolarHBondContact CE-O 3.28Å; K102-T130 PolarHBondContact NZ-O 2.89Å; K102-T130 PolarHBondContact NZ-OG1 3.24Å; K126-T130 WeakPolarHBondContact O-CG2 3.46Å; K126-T130 PolarHBondContact O-N 3.09Å; E127-T130 WeakPolarHBondContact O-CB 3.37Å; E127-T130 WeakPolarHBondContact O-CG2 3.45Å; E127-T130 PolarHBondContact O-N 2.97Å; E127-T130 PolarHBondContact O-OG1 3.06Å; Y128-T130 PolarHBondContact O-N 3.06Å; T130-N132 PolarHBondContact O-N 3Å
131	L	87.8	Confident	91	Very high	33 Å²	33	82.1 Å²	82.1	17%	0.173	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.1	176.6	-59.1	-177.8	0	0	0	112.7	T100 K102 M105 Y128 Q129 E133	T100-L131 VanDerWaalsContact O-CD2 3.25Å; T100-L131 WeakPolarHBondContact O-CD2 3.23Å; K102-L131 HydrophobicContact CD-CD2 4.37Å; K102-L131 HydrophobicContact CG-CD2 4Å; M105-L131 HydrophobicContact CE-CD1 4.06Å; M105-L131 HydrophobicContact CE-CD2 3.96Å; M105-L131 HydrophobicContact CE-CG 4.18Å; M105-L131 HydrophobicContact SD-CD2 3.46Å; M105-L131 WeakPolarHBondContact SD-CD2 3.47Å; M105-L131 HydrophobicContact SD-CG 4.3Å; Y128-L131 VanDerWaalsContact O-CB 3.27Å; Y128-L131 WeakPolarHBondContact O-CB 3.43Å; Y128-L131 WeakPolarHBondContact O-CG 3.28Å; Y128-L131 PolarHBondContact O-N 3.17Å; Q129-L131 PolarHBondContact O-N 3.03Å; L131-E133 PolarHBondContact O-N 2.93Å; L131-E133 VanDerWaalsContact O-N 3.08Å
132	N	85	Confident	91.1	Very high	110 Å²	110	79.3 Å²	79.3	59%	0.588	38%	0.38	S	S	*	.			trans	-75.6	96.7	176.1	-62.2	-42.9	0	0	0	110.3	Q129 T130	Q129-N132 PolarHBondContact O-N 3.23Å; Q129-N132 PolarHBondContact O-ND2 2.71Å; T130-N132 PolarHBondContact O-N 3Å
133	E	81.1	Confident	91.1	Very high	159 Å²	159	74.9 Å²	74.9	74%	0.743	36%	0.359	S	S	*	.			trans	-78.8	-29.2	177.9	-60.3	-173.1	159.9	0	0	112.7	L131 Q135	L131-E133 PolarHBondContact O-N 2.93Å; L131-E133 VanDerWaalsContact O-N 3.08Å; E133-Q135 PolarHBondContact O-N 3.43Å
134	V	82.8	Confident	91	Very high	65 Å²	65	71.1 Å²	71.1	39%	0.394	35%	0.351	S	S	.	.	S	Bend	trans	-83.4	116.9	-176.3	-175.2	0	0	0	0	110.7	W136 V141 N469	V134-W136 VanDerWaalsContact C-N 3.32Å; V134-W136 PolarHBondContact O-N 3.05Å; V134-V141 HydrophobicContact CG1-CG2 3.33Å; V134-N469 HydrophobicContact CG1-CB 4.23Å
135	Q	84.6	Confident	91.2	Very high	103 Å²	103	69.2 Å²	69.2	48%	0.481	35%	0.346	S	S	.	.			trans	-79	75.4	179.8	-65.7	174.7	-10.9	0	0	111.4	E133 D137 K138	E133-Q135 PolarHBondContact O-N 3.43Å; Q135-D137 VanDerWaalsContact C-N 3.26Å; Q135-D137 PolarHBondContact O-N 2.99Å; Q135-K138 HydrophobicContact CB-CB 4.43Å; Q135-K138 HydrophobicContact CB-CD 4.08Å; Q135-K138 HydrophobicContact CB-CG 4.14Å; Q135-K138 PolarHBondContact O-N 3.14Å
136	W	91.4	Very high	91.3	Very high	101 Å²	101	66.5 Å²	66.5	38%	0.383	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-63.7	-31.8	-179.6	60.8	-95.7	0	0	0	112.8	V134 K138 G139 V141 V145 L486	V134-W136 VanDerWaalsContact C-N 3.32Å; V134-W136 PolarHBondContact O-N 3.05Å; W136-K138 PolarHBondContact O-N 2.86Å; W136-G139 PolarHBondContact O-N 2.99Å; W136-V141 HydrophobicContact CB-CB 4.28Å; W136-V141 HydrophobicContact CB-CG2 3.82Å; W136-V145 HydrophobicContact CB-CG2 4.39Å; W136-V145 HydrophobicContact CD2-CB 4.48Å; W136-V145 HydrophobicContact CD2-CG2 3.89Å; W136-V145 HydrophobicContact CE3-CB 3.93Å; W136-V145 HydrophobicContact CE3-CG1 3.73Å; W136-V145 HydrophobicContact CE3-CG2 3.83Å; W136-V145 HydrophobicContact CG-CG2 4.15Å; W136-V145 HydrophobicContact CZ3-CB 4.43Å; W136-V145 HydrophobicContact CZ3-CG1 3.73Å; W136-V145 HydrophobicContact CZ3-CG2 4.49Å; W136-L486 HydrophobicContact CE3-CD1 3.9Å; W136-L486 HydrophobicContact CZ3-CD1 4.34Å; W136-L486 WeakPolarHBondContact O-CD1 3.43Å
137	D	90.6	Very high	91.3	Very high	87 Å²	87	62.6 Å²	62.6	47%	0.465	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.9	178.6	63.4	-52.6	0	0	0	112.9	Q135 G139	Q135-D137 VanDerWaalsContact C-N 3.26Å; Q135-D137 PolarHBondContact O-N 2.99Å; D137-G139 VanDerWaalsContact C-N 3.26Å; D137-G139 PolarHBondContact O-N 3.49Å
138	K	91.9	Very high	90.9	Very high	104 Å²	104	60.7 Å²	60.7	45%	0.452	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-81.7	2.1	175.1	-62.1	-170.2	-175.6	174.6	0	114.3	Q135 W136 C140	Q135-K138 HydrophobicContact CB-CB 4.43Å; Q135-K138 HydrophobicContact CB-CD 4.08Å; Q135-K138 HydrophobicContact CB-CG 4.14Å; Q135-K138 PolarHBondContact O-N 3.14Å; W136-K138 PolarHBondContact O-N 2.86Å; K138-C140 VanDerWaalsContact C-N 3.33Å; K138-C140 PolarHBondContact O-N 2.85Å
139	G	93.8	Very high	90.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	24.2	178.7	0	0	0	0	0	114.1	W136 D137 W468 H487 V492	W136-G139 PolarHBondContact O-N 2.99Å; D137-G139 VanDerWaalsContact C-N 3.26Å; D137-G139 PolarHBondContact O-N 3.49Å; G139-W468 VanDerWaalsContact O-CZ3 3.3Å; G139-W468 WeakPolarHBondContact O-CZ3 3.44Å; G139-H487 PolarHBondContact O-CD2 3.1Å; G139-H487 VanDerWaalsContact O-CD2 3.27Å; G139-H487 PolarHBondContact O-NE2 3.25Å; G139-V492 WeakPolarHBondContact O-CG1 3.16Å
140	C	94.8	Very high	90.9	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.041	31%	0.312	C	S	.	.			trans	-89.4	-0.1	179.4	-61.7	0	0	0	0	113.8	K138 G467 W468 N469	K138-C140 VanDerWaalsContact C-N 3.33Å; K138-C140 PolarHBondContact O-N 2.85Å; C140-G467 VanDerWaalsContact CB-O 3.28Å; C140-G467 WeakPolarHBondContact CB-O 3.14Å; C140-W468 HydrophobicContact CB-CD2 4.5Å; C140-W468 HydrophobicContact CB-CE3 4.31Å; C140-W468 CarbonylContact O-C 3.51Å; C140-W468 WeakPolarHBondContact O-CA 3.33Å; C140-N469 PolarHBondContact O-N 3.27Å
141	V	96.8	Very high	91.2	Very high	17 Å²	17	60.3 Å²	60.3	10%	0.103	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-115.2	121.3	-171.3	-178.9	0	0	0	0	110.7	V134 W136 G143 A144 N469 H487	V134-V141 HydrophobicContact CG1-CG2 3.33Å; W136-V141 HydrophobicContact CB-CB 4.28Å; W136-V141 HydrophobicContact CB-CG2 3.82Å; V141-G143 PolarHBondContact O-N 2.88Å; V141-A144 HydrophobicContact CG1-CB 3.63Å; V141-N469 HydrophobicContact CB-CB 4.49Å; V141-N469 HydrophobicContact CG1-CB 4.33Å; V141-N469 HydrophobicContact CG2-CB 4.08Å; V141-H487 PolarHBondContact O-CE1 3.47Å; V141-H487 PolarHBondContact O-NE2 3.36Å
142	S	98	Very high	91.5	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.042	31%	0.309	C	S	.	.	S	Bend	trans	-65.3	117	176.6	173.8	0	0	0	0	111.6	A144 N469 N471 H480 C482	S142-A144 PolarHBondContact O-N 3.3Å; S142-N469 WeakPolarHBondContact CB-O 3.23Å; S142-N469 PolarHBondContact N-O 3.14Å; S142-N471 VanDerWaalsContact CB-ND2 3.26Å; S142-N471 WeakPolarHBondContact CB-ND2 3.17Å; S142-N471 PolarHBondContact O-ND2 2.84Å; S142-N471 PolarHBondContact OG-ND2 3.28Å; S142-H480 PolarHBondContact OG-O 3.37Å; S142-C482 PolarHBondContact OG-N 2.92Å
143	G	96.6	Very high	92.1	Very high	5 Å²	5	56.9 Å²	56.9	5%	0.052	30%	0.3	C	S	.	.	S	Bend	trans	65.6	-123.2	-177.1	0	0	0	0	0	110.9	V141 V145 C482	V141-G143 PolarHBondContact O-N 2.88Å; G143-V145 PolarHBondContact O-N 3.49Å; G143-C482 PolarHBondContact N-O 3.26Å
144	A	94.8	Very high	92.9	Very high	55 Å²	55	55.3 Å²	55.3	46%	0.455	29%	0.291	S	S	.	.	S	Bend	trans	53.8	-67.2	-179.4	0	0	0	0	0	115.8	V141 S142 K355	V141-A144 HydrophobicContact CG1-CB 3.63Å; S142-A144 PolarHBondContact O-N 3.3Å; A144-K355 VanDerWaalsContact O-CE 3.3Å; A144-K355 WeakPolarHBondContact O-CE 3.42Å; A144-K355 PolarHBondContact O-NZ 3.34Å
145	V	96.2	Very high	93.6	Very high	40 Å²	40	55 Å²	55	24%	0.242	29%	0.287	C	S	.	.			trans	-113.1	122	178.4	-174	0	0	0	0	110.2	W136 G143 T484 L486	W136-V145 HydrophobicContact CB-CG2 4.39Å; W136-V145 HydrophobicContact CD2-CB 4.48Å; W136-V145 HydrophobicContact CD2-CG2 3.89Å; W136-V145 HydrophobicContact CE3-CB 3.93Å; W136-V145 HydrophobicContact CE3-CG1 3.73Å; W136-V145 HydrophobicContact CE3-CG2 3.83Å; W136-V145 HydrophobicContact CG-CG2 4.15Å; W136-V145 HydrophobicContact CZ3-CB 4.43Å; W136-V145 HydrophobicContact CZ3-CG1 3.73Å; W136-V145 HydrophobicContact CZ3-CG2 4.49Å; G143-V145 PolarHBondContact O-N 3.49Å; V145-T484 WeakPolarHBondContact O-CB 3.13Å; V145-T484 WeakPolarHBondContact O-CG2 3.38Å; V145-T484 PolarHBondContact O-OG1 2.9Å; V145-L486 HydrophobicContact CB-CD1 3.95Å; V145-L486 HydrophobicContact CG1-CD1 3.97Å
146	Y	97.2	Very high	94.2	Very high	19 Å²	19	51.2 Å²	51.2	8%	0.075	27%	0.27	C	S	.	.	S	Bend	trans	-98.7	-21.1	-167.9	-73.2	-102.7	0	0	0	114.7	K349 Y350 T484 V485	Y146-K349 WeakPolarHBondContact CB-O 3.44Å; Y146-K349 VanDerWaalsContact CD1-C 3.42Å; Y146-K349 HydrophobicContact CD1-CB 3.96Å; Y146-K349 HydrophobicContact CD2-CB 4.46Å; Y146-K349 HydrophobicContact CE1-CB 3.61Å; Y146-K349 HydrophobicContact CE1-CD 4.41Å; Y146-K349 HydrophobicContact CE1-CG 4.02Å; Y146-K349 HydrophobicContact CE2-CB 4.16Å; Y146-K349 HydrophobicContact CE2-CG 3.88Å; Y146-K349 HydrophobicContact CG-CB 4.37Å; Y146-K349 WeakPolarHBondContact OH-CD 3.12Å; Y146-Y350 AromaticContact CD1-CD1 3.75Å; Y146-Y350 HydrophobicContact CD1-CD1 3.75Å; Y146-Y350 HydrophobicContact CD1-CD2 4.27Å; Y146-Y350 AromaticContact CD1-CE1 3.66Å; Y146-Y350 HydrophobicContact CD1-CE1 3.66Å; Y146-Y350 HydrophobicContact CD1-CE2 4.2Å; Y146-Y350 HydrophobicContact CD1-CG 4.04Å; Y146-Y350 AromaticContact CD1-CZ 3.88Å; Y146-Y350 HydrophobicContact CE1-CD1 4.26Å; Y146-Y350 HydrophobicContact CE1-CD2 4.08Å; Y146-Y350 AromaticContact CE1-CE1 3.91Å; Y146-Y350 HydrophobicContact CE1-CE1 3.91Å; Y146-Y350 AromaticContact CE1-CE2 3.72Å; Y146-Y350 HydrophobicContact CE1-CE2 3.72Å; Y146-Y350 HydrophobicContact CE1-CG 4.33Å; Y146-Y350 AromaticContact CE1-CZ 3.61Å; Y146-T484 HydrophobicContact CD1-CG2 3.94Å; Y146-T484 HydrophobicContact CE1-CG2 4.25Å; Y146-T484 HydrophobicContact CG-CG2 4.21Å; Y146-V485 WeakPolarHBondContact O-CG2 3.38Å; Y146-V485 PolarHBondContact O-N 3.35Å
147	W	93.4	Very high	94.5	Very high	54 Å²	54	51 Å²	51	21%	0.205	28%	0.28	C	S	.	.			trans	-125.4	-74.3	-180	-167.1	-99	0	0	0	111.6	D149 L152 Y352 M407 A415 V485 L486	W147-D149 VanDerWaalsContact C-N 3.34Å; W147-D149 PolarHBondContact O-N 2.86Å; W147-L152 HydrophobicContact CB-CD2 4.29Å; W147-L152 VanDerWaalsContact CD1-CD2 3.43Å; W147-L152 HydrophobicContact CD2-CD2 4.02Å; W147-L152 HydrophobicContact CG-CD2 3.65Å; W147-Y352 HydrophobicContact CB-CD1 4.17Å; W147-Y352 HydrophobicContact CB-CG 4.4Å; W147-Y352 HydrophobicContact CD2-CD1 4.5Å; W147-Y352 HydrophobicContact CD2-CG 4.3Å; W147-Y352 AromaticContact CE3-CD1 3.69Å; W147-Y352 HydrophobicContact CE3-CD1 3.69Å; W147-Y352 AromaticContact CE3-CD2 3.7Å; W147-Y352 HydrophobicContact CE3-CD2 3.7Å; W147-Y352 AromaticContact CE3-CE1 3.91Å; W147-Y352 HydrophobicContact CE3-CE1 3.91Å; W147-Y352 AromaticContact CE3-CE2 3.93Å; W147-Y352 HydrophobicContact CE3-CE2 3.93Å; W147-Y352 AromaticContact CE3-CG 3.59Å; W147-Y352 HydrophobicContact CE3-CG 3.59Å; W147-Y352 AromaticContact CZ3-CD2 3.89Å; W147-Y352 HydrophobicContact CZ3-CD2 3.89Å; W147-Y352 HydrophobicContact CZ3-CE1 4.43Å; W147-Y352 AromaticContact CZ3-CE2 3.81Å; W147-Y352 HydrophobicContact CZ3-CE2 3.81Å; W147-Y352 HydrophobicContact CZ3-CG 4.26Å; W147-M407 HydrophobicContact CE3-CE 4.49Å; W147-M407 HydrophobicContact CH2-CE 3.56Å; W147-M407 HydrophobicContact CH2-SD 3.89Å; W147-M407 HydrophobicContact CZ2-CE 4.4Å; W147-M407 HydrophobicContact CZ2-SD 4.15Å; W147-M407 HydrophobicContact CZ3-CE 3.61Å; W147-M407 HydrophobicContact CZ3-SD 4.15Å; W147-A415 HydrophobicContact CZ3-CB 4.06Å; W147-V485 HydrophobicContact CE3-CB 4.34Å; W147-V485 HydrophobicContact CE3-CG1 4.44Å; W147-V485 HydrophobicContact CE3-CG2 3.64Å; W147-V485 HydrophobicContact CZ3-CG2 3.77Å; W147-L486 VanDerWaalsContact O-CD2 3.29Å; W147-L486 WeakPolarHBondContact O-CD2 3.29Å
148	G	82.8	Confident	94.9	Very high	30 Å²	30	53.1 Å²	53.1	31%	0.309	29%	0.285	S	S	.	.			trans	80.5	-0.1	169.9	0	0	0	0	0	116.7
149	D	88.8	Confident	95.2	Very high	66 Å²	66	49.2 Å²	49.2	35%	0.353	27%	0.269	S	S	.	.			trans	-77.9	149.3	173.2	150.3	77.6	0	0	0	112.9	W147 T151 L152 T153	W147-D149 VanDerWaalsContact C-N 3.34Å; W147-D149 PolarHBondContact O-N 2.86Å; D149-T151 VanDerWaalsContact CG-N 3.34Å; D149-T151 PolarHBondContact OD1-N 3.02Å; D149-T151 PolarHBondContact OD1-OG1 2.68Å; D149-T151 WeakPolarHBondContact OD2-CA 3.28Å; D149-T151 VanDerWaalsContact OD2-CB 3.23Å; D149-T151 WeakPolarHBondContact OD2-CB 3.35Å; D149-T151 PolarHBondContact OD2-N 3.24Å; D149-L152 PolarHBondContact OD2-N 3.31Å; D149-T153 WeakPolarHBondContact O-CB 3.44Å; D149-T153 PolarHBondContact O-N 3.23Å; D149-T153 PolarHBondContact O-OG1 3.41Å
150	E	91.7	Very high	95.4	Very high	124 Å²	124	54.2 Å²	54.2	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-69.7	-35.2	-176.5	-167.5	-176.2	176.4	0	0	112.4	T153 K154	E150-T153 PolarHBondContact O-N 3.06Å; E150-K154 VanDerWaalsContact CD-NZ 3.29Å; E150-K154 HydrophobicContact CG-CD 4.21Å; E150-K154 HydrophobicContact CG-CG 4.45Å; E150-K154 WeakPolarHBondContact O-CG 3.32Å; E150-K154 PolarHBondContact O-N 3.39Å; E150-K154 WeakPolarHBondContact OE1-CE 3.1Å; E150-K154 IonicContact OE1-NZ 2.59Å; E150-K154 PolarHBondContact OE1-NZ 2.87Å; E150-K154 IonicContact OE2-NZ 3.54Å
151	T	95.3	Very high	95.6	Very high	82 Å²	82	56 Å²	56	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-51.9	-176.2	-51.8	0	0	0	0	110.8	D149 T153 K154 L155	D149-T151 VanDerWaalsContact CG-N 3.34Å; D149-T151 PolarHBondContact OD1-N 3.02Å; D149-T151 PolarHBondContact OD1-OG1 2.68Å; D149-T151 WeakPolarHBondContact OD2-CA 3.28Å; D149-T151 VanDerWaalsContact OD2-CB 3.23Å; D149-T151 WeakPolarHBondContact OD2-CB 3.35Å; D149-T151 PolarHBondContact OD2-N 3.24Å; T151-T153 VanDerWaalsContact C-N 3.33Å; T151-T153 PolarHBondContact O-N 3.42Å; T151-K154 PolarHBondContact O-N 2.96Å; T151-L155 PolarHBondContact O-N 3.44Å
152	L	95.1	Very high	95.7	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-42.6	175.3	-178.4	59.2	0	0	0	110.5	W147 D149 K154 L155 L156 T403 Y406	W147-L152 HydrophobicContact CB-CD2 4.29Å; W147-L152 VanDerWaalsContact CD1-CD2 3.43Å; W147-L152 HydrophobicContact CD2-CD2 4.02Å; W147-L152 HydrophobicContact CG-CD2 3.65Å; D149-L152 PolarHBondContact OD2-N 3.31Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.49Å; L152-L155 HydrophobicContact CD1-CD2 4.33Å; L152-L155 WeakPolarHBondContact O-CB 3.46Å; L152-L155 PolarHBondContact O-N 2.89Å; L152-L155 VanDerWaalsContact O-N 3.13Å; L152-L156 HydrophobicContact CD1-CD1 4.36Å; L152-L156 HydrophobicContact CD1-CD2 4.08Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CD2-CD1 4.46Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.12Å; L152-L156 VanDerWaalsContact O-CG 3.3Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.3Å; L152-T403 HydrophobicContact CD1-CG2 4.43Å; L152-T403 HydrophobicContact CD2-CG2 4.31Å; L152-Y406 HydrophobicContact CD1-CD1 3.82Å; L152-Y406 HydrophobicContact CD1-CE1 4.24Å
153	T	96.1	Very high	95.7	Very high	68 Å²	68	62.8 Å²	62.8	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-58.4	-43.3	-178.8	-58.5	0	0	0	0	112.2	D149 E150 T151 L155 L156 V157	D149-T153 WeakPolarHBondContact O-CB 3.44Å; D149-T153 PolarHBondContact O-N 3.23Å; D149-T153 PolarHBondContact O-OG1 3.41Å; E150-T153 PolarHBondContact O-N 3.06Å; T151-T153 VanDerWaalsContact C-N 3.33Å; T151-T153 PolarHBondContact O-N 3.42Å; T153-L155 PolarHBondContact O-N 2.82Å; T153-L156 PolarHBondContact O-N 2.81Å; T153-V157 HydrophobicContact CG2-CG2 4.37Å; T153-V157 WeakPolarHBondContact O-CG2 3.29Å; T153-V157 PolarHBondContact O-N 2.74Å
154	K	97.9	Very high	95.8	Very high	127 Å²	127	64.4 Å²	64.4	55%	0.552	35%	0.354	S	S	*	.	H	α-helix	trans	-60.5	-43.8	175.7	-77.1	173.7	178.6	164.6	0	112.3	E150 T151 L152 K158	E150-K154 VanDerWaalsContact CD-NZ 3.29Å; E150-K154 HydrophobicContact CG-CD 4.21Å; E150-K154 HydrophobicContact CG-CG 4.45Å; E150-K154 WeakPolarHBondContact O-CG 3.32Å; E150-K154 PolarHBondContact O-N 3.39Å; E150-K154 WeakPolarHBondContact OE1-CE 3.1Å; E150-K154 IonicContact OE1-NZ 2.59Å; E150-K154 PolarHBondContact OE1-NZ 2.87Å; E150-K154 IonicContact OE2-NZ 3.54Å; T151-K154 PolarHBondContact O-N 2.96Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.49Å; K154-K158 WeakPolarHBondContact O-CB 3.3Å; K154-K158 PolarHBondContact O-N 3.22Å
155	L	97.9	Very high	96	Very high	59 Å²	59	72.8 Å²	72.8	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-48.6	175	174.8	64	0	0	0	111	T151 L152 T153 V157 K158 V159 Y406	T151-L155 PolarHBondContact O-N 3.44Å; L152-L155 HydrophobicContact CD1-CD2 4.33Å; L152-L155 WeakPolarHBondContact O-CB 3.46Å; L152-L155 PolarHBondContact O-N 2.89Å; L152-L155 VanDerWaalsContact O-N 3.13Å; T153-L155 PolarHBondContact O-N 2.82Å; L155-V157 PolarHBondContact O-N 3.11Å; L155-K158 PolarHBondContact O-N 2.91Å; L155-V159 HydrophobicContact CD1-CG2 4.01Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.3Å; L155-Y406 HydrophobicContact CD2-CD1 4.46Å; L155-Y406 HydrophobicContact CD2-CD2 3.81Å; L155-Y406 HydrophobicContact CD2-CG 3.75Å
156	L	97.6	Very high	96.1	Very high	23 Å²	23	71.2 Å²	71.2	12%	0.12	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-42.8	-177.5	-60.3	-179.7	0	0	0	112.5	L152 T153 K158 V159 Y160 A399 T403	L152-L156 HydrophobicContact CD1-CD1 4.36Å; L152-L156 HydrophobicContact CD1-CD2 4.08Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CD2-CD1 4.46Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.12Å; L152-L156 VanDerWaalsContact O-CG 3.3Å; L152-L156 WeakPolarHBondContact O-CG 3.49Å; L152-L156 PolarHBondContact O-N 3.3Å; T153-L156 PolarHBondContact O-N 2.81Å; L156-K158 VanDerWaalsContact C-N 3.35Å; L156-V159 PolarHBondContact O-N 2.59Å; L156-Y160 WeakPolarHBondContact O-CB 3.27Å; L156-Y160 PolarHBondContact O-N 3.42Å; L156-A399 HydrophobicContact CD2-CB 4.16Å; L156-A399 WeakPolarHBondContact CD2-O 3.18Å; L156-T403 WeakPolarHBondContact CD2-OG1 3.47Å
157	V	97.6	Very high	96.1	Very high	97 Å²	97	71.4 Å²	71.4	59%	0.588	37%	0.367	S	S	*	.	H	α-helix	trans	-64.4	-41.5	177.7	171.2	0	0	0	0	110.9	T153 L155 Y160 G161	T153-V157 HydrophobicContact CG2-CG2 4.37Å; T153-V157 WeakPolarHBondContact O-CG2 3.29Å; T153-V157 PolarHBondContact O-N 2.74Å; L155-V157 PolarHBondContact O-N 3.11Å; V157-Y160 PolarHBondContact O-N 2.98Å; V157-G161 PolarHBondContact O-N 3.35Å
158	K	98.6	Very high	96.3	Very high	130 Å²	130	69.4 Å²	69.4	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-62.8	-50.6	177	177.1	54.4	-179.7	147.3	0	111.5	K154 L155 L156 Y160 G161 D162	K154-K158 WeakPolarHBondContact O-CB 3.3Å; K154-K158 PolarHBondContact O-N 3.22Å; L155-K158 PolarHBondContact O-N 2.91Å; L156-K158 VanDerWaalsContact C-N 3.35Å; K158-Y160 VanDerWaalsContact C-N 3.34Å; K158-Y160 PolarHBondContact O-N 3.06Å; K158-G161 PolarHBondContact O-N 2.93Å; K158-G161 VanDerWaalsContact O-N 3.17Å; K158-D162 IonicContact NZ-OD1 2.68Å; K158-D162 PolarHBondContact NZ-OD1 2.97Å; K158-D162 IonicContact NZ-OD2 3.42Å; K158-D162 PolarHBondContact NZ-OD2 3.34Å; K158-D162 PolarHBondContact O-N 3.3Å
159	V	98.6	Very high	97	Very high	22 Å²	22	70.6 Å²	70.6	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-41.2	178.2	173.3	0	0	0	0	111.4	L155 L156 G161 D162 F163 A398 A399 A402	L155-V159 HydrophobicContact CD1-CG2 4.01Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.3Å; L156-V159 PolarHBondContact O-N 2.59Å; V159-G161 VanDerWaalsContact C-N 3.32Å; V159-G161 PolarHBondContact O-N 3.46Å; V159-D162 PolarHBondContact O-N 3.49Å; V159-F163 HydrophobicContact CG1-CD2 4.37Å; V159-F163 WeakPolarHBondContact O-CD2 3.46Å; V159-F163 PolarHBondContact O-N 3.35Å; V159-A398 HydrophobicContact CG1-CB 3.77Å; V159-A399 HydrophobicContact CG1-CB 4.42Å; V159-A402 HydrophobicContact CB-CB 4.43Å; V159-A402 HydrophobicContact CG1-CB 4.1Å; V159-A402 HydrophobicContact CG2-CB 3.95Å
160	Y	98.6	Very high	97.5	Very high	106 Å²	106	71 Å²	71	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-45.5	174.5	178	-86.6	0	0	0	111.2	L156 V157 K158 D162 F163 A164 I396	L156-Y160 WeakPolarHBondContact O-CB 3.27Å; L156-Y160 PolarHBondContact O-N 3.42Å; V157-Y160 PolarHBondContact O-N 2.98Å; K158-Y160 VanDerWaalsContact C-N 3.34Å; K158-Y160 PolarHBondContact O-N 3.06Å; Y160-D162 VanDerWaalsContact C-N 3.34Å; Y160-D162 PolarHBondContact O-N 3.4Å; Y160-F163 CarbonylContact O-C 3.56Å; Y160-F163 PolarHBondContact O-N 3.25Å; Y160-F163 VanDerWaalsContact O-N 3.16Å; Y160-A164 WeakPolarHBondContact O-CA 3.25Å; Y160-A164 PolarHBondContact O-N 3.35Å; Y160-I396 HydrophobicContact CD2-CD1 3.91Å; Y160-I396 HydrophobicContact CD2-CG1 4.42Å; Y160-I396 HydrophobicContact CE2-CD1 3.81Å; Y160-I396 HydrophobicContact CE2-CG1 4.1Å
161	G	98.4	Very high	97.8	Very high	44 Å²	44	68 Å²	68	45%	0.454	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-42.8	177.2	0	0	0	0	0	112.9	V157 K158 V159 F163 A164	V157-G161 PolarHBondContact O-N 3.35Å; K158-G161 PolarHBondContact O-N 2.93Å; K158-G161 VanDerWaalsContact O-N 3.17Å; V159-G161 VanDerWaalsContact C-N 3.32Å; V159-G161 PolarHBondContact O-N 3.46Å; G161-F163 PolarHBondContact O-N 2.81Å; G161-A164 PolarHBondContact O-N 2.83Å
162	D	98.6	Very high	97.9	Very high	98 Å²	98	70.1 Å²	70.1	52%	0.524	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-22.9	179	-66.2	-19.4	0	0	0	112.9	K158 V159 Y160	K158-D162 IonicContact NZ-OD1 2.68Å; K158-D162 PolarHBondContact NZ-OD1 2.97Å; K158-D162 IonicContact NZ-OD2 3.42Å; K158-D162 PolarHBondContact NZ-OD2 3.34Å; K158-D162 PolarHBondContact O-N 3.3Å; V159-D162 PolarHBondContact O-N 3.49Å; Y160-D162 VanDerWaalsContact C-N 3.34Å; Y160-D162 PolarHBondContact O-N 3.4Å
163	F	98.6	Very high	98	Very high	66 Å²	66	74.9 Å²	74.9	29%	0.289	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	16.3	-178.6	-74.4	-85.9	0	0	0	113.4	V159 Y160 G161 W165 S166 V177 M180 G395 A398	V159-F163 HydrophobicContact CG1-CD2 4.37Å; V159-F163 WeakPolarHBondContact O-CD2 3.46Å; V159-F163 PolarHBondContact O-N 3.35Å; Y160-F163 CarbonylContact O-C 3.56Å; Y160-F163 PolarHBondContact O-N 3.25Å; Y160-F163 VanDerWaalsContact O-N 3.16Å; G161-F163 PolarHBondContact O-N 2.81Å; F163-W165 PolarHBondContact O-N 2.94Å; F163-W165 VanDerWaalsContact O-N 3.1Å; F163-S166 WeakPolarHBondContact O-CB 3.06Å; F163-S166 PolarHBondContact O-N 3.37Å; F163-S166 PolarHBondContact O-OG 3.19Å; F163-V177 HydrophobicContact CD1-CG2 3.32Å; F163-V177 HydrophobicContact CE1-CG2 3.7Å; F163-V177 HydrophobicContact CG-CG2 4.3Å; F163-M180 HydrophobicContact CD1-CE 4.03Å; F163-M180 HydrophobicContact CD2-CE 4.41Å; F163-M180 HydrophobicContact CE1-CE 3.51Å; F163-M180 HydrophobicContact CE2-CE 3.95Å; F163-M180 HydrophobicContact CG-CE 4.44Å; F163-M180 HydrophobicContact CZ-CE 3.48Å; F163-M180 VanDerWaalsContact CZ-CE 3.48Å; F163-G395 PolarHBondContact O-N 3.19Å; F163-A398 HydrophobicContact CB-CB 3.85Å; F163-A398 HydrophobicContact CD1-CB 4.24Å; F163-A398 HydrophobicContact CD2-CB 3.51Å; F163-A398 HydrophobicContact CE2-CB 4.09Å; F163-A398 HydrophobicContact CG-CB 3.6Å
164	A	98.3	Very high	98.1	Very high	40 Å²	40	74.5 Å²	74.5	33%	0.331	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.9	-171.1	0	0	0	0	0	113.7	Y160 G161	Y160-A164 WeakPolarHBondContact O-CA 3.25Å; Y160-A164 PolarHBondContact O-N 3.35Å; G161-A164 PolarHBondContact O-N 2.83Å
165	W	98.1	Very high	98.2	Very high	230 Å²	230	72.1 Å²	72.1	87%	0.871	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.4	-178.5	-56.5	116.2	0	0	0	114.5	F163 N167 F174	F163-W165 PolarHBondContact O-N 2.94Å; F163-W165 VanDerWaalsContact O-N 3.1Å; W165-N167 PolarHBondContact O-N 3.48Å; W165-F174 WeakPolarHBondContact O-CZ 3.27Å
166	S	98.3	Very high	98.2	Very high	7 Å²	7	71.1 Å²	71.1	5%	0.049	38%	0.377	C	S	.	.			trans	-73.1	131.1	-177.2	64.3	0	0	0	0	111	F163 V177 G394 G395	F163-S166 WeakPolarHBondContact O-CB 3.06Å; F163-S166 PolarHBondContact O-N 3.37Å; F163-S166 PolarHBondContact O-OG 3.19Å; S166-V177 WeakPolarHBondContact OG-CG2 3.36Å; S166-G394 VanDerWaalsContact O-CA 3.31Å; S166-G394 WeakPolarHBondContact O-CA 3.4Å; S166-G394 PolarHBondContact O-N 2.94Å; S166-G394 VanDerWaalsContact OG-C 3.22Å; S166-G394 WeakPolarHBondContact OG-CA 3.45Å; S166-G395 PolarHBondContact OG-N 3.34Å
167	N	98.5	Very high	98.2	Very high	24 Å²	24	70 Å²	70	13%	0.128	37%	0.372	C	S	.	.			trans	-126.3	110.6	177.9	-179.4	7.3	0	0	0	109.5	W165 L169 H170 F174 S391 R392	W165-N167 PolarHBondContact O-N 3.48Å; N167-L169 PolarHBondContact O-N 2.72Å; N167-L169 WeakPolarHBondContact OD1-CB 3.49Å; N167-L169 PolarHBondContact OD1-N 2.81Å; N167-H170 PolarHBondContact O-N 2.79Å; N167-F174 HydrophobicContact CB-CE2 4.26Å; N167-F174 VanDerWaalsContact O-CD2 3.23Å; N167-F174 WeakPolarHBondContact O-CD2 3.49Å; N167-S391 WeakPolarHBondContact ND2-CB 3.44Å; N167-S391 PolarHBondContact ND2-OG 2.87Å; N167-S391 WeakPolarHBondContact OD1-CA 3.43Å; N167-R392 PolarHBondContact OD1-N 3.19Å; N167-R392 PolarHBondContact OD1-O 3.23Å
168	P	97.8	Very high	98.2	Very high	12 Å²	12	71 Å²	71	8%	0.078	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-1.1	-176.5	33.4	-38.9	0	0	0	113.7	H170 V177 R392 I397	P168-H170 PolarHBondContact O-N 2.84Å; P168-V177 HydrophobicContact CB-CG1 4.22Å; P168-R392 VanDerWaalsContact CB-NH2 3.33Å; P168-R392 VanDerWaalsContact CD-O 3.22Å; P168-R392 WeakPolarHBondContact CD-O 3.39Å; P168-R392 HydrophobicContact CG-CB 3.76Å; P168-I397 HydrophobicContact CB-CD1 4.29Å; P168-I397 HydrophobicContact CG-CD1 3.86Å
169	L	97.9	Very high	98.3	Very high	54 Å²	54	69.7 Å²	69.7	28%	0.283	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.3	163.9	-175.8	63.5	0	0	0	112.3	N167 P171 Y383	N167-L169 PolarHBondContact O-N 2.72Å; N167-L169 WeakPolarHBondContact OD1-CB 3.49Å; N167-L169 PolarHBondContact OD1-N 2.81Å; L169-P171 WeakPolarHBondContact O-CD 3.36Å; L169-Y383 HydrophobicContact CD1-CE2 4.31Å
170	H	98.1	Very high	98.3	Very high	75 Å²	75	69.4 Å²	69.4	35%	0.347	36%	0.357	S	S	.	.			trans	-112.3	72.9	-179.8	-52.5	-76.9	0	0	0	110.2	N167 P168 D172 I173 F174	N167-H170 PolarHBondContact O-N 2.79Å; P168-H170 PolarHBondContact O-N 2.84Å; H170-D172 VanDerWaalsContact C-OD1 3.22Å; H170-D172 WeakPolarHBondContact CA-OD1 3.46Å; H170-D172 PolarHBondContact O-N 3.02Å; H170-I173 HydrophobicContact CB-CB 4.03Å; H170-I173 HydrophobicContact CB-CD1 3.93Å; H170-I173 HydrophobicContact CB-CG1 4.04Å; H170-I173 PolarHBondContact O-N 3.45Å; H170-I173 VanDerWaalsContact O-N 3.15Å; H170-F174 HydrophobicContact CB-CD2 4.12Å; H170-F174 HydrophobicContact CB-CE2 4.33Å; H170-F174 PolarHBondContact O-N 3.06Å
171	P	97.4	Very high	98.3	Very high	62 Å²	62	65.5 Å²	65.5	40%	0.403	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.3	-175.2	29.7	-37.1	0	0	0	113.7	L169 P175 R178	L169-P171 WeakPolarHBondContact O-CD 3.36Å; P171-P175 WeakPolarHBondContact O-CA 3.28Å; P171-R178 HydrophobicContact CB-CB 4.23Å; P171-R178 HydrophobicContact CB-CG 4.06Å
172	D	97.4	Very high	98.3	Very high	126 Å²	126	65.1 Å²	65.1	67%	0.674	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-38.9	171	60	-46.1	0	0	0	112	H170	H170-D172 VanDerWaalsContact C-OD1 3.22Å; H170-D172 WeakPolarHBondContact CA-OD1 3.46Å; H170-D172 PolarHBondContact O-N 3.02Å
173	I	98.2	Very high	98.3	Very high	103 Å²	103	63.3 Å²	63.3	53%	0.528	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-38.4	176.9	-55.4	179.8	0	0	0	111.1	H170 P175	H170-I173 HydrophobicContact CB-CB 4.03Å; H170-I173 HydrophobicContact CB-CD1 3.93Å; H170-I173 HydrophobicContact CB-CG1 4.04Å; H170-I173 PolarHBondContact O-N 3.45Å; H170-I173 VanDerWaalsContact O-N 3.15Å; I173-P175 VanDerWaalsContact O-CD 3.23Å; I173-P175 WeakPolarHBondContact O-CD 3.22Å
174	F	98.4	Very high	98.3	Very high	60 Å²	60	60.2 Å²	60.2	26%	0.263	31%	0.31	S	S	.	.			trans	-119.5	59.1	-174.9	-53.1	-73.1	0	0	0	113.4	W165 N167 H170 G176 V177 R178	W165-F174 WeakPolarHBondContact O-CZ 3.27Å; N167-F174 HydrophobicContact CB-CE2 4.26Å; N167-F174 VanDerWaalsContact O-CD2 3.23Å; N167-F174 WeakPolarHBondContact O-CD2 3.49Å; H170-F174 HydrophobicContact CB-CD2 4.12Å; H170-F174 HydrophobicContact CB-CE2 4.33Å; H170-F174 PolarHBondContact O-N 3.06Å; F174-G176 PolarHBondContact O-N 3.24Å; F174-V177 PolarHBondContact O-N 3.45Å; F174-R178 PolarHBondContact O-N 3.07Å
175	P	98.4	Very high	98.4	Very high	77 Å²	77	59 Å²	59	50%	0.5	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-26.2	-176.8	26.7	-35.2	0	0	0	113	P171 I173 R178 K179	P171-P175 WeakPolarHBondContact O-CA 3.28Å; I173-P175 VanDerWaalsContact O-CD 3.23Å; I173-P175 WeakPolarHBondContact O-CD 3.22Å; P175-R178 PolarHBondContact O-N 3.33Å; P175-K179 WeakPolarHBondContact O-CB 3.43Å; P175-K179 PolarHBondContact O-N 3.14Å
176	G	98.5	Very high	98.4	Very high	37 Å²	37	53 Å²	53	38%	0.381	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-46.7	175.8	0	0	0	0	0	113	F174 K179 M180	F174-G176 PolarHBondContact O-N 3.24Å; G176-K179 WeakPolarHBondContact O-CB 3.43Å; G176-K179 PolarHBondContact O-N 3.48Å; G176-M180 PolarHBondContact O-N 3.41Å
177	V	98	Very high	98.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-40.7	176.1	175.8	0	0	0	0	111.2	F163 S166 P168 F174 K179 M180 E181 I397	F163-V177 HydrophobicContact CD1-CG2 3.32Å; F163-V177 HydrophobicContact CE1-CG2 3.7Å; F163-V177 HydrophobicContact CG-CG2 4.3Å; S166-V177 WeakPolarHBondContact OG-CG2 3.36Å; P168-V177 HydrophobicContact CB-CG1 4.22Å; F174-V177 PolarHBondContact O-N 3.45Å; V177-K179 PolarHBondContact O-N 3.06Å; V177-M180 HydrophobicContact CB-CE 4.47Å; V177-M180 HydrophobicContact CG2-CE 3.96Å; V177-M180 PolarHBondContact O-N 3.29Å; V177-E181 WeakPolarHBondContact O-CB 3.29Å; V177-E181 PolarHBondContact O-N 2.86Å; V177-I397 HydrophobicContact CG1-CB 4.05Å; V177-I397 HydrophobicContact CG1-CD1 4Å; V177-I397 HydrophobicContact CG1-CG2 4.01Å
178	R	98.6	Very high	98.5	Very high	117 Å²	117	53.7 Å²	53.7	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-56	-42.2	173	-176.8	-105.1	73	90.4	-6.2	111.2	P171 F174 P175 A182	P171-R178 HydrophobicContact CB-CB 4.23Å; P171-R178 HydrophobicContact CB-CG 4.06Å; F174-R178 PolarHBondContact O-N 3.07Å; P175-R178 PolarHBondContact O-N 3.33Å; R178-A182 PolarHBondContact O-N 2.78Å
179	K	98.8	Very high	98.5	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-53.4	175.6	-177.4	-179.8	176.2	-71.3	0	111.6	P175 G176 V177 E181 A182 E183	P175-K179 WeakPolarHBondContact O-CB 3.43Å; P175-K179 PolarHBondContact O-N 3.14Å; G176-K179 WeakPolarHBondContact O-CB 3.43Å; G176-K179 PolarHBondContact O-N 3.48Å; V177-K179 PolarHBondContact O-N 3.06Å; K179-E181 VanDerWaalsContact C-N 3.32Å; K179-E181 PolarHBondContact O-N 3.41Å; K179-A182 PolarHBondContact O-N 3.19Å; K179-E183 WeakPolarHBondContact CE-OE1 3.37Å; K179-E183 IonicContact NZ-OE1 2.59Å; K179-E183 PolarHBondContact NZ-OE1 3.31Å; K179-E183 IonicContact NZ-OE2 2.97Å; K179-E183 PolarHBondContact NZ-OE2 3.22Å; K179-E183 WeakPolarHBondContact O-CG 3.43Å; K179-E183 PolarHBondContact O-N 3.08Å
180	M	98.9	Very high	98.6	Very high	16 Å²	16	54 Å²	54	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-41.7	179.3	-70.6	-174.6	-70.2	0	0	112.2	F163 G176 V177 A182 E183 V184 I397 A398 W401	F163-M180 HydrophobicContact CD1-CE 4.03Å; F163-M180 HydrophobicContact CD2-CE 4.41Å; F163-M180 HydrophobicContact CE1-CE 3.51Å; F163-M180 HydrophobicContact CE2-CE 3.95Å; F163-M180 HydrophobicContact CG-CE 4.44Å; F163-M180 HydrophobicContact CZ-CE 3.48Å; F163-M180 VanDerWaalsContact CZ-CE 3.48Å; G176-M180 PolarHBondContact O-N 3.41Å; V177-M180 HydrophobicContact CB-CE 4.47Å; V177-M180 HydrophobicContact CG2-CE 3.96Å; V177-M180 PolarHBondContact O-N 3.29Å; M180-A182 PolarHBondContact O-N 3.28Å; M180-E183 PolarHBondContact O-N 3.33Å; M180-V184 WeakPolarHBondContact O-CG2 3.47Å; M180-V184 PolarHBondContact O-N 3Å; M180-I397 HydrophobicContact CB-CG2 4.39Å; M180-A398 HydrophobicContact CE-CB 3.45Å; M180-A398 VanDerWaalsContact CE-CB 3.45Å; M180-A398 HydrophobicContact SD-CB 3.98Å; M180-W401 HydrophobicContact CB-CB 3.84Å; M180-W401 HydrophobicContact CB-CD2 4.46Å; M180-W401 HydrophobicContact CB-CG 3.78Å; M180-W401 HydrophobicContact CG-CB 4.09Å; M180-W401 HydrophobicContact CG-CD2 3.84Å; M180-W401 HydrophobicContact CG-CE3 4.35Å; M180-W401 HydrophobicContact CG-CG 3.69Å; M180-W401 HydrophobicContact SD-CB 4.18Å; M180-W401 HydrophobicContact SD-CD2 4.02Å; M180-W401 HydrophobicContact SD-CE3 3.95Å; M180-W401 HydrophobicContact SD-CG 4.13Å
181	E	98.8	Very high	98.6	Very high	24 Å²	24	52.5 Å²	52.5	11%	0.112	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-45.8	177.4	-164.2	175.5	-178.6	0	0	112	V177 K179 E183 V184 V185 V202 R392 I397	V177-E181 WeakPolarHBondContact O-CB 3.29Å; V177-E181 PolarHBondContact O-N 2.86Å; K179-E181 VanDerWaalsContact C-N 3.32Å; K179-E181 PolarHBondContact O-N 3.41Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-E183 PolarHBondContact O-N 3.34Å; E181-V184 PolarHBondContact O-N 2.67Å; E181-V185 WeakPolarHBondContact O-CG2 3.13Å; E181-V185 PolarHBondContact O-N 3.37Å; E181-V185 VanDerWaalsContact O-N 3.15Å; E181-V202 HydrophobicContact CG-CB 3.83Å; E181-V202 HydrophobicContact CG-CG2 3.53Å; E181-R392 IonicContact OE1-CZ 3.38Å; E181-R392 IonicContact OE1-NH1 2.72Å; E181-R392 PolarHBondContact OE1-NH1 2.76Å; E181-R392 IonicContact OE1-NH2 3.16Å; E181-R392 PolarHBondContact OE1-NH2 3.04Å; E181-R392 VanDerWaalsContact OE1-NH2 3.16Å; E181-R392 IonicContact OE2-CZ 3.7Å; E181-R392 IonicContact OE2-NH1 3.57Å; E181-R392 IonicContact OE2-NH2 2.88Å; E181-R392 PolarHBondContact OE2-NH2 2.67Å; E181-I397 HydrophobicContact CB-CD1 4.46Å; E181-I397 HydrophobicContact CB-CG2 3.76Å; E181-I397 HydrophobicContact CG-CD1 4.18Å; E181-I397 HydrophobicContact CG-CG2 4.21Å
182	A	98.9	Very high	98.7	Very high	36 Å²	36	49.6 Å²	49.6	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-67.3	-35.4	178.5	0	0	0	0	0	112.8	R178 K179 M180 V185 R186	R178-A182 PolarHBondContact O-N 2.78Å; K179-A182 PolarHBondContact O-N 3.19Å; M180-A182 PolarHBondContact O-N 3.28Å; A182-V185 PolarHBondContact O-N 3.2Å; A182-R186 WeakPolarHBondContact O-CB 3.5Å; A182-R186 PolarHBondContact O-N 3.18Å
183	E	98.9	Very high	98.7	Very high	61 Å²	61	47.4 Å²	47.4	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-68.6	-42.1	176.4	-73.1	176.6	157.4	0	0	111.5	K179 M180 E181 V185 R186 M187 W401	K179-E183 WeakPolarHBondContact CE-OE1 3.37Å; K179-E183 IonicContact NZ-OE1 2.59Å; K179-E183 PolarHBondContact NZ-OE1 3.31Å; K179-E183 IonicContact NZ-OE2 2.97Å; K179-E183 PolarHBondContact NZ-OE2 3.22Å; K179-E183 WeakPolarHBondContact O-CG 3.43Å; K179-E183 PolarHBondContact O-N 3.08Å; M180-E183 PolarHBondContact O-N 3.33Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-E183 PolarHBondContact O-N 3.34Å; E183-V185 VanDerWaalsContact C-N 3.32Å; E183-V185 PolarHBondContact O-N 2.68Å; E183-R186 PolarHBondContact O-N 3.47Å; E183-M187 HydrophobicContact CB-CE 4.41Å; E183-M187 WeakPolarHBondContact O-CB 3.36Å; E183-M187 WeakPolarHBondContact O-CE 3.39Å; E183-M187 VanDerWaalsContact O-CG 3.28Å; E183-M187 WeakPolarHBondContact O-CG 3.4Å; E183-M187 PolarHBondContact O-N 3.43Å; E183-W401 PolarHBondContact OE2-NE1 3.4Å
184	V	98.9	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-55.3	-47.9	172.7	168.3	0	0	0	0	110.9	M180 E181 M187 S188 V202 T347 V359 W401 M404	M180-V184 WeakPolarHBondContact O-CG2 3.47Å; M180-V184 PolarHBondContact O-N 3Å; E181-V184 PolarHBondContact O-N 2.67Å; V184-M187 HydrophobicContact CG2-CE 4.41Å; V184-S188 WeakPolarHBondContact O-CB 3.26Å; V184-S188 PolarHBondContact O-N 3.23Å; V184-S188 PolarHBondContact O-OG 2.93Å; V184-V202 HydrophobicContact CB-CG2 4.24Å; V184-V202 HydrophobicContact CG1-CG2 3.86Å; V184-T347 HydrophobicContact CG1-CG2 4.37Å; V184-V359 HydrophobicContact CG1-CG1 3.93Å; V184-W401 HydrophobicContact CG2-CB 3.81Å; V184-W401 HydrophobicContact CG2-CG 4.45Å; V184-M404 HydrophobicContact CB-SD 4.35Å; V184-M404 HydrophobicContact CG1-SD 4.04Å; V184-M404 HydrophobicContact CG2-SD 4.09Å
185	V	98.9	Very high	98.7	Very high	14 Å²	14	42.2 Å²	42.2	9%	0.085	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-47.6	176.9	171.4	0	0	0	0	111.2	E181 A182 E183 S188 C189 V202 L361	E181-V185 WeakPolarHBondContact O-CG2 3.13Å; E181-V185 PolarHBondContact O-N 3.37Å; E181-V185 VanDerWaalsContact O-N 3.15Å; A182-V185 PolarHBondContact O-N 3.2Å; E183-V185 VanDerWaalsContact C-N 3.32Å; E183-V185 PolarHBondContact O-N 2.68Å; V185-S188 PolarHBondContact O-N 2.89Å; V185-C189 PolarHBondContact O-N 2.9Å; V185-V202 HydrophobicContact CG2-CG2 4.03Å; V185-L361 HydrophobicContact CG1-CD2 4.21Å
186	R	98.9	Very high	98.6	Very high	104 Å²	104	43.9 Å²	43.9	39%	0.392	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-43.2	-177.2	177.2	51.6	65.3	-167.9	2.9	112	A182 E183 S188 C189 S190 G195 P196 S198	A182-R186 WeakPolarHBondContact O-CB 3.5Å; A182-R186 PolarHBondContact O-N 3.18Å; E183-R186 PolarHBondContact O-N 3.47Å; R186-S188 VanDerWaalsContact C-N 3.29Å; R186-S188 PolarHBondContact O-N 3.43Å; R186-C189 WeakPolarHBondContact O-CB 3.43Å; R186-C189 PolarHBondContact O-N 3.35Å; R186-S190 PolarHBondContact O-N 3.28Å; R186-S190 PolarHBondContact O-OG 2.68Å; R186-G195 PolarHBondContact NH1-O 3.39Å; R186-P196 PolarHBondContact NH2-O 3.08Å; R186-S198 PolarHBondContact NH1-O 3.43Å; R186-S198 PolarHBondContact NH2-O 3.07Å; R186-S198 VanDerWaalsContact NH2-O 3.07Å
187	M	98.9	Very high	98.6	Very high	46 Å²	46	47 Å²	47	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-44.8	173.9	-73.5	-172.9	-75.6	0	0	111.1	E183 V184 S190 L191 M404 M405	E183-M187 HydrophobicContact CB-CE 4.41Å; E183-M187 WeakPolarHBondContact O-CB 3.36Å; E183-M187 WeakPolarHBondContact O-CE 3.39Å; E183-M187 VanDerWaalsContact O-CG 3.28Å; E183-M187 WeakPolarHBondContact O-CG 3.4Å; E183-M187 PolarHBondContact O-N 3.43Å; V184-M187 HydrophobicContact CG2-CE 4.41Å; M187-S190 WeakPolarHBondContact O-CB 3.37Å; M187-S190 PolarHBondContact O-N 2.93Å; M187-L191 WeakPolarHBondContact O-CG 3.37Å; M187-L191 PolarHBondContact O-N 3.15Å; M187-M404 HydrophobicContact CB-CE 3.48Å; M187-M404 VanDerWaalsContact CB-CE 3.48Å; M187-M404 HydrophobicContact CE-CB 3.94Å; M187-M404 HydrophobicContact CE-CE 3.74Å; M187-M404 HydrophobicContact CE-CG 4.49Å; M187-M404 HydrophobicContact CE-SD 3.77Å; M187-M404 HydrophobicContact CG-CE 4.34Å; M187-M404 HydrophobicContact SD-CB 4.3Å; M187-M404 HydrophobicContact SD-CE 3.9Å; M187-M405 HydrophobicContact CE-CE 3.62Å; M187-M405 HydrophobicContact SD-CE 3.08Å; M187-M405 WeakPolarHBondContact SD-CE 3.46Å
188	S	98.9	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-45.6	177.2	-55.7	0	0	0	0	111.6	V184 V185 R186 S190 L191 F192	V184-S188 WeakPolarHBondContact O-CB 3.26Å; V184-S188 PolarHBondContact O-N 3.23Å; V184-S188 PolarHBondContact O-OG 2.93Å; V185-S188 PolarHBondContact O-N 2.89Å; R186-S188 VanDerWaalsContact C-N 3.29Å; R186-S188 PolarHBondContact O-N 3.43Å; S188-S190 VanDerWaalsContact C-N 3.28Å; S188-S190 PolarHBondContact O-N 3.08Å; S188-L191 PolarHBondContact O-N 3.28Å; S188-F192 VanDerWaalsContact O-CD2 3.3Å; S188-F192 WeakPolarHBondContact O-CD2 3.25Å; S188-F192 PolarHBondContact O-N 3.33Å
189	C	98.9	Very high	98.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-53.3	-44.2	171.5	-84.2	0	0	0	0	112.6	V185 R186 F192 N193 G194 S198	V185-C189 PolarHBondContact O-N 2.9Å; R186-C189 WeakPolarHBondContact O-CB 3.43Å; R186-C189 PolarHBondContact O-N 3.35Å; C189-F192 CarbonylContact O-C 3.43Å; C189-F192 PolarHBondContact O-N 3.11Å; C189-N193 PolarHBondContact O-N 3.14Å; C189-G194 PolarHBondContact O-N 3.48Å; C189-S198 VanDerWaalsContact CB-OG 3.28Å; C189-S198 WeakPolarHBondContact CB-OG 3.3Å; C189-S198 PolarHBondContact SG-OG 3.45Å
190	S	98.8	Very high	98.6	Very high	72 Å²	72	37 Å²	37	50%	0.503	22%	0.217	S	C	.	.	H	α-helix	trans	-66.5	-41.6	178.7	-62.7	0	0	0	0	112	R186 M187 S188 F192 N193	R186-S190 PolarHBondContact O-N 3.28Å; R186-S190 PolarHBondContact O-OG 2.68Å; M187-S190 WeakPolarHBondContact O-CB 3.37Å; M187-S190 PolarHBondContact O-N 2.93Å; S188-S190 VanDerWaalsContact C-N 3.28Å; S188-S190 PolarHBondContact O-N 3.08Å; S190-F192 VanDerWaalsContact C-N 3.25Å; S190-F192 PolarHBondContact O-N 3.23Å; S190-N193 PolarHBondContact O-N 2.91Å
191	L	98.8	Very high	98.6	Very high	44 Å²	44	36.7 Å²	36.7	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-36	175.4	-71.2	172.9	0	0	0	112.2	M187 S188 N193 F318 V321 F322	M187-L191 WeakPolarHBondContact O-CG 3.37Å; M187-L191 PolarHBondContact O-N 3.15Å; S188-L191 PolarHBondContact O-N 3.28Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-F318 HydrophobicContact CD1-CD1 4.36Å; L191-F318 HydrophobicContact CD1-CE1 3.92Å; L191-V321 HydrophobicContact CB-CB 4.27Å; L191-V321 HydrophobicContact CB-CG1 4.3Å; L191-V321 HydrophobicContact CB-CG2 4.2Å; L191-V321 HydrophobicContact CD1-CG2 4.49Å; L191-V321 HydrophobicContact CD2-CG2 4.35Å; L191-F322 HydrophobicContact CD1-CZ 4Å; L191-F322 HydrophobicContact CD2-CE1 3.6Å; L191-F322 HydrophobicContact CD2-CZ 3.6Å; L191-F322 HydrophobicContact CG-CZ 4.46Å
192	F	98.8	Very high	98.6	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	16.4	175.1	-72.6	-78.3	0	0	0	113.9	S188 C189 S190 G194 A313 I320 V321 F333 D334 F335 I343 A345 L361	S188-F192 VanDerWaalsContact O-CD2 3.3Å; S188-F192 WeakPolarHBondContact O-CD2 3.25Å; S188-F192 PolarHBondContact O-N 3.33Å; C189-F192 CarbonylContact O-C 3.43Å; C189-F192 PolarHBondContact O-N 3.11Å; S190-F192 VanDerWaalsContact C-N 3.25Å; S190-F192 PolarHBondContact O-N 3.23Å; F192-G194 VanDerWaalsContact C-N 3.27Å; F192-G194 PolarHBondContact O-N 3.4Å; F192-A313 HydrophobicContact CE1-CB 4.19Å; F192-A313 HydrophobicContact CZ-CB 4.18Å; F192-I320 HydrophobicContact CE1-CD1 4.43Å; F192-V321 HydrophobicContact CD1-CG1 3.69Å; F192-V321 HydrophobicContact CD2-CG1 4.23Å; F192-V321 HydrophobicContact CE1-CG1 3.5Å; F192-V321 VanDerWaalsContact CE1-CG1 3.5Å; F192-V321 HydrophobicContact CE2-CG1 4.04Å; F192-V321 HydrophobicContact CG-CG1 4.07Å; F192-V321 HydrophobicContact CZ-CG1 3.68Å; F192-F333 HydrophobicContact CD1-CE2 4.19Å; F192-F333 HydrophobicContact CE1-CD2 4.5Å; F192-F333 HydrophobicContact CE1-CE2 4.07Å; F192-D334 HydrophobicContact CB-CB 4.15Å; F192-D334 HydrophobicContact CD1-CB 3.8Å; F192-D334 HydrophobicContact CG-CB 4.49Å; F192-D334 WeakPolarHBondContact O-CB 3.35Å; F192-F335 HydrophobicContact CB-CD2 4.01Å; F192-F335 HydrophobicContact CB-CE2 4.26Å; F192-F335 WeakPolarHBondContact O-CD2 3.37Å; F192-F335 PolarHBondContact O-N 3.4Å; F192-I343 HydrophobicContact CB-CD1 3.99Å; F192-I343 HydrophobicContact CD1-CD1 3.79Å; F192-I343 HydrophobicContact CD1-CG2 4.06Å; F192-I343 HydrophobicContact CE1-CG2 3.87Å; F192-I343 HydrophobicContact CG-CD1 4.05Å; F192-I343 HydrophobicContact CG-CG2 4.44Å; F192-I343 HydrophobicContact CZ-CG2 4.11Å; F192-A345 HydrophobicContact CE2-CB 3.62Å; F192-A345 HydrophobicContact CZ-CB 3.77Å; F192-L361 HydrophobicContact CB-CD1 4.49Å; F192-L361 HydrophobicContact CD2-CD1 3.71Å; F192-L361 HydrophobicContact CE2-CD1 4.38Å; F192-L361 HydrophobicContact CG-CD1 4.4Å
193	N	98.7	Very high	98.6	Very high	79 Å²	79	34.2 Å²	34.2	42%	0.422	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	35	174.2	-59.5	-80.1	0	0	0	114.3	C189 S190 L191 G195 D334 R336	C189-N193 PolarHBondContact O-N 3.14Å; S190-N193 PolarHBondContact O-N 2.91Å; L191-N193 VanDerWaalsContact C-N 3.32Å; N193-G195 VanDerWaalsContact C-N 3.32Å; N193-G195 PolarHBondContact O-N 2.76Å; N193-D334 PolarHBondContact ND2-OD2 3.27Å; N193-R336 HydrophobicContact CB-CG 3.62Å; N193-R336 PolarHBondContact ND2-NE 2.95Å
194	G	98	Very high	98.6	Very high	14 Å²	14	34.9 Å²	34.9	14%	0.144	21%	0.21	C	C	.	.			trans	-74.7	-13.7	-173.4	0	0	0	0	0	116.1	C189 F192 S198	C189-G194 PolarHBondContact O-N 3.48Å; F192-G194 VanDerWaalsContact C-N 3.27Å; F192-G194 PolarHBondContact O-N 3.4Å; G194-S198 WeakPolarHBondContact CA-OG 3.26Å; G194-S198 VanDerWaalsContact O-CB 3.3Å; G194-S198 WeakPolarHBondContact O-CB 2.93Å; G194-S198 PolarHBondContact O-OG 2.94Å
195	G	97.4	Very high	98.6	Very high	40 Å²	40	35.2 Å²	35.2	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	-165.5	-177.5	0	0	0	0	0	113.7	R186 N193 S198	R186-G195 PolarHBondContact NH1-O 3.39Å; N193-G195 VanDerWaalsContact C-N 3.32Å; N193-G195 PolarHBondContact O-N 2.76Å; G195-S198 PolarHBondContact O-OG 2.85Å
196	P	97.5	Very high	98.6	Very high	113 Å²	113	34.9 Å²	34.9	73%	0.734	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-32.3	-172.8	26.7	-33.9	0	0	0	113.4	R186	R186-P196 PolarHBondContact NH2-O 3.08Å
197	N	97.9	Very high	98.6	Very high	101 Å²	101	32.3 Å²	32.3	54%	0.54	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25	-175.8	-66.2	-14.9	0	0	0	113.1	S363	N197-S363 CarbonylContact C-O 3.52Å
198	S	98.8	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.201	C	C	.	.			trans	-64.6	147.5	179.7	74.1	0	0	0	0	111.7	R186 C189 G194 G195 Y362 S363	R186-S198 PolarHBondContact NH1-O 3.43Å; R186-S198 PolarHBondContact NH2-O 3.07Å; R186-S198 VanDerWaalsContact NH2-O 3.07Å; C189-S198 VanDerWaalsContact CB-OG 3.28Å; C189-S198 WeakPolarHBondContact CB-OG 3.3Å; C189-S198 PolarHBondContact SG-OG 3.45Å; G194-S198 WeakPolarHBondContact CA-OG 3.26Å; G194-S198 VanDerWaalsContact O-CB 3.3Å; G194-S198 WeakPolarHBondContact O-CB 2.93Å; G194-S198 PolarHBondContact O-OG 2.94Å; G195-S198 PolarHBondContact O-OG 2.85Å; S198-Y362 CarbonylContact C-O 3.02Å; S198-Y362 WeakPolarHBondContact CA-O 3.37Å; S198-Y362 WeakPolarHBondContact CB-O 3.35Å; S198-S363 PolarHBondContact N-O 2.64Å
199	C	98.9	Very high	98.6	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	177.4	-174.3	68.2	0	0	0	0	110.2	L361 Y362 K365 R368	C199-L361 CarbonylContact O-C 3.57Å; C199-L361 WeakPolarHBondContact O-CA 3.06Å; C199-Y362 PolarHBondContact N-O 3.39Å; C199-Y362 PolarHBondContact O-N 3.37Å; C199-K365 HydrophobicContact CB-CG 4.29Å; C199-R368 VanDerWaalsContact CB-CZ 3.49Å; C199-R368 PolarHBondContact SG-NE 2.94Å
200	G	98.8	Very high	98.6	Very high	4 Å²	4	30.8 Å²	30.8	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-169.4	-178.8	0	0	0	0	0	112.8	I360 R368	G200-I360 CarbonylContact C-O 3.56Å; G200-I360 WeakPolarHBondContact CA-O 3.23Å; G200-R368 PolarHBondContact O-NH1 3.34Å
201	T	98.8	Very high	98.6	Very high	10 Å²	10	28 Å²	28	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.8	174.7	56	0	0	0	0	110.4	I360 Q371 Y372 P386	T201-I360 PolarHBondContact N-O 2.67Å; T201-I360 PolarHBondContact O-N 3.21Å; T201-I360 VanDerWaalsContact O-N 3.13Å; T201-I360 VanDerWaalsContact OG1-CG2 3.25Å; T201-I360 WeakPolarHBondContact OG1-CG2 3.42Å; T201-Q371 PolarHBondContact OG1-NE2 3.17Å; T201-Y372 HydrophobicContact CG2-CE1 4.33Å; T201-P386 HydrophobicContact CG2-CB 3.89Å
202	V	98.9	Very high	98.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143	166.4	177.6	0	0	0	0	108.7	E181 V184 V185 S358 V359 I397	E181-V202 HydrophobicContact CG-CB 3.83Å; E181-V202 HydrophobicContact CG-CG2 3.53Å; V184-V202 HydrophobicContact CB-CG2 4.24Å; V184-V202 HydrophobicContact CG1-CG2 3.86Å; V185-V202 HydrophobicContact CG2-CG2 4.03Å; V202-S358 CarbonylContact C-O 3.47Å; V202-S358 WeakPolarHBondContact CA-O 3.47Å; V202-S358 WeakPolarHBondContact CG1-O 3.39Å; V202-V359 HydrophobicContact CG2-CG1 4.26Å; V202-I397 HydrophobicContact CG1-CG1 4.36Å
203	T	98.9	Very high	98.6	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	169.2	175.7	67.2	0	0	0	0	110	G205 E208 S209 M212 S357 S358 I360	T203-G205 PolarHBondContact O-N 2.93Å; T203-G205 PolarHBondContact OG1-O 3.43Å; T203-E208 HydrophobicContact CG2-CG 4.18Å; T203-S209 PolarHBondContact OG1-OG 2.92Å; T203-M212 HydrophobicContact CG2-CG 4.47Å; T203-S357 CarbonylContact O-C 3.56Å; T203-S357 WeakPolarHBondContact O-CA 3.32Å; T203-S358 PolarHBondContact N-O 2.86Å; T203-S358 PolarHBondContact O-N 2.58Å; T203-I360 HydrophobicContact CG2-CG2 3.82Å
204	S	98.5	Very high	98.6	Very high	74 Å²	74	22.5 Å²	22.5	52%	0.517	15%	0.152	S	C	.	.	S	Bend	trans	-70	-13.5	178.7	62	0	0	0	0	114	E208 G356 S357	S204-E208 WeakPolarHBondContact CB-OE2 3.41Å; S204-E208 PolarHBondContact N-OE2 3.01Å; S204-E208 PolarHBondContact OG-OE2 3.43Å; S204-G356 WeakPolarHBondContact CA-O 3.24Å; S204-G356 CarbonylContact O-C 3.57Å; S204-G356 WeakPolarHBondContact O-CA 3.08Å; S204-S357 PolarHBondContact O-N 3.22Å
205	G	98.6	Very high	98.6	Very high	8 Å²	8	23.5 Å²	23.5	8%	0.082	15%	0.152	C	C	.	.	S	Bend	trans	166.8	173.1	-178.5	0	0	0	0	0	112.8	T203 T207 E208 S209 S358	T203-G205 PolarHBondContact O-N 2.93Å; T203-G205 PolarHBondContact OG1-O 3.43Å; G205-T207 PolarHBondContact O-N 2.89Å; G205-E208 PolarHBondContact O-N 3.24Å; G205-S209 PolarHBondContact O-N 3.42Å; G205-S358 VanDerWaalsContact CA-CB 3.44Å
206	G	98.6	Very high	98.7	Very high	6 Å²	6	21.6 Å²	21.6	6%	0.062	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-33.6	-176.8	0	0	0	0	0	113.9	E208 S209 I210 C314 D346	G206-E208 PolarHBondContact O-N 3.44Å; G206-S209 PolarHBondContact O-N 3.17Å; G206-I210 WeakPolarHBondContact O-CG1 3.46Å; G206-I210 PolarHBondContact O-N 2.99Å; G206-C314 VanDerWaalsContact CA-SG 3.51Å; G206-D346 WeakPolarHBondContact CA-OD1 3.46Å; G206-D346 PolarHBondContact N-OD1 3.08Å
207	T	98.8	Very high	98.8	Very high	50 Å²	50	16.2 Å²	16.2	31%	0.307	10%	0.097	S	C	.	.	H	α-helix	trans	-58.8	-48.8	172.9	-61.9	0	0	0	0	111.4	G205 S209 I210 L211 A240 K243	G205-T207 PolarHBondContact O-N 2.89Å; T207-S209 VanDerWaalsContact C-N 3.35Å; T207-I210 PolarHBondContact O-N 3.17Å; T207-L211 HydrophobicContact CG2-CD1 4.04Å; T207-L211 HydrophobicContact CG2-CG 4.45Å; T207-L211 WeakPolarHBondContact O-CB 3.42Å; T207-L211 WeakPolarHBondContact O-CG 3.29Å; T207-L211 PolarHBondContact O-N 3.21Å; T207-A240 HydrophobicContact CG2-CB 4.07Å; T207-K243 HydrophobicContact CG2-CD 4.21Å
208	E	98.9	Very high	98.8	Very high	14 Å²	14	14.1 Å²	14.1	7%	0.065	8%	0.082	C	C	.	.	H	α-helix	trans	-65.4	-39.9	177.2	-173.6	-177.9	176.7	0	0	110.9	T203 S204 G205 G206 I210 L211 M212 S387 V388	T203-E208 HydrophobicContact CG2-CG 4.18Å; S204-E208 WeakPolarHBondContact CB-OE2 3.41Å; S204-E208 PolarHBondContact N-OE2 3.01Å; S204-E208 PolarHBondContact OG-OE2 3.43Å; G205-E208 PolarHBondContact O-N 3.24Å; G206-E208 PolarHBondContact O-N 3.44Å; E208-I210 PolarHBondContact O-N 3.4Å; E208-L211 WeakPolarHBondContact O-CB 3.19Å; E208-L211 PolarHBondContact O-N 2.96Å; E208-M212 HydrophobicContact CG-CG 4.23Å; E208-M212 VanDerWaalsContact O-CG 3.29Å; E208-M212 WeakPolarHBondContact O-CG 3.43Å; E208-M212 PolarHBondContact O-N 2.84Å; E208-S387 WeakPolarHBondContact OE1-CB 3.41Å; E208-S387 PolarHBondContact OE1-OG 2.81Å; E208-V388 HydrophobicContact CG-CB 4.3Å; E208-V388 HydrophobicContact CG-CG2 3.78Å; E208-V388 WeakPolarHBondContact OE1-CB 3.3Å; E208-V388 PolarHBondContact OE1-N 3.5Å
209	S	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.6	-45.8	176	-67.7	0	0	0	0	112.9	T203 G205 G206 T207 M212 A213 S358 V359	T203-S209 PolarHBondContact OG1-OG 2.92Å; G205-S209 PolarHBondContact O-N 3.42Å; G206-S209 PolarHBondContact O-N 3.17Å; T207-S209 VanDerWaalsContact C-N 3.35Å; S209-M212 PolarHBondContact O-N 3.38Å; S209-A213 PolarHBondContact O-N 3.34Å; S209-A213 VanDerWaalsContact O-N 3.11Å; S209-S358 PolarHBondContact OG-OG 3.12Å; S209-V359 PolarHBondContact OG-O 3.02Å
210	I	98.9	Very high	98.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-44.2	175.6	-72.1	166.7	0	0	0	110.7	G206 T207 E208 M212 A213 C214 H238 A240 F241	G206-I210 WeakPolarHBondContact O-CG1 3.46Å; G206-I210 PolarHBondContact O-N 2.99Å; T207-I210 PolarHBondContact O-N 3.17Å; E208-I210 PolarHBondContact O-N 3.4Å; I210-M212 VanDerWaalsContact C-N 3.35Å; I210-M212 PolarHBondContact O-N 2.94Å; I210-A213 PolarHBondContact O-N 2.91Å; I210-C214 PolarHBondContact O-N 3.31Å; I210-C214 PolarHBondContact O-SG 3.44Å; I210-H238 HydrophobicContact CD1-CB 4.09Å; I210-A240 HydrophobicContact CB-CB 4.11Å; I210-A240 HydrophobicContact CD1-CB 3.88Å; I210-A240 HydrophobicContact CG2-CB 3.89Å; I210-F241 HydrophobicContact CB-CZ 4.44Å; I210-F241 HydrophobicContact CD1-CE2 3.89Å; I210-F241 HydrophobicContact CD1-CZ 4.21Å; I210-F241 HydrophobicContact CG1-CE2 4.21Å; I210-F241 HydrophobicContact CG1-CZ 4.02Å; I210-F241 HydrophobicContact CG2-CD1 3.74Å; I210-F241 HydrophobicContact CG2-CD2 4.12Å; I210-F241 HydrophobicContact CG2-CE1 3.56Å; I210-F241 HydrophobicContact CG2-CE2 3.94Å; I210-F241 HydrophobicContact CG2-CG 4.01Å; I210-F241 HydrophobicContact CG2-CZ 3.65Å
211	L	98.9	Very high	98.7	Very high	15 Å²	15	16.9 Å²	16.9	8%	0.079	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-45	177.5	-71.7	172.2	0	0	0	111.4	T207 E208 A213 C214 K215 A244 Y247 F248	T207-L211 HydrophobicContact CG2-CD1 4.04Å; T207-L211 HydrophobicContact CG2-CG 4.45Å; T207-L211 WeakPolarHBondContact O-CB 3.42Å; T207-L211 WeakPolarHBondContact O-CG 3.29Å; T207-L211 PolarHBondContact O-N 3.21Å; E208-L211 WeakPolarHBondContact O-CB 3.19Å; E208-L211 PolarHBondContact O-N 2.96Å; L211-A213 PolarHBondContact O-N 3.27Å; L211-C214 PolarHBondContact O-N 2.97Å; L211-K215 WeakPolarHBondContact O-CB 3.42Å; L211-K215 PolarHBondContact O-N 2.83Å; L211-A244 VanDerWaalsContact CD2-CA 3.45Å; L211-A244 HydrophobicContact CD2-CB 3.66Å; L211-Y247 HydrophobicContact CD2-CD2 4.31Å; L211-F248 HydrophobicContact CB-CE2 3.86Å; L211-F248 HydrophobicContact CB-CZ 4Å; L211-F248 HydrophobicContact CD2-CD2 4.47Å; L211-F248 HydrophobicContact CD2-CE2 3.58Å; L211-F248 HydrophobicContact CD2-CZ 3.99Å; L211-F248 HydrophobicContact CG-CE2 4.33Å; L211-F248 WeakPolarHBondContact O-CE2 3.12Å
212	M	98.9	Very high	98.7	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.039	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-41.9	178.4	-66.7	-48	-60.7	0	0	112	T203 E208 S209 I210 K215 A216 I360 Y362 Q371 V388	T203-M212 HydrophobicContact CG2-CG 4.47Å; E208-M212 HydrophobicContact CG-CG 4.23Å; E208-M212 VanDerWaalsContact O-CG 3.29Å; E208-M212 WeakPolarHBondContact O-CG 3.43Å; E208-M212 PolarHBondContact O-N 2.84Å; S209-M212 PolarHBondContact O-N 3.38Å; I210-M212 VanDerWaalsContact C-N 3.35Å; I210-M212 PolarHBondContact O-N 2.94Å; M212-K215 PolarHBondContact O-N 3.47Å; M212-A216 WeakPolarHBondContact O-CB 3.48Å; M212-A216 PolarHBondContact O-N 3.13Å; M212-I360 HydrophobicContact CB-CG2 4.31Å; M212-Y362 PolarHBondContact O-OH 2.96Å; M212-Q371 HydrophobicContact CE-CB 3.68Å; M212-Q371 HydrophobicContact CE-CG 3.59Å; M212-Q371 WeakPolarHBondContact CE-O 3.34Å; M212-V388 HydrophobicContact SD-CG2 3.69Å
213	A	98.9	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-46.6	175.4	0	0	0	0	0	111.8	S209 I210 L211 A216 Y217 I360	S209-A213 PolarHBondContact O-N 3.34Å; S209-A213 VanDerWaalsContact O-N 3.11Å; I210-A213 PolarHBondContact O-N 2.91Å; L211-A213 PolarHBondContact O-N 3.27Å; A213-A216 PolarHBondContact O-N 3.15Å; A213-Y217 HydrophobicContact CB-CE2 4.49Å; A213-Y217 WeakPolarHBondContact O-CD2 3.36Å; A213-Y217 PolarHBondContact O-N 3.45Å; A213-I360 HydrophobicContact CB-CD1 3.88Å
214	C	98.9	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-44.1	178.5	-64	0	0	0	0	111.6	I210 L211 Y217 R218 I231 A244 F248 M250 M279	I210-C214 PolarHBondContact O-N 3.31Å; I210-C214 PolarHBondContact O-SG 3.44Å; L211-C214 PolarHBondContact O-N 2.97Å; C214-Y217 PolarHBondContact O-N 2.84Å; C214-R218 VanDerWaalsContact O-CB 3.3Å; C214-R218 WeakPolarHBondContact O-CB 3.31Å; C214-R218 PolarHBondContact O-N 3.49Å; C214-I231 HydrophobicContact CB-CD1 4.41Å; C214-A244 HydrophobicContact CB-CB 3.7Å; C214-F248 HydrophobicContact CB-CD2 4.3Å; C214-M250 HydrophobicContact CB-SD 4.22Å; C214-M279 HydrophobicContact CB-SD 4.18Å
215	K	98.8	Very high	98.1	Very high	34 Å²	34	31 Å²	31	15%	0.148	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-46.6	176.5	-174.9	-88.6	-175	-175.1	0	111.3	L211 M212 Y217 R218 D219 F248 Y370 Q371 Y372	L211-K215 WeakPolarHBondContact O-CB 3.42Å; L211-K215 PolarHBondContact O-N 2.83Å; M212-K215 PolarHBondContact O-N 3.47Å; K215-Y217 PolarHBondContact O-N 2.89Å; K215-R218 WeakPolarHBondContact O-CB 3.39Å; K215-R218 PolarHBondContact O-N 3.32Å; K215-D219 WeakPolarHBondContact CD-OD2 3.48Å; K215-D219 WeakPolarHBondContact CE-OD2 3.5Å; K215-D219 IonicContact NZ-OD2 2.92Å; K215-D219 PolarHBondContact NZ-OD2 2.96Å; K215-D219 PolarHBondContact O-N 2.85Å; K215-F248 HydrophobicContact CB-CD2 4.25Å; K215-F248 HydrophobicContact CB-CE1 4.39Å; K215-F248 HydrophobicContact CB-CE2 3.99Å; K215-F248 HydrophobicContact CB-CZ 4.07Å; K215-F248 HydrophobicContact CG-CE1 4.46Å; K215-Y370 WeakPolarHBondContact CD-O 3.08Å; K215-Y370 PolarHBondContact NZ-O 3.28Å; K215-Q371 PolarHBondContact NZ-O 3.46Å; K215-Y372 PolarHBondContact NZ-O 3.25Å
216	A	98.9	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-47.2	179.1	0	0	0	0	0	111.7	M212 A213 D219 M220 Y362 Y370 Q371	M212-A216 WeakPolarHBondContact O-CB 3.48Å; M212-A216 PolarHBondContact O-N 3.13Å; A213-A216 PolarHBondContact O-N 3.15Å; A216-D219 PolarHBondContact O-N 3.32Å; A216-M220 WeakPolarHBondContact O-CB 3.47Å; A216-M220 PolarHBondContact O-N 2.91Å; A216-Y362 HydrophobicContact CB-CE1 4.29Å; A216-Y370 WeakPolarHBondContact O-CB 3.32Å; A216-Q371 HydrophobicContact CB-CB 3.93Å
217	Y	98.9	Very high	97.6	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-74.5	-29.1	-179.6	-61.1	-36.4	0	0	0	113.8	A213 C214 K215 A221 M279 P308 H310 T341 S342 Y367	A213-Y217 HydrophobicContact CB-CE2 4.49Å; A213-Y217 WeakPolarHBondContact O-CD2 3.36Å; A213-Y217 PolarHBondContact O-N 3.45Å; C214-Y217 PolarHBondContact O-N 2.84Å; K215-Y217 PolarHBondContact O-N 2.89Å; Y217-A221 VanDerWaalsContact O-CB 3.31Å; Y217-A221 WeakPolarHBondContact O-CB 3.28Å; Y217-A221 PolarHBondContact O-N 3.31Å; Y217-M279 HydrophobicContact CD2-CB 3.75Å; Y217-M279 HydrophobicContact CD2-CE 3.81Å; Y217-M279 HydrophobicContact CD2-CG 4.45Å; Y217-M279 HydrophobicContact CD2-SD 3.9Å; Y217-M279 HydrophobicContact CE2-CE 4.29Å; Y217-M279 HydrophobicContact CG-CB 4.23Å; Y217-P308 HydrophobicContact CD1-CB 3.55Å; Y217-P308 HydrophobicContact CD1-CG 3.57Å; Y217-P308 HydrophobicContact CD2-CB 3.95Å; Y217-P308 HydrophobicContact CE1-CB 3.44Å; Y217-P308 VanDerWaalsContact CE1-CB 3.44Å; Y217-P308 HydrophobicContact CE1-CG 3.81Å; Y217-P308 HydrophobicContact CE2-CB 3.83Å; Y217-P308 HydrophobicContact CG-CB 3.81Å; Y217-P308 HydrophobicContact CG-CG 4.05Å; Y217-H310 HydrophobicContact CE2-CB 4.23Å; Y217-T341 VanDerWaalsContact OH-C 3.3Å; Y217-T341 WeakPolarHBondContact OH-CB 3.35Å; Y217-T341 PolarHBondContact OH-OG1 3.42Å; Y217-S342 WeakPolarHBondContact CE2-OG 3.48Å; Y217-S342 WeakPolarHBondContact OH-CB 3.12Å; Y217-S342 PolarHBondContact OH-N 2.94Å; Y217-S342 PolarHBondContact OH-OG 2.97Å; Y217-Y367 AromaticContact CE1-CD1 3.88Å; Y217-Y367 HydrophobicContact CE1-CD1 3.88Å; Y217-Y367 HydrophobicContact CE1-CG 4.27Å
218	R	98.7	Very high	97.2	Very high	56 Å²	56	38.7 Å²	38.7	21%	0.211	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-52.7	167.2	-177.1	-157.2	64	-176.1	-2.3	110.7	C214 K215 M220 A221 C222 P229 F248 M250	C214-R218 VanDerWaalsContact O-CB 3.3Å; C214-R218 WeakPolarHBondContact O-CB 3.31Å; C214-R218 PolarHBondContact O-N 3.49Å; K215-R218 WeakPolarHBondContact O-CB 3.39Å; K215-R218 PolarHBondContact O-N 3.32Å; R218-M220 VanDerWaalsContact C-N 3.32Å; R218-M220 PolarHBondContact O-N 3.33Å; R218-A221 PolarHBondContact O-N 2.97Å; R218-A221 VanDerWaalsContact O-N 3.11Å; R218-C222 PolarHBondContact O-N 2.81Å; R218-C222 PolarHBondContact O-SG 2.97Å; R218-P229 HydrophobicContact CG-CB 4.13Å; R218-P229 HydrophobicContact CG-CG 3.82Å; R218-F248 WeakPolarHBondContact CD-O 3.49Å; R218-F248 PolarHBondContact NH1-O 3.48Å; R218-M250 HydrophobicContact CB-CE 3.88Å; R218-M250 HydrophobicContact CB-CG 4.29Å; R218-M250 HydrophobicContact CB-SD 3.79Å; R218-M250 HydrophobicContact CG-CE 4.45Å; R218-M250 HydrophobicContact CG-CG 4.07Å; R218-M250 HydrophobicContact CG-SD 4.24Å
219	D	98.6	Very high	97.2	Very high	39 Å²	39	38.2 Å²	38.2	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-40.8	-175	-70.8	-0.3	0	0	0	111.1	K215 A216 A221 C222 E223 Y370	K215-D219 WeakPolarHBondContact CD-OD2 3.48Å; K215-D219 WeakPolarHBondContact CE-OD2 3.5Å; K215-D219 IonicContact NZ-OD2 2.92Å; K215-D219 PolarHBondContact NZ-OD2 2.96Å; K215-D219 PolarHBondContact O-N 2.85Å; A216-D219 PolarHBondContact O-N 3.32Å; D219-A221 VanDerWaalsContact C-N 3.33Å; D219-A221 PolarHBondContact O-N 3.11Å; D219-C222 PolarHBondContact O-N 3.4Å; D219-E223 PolarHBondContact O-N 3.42Å; D219-Y370 HydrophobicContact CB-CD1 3.94Å; D219-Y370 HydrophobicContact CB-CG 4.5Å
220	M	98.3	Very high	97.2	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-39.3	173	-164	-171.5	81.7	0	0	112.5	A216 R218 R224 P308 Y367 Y370	A216-M220 WeakPolarHBondContact O-CB 3.47Å; A216-M220 PolarHBondContact O-N 2.91Å; R218-M220 VanDerWaalsContact C-N 3.32Å; R218-M220 PolarHBondContact O-N 3.33Å; M220-R224 WeakPolarHBondContact O-CG 3.4Å; M220-R224 PolarHBondContact O-N 3.21Å; M220-P308 HydrophobicContact CE-CG 3.31Å; M220-P308 HydrophobicContact SD-CG 4.42Å; M220-Y367 HydrophobicContact SD-CD1 3.82Å; M220-Y367 HydrophobicContact SD-CE1 3.82Å; M220-Y370 HydrophobicContact CB-CD1 4.26Å; M220-Y370 HydrophobicContact CB-CD2 4.09Å; M220-Y370 HydrophobicContact CB-CE1 4.28Å; M220-Y370 HydrophobicContact CB-CE2 4.13Å; M220-Y370 HydrophobicContact CB-CG 4.17Å; M220-Y370 HydrophobicContact CG-CD2 4.22Å; M220-Y370 HydrophobicContact CG-CE1 4.49Å; M220-Y370 HydrophobicContact CG-CE2 3.83Å
221	A	98.1	Very high	97.1	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-38.9	175.7	0	0	0	0	0	112.3	Y217 R218 D219 E223 R224 G225 V226 P229 A278	Y217-A221 VanDerWaalsContact O-CB 3.31Å; Y217-A221 WeakPolarHBondContact O-CB 3.28Å; Y217-A221 PolarHBondContact O-N 3.31Å; R218-A221 PolarHBondContact O-N 2.97Å; R218-A221 VanDerWaalsContact O-N 3.11Å; D219-A221 VanDerWaalsContact C-N 3.33Å; D219-A221 PolarHBondContact O-N 3.11Å; A221-E223 VanDerWaalsContact C-N 3.33Å; A221-E223 PolarHBondContact O-N 3.03Å; A221-R224 CarbonylContact O-C 3.35Å; A221-R224 WeakPolarHBondContact O-CB 3.38Å; A221-R224 PolarHBondContact O-N 3.44Å; A221-R224 VanDerWaalsContact O-N 3.17Å; A221-G225 PolarHBondContact O-N 3.1Å; A221-V226 HydrophobicContact CB-CB 4.1Å; A221-V226 HydrophobicContact CB-CG2 4.24Å; A221-V226 VanDerWaalsContact O-CB 3.26Å; A221-V226 WeakPolarHBondContact O-CB 3.02Å; A221-V226 WeakPolarHBondContact O-CG2 3.46Å; A221-V226 PolarHBondContact O-N 2.97Å; A221-P229 HydrophobicContact CB-CG 4.43Å; A221-A278 HydrophobicContact CB-CB 3.58Å
222	C	97.7	Very high	97.1	Very high	58 Å²	58	38.1 Å²	38.1	39%	0.392	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-41.3	175.3	-71.5	0	0	0	0	111.6	R218 D219 R224 G225	R218-C222 PolarHBondContact O-N 2.81Å; R218-C222 PolarHBondContact O-SG 2.97Å; D219-C222 PolarHBondContact O-N 3.4Å; C222-R224 PolarHBondContact O-N 3.34Å; C222-G225 WeakPolarHBondContact O-CA 3.23Å; C222-G225 PolarHBondContact O-N 3.05Å
223	E	97	Very high	97.1	Very high	139 Å²	139	37.7 Å²	37.7	65%	0.65	20%	0.199	S	C	*	.	H	α-helix	trans	-62.3	-33	175.2	-168.9	179.4	-102.5	0	0	112	D219 A221 G225 Y370	D219-E223 PolarHBondContact O-N 3.42Å; A221-E223 VanDerWaalsContact C-N 3.33Å; A221-E223 PolarHBondContact O-N 3.03Å; E223-G225 PolarHBondContact O-N 3.38Å; E223-Y370 HydrophobicContact CB-CE1 4.49Å; E223-Y370 PolarHBondContact OE2-OH 2.91Å
224	R	92.7	Very high	97.1	Very high	135 Å²	135	37.7 Å²	37.7	51%	0.509	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	0.5	170.5	-68.3	168.6	50.7	170.2	-3	114.1	M220 A221 C222 D306	M220-R224 WeakPolarHBondContact O-CG 3.4Å; M220-R224 PolarHBondContact O-N 3.21Å; A221-R224 CarbonylContact O-C 3.35Å; A221-R224 WeakPolarHBondContact O-CB 3.38Å; A221-R224 PolarHBondContact O-N 3.44Å; A221-R224 VanDerWaalsContact O-N 3.17Å; C222-R224 PolarHBondContact O-N 3.34Å; R224-D306 PolarHBondContact NH1-O 3Å
225	G	95.1	Very high	97.1	Very high	57 Å²	57	41.5 Å²	41.5	59%	0.588	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	11.7	179.5	0	0	0	0	0	115.6	A221 C222 E223 T227	A221-G225 PolarHBondContact O-N 3.1Å; C222-G225 WeakPolarHBondContact O-CA 3.23Å; C222-G225 PolarHBondContact O-N 3.05Å; E223-G225 PolarHBondContact O-N 3.38Å; G225-T227 PolarHBondContact O-N 2.93Å
226	V	94.8	Very high	97.1	Very high	15 Å²	15	40 Å²	40	9%	0.091	22%	0.216	C	C	.	.			trans	-80.1	111.7	177.5	-178.8	0	0	0	0	110.7	A221 P229 N276	A221-V226 HydrophobicContact CB-CB 4.1Å; A221-V226 HydrophobicContact CB-CG2 4.24Å; A221-V226 VanDerWaalsContact O-CB 3.26Å; A221-V226 WeakPolarHBondContact O-CB 3.02Å; A221-V226 WeakPolarHBondContact O-CG2 3.46Å; A221-V226 PolarHBondContact O-N 2.97Å; V226-P229 HydrophobicContact CG1-CB 4.43Å; V226-P229 HydrophobicContact CG1-CG 4.06Å; V226-N276 HydrophobicContact CG1-CB 4.02Å
227	T	90.4	Very high	97	Very high	111 Å²	111	40.6 Å²	40.6	68%	0.681	22%	0.219	S	C	*	.	S	Bend	trans	-77.8	-30.2	179.6	-42.8	0	0	0	0	113.9	G225	G225-T227 PolarHBondContact O-N 2.93Å
228	F	91.8	Very high	97	Very high	99 Å²	99	43.7 Å²	43.7	43%	0.434	23%	0.233	S	C	.	.	S	Bend	trans	-127.8	75.5	-178.3	-62	-76.7	0	0	0	110.9	N276	F228-N276 WeakPolarHBondContact O-CB 3.23Å
229	P	97.4	Very high	97	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.032	25%	0.25	C	C	.	.			trans	-56.1	136.1	-177.6	-30.4	40.3	0	0	0	113.4	R218 A221 V226 M250 K251 N276 A278	R218-P229 HydrophobicContact CG-CB 4.13Å; R218-P229 HydrophobicContact CG-CG 3.82Å; A221-P229 HydrophobicContact CB-CG 4.43Å; V226-P229 HydrophobicContact CG1-CB 4.43Å; V226-P229 HydrophobicContact CG1-CG 4.06Å; P229-M250 HydrophobicContact CB-CE 3.86Å; P229-M250 HydrophobicContact CB-CG 4.29Å; P229-M250 CarbonylContact O-C 3.56Å; P229-M250 VanDerWaalsContact O-CA 3.29Å; P229-M250 WeakPolarHBondContact O-CA 3.48Å; P229-M250 WeakPolarHBondContact O-CB 3.22Å; P229-K251 PolarHBondContact O-N 3.04Å; P229-N276 CarbonylContact C-O 3.59Å; P229-N276 WeakPolarHBondContact CA-O 3.46Å; P229-A278 HydrophobicContact CB-CB 3.81Å
230	E	98.5	Very high	97	Very high	13 Å²	13	42.5 Å²	42.5	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.1	178.9	-59	-177.7	151.5	0	0	111.7	L232 K251 S274 N276 A278 M279	E230-L232 HydrophobicContact CB-CD1 3.92Å; E230-K251 CarbonylContact C-O 3.02Å; E230-K251 VanDerWaalsContact CA-O 3.23Å; E230-K251 WeakPolarHBondContact CA-O 3.49Å; E230-K251 HydrophobicContact CG-CB 4.18Å; E230-K251 HydrophobicContact CG-CD 4.21Å; E230-K251 HydrophobicContact CG-CG 4.44Å; E230-K251 WeakPolarHBondContact OE1-CD 3.27Å; E230-K251 IonicContact OE1-NZ 2.79Å; E230-K251 PolarHBondContact OE1-NZ 3.31Å; E230-S274 PolarHBondContact OE2-OG 3.03Å; E230-N276 HydrophobicContact CG-CB 3.8Å; E230-N276 PolarHBondContact N-O 3.04Å; E230-A278 PolarHBondContact O-N 3.37Å; E230-M279 PolarHBondContact O-N 2.97Å
231	I	98.8	Very high	97	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.3	168	-53.2	174.8	0	0	0	106.9	C214 A233 F241 A244 A245 M250 K251 L252 V253 M279 V281	C214-I231 HydrophobicContact CB-CD1 4.41Å; I231-A233 HydrophobicContact CG2-CB 4.22Å; I231-F241 HydrophobicContact CG2-CD1 4.22Å; I231-A244 HydrophobicContact CD1-CB 4.49Å; I231-A245 HydrophobicContact CD1-CB 4.4Å; I231-M250 HydrophobicContact CD1-CB 4.22Å; I231-M250 HydrophobicContact CD1-CE 4.13Å; I231-M250 HydrophobicContact CD1-SD 3.79Å; I231-M250 HydrophobicContact CG1-CB 4.16Å; I231-M250 HydrophobicContact CG1-CE 3.51Å; I231-M250 HydrophobicContact CG1-SD 3.87Å; I231-K251 PolarHBondContact N-O 3.11Å; I231-L252 HydrophobicContact CB-CD1 3.73Å; I231-L252 HydrophobicContact CG2-CD1 3.65Å; I231-V253 PolarHBondContact O-N 2.96Å; I231-M279 HydrophobicContact CB-CG 4.25Å; I231-M279 HydrophobicContact CG1-CG 4.14Å; I231-M279 HydrophobicContact CG1-SD 4.11Å; I231-M279 HydrophobicContact CG2-CG 3.91Å; I231-M279 HydrophobicContact CG2-SD 4.18Å; I231-V281 HydrophobicContact CG2-CG2 3.86Å
232	L	98.9	Very high	97	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.9	173	-86.6	56.9	0	0	0	108.9	E230 V253 A272 I273 T277 M279 L280 V281	E230-L232 HydrophobicContact CB-CD1 3.92Å; L232-V253 HydrophobicContact CD1-CB 3.96Å; L232-V253 HydrophobicContact CD1-CG2 4.08Å; L232-V253 HydrophobicContact CG-CB 4.19Å; L232-A272 HydrophobicContact CD2-CB 3.95Å; L232-A272 HydrophobicContact CG-CB 4.33Å; L232-I273 HydrophobicContact CD2-CB 4.33Å; L232-I273 HydrophobicContact CD2-CG1 3.71Å; L232-T277 HydrophobicContact CD1-CG2 3.87Å; L232-T277 HydrophobicContact CD2-CG2 4.01Å; L232-T277 HydrophobicContact CG-CG2 4.37Å; L232-M279 PolarHBondContact N-O 3.31Å; L232-L280 HydrophobicContact CB-CD2 3.77Å; L232-L280 HydrophobicContact CD2-CD2 3.94Å; L232-L280 WeakPolarHBondContact O-CA 3.46Å; L232-V281 PolarHBondContact O-N 3.21Å
233	A	98.8	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.5	-171.5	0	0	0	0	0	111.4	I231 V237 L252 V253 H254 I255 V281	I231-A233 HydrophobicContact CG2-CB 4.22Å; A233-V237 HydrophobicContact CB-CB 4.4Å; A233-V237 HydrophobicContact CB-CG1 3.87Å; A233-V237 HydrophobicContact CB-CG2 3.79Å; A233-L252 HydrophobicContact CB-CD1 3.83Å; A233-V253 PolarHBondContact N-O 2.97Å; A233-V253 VanDerWaalsContact N-O 3.1Å; A233-H254 CarbonylContact O-C 3.58Å; A233-H254 VanDerWaalsContact O-CA 3.27Å; A233-H254 WeakPolarHBondContact O-CA 3.49Å; A233-I255 PolarHBondContact O-N 3.44Å; A233-V281 HydrophobicContact CB-CB 3.78Å; A233-V281 HydrophobicContact CB-CG1 4.38Å; A233-V281 HydrophobicContact CB-CG2 3.99Å
234	P	98.6	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	148.2	171.3	-12.4	12.3	0	0	0	112.8	S236 V237 I255 L257 V264 V281 D293	P234-S236 PolarHBondContact O-N 3.01Å; P234-V237 HydrophobicContact CB-CG1 4.1Å; P234-V237 VanDerWaalsContact CD-CG1 3.46Å; P234-V237 HydrophobicContact CG-CG1 3.78Å; P234-V237 WeakPolarHBondContact O-CG1 3.28Å; P234-V237 VanDerWaalsContact O-CG2 3.28Å; P234-V237 WeakPolarHBondContact O-CG2 3.37Å; P234-V237 PolarHBondContact O-N 2.8Å; P234-I255 CarbonylContact C-O 3.54Å; P234-I255 WeakPolarHBondContact CA-O 3.35Å; P234-L257 HydrophobicContact CB-CD2 3.9Å; P234-V264 HydrophobicContact CB-CB 3.83Å; P234-V264 HydrophobicContact CB-CG2 3.77Å; P234-V264 HydrophobicContact CG-CB 3.7Å; P234-V264 HydrophobicContact CG-CG1 4.21Å; P234-V264 HydrophobicContact CG-CG2 3.74Å; P234-V281 WeakPolarHBondContact CD-O 3.21Å; P234-D293 WeakPolarHBondContact CG-OD2 3.47Å
235	V	98.2	Very high	97.4	Very high	79 Å²	79	33.5 Å²	33.5	48%	0.479	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.2	172.5	-69.5	0	0	0	0	113.7	H254 I255 L257	V235-H254 HydrophobicContact CG1-CB 3.72Å; V235-I255 PolarHBondContact N-O 3.3Å; V235-L257 HydrophobicContact CG2-CD1 4.03Å; V235-L257 HydrophobicContact CG2-CD2 3.92Å; V235-L257 HydrophobicContact CG2-CG 3.52Å
236	S	98.4	Very high	97.4	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.028	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.1	178.9	54.6	0	0	0	0	115.2	P234 Q286 P288	P234-S236 PolarHBondContact O-N 3.01Å; S236-Q286 VanDerWaalsContact CB-CD 3.43Å; S236-P288 WeakPolarHBondContact O-CD 3.27Å
237	V	98.4	Very high	97.6	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	23%	0.227	C	C	.	.	S	Bend	trans	-64.2	161.3	179.6	-62.9	0	0	0	0	111.6	A233 P234 F241 V281	A233-V237 HydrophobicContact CB-CB 4.4Å; A233-V237 HydrophobicContact CB-CG1 3.87Å; A233-V237 HydrophobicContact CB-CG2 3.79Å; P234-V237 HydrophobicContact CB-CG1 4.1Å; P234-V237 VanDerWaalsContact CD-CG1 3.46Å; P234-V237 HydrophobicContact CG-CG1 3.78Å; P234-V237 WeakPolarHBondContact O-CG1 3.28Å; P234-V237 VanDerWaalsContact O-CG2 3.28Å; P234-V237 WeakPolarHBondContact O-CG2 3.37Å; P234-V237 PolarHBondContact O-N 2.8Å; V237-F241 HydrophobicContact CB-CD2 3.64Å; V237-F241 HydrophobicContact CB-CE2 4.01Å; V237-F241 HydrophobicContact CG1-CD2 4.48Å; V237-F241 HydrophobicContact CG2-CB 4.07Å; V237-F241 HydrophobicContact CG2-CD2 3.64Å; V237-F241 HydrophobicContact CG2-CE2 4.47Å; V237-F241 HydrophobicContact CG2-CG 4.09Å; V237-V281 HydrophobicContact CG1-CB 4.48Å; V237-V281 HydrophobicContact CG1-CG1 3.79Å
238	H	98.6	Very high	98	Very high	65 Å²	65	40.7 Å²	40.7	30%	0.301	20%	0.204	S	C	.	.			trans	-60.9	141.9	177.9	-166.1	-92.6	0	0	0	111.8	I210 A240 F241	I210-H238 HydrophobicContact CD1-CB 4.09Å; H238-A240 WeakPolarHBondContact ND1-CB 3.3Å; H238-A240 PolarHBondContact ND1-N 3.35Å; H238-A240 PolarHBondContact O-N 3.17Å; H238-F241 VanDerWaalsContact O-CD2 3.3Å; H238-F241 WeakPolarHBondContact O-CD2 3.36Å; H238-F241 PolarHBondContact O-N 2.86Å
239	A	97.9	Very high	98.1	Very high	68 Å²	68	36.6 Å²	36.6	56%	0.562	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-7.9	177	0	0	0	0	0	114.5	F241 D242 K243	A239-F241 PolarHBondContact O-N 2.94Å; A239-D242 PolarHBondContact O-N 3.09Å; A239-K243 PolarHBondContact O-N 3.38Å; A239-K243 VanDerWaalsContact O-N 3.08Å
240	A	98.6	Very high	98.1	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-25.4	171.1	0	0	0	0	0	112.4	T207 I210 H238 K243 A244	T207-A240 HydrophobicContact CG2-CB 4.07Å; I210-A240 HydrophobicContact CB-CB 4.11Å; I210-A240 HydrophobicContact CD1-CB 3.88Å; I210-A240 HydrophobicContact CG2-CB 3.89Å; H238-A240 WeakPolarHBondContact ND1-CB 3.3Å; H238-A240 PolarHBondContact ND1-N 3.35Å; H238-A240 PolarHBondContact O-N 3.17Å; A240-K243 PolarHBondContact O-N 3.05Å; A240-A244 WeakPolarHBondContact O-CB 3.34Å; A240-A244 PolarHBondContact O-N 3.08Å
241	F	98.8	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.5	-39.2	172.8	-69.5	-78.2	0	0	0	111.7	I210 I231 V237 H238 A239 K243 A244 A245 L252 M279 V281 H310 D312	I210-F241 HydrophobicContact CB-CZ 4.44Å; I210-F241 HydrophobicContact CD1-CE2 3.89Å; I210-F241 HydrophobicContact CD1-CZ 4.21Å; I210-F241 HydrophobicContact CG1-CE2 4.21Å; I210-F241 HydrophobicContact CG1-CZ 4.02Å; I210-F241 HydrophobicContact CG2-CD1 3.74Å; I210-F241 HydrophobicContact CG2-CD2 4.12Å; I210-F241 HydrophobicContact CG2-CE1 3.56Å; I210-F241 HydrophobicContact CG2-CE2 3.94Å; I210-F241 HydrophobicContact CG2-CG 4.01Å; I210-F241 HydrophobicContact CG2-CZ 3.65Å; I231-F241 HydrophobicContact CG2-CD1 4.22Å; V237-F241 HydrophobicContact CB-CD2 3.64Å; V237-F241 HydrophobicContact CB-CE2 4.01Å; V237-F241 HydrophobicContact CG1-CD2 4.48Å; V237-F241 HydrophobicContact CG2-CB 4.07Å; V237-F241 HydrophobicContact CG2-CD2 3.64Å; V237-F241 HydrophobicContact CG2-CE2 4.47Å; V237-F241 HydrophobicContact CG2-CG 4.09Å; H238-F241 VanDerWaalsContact O-CD2 3.3Å; H238-F241 WeakPolarHBondContact O-CD2 3.36Å; H238-F241 PolarHBondContact O-N 2.86Å; A239-F241 PolarHBondContact O-N 2.94Å; F241-K243 VanDerWaalsContact C-N 3.32Å; F241-A244 WeakPolarHBondContact O-CB 3.41Å; F241-A244 PolarHBondContact O-N 3.4Å; F241-A245 WeakPolarHBondContact O-CB 3.45Å; F241-A245 PolarHBondContact O-N 3.31Å; F241-L252 HydrophobicContact CB-CD1 4.31Å; F241-L252 HydrophobicContact CB-CD2 4.24Å; F241-M279 HydrophobicContact CE1-CE 4.12Å; F241-V281 HydrophobicContact CD1-CG2 4.09Å; F241-V281 HydrophobicContact CE1-CB 4.43Å; F241-V281 HydrophobicContact CE1-CG1 3.86Å; F241-V281 HydrophobicContact CE1-CG2 3.63Å; F241-V281 HydrophobicContact CE2-CG1 3.82Å; F241-V281 HydrophobicContact CZ-CB 4.47Å; F241-V281 HydrophobicContact CZ-CG1 3.45Å; F241-V281 VanDerWaalsContact CZ-CG1 3.45Å; F241-V281 HydrophobicContact CZ-CG2 4.12Å; F241-H310 AromaticContact CZ-CD2 3.77Å; F241-D312 HydrophobicContact CE2-CB 4.35Å; F241-D312 HydrophobicContact CZ-CB 4.41Å
242	D	97.8	Very high	98	Very high	72 Å²	72	41.3 Å²	41.3	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-41.6	171.4	-58.8	-95.6	0	0	0	110.8	A239 A245 H246 L252 H254	A239-D242 PolarHBondContact O-N 3.09Å; D242-A245 PolarHBondContact O-N 2.92Å; D242-H246 WeakPolarHBondContact O-CB 3.34Å; D242-H246 PolarHBondContact O-N 3.21Å; D242-L252 HydrophobicContact CB-CD2 4.22Å; D242-L252 VanDerWaalsContact CG-CD2 3.5Å; D242-L252 VanDerWaalsContact OD1-CD2 3.3Å; D242-L252 WeakPolarHBondContact OD1-CD2 3.34Å; D242-H254 IonicContact OD1-NE2 3.11Å; D242-H254 PolarHBondContact OD1-NE2 3.33Å; D242-H254 IonicContact OD2-NE2 2.81Å
243	K	98.4	Very high	97.9	Very high	92 Å²	92	42.9 Å²	42.9	40%	0.4	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-42.8	173.8	-171.6	178.7	-66	-174.9	0	111.9	T207 A239 A240 F241 H246 Y247	T207-K243 HydrophobicContact CG2-CD 4.21Å; A239-K243 PolarHBondContact O-N 3.38Å; A239-K243 VanDerWaalsContact O-N 3.08Å; A240-K243 PolarHBondContact O-N 3.05Å; F241-K243 VanDerWaalsContact C-N 3.32Å; K243-H246 PolarHBondContact O-N 3.27Å; K243-Y247 HydrophobicContact CD-CE2 3.92Å; K243-Y247 HydrophobicContact CG-CD1 4.45Å; K243-Y247 HydrophobicContact CG-CD2 4.09Å; K243-Y247 HydrophobicContact CG-CE1 4.19Å; K243-Y247 HydrophobicContact CG-CE2 3.79Å; K243-Y247 HydrophobicContact CG-CG 4.41Å; K243-Y247 WeakPolarHBondContact O-CB 3.25Å; K243-Y247 PolarHBondContact O-N 3.05Å
244	A	98.6	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-46.4	176.4	0	0	0	0	0	111.7	L211 C214 I231 A240 F241 H246 Y247 F248	L211-A244 VanDerWaalsContact CD2-CA 3.45Å; L211-A244 HydrophobicContact CD2-CB 3.66Å; C214-A244 HydrophobicContact CB-CB 3.7Å; I231-A244 HydrophobicContact CD1-CB 4.49Å; A240-A244 WeakPolarHBondContact O-CB 3.34Å; A240-A244 PolarHBondContact O-N 3.08Å; F241-A244 WeakPolarHBondContact O-CB 3.41Å; F241-A244 PolarHBondContact O-N 3.4Å; A244-H246 VanDerWaalsContact C-N 3.28Å; A244-H246 PolarHBondContact O-N 2.75Å; A244-Y247 PolarHBondContact O-N 3.03Å; A244-F248 HydrophobicContact CB-CD2 4.1Å; A244-F248 HydrophobicContact CB-CE2 4.26Å; A244-F248 WeakPolarHBondContact O-CB 3.25Å; A244-F248 WeakPolarHBondContact O-CD2 3.31Å; A244-F248 PolarHBondContact O-N 2.92Å
245	A	97.9	Very high	97.9	Very high	10 Å²	10	46.8 Å²	46.8	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-42.7	176.4	0	0	0	0	0	111.4	I231 F241 D242 G249 M250 L252	I231-A245 HydrophobicContact CD1-CB 4.4Å; F241-A245 WeakPolarHBondContact O-CB 3.45Å; F241-A245 PolarHBondContact O-N 3.31Å; D242-A245 PolarHBondContact O-N 2.92Å; A245-G249 CarbonylContact O-C 3.51Å; A245-G249 WeakPolarHBondContact O-CA 3.18Å; A245-G249 PolarHBondContact O-N 2.8Å; A245-M250 PolarHBondContact O-N 2.94Å; A245-L252 HydrophobicContact CB-CB 3.9Å
246	H	96.4	Very high	97.9	Very high	143 Å²	143	46 Å²	46	66%	0.662	24%	0.235	S	C	*	.	H	α-helix	trans	-63.3	-55	175.2	179.5	59	0	0	0	112.6	D242 K243 A244	D242-H246 WeakPolarHBondContact O-CB 3.34Å; D242-H246 PolarHBondContact O-N 3.21Å; K243-H246 PolarHBondContact O-N 3.27Å; A244-H246 VanDerWaalsContact C-N 3.28Å; A244-H246 PolarHBondContact O-N 2.75Å
247	Y	98.3	Very high	97.9	Very high	146 Å²	146	46.7 Å²	46.7	57%	0.573	24%	0.238	S	C	*	.	H	α-helix	trans	-66.5	-42.3	-175.1	-74.5	0.2	0	0	0	113.1	L211 K243 A244	L211-Y247 HydrophobicContact CD2-CD2 4.31Å; K243-Y247 HydrophobicContact CD-CE2 3.92Å; K243-Y247 HydrophobicContact CG-CD1 4.45Å; K243-Y247 HydrophobicContact CG-CD2 4.09Å; K243-Y247 HydrophobicContact CG-CE1 4.19Å; K243-Y247 HydrophobicContact CG-CE2 3.79Å; K243-Y247 HydrophobicContact CG-CG 4.41Å; K243-Y247 WeakPolarHBondContact O-CB 3.25Å; K243-Y247 PolarHBondContact O-N 3.05Å; A244-Y247 PolarHBondContact O-N 3.03Å
248	F	97.9	Very high	97.8	Very high	45 Å²	45	49.6 Å²	49.6	20%	0.197	25%	0.253	C	S	.	.	H	α-helix	trans	-97.9	-0	-172.8	-53.4	-45.2	0	0	0	113.5	L211 C214 K215 R218 A244 M250	L211-F248 HydrophobicContact CB-CE2 3.86Å; L211-F248 HydrophobicContact CB-CZ 4Å; L211-F248 HydrophobicContact CD2-CD2 4.47Å; L211-F248 HydrophobicContact CD2-CE2 3.58Å; L211-F248 HydrophobicContact CD2-CZ 3.99Å; L211-F248 HydrophobicContact CG-CE2 4.33Å; L211-F248 WeakPolarHBondContact O-CE2 3.12Å; C214-F248 HydrophobicContact CB-CD2 4.3Å; K215-F248 HydrophobicContact CB-CD2 4.25Å; K215-F248 HydrophobicContact CB-CE1 4.39Å; K215-F248 HydrophobicContact CB-CE2 3.99Å; K215-F248 HydrophobicContact CB-CZ 4.07Å; K215-F248 HydrophobicContact CG-CE1 4.46Å; R218-F248 WeakPolarHBondContact CD-O 3.49Å; R218-F248 PolarHBondContact NH1-O 3.48Å; A244-F248 HydrophobicContact CB-CD2 4.1Å; A244-F248 HydrophobicContact CB-CE2 4.26Å; A244-F248 WeakPolarHBondContact O-CB 3.25Å; A244-F248 WeakPolarHBondContact O-CD2 3.31Å; A244-F248 PolarHBondContact O-N 2.92Å; F248-M250 HydrophobicContact CB-CG 4.26Å; F248-M250 HydrophobicContact CB-SD 4.47Å
249	G	95.5	Very high	97.4	Very high	13 Å²	13	54.2 Å²	54.2	13%	0.134	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	30.1	175.1	0	0	0	0	0	114.8	R58 A245	R58-G249 VanDerWaalsContact CZ-C 3.5Å; R58-G249 VanDerWaalsContact CZ-O 3.22Å; R58-G249 PolarHBondContact NE-O 3.21Å; R58-G249 PolarHBondContact NH2-O 3.1Å; A245-G249 CarbonylContact O-C 3.51Å; A245-G249 WeakPolarHBondContact O-CA 3.18Å; A245-G249 PolarHBondContact O-N 2.8Å
250	M	97.5	Very high	97.1	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.025	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-90.1	160.7	176.2	-51.7	176.3	76.6	0	0	110.2	C214 R218 P229 I231 A245 F248 A278	C214-M250 HydrophobicContact CB-SD 4.22Å; R218-M250 HydrophobicContact CB-CE 3.88Å; R218-M250 HydrophobicContact CB-CG 4.29Å; R218-M250 HydrophobicContact CB-SD 3.79Å; R218-M250 HydrophobicContact CG-CE 4.45Å; R218-M250 HydrophobicContact CG-CG 4.07Å; R218-M250 HydrophobicContact CG-SD 4.24Å; P229-M250 HydrophobicContact CB-CE 3.86Å; P229-M250 HydrophobicContact CB-CG 4.29Å; P229-M250 CarbonylContact O-C 3.56Å; P229-M250 VanDerWaalsContact O-CA 3.29Å; P229-M250 WeakPolarHBondContact O-CA 3.48Å; P229-M250 WeakPolarHBondContact O-CB 3.22Å; I231-M250 HydrophobicContact CD1-CB 4.22Å; I231-M250 HydrophobicContact CD1-CE 4.13Å; I231-M250 HydrophobicContact CD1-SD 3.79Å; I231-M250 HydrophobicContact CG1-CB 4.16Å; I231-M250 HydrophobicContact CG1-CE 3.51Å; I231-M250 HydrophobicContact CG1-SD 3.87Å; A245-M250 PolarHBondContact O-N 2.94Å; F248-M250 HydrophobicContact CB-CG 4.26Å; F248-M250 HydrophobicContact CB-SD 4.47Å; M250-A278 HydrophobicContact CE-CB 3.93Å
251	K	96.8	Very high	97	Very high	81 Å²	81	62.1 Å²	62.1	35%	0.352	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.8	170.9	171	-178.9	165	-152.9	0	109.4	P229 E230 I231 V253	P229-K251 PolarHBondContact O-N 3.04Å; E230-K251 CarbonylContact C-O 3.02Å; E230-K251 VanDerWaalsContact CA-O 3.23Å; E230-K251 WeakPolarHBondContact CA-O 3.49Å; E230-K251 HydrophobicContact CG-CB 4.18Å; E230-K251 HydrophobicContact CG-CD 4.21Å; E230-K251 HydrophobicContact CG-CG 4.44Å; E230-K251 WeakPolarHBondContact OE1-CD 3.27Å; E230-K251 IonicContact OE1-NZ 2.79Å; E230-K251 PolarHBondContact OE1-NZ 3.31Å; I231-K251 PolarHBondContact N-O 3.11Å; K251-V253 HydrophobicContact CD-CG2 4.5Å; K251-V253 HydrophobicContact CG-CG2 4.26Å
252	L	97.4	Very high	97	Very high	31 Å²	31	62.5 Å²	62.5	16%	0.162	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.8	173.7	-176.4	59.4	0	0	0	109.9	I231 A233 F241 D242 A245 H254	I231-L252 HydrophobicContact CB-CD1 3.73Å; I231-L252 HydrophobicContact CG2-CD1 3.65Å; A233-L252 HydrophobicContact CB-CD1 3.83Å; F241-L252 HydrophobicContact CB-CD1 4.31Å; F241-L252 HydrophobicContact CB-CD2 4.24Å; D242-L252 HydrophobicContact CB-CD2 4.22Å; D242-L252 VanDerWaalsContact CG-CD2 3.5Å; D242-L252 VanDerWaalsContact OD1-CD2 3.3Å; D242-L252 WeakPolarHBondContact OD1-CD2 3.34Å; A245-L252 HydrophobicContact CB-CB 3.9Å; L252-H254 WeakPolarHBondContact CD2-NE2 3.24Å
253	V	98	Very high	97	Very high	33 Å²	33	62.5 Å²	62.5	20%	0.2	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	102.5	174.9	-175.7	0	0	0	0	107.9	I231 L232 A233 K251 I255 A272	I231-V253 PolarHBondContact O-N 2.96Å; L232-V253 HydrophobicContact CD1-CB 3.96Å; L232-V253 HydrophobicContact CD1-CG2 4.08Å; L232-V253 HydrophobicContact CG-CB 4.19Å; A233-V253 PolarHBondContact N-O 2.97Å; A233-V253 VanDerWaalsContact N-O 3.1Å; K251-V253 HydrophobicContact CD-CG2 4.5Å; K251-V253 HydrophobicContact CG-CG2 4.26Å; V253-I255 HydrophobicContact CG1-CD1 4.18Å; V253-A272 HydrophobicContact CG1-CB 4.21Å
254	H	98.1	Very high	97	Very high	77 Å²	77	58.4 Å²	58.4	36%	0.356	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	122.6	178.1	-83.1	-58.2	0	0	0	111.2	A233 V235 D242 L252	A233-H254 CarbonylContact O-C 3.58Å; A233-H254 VanDerWaalsContact O-CA 3.27Å; A233-H254 WeakPolarHBondContact O-CA 3.49Å; V235-H254 HydrophobicContact CG1-CB 3.72Å; D242-H254 IonicContact OD1-NE2 3.11Å; D242-H254 PolarHBondContact OD1-NE2 3.33Å; D242-H254 IonicContact OD2-NE2 2.81Å; L252-H254 WeakPolarHBondContact CD2-NE2 3.24Å
255	I	98.5	Very high	97	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.1	179.1	-52.5	-53.5	0	0	0	109.1	A233 P234 V235 V253 V264 D265 A268 M269 A272	A233-I255 PolarHBondContact O-N 3.44Å; P234-I255 CarbonylContact C-O 3.54Å; P234-I255 WeakPolarHBondContact CA-O 3.35Å; V235-I255 PolarHBondContact N-O 3.3Å; V253-I255 HydrophobicContact CG1-CD1 4.18Å; I255-V264 HydrophobicContact CB-CG2 3.88Å; I255-V264 HydrophobicContact CG2-CG2 3.53Å; I255-D265 WeakPolarHBondContact CG2-O 3.42Å; I255-A268 HydrophobicContact CG2-CB 3.88Å; I255-M269 HydrophobicContact CG1-CB 4.2Å; I255-M269 HydrophobicContact CG1-CE 4.18Å; I255-M269 HydrophobicContact CG1-CG 4.28Å; I255-M269 HydrophobicContact CG2-CB 3.99Å; I255-A272 HydrophobicContact CD1-CB 3.59Å
256	P	98.1	Very high	97	Very high	62 Å²	62	61.3 Å²	61.3	40%	0.403	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-64.8	157.9	-179.6	28.4	-36.3	0	0	0	112.2	D265 A268	P256-D265 PolarHBondContact O-N 3.24Å; P256-A268 HydrophobicContact CG-CB 3.85Å
257	L	98.1	Very high	97.1	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.099	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-93.5	153.5	170.6	-47.1	179.1	0	0	0	110.3	P234 V235 Q259 M262 K263 V264	P234-L257 HydrophobicContact CB-CD2 3.9Å; V235-L257 HydrophobicContact CG2-CD1 4.03Å; V235-L257 HydrophobicContact CG2-CD2 3.92Å; V235-L257 HydrophobicContact CG2-CG 3.52Å; L257-Q259 PolarHBondContact O-N 3.27Å; L257-M262 HydrophobicContact CD1-CE 4.12Å; L257-K263 CarbonylContact C-O 3.56Å; L257-K263 VanDerWaalsContact CA-O 3.26Å; L257-K263 WeakPolarHBondContact CA-O 3.38Å; L257-K263 WeakPolarHBondContact CB-O 3.49Å; L257-V264 HydrophobicContact CD2-CB 4.44Å
258	D	96.6	Very high	97.1	Very high	73 Å²	73	54.9 Å²	54.9	39%	0.39	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-65.4	125.3	160.1	173.9	-96.5	0	0	0	109.6	K260 T261 M262 K263	D258-K260 PolarHBondContact O-N 2.98Å; D258-K260 PolarHBondContact OD1-N 3.26Å; D258-T261 WeakPolarHBondContact CB-OG1 3.43Å; D258-T261 WeakPolarHBondContact OD1-CB 3.37Å; D258-T261 WeakPolarHBondContact OD1-CG2 3.37Å; D258-T261 PolarHBondContact OD1-N 3.36Å; D258-T261 PolarHBondContact OD1-OG1 2.99Å; D258-M262 VanDerWaalsContact O-CA 3.23Å; D258-M262 WeakPolarHBondContact O-CA 3.48Å; D258-M262 PolarHBondContact O-N 3.04Å; D258-K263 PolarHBondContact N-O 3.21Å
259	Q	91.3	Very high	97.2	Very high	162 Å²	162	52.7 Å²	52.7	76%	0.757	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22	-171.4	-65	-65	-35.6	0	0	113.6	L257	L257-Q259 PolarHBondContact O-N 3.27Å
260	K	91.6	Very high	97.3	Very high	179 Å²	179	57.6 Å²	57.6	78%	0.778	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-46.9	-177.9	-176.2	175.8	-179.2	176.8	0	111.8	D258	D258-K260 PolarHBondContact O-N 2.98Å; D258-K260 PolarHBondContact OD1-N 3.26Å
261	T	96.3	Very high	97.4	Very high	58 Å²	58	65 Å²	65	36%	0.356	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-19.2	-174.7	62.5	0	0	0	0	112.7	D258 K263	D258-T261 WeakPolarHBondContact CB-OG1 3.43Å; D258-T261 WeakPolarHBondContact OD1-CB 3.37Å; D258-T261 WeakPolarHBondContact OD1-CG2 3.37Å; D258-T261 PolarHBondContact OD1-N 3.36Å; D258-T261 PolarHBondContact OD1-OG1 2.99Å; T261-K263 PolarHBondContact O-N 3.49Å; T261-K263 PolarHBondContact OG1-N 3.31Å
262	M	97.7	Very high	97.4	Very high	7 Å²	7	62.6 Å²	62.6	3%	0.034	30%	0.3	C	S	.	.			trans	59.1	21.3	-174.9	-55.7	-60.6	-72.2	0	0	113.4	L257 D258 Q286 H289 I291 F439 P476	L257-M262 HydrophobicContact CD1-CE 4.12Å; D258-M262 VanDerWaalsContact O-CA 3.23Å; D258-M262 WeakPolarHBondContact O-CA 3.48Å; D258-M262 PolarHBondContact O-N 3.04Å; M262-Q286 PolarHBondContact O-NE2 3.18Å; M262-Q286 VanDerWaalsContact O-NE2 3.11Å; M262-H289 VanDerWaalsContact CE-CE1 3.42Å; M262-H289 WeakPolarHBondContact CE-CE1 3.41Å; M262-H289 WeakPolarHBondContact CE-NE2 3.37Å; M262-I291 HydrophobicContact CB-CG1 4Å; M262-F439 HydrophobicContact CE-CD1 4.01Å; M262-F439 HydrophobicContact CG-CB 4.3Å; M262-F439 HydrophobicContact CG-CD1 4.28Å; M262-F439 HydrophobicContact SD-CD1 4.14Å; M262-P476 HydrophobicContact CE-CG 4.41Å
263	K	98.1	Very high	97.5	Very high	73 Å²	73	62.5 Å²	62.5	32%	0.317	30%	0.3	S	S	.	.			trans	-90.6	155	172	-68.1	-177.9	176.8	-172.7	0	110	L257 D258 T261 I291 M292	L257-K263 CarbonylContact C-O 3.56Å; L257-K263 VanDerWaalsContact CA-O 3.26Å; L257-K263 WeakPolarHBondContact CA-O 3.38Å; L257-K263 WeakPolarHBondContact CB-O 3.49Å; D258-K263 PolarHBondContact N-O 3.21Å; T261-K263 PolarHBondContact O-N 3.49Å; T261-K263 PolarHBondContact OG1-N 3.31Å; K263-I291 HydrophobicContact CG-CG2 3.53Å; K263-M292 WeakPolarHBondContact CE-O 3.37Å
264	V	98.3	Very high	97.4	Very high	6 Å²	6	63 Å²	63	4%	0.036	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-59.8	138	174.2	66.9	0	0	0	0	113.1	P234 I255 L257 V266 M269 D293 P294 V298	P234-V264 HydrophobicContact CB-CB 3.83Å; P234-V264 HydrophobicContact CB-CG2 3.77Å; P234-V264 HydrophobicContact CG-CB 3.7Å; P234-V264 HydrophobicContact CG-CG1 4.21Å; P234-V264 HydrophobicContact CG-CG2 3.74Å; I255-V264 HydrophobicContact CB-CG2 3.88Å; I255-V264 HydrophobicContact CG2-CG2 3.53Å; L257-V264 HydrophobicContact CD2-CB 4.44Å; V264-V266 PolarHBondContact O-N 3.47Å; V264-V266 VanDerWaalsContact O-N 3.09Å; V264-M269 HydrophobicContact CG1-CE 4.5Å; V264-M269 HydrophobicContact CG2-CE 3.9Å; V264-D293 HydrophobicContact CG1-CB 4.27Å; V264-D293 PolarHBondContact N-OD1 3Å; V264-P294 HydrophobicContact CG1-CG 4.2Å; V264-V298 HydrophobicContact CG1-CG2 4.3Å
265	D	98.5	Very high	97.3	Very high	49 Å²	49	68 Å²	68	26%	0.262	33%	0.325	S	S	.	.			trans	-73.8	98.5	170.2	178.3	-3.8	0	0	0	109.8	I255 P256 K267 A268 M269 R271	I255-D265 WeakPolarHBondContact CG2-O 3.42Å; P256-D265 PolarHBondContact O-N 3.24Å; D265-K267 PolarHBondContact O-N 2.64Å; D265-K267 WeakPolarHBondContact OD1-CA 3.4Å; D265-K267 VanDerWaalsContact OD1-CB 3.28Å; D265-K267 WeakPolarHBondContact OD1-CB 3.4Å; D265-K267 PolarHBondContact OD1-N 2.96Å; D265-A268 HydrophobicContact CB-CB 3.83Å; D265-A268 WeakPolarHBondContact O-CB 3.43Å; D265-A268 PolarHBondContact O-N 2.98Å; D265-A268 VanDerWaalsContact O-N 3.09Å; D265-A268 PolarHBondContact OD1-N 3.03Å; D265-A268 WeakPolarHBondContact OD2-CB 3.33Å; D265-M269 PolarHBondContact O-N 3.31Å; D265-R271 IonicContact OD2-NH2 3.97Å
266	V	98.5	Very high	97.3	Very high	22 Å²	22	70 Å²	70	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-32	178.2	-176.3	0	0	0	0	111.9	V264 M269 R270 P294 E297 V298 L301	V264-V266 PolarHBondContact O-N 3.47Å; V264-V266 VanDerWaalsContact O-N 3.09Å; V266-M269 PolarHBondContact O-N 2.9Å; V266-R270 WeakPolarHBondContact O-CB 3.46Å; V266-R270 PolarHBondContact O-N 2.69Å; V266-P294 HydrophobicContact CG2-CB 4.47Å; V266-P294 HydrophobicContact CG2-CG 3.56Å; V266-E297 HydrophobicContact CG1-CB 4.15Å; V266-E297 HydrophobicContact CG2-CB 4Å; V266-V298 HydrophobicContact CG2-CG2 4.07Å; V266-L301 HydrophobicContact CG1-CD1 3.78Å; V266-L301 HydrophobicContact CG1-CG 4.31Å
267	K	98.4	Very high	97.3	Very high	143 Å²	143	67.3 Å²	67.3	62%	0.622	32%	0.318	S	S	*	.	H	α-helix	trans	-70.7	-38.9	177	-60.8	177.3	-178.9	172.5	0	110.7	D265 R271	D265-K267 PolarHBondContact O-N 2.64Å; D265-K267 WeakPolarHBondContact OD1-CA 3.4Å; D265-K267 VanDerWaalsContact OD1-CB 3.28Å; D265-K267 WeakPolarHBondContact OD1-CB 3.4Å; D265-K267 PolarHBondContact OD1-N 2.96Å; K267-R271 WeakPolarHBondContact O-CG 3.36Å; K267-R271 PolarHBondContact O-N 3.35Å; K267-R271 VanDerWaalsContact O-N 3.14Å; K267-R271 PolarHBondContact O-NH1 2.79Å
268	A	98.4	Very high	97.3	Very high	10 Å²	10	66.6 Å²	66.6	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-43.9	172.8	0	0	0	0	0	111.6	I255 P256 D265 R270 R271 A272	I255-A268 HydrophobicContact CG2-CB 3.88Å; P256-A268 HydrophobicContact CG-CB 3.85Å; D265-A268 HydrophobicContact CB-CB 3.83Å; D265-A268 WeakPolarHBondContact O-CB 3.43Å; D265-A268 PolarHBondContact O-N 2.98Å; D265-A268 VanDerWaalsContact O-N 3.09Å; D265-A268 PolarHBondContact OD1-N 3.03Å; D265-A268 WeakPolarHBondContact OD2-CB 3.33Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 3.42Å; A268-R271 VanDerWaalsContact CA-NH2 3.3Å; A268-R271 PolarHBondContact O-N 3.48Å; A268-R271 VanDerWaalsContact O-N 3.14Å; A268-A272 PolarHBondContact O-N 2.99Å
269	M	98.8	Very high	97.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.1	-48.6	174.5	-172.4	174.4	-77.1	0	0	111.2	I255 V264 D265 V266 R271 A272 I273 L280 V298 L301	I255-M269 HydrophobicContact CG1-CB 4.2Å; I255-M269 HydrophobicContact CG1-CE 4.18Å; I255-M269 HydrophobicContact CG1-CG 4.28Å; I255-M269 HydrophobicContact CG2-CB 3.99Å; V264-M269 HydrophobicContact CG1-CE 4.5Å; V264-M269 HydrophobicContact CG2-CE 3.9Å; D265-M269 PolarHBondContact O-N 3.31Å; V266-M269 PolarHBondContact O-N 2.9Å; M269-R271 VanDerWaalsContact C-N 3.31Å; M269-R271 PolarHBondContact O-N 3.1Å; M269-A272 PolarHBondContact O-N 3.39Å; M269-I273 PolarHBondContact O-N 3.11Å; M269-L280 HydrophobicContact CG-CD2 4.32Å; M269-L280 HydrophobicContact SD-CB 4.43Å; M269-L280 HydrophobicContact SD-CD1 4.4Å; M269-L280 HydrophobicContact SD-CD2 4.27Å; M269-V298 HydrophobicContact CE-CG1 4.43Å; M269-V298 HydrophobicContact CE-CG2 4.45Å; M269-V298 HydrophobicContact SD-CB 4.33Å; M269-V298 HydrophobicContact SD-CG1 3.48Å; M269-V298 WeakPolarHBondContact SD-CG1 3.27Å; M269-V298 HydrophobicContact SD-CG2 3.91Å; M269-L301 HydrophobicContact CB-CD1 4.37Å; M269-L301 HydrophobicContact CG-CD1 4.31Å; M269-L301 HydrophobicContact SD-CD1 4.46Å
270	R	98.7	Very high	97.8	Very high	115 Å²	115	55.4 Å²	55.4	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-56.5	-42.4	176.8	-176	-172.4	68.3	168.3	3.8	112.7	V266 A268 A272 I273 L301 Y305	V266-R270 WeakPolarHBondContact O-CB 3.46Å; V266-R270 PolarHBondContact O-N 2.69Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 3.42Å; R270-A272 VanDerWaalsContact C-N 3.27Å; R270-A272 PolarHBondContact O-N 2.83Å; R270-I273 PolarHBondContact O-N 2.69Å; R270-L301 HydrophobicContact CB-CD1 4Å; R270-L301 HydrophobicContact CB-CD2 3.99Å; R270-L301 HydrophobicContact CG-CD2 3.95Å; R270-Y305 HydrophobicContact CG-CE2 4.36Å
271	R	98.6	Very high	98.1	Very high	161 Å²	161	46.9 Å²	46.9	61%	0.608	22%	0.223	S	C	*	.	H	α-helix	trans	-68.3	-26.1	178.6	-72.4	-173.7	-60.4	-89.6	-0	112.9	D265 K267 A268 M269	D265-R271 IonicContact OD2-NH2 3.97Å; K267-R271 WeakPolarHBondContact O-CG 3.36Å; K267-R271 PolarHBondContact O-N 3.35Å; K267-R271 VanDerWaalsContact O-N 3.14Å; K267-R271 PolarHBondContact O-NH1 2.79Å; A268-R271 VanDerWaalsContact CA-NH2 3.3Å; A268-R271 PolarHBondContact O-N 3.48Å; A268-R271 VanDerWaalsContact O-N 3.14Å; M269-R271 VanDerWaalsContact C-N 3.31Å; M269-R271 PolarHBondContact O-N 3.1Å
272	A	98.3	Very high	98.3	Very high	30 Å²	30	44.1 Å²	44.1	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-83	-16.9	-179.3	0	0	0	0	0	113.6	L232 V253 I255 A268 M269 R270 S274	L232-A272 HydrophobicContact CD2-CB 3.95Å; L232-A272 HydrophobicContact CG-CB 4.33Å; V253-A272 HydrophobicContact CG1-CB 4.21Å; I255-A272 HydrophobicContact CD1-CB 3.59Å; A268-A272 PolarHBondContact O-N 2.99Å; M269-A272 PolarHBondContact O-N 3.39Å; R270-A272 VanDerWaalsContact C-N 3.27Å; R270-A272 PolarHBondContact O-N 2.83Å; A272-S274 PolarHBondContact O-N 3.08Å
273	I	98.6	Very high	98.3	Very high	30 Å²	30	43.8 Å²	43.8	15%	0.154	21%	0.205	C	C	.	.			trans	-59.2	130.3	180	-68.5	171.1	0	0	0	109.8	L232 M269 R270 L280 L301 Y305 I307	L232-I273 HydrophobicContact CD2-CB 4.33Å; L232-I273 HydrophobicContact CD2-CG1 3.71Å; M269-I273 PolarHBondContact O-N 3.11Å; R270-I273 PolarHBondContact O-N 2.69Å; I273-L280 HydrophobicContact CD1-CD1 4.47Å; I273-L280 HydrophobicContact CD1-CD2 4.41Å; I273-L280 HydrophobicContact CG1-CD2 4.22Å; I273-L301 HydrophobicContact CD1-CB 4.26Å; I273-L301 HydrophobicContact CD1-CD1 4.5Å; I273-Y305 HydrophobicContact CD1-CD2 3.52Å; I273-Y305 HydrophobicContact CD1-CE2 3.78Å; I273-Y305 HydrophobicContact CD1-CG 4.09Å; I273-Y305 HydrophobicContact CG2-CD1 4.06Å; I273-Y305 HydrophobicContact CG2-CE1 4.45Å; I273-Y305 HydrophobicContact CG2-CG 4.11Å; I273-I307 HydrophobicContact CG2-CD1 3.66Å
274	S	97	Very high	98.3	Very high	43 Å²	43	40.3 Å²	40.3	30%	0.301	19%	0.19	S	C	.	.			trans	-132.3	171.1	180	90.5	0	0	0	0	110.4	E230 A272 N276 T277	E230-S274 PolarHBondContact OE2-OG 3.03Å; A272-S274 PolarHBondContact O-N 3.08Å; S274-N276 PolarHBondContact O-N 3.08Å; S274-N276 VanDerWaalsContact O-N 3.11Å; S274-N276 PolarHBondContact OG-N 3.21Å; S274-T277 PolarHBondContact N-OG1 3.27Å; S274-T277 WeakPolarHBondContact O-CB 3.36Å; S274-T277 PolarHBondContact O-N 3.2Å; S274-T277 VanDerWaalsContact O-N 3.08Å; S274-T277 PolarHBondContact O-OG1 3.35Å
275	K	96	Very high	98.3	Very high	183 Å²	183	40.1 Å²	40.1	80%	0.796	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.1	172.6	66.5	178	-178.7	179.1	0	113.9
276	N	96.9	Very high	98.3	Very high	44 Å²	44	37.8 Å²	37.8	24%	0.235	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.8	179.3	-64.2	-21.4	0	0	0	112.5	V226 F228 P229 E230 S274 A278	V226-N276 HydrophobicContact CG1-CB 4.02Å; F228-N276 WeakPolarHBondContact O-CB 3.23Å; P229-N276 CarbonylContact C-O 3.59Å; P229-N276 WeakPolarHBondContact CA-O 3.46Å; E230-N276 HydrophobicContact CG-CB 3.8Å; E230-N276 PolarHBondContact N-O 3.04Å; S274-N276 PolarHBondContact O-N 3.08Å; S274-N276 VanDerWaalsContact O-N 3.11Å; S274-N276 PolarHBondContact OG-N 3.21Å; N276-A278 PolarHBondContact O-N 3.41Å; N276-A278 VanDerWaalsContact O-N 3.16Å
277	T	98.6	Very high	98.3	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.043	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	117.6	-178.2	-57.7	0	0	0	0	110.8	L232 S274 L280 I307	L232-T277 HydrophobicContact CD1-CG2 3.87Å; L232-T277 HydrophobicContact CD2-CG2 4.01Å; L232-T277 HydrophobicContact CG-CG2 4.37Å; S274-T277 PolarHBondContact N-OG1 3.27Å; S274-T277 WeakPolarHBondContact O-CB 3.36Å; S274-T277 PolarHBondContact O-N 3.2Å; S274-T277 VanDerWaalsContact O-N 3.08Å; S274-T277 PolarHBondContact O-OG1 3.35Å; T277-L280 HydrophobicContact CG2-CD2 4.05Å; T277-I307 HydrophobicContact CG2-CD1 3.77Å; T277-I307 HydrophobicContact CG2-CG1 4.48Å; T277-I307 HydrophobicContact CG2-CG2 3.84Å
278	A	98.8	Very high	98.3	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-29.5	179.7	0	0	0	0	0	112.6	A221 P229 E230 M250 N276 P308	A221-A278 HydrophobicContact CB-CB 3.58Å; P229-A278 HydrophobicContact CB-CB 3.81Å; E230-A278 PolarHBondContact O-N 3.37Å; M250-A278 HydrophobicContact CE-CB 3.93Å; N276-A278 PolarHBondContact O-N 3.41Å; N276-A278 VanDerWaalsContact O-N 3.16Å; A278-P308 WeakPolarHBondContact O-CD 3.16Å
279	M	98.9	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	150.8	177.5	64.2	-171	-69.1	0	0	113	C214 Y217 E230 I231 L232 F241 V281 P308 H310	C214-M279 HydrophobicContact CB-SD 4.18Å; Y217-M279 HydrophobicContact CD2-CB 3.75Å; Y217-M279 HydrophobicContact CD2-CE 3.81Å; Y217-M279 HydrophobicContact CD2-CG 4.45Å; Y217-M279 HydrophobicContact CD2-SD 3.9Å; Y217-M279 HydrophobicContact CE2-CE 4.29Å; Y217-M279 HydrophobicContact CG-CB 4.23Å; E230-M279 PolarHBondContact O-N 2.97Å; I231-M279 HydrophobicContact CB-CG 4.25Å; I231-M279 HydrophobicContact CG1-CG 4.14Å; I231-M279 HydrophobicContact CG1-SD 4.11Å; I231-M279 HydrophobicContact CG2-CG 3.91Å; I231-M279 HydrophobicContact CG2-SD 4.18Å; L232-M279 PolarHBondContact N-O 3.31Å; F241-M279 HydrophobicContact CE1-CE 4.12Å; M279-V281 HydrophobicContact CE-CG2 3.8Å; M279-P308 WeakPolarHBondContact CA-O 3.32Å; M279-H310 HydrophobicContact CE-CB 3.62Å
280	L	98.9	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	150.9	164.5	-55.4	-175.9	0	0	0	109.6	L232 M269 I273 T277 V298 L301 A302 I307 P308 L309 H310	L232-L280 HydrophobicContact CB-CD2 3.77Å; L232-L280 HydrophobicContact CD2-CD2 3.94Å; L232-L280 WeakPolarHBondContact O-CA 3.46Å; M269-L280 HydrophobicContact CG-CD2 4.32Å; M269-L280 HydrophobicContact SD-CB 4.43Å; M269-L280 HydrophobicContact SD-CD1 4.4Å; M269-L280 HydrophobicContact SD-CD2 4.27Å; I273-L280 HydrophobicContact CD1-CD1 4.47Å; I273-L280 HydrophobicContact CD1-CD2 4.41Å; I273-L280 HydrophobicContact CG1-CD2 4.22Å; T277-L280 HydrophobicContact CG2-CD2 4.05Å; L280-V298 HydrophobicContact CB-CG1 4.12Å; L280-V298 HydrophobicContact CD1-CG1 4.04Å; L280-L301 HydrophobicContact CD1-CB 3.99Å; L280-A302 HydrophobicContact CD1-CB 4.19Å; L280-I307 HydrophobicContact CD2-CG2 4.41Å; L280-I307 HydrophobicContact CG-CG2 3.94Å; L280-P308 PolarHBondContact N-O 3.39Å; L280-L309 HydrophobicContact CB-CD1 3.97Å; L280-L309 WeakPolarHBondContact O-CA 3.19Å; L280-L309 WeakPolarHBondContact O-CD1 3.05Å; L280-H310 PolarHBondContact O-N 3.32Å
281	V	98.9	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.7	-179.6	-175.8	0	0	0	0	111.3	I231 L232 A233 P234 V237 F241 M279 H310	I231-V281 HydrophobicContact CG2-CG2 3.86Å; L232-V281 PolarHBondContact O-N 3.21Å; A233-V281 HydrophobicContact CB-CB 3.78Å; A233-V281 HydrophobicContact CB-CG1 4.38Å; A233-V281 HydrophobicContact CB-CG2 3.99Å; P234-V281 WeakPolarHBondContact CD-O 3.21Å; V237-V281 HydrophobicContact CG1-CB 4.48Å; V237-V281 HydrophobicContact CG1-CG1 3.79Å; F241-V281 HydrophobicContact CD1-CG2 4.09Å; F241-V281 HydrophobicContact CE1-CB 4.43Å; F241-V281 HydrophobicContact CE1-CG1 3.86Å; F241-V281 HydrophobicContact CE1-CG2 3.63Å; F241-V281 HydrophobicContact CE2-CG1 3.82Å; F241-V281 HydrophobicContact CZ-CB 4.47Å; F241-V281 HydrophobicContact CZ-CG1 3.45Å; F241-V281 VanDerWaalsContact CZ-CG1 3.45Å; F241-V281 HydrophobicContact CZ-CG2 4.12Å; M279-V281 HydrophobicContact CE-CG2 3.8Å; V281-H310 WeakPolarHBondContact CA-O 3.2Å
282	C	98.7	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153	164.6	-74.5	0	0	0	0	109.7	D293 V295 V298 L309 H310 V311 D312	C282-D293 HydrophobicContact CB-CB 3.88Å; C282-V295 HydrophobicContact CB-CG2 4.01Å; C282-V298 WeakPolarHBondContact SG-CB 3.04Å; C282-V298 WeakPolarHBondContact SG-CG2 3.39Å; C282-L309 HydrophobicContact CB-CD1 4.45Å; C282-H310 PolarHBondContact N-O 2.9Å; C282-V311 CarbonylContact O-C 3.57Å; C282-V311 WeakPolarHBondContact O-CA 3.31Å; C282-D312 PolarHBondContact O-N 3.21Å
283	S	98.8	Very high	98.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.7	172.2	-61.3	0	0	0	0	112.5	Q286 D293 D312	S283-Q286 VanDerWaalsContact CB-CA 3.45Å; S283-Q286 VanDerWaalsContact CB-N 3.33Å; S283-D293 PolarHBondContact N-OD2 3.42Å; S283-D293 PolarHBondContact O-N 3.16Å; S283-D312 WeakPolarHBondContact CA-O 3.39Å
284	A	98.3	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	77.3	-175.6	0	0	0	0	0	112.2	M292 V311 D312 A313 I320	A284-M292 VanDerWaalsContact C-SD 3.57Å; A284-M292 VanDerWaalsContact CA-SD 3.56Å; A284-M292 HydrophobicContact CB-CE 3.63Å; A284-M292 HydrophobicContact CB-SD 4.05Å; A284-V311 HydrophobicContact CB-CG1 3.69Å; A284-D312 PolarHBondContact N-O 3.37Å; A284-A313 HydrophobicContact CB-CB 4.22Å; A284-I320 HydrophobicContact CB-CD1 3.89Å
285	P	98.5	Very high	98.3	Very high	2 Å²	2	18 Å²	18	1%	0.013	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.4	170.7	-12.5	36.8	-34.6	0	0	0	112.2	I291 M292 L315 V444	P285-I291 CarbonylContact C-O 3.49Å; P285-I291 VanDerWaalsContact CA-O 3.27Å; P285-I291 WeakPolarHBondContact CA-O 3.27Å; P285-I291 VanDerWaalsContact CB-O 3.25Å; P285-I291 WeakPolarHBondContact CB-O 3.41Å; P285-M292 HydrophobicContact CB-CG 4.4Å; P285-M292 HydrophobicContact CB-SD 3.88Å; P285-L315 HydrophobicContact CG-CD2 4.39Å; P285-V444 HydrophobicContact CB-CG2 4.4Å; P285-V444 HydrophobicContact CG-CB 4.09Å; P285-V444 HydrophobicContact CG-CG2 4.04Å
286	Q	98.4	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.			trans	-64	140.4	166.6	53.2	129.2	-39.9	0	0	111.7	S236 M262 S283 P288 H289 G290 I291	S236-Q286 VanDerWaalsContact CB-CD 3.43Å; M262-Q286 PolarHBondContact O-NE2 3.18Å; M262-Q286 VanDerWaalsContact O-NE2 3.11Å; S283-Q286 VanDerWaalsContact CB-CA 3.45Å; S283-Q286 VanDerWaalsContact CB-N 3.33Å; Q286-P288 VanDerWaalsContact OE1-CD 3.23Å; Q286-H289 PolarHBondContact NE2-ND1 2.96Å; Q286-H289 VanDerWaalsContact NE2-ND1 3.17Å; Q286-H289 PolarHBondContact OE1-ND1 3.31Å; Q286-G290 WeakPolarHBondContact O-CA 3.41Å; Q286-G290 PolarHBondContact O-N 3.12Å; Q286-I291 HydrophobicContact CG-CB 4.01Å; Q286-I291 WeakPolarHBondContact CG-O 3.42Å; Q286-I291 PolarHBondContact N-O 2.99Å
287	F	98.4	Very high	98.5	Very high	73 Å²	73	16.2 Å²	16.2	32%	0.32	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-46	-178.2	171.1	-94.4	0	0	0	113.9	H289 L315 H480	F287-H289 PolarHBondContact O-N 3.5Å; F287-L315 HydrophobicContact CB-CD2 4.5Å; F287-L315 HydrophobicContact CD2-CD2 4.28Å; F287-H480 AromaticContact CD1-CE1 3.92Å; F287-H480 AromaticContact CE1-CE1 3.51Å; F287-H480 AromaticContact CE2-CE1 3.7Å; F287-H480 AromaticContact CE2-NE2 3.77Å; F287-H480 AromaticContact CZ-CE1 3.4Å; F287-H480 WeakPolarHBondContact CZ-CE1 3.46Å; F287-H480 AromaticContact CZ-NE2 3.5Å; F287-H480 WeakPolarHBondContact CZ-NE2 3.48Å; F287-H480 PolarHBondContact O-CE1 3.23Å; F287-H480 PolarHBondContact O-ND1 2.73Å
288	P	98.2	Very high	98.5	Very high	29 Å²	29	15.9 Å²	15.9	19%	0.188	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-52.8	-173.5	-25.5	33.4	0	0	0	113.5	S236 Q286 L473 H480	S236-P288 WeakPolarHBondContact O-CD 3.27Å; Q286-P288 VanDerWaalsContact OE1-CD 3.23Å; P288-L473 HydrophobicContact CB-CD1 4.38Å; P288-L473 WeakPolarHBondContact O-CD1 3.39Å; P288-H480 PolarHBondContact O-ND1 2.97Å
289	H	98.3	Very high	98.5	Very high	9 Å²	9	15.8 Å²	15.8	4%	0.042	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-2.7	-170.7	-44.4	93.1	0	0	0	114.7	M262 Q286 F287 I291 F439 A448	M262-H289 VanDerWaalsContact CE-CE1 3.42Å; M262-H289 WeakPolarHBondContact CE-CE1 3.41Å; M262-H289 WeakPolarHBondContact CE-NE2 3.37Å; Q286-H289 PolarHBondContact NE2-ND1 2.96Å; Q286-H289 VanDerWaalsContact NE2-ND1 3.17Å; Q286-H289 PolarHBondContact OE1-ND1 3.31Å; F287-H289 PolarHBondContact O-N 3.5Å; H289-I291 VanDerWaalsContact C-N 3.3Å; H289-I291 HydrophobicContact CB-CG1 3.86Å; H289-I291 PolarHBondContact O-N 2.97Å; H289-F439 HydrophobicContact CB-CB 4.32Å; H289-F439 AromaticContact CD2-CG 3.83Å; H289-A448 HydrophobicContact CB-CB 4.31Å
290	G	97.8	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.			trans	71.3	22.8	180	0	0	0	0	0	114.9	Q286 P442	Q286-G290 WeakPolarHBondContact O-CA 3.41Å; Q286-G290 PolarHBondContact O-N 3.12Å; G290-P442 WeakPolarHBondContact O-CA 3.31Å
291	I	98.3	Very high	98.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-95.6	135.4	-175.7	-55.8	-61.6	0	0	0	111.1	M262 K263 P285 Q286 H289 N441 P442	M262-I291 HydrophobicContact CB-CG1 4Å; K263-I291 HydrophobicContact CG-CG2 3.53Å; P285-I291 CarbonylContact C-O 3.49Å; P285-I291 VanDerWaalsContact CA-O 3.27Å; P285-I291 WeakPolarHBondContact CA-O 3.27Å; P285-I291 VanDerWaalsContact CB-O 3.25Å; P285-I291 WeakPolarHBondContact CB-O 3.41Å; Q286-I291 HydrophobicContact CG-CB 4.01Å; Q286-I291 WeakPolarHBondContact CG-O 3.42Å; Q286-I291 PolarHBondContact N-O 2.99Å; H289-I291 VanDerWaalsContact C-N 3.3Å; H289-I291 HydrophobicContact CB-CG1 3.86Å; H289-I291 PolarHBondContact O-N 2.97Å; I291-N441 VanDerWaalsContact CD1-C 3.49Å; I291-P442 HydrophobicContact CD1-CB 4.37Å
292	M	98.1	Very high	98.5	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.03	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-79.4	122.2	170.4	-63	-69.6	-66.4	0	0	109.4	K263 A284 P285 I320 F333 V444	K263-M292 WeakPolarHBondContact CE-O 3.37Å; A284-M292 VanDerWaalsContact C-SD 3.57Å; A284-M292 VanDerWaalsContact CA-SD 3.56Å; A284-M292 HydrophobicContact CB-CE 3.63Å; A284-M292 HydrophobicContact CB-SD 4.05Å; P285-M292 HydrophobicContact CB-CG 4.4Å; P285-M292 HydrophobicContact CB-SD 3.88Å; M292-I320 HydrophobicContact CE-CD1 4.41Å; M292-I320 HydrophobicContact CE-CG2 4.39Å; M292-I320 HydrophobicContact SD-CG2 4.19Å; M292-F333 HydrophobicContact CE-CB 4.05Å; M292-F333 HydrophobicContact CE-CD1 3.9Å; M292-F333 HydrophobicContact CE-CG 4.1Å; M292-V444 HydrophobicContact CG-CG2 4.24Å; M292-V444 HydrophobicContact SD-CG2 3.93Å
293	D	98.6	Very high	98.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-66.6	153.7	170	-80.2	-40.4	0	0	0	111.2	P234 V264 C282 S283 V295	P234-D293 WeakPolarHBondContact CG-OD2 3.47Å; V264-D293 HydrophobicContact CG1-CB 4.27Å; V264-D293 PolarHBondContact N-OD1 3Å; C282-D293 HydrophobicContact CB-CB 3.88Å; S283-D293 PolarHBondContact N-OD2 3.42Å; S283-D293 PolarHBondContact O-N 3.16Å; D293-V295 PolarHBondContact O-N 3.34Å
294	P	98.3	Very high	98.5	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.104	17%	0.165	C	C	.	.			trans	-73.2	72.8	176.8	32.6	-37.7	0	0	0	111.5	V264 V266 E296 E297 V298	V264-P294 HydrophobicContact CG1-CG 4.2Å; V266-P294 HydrophobicContact CG2-CB 4.47Å; V266-P294 HydrophobicContact CG2-CG 3.56Å; P294-E296 VanDerWaalsContact C-N 3.3Å; P294-E296 PolarHBondContact O-N 2.89Å; P294-E297 HydrophobicContact CB-CB 4.14Å; P294-E297 HydrophobicContact CB-CG 4.15Å; P294-E297 PolarHBondContact O-N 2.92Å; P294-V298 PolarHBondContact O-N 2.92Å; P294-V298 VanDerWaalsContact O-N 3.13Å
295	V	98.8	Very high	98.5	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-53.6	-43.8	-175.9	178.1	0	0	0	0	112	C282 D293 E297 V298 A299 L309 V311 F333 V337 V340	C282-V295 HydrophobicContact CB-CG2 4.01Å; D293-V295 PolarHBondContact O-N 3.34Å; V295-E297 VanDerWaalsContact C-N 3.3Å; V295-E297 PolarHBondContact O-N 3.01Å; V295-V298 PolarHBondContact O-N 3.41Å; V295-A299 WeakPolarHBondContact O-CB 3.35Å; V295-A299 PolarHBondContact O-N 2.98Å; V295-L309 HydrophobicContact CG1-CD2 4.38Å; V295-V311 HydrophobicContact CG1-CG2 3.74Å; V295-V311 HydrophobicContact CG2-CG1 4.28Å; V295-V311 HydrophobicContact CG2-CG2 4.31Å; V295-F333 HydrophobicContact CB-CB 4.49Å; V295-F333 HydrophobicContact CG2-CB 4.1Å; V295-V337 HydrophobicContact CG1-CG1 4.47Å; V295-V340 HydrophobicContact CG1-CG2 3.72Å
296	E	98.6	Very high	98.5	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.393	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-35.8	179	-66.4	-172.7	106.7	0	0	113.3	P294 K300 P332 V337	P294-E296 VanDerWaalsContact C-N 3.3Å; P294-E296 PolarHBondContact O-N 2.89Å; E296-K300 WeakPolarHBondContact O-CG 3.47Å; E296-K300 PolarHBondContact O-N 3.4Å; E296-P332 HydrophobicContact CG-CB 4.13Å; E296-V337 HydrophobicContact CB-CG1 4.45Å; E296-V337 HydrophobicContact CG-CG1 4.09Å; E296-V337 HydrophobicContact CG-CG2 3.96Å
297	E	98.6	Very high	98.5	Very high	106 Å²	106	45.7 Å²	45.7	50%	0.495	21%	0.213	S	C	.	.	H	α-helix	trans	-74.5	-41.2	179.8	-63.1	-177.2	-133.1	0	0	111.5	V266 P294 V295 K300	V266-E297 HydrophobicContact CG1-CB 4.15Å; V266-E297 HydrophobicContact CG2-CB 4Å; P294-E297 HydrophobicContact CB-CB 4.14Å; P294-E297 HydrophobicContact CB-CG 4.15Å; P294-E297 PolarHBondContact O-N 2.92Å; V295-E297 VanDerWaalsContact C-N 3.3Å; V295-E297 PolarHBondContact O-N 3.01Å; E297-K300 WeakPolarHBondContact O-CB 3.26Å; E297-K300 PolarHBondContact O-N 3.4Å
298	V	98.8	Very high	98.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.4	-35.9	175.5	177.5	0	0	0	0	111.1	V264 V266 M269 L280 C282 P294 V295 K300 L301 A302 L309	V264-V298 HydrophobicContact CG1-CG2 4.3Å; V266-V298 HydrophobicContact CG2-CG2 4.07Å; M269-V298 HydrophobicContact CE-CG1 4.43Å; M269-V298 HydrophobicContact CE-CG2 4.45Å; M269-V298 HydrophobicContact SD-CB 4.33Å; M269-V298 HydrophobicContact SD-CG1 3.48Å; M269-V298 WeakPolarHBondContact SD-CG1 3.27Å; M269-V298 HydrophobicContact SD-CG2 3.91Å; L280-V298 HydrophobicContact CB-CG1 4.12Å; L280-V298 HydrophobicContact CD1-CG1 4.04Å; C282-V298 WeakPolarHBondContact SG-CB 3.04Å; C282-V298 WeakPolarHBondContact SG-CG2 3.39Å; P294-V298 PolarHBondContact O-N 2.92Å; P294-V298 VanDerWaalsContact O-N 3.13Å; V295-V298 PolarHBondContact O-N 3.41Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 2.87Å; V298-L301 WeakPolarHBondContact O-CA 3.25Å; V298-L301 VanDerWaalsContact O-CB 3.29Å; V298-L301 WeakPolarHBondContact O-CB 3.39Å; V298-L301 PolarHBondContact O-N 3.32Å; V298-A302 PolarHBondContact O-N 3.18Å; V298-L309 HydrophobicContact CG1-CD1 3.74Å; V298-L309 HydrophobicContact CG1-CD2 4.26Å
299	A	98.8	Very high	98.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-33.9	175.2	0	0	0	0	0	112.3	V295 L301 A302 V303 L309 V337	V295-A299 WeakPolarHBondContact O-CB 3.35Å; V295-A299 PolarHBondContact O-N 2.98Å; A299-L301 VanDerWaalsContact C-N 3.28Å; A299-L301 PolarHBondContact O-N 3.29Å; A299-A302 WeakPolarHBondContact O-CB 3.31Å; A299-A302 PolarHBondContact O-N 3.39Å; A299-V303 WeakPolarHBondContact O-CG2 3.42Å; A299-V303 PolarHBondContact O-N 2.92Å; A299-L309 HydrophobicContact CB-CD2 3.7Å; A299-V337 HydrophobicContact CB-CG1 3.42Å; A299-V337 VanDerWaalsContact CB-CG1 3.42Å
300	K	98.8	Very high	98.6	Very high	148 Å²	148	40.7 Å²	40.7	64%	0.643	19%	0.189	S	C	*	.	H	α-helix	trans	-61.4	-36.2	171.1	-70	167.1	-172.5	172.7	0	112	E296 E297 V298 R304	E296-K300 WeakPolarHBondContact O-CG 3.47Å; E296-K300 PolarHBondContact O-N 3.4Å; E297-K300 WeakPolarHBondContact O-CB 3.26Å; E297-K300 PolarHBondContact O-N 3.4Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 2.87Å; K300-R304 VanDerWaalsContact O-CB 3.25Å; K300-R304 WeakPolarHBondContact O-CB 3.5Å; K300-R304 PolarHBondContact O-N 3.29Å
301	L	98.8	Very high	98.6	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-48.1	172.3	-56.2	-179.6	0	0	0	110.6	V266 M269 R270 I273 L280 V298 A299 V303 R304 Y305	V266-L301 HydrophobicContact CG1-CD1 3.78Å; V266-L301 HydrophobicContact CG1-CG 4.31Å; M269-L301 HydrophobicContact CB-CD1 4.37Å; M269-L301 HydrophobicContact CG-CD1 4.31Å; M269-L301 HydrophobicContact SD-CD1 4.46Å; R270-L301 HydrophobicContact CB-CD1 4Å; R270-L301 HydrophobicContact CB-CD2 3.99Å; R270-L301 HydrophobicContact CG-CD2 3.95Å; I273-L301 HydrophobicContact CD1-CB 4.26Å; I273-L301 HydrophobicContact CD1-CD1 4.5Å; L280-L301 HydrophobicContact CD1-CB 3.99Å; V298-L301 WeakPolarHBondContact O-CA 3.25Å; V298-L301 VanDerWaalsContact O-CB 3.29Å; V298-L301 WeakPolarHBondContact O-CB 3.39Å; V298-L301 PolarHBondContact O-N 3.32Å; A299-L301 VanDerWaalsContact C-N 3.28Å; A299-L301 PolarHBondContact O-N 3.29Å; L301-V303 VanDerWaalsContact C-N 3.3Å; L301-V303 PolarHBondContact O-N 3.24Å; L301-R304 PolarHBondContact O-N 3.15Å; L301-R304 VanDerWaalsContact O-N 3.09Å; L301-Y305 HydrophobicContact CB-CD2 4.36Å; L301-Y305 HydrophobicContact CD2-CE2 4.24Å; L301-Y305 VanDerWaalsContact O-CD2 3.27Å; L301-Y305 WeakPolarHBondContact O-CD2 3.33Å; L301-Y305 PolarHBondContact O-N 3.24Å
302	A	98.8	Very high	98.6	Very high	3 Å²	3	41 Å²	41	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-52.5	-47.5	178.3	0	0	0	0	0	111.9	L280 V298 A299 D306 I307 L309	L280-A302 HydrophobicContact CD1-CB 4.19Å; V298-A302 PolarHBondContact O-N 3.18Å; A299-A302 WeakPolarHBondContact O-CB 3.31Å; A299-A302 PolarHBondContact O-N 3.39Å; A302-D306 WeakPolarHBondContact O-CA 3.49Å; A302-D306 PolarHBondContact O-N 2.98Å; A302-I307 WeakPolarHBondContact CA-O 3.2Å; A302-I307 VanDerWaalsContact CB-O 3.26Å; A302-I307 WeakPolarHBondContact CB-O 3.2Å; A302-I307 PolarHBondContact O-N 3.2Å; A302-L309 HydrophobicContact CB-CB 3.8Å
303	V	98.8	Very high	98.7	Very high	70 Å²	70	40.8 Å²	40.8	42%	0.424	19%	0.19	S	C	.	.	H	α-helix	trans	-65.6	-45.6	176	174.1	0	0	0	0	111.9	A299 L301 Y305 K338	A299-V303 WeakPolarHBondContact O-CG2 3.42Å; A299-V303 PolarHBondContact O-N 2.92Å; L301-V303 VanDerWaalsContact C-N 3.3Å; L301-V303 PolarHBondContact O-N 3.24Å; V303-Y305 VanDerWaalsContact C-N 3.31Å; V303-Y305 PolarHBondContact O-N 3.31Å; V303-K338 HydrophobicContact CG2-CG 4.1Å; V303-K338 WeakPolarHBondContact CG2-O 3.5Å
304	R	98.6	Very high	98.7	Very high	180 Å²	180	41 Å²	41	68%	0.679	19%	0.191	S	C	*	.	H	α-helix	trans	-63.5	-36.6	-177	177.8	175.4	179.2	163.7	2.3	112.9	K300 L301	K300-R304 VanDerWaalsContact O-CB 3.25Å; K300-R304 WeakPolarHBondContact O-CB 3.5Å; K300-R304 PolarHBondContact O-N 3.29Å; L301-R304 PolarHBondContact O-N 3.15Å; L301-R304 VanDerWaalsContact O-N 3.09Å
305	Y	98.3	Very high	98.5	Very high	88 Å²	88	40.6 Å²	40.6	35%	0.345	19%	0.188	S	C	.	.	H	α-helix	trans	-102.9	0.3	-174.7	-67.2	-79	0	0	0	113.6	R270 I273 L301 V303	R270-Y305 HydrophobicContact CG-CE2 4.36Å; I273-Y305 HydrophobicContact CD1-CD2 3.52Å; I273-Y305 HydrophobicContact CD1-CE2 3.78Å; I273-Y305 HydrophobicContact CD1-CG 4.09Å; I273-Y305 HydrophobicContact CG2-CD1 4.06Å; I273-Y305 HydrophobicContact CG2-CE1 4.45Å; I273-Y305 HydrophobicContact CG2-CG 4.11Å; L301-Y305 HydrophobicContact CB-CD2 4.36Å; L301-Y305 HydrophobicContact CD2-CE2 4.24Å; L301-Y305 VanDerWaalsContact O-CD2 3.27Å; L301-Y305 WeakPolarHBondContact O-CD2 3.33Å; L301-Y305 PolarHBondContact O-N 3.24Å; V303-Y305 VanDerWaalsContact C-N 3.31Å; V303-Y305 PolarHBondContact O-N 3.31Å
306	D	97.9	Very high	98	Very high	115 Å²	115	40.5 Å²	40.5	62%	0.615	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	53.9	-175.6	-167.9	44.1	0	0	0	112.7	R224 A302	R224-D306 PolarHBondContact NH1-O 3Å; A302-D306 WeakPolarHBondContact O-CA 3.49Å; A302-D306 PolarHBondContact O-N 2.98Å
307	I	98.7	Very high	97.8	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.062	17%	0.169	C	C	.	.			trans	-123.1	131.2	-179.6	-63.4	165.8	0	0	0	108.1	I273 T277 L280 A302	I273-I307 HydrophobicContact CG2-CD1 3.66Å; T277-I307 HydrophobicContact CG2-CD1 3.77Å; T277-I307 HydrophobicContact CG2-CG1 4.48Å; T277-I307 HydrophobicContact CG2-CG2 3.84Å; L280-I307 HydrophobicContact CD2-CG2 4.41Å; L280-I307 HydrophobicContact CG-CG2 3.94Å; A302-I307 WeakPolarHBondContact CA-O 3.2Å; A302-I307 VanDerWaalsContact CB-O 3.26Å; A302-I307 WeakPolarHBondContact CB-O 3.2Å; A302-I307 PolarHBondContact O-N 3.2Å
308	P	98.9	Very high	97.8	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.039	15%	0.146	C	C	.	.			trans	-54	139.2	173	-27.5	34.6	0	0	0	113.8	Y217 M220 A278 M279 L280 T341	Y217-P308 HydrophobicContact CD1-CB 3.55Å; Y217-P308 HydrophobicContact CD1-CG 3.57Å; Y217-P308 HydrophobicContact CD2-CB 3.95Å; Y217-P308 HydrophobicContact CE1-CB 3.44Å; Y217-P308 VanDerWaalsContact CE1-CB 3.44Å; Y217-P308 HydrophobicContact CE1-CG 3.81Å; Y217-P308 HydrophobicContact CE2-CB 3.83Å; Y217-P308 HydrophobicContact CG-CB 3.81Å; Y217-P308 HydrophobicContact CG-CG 4.05Å; M220-P308 HydrophobicContact CE-CG 3.31Å; M220-P308 HydrophobicContact SD-CG 4.42Å; A278-P308 WeakPolarHBondContact O-CD 3.16Å; M279-P308 WeakPolarHBondContact CA-O 3.32Å; L280-P308 PolarHBondContact N-O 3.39Å; P308-T341 WeakPolarHBondContact CA-OG1 3.31Å; P308-T341 WeakPolarHBondContact CB-OG1 3.44Å
309	L	98.9	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.6	168.7	172.8	59.5	0	0	0	110	L280 C282 V295 V298 A299 A302 V311 G339 V340 T341 S342	L280-L309 HydrophobicContact CB-CD1 3.97Å; L280-L309 WeakPolarHBondContact O-CA 3.19Å; L280-L309 WeakPolarHBondContact O-CD1 3.05Å; C282-L309 HydrophobicContact CB-CD1 4.45Å; V295-L309 HydrophobicContact CG1-CD2 4.38Å; V298-L309 HydrophobicContact CG1-CD1 3.74Å; V298-L309 HydrophobicContact CG1-CD2 4.26Å; A299-L309 HydrophobicContact CB-CD2 3.7Å; A302-L309 HydrophobicContact CB-CB 3.8Å; L309-V311 HydrophobicContact CG-CG2 4.4Å; L309-G339 WeakPolarHBondContact CB-O 3.46Å; L309-V340 HydrophobicContact CD2-CG2 3.94Å; L309-T341 PolarHBondContact N-OG1 2.88Å; L309-T341 PolarHBondContact O-N 3Å; L309-T341 PolarHBondContact O-OG1 2.99Å; L309-S342 PolarHBondContact O-N 3.42Å
310	H	98.9	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.6	168.5	-175.9	73.8	0	0	0	110.6	Y217 F241 M279 L280 V281 C282 S342 S344	Y217-H310 HydrophobicContact CE2-CB 4.23Å; F241-H310 AromaticContact CZ-CD2 3.77Å; M279-H310 HydrophobicContact CE-CB 3.62Å; L280-H310 PolarHBondContact O-N 3.32Å; V281-H310 WeakPolarHBondContact CA-O 3.2Å; C282-H310 PolarHBondContact N-O 2.9Å; H310-S342 PolarHBondContact ND1-OG 2.95Å; H310-S344 PolarHBondContact NE2-OG 2.76Å
311	V	98.9	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.4	170.4	-178.6	0	0	0	0	109.1	C282 A284 V295 L309 A313 V340 S342 I343 S344	C282-V311 CarbonylContact O-C 3.57Å; C282-V311 WeakPolarHBondContact O-CA 3.31Å; A284-V311 HydrophobicContact CB-CG1 3.69Å; V295-V311 HydrophobicContact CG1-CG2 3.74Å; V295-V311 HydrophobicContact CG2-CG1 4.28Å; V295-V311 HydrophobicContact CG2-CG2 4.31Å; L309-V311 HydrophobicContact CG-CG2 4.4Å; V311-A313 PolarHBondContact O-N 3.29Å; V311-A313 VanDerWaalsContact O-N 3.1Å; V311-V340 HydrophobicContact CG2-CG1 3.84Å; V311-V340 HydrophobicContact CG2-CG2 3.87Å; V311-S342 PolarHBondContact N-O 3.46Å; V311-I343 HydrophobicContact CB-CG1 4.29Å; V311-I343 VanDerWaalsContact O-CA 3.31Å; V311-I343 WeakPolarHBondContact O-CA 3.39Å; V311-S344 PolarHBondContact O-N 2.93Å
312	D	98.9	Very high	97.7	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.048	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	94.1	173	177.8	13.4	0	0	0	109.8	F241 C282 S283 A284 C314 S344	F241-D312 HydrophobicContact CE2-CB 4.35Å; F241-D312 HydrophobicContact CZ-CB 4.41Å; C282-D312 PolarHBondContact O-N 3.21Å; S283-D312 WeakPolarHBondContact CA-O 3.39Å; A284-D312 PolarHBondContact N-O 3.37Å; D312-C314 WeakPolarHBondContact OD1-CB 3.49Å; D312-C314 PolarHBondContact OD1-N 2.87Å; D312-C314 PolarHBondContact OD1-SG 3.32Å; D312-S344 PolarHBondContact OD1-OG 3.15Å
313	A	98.7	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	12%	0.12	C	C	.	.			trans	-102.9	24.7	171.7	0	0	0	0	0	111.1	F192 A284 V311 L315 G317 I320 I343 S344	F192-A313 HydrophobicContact CE1-CB 4.19Å; F192-A313 HydrophobicContact CZ-CB 4.18Å; A284-A313 HydrophobicContact CB-CB 4.22Å; V311-A313 PolarHBondContact O-N 3.29Å; V311-A313 VanDerWaalsContact O-N 3.1Å; A313-L315 VanDerWaalsContact C-N 3.3Å; A313-L315 PolarHBondContact O-N 3.42Å; A313-G317 WeakPolarHBondContact O-CA 2.98Å; A313-G317 PolarHBondContact O-N 3.18Å; A313-I320 HydrophobicContact CB-CD1 4.02Å; A313-I343 HydrophobicContact CB-CG2 3.91Å; A313-S344 CarbonylContact C-O 3.18Å; A313-S344 WeakPolarHBondContact CA-O 3.46Å; A313-S344 VanDerWaalsContact CB-O 3.32Å; A313-S344 WeakPolarHBondContact CB-O 3.41Å; A313-S344 PolarHBondContact N-O 3.13Å
314	C	98.5	Very high	97.7	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.041	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-48.7	-177.6	-71.5	0	0	0	0	110.5	G206 D312 S344 D346 K349	G206-C314 VanDerWaalsContact CA-SG 3.51Å; D312-C314 WeakPolarHBondContact OD1-CB 3.49Å; D312-C314 PolarHBondContact OD1-N 2.87Å; D312-C314 PolarHBondContact OD1-SG 3.32Å; C314-S344 PolarHBondContact N-O 3.48Å; C314-S344 VanDerWaalsContact N-O 3.11Å; C314-S344 WeakPolarHBondContact SG-CB 3.35Å; C314-S344 PolarHBondContact SG-OG 2.92Å; C314-D346 WeakPolarHBondContact CB-OD2 3.13Å; C314-D346 VanDerWaalsContact O-CB 3.23Å; C314-D346 WeakPolarHBondContact O-CB 3.34Å; C314-D346 PolarHBondContact O-N 3.33Å; C314-K349 WeakPolarHBondContact O-CD 3.48Å
315	L	94.4	Very high	97.7	Very high	7 Å²	7	28 Å²	28	4%	0.037	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-60.1	177.5	-179.3	61.9	0	0	0	111.9	P285 F287 A313 K349 Y350 V446	P285-L315 HydrophobicContact CG-CD2 4.39Å; F287-L315 HydrophobicContact CB-CD2 4.5Å; F287-L315 HydrophobicContact CD2-CD2 4.28Å; A313-L315 VanDerWaalsContact C-N 3.3Å; A313-L315 PolarHBondContact O-N 3.42Å; L315-K349 HydrophobicContact CD1-CD 4.06Å; L315-Y350 HydrophobicContact CD1-CE2 4.02Å; L315-Y350 HydrophobicContact CG-CE2 4.48Å; L315-Y350 WeakPolarHBondContact O-CD2 3.18Å; L315-Y350 VanDerWaalsContact O-CE2 3.28Å; L315-Y350 WeakPolarHBondContact O-CE2 3.49Å; L315-V446 HydrophobicContact CD2-CG2 3.64Å
316	G	89	Confident	97.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.1	-166.7	0	0	0	0	0	116.1	F318 L319 I320	G316-F318 PolarHBondContact O-N 3.27Å; G316-L319 WeakPolarHBondContact O-CA 3.23Å; G316-L319 WeakPolarHBondContact O-CB 3.38Å; G316-L319 PolarHBondContact O-N 2.86Å; G316-I320 WeakPolarHBondContact O-CG1 3.19Å; G316-I320 PolarHBondContact O-N 2.91Å
317	G	93.5	Very high	97.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-49.9	-54.9	-164.2	0	0	0	0	0	114.4	A313 L319 I320 V321	A313-G317 WeakPolarHBondContact O-CA 2.98Å; A313-G317 PolarHBondContact O-N 3.18Å; G317-L319 PolarHBondContact O-N 3.2Å; G317-I320 WeakPolarHBondContact O-CG1 3.3Å; G317-I320 PolarHBondContact O-N 3.42Å; G317-V321 WeakPolarHBondContact O-CG1 3.43Å; G317-V321 VanDerWaalsContact O-CG2 3.31Å; G317-V321 WeakPolarHBondContact O-CG2 3.02Å; G317-V321 PolarHBondContact O-N 3.05Å
318	F	98.5	Very high	97.6	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.013	13%	0.127	C	C	.	.	H	α-helix	trans	-79.7	12.7	179	-74.4	-94.8	0	0	0	114.5	L191 G316 F322 A345 T347 Y350 G351 M404 Y412	L191-F318 HydrophobicContact CD1-CD1 4.36Å; L191-F318 HydrophobicContact CD1-CE1 3.92Å; G316-F318 PolarHBondContact O-N 3.27Å; F318-F322 HydrophobicContact CD1-CE2 4.36Å; F318-F322 VanDerWaalsContact O-CD2 3.23Å; F318-F322 WeakPolarHBondContact O-CD2 3.34Å; F318-F322 WeakPolarHBondContact O-CE2 3.49Å; F318-A345 HydrophobicContact CD2-CB 4.49Å; F318-A345 HydrophobicContact CE2-CB 4.19Å; F318-T347 HydrophobicContact CE2-CG2 3.64Å; F318-T347 HydrophobicContact CZ-CG2 3.51Å; F318-Y350 WeakPolarHBondContact CB-O 3.32Å; F318-G351 VanDerWaalsContact CB-N 3.33Å; F318-M404 HydrophobicContact CE1-CE 4.09Å; F318-M404 HydrophobicContact CZ-CE 4.41Å; F318-Y412 HydrophobicContact CD1-CE1 4.29Å
319	L	98.6	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-108.6	-53.2	162.1	-66.7	175.5	0	0	0	110.2	G316 G317 V321 F322 M323 Y350 T416 I419 V444	G316-L319 WeakPolarHBondContact O-CA 3.23Å; G316-L319 WeakPolarHBondContact O-CB 3.38Å; G316-L319 PolarHBondContact O-N 2.86Å; G317-L319 PolarHBondContact O-N 3.2Å; L319-V321 PolarHBondContact O-N 3Å; L319-F322 PolarHBondContact O-N 3.35Å; L319-M323 WeakPolarHBondContact O-CG 3.5Å; L319-M323 PolarHBondContact O-N 2.85Å; L319-M323 VanDerWaalsContact O-N 3.1Å; L319-Y350 HydrophobicContact CD1-CD1 3.74Å; L319-Y350 HydrophobicContact CD1-CD2 3.55Å; L319-Y350 HydrophobicContact CD1-CE1 3.69Å; L319-Y350 HydrophobicContact CD1-CE2 3.5Å; L319-Y350 HydrophobicContact CD1-CG 3.68Å; L319-Y350 HydrophobicContact CD2-CD1 3.83Å; L319-Y350 HydrophobicContact CD2-CE1 4.43Å; L319-Y350 HydrophobicContact CD2-CG 3.94Å; L319-Y350 HydrophobicContact CG-CD1 3.79Å; L319-Y350 HydrophobicContact CG-CD2 3.67Å; L319-Y350 HydrophobicContact CG-CE1 4.27Å; L319-Y350 HydrophobicContact CG-CE2 4.17Å; L319-Y350 HydrophobicContact CG-CG 3.47Å; L319-Y350 VanDerWaalsContact CG-CG 3.47Å; L319-T416 HydrophobicContact CB-CG2 4.48Å; L319-T416 HydrophobicContact CD2-CG2 4.17Å; L319-I419 HydrophobicContact CD1-CG2 4.23Å; L319-I419 HydrophobicContact CD2-CD1 3.96Å; L319-I419 HydrophobicContact CD2-CG2 4.47Å; L319-V444 HydrophobicContact CB-CG1 4.05Å; L319-V444 HydrophobicContact CD1-CG1 3.7Å
320	I	98.4	Very high	97.2	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-32.8	-170.5	64.2	-179.7	0	0	0	112.5	F192 A284 M292 A313 G316 G317 F322 M323 L330 F333 V444	F192-I320 HydrophobicContact CE1-CD1 4.43Å; A284-I320 HydrophobicContact CB-CD1 3.89Å; M292-I320 HydrophobicContact CE-CD1 4.41Å; M292-I320 HydrophobicContact CE-CG2 4.39Å; M292-I320 HydrophobicContact SD-CG2 4.19Å; A313-I320 HydrophobicContact CB-CD1 4.02Å; G316-I320 WeakPolarHBondContact O-CG1 3.19Å; G316-I320 PolarHBondContact O-N 2.91Å; G317-I320 WeakPolarHBondContact O-CG1 3.3Å; G317-I320 PolarHBondContact O-N 3.42Å; I320-F322 PolarHBondContact O-N 3.3Å; I320-M323 PolarHBondContact O-N 3.26Å; I320-L330 HydrophobicContact CB-CD1 3.91Å; I320-L330 HydrophobicContact CG2-CD1 3.82Å; I320-F333 HydrophobicContact CB-CD1 4.48Å; I320-F333 HydrophobicContact CB-CE1 3.79Å; I320-F333 HydrophobicContact CB-CE2 4.16Å; I320-F333 HydrophobicContact CB-CZ 3.63Å; I320-F333 HydrophobicContact CD1-CD1 4.31Å; I320-F333 HydrophobicContact CD1-CD2 3.52Å; I320-F333 HydrophobicContact CD1-CE1 4.24Å; I320-F333 HydrophobicContact CD1-CE2 3.44Å; I320-F333 VanDerWaalsContact CD1-CE2 3.44Å; I320-F333 HydrophobicContact CD1-CG 4.01Å; I320-F333 HydrophobicContact CD1-CZ 3.83Å; I320-F333 HydrophobicContact CG1-CD2 4.14Å; I320-F333 HydrophobicContact CG1-CE1 4.1Å; I320-F333 HydrophobicContact CG1-CE2 3.51Å; I320-F333 HydrophobicContact CG1-CZ 3.51Å; I320-F333 WeakPolarHBondContact O-CZ 3.3Å; I320-V444 HydrophobicContact CG2-CG1 4.13Å; I320-V444 HydrophobicContact CG2-CG2 3.92Å
321	V	98.6	Very high	96.9	Very high	26 Å²	26	32.7 Å²	32.7	16%	0.158	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22	176.1	-60.8	0	0	0	0	113.3	L191 F192 G317 L319 F333	L191-V321 HydrophobicContact CB-CB 4.27Å; L191-V321 HydrophobicContact CB-CG1 4.3Å; L191-V321 HydrophobicContact CB-CG2 4.2Å; L191-V321 HydrophobicContact CD1-CG2 4.49Å; L191-V321 HydrophobicContact CD2-CG2 4.35Å; F192-V321 HydrophobicContact CD1-CG1 3.69Å; F192-V321 HydrophobicContact CD2-CG1 4.23Å; F192-V321 HydrophobicContact CE1-CG1 3.5Å; F192-V321 VanDerWaalsContact CE1-CG1 3.5Å; F192-V321 HydrophobicContact CE2-CG1 4.04Å; F192-V321 HydrophobicContact CG-CG1 4.07Å; F192-V321 HydrophobicContact CZ-CG1 3.68Å; G317-V321 WeakPolarHBondContact O-CG1 3.43Å; G317-V321 VanDerWaalsContact O-CG2 3.31Å; G317-V321 WeakPolarHBondContact O-CG2 3.02Å; G317-V321 PolarHBondContact O-N 3.05Å; L319-V321 PolarHBondContact O-N 3Å; V321-F333 HydrophobicContact CG1-CE2 4.31Å
322	F	98.8	Very high	96.8	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.018	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-9.4	179.3	-56.3	-71.2	0	0	0	113.6	L191 F318 L319 I320 K324 K325 A326 E409 Y412 V413 T416	L191-F322 HydrophobicContact CD1-CZ 4Å; L191-F322 HydrophobicContact CD2-CE1 3.6Å; L191-F322 HydrophobicContact CD2-CZ 3.6Å; L191-F322 HydrophobicContact CG-CZ 4.46Å; F318-F322 HydrophobicContact CD1-CE2 4.36Å; F318-F322 VanDerWaalsContact O-CD2 3.23Å; F318-F322 WeakPolarHBondContact O-CD2 3.34Å; F318-F322 WeakPolarHBondContact O-CE2 3.49Å; L319-F322 PolarHBondContact O-N 3.35Å; I320-F322 PolarHBondContact O-N 3.3Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 3.04Å; F322-K325 PolarHBondContact O-N 3.21Å; F322-A326 PolarHBondContact O-N 3.41Å; F322-E409 HydrophobicContact CD1-CG 4.38Å; F322-E409 HydrophobicContact CE1-CG 4.13Å; F322-Y412 HydrophobicContact CD2-CG 4.29Å; F322-Y412 HydrophobicContact CE1-CD2 4.32Å; F322-Y412 HydrophobicContact CE1-CG 4.33Å; F322-Y412 HydrophobicContact CE2-CD1 4.05Å; F322-Y412 HydrophobicContact CE2-CD2 4.01Å; F322-Y412 AromaticContact CE2-CG 3.57Å; F322-Y412 HydrophobicContact CE2-CG 3.57Å; F322-Y412 VanDerWaalsContact CZ-CB 3.44Å; F322-Y412 HydrophobicContact CZ-CD1 4.46Å; F322-Y412 AromaticContact CZ-CD2 3.59Å; F322-Y412 HydrophobicContact CZ-CD2 3.59Å; F322-Y412 HydrophobicContact CZ-CE2 4.49Å; F322-Y412 AromaticContact CZ-CG 3.6Å; F322-Y412 HydrophobicContact CZ-CG 3.6Å; F322-V413 HydrophobicContact CB-CG2 4.14Å; F322-V413 HydrophobicContact CD1-CG2 3.99Å; F322-V413 HydrophobicContact CG-CG2 4.42Å; F322-T416 HydrophobicContact CB-CG2 4.36Å
323	M	98.2	Very high	96.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-48.2	-176.7	-78.2	-76.7	-82.5	0	0	113.1	L319 I320 K325 A326 G327 Y328 L330 T416 I420 E443	L319-M323 WeakPolarHBondContact O-CG 3.5Å; L319-M323 PolarHBondContact O-N 2.85Å; L319-M323 VanDerWaalsContact O-N 3.1Å; I320-M323 PolarHBondContact O-N 3.26Å; M323-K325 VanDerWaalsContact C-N 3.32Å; M323-K325 PolarHBondContact O-N 3.28Å; M323-A326 CarbonylContact O-C 3.52Å; M323-A326 PolarHBondContact O-N 3Å; M323-A326 VanDerWaalsContact O-N 3.12Å; M323-G327 PolarHBondContact O-N 2.91Å; M323-Y328 CarbonylContact C-O 3.51Å; M323-Y328 HydrophobicContact CE-CD2 4.45Å; M323-Y328 HydrophobicContact CE-CG 4.21Å; M323-Y328 PolarHBondContact O-N 2.76Å; M323-Y328 HydrophobicContact SD-CD2 3.9Å; M323-Y328 HydrophobicContact SD-CG 4.23Å; M323-L330 HydrophobicContact CB-CD1 3.95Å; M323-L330 HydrophobicContact CB-CG 4.23Å; M323-L330 HydrophobicContact CE-CD1 3.91Å; M323-L330 HydrophobicContact CE-CD2 3.93Å; M323-L330 HydrophobicContact CE-CG 3.81Å; M323-L330 HydrophobicContact CG-CD1 3.64Å; M323-L330 HydrophobicContact CG-CG 4.26Å; M323-T416 HydrophobicContact CG-CG2 4.38Å; M323-T416 HydrophobicContact SD-CG2 4.07Å; M323-I420 HydrophobicContact CE-CD1 4.21Å; M323-I420 HydrophobicContact CE-CG2 4.2Å; M323-I420 HydrophobicContact SD-CB 4.36Å; M323-I420 HydrophobicContact SD-CD1 3.6Å; M323-I420 VanDerWaalsContact SD-CD1 3.6Å; M323-I420 HydrophobicContact SD-CG1 3.53Å; M323-I420 VanDerWaalsContact SD-CG1 3.53Å; M323-I420 HydrophobicContact SD-CG2 4.12Å; M323-E443 WeakPolarHBondContact CE-O 3.3Å
324	K	97.8	Very high	96.8	Very high	177 Å²	177	34.8 Å²	34.8	77%	0.77	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-45.2	179.8	-177.1	179.1	178	-178.5	0	111.7	F322 A326 G327 Y328	F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 3.04Å; K324-A326 VanDerWaalsContact C-N 3.33Å; K324-G327 PolarHBondContact O-N 3.26Å; K324-Y328 WeakPolarHBondContact CA-O 3.46Å; K324-Y328 PolarHBondContact N-O 3.1Å
325	K	98.3	Very high	96.8	Very high	128 Å²	128	35.9 Å²	35.9	56%	0.557	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.2	179.8	-64.6	-171.7	177.5	-179.9	0	112.1	F322 M323 G327 E409 V413	F322-K325 PolarHBondContact O-N 3.21Å; M323-K325 VanDerWaalsContact C-N 3.32Å; M323-K325 PolarHBondContact O-N 3.28Å; K325-G327 PolarHBondContact O-N 3.12Å; K325-E409 WeakPolarHBondContact CD-OE1 3.27Å; K325-E409 VanDerWaalsContact CE-OE1 3.26Å; K325-E409 WeakPolarHBondContact CE-OE1 3.46Å; K325-E409 IonicContact NZ-OE1 3.61Å; K325-E409 PolarHBondContact NZ-OE1 2.87Å; K325-E409 IonicContact NZ-OE2 3.8Å; K325-E409 PolarHBondContact NZ-OE2 2.93Å; K325-V413 HydrophobicContact CB-CG1 4.32Å; K325-V413 HydrophobicContact CB-CG2 3.77Å; K325-V413 HydrophobicContact CD-CG2 4.43Å
326	A	98.3	Very high	97	Very high	11 Å²	11	42.2 Å²	42.2	9%	0.091	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	1.7	172.2	0	0	0	0	0	113.9	F322 M323 K324 Y328 V413 T416 K417	F322-A326 PolarHBondContact O-N 3.41Å; M323-A326 CarbonylContact O-C 3.52Å; M323-A326 PolarHBondContact O-N 3Å; M323-A326 VanDerWaalsContact O-N 3.12Å; K324-A326 VanDerWaalsContact C-N 3.33Å; A326-Y328 HydrophobicContact CB-CD2 3.98Å; A326-Y328 HydrophobicContact CB-CE2 4.26Å; A326-V413 HydrophobicContact CB-CG1 4.26Å; A326-T416 HydrophobicContact CB-CG2 3.96Å; A326-K417 HydrophobicContact CB-CB 4.23Å
327	G	97.8	Very high	97.4	Very high	67 Å²	67	42.8 Å²	42.8	69%	0.691	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	17.1	178.2	0	0	0	0	0	114.9	M323 K324 K325	M323-G327 PolarHBondContact O-N 2.91Å; K324-G327 PolarHBondContact O-N 3.26Å; K325-G327 PolarHBondContact O-N 3.12Å
328	Y	96.9	Very high	97.7	Very high	38 Å²	38	51 Å²	51	15%	0.149	27%	0.266	C	S	.	.			trans	-119	127.4	180	-54.5	-61.7	0	0	0	111.4	M323 K324 A326 K417 I420 G421	M323-Y328 CarbonylContact C-O 3.51Å; M323-Y328 HydrophobicContact CE-CD2 4.45Å; M323-Y328 HydrophobicContact CE-CG 4.21Å; M323-Y328 PolarHBondContact O-N 2.76Å; M323-Y328 HydrophobicContact SD-CD2 3.9Å; M323-Y328 HydrophobicContact SD-CG 4.23Å; K324-Y328 WeakPolarHBondContact CA-O 3.46Å; K324-Y328 PolarHBondContact N-O 3.1Å; A326-Y328 HydrophobicContact CB-CD2 3.98Å; A326-Y328 HydrophobicContact CB-CE2 4.26Å; Y328-K417 PolarHBondContact OH-O 3.05Å; Y328-I420 HydrophobicContact CD1-CG2 4.18Å; Y328-I420 HydrophobicContact CD2-CB 3.94Å; Y328-I420 HydrophobicContact CD2-CG1 4.39Å; Y328-I420 HydrophobicContact CD2-CG2 3.57Å; Y328-I420 HydrophobicContact CE1-CG2 4.04Å; Y328-I420 HydrophobicContact CE2-CB 3.53Å; Y328-I420 HydrophobicContact CE2-CG1 4.34Å; Y328-I420 HydrophobicContact CE2-CG2 3.43Å; Y328-I420 VanDerWaalsContact CE2-CG2 3.43Å; Y328-I420 HydrophobicContact CG-CG2 3.93Å; Y328-G421 PolarHBondContact OH-N 3.3Å
329	S	94.3	Very high	97.7	Very high	102 Å²	102	51.7 Å²	51.7	71%	0.713	28%	0.275	S	S	*	.			trans	-82.7	144.2	174.9	-166	0	0	0	0	111.1
330	L	95.6	Very high	97.7	Very high	29 Å²	29	52 Å²	52	15%	0.152	28%	0.276	C	S	.	.			trans	-138.8	150.9	168.6	-72.8	-178.6	0	0	0	108.9	I320 M323 F333 E443	I320-L330 HydrophobicContact CB-CD1 3.91Å; I320-L330 HydrophobicContact CG2-CD1 3.82Å; M323-L330 HydrophobicContact CB-CD1 3.95Å; M323-L330 HydrophobicContact CB-CG 4.23Å; M323-L330 HydrophobicContact CE-CD1 3.91Å; M323-L330 HydrophobicContact CE-CD2 3.93Å; M323-L330 HydrophobicContact CE-CG 3.81Å; M323-L330 HydrophobicContact CG-CD1 3.64Å; M323-L330 HydrophobicContact CG-CG 4.26Å; L330-F333 HydrophobicContact CB-CE1 4.36Å; L330-F333 HydrophobicContact CD1-CE1 4.14Å; L330-E443 HydrophobicContact CD2-CB 3.84Å
331	T	94	Very high	97.7	Very high	72 Å²	72	52.3 Å²	52.3	44%	0.442	28%	0.279	S	S	.	.			trans	-62	145.4	168.3	49.4	0	0	0	0	110.5	F333	T331-F333 VanDerWaalsContact O-CD1 3.3Å; T331-F333 WeakPolarHBondContact O-CD1 3.32Å; T331-F333 PolarHBondContact O-N 3.16Å
332	P	96.8	Very high	97.7	Very high	46 Å²	46	51.1 Å²	51.1	30%	0.299	27%	0.271	S	S	.	.			trans	-51.7	137.3	175	-28	35.7	0	0	0	113.2	E296 V337	E296-P332 HydrophobicContact CG-CB 4.13Å; P332-V337 HydrophobicContact CB-CG2 3.5Å
333	F	97.8	Very high	97.7	Very high	8 Å²	8	51 Å²	51	4%	0.035	27%	0.271	C	S	.	.			trans	-140.1	-7	-175.6	55	-104.2	0	0	0	113.9	F192 M292 V295 I320 V321 L330 T331	F192-F333 HydrophobicContact CD1-CE2 4.19Å; F192-F333 HydrophobicContact CE1-CD2 4.5Å; F192-F333 HydrophobicContact CE1-CE2 4.07Å; M292-F333 HydrophobicContact CE-CB 4.05Å; M292-F333 HydrophobicContact CE-CD1 3.9Å; M292-F333 HydrophobicContact CE-CG 4.1Å; V295-F333 HydrophobicContact CB-CB 4.49Å; V295-F333 HydrophobicContact CG2-CB 4.1Å; I320-F333 HydrophobicContact CB-CD1 4.48Å; I320-F333 HydrophobicContact CB-CE1 3.79Å; I320-F333 HydrophobicContact CB-CE2 4.16Å; I320-F333 HydrophobicContact CB-CZ 3.63Å; I320-F333 HydrophobicContact CD1-CD1 4.31Å; I320-F333 HydrophobicContact CD1-CD2 3.52Å; I320-F333 HydrophobicContact CD1-CE1 4.24Å; I320-F333 HydrophobicContact CD1-CE2 3.44Å; I320-F333 VanDerWaalsContact CD1-CE2 3.44Å; I320-F333 HydrophobicContact CD1-CG 4.01Å; I320-F333 HydrophobicContact CD1-CZ 3.83Å; I320-F333 HydrophobicContact CG1-CD2 4.14Å; I320-F333 HydrophobicContact CG1-CE1 4.1Å; I320-F333 HydrophobicContact CG1-CE2 3.51Å; I320-F333 HydrophobicContact CG1-CZ 3.51Å; I320-F333 WeakPolarHBondContact O-CZ 3.3Å; V321-F333 HydrophobicContact CG1-CE2 4.31Å; L330-F333 HydrophobicContact CB-CE1 4.36Å; L330-F333 HydrophobicContact CD1-CE1 4.14Å; T331-F333 VanDerWaalsContact O-CD1 3.3Å; T331-F333 WeakPolarHBondContact O-CD1 3.32Å; T331-F333 PolarHBondContact O-N 3.16Å
334	D	98.5	Very high	97.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-109.2	-162.4	-169.8	66.6	18.8	0	0	0	112.5	F192 N193 R336 V337 I343	F192-D334 HydrophobicContact CB-CB 4.15Å; F192-D334 HydrophobicContact CD1-CB 3.8Å; F192-D334 HydrophobicContact CG-CB 4.49Å; F192-D334 WeakPolarHBondContact O-CB 3.35Å; N193-D334 PolarHBondContact ND2-OD2 3.27Å; D334-R336 PolarHBondContact O-N 2.88Å; D334-R336 VanDerWaalsContact OD1-CB 3.27Å; D334-R336 WeakPolarHBondContact OD1-CB 3.48Å; D334-R336 WeakPolarHBondContact OD1-CG 3.34Å; D334-R336 IonicContact OD1-CZ 3.26Å; D334-R336 PolarHBondContact OD1-N 3.46Å; D334-R336 IonicContact OD1-NE 3.85Å; D334-R336 PolarHBondContact OD1-NE 2.85Å; D334-R336 IonicContact OD1-NH2 3.31Å; D334-R336 IonicContact OD2-CZ 2.78Å; D334-R336 VanDerWaalsContact OD2-CZ 3.31Å; D334-R336 IonicContact OD2-NE 3.78Å; D334-R336 PolarHBondContact OD2-NE 2.7Å; D334-R336 VanDerWaalsContact OD2-NE 3.11Å; D334-R336 IonicContact OD2-NH2 2.82Å; D334-R336 PolarHBondContact OD2-NH2 2.83Å; D334-V337 WeakPolarHBondContact O-CB 3.3Å; D334-V337 PolarHBondContact O-N 2.99Å; D334-I343 HydrophobicContact CB-CD1 3.99Å
335	F	98.8	Very high	97.8	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.127	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-9.6	-177.5	-66	-57.8	0	0	0	114.7	F192 V337 V340 I343 L361	F192-F335 HydrophobicContact CB-CD2 4.01Å; F192-F335 HydrophobicContact CB-CE2 4.26Å; F192-F335 WeakPolarHBondContact O-CD2 3.37Å; F192-F335 PolarHBondContact O-N 3.4Å; F335-V337 PolarHBondContact O-N 2.87Å; F335-V340 HydrophobicContact CD1-CG1 4.03Å; F335-V340 HydrophobicContact CE1-CG1 4.22Å; F335-I343 HydrophobicContact CD1-CD1 4.13Å; F335-I343 HydrophobicContact CD1-CG1 4.43Å; F335-I343 HydrophobicContact CD2-CD1 3.85Å; F335-I343 HydrophobicContact CE1-CD1 4.03Å; F335-I343 HydrophobicContact CE1-CG1 3.91Å; F335-I343 HydrophobicContact CE2-CD1 3.76Å; F335-I343 HydrophobicContact CE2-CG1 4.17Å; F335-I343 HydrophobicContact CG-CD1 4.03Å; F335-I343 HydrophobicContact CZ-CB 4.23Å; F335-I343 HydrophobicContact CZ-CD1 3.85Å; F335-I343 HydrophobicContact CZ-CG1 3.77Å; F335-L361 HydrophobicContact CE2-CB 3.92Å; F335-L361 HydrophobicContact CE2-CD1 4.37Å; F335-L361 HydrophobicContact CZ-CB 3.82Å
336	R	98.4	Very high	97.8	Very high	140 Å²	140	36.6 Å²	36.6	53%	0.528	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.1	168.2	-67.2	170.9	-68	171	-4.4	112.2	N193 D334 K338	N193-R336 HydrophobicContact CB-CG 3.62Å; N193-R336 PolarHBondContact ND2-NE 2.95Å; D334-R336 PolarHBondContact O-N 2.88Å; D334-R336 VanDerWaalsContact OD1-CB 3.27Å; D334-R336 WeakPolarHBondContact OD1-CB 3.48Å; D334-R336 WeakPolarHBondContact OD1-CG 3.34Å; D334-R336 IonicContact OD1-CZ 3.26Å; D334-R336 PolarHBondContact OD1-N 3.46Å; D334-R336 IonicContact OD1-NE 3.85Å; D334-R336 PolarHBondContact OD1-NE 2.85Å; D334-R336 IonicContact OD1-NH2 3.31Å; D334-R336 IonicContact OD2-CZ 2.78Å; D334-R336 VanDerWaalsContact OD2-CZ 3.31Å; D334-R336 IonicContact OD2-NE 3.78Å; D334-R336 PolarHBondContact OD2-NE 2.7Å; D334-R336 VanDerWaalsContact OD2-NE 3.11Å; D334-R336 IonicContact OD2-NH2 2.82Å; D334-R336 PolarHBondContact OD2-NH2 2.83Å; R336-K338 PolarHBondContact O-N 3.07Å
337	V	98.8	Very high	97.9	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.067	20%	0.204	C	C	.	.	S	Bend	trans	-81.6	107	177.6	-176.1	0	0	0	0	109.1	V295 E296 A299 P332 D334 F335 G339 V340	V295-V337 HydrophobicContact CG1-CG1 4.47Å; E296-V337 HydrophobicContact CB-CG1 4.45Å; E296-V337 HydrophobicContact CG-CG1 4.09Å; E296-V337 HydrophobicContact CG-CG2 3.96Å; A299-V337 HydrophobicContact CB-CG1 3.42Å; A299-V337 VanDerWaalsContact CB-CG1 3.42Å; P332-V337 HydrophobicContact CB-CG2 3.5Å; D334-V337 WeakPolarHBondContact O-CB 3.3Å; D334-V337 PolarHBondContact O-N 2.99Å; F335-V337 PolarHBondContact O-N 2.87Å; V337-G339 PolarHBondContact O-N 3.37Å; V337-G339 VanDerWaalsContact O-N 3.1Å; V337-V340 HydrophobicContact CB-CG2 3.84Å; V337-V340 HydrophobicContact CG1-CG2 4.14Å; V337-V340 PolarHBondContact O-N 2.96Å
338	K	98.3	Very high	97.9	Very high	174 Å²	174	34.3 Å²	34.3	76%	0.757	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	118.2	175.4	-174.8	-179.3	178.9	178.3	0	110	V303 R336	V303-K338 HydrophobicContact CG2-CG 4.1Å; V303-K338 WeakPolarHBondContact CG2-O 3.5Å; R336-K338 PolarHBondContact O-N 3.07Å
339	G	98.3	Very high	98	Very high	18 Å²	18	33.9 Å²	33.9	19%	0.186	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.9	-24.6	-176.1	0	0	0	0	0	113.3	L309 V337 T341	L309-G339 WeakPolarHBondContact CB-O 3.46Å; V337-G339 PolarHBondContact O-N 3.37Å; V337-G339 VanDerWaalsContact O-N 3.1Å; G339-T341 PolarHBondContact O-N 2.83Å
340	V	98.9	Very high	98.2	Very high	6 Å²	6	29 Å²	29	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	115.2	173.3	176	0	0	0	0	109.4	V295 L309 V311 F335 V337 I343	V295-V340 HydrophobicContact CG1-CG2 3.72Å; L309-V340 HydrophobicContact CD2-CG2 3.94Å; V311-V340 HydrophobicContact CG2-CG1 3.84Å; V311-V340 HydrophobicContact CG2-CG2 3.87Å; F335-V340 HydrophobicContact CD1-CG1 4.03Å; F335-V340 HydrophobicContact CE1-CG1 4.22Å; V337-V340 HydrophobicContact CB-CG2 3.84Å; V337-V340 HydrophobicContact CG1-CG2 4.14Å; V337-V340 PolarHBondContact O-N 2.96Å; V340-I343 HydrophobicContact CG1-CD1 4.11Å; V340-I343 HydrophobicContact CG1-CG1 3.79Å
341	T	98.9	Very high	98.3	Very high	12 Å²	12	27.7 Å²	27.7	7%	0.074	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-24.7	-175.8	49.9	0	0	0	0	113.4	Y217 P308 L309 G339 Y362 S363 Y367	Y217-T341 VanDerWaalsContact OH-C 3.3Å; Y217-T341 WeakPolarHBondContact OH-CB 3.35Å; Y217-T341 PolarHBondContact OH-OG1 3.42Å; P308-T341 WeakPolarHBondContact CA-OG1 3.31Å; P308-T341 WeakPolarHBondContact CB-OG1 3.44Å; L309-T341 PolarHBondContact N-OG1 2.88Å; L309-T341 PolarHBondContact O-N 3Å; L309-T341 PolarHBondContact O-OG1 2.99Å; G339-T341 PolarHBondContact O-N 2.83Å; T341-Y362 WeakPolarHBondContact O-CA 3.5Å; T341-S363 WeakPolarHBondContact CA-OG 3.36Å; T341-S363 PolarHBondContact O-N 3.35Å; T341-S363 PolarHBondContact O-OG 3.08Å; T341-S363 VanDerWaalsContact O-OG 3.12Å; T341-Y367 HydrophobicContact CG2-CE1 4.31Å; T341-Y367 HydrophobicContact CG2-CE2 3.73Å; T341-Y367 WeakPolarHBondContact CG2-OH 3.34Å
342	S	98.9	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157.8	171.3	56.9	0	0	0	0	113.3	Y217 L309 H310 V311 L361	Y217-S342 WeakPolarHBondContact CE2-OG 3.48Å; Y217-S342 WeakPolarHBondContact OH-CB 3.12Å; Y217-S342 PolarHBondContact OH-N 2.94Å; Y217-S342 PolarHBondContact OH-OG 2.97Å; L309-S342 PolarHBondContact O-N 3.42Å; H310-S342 PolarHBondContact ND1-OG 2.95Å; V311-S342 PolarHBondContact N-O 3.46Å; S342-L361 CarbonylContact C-O 3.53Å; S342-L361 WeakPolarHBondContact CA-O 3.46Å; S342-L361 WeakPolarHBondContact CB-O 3.37Å
343	I	99	Very high	98.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.8	177.9	-53.6	176.4	0	0	0	108.5	F192 V311 A313 D334 F335 V340 L361	F192-I343 HydrophobicContact CB-CD1 3.99Å; F192-I343 HydrophobicContact CD1-CD1 3.79Å; F192-I343 HydrophobicContact CD1-CG2 4.06Å; F192-I343 HydrophobicContact CE1-CG2 3.87Å; F192-I343 HydrophobicContact CG-CD1 4.05Å; F192-I343 HydrophobicContact CG-CG2 4.44Å; F192-I343 HydrophobicContact CZ-CG2 4.11Å; V311-I343 HydrophobicContact CB-CG1 4.29Å; V311-I343 VanDerWaalsContact O-CA 3.31Å; V311-I343 WeakPolarHBondContact O-CA 3.39Å; A313-I343 HydrophobicContact CB-CG2 3.91Å; D334-I343 HydrophobicContact CB-CD1 3.99Å; F335-I343 HydrophobicContact CD1-CD1 4.13Å; F335-I343 HydrophobicContact CD1-CG1 4.43Å; F335-I343 HydrophobicContact CD2-CD1 3.85Å; F335-I343 HydrophobicContact CE1-CD1 4.03Å; F335-I343 HydrophobicContact CE1-CG1 3.91Å; F335-I343 HydrophobicContact CE2-CD1 3.76Å; F335-I343 HydrophobicContact CE2-CG1 4.17Å; F335-I343 HydrophobicContact CG-CD1 4.03Å; F335-I343 HydrophobicContact CZ-CB 4.23Å; F335-I343 HydrophobicContact CZ-CD1 3.85Å; F335-I343 HydrophobicContact CZ-CG1 3.77Å; V340-I343 HydrophobicContact CG1-CD1 4.11Å; V340-I343 HydrophobicContact CG1-CG1 3.79Å; I343-L361 PolarHBondContact N-O 3.15Å; I343-L361 WeakPolarHBondContact O-CB 3.05Å; I343-L361 PolarHBondContact O-N 3.28Å
344	S	98.9	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.2	167	54.1	0	0	0	0	110.9	H310 V311 D312 A313 C314 V359	H310-S344 PolarHBondContact NE2-OG 2.76Å; V311-S344 PolarHBondContact O-N 2.93Å; D312-S344 PolarHBondContact OD1-OG 3.15Å; A313-S344 CarbonylContact C-O 3.18Å; A313-S344 WeakPolarHBondContact CA-O 3.46Å; A313-S344 VanDerWaalsContact CB-O 3.32Å; A313-S344 WeakPolarHBondContact CB-O 3.41Å; A313-S344 PolarHBondContact N-O 3.13Å; C314-S344 PolarHBondContact N-O 3.48Å; C314-S344 VanDerWaalsContact N-O 3.11Å; C314-S344 WeakPolarHBondContact SG-CB 3.35Å; C314-S344 PolarHBondContact SG-OG 2.92Å; S344-V359 WeakPolarHBondContact CA-O 3.36Å
345	A	98.9	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	125.8	179.2	0	0	0	0	0	111.9	F192 F318 T347 S358 V359	F192-A345 HydrophobicContact CE2-CB 3.62Å; F192-A345 HydrophobicContact CZ-CB 3.77Å; F318-A345 HydrophobicContact CD2-CB 4.49Å; F318-A345 HydrophobicContact CE2-CB 4.19Å; A345-T347 PolarHBondContact O-N 3.16Å; A345-S358 PolarHBondContact O-OG 3.06Å; A345-S358 VanDerWaalsContact O-OG 3.08Å; A345-V359 HydrophobicContact CB-CG2 4Å; A345-V359 PolarHBondContact N-O 3.02Å; A345-V359 VanDerWaalsContact O-CG2 3.29Å; A345-V359 WeakPolarHBondContact O-CG2 3.37Å; A345-V359 PolarHBondContact O-N 3.18Å
346	D	98.8	Very high	98.4	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.147	C	C	.	.			trans	-85.1	111.1	-177.1	-66.3	-25.7	0	0	0	111.7	G206 C314 H348 K349 S358	G206-D346 WeakPolarHBondContact CA-OD1 3.46Å; G206-D346 PolarHBondContact N-OD1 3.08Å; C314-D346 WeakPolarHBondContact CB-OD2 3.13Å; C314-D346 VanDerWaalsContact O-CB 3.23Å; C314-D346 WeakPolarHBondContact O-CB 3.34Å; C314-D346 PolarHBondContact O-N 3.33Å; D346-H348 PolarHBondContact O-N 3.11Å; D346-H348 IonicContact OD1-CE1 3.95Å; D346-H348 IonicContact OD2-CE1 2.9Å; D346-H348 IonicContact OD2-NE2 3.3Å; D346-K349 HydrophobicContact CB-CB 3.91Å; D346-K349 HydrophobicContact CB-CD 3.83Å; D346-K349 HydrophobicContact CB-CG 3.66Å; D346-K349 PolarHBondContact O-N 3.18Å; D346-K349 WeakPolarHBondContact OD2-CD 3.16Å; D346-K349 WeakPolarHBondContact OD2-CE 3.41Å; D346-K349 IonicContact OD2-NZ 2.74Å; D346-K349 PolarHBondContact OD2-NZ 2.91Å; D346-S358 WeakPolarHBondContact OD1-CB 3.4Å; D346-S358 PolarHBondContact OD1-OG 2.86Å
347	T	98.7	Very high	98.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.6	168.3	47.9	0	0	0	0	111.2	V184 F318 A345 K349 G351 Y352 A353 S357 S358 V359 C400	V184-T347 HydrophobicContact CG1-CG2 4.37Å; F318-T347 HydrophobicContact CE2-CG2 3.64Å; F318-T347 HydrophobicContact CZ-CG2 3.51Å; A345-T347 PolarHBondContact O-N 3.16Å; T347-K349 PolarHBondContact O-N 2.84Å; T347-G351 CarbonylContact O-C 3.49Å; T347-G351 WeakPolarHBondContact O-CA 3.3Å; T347-G351 PolarHBondContact O-N 3.4Å; T347-Y352 PolarHBondContact O-N 3Å; T347-A353 VanDerWaalsContact O-CB 3.31Å; T347-A353 WeakPolarHBondContact O-CB 3.32Å; T347-A353 PolarHBondContact O-N 3.46Å; T347-S357 VanDerWaalsContact OG1-CB 3.29Å; T347-S357 WeakPolarHBondContact OG1-CB 3.25Å; T347-S357 PolarHBondContact OG1-O 3.2Å; T347-S357 PolarHBondContact OG1-OG 3.3Å; T347-S358 PolarHBondContact OG1-N 3.45Å; T347-V359 HydrophobicContact CG2-CG1 4.44Å; T347-C400 VanDerWaalsContact CB-SG 3.51Å
348	H	98.5	Very high	98.4	Very high	29 Å²	29	22.3 Å²	22.3	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	1.9	178.2	77	-96.9	0	0	0	115.8	D346 A353 P354 K355 S357	D346-H348 PolarHBondContact O-N 3.11Å; D346-H348 IonicContact OD1-CE1 3.95Å; D346-H348 IonicContact OD2-CE1 2.9Å; D346-H348 IonicContact OD2-NE2 3.3Å; H348-A353 WeakPolarHBondContact CA-O 3.41Å; H348-P354 WeakPolarHBondContact CB-O 3.17Å; H348-K355 HydrophobicContact CB-CD 4.45Å; H348-K355 PolarHBondContact O-NZ 2.96Å; H348-S357 WeakPolarHBondContact CB-O 3.37Å; H348-S357 PolarHBondContact N-O 3.26Å; H348-S357 VanDerWaalsContact N-O 3.15Å; H348-S357 PolarHBondContact ND1-O 3.5Å
349	K	98.6	Very high	98.5	Very high	29 Å²	29	14 Å²	14	13%	0.126	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-111.7	171.5	-68.3	-174.1	179.5	148.3	0	109.5	Y146 C314 L315 D346 T347 G351 Y352	Y146-K349 WeakPolarHBondContact CB-O 3.44Å; Y146-K349 VanDerWaalsContact CD1-C 3.42Å; Y146-K349 HydrophobicContact CD1-CB 3.96Å; Y146-K349 HydrophobicContact CD2-CB 4.46Å; Y146-K349 HydrophobicContact CE1-CB 3.61Å; Y146-K349 HydrophobicContact CE1-CD 4.41Å; Y146-K349 HydrophobicContact CE1-CG 4.02Å; Y146-K349 HydrophobicContact CE2-CB 4.16Å; Y146-K349 HydrophobicContact CE2-CG 3.88Å; Y146-K349 HydrophobicContact CG-CB 4.37Å; Y146-K349 WeakPolarHBondContact OH-CD 3.12Å; C314-K349 WeakPolarHBondContact O-CD 3.48Å; L315-K349 HydrophobicContact CD1-CD 4.06Å; D346-K349 HydrophobicContact CB-CB 3.91Å; D346-K349 HydrophobicContact CB-CD 3.83Å; D346-K349 HydrophobicContact CB-CG 3.66Å; D346-K349 PolarHBondContact O-N 3.18Å; D346-K349 WeakPolarHBondContact OD2-CD 3.16Å; D346-K349 WeakPolarHBondContact OD2-CE 3.41Å; D346-K349 IonicContact OD2-NZ 2.74Å; D346-K349 PolarHBondContact OD2-NZ 2.91Å; T347-K349 PolarHBondContact O-N 2.84Å; K349-G351 PolarHBondContact O-N 3.42Å; K349-Y352 PolarHBondContact O-N 3.15Å
350	Y	98.6	Very high	98.5	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.3	178.3	-58.6	-75.3	0	0	0	114.1	Y146 L315 F318 L319 Y352 Y412 I419 S445 C482 C483	Y146-Y350 AromaticContact CD1-CD1 3.75Å; Y146-Y350 HydrophobicContact CD1-CD1 3.75Å; Y146-Y350 HydrophobicContact CD1-CD2 4.27Å; Y146-Y350 AromaticContact CD1-CE1 3.66Å; Y146-Y350 HydrophobicContact CD1-CE1 3.66Å; Y146-Y350 HydrophobicContact CD1-CE2 4.2Å; Y146-Y350 HydrophobicContact CD1-CG 4.04Å; Y146-Y350 AromaticContact CD1-CZ 3.88Å; Y146-Y350 HydrophobicContact CE1-CD1 4.26Å; Y146-Y350 HydrophobicContact CE1-CD2 4.08Å; Y146-Y350 AromaticContact CE1-CE1 3.91Å; Y146-Y350 HydrophobicContact CE1-CE1 3.91Å; Y146-Y350 AromaticContact CE1-CE2 3.72Å; Y146-Y350 HydrophobicContact CE1-CE2 3.72Å; Y146-Y350 HydrophobicContact CE1-CG 4.33Å; Y146-Y350 AromaticContact CE1-CZ 3.61Å; L315-Y350 HydrophobicContact CD1-CE2 4.02Å; L315-Y350 HydrophobicContact CG-CE2 4.48Å; L315-Y350 WeakPolarHBondContact O-CD2 3.18Å; L315-Y350 VanDerWaalsContact O-CE2 3.28Å; L315-Y350 WeakPolarHBondContact O-CE2 3.49Å; F318-Y350 WeakPolarHBondContact CB-O 3.32Å; L319-Y350 HydrophobicContact CD1-CD1 3.74Å; L319-Y350 HydrophobicContact CD1-CD2 3.55Å; L319-Y350 HydrophobicContact CD1-CE1 3.69Å; L319-Y350 HydrophobicContact CD1-CE2 3.5Å; L319-Y350 HydrophobicContact CD1-CG 3.68Å; L319-Y350 HydrophobicContact CD2-CD1 3.83Å; L319-Y350 HydrophobicContact CD2-CE1 4.43Å; L319-Y350 HydrophobicContact CD2-CG 3.94Å; L319-Y350 HydrophobicContact CG-CD1 3.79Å; L319-Y350 HydrophobicContact CG-CD2 3.67Å; L319-Y350 HydrophobicContact CG-CE1 4.27Å; L319-Y350 HydrophobicContact CG-CE2 4.17Å; L319-Y350 HydrophobicContact CG-CG 3.47Å; L319-Y350 VanDerWaalsContact CG-CG 3.47Å; Y350-Y352 HydrophobicContact CD1-CE1 4.18Å; Y350-Y352 WeakPolarHBondContact O-CD2 3.39Å; Y350-Y352 WeakPolarHBondContact O-CE2 3.3Å; Y350-Y412 WeakPolarHBondContact O-CE1 3.41Å; Y350-I419 HydrophobicContact CD1-CD1 3.87Å; Y350-I419 HydrophobicContact CE1-CD1 3.99Å; Y350-I419 HydrophobicContact CE1-CG2 4.39Å; Y350-S445 WeakPolarHBondContact OH-CB 3.5Å; Y350-S445 PolarHBondContact OH-OG 2.98Å; Y350-C482 PolarHBondContact OH-SG 2.75Å; Y350-C483 WeakPolarHBondContact CE1-O 3.41Å; Y350-C483 PolarHBondContact OH-O 3.24Å
351	G	98.1	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.4	163	0	0	0	0	0	112.5	F318 T347 K349 A353 T403 Y412	F318-G351 VanDerWaalsContact CB-N 3.33Å; T347-G351 CarbonylContact O-C 3.49Å; T347-G351 WeakPolarHBondContact O-CA 3.3Å; T347-G351 PolarHBondContact O-N 3.4Å; K349-G351 PolarHBondContact O-N 3.42Å; G351-A353 PolarHBondContact O-N 2.73Å; G351-T403 WeakPolarHBondContact O-CG2 3.46Å; G351-Y412 PolarHBondContact O-OH 3.45Å
352	Y	98.3	Very high	98.5	Very high	8 Å²	8	12.3 Å²	12.3	3%	0.031	7%	0.069	C	C	.	.			trans	62.9	11.1	178.2	-43.3	-57.2	0	0	0	115.5	W147 T347 K349 Y350 M407 Y412 A415 I419 V485	W147-Y352 HydrophobicContact CB-CD1 4.17Å; W147-Y352 HydrophobicContact CB-CG 4.4Å; W147-Y352 HydrophobicContact CD2-CD1 4.5Å; W147-Y352 HydrophobicContact CD2-CG 4.3Å; W147-Y352 AromaticContact CE3-CD1 3.69Å; W147-Y352 HydrophobicContact CE3-CD1 3.69Å; W147-Y352 AromaticContact CE3-CD2 3.7Å; W147-Y352 HydrophobicContact CE3-CD2 3.7Å; W147-Y352 AromaticContact CE3-CE1 3.91Å; W147-Y352 HydrophobicContact CE3-CE1 3.91Å; W147-Y352 AromaticContact CE3-CE2 3.93Å; W147-Y352 HydrophobicContact CE3-CE2 3.93Å; W147-Y352 AromaticContact CE3-CG 3.59Å; W147-Y352 HydrophobicContact CE3-CG 3.59Å; W147-Y352 AromaticContact CZ3-CD2 3.89Å; W147-Y352 HydrophobicContact CZ3-CD2 3.89Å; W147-Y352 HydrophobicContact CZ3-CE1 4.43Å; W147-Y352 AromaticContact CZ3-CE2 3.81Å; W147-Y352 HydrophobicContact CZ3-CE2 3.81Å; W147-Y352 HydrophobicContact CZ3-CG 4.26Å; T347-Y352 PolarHBondContact O-N 3Å; K349-Y352 PolarHBondContact O-N 3.15Å; Y350-Y352 HydrophobicContact CD1-CE1 4.18Å; Y350-Y352 WeakPolarHBondContact O-CD2 3.39Å; Y350-Y352 WeakPolarHBondContact O-CE2 3.3Å; Y352-M407 HydrophobicContact CD2-CE 3.75Å; Y352-M407 HydrophobicContact CD2-CG 4.29Å; Y352-M407 HydrophobicContact CD2-SD 4.16Å; Y352-M407 HydrophobicContact CE2-CE 3.85Å; Y352-Y412 AromaticContact CD2-CD1 3.98Å; Y352-Y412 HydrophobicContact CD2-CD1 3.98Å; Y352-Y412 AromaticContact CD2-CE1 3.54Å; Y352-Y412 HydrophobicContact CD2-CE1 3.54Å; Y352-Y412 AromaticContact CE2-CD1 3.63Å; Y352-Y412 HydrophobicContact CE2-CD1 3.63Å; Y352-Y412 AromaticContact CE2-CE1 3.68Å; Y352-Y412 HydrophobicContact CE2-CE1 3.68Å; Y352-A415 HydrophobicContact CE2-CB 4.01Å; Y352-A415 WeakPolarHBondContact OH-CB 3.46Å; Y352-I419 WeakPolarHBondContact OH-CD1 3.26Å; Y352-V485 HydrophobicContact CE1-CG2 4.06Å
353	A	97.7	Very high	98.5	Very high	8 Å²	8	13.8 Å²	13.8	7%	0.066	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-66.5	161.2	174.1	0	0	0	0	0	111	T347 H348 G351 C400	T347-A353 VanDerWaalsContact O-CB 3.31Å; T347-A353 WeakPolarHBondContact O-CB 3.32Å; T347-A353 PolarHBondContact O-N 3.46Å; H348-A353 WeakPolarHBondContact CA-O 3.41Å; G351-A353 PolarHBondContact O-N 2.73Å; A353-C400 HydrophobicContact CB-CB 3.85Å
354	P	97.4	Very high	98.5	Very high	29 Å²	29	16.3 Å²	16.3	19%	0.188	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-60.9	155.6	173.4	26	-34.3	0	0	0	111.8	H348 I396 A399	H348-P354 WeakPolarHBondContact CB-O 3.17Å; P354-I396 HydrophobicContact CB-CD1 4.19Å; P354-I396 HydrophobicContact CG-CD1 4.12Å; P354-I396 HydrophobicContact CG-CG2 4.41Å; P354-A399 HydrophobicContact CG-CB 3.62Å
355	K	97.8	Very high	98.5	Very high	112 Å²	112	22.4 Å²	22.4	49%	0.487	12%	0.119	S	C	.	.	S	Bend	trans	-54.6	140.9	173.5	-59.9	-56.4	-176.5	-174.4	0	110.2	A144 H348	A144-K355 VanDerWaalsContact O-CE 3.3Å; A144-K355 WeakPolarHBondContact O-CE 3.42Å; A144-K355 PolarHBondContact O-NZ 3.34Å; H348-K355 HydrophobicContact CB-CD 4.45Å; H348-K355 PolarHBondContact O-NZ 2.96Å
356	G	97.3	Very high	98.4	Very high	36 Å²	36	27.7 Å²	27.7	37%	0.371	14%	0.142	S	C	.	.	S	Bend	trans	103.2	16.8	-177.3	0	0	0	0	0	115.5	S204 I396	S204-G356 WeakPolarHBondContact CA-O 3.24Å; S204-G356 CarbonylContact O-C 3.57Å; S204-G356 WeakPolarHBondContact O-CA 3.08Å; G356-I396 WeakPolarHBondContact O-CG2 3.28Å
357	S	98.4	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.			trans	-138.4	133	179.7	-166.6	0	0	0	0	113.3	T203 S204 T347 H348 C400	T203-S357 CarbonylContact O-C 3.56Å; T203-S357 WeakPolarHBondContact O-CA 3.32Å; S204-S357 PolarHBondContact O-N 3.22Å; T347-S357 VanDerWaalsContact OG1-CB 3.29Å; T347-S357 WeakPolarHBondContact OG1-CB 3.25Å; T347-S357 PolarHBondContact OG1-O 3.2Å; T347-S357 PolarHBondContact OG1-OG 3.3Å; H348-S357 WeakPolarHBondContact CB-O 3.37Å; H348-S357 PolarHBondContact N-O 3.26Å; H348-S357 VanDerWaalsContact N-O 3.15Å; H348-S357 PolarHBondContact ND1-O 3.5Å; S357-C400 PolarHBondContact OG-SG 2.8Å
358	S	98.9	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	174.5	171.4	-177.7	0	0	0	0	109.7	V202 T203 G205 S209 A345 D346 T347	V202-S358 CarbonylContact C-O 3.47Å; V202-S358 WeakPolarHBondContact CA-O 3.47Å; V202-S358 WeakPolarHBondContact CG1-O 3.39Å; T203-S358 PolarHBondContact N-O 2.86Å; T203-S358 PolarHBondContact O-N 2.58Å; G205-S358 VanDerWaalsContact CA-CB 3.44Å; S209-S358 PolarHBondContact OG-OG 3.12Å; A345-S358 PolarHBondContact O-OG 3.06Å; A345-S358 VanDerWaalsContact O-OG 3.08Å; D346-S358 WeakPolarHBondContact OD1-CB 3.4Å; D346-S358 PolarHBondContact OD1-OG 2.86Å; T347-S358 PolarHBondContact OG1-N 3.45Å
359	V	98.9	Very high	98.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.4	173.7	-65.9	0	0	0	0	111.6	V184 V202 S209 S344 A345 T347 L361	V184-V359 HydrophobicContact CG1-CG1 3.93Å; V202-V359 HydrophobicContact CG2-CG1 4.26Å; S209-V359 PolarHBondContact OG-O 3.02Å; S344-V359 WeakPolarHBondContact CA-O 3.36Å; A345-V359 HydrophobicContact CB-CG2 4Å; A345-V359 PolarHBondContact N-O 3.02Å; A345-V359 VanDerWaalsContact O-CG2 3.29Å; A345-V359 WeakPolarHBondContact O-CG2 3.37Å; A345-V359 PolarHBondContact O-N 3.18Å; T347-V359 HydrophobicContact CG2-CG1 4.44Å; V359-L361 HydrophobicContact CB-CD2 4.06Å; V359-L361 HydrophobicContact CB-CG 4.49Å; V359-L361 HydrophobicContact CG2-CD1 4.47Å; V359-L361 HydrophobicContact CG2-CD2 4.16Å; V359-L361 HydrophobicContact CG2-CG 4.2Å
360	I	98.9	Very high	98.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.4	161.5	179.8	59.3	0	0	0	108.4	G200 T201 T203 M212 A213 Y362	G200-I360 CarbonylContact C-O 3.56Å; G200-I360 WeakPolarHBondContact CA-O 3.23Å; T201-I360 PolarHBondContact N-O 2.67Å; T201-I360 PolarHBondContact O-N 3.21Å; T201-I360 VanDerWaalsContact O-N 3.13Å; T201-I360 VanDerWaalsContact OG1-CG2 3.25Å; T201-I360 WeakPolarHBondContact OG1-CG2 3.42Å; T203-I360 HydrophobicContact CG2-CG2 3.82Å; M212-I360 HydrophobicContact CB-CG2 4.31Å; A213-I360 HydrophobicContact CB-CD1 3.88Å; I360-Y362 HydrophobicContact CG1-CD2 4.43Å; I360-Y362 HydrophobicContact CG1-CE2 3.6Å; I360-Y362 HydrophobicContact CG2-CE2 4.34Å
361	L	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.1	-177.4	-50.5	178.3	0	0	0	109.6	V185 F192 C199 F335 S342 I343 V359	V185-L361 HydrophobicContact CG1-CD2 4.21Å; F192-L361 HydrophobicContact CB-CD1 4.49Å; F192-L361 HydrophobicContact CD2-CD1 3.71Å; F192-L361 HydrophobicContact CE2-CD1 4.38Å; F192-L361 HydrophobicContact CG-CD1 4.4Å; C199-L361 CarbonylContact O-C 3.57Å; C199-L361 WeakPolarHBondContact O-CA 3.06Å; F335-L361 HydrophobicContact CE2-CB 3.92Å; F335-L361 HydrophobicContact CE2-CD1 4.37Å; F335-L361 HydrophobicContact CZ-CB 3.82Å; S342-L361 CarbonylContact C-O 3.53Å; S342-L361 WeakPolarHBondContact CA-O 3.46Å; S342-L361 WeakPolarHBondContact CB-O 3.37Å; I343-L361 PolarHBondContact N-O 3.15Å; I343-L361 WeakPolarHBondContact O-CB 3.05Å; I343-L361 PolarHBondContact O-N 3.28Å; V359-L361 HydrophobicContact CB-CD2 4.06Å; V359-L361 HydrophobicContact CB-CG 4.49Å; V359-L361 HydrophobicContact CG2-CD1 4.47Å; V359-L361 HydrophobicContact CG2-CD2 4.16Å; V359-L361 HydrophobicContact CG2-CG 4.2Å
362	Y	98.9	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.1	175.2	-60.7	-90.8	0	0	0	109.6	S198 C199 M212 A216 T341 I360 D364 Y367 R368 Q371	S198-Y362 CarbonylContact C-O 3.02Å; S198-Y362 WeakPolarHBondContact CA-O 3.37Å; S198-Y362 WeakPolarHBondContact CB-O 3.35Å; C199-Y362 PolarHBondContact N-O 3.39Å; C199-Y362 PolarHBondContact O-N 3.37Å; M212-Y362 PolarHBondContact O-OH 2.96Å; A216-Y362 HydrophobicContact CB-CE1 4.29Å; T341-Y362 WeakPolarHBondContact O-CA 3.5Å; I360-Y362 HydrophobicContact CG1-CD2 4.43Å; I360-Y362 HydrophobicContact CG1-CE2 3.6Å; I360-Y362 HydrophobicContact CG2-CE2 4.34Å; Y362-D364 PolarHBondContact O-N 2.83Å; Y362-Y367 VanDerWaalsContact CD1-CB 3.5Å; Y362-R368 HydrophobicContact CD2-CB 3.66Å; Y362-R368 HydrophobicContact CD2-CG 3.9Å; Y362-R368 HydrophobicContact CE2-CB 4.08Å; Y362-R368 HydrophobicContact CE2-CG 4.03Å; Y362-R368 HydrophobicContact CG-CB 4.09Å; Y362-Q371 PolarHBondContact OH-OE1 3.04Å
363	S	98.8	Very high	98.5	Very high	32 Å²	32	45.9 Å²	45.9	22%	0.224	22%	0.218	C	C	.	.	S	Bend	trans	-62.1	-27	174	55	0	0	0	0	113.1	N197 S198 T341 Y367	N197-S363 CarbonylContact C-O 3.52Å; S198-S363 PolarHBondContact N-O 2.64Å; T341-S363 WeakPolarHBondContact CA-OG 3.36Å; T341-S363 PolarHBondContact O-N 3.35Å; T341-S363 PolarHBondContact O-OG 3.08Å; T341-S363 VanDerWaalsContact O-OG 3.12Å; S363-Y367 WeakPolarHBondContact OG-CE2 3.34Å
364	D	98.7	Very high	98.5	Very high	53 Å²	53	49.5 Å²	49.5	28%	0.283	24%	0.239	S	C	.	.	S	Bend	trans	-150.5	151.5	-176	-166.2	-77.7	0	0	0	111.8	Y362 K366 Y367	Y362-D364 PolarHBondContact O-N 2.83Å; D364-K366 VanDerWaalsContact C-N 3.25Å; D364-K366 HydrophobicContact CB-CG 4.15Å; D364-K366 PolarHBondContact O-N 2.82Å; D364-K366 WeakPolarHBondContact OD1-CB 3.48Å; D364-K366 WeakPolarHBondContact OD1-CG 3.46Å; D364-K366 PolarHBondContact OD1-N 2.79Å; D364-Y367 HydrophobicContact CB-CD2 4.04Å; D364-Y367 HydrophobicContact CB-CE2 4.21Å; D364-Y367 PolarHBondContact O-N 3.43Å
365	K	98.6	Very high	98.5	Very high	128 Å²	128	49.2 Å²	49.2	56%	0.557	24%	0.239	S	C	*	.	H	α-helix	trans	-61.2	-30.9	178.2	-67.8	179.1	-175.1	173.5	0	112.9	C199 Y367 R368 Q369	C199-K365 HydrophobicContact CB-CG 4.29Å; K365-Y367 PolarHBondContact O-N 2.97Å; K365-R368 PolarHBondContact O-N 2.84Å; K365-R368 VanDerWaalsContact O-N 3.12Å; K365-Q369 WeakPolarHBondContact O-CG 3.21Å; K365-Q369 PolarHBondContact O-N 2.91Å
366	K	98.1	Very high	98.5	Very high	111 Å²	111	47.4 Å²	47.4	48%	0.483	24%	0.239	S	C	.	.	H	α-helix	trans	-57.1	-36.8	179.1	75.2	-174.7	-177	170.4	0	112.1	D364 Y370	D364-K366 VanDerWaalsContact C-N 3.25Å; D364-K366 HydrophobicContact CB-CG 4.15Å; D364-K366 PolarHBondContact O-N 2.82Å; D364-K366 WeakPolarHBondContact OD1-CB 3.48Å; D364-K366 WeakPolarHBondContact OD1-CG 3.46Å; D364-K366 PolarHBondContact OD1-N 2.79Å; K366-Y370 WeakPolarHBondContact O-CD2 3.4Å; K366-Y370 WeakPolarHBondContact O-CE2 3.38Å
367	Y	98.8	Very high	98.6	Very high	29 Å²	29	53 Å²	53	11%	0.114	26%	0.26	C	S	.	.	H	α-helix	trans	-73.7	-42.8	176.8	-60.3	-61.7	0	0	0	111.6	Y217 M220 T341 Y362 S363 D364 K365 Q369 Y370	Y217-Y367 AromaticContact CE1-CD1 3.88Å; Y217-Y367 HydrophobicContact CE1-CD1 3.88Å; Y217-Y367 HydrophobicContact CE1-CG 4.27Å; M220-Y367 HydrophobicContact SD-CD1 3.82Å; M220-Y367 HydrophobicContact SD-CE1 3.82Å; T341-Y367 HydrophobicContact CG2-CE1 4.31Å; T341-Y367 HydrophobicContact CG2-CE2 3.73Å; T341-Y367 WeakPolarHBondContact CG2-OH 3.34Å; Y362-Y367 VanDerWaalsContact CD1-CB 3.5Å; S363-Y367 WeakPolarHBondContact OG-CE2 3.34Å; D364-Y367 HydrophobicContact CB-CD2 4.04Å; D364-Y367 HydrophobicContact CB-CE2 4.21Å; D364-Y367 PolarHBondContact O-N 3.43Å; K365-Y367 PolarHBondContact O-N 2.97Å; Y367-Q369 VanDerWaalsContact C-N 3.29Å; Y367-Q369 PolarHBondContact O-N 3.39Å; Y367-Y370 PolarHBondContact O-N 3.27Å
368	R	98.7	Very high	98.6	Very high	47 Å²	47	60.1 Å²	60.1	18%	0.177	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-32.8	-178.7	-171.7	176.7	60.7	166.5	2.2	112.3	C199 G200 Y362 K365 Y370 Q371 Y372	C199-R368 VanDerWaalsContact CB-CZ 3.49Å; C199-R368 PolarHBondContact SG-NE 2.94Å; G200-R368 PolarHBondContact O-NH1 3.34Å; Y362-R368 HydrophobicContact CD2-CB 3.66Å; Y362-R368 HydrophobicContact CD2-CG 3.9Å; Y362-R368 HydrophobicContact CE2-CB 4.08Å; Y362-R368 HydrophobicContact CE2-CG 4.03Å; Y362-R368 HydrophobicContact CG-CB 4.09Å; K365-R368 PolarHBondContact O-N 2.84Å; K365-R368 VanDerWaalsContact O-N 3.12Å; R368-Y370 VanDerWaalsContact C-N 3.27Å; R368-Y370 PolarHBondContact O-N 2.88Å; R368-Q371 HydrophobicContact CG-CG 4.37Å; R368-Q371 WeakPolarHBondContact O-CB 3.32Å; R368-Q371 VanDerWaalsContact O-CG 3.25Å; R368-Q371 WeakPolarHBondContact O-CG 3.49Å; R368-Q371 PolarHBondContact O-N 3.02Å; R368-Y372 HydrophobicContact CG-CE1 3.85Å; R368-Y372 VanDerWaalsContact CZ-OH 3.26Å; R368-Y372 PolarHBondContact NE-OH 3.4Å
369	Q	98.4	Very high	98.5	Very high	130 Å²	130	69.9 Å²	69.9	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-58	-37.3	178.9	-78.9	175.8	-29.3	0	0	112.9	K365 Y367 Q371 Y372	K365-Q369 WeakPolarHBondContact O-CG 3.21Å; K365-Q369 PolarHBondContact O-N 2.91Å; Y367-Q369 VanDerWaalsContact C-N 3.29Å; Y367-Q369 PolarHBondContact O-N 3.39Å; Q369-Q371 PolarHBondContact O-N 3.4Å; Q369-Y372 PolarHBondContact O-N 2.87Å
370	Y	98.7	Very high	98.4	Very high	61 Å²	61	72.6 Å²	72.6	24%	0.239	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.7	175.7	-67.5	-82.8	0	0	0	113.8	K215 A216 D219 M220 E223 K366 Y367 R368	K215-Y370 WeakPolarHBondContact CD-O 3.08Å; K215-Y370 PolarHBondContact NZ-O 3.28Å; A216-Y370 WeakPolarHBondContact O-CB 3.32Å; D219-Y370 HydrophobicContact CB-CD1 3.94Å; D219-Y370 HydrophobicContact CB-CG 4.5Å; M220-Y370 HydrophobicContact CB-CD1 4.26Å; M220-Y370 HydrophobicContact CB-CD2 4.09Å; M220-Y370 HydrophobicContact CB-CE1 4.28Å; M220-Y370 HydrophobicContact CB-CE2 4.13Å; M220-Y370 HydrophobicContact CB-CG 4.17Å; M220-Y370 HydrophobicContact CG-CD2 4.22Å; M220-Y370 HydrophobicContact CG-CE1 4.49Å; M220-Y370 HydrophobicContact CG-CE2 3.83Å; E223-Y370 HydrophobicContact CB-CE1 4.49Å; E223-Y370 PolarHBondContact OE2-OH 2.91Å; K366-Y370 WeakPolarHBondContact O-CD2 3.4Å; K366-Y370 WeakPolarHBondContact O-CE2 3.38Å; Y367-Y370 PolarHBondContact O-N 3.27Å; R368-Y370 VanDerWaalsContact C-N 3.27Å; R368-Y370 PolarHBondContact O-N 2.88Å
371	Q	98.4	Very high	98.3	Very high	3 Å²	3	74.3 Å²	74.3	1%	0.014	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-32.6	177.8	102.1	175	-3.5	0	0	111.5	T201 M212 K215 A216 Y362 R368 Q369 P386	T201-Q371 PolarHBondContact OG1-NE2 3.17Å; M212-Q371 HydrophobicContact CE-CB 3.68Å; M212-Q371 HydrophobicContact CE-CG 3.59Å; M212-Q371 WeakPolarHBondContact CE-O 3.34Å; K215-Q371 PolarHBondContact NZ-O 3.46Å; A216-Q371 HydrophobicContact CB-CB 3.93Å; Y362-Q371 PolarHBondContact OH-OE1 3.04Å; R368-Q371 HydrophobicContact CG-CG 4.37Å; R368-Q371 WeakPolarHBondContact O-CB 3.32Å; R368-Q371 VanDerWaalsContact O-CG 3.25Å; R368-Q371 WeakPolarHBondContact O-CG 3.49Å; R368-Q371 PolarHBondContact O-N 3.02Å; Q369-Q371 PolarHBondContact O-N 3.4Å; Q371-P386 WeakPolarHBondContact CG-O 3.29Å; Q371-P386 PolarHBondContact NE2-O 3.05Å
372	Y	98.7	Very high	98.3	Very high	74 Å²	74	81 Å²	81	29%	0.29	41%	0.413	S	S	.	.			trans	-62.2	155.7	-173.3	-59.1	-25.1	0	0	0	112.3	T201 K215 R368 Q369 P386	T201-Y372 HydrophobicContact CG2-CE1 4.33Å; K215-Y372 PolarHBondContact NZ-O 3.25Å; R368-Y372 HydrophobicContact CG-CE1 3.85Å; R368-Y372 VanDerWaalsContact CZ-OH 3.26Å; R368-Y372 PolarHBondContact NE-OH 3.4Å; Q369-Y372 PolarHBondContact O-N 2.87Å; Y372-P386 HydrophobicContact CD1-CB 4.3Å; Y372-P386 HydrophobicContact CE1-CB 4.11Å
373	F	98.5	Very high	98.3	Very high	110 Å²	110	84 Å²	84	48%	0.482	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.9	165.5	173.7	-99.2	0	0	0	108.9	A375 Y383 A384 S385	F373-A375 HydrophobicContact CE1-CB 3.89Å; F373-A375 HydrophobicContact CZ-CB 3.89Å; F373-Y383 HydrophobicContact CD1-CD1 4.03Å; F373-Y383 HydrophobicContact CD1-CE1 4.24Å; F373-Y383 AromaticContact CE1-CD1 3.96Å; F373-Y383 HydrophobicContact CE1-CD1 3.96Å; F373-Y383 HydrophobicContact CE1-CE1 4.4Å; F373-A384 VanDerWaalsContact O-CA 3.31Å; F373-A384 WeakPolarHBondContact O-CA 3.29Å; F373-S385 PolarHBondContact N-O 3.43Å; F373-S385 VanDerWaalsContact N-O 3.11Å; F373-S385 PolarHBondContact O-N 3.44Å
374	V	98.3	Very high	98.3	Very high	84 Å²	84	85.4 Å²	85.4	51%	0.509	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.3	177.8	-174.9	0	0	0	0	108.6	Y383 A384	V374-Y383 CarbonylContact C-O 3.56Å; V374-Y383 WeakPolarHBondContact CA-O 3.1Å; V374-A384 HydrophobicContact CG2-CB 4.26Å
375	A	98.4	Very high	98.2	Very high	23 Å²	23	83.3 Å²	83.3	19%	0.19	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	93.2	171.7	0	0	0	0	0	108.5	F373 W378 Y383	F373-A375 HydrophobicContact CE1-CB 3.89Å; F373-A375 HydrophobicContact CZ-CB 3.89Å; A375-W378 HydrophobicContact CB-CB 4.28Å; A375-Y383 PolarHBondContact N-O 2.96Å; A375-Y383 PolarHBondContact O-N 3.22Å; A375-Y383 VanDerWaalsContact O-N 3.1Å
376	P	98.1	Very high	98.2	Very high	74 Å²	74	79.4 Å²	79.4	48%	0.481	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-28.7	-175.9	28.7	-33.4	0	0	0	113.1
377	D	98.2	Very high	98.2	Very high	153 Å²	153	74.3 Å²	74.3	82%	0.818	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	11.9	-171.4	-50.5	-48.6	0	0	0	113.6
378	W	98.4	Very high	98.2	Very high	151 Å²	151	77.6 Å²	77.6	57%	0.572	42%	0.417	S	S	*	.			trans	-72.4	133.3	-179.8	-177.3	53.7	0	0	0	111.2	A375 G380 G381 Y383	A375-W378 HydrophobicContact CB-CB 4.28Å; W378-G380 PolarHBondContact O-N 3.11Å; W378-G380 VanDerWaalsContact O-N 3.09Å; W378-G381 CarbonylContact O-C 3.58Å; W378-G381 PolarHBondContact O-N 2.9Å; W378-Y383 HydrophobicContact CE3-CD2 4.34Å; W378-Y383 HydrophobicContact CZ3-CD2 4.02Å
379	Q	97.8	Very high	98.1	Very high	205 Å²	205	77 Å²	77	96%	0.958	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.8	-175.8	-69.1	-177.8	-37.3	0	0	114.3	G381	Q379-G381 PolarHBondContact O-N 3.38Å
380	G	97	Very high	98.1	Very high	56 Å²	56	71.8 Å²	71.8	58%	0.577	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	2.1	173.2	0	0	0	0	0	114.5	W378	W378-G380 PolarHBondContact O-N 3.11Å; W378-G380 VanDerWaalsContact O-N 3.09Å
381	G	96.9	Very high	98.1	Very high	37 Å²	37	72.9 Å²	72.9	38%	0.381	42%	0.419	S	S	.	.			trans	104.2	171.3	-173.4	0	0	0	0	0	112.4	W378 Q379 Y383	W378-G381 CarbonylContact O-C 3.58Å; W378-G381 PolarHBondContact O-N 2.9Å; Q379-G381 PolarHBondContact O-N 3.38Å; G381-Y383 PolarHBondContact O-N 3.44Å; G381-Y383 VanDerWaalsContact O-N 3.12Å
382	I	98.1	Very high	98.1	Very high	140 Å²	140	74.4 Å²	74.4	72%	0.718	43%	0.425	S	S	*	.			trans	-59.1	119.5	178.1	-62.2	167.6	0	0	0	109.1
383	Y	98.4	Very high	98.1	Very high	63 Å²	63	74.4 Å²	74.4	25%	0.247	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.7	178	-171.2	-87.2	0	0	0	110.8	L169 F373 V374 A375 W378 G381 G390	L169-Y383 HydrophobicContact CD1-CE2 4.31Å; F373-Y383 HydrophobicContact CD1-CD1 4.03Å; F373-Y383 HydrophobicContact CD1-CE1 4.24Å; F373-Y383 AromaticContact CE1-CD1 3.96Å; F373-Y383 HydrophobicContact CE1-CD1 3.96Å; F373-Y383 HydrophobicContact CE1-CE1 4.4Å; V374-Y383 CarbonylContact C-O 3.56Å; V374-Y383 WeakPolarHBondContact CA-O 3.1Å; A375-Y383 PolarHBondContact N-O 2.96Å; A375-Y383 PolarHBondContact O-N 3.22Å; A375-Y383 VanDerWaalsContact O-N 3.1Å; W378-Y383 HydrophobicContact CE3-CD2 4.34Å; W378-Y383 HydrophobicContact CZ3-CD2 4.02Å; G381-Y383 PolarHBondContact O-N 3.44Å; G381-Y383 VanDerWaalsContact O-N 3.12Å; Y383-G390 WeakPolarHBondContact OH-CA 3.43Å
384	A	98.4	Very high	98	Very high	61 Å²	61	69.1 Å²	69.1	50%	0.504	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.5	174	0	0	0	0	0	111	F373 V374	F373-A384 VanDerWaalsContact O-CA 3.31Å; F373-A384 WeakPolarHBondContact O-CA 3.29Å; V374-A384 HydrophobicContact CG2-CB 4.26Å
385	S	98.3	Very high	98.1	Very high	10 Å²	10	65.2 Å²	65.2	7%	0.07	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.5	174.8	72.7	0	0	0	0	111.8	F373 S387	F373-S385 PolarHBondContact N-O 3.43Å; F373-S385 VanDerWaalsContact N-O 3.11Å; F373-S385 PolarHBondContact O-N 3.44Å; S385-S387 PolarHBondContact OG-O 3.04Å
386	P	98.3	Very high	98.1	Very high	45 Å²	45	65.2 Å²	65.2	29%	0.292	38%	0.384	S	S	.	.	S	Bend	trans	-81.5	-19.4	-179.6	32.5	-35.4	0	0	0	113.3	T201 Q371 Y372	T201-P386 HydrophobicContact CG2-CB 3.89Å; Q371-P386 WeakPolarHBondContact CG-O 3.29Å; Q371-P386 PolarHBondContact NE2-O 3.05Å; Y372-P386 HydrophobicContact CD1-CB 4.3Å; Y372-P386 HydrophobicContact CE1-CB 4.11Å
387	S	97.7	Very high	98.1	Very high	5 Å²	5	62.1 Å²	62.1	4%	0.035	36%	0.363	C	S	.	.	S	Bend	trans	-141.1	-167.2	179.9	87.1	0	0	0	0	110.9	E208 S385 A389	E208-S387 WeakPolarHBondContact OE1-CB 3.41Å; E208-S387 PolarHBondContact OE1-OG 2.81Å; S385-S387 PolarHBondContact OG-O 3.04Å; S387-A389 VanDerWaalsContact C-N 3.33Å; S387-A389 PolarHBondContact O-N 2.82Å
388	V	97.9	Very high	98.1	Very high	98 Å²	98	54.8 Å²	54.8	59%	0.594	32%	0.324	S	S	*	.	S	Bend	trans	-62.4	-39.4	-175.4	177.6	0	0	0	0	112.1	E208 M212	E208-V388 HydrophobicContact CG-CB 4.3Å; E208-V388 HydrophobicContact CG-CG2 3.78Å; E208-V388 WeakPolarHBondContact OE1-CB 3.3Å; E208-V388 PolarHBondContact OE1-N 3.5Å; M212-V388 HydrophobicContact SD-CG2 3.69Å
389	A	98.2	Very high	98.2	Very high	35 Å²	35	47.7 Å²	47.7	29%	0.289	30%	0.298	S	S	.	.			trans	-87.9	148.1	-172.9	0	0	0	0	0	113.1	S387 R392	S387-A389 VanDerWaalsContact C-N 3.33Å; S387-A389 PolarHBondContact O-N 2.82Å; A389-R392 HydrophobicContact CB-CG 3.71Å
390	G	97.8	Very high	98.2	Very high	19 Å²	19	38 Å²	38	20%	0.196	25%	0.252	C	S	.	.	S	Bend	trans	-80.7	-90.6	162.7	0	0	0	0	0	111	Y383	Y383-G390 WeakPolarHBondContact OH-CA 3.43Å
391	S	98.1	Very high	98.3	Very high	84 Å²	84	38.5 Å²	38.5	59%	0.587	24%	0.237	S	C	*	.	S	Bend	trans	-64.5	135.4	172.8	-64.4	0	0	0	0	111.5	N167	N167-S391 WeakPolarHBondContact ND2-CB 3.44Å; N167-S391 PolarHBondContact ND2-OG 2.87Å; N167-S391 WeakPolarHBondContact OD1-CA 3.43Å
392	R	98.3	Very high	98.4	Very high	35 Å²	35	37.2 Å²	37.2	13%	0.132	22%	0.222	C	C	.	.			trans	-138.1	153.1	-177.4	-64.3	-178.8	-63.6	132.5	-1.5	111.5	N167 P168 E181 A389 G394	N167-R392 PolarHBondContact OD1-N 3.19Å; N167-R392 PolarHBondContact OD1-O 3.23Å; P168-R392 VanDerWaalsContact CB-NH2 3.33Å; P168-R392 VanDerWaalsContact CD-O 3.22Å; P168-R392 WeakPolarHBondContact CD-O 3.39Å; P168-R392 HydrophobicContact CG-CB 3.76Å; E181-R392 IonicContact OE1-CZ 3.38Å; E181-R392 IonicContact OE1-NH1 2.72Å; E181-R392 PolarHBondContact OE1-NH1 2.76Å; E181-R392 IonicContact OE1-NH2 3.16Å; E181-R392 PolarHBondContact OE1-NH2 3.04Å; E181-R392 VanDerWaalsContact OE1-NH2 3.16Å; E181-R392 IonicContact OE2-CZ 3.7Å; E181-R392 IonicContact OE2-NH1 3.57Å; E181-R392 IonicContact OE2-NH2 2.88Å; E181-R392 PolarHBondContact OE2-NH2 2.67Å; A389-R392 HydrophobicContact CB-CG 3.71Å; R392-G394 PolarHBondContact O-N 3.29Å; R392-G394 VanDerWaalsContact O-N 3.14Å
393	P	98.1	Very high	98.4	Very high	74 Å²	74	30.5 Å²	30.5	48%	0.481	19%	0.188	S	C	.	.			trans	-77.9	97.2	179.4	31.2	-34.6	0	0	0	111.3	G395 I396	P393-G395 PolarHBondContact O-N 3.23Å; P393-I396 HydrophobicContact CB-CG1 4.04Å; P393-I396 HydrophobicContact CG-CB 4.32Å; P393-I396 HydrophobicContact CG-CG1 3.93Å; P393-I396 PolarHBondContact O-N 3.16Å; P393-I396 VanDerWaalsContact O-N 3.09Å
394	G	98.3	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-24.7	-179.6	0	0	0	0	0	113.9	S166 R392 I396 I397 A398	S166-G394 VanDerWaalsContact O-CA 3.31Å; S166-G394 WeakPolarHBondContact O-CA 3.4Å; S166-G394 PolarHBondContact O-N 2.94Å; S166-G394 VanDerWaalsContact OG-C 3.22Å; S166-G394 WeakPolarHBondContact OG-CA 3.45Å; R392-G394 PolarHBondContact O-N 3.29Å; R392-G394 VanDerWaalsContact O-N 3.14Å; G394-I396 VanDerWaalsContact C-N 3.25Å; G394-I396 PolarHBondContact O-N 3.1Å; G394-I397 WeakPolarHBondContact O-CB 3.41Å; G394-I397 PolarHBondContact O-N 2.96Å; G394-I397 VanDerWaalsContact O-N 3.13Å; G394-A398 PolarHBondContact O-N 3.31Å
395	G	98.7	Very high	98.4	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-34	170.9	0	0	0	0	0	114	F163 S166 P393 A399	F163-G395 PolarHBondContact O-N 3.19Å; S166-G395 PolarHBondContact OG-N 3.34Å; P393-G395 PolarHBondContact O-N 3.23Å; G395-A399 VanDerWaalsContact O-CB 3.32Å; G395-A399 WeakPolarHBondContact O-CB 3.22Å; G395-A399 PolarHBondContact O-N 2.92Å
396	I	98.7	Very high	98.4	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-71.8	-37.8	176.5	-62.6	-62.4	0	0	0	111.3	Y160 P354 G356 P393 G394 C400	Y160-I396 HydrophobicContact CD2-CD1 3.91Å; Y160-I396 HydrophobicContact CD2-CG1 4.42Å; Y160-I396 HydrophobicContact CE2-CD1 3.81Å; Y160-I396 HydrophobicContact CE2-CG1 4.1Å; P354-I396 HydrophobicContact CB-CD1 4.19Å; P354-I396 HydrophobicContact CG-CD1 4.12Å; P354-I396 HydrophobicContact CG-CG2 4.41Å; G356-I396 WeakPolarHBondContact O-CG2 3.28Å; P393-I396 HydrophobicContact CB-CG1 4.04Å; P393-I396 HydrophobicContact CG-CB 4.32Å; P393-I396 HydrophobicContact CG-CG1 3.93Å; P393-I396 PolarHBondContact O-N 3.16Å; P393-I396 VanDerWaalsContact O-N 3.09Å; G394-I396 VanDerWaalsContact C-N 3.25Å; G394-I396 PolarHBondContact O-N 3.1Å; I396-C400 VanDerWaalsContact O-CB 3.24Å; I396-C400 WeakPolarHBondContact O-CB 3.4Å; I396-C400 PolarHBondContact O-N 3.23Å
397	I	98.8	Very high	98.4	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-46.4	175.1	-63.6	172.1	0	0	0	110	P168 V177 M180 E181 V202 G394 C400 W401	P168-I397 HydrophobicContact CB-CD1 4.29Å; P168-I397 HydrophobicContact CG-CD1 3.86Å; V177-I397 HydrophobicContact CG1-CB 4.05Å; V177-I397 HydrophobicContact CG1-CD1 4Å; V177-I397 HydrophobicContact CG1-CG2 4.01Å; M180-I397 HydrophobicContact CB-CG2 4.39Å; E181-I397 HydrophobicContact CB-CD1 4.46Å; E181-I397 HydrophobicContact CB-CG2 3.76Å; E181-I397 HydrophobicContact CG-CD1 4.18Å; E181-I397 HydrophobicContact CG-CG2 4.21Å; V202-I397 HydrophobicContact CG1-CG1 4.36Å; G394-I397 WeakPolarHBondContact O-CB 3.41Å; G394-I397 PolarHBondContact O-N 2.96Å; G394-I397 VanDerWaalsContact O-N 3.13Å; I397-C400 WeakPolarHBondContact O-CB 3.19Å; I397-C400 PolarHBondContact O-N 3.43Å; I397-W401 PolarHBondContact O-N 2.92Å
398	A	98.9	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-47.4	178.5	0	0	0	0	0	111.6	V159 F163 M180 G394 C400 W401 A402	V159-A398 HydrophobicContact CG1-CB 3.77Å; F163-A398 HydrophobicContact CB-CB 3.85Å; F163-A398 HydrophobicContact CD1-CB 4.24Å; F163-A398 HydrophobicContact CD2-CB 3.51Å; F163-A398 HydrophobicContact CE2-CB 4.09Å; F163-A398 HydrophobicContact CG-CB 3.6Å; M180-A398 HydrophobicContact CE-CB 3.45Å; M180-A398 VanDerWaalsContact CE-CB 3.45Å; M180-A398 HydrophobicContact SD-CB 3.98Å; G394-A398 PolarHBondContact O-N 3.31Å; A398-C400 PolarHBondContact O-N 3.43Å; A398-W401 PolarHBondContact O-N 3.21Å; A398-A402 WeakPolarHBondContact O-CB 2.93Å; A398-A402 PolarHBondContact O-N 2.78Å
399	A	98.8	Very high	98.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-38.1	177.8	0	0	0	0	0	112.3	L156 V159 P354 G395 A402 T403	L156-A399 HydrophobicContact CD2-CB 4.16Å; L156-A399 WeakPolarHBondContact CD2-O 3.18Å; V159-A399 HydrophobicContact CG1-CB 4.42Å; P354-A399 HydrophobicContact CG-CB 3.62Å; G395-A399 VanDerWaalsContact O-CB 3.32Å; G395-A399 WeakPolarHBondContact O-CB 3.22Å; G395-A399 PolarHBondContact O-N 2.92Å; A399-A402 PolarHBondContact O-N 2.74Å; A399-T403 PolarHBondContact O-N 3.15Å; A399-T403 PolarHBondContact O-OG1 2.9Å
400	C	98.8	Very high	98.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-47.9	173.3	177.5	0	0	0	0	112.1	T347 A353 S357 I396 I397 A398 A402 T403 M404	T347-C400 VanDerWaalsContact CB-SG 3.51Å; A353-C400 HydrophobicContact CB-CB 3.85Å; S357-C400 PolarHBondContact OG-SG 2.8Å; I396-C400 VanDerWaalsContact O-CB 3.24Å; I396-C400 WeakPolarHBondContact O-CB 3.4Å; I396-C400 PolarHBondContact O-N 3.23Å; I397-C400 WeakPolarHBondContact O-CB 3.19Å; I397-C400 PolarHBondContact O-N 3.43Å; A398-C400 PolarHBondContact O-N 3.43Å; C400-A402 VanDerWaalsContact C-N 3.33Å; C400-A402 PolarHBondContact O-N 3.07Å; C400-T403 WeakPolarHBondContact O-CB 3.36Å; C400-T403 PolarHBondContact O-N 2.9Å; C400-M404 WeakPolarHBondContact O-CG 3.49Å; C400-M404 PolarHBondContact O-N 3.31Å; C400-M404 VanDerWaalsContact O-N 3.1Å
401	W	98.9	Very high	98.5	Very high	68 Å²	68	37.2 Å²	37.2	26%	0.258	21%	0.208	S	C	.	.	H	α-helix	trans	-59	-45.7	174.7	180	96.9	0	0	0	111.4	M180 E183 V184 I397 A398 T403 M404 M405	M180-W401 HydrophobicContact CB-CB 3.84Å; M180-W401 HydrophobicContact CB-CD2 4.46Å; M180-W401 HydrophobicContact CB-CG 3.78Å; M180-W401 HydrophobicContact CG-CB 4.09Å; M180-W401 HydrophobicContact CG-CD2 3.84Å; M180-W401 HydrophobicContact CG-CE3 4.35Å; M180-W401 HydrophobicContact CG-CG 3.69Å; M180-W401 HydrophobicContact SD-CB 4.18Å; M180-W401 HydrophobicContact SD-CD2 4.02Å; M180-W401 HydrophobicContact SD-CE3 3.95Å; M180-W401 HydrophobicContact SD-CG 4.13Å; E183-W401 PolarHBondContact OE2-NE1 3.4Å; V184-W401 HydrophobicContact CG2-CB 3.81Å; V184-W401 HydrophobicContact CG2-CG 4.45Å; I397-W401 PolarHBondContact O-N 2.92Å; A398-W401 PolarHBondContact O-N 3.21Å; W401-T403 VanDerWaalsContact C-N 3.33Å; W401-T403 PolarHBondContact O-N 3.44Å; W401-M404 PolarHBondContact O-N 3.32Å; W401-M404 VanDerWaalsContact O-N 3.16Å; W401-M405 HydrophobicContact CD2-CG 3.8Å; W401-M405 HydrophobicContact CE3-CG 3.87Å; W401-M405 HydrophobicContact CH2-CG 3.63Å; W401-M405 HydrophobicContact CH2-SD 4.37Å; W401-M405 HydrophobicContact CZ2-CG 3.57Å; W401-M405 HydrophobicContact CZ2-SD 3.92Å; W401-M405 HydrophobicContact CZ3-CB 4.47Å; W401-M405 HydrophobicContact CZ3-CG 3.79Å; W401-M405 WeakPolarHBondContact O-CG 3.23Å; W401-M405 PolarHBondContact O-N 2.96Å
402	A	98.8	Very high	98.6	Very high	9 Å²	9	33.5 Å²	33.5	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-39.7	178.1	0	0	0	0	0	112	V159 A398 A399 C400 M405 Y406	V159-A402 HydrophobicContact CB-CB 4.43Å; V159-A402 HydrophobicContact CG1-CB 4.1Å; V159-A402 HydrophobicContact CG2-CB 3.95Å; A398-A402 WeakPolarHBondContact O-CB 2.93Å; A398-A402 PolarHBondContact O-N 2.78Å; A399-A402 PolarHBondContact O-N 2.74Å; C400-A402 VanDerWaalsContact C-N 3.33Å; C400-A402 PolarHBondContact O-N 3.07Å; A402-M405 PolarHBondContact O-N 3.47Å; A402-Y406 WeakPolarHBondContact O-CB 3.38Å; A402-Y406 PolarHBondContact O-N 3.49Å
403	T	98.6	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-50.2	172.9	-52.4	0	0	0	0	111.2	L152 L156 G351 A399 C400 W401 M405 Y406 M407	L152-T403 HydrophobicContact CD1-CG2 4.43Å; L152-T403 HydrophobicContact CD2-CG2 4.31Å; L156-T403 WeakPolarHBondContact CD2-OG1 3.47Å; G351-T403 WeakPolarHBondContact O-CG2 3.46Å; A399-T403 PolarHBondContact O-N 3.15Å; A399-T403 PolarHBondContact O-OG1 2.9Å; C400-T403 WeakPolarHBondContact O-CB 3.36Å; C400-T403 PolarHBondContact O-N 2.9Å; W401-T403 VanDerWaalsContact C-N 3.33Å; W401-T403 PolarHBondContact O-N 3.44Å; T403-M405 VanDerWaalsContact C-N 3.28Å; T403-M405 PolarHBondContact O-N 2.75Å; T403-Y406 PolarHBondContact O-N 3.01Å; T403-M407 HydrophobicContact CG2-CG 3.9Å; T403-M407 VanDerWaalsContact O-CB 3.31Å; T403-M407 WeakPolarHBondContact O-CB 3.29Å; T403-M407 WeakPolarHBondContact O-CG 3.35Å; T403-M407 PolarHBondContact O-N 3.13Å
404	M	98.8	Very high	98.6	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-39.3	-177.6	-66.6	-178.9	71.2	0	0	111.7	V184 M187 F318 C400 W401 G408	V184-M404 HydrophobicContact CB-SD 4.35Å; V184-M404 HydrophobicContact CG1-SD 4.04Å; V184-M404 HydrophobicContact CG2-SD 4.09Å; M187-M404 HydrophobicContact CB-CE 3.48Å; M187-M404 VanDerWaalsContact CB-CE 3.48Å; M187-M404 HydrophobicContact CE-CB 3.94Å; M187-M404 HydrophobicContact CE-CE 3.74Å; M187-M404 HydrophobicContact CE-CG 4.49Å; M187-M404 HydrophobicContact CE-SD 3.77Å; M187-M404 HydrophobicContact CG-CE 4.34Å; M187-M404 HydrophobicContact SD-CB 4.3Å; M187-M404 HydrophobicContact SD-CE 3.9Å; F318-M404 HydrophobicContact CE1-CE 4.09Å; F318-M404 HydrophobicContact CZ-CE 4.41Å; C400-M404 WeakPolarHBondContact O-CG 3.49Å; C400-M404 PolarHBondContact O-N 3.31Å; C400-M404 VanDerWaalsContact O-N 3.1Å; W401-M404 PolarHBondContact O-N 3.32Å; W401-M404 VanDerWaalsContact O-N 3.16Å; M404-G408 PolarHBondContact O-N 2.85Å; M404-G408 VanDerWaalsContact O-N 3.08Å
405	M	98.7	Very high	98.6	Very high	92 Å²	92	33.9 Å²	33.9	45%	0.453	18%	0.181	S	C	.	.	H	α-helix	trans	-67.9	-44.3	175.8	-67.5	-61.5	97.1	0	0	112.8	M187 W401 A402 T403	M187-M405 HydrophobicContact CE-CE 3.62Å; M187-M405 HydrophobicContact SD-CE 3.08Å; M187-M405 WeakPolarHBondContact SD-CE 3.46Å; W401-M405 HydrophobicContact CD2-CG 3.8Å; W401-M405 HydrophobicContact CE3-CG 3.87Å; W401-M405 HydrophobicContact CH2-CG 3.63Å; W401-M405 HydrophobicContact CH2-SD 4.37Å; W401-M405 HydrophobicContact CZ2-CG 3.57Å; W401-M405 HydrophobicContact CZ2-SD 3.92Å; W401-M405 HydrophobicContact CZ3-CB 4.47Å; W401-M405 HydrophobicContact CZ3-CG 3.79Å; W401-M405 WeakPolarHBondContact O-CG 3.23Å; W401-M405 PolarHBondContact O-N 2.96Å; A402-M405 PolarHBondContact O-N 3.47Å; T403-M405 VanDerWaalsContact C-N 3.28Å; T403-M405 PolarHBondContact O-N 2.75Å
406	Y	98.3	Very high	98.6	Very high	123 Å²	123	33.8 Å²	33.8	48%	0.482	18%	0.18	S	C	.	.	H	α-helix	trans	-67.3	-44.8	-179.3	175.5	-99.6	0	0	0	112.1	L152 L155 A402 T403	L152-Y406 HydrophobicContact CD1-CD1 3.82Å; L152-Y406 HydrophobicContact CD1-CE1 4.24Å; L155-Y406 HydrophobicContact CD2-CD1 4.46Å; L155-Y406 HydrophobicContact CD2-CD2 3.81Å; L155-Y406 HydrophobicContact CD2-CG 3.75Å; A402-Y406 WeakPolarHBondContact O-CB 3.38Å; A402-Y406 PolarHBondContact O-N 3.49Å; T403-Y406 PolarHBondContact O-N 3.01Å
407	M	98.2	Very high	98.6	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-44	178.4	-69.7	-59.6	-58	0	0	110.9	W147 Y352 T403 G411 Y412	W147-M407 HydrophobicContact CE3-CE 4.49Å; W147-M407 HydrophobicContact CH2-CE 3.56Å; W147-M407 HydrophobicContact CH2-SD 3.89Å; W147-M407 HydrophobicContact CZ2-CE 4.4Å; W147-M407 HydrophobicContact CZ2-SD 4.15Å; W147-M407 HydrophobicContact CZ3-CE 3.61Å; W147-M407 HydrophobicContact CZ3-SD 4.15Å; Y352-M407 HydrophobicContact CD2-CE 3.75Å; Y352-M407 HydrophobicContact CD2-CG 4.29Å; Y352-M407 HydrophobicContact CD2-SD 4.16Å; Y352-M407 HydrophobicContact CE2-CE 3.85Å; T403-M407 HydrophobicContact CG2-CG 3.9Å; T403-M407 VanDerWaalsContact O-CB 3.31Å; T403-M407 WeakPolarHBondContact O-CB 3.29Å; T403-M407 WeakPolarHBondContact O-CG 3.35Å; T403-M407 PolarHBondContact O-N 3.13Å; M407-G411 VanDerWaalsContact O-CA 3.24Å; M407-G411 WeakPolarHBondContact O-CA 3.48Å; M407-G411 PolarHBondContact O-N 2.98Å; M407-Y412 HydrophobicContact CB-CD1 4.47Å; M407-Y412 HydrophobicContact CB-CD2 3.97Å; M407-Y412 HydrophobicContact CB-CE1 4.15Å; M407-Y412 HydrophobicContact CB-CE2 3.62Å; M407-Y412 HydrophobicContact CB-CG 4.35Å; M407-Y412 HydrophobicContact CE-CD1 4.39Å; M407-Y412 HydrophobicContact CG-CE1 4.12Å; M407-Y412 HydrophobicContact CG-CE2 4.37Å
408	G	98.4	Very high	98.6	Very high	28 Å²	28	43 Å²	43	29%	0.289	22%	0.219	S	C	.	.	H	α-helix	trans	55.5	-176.1	-170.5	0	0	0	0	0	112.1	M404 Y412	M404-G408 PolarHBondContact O-N 2.85Å; M404-G408 VanDerWaalsContact O-N 3.08Å; G408-Y412 WeakPolarHBondContact O-CD2 3.48Å; G408-Y412 PolarHBondContact O-N 2.83Å
409	E	98.6	Very high	98.6	Very high	100 Å²	100	43 Å²	43	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-66.7	-42.6	179.2	-164.8	-167.6	123.1	0	0	112.2	F322 K325 G411 Y412 V413	F322-E409 HydrophobicContact CD1-CG 4.38Å; F322-E409 HydrophobicContact CE1-CG 4.13Å; K325-E409 WeakPolarHBondContact CD-OE1 3.27Å; K325-E409 VanDerWaalsContact CE-OE1 3.26Å; K325-E409 WeakPolarHBondContact CE-OE1 3.46Å; K325-E409 IonicContact NZ-OE1 3.61Å; K325-E409 PolarHBondContact NZ-OE1 2.87Å; K325-E409 IonicContact NZ-OE2 3.8Å; K325-E409 PolarHBondContact NZ-OE2 2.93Å; E409-G411 PolarHBondContact O-N 3.31Å; E409-Y412 PolarHBondContact O-N 2.93Å; E409-V413 HydrophobicContact CG-CG2 4.38Å; E409-V413 VanDerWaalsContact O-CG2 3.3Å; E409-V413 WeakPolarHBondContact O-CG2 3.43Å; E409-V413 PolarHBondContact O-N 3.49Å
410	S	98.6	Very high	98.6	Very high	92 Å²	92	43 Å²	43	64%	0.643	22%	0.219	S	C	*	.	H	α-helix	trans	-62.5	-42.9	-177.3	52.8	0	0	0	0	112.4	Y412 V413 E414	S410-Y412 PolarHBondContact O-N 3.47Å; S410-V413 PolarHBondContact O-N 2.95Å; S410-E414 PolarHBondContact O-N 3.33Å
411	G	98.3	Very high	98.6	Very high	21 Å²	21	44.3 Å²	44.3	22%	0.216	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-41.5	177.5	0	0	0	0	0	112.2	M407 E409 A415	M407-G411 VanDerWaalsContact O-CA 3.24Å; M407-G411 WeakPolarHBondContact O-CA 3.48Å; M407-G411 PolarHBondContact O-N 2.98Å; E409-G411 PolarHBondContact O-N 3.31Å; G411-A415 VanDerWaalsContact O-CB 3.32Å; G411-A415 WeakPolarHBondContact O-CB 3.21Å; G411-A415 PolarHBondContact O-N 3.13Å
412	Y	98.8	Very high	98.6	Very high	6 Å²	6	42 Å²	42	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-40.3	174.6	-75.7	-58.5	0	0	0	112.7	F318 F322 Y350 G351 Y352 M407 G408 E409 S410 T416	F318-Y412 HydrophobicContact CD1-CE1 4.29Å; F322-Y412 HydrophobicContact CD2-CG 4.29Å; F322-Y412 HydrophobicContact CE1-CD2 4.32Å; F322-Y412 HydrophobicContact CE1-CG 4.33Å; F322-Y412 HydrophobicContact CE2-CD1 4.05Å; F322-Y412 HydrophobicContact CE2-CD2 4.01Å; F322-Y412 AromaticContact CE2-CG 3.57Å; F322-Y412 HydrophobicContact CE2-CG 3.57Å; F322-Y412 VanDerWaalsContact CZ-CB 3.44Å; F322-Y412 HydrophobicContact CZ-CD1 4.46Å; F322-Y412 AromaticContact CZ-CD2 3.59Å; F322-Y412 HydrophobicContact CZ-CD2 3.59Å; F322-Y412 HydrophobicContact CZ-CE2 4.49Å; F322-Y412 AromaticContact CZ-CG 3.6Å; F322-Y412 HydrophobicContact CZ-CG 3.6Å; Y350-Y412 WeakPolarHBondContact O-CE1 3.41Å; G351-Y412 PolarHBondContact O-OH 3.45Å; Y352-Y412 AromaticContact CD2-CD1 3.98Å; Y352-Y412 HydrophobicContact CD2-CD1 3.98Å; Y352-Y412 AromaticContact CD2-CE1 3.54Å; Y352-Y412 HydrophobicContact CD2-CE1 3.54Å; Y352-Y412 AromaticContact CE2-CD1 3.63Å; Y352-Y412 HydrophobicContact CE2-CD1 3.63Å; Y352-Y412 AromaticContact CE2-CE1 3.68Å; Y352-Y412 HydrophobicContact CE2-CE1 3.68Å; M407-Y412 HydrophobicContact CB-CD1 4.47Å; M407-Y412 HydrophobicContact CB-CD2 3.97Å; M407-Y412 HydrophobicContact CB-CE1 4.15Å; M407-Y412 HydrophobicContact CB-CE2 3.62Å; M407-Y412 HydrophobicContact CB-CG 4.35Å; M407-Y412 HydrophobicContact CE-CD1 4.39Å; M407-Y412 HydrophobicContact CG-CE1 4.12Å; M407-Y412 HydrophobicContact CG-CE2 4.37Å; G408-Y412 WeakPolarHBondContact O-CD2 3.48Å; G408-Y412 PolarHBondContact O-N 2.83Å; E409-Y412 PolarHBondContact O-N 2.93Å; S410-Y412 PolarHBondContact O-N 3.47Å; Y412-T416 VanDerWaalsContact O-CB 3.27Å; Y412-T416 WeakPolarHBondContact O-CB 3.42Å; Y412-T416 PolarHBondContact O-N 3.49Å; Y412-T416 PolarHBondContact O-OG1 2.87Å
413	V	98.8	Very high	98.6	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.109	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-46.5	176.7	170.3	0	0	0	0	111.1	F322 K325 A326 E409 S410 T416 K417	F322-V413 HydrophobicContact CB-CG2 4.14Å; F322-V413 HydrophobicContact CD1-CG2 3.99Å; F322-V413 HydrophobicContact CG-CG2 4.42Å; K325-V413 HydrophobicContact CB-CG1 4.32Å; K325-V413 HydrophobicContact CB-CG2 3.77Å; K325-V413 HydrophobicContact CD-CG2 4.43Å; A326-V413 HydrophobicContact CB-CG1 4.26Å; E409-V413 HydrophobicContact CG-CG2 4.38Å; E409-V413 VanDerWaalsContact O-CG2 3.3Å; E409-V413 WeakPolarHBondContact O-CG2 3.43Å; E409-V413 PolarHBondContact O-N 3.49Å; S410-V413 PolarHBondContact O-N 2.95Å; V413-T416 PolarHBondContact O-N 3.04Å; V413-K417 WeakPolarHBondContact O-CB 3.34Å; V413-K417 PolarHBondContact O-N 3.17Å
414	E	98.5	Very high	98.6	Very high	92 Å²	92	45 Å²	45	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-43.5	178.5	-76.8	-58.6	121.6	0	0	112.3	S410 T416 K417 K418	S410-E414 PolarHBondContact O-N 3.33Å; E414-T416 VanDerWaalsContact C-N 3.34Å; E414-T416 PolarHBondContact O-N 3.36Å; E414-K417 WeakPolarHBondContact O-CB 3.49Å; E414-K417 PolarHBondContact O-N 2.99Å; E414-K418 WeakPolarHBondContact O-CG 3.37Å; E414-K418 PolarHBondContact O-N 3.46Å; E414-K418 VanDerWaalsContact O-N 3.09Å
415	A	98.4	Very high	98.6	Very high	7 Å²	7	48.3 Å²	48.3	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-44.3	175	0	0	0	0	0	111.3	W147 Y352 G411 K417 K418 I419	W147-A415 HydrophobicContact CZ3-CB 4.06Å; Y352-A415 HydrophobicContact CE2-CB 4.01Å; Y352-A415 WeakPolarHBondContact OH-CB 3.46Å; G411-A415 VanDerWaalsContact O-CB 3.32Å; G411-A415 WeakPolarHBondContact O-CB 3.21Å; G411-A415 PolarHBondContact O-N 3.13Å; A415-K417 VanDerWaalsContact C-N 3.34Å; A415-K417 PolarHBondContact O-N 3.46Å; A415-K418 PolarHBondContact O-N 3.36Å; A415-I419 WeakPolarHBondContact O-CB 3.36Å; A415-I419 WeakPolarHBondContact O-CD1 3.44Å; A415-I419 VanDerWaalsContact O-CG1 3.29Å; A415-I419 WeakPolarHBondContact O-CG1 3.37Å; A415-I419 PolarHBondContact O-N 3.32Å
416	T	98.8	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-46.4	175.1	-59.9	0	0	0	0	110.7	L319 F322 M323 A326 Y412 V413 E414 K418 I419 I420	L319-T416 HydrophobicContact CB-CG2 4.48Å; L319-T416 HydrophobicContact CD2-CG2 4.17Å; F322-T416 HydrophobicContact CB-CG2 4.36Å; M323-T416 HydrophobicContact CG-CG2 4.38Å; M323-T416 HydrophobicContact SD-CG2 4.07Å; A326-T416 HydrophobicContact CB-CG2 3.96Å; Y412-T416 VanDerWaalsContact O-CB 3.27Å; Y412-T416 WeakPolarHBondContact O-CB 3.42Å; Y412-T416 PolarHBondContact O-N 3.49Å; Y412-T416 PolarHBondContact O-OG1 2.87Å; V413-T416 PolarHBondContact O-N 3.04Å; E414-T416 VanDerWaalsContact C-N 3.34Å; E414-T416 PolarHBondContact O-N 3.36Å; T416-K418 VanDerWaalsContact C-N 3.34Å; T416-K418 PolarHBondContact O-N 2.93Å; T416-I419 PolarHBondContact O-N 3.11Å; T416-I420 HydrophobicContact CG2-CG1 3.9Å; T416-I420 VanDerWaalsContact O-CB 3.32Å; T416-I420 WeakPolarHBondContact O-CB 3.44Å; T416-I420 WeakPolarHBondContact O-CG1 3.42Å; T416-I420 PolarHBondContact O-N 3.48Å
417	K	98.6	Very high	98.6	Very high	106 Å²	106	39.4 Å²	39.4	46%	0.461	21%	0.211	S	C	.	.	H	α-helix	trans	-55.9	-47.6	179	-171.2	177.6	179.6	-178.5	0	112.2	A326 Y328 V413 E414 A415 G421	A326-K417 HydrophobicContact CB-CB 4.23Å; Y328-K417 PolarHBondContact OH-O 3.05Å; V413-K417 WeakPolarHBondContact O-CB 3.34Å; V413-K417 PolarHBondContact O-N 3.17Å; E414-K417 WeakPolarHBondContact O-CB 3.49Å; E414-K417 PolarHBondContact O-N 2.99Å; A415-K417 VanDerWaalsContact C-N 3.34Å; A415-K417 PolarHBondContact O-N 3.46Å; K417-G421 PolarHBondContact O-N 2.77Å
418	K	98.4	Very high	98.6	Very high	120 Å²	120	42.1 Å²	42.1	52%	0.522	23%	0.225	S	C	.	.	H	α-helix	trans	-66.3	-48	179.4	-68.7	178.2	-178.6	179.4	0	112.6	E414 A415 T416 G421 T422 T488	E414-K418 WeakPolarHBondContact O-CG 3.37Å; E414-K418 PolarHBondContact O-N 3.46Å; E414-K418 VanDerWaalsContact O-N 3.09Å; A415-K418 PolarHBondContact O-N 3.36Å; T416-K418 VanDerWaalsContact C-N 3.34Å; T416-K418 PolarHBondContact O-N 2.93Å; K418-G421 PolarHBondContact O-N 3.09Å; K418-T422 WeakPolarHBondContact O-CB 3.29Å; K418-T422 PolarHBondContact O-N 2.87Å; K418-T422 PolarHBondContact O-OG1 3.45Å; K418-T488 HydrophobicContact CB-CG2 3.92Å
419	I	98.8	Very high	98.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-47.9	-178.9	-69.5	164.4	0	0	0	110.4	L319 Y350 Y352 A415 T416 T422 A423 C483 V485 T488	L319-I419 HydrophobicContact CD1-CG2 4.23Å; L319-I419 HydrophobicContact CD2-CD1 3.96Å; L319-I419 HydrophobicContact CD2-CG2 4.47Å; Y350-I419 HydrophobicContact CD1-CD1 3.87Å; Y350-I419 HydrophobicContact CE1-CD1 3.99Å; Y350-I419 HydrophobicContact CE1-CG2 4.39Å; Y352-I419 WeakPolarHBondContact OH-CD1 3.26Å; A415-I419 WeakPolarHBondContact O-CB 3.36Å; A415-I419 WeakPolarHBondContact O-CD1 3.44Å; A415-I419 VanDerWaalsContact O-CG1 3.29Å; A415-I419 WeakPolarHBondContact O-CG1 3.37Å; A415-I419 PolarHBondContact O-N 3.32Å; T416-I419 PolarHBondContact O-N 3.11Å; I419-T422 WeakPolarHBondContact O-CB 3.45Å; I419-T422 PolarHBondContact O-N 2.93Å; I419-A423 WeakPolarHBondContact O-CB 3.39Å; I419-A423 PolarHBondContact O-N 2.57Å; I419-C483 HydrophobicContact CG2-CB 4.28Å; I419-V485 HydrophobicContact CD1-CG2 3.88Å; I419-V485 HydrophobicContact CG1-CG2 4.36Å; I419-T488 HydrophobicContact CG1-CG2 3.98Å
420	I	98.6	Very high	98.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70.9	-38.5	-176.6	-58.7	-69.6	0	0	0	111	M323 Y328 T416 T422 A423 R424 V444	M323-I420 HydrophobicContact CE-CD1 4.21Å; M323-I420 HydrophobicContact CE-CG2 4.2Å; M323-I420 HydrophobicContact SD-CB 4.36Å; M323-I420 HydrophobicContact SD-CD1 3.6Å; M323-I420 VanDerWaalsContact SD-CD1 3.6Å; M323-I420 HydrophobicContact SD-CG1 3.53Å; M323-I420 VanDerWaalsContact SD-CG1 3.53Å; M323-I420 HydrophobicContact SD-CG2 4.12Å; Y328-I420 HydrophobicContact CD1-CG2 4.18Å; Y328-I420 HydrophobicContact CD2-CB 3.94Å; Y328-I420 HydrophobicContact CD2-CG1 4.39Å; Y328-I420 HydrophobicContact CD2-CG2 3.57Å; Y328-I420 HydrophobicContact CE1-CG2 4.04Å; Y328-I420 HydrophobicContact CE2-CB 3.53Å; Y328-I420 HydrophobicContact CE2-CG1 4.34Å; Y328-I420 HydrophobicContact CE2-CG2 3.43Å; Y328-I420 VanDerWaalsContact CE2-CG2 3.43Å; Y328-I420 HydrophobicContact CG-CG2 3.93Å; T416-I420 HydrophobicContact CG2-CG1 3.9Å; T416-I420 VanDerWaalsContact O-CB 3.32Å; T416-I420 WeakPolarHBondContact O-CB 3.44Å; T416-I420 WeakPolarHBondContact O-CG1 3.42Å; T416-I420 PolarHBondContact O-N 3.48Å; I420-T422 VanDerWaalsContact C-N 3.29Å; I420-T422 PolarHBondContact O-N 3.43Å; I420-A423 PolarHBondContact O-N 2.84Å; I420-R424 HydrophobicContact CG2-CG 4.31Å; I420-R424 VanDerWaalsContact O-CB 3.32Å; I420-R424 WeakPolarHBondContact O-CB 3.2Å; I420-R424 VanDerWaalsContact O-CG 3.23Å; I420-R424 WeakPolarHBondContact O-CG 3.28Å; I420-R424 PolarHBondContact O-N 3.18Å; I420-V444 HydrophobicContact CD1-CB 4.46Å; I420-V444 HydrophobicContact CD1-CG1 4.07Å
421	G	98.5	Very high	98.6	Very high	29 Å²	29	39.8 Å²	39.8	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-58.2	-44.1	172	0	0	0	0	0	111.7	Y328 K417 K418 K425	Y328-G421 PolarHBondContact OH-N 3.3Å; K417-G421 PolarHBondContact O-N 2.77Å; K418-G421 PolarHBondContact O-N 3.09Å; G421-K425 WeakPolarHBondContact O-CB 3.38Å; G421-K425 PolarHBondContact O-N 3.05Å
422	T	98.8	Very high	98.6	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-49.8	177.4	-58.5	0	0	0	0	112.1	K418 I419 I420 R424 K425 I426 H487 A493	K418-T422 WeakPolarHBondContact O-CB 3.29Å; K418-T422 PolarHBondContact O-N 2.87Å; K418-T422 PolarHBondContact O-OG1 3.45Å; I419-T422 WeakPolarHBondContact O-CB 3.45Å; I419-T422 PolarHBondContact O-N 2.93Å; I420-T422 VanDerWaalsContact C-N 3.29Å; I420-T422 PolarHBondContact O-N 3.43Å; T422-R424 VanDerWaalsContact C-N 3.33Å; T422-R424 PolarHBondContact O-N 3.23Å; T422-K425 WeakPolarHBondContact O-CB 3.41Å; T422-K425 PolarHBondContact O-N 2.89Å; T422-I426 HydrophobicContact CG2-CD1 3.97Å; T422-I426 WeakPolarHBondContact O-CG1 3.29Å; T422-I426 PolarHBondContact O-N 3.4Å; T422-H487 HydrophobicContact CG2-CB 4.47Å; T422-A493 HydrophobicContact CG2-CB 3.73Å
423	A	98.6	Very high	98.6	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-41	178.8	0	0	0	0	0	111.9	I419 I420 I426 R427 V444 V447 C483	I419-A423 WeakPolarHBondContact O-CB 3.39Å; I419-A423 PolarHBondContact O-N 2.57Å; I420-A423 PolarHBondContact O-N 2.84Å; A423-I426 PolarHBondContact O-N 3.03Å; A423-R427 VanDerWaalsContact O-CB 3.26Å; A423-R427 WeakPolarHBondContact O-CB 3.37Å; A423-R427 PolarHBondContact O-N 2.94Å; A423-V444 WeakPolarHBondContact CB-O 3.29Å; A423-V447 HydrophobicContact CB-CG2 4.48Å; A423-C483 HydrophobicContact CB-CB 4.27Å
424	R	98.4	Very high	98.5	Very high	68 Å²	68	54 Å²	54	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-41.2	175.4	-73.4	176.8	178.3	-149.7	-1.4	112.2	I420 T422 N428	I420-R424 HydrophobicContact CG2-CG 4.31Å; I420-R424 VanDerWaalsContact O-CB 3.32Å; I420-R424 WeakPolarHBondContact O-CB 3.2Å; I420-R424 VanDerWaalsContact O-CG 3.23Å; I420-R424 WeakPolarHBondContact O-CG 3.28Å; I420-R424 PolarHBondContact O-N 3.18Å; T422-R424 VanDerWaalsContact C-N 3.33Å; T422-R424 PolarHBondContact O-N 3.23Å; R424-N428 VanDerWaalsContact O-CB 3.25Å; R424-N428 WeakPolarHBondContact O-CB 3.34Å; R424-N428 PolarHBondContact O-N 2.86Å; R424-N428 PolarHBondContact O-ND2 2.98Å; R424-N428 PolarHBondContact O-OD1 3.5Å
425	K	98.6	Very high	98.5	Very high	80 Å²	80	49.9 Å²	49.9	35%	0.348	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-53.3	174	-179.7	179.5	176.2	176.3	0	110.5	G421 T422 R427 N428 E429 D494 I497	G421-K425 WeakPolarHBondContact O-CB 3.38Å; G421-K425 PolarHBondContact O-N 3.05Å; T422-K425 WeakPolarHBondContact O-CB 3.41Å; T422-K425 PolarHBondContact O-N 2.89Å; K425-R427 PolarHBondContact O-N 3.39Å; K425-N428 PolarHBondContact O-N 3.25Å; K425-E429 WeakPolarHBondContact O-CG 3.32Å; K425-E429 PolarHBondContact O-N 2.96Å; K425-D494 WeakPolarHBondContact CE-OD1 3.26Å; K425-D494 IonicContact NZ-OD1 2.64Å; K425-D494 PolarHBondContact NZ-OD1 3.49Å; K425-D494 IonicContact NZ-OD2 2.62Å; K425-D494 PolarHBondContact NZ-OD2 3.39Å; K425-I497 HydrophobicContact CG-CD1 4.14Å
426	I	98.8	Very high	98.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-57.2	-51.1	179	-69.2	171.7	0	0	0	110.9	T422 A423 N428 E429 I430 V447 L481 A493 F496 I497	T422-I426 HydrophobicContact CG2-CD1 3.97Å; T422-I426 WeakPolarHBondContact O-CG1 3.29Å; T422-I426 PolarHBondContact O-N 3.4Å; A423-I426 PolarHBondContact O-N 3.03Å; I426-N428 VanDerWaalsContact C-N 3.34Å; I426-N428 PolarHBondContact O-N 3.25Å; I426-E429 PolarHBondContact O-N 3.28Å; I426-I430 HydrophobicContact CG2-CD1 3.5Å; I426-I430 VanDerWaalsContact CG2-CD1 3.5Å; I426-I430 HydrophobicContact CG2-CG1 4.38Å; I426-I430 WeakPolarHBondContact O-CB 3.01Å; I426-I430 VanDerWaalsContact O-CG1 3.25Å; I426-I430 WeakPolarHBondContact O-CG1 3.48Å; I426-I430 PolarHBondContact O-N 2.96Å; I426-V447 HydrophobicContact CG2-CG1 4.48Å; I426-V447 HydrophobicContact CG2-CG2 4.48Å; I426-L481 HydrophobicContact CD1-CD2 3.82Å; I426-A493 HydrophobicContact CD1-CB 4.06Å; I426-A493 HydrophobicContact CG1-CB 4.14Å; I426-F496 HydrophobicContact CD1-CD1 4.25Å; I426-F496 HydrophobicContact CG1-CD1 4.41Å; I426-F496 HydrophobicContact CG2-CD1 3.93Å; I426-F496 HydrophobicContact CG2-CE1 3.83Å; I426-I497 HydrophobicContact CG1-CD1 4.08Å; I426-I497 HydrophobicContact CG1-CG1 4.19Å
427	R	98.5	Very high	98.5	Very high	28 Å²	28	53.3 Å²	53.3	11%	0.106	25%	0.245	C	C	.	.	H	α-helix	trans	-54.6	-48.5	176.6	-179.1	-164.7	68.7	-169.6	1.5	112.3	A423 K425 R431 V438 P442 V447	A423-R427 VanDerWaalsContact O-CB 3.26Å; A423-R427 WeakPolarHBondContact O-CB 3.37Å; A423-R427 PolarHBondContact O-N 2.94Å; K425-R427 PolarHBondContact O-N 3.39Å; R427-R431 WeakPolarHBondContact O-CG 3.36Å; R427-R431 PolarHBondContact O-N 3.22Å; R427-V438 HydrophobicContact CG-CG1 4.18Å; R427-V438 HydrophobicContact CG-CG2 4.38Å; R427-P442 HydrophobicContact CG-CG 4.36Å; R427-P442 PolarHBondContact NH1-O 3.48Å; R427-V447 HydrophobicContact CB-CG1 4.27Å; R427-V447 HydrophobicContact CB-CG2 4.13Å
428	N	98.6	Very high	98.5	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.353	23%	0.226	S	C	.	.	H	α-helix	trans	-69.7	-39.1	-175	-69.6	-6.1	0	0	0	111.9	R424 K425 I426	R424-N428 VanDerWaalsContact O-CB 3.25Å; R424-N428 WeakPolarHBondContact O-CB 3.34Å; R424-N428 PolarHBondContact O-N 2.86Å; R424-N428 PolarHBondContact O-ND2 2.98Å; R424-N428 PolarHBondContact O-OD1 3.5Å; K425-N428 PolarHBondContact O-N 3.25Å; I426-N428 VanDerWaalsContact C-N 3.34Å; I426-N428 PolarHBondContact O-N 3.25Å
429	E	98.6	Very high	98.5	Very high	65 Å²	65	44 Å²	44	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-72.8	-39.7	177.7	-66.2	-49.3	124.9	0	0	112.2	K425 I426 R431 K432 I497	K425-E429 WeakPolarHBondContact O-CG 3.32Å; K425-E429 PolarHBondContact O-N 2.96Å; I426-E429 PolarHBondContact O-N 3.28Å; E429-R431 VanDerWaalsContact C-N 3.29Å; E429-R431 PolarHBondContact O-N 3.14Å; E429-K432 VanDerWaalsContact CD-NZ 3.29Å; E429-K432 WeakPolarHBondContact O-CB 3.43Å; E429-K432 PolarHBondContact O-N 2.75Å; E429-K432 IonicContact OE1-NZ 2.66Å; E429-K432 PolarHBondContact OE1-NZ 3.34Å; E429-K432 IonicContact OE2-NZ 3.18Å; E429-K432 PolarHBondContact OE2-NZ 2.84Å; E429-I497 HydrophobicContact CB-CD1 3.99Å; E429-I497 HydrophobicContact CB-CG1 4.21Å; E429-I497 HydrophobicContact CB-CG2 3.61Å; E429-I497 HydrophobicContact CG-CD1 4Å; E429-I497 HydrophobicContact CG-CG2 4.23Å
430	I	98.4	Very high	98.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-39.2	176.6	-70.4	171	0	0	0	111.3	I426 K432 I433 V436 V438 I449 F496	I426-I430 HydrophobicContact CG2-CD1 3.5Å; I426-I430 VanDerWaalsContact CG2-CD1 3.5Å; I426-I430 HydrophobicContact CG2-CG1 4.38Å; I426-I430 WeakPolarHBondContact O-CB 3.01Å; I426-I430 VanDerWaalsContact O-CG1 3.25Å; I426-I430 WeakPolarHBondContact O-CG1 3.48Å; I426-I430 PolarHBondContact O-N 2.96Å; I430-K432 PolarHBondContact O-N 3.39Å; I430-K432 VanDerWaalsContact O-N 3.07Å; I430-I433 WeakPolarHBondContact O-CB 3.45Å; I430-I433 PolarHBondContact O-N 2.81Å; I430-V436 HydrophobicContact CG2-CG2 4.1Å; I430-V438 HydrophobicContact CB-CG2 4.22Å; I430-V438 HydrophobicContact CG2-CG2 3.82Å; I430-I449 HydrophobicContact CD1-CD1 3.59Å; I430-I449 HydrophobicContact CD1-CG1 4.04Å; I430-I449 HydrophobicContact CG2-CG1 4.35Å; I430-I449 HydrophobicContact CG2-CG2 4.13Å; I430-F496 HydrophobicContact CD1-CE1 4.01Å
431	R	98.5	Very high	98.3	Very high	106 Å²	106	48.5 Å²	48.5	40%	0.4	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	175.7	-79.2	177.6	173.6	163.9	-1.2	114	R427 E429 V438 G440 N441	R427-R431 WeakPolarHBondContact O-CG 3.36Å; R427-R431 PolarHBondContact O-N 3.22Å; E429-R431 VanDerWaalsContact C-N 3.29Å; E429-R431 PolarHBondContact O-N 3.14Å; R431-V438 HydrophobicContact CG-CB 4.21Å; R431-V438 HydrophobicContact CG-CG2 3.97Å; R431-G440 PolarHBondContact NH2-O 2.77Å; R431-N441 PolarHBondContact NH1-OD1 3.42Å; R431-N441 PolarHBondContact NH2-OD1 3.27Å
432	K	98.5	Very high	98.2	Very high	144 Å²	144	47.4 Å²	47.4	63%	0.626	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.5	177.1	-59.2	170.9	-173	172	0	112.9	E429 I430	E429-K432 VanDerWaalsContact CD-NZ 3.29Å; E429-K432 WeakPolarHBondContact O-CB 3.43Å; E429-K432 PolarHBondContact O-N 2.75Å; E429-K432 IonicContact OE1-NZ 2.66Å; E429-K432 PolarHBondContact OE1-NZ 3.34Å; E429-K432 IonicContact OE2-NZ 3.18Å; E429-K432 PolarHBondContact OE2-NZ 2.84Å; I430-K432 PolarHBondContact O-N 3.39Å; I430-K432 VanDerWaalsContact O-N 3.07Å
433	I	98.6	Very high	98.1	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.097	23%	0.226	C	C	.	.	S	Bend	trans	-87.8	113.3	-176.6	-56.4	173.2	0	0	0	108.8	I430 V436 V500 K501 V504	I430-I433 WeakPolarHBondContact O-CB 3.45Å; I430-I433 PolarHBondContact O-N 2.81Å; I433-V436 HydrophobicContact CB-CG2 3.81Å; I433-V436 HydrophobicContact CG2-CG2 3.91Å; I433-V436 PolarHBondContact O-N 3.49Å; I433-V500 HydrophobicContact CD1-CG1 3.87Å; I433-K501 HydrophobicContact CD1-CB 3.89Å; I433-K501 HydrophobicContact CD1-CG 4.48Å; I433-K501 HydrophobicContact CG1-CB 4.43Å; I433-K501 HydrophobicContact CG1-CG 4.49Å; I433-V504 HydrophobicContact CG2-CB 4.07Å; I433-V504 HydrophobicContact CG2-CG1 3.85Å; I433-V504 HydrophobicContact CG2-CG2 4.36Å
434	K	97.8	Very high	98.1	Very high	180 Å²	180	48.8 Å²	48.8	78%	0.783	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	136	171.3	-174.1	-177.4	178.8	-176.1	0	109.8	V504	K434-V504 WeakPolarHBondContact O-CG1 3.44Å
435	G	97.4	Very high	98	Very high	6 Å²	6	45.6 Å²	45.6	6%	0.062	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.3	-18.7	-176.4	0	0	0	0	0	113.9	S451 D453 F454	G435-S451 VanDerWaalsContact O-CB 3.26Å; G435-S451 WeakPolarHBondContact O-CB 3.35Å; G435-S451 PolarHBondContact O-OG 2.59Å; G435-D453 VanDerWaalsContact CA-OD2 3.26Å; G435-D453 WeakPolarHBondContact CA-OD2 3.21Å; G435-F454 WeakPolarHBondContact O-CE1 3.25Å
436	V	98.6	Very high	98	Very high	16 Å²	16	41.8 Å²	41.8	10%	0.097	20%	0.198	C	C	.	.			trans	-138.9	159.6	-178.1	-66.9	0	0	0	0	111.7	I430 I433 I449 G450 F454 I456 L459 V504	I430-V436 HydrophobicContact CG2-CG2 4.1Å; I433-V436 HydrophobicContact CB-CG2 3.81Å; I433-V436 HydrophobicContact CG2-CG2 3.91Å; I433-V436 PolarHBondContact O-N 3.49Å; V436-I449 HydrophobicContact CB-CG2 3.94Å; V436-I449 HydrophobicContact CG1-CG2 4.22Å; V436-G450 CarbonylContact C-O 2.94Å; V436-G450 VanDerWaalsContact CA-O 3.25Å; V436-G450 WeakPolarHBondContact CA-O 3.5Å; V436-G450 WeakPolarHBondContact CB-O 3.34Å; V436-F454 HydrophobicContact CG1-CE1 3.95Å; V436-F454 HydrophobicContact CG1-CZ 3.7Å; V436-I456 HydrophobicContact CG1-CD1 4.46Å; V436-L459 HydrophobicContact CG1-CD2 4.25Å; V436-V504 HydrophobicContact CG1-CG1 4.46Å; V436-V504 HydrophobicContact CG1-CG2 3.68Å; V436-V504 HydrophobicContact CG2-CG2 4.4Å
437	F	98.5	Very high	98	Very high	63 Å²	63	41.9 Å²	41.9	28%	0.276	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	163.6	174	65.8	-91.3	0	0	0	111	F439 I449 G450 E452	F437-F439 AromaticContact CE2-CD1 3.8Å; F437-F439 HydrophobicContact CE2-CD1 3.8Å; F437-F439 AromaticContact CE2-CD2 3.89Å; F437-F439 HydrophobicContact CE2-CD2 3.89Å; F437-F439 AromaticContact CE2-CE1 3.56Å; F437-F439 HydrophobicContact CE2-CE1 3.56Å; F437-F439 AromaticContact CE2-CE2 3.67Å; F437-F439 HydrophobicContact CE2-CE2 3.67Å; F437-F439 AromaticContact CE2-CG 3.95Å; F437-F439 HydrophobicContact CE2-CG 3.95Å; F437-F439 AromaticContact CE2-CZ 3.5Å; F437-F439 HydrophobicContact CE2-CZ 3.5Å; F437-F439 AromaticContact CZ-CE1 3.86Å; F437-F439 HydrophobicContact CZ-CE1 3.86Å; F437-F439 AromaticContact CZ-CE2 3.91Å; F437-F439 HydrophobicContact CZ-CE2 3.91Å; F437-F439 AromaticContact CZ-CZ 3.51Å; F437-F439 HydrophobicContact CZ-CZ 3.51Å; F437-I449 WeakPolarHBondContact O-CA 3.46Å; F437-G450 VanDerWaalsContact CE1-C 3.43Å; F437-G450 PolarHBondContact N-O 3.21Å; F437-G450 PolarHBondContact O-N 3.06Å; F437-E452 HydrophobicContact CD1-CG 4.36Å; F437-E452 HydrophobicContact CE1-CG 3.82Å
438	V	98.6	Very high	98.1	Very high	13 Å²	13	40.6 Å²	40.6	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130	171.4	175	0	0	0	0	109.2	R427 I430 R431 G440 P442 V447 A448	R427-V438 HydrophobicContact CG-CG1 4.18Å; R427-V438 HydrophobicContact CG-CG2 4.38Å; I430-V438 HydrophobicContact CB-CG2 4.22Å; I430-V438 HydrophobicContact CG2-CG2 3.82Å; R431-V438 HydrophobicContact CG-CB 4.21Å; R431-V438 HydrophobicContact CG-CG2 3.97Å; V438-G440 PolarHBondContact O-N 3.48Å; V438-P442 HydrophobicContact CG1-CG 3.86Å; V438-V447 HydrophobicContact CG1-CG1 4.06Å; V438-V447 HydrophobicContact CG2-CG1 4.03Å; V438-A448 VanDerWaalsContact CA-O 3.32Å; V438-A448 WeakPolarHBondContact CA-O 3.38Å; V438-A448 WeakPolarHBondContact CG1-O 3.24Å
439	F	98.3	Very high	98.1	Very high	19 Å²	19	37.5 Å²	37.5	8%	0.083	18%	0.177	C	C	.	.	S	Bend	trans	-64.9	124.7	176.4	-79.7	-82.9	0	0	0	111.6	M262 H289 F437 P442 A448 P476 S478	M262-F439 HydrophobicContact CE-CD1 4.01Å; M262-F439 HydrophobicContact CG-CB 4.3Å; M262-F439 HydrophobicContact CG-CD1 4.28Å; M262-F439 HydrophobicContact SD-CD1 4.14Å; H289-F439 HydrophobicContact CB-CB 4.32Å; H289-F439 AromaticContact CD2-CG 3.83Å; F437-F439 AromaticContact CE2-CD1 3.8Å; F437-F439 HydrophobicContact CE2-CD1 3.8Å; F437-F439 AromaticContact CE2-CD2 3.89Å; F437-F439 HydrophobicContact CE2-CD2 3.89Å; F437-F439 AromaticContact CE2-CE1 3.56Å; F437-F439 HydrophobicContact CE2-CE1 3.56Å; F437-F439 AromaticContact CE2-CE2 3.67Å; F437-F439 HydrophobicContact CE2-CE2 3.67Å; F437-F439 AromaticContact CE2-CG 3.95Å; F437-F439 HydrophobicContact CE2-CG 3.95Å; F437-F439 AromaticContact CE2-CZ 3.5Å; F437-F439 HydrophobicContact CE2-CZ 3.5Å; F437-F439 AromaticContact CZ-CE1 3.86Å; F437-F439 HydrophobicContact CZ-CE1 3.86Å; F437-F439 AromaticContact CZ-CE2 3.91Å; F437-F439 HydrophobicContact CZ-CE2 3.91Å; F437-F439 AromaticContact CZ-CZ 3.51Å; F437-F439 HydrophobicContact CZ-CZ 3.51Å; F439-P442 WeakPolarHBondContact O-CD 3.32Å; F439-A448 HydrophobicContact CB-CB 4.25Å; F439-A448 HydrophobicContact CD2-CB 4.2Å; F439-A448 PolarHBondContact N-O 3.12Å; F439-A448 VanDerWaalsContact N-O 3.09Å; F439-P476 HydrophobicContact CD1-CG 4.21Å; F439-P476 HydrophobicContact CE1-CB 4.23Å; F439-P476 HydrophobicContact CE1-CG 3.33Å; F439-P476 HydrophobicContact CE2-CG 4.49Å; F439-P476 HydrophobicContact CZ-CB 4.1Å; F439-P476 HydrophobicContact CZ-CG 3.49Å; F439-P476 VanDerWaalsContact CZ-CG 3.49Å; F439-S478 WeakPolarHBondContact CD2-OG 3.2Å; F439-S478 VanDerWaalsContact CE2-CB 3.47Å; F439-S478 WeakPolarHBondContact CE2-OG 3.41Å
440	G	97.1	Very high	98	Very high	18 Å²	18	34.4 Å²	34.4	19%	0.186	16%	0.162	C	C	.	.	S	Bend	trans	55.8	-142.6	178.8	0	0	0	0	0	113.9	R431 V438	R431-G440 PolarHBondContact NH2-O 2.77Å; V438-G440 PolarHBondContact O-N 3.48Å
441	N	96.9	Very high	98	Very high	76 Å²	76	35.4 Å²	35.4	41%	0.406	17%	0.169	S	C	.	.			trans	-131.9	82.2	176.4	-171.2	52	0	0	0	111.2	I291 R431 E443	I291-N441 VanDerWaalsContact CD1-C 3.49Å; R431-N441 PolarHBondContact NH1-OD1 3.42Å; R431-N441 PolarHBondContact NH2-OD1 3.27Å; N441-E443 PolarHBondContact O-N 2.97Å
442	P	97.1	Very high	97.9	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.032	19%	0.19	C	C	.	.			trans	-67.1	130.1	178	25.2	-31.8	0	0	0	110.6	G290 I291 R427 V438 F439 V446	G290-P442 WeakPolarHBondContact O-CA 3.31Å; I291-P442 HydrophobicContact CD1-CB 4.37Å; R427-P442 HydrophobicContact CG-CG 4.36Å; R427-P442 PolarHBondContact NH1-O 3.48Å; V438-P442 HydrophobicContact CG1-CG 3.86Å; F439-P442 WeakPolarHBondContact O-CD 3.32Å; P442-V446 WeakPolarHBondContact CB-O 3.35Å
443	E	96.3	Very high	97.9	Very high	49 Å²	49	36.1 Å²	36.1	23%	0.229	18%	0.182	C	C	.	.			trans	-108.1	-13	-176.1	-60.6	-174	84.4	0	0	113.1	M323 L330 N441	M323-E443 WeakPolarHBondContact CE-O 3.3Å; L330-E443 HydrophobicContact CD2-CB 3.84Å; N441-E443 PolarHBondContact O-N 2.97Å
444	V	97.3	Very high	97.8	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	18%	0.181	C	C	.	.	S	Bend	trans	-106.2	-128.6	-175.8	-161.5	0	0	0	0	109.6	P285 M292 L319 I320 I420 A423	P285-V444 HydrophobicContact CB-CG2 4.4Å; P285-V444 HydrophobicContact CG-CB 4.09Å; P285-V444 HydrophobicContact CG-CG2 4.04Å; M292-V444 HydrophobicContact CG-CG2 4.24Å; M292-V444 HydrophobicContact SD-CG2 3.93Å; L319-V444 HydrophobicContact CB-CG1 4.05Å; L319-V444 HydrophobicContact CD1-CG1 3.7Å; I320-V444 HydrophobicContact CG2-CG1 4.13Å; I320-V444 HydrophobicContact CG2-CG2 3.92Å; I420-V444 HydrophobicContact CD1-CB 4.46Å; I420-V444 HydrophobicContact CD1-CG1 4.07Å; A423-V444 WeakPolarHBondContact CB-O 3.29Å
445	S	98.1	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-104.9	-15.4	-167.8	54.5	0	0	0	0	115.2	Y350 C483	Y350-S445 WeakPolarHBondContact OH-CB 3.5Å; Y350-S445 PolarHBondContact OH-OG 2.98Å; S445-C483 VanDerWaalsContact O-CB 3.31Å; S445-C483 WeakPolarHBondContact O-CB 3.46Å; S445-C483 PolarHBondContact O-N 3.31Å; S445-C483 PolarHBondContact O-SG 3.33Å
446	V	98.7	Very high	97.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.1	-176.7	176.9	0	0	0	0	110.5	L315 P442 H480 L481 C482	L315-V446 HydrophobicContact CD2-CG2 3.64Å; P442-V446 WeakPolarHBondContact CB-O 3.35Å; V446-H480 HydrophobicContact CG1-CB 3.97Å; V446-L481 WeakPolarHBondContact CA-O 3.47Å; V446-C482 HydrophobicContact CG2-CB 3.88Å
447	V	98.8	Very high	97.6	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	109.9	173.6	-176.6	0	0	0	0	108.8	A423 I426 R427 V438 H480 L481	A423-V447 HydrophobicContact CB-CG2 4.48Å; I426-V447 HydrophobicContact CG2-CG1 4.48Å; I426-V447 HydrophobicContact CG2-CG2 4.48Å; R427-V447 HydrophobicContact CB-CG1 4.27Å; R427-V447 HydrophobicContact CB-CG2 4.13Å; V438-V447 HydrophobicContact CG1-CG1 4.06Å; V438-V447 HydrophobicContact CG2-CG1 4.03Å; V447-H480 VanDerWaalsContact O-CA 3.29Å; V447-H480 WeakPolarHBondContact O-CA 3.42Å; V447-H480 WeakPolarHBondContact O-CB 3.41Å; V447-L481 PolarHBondContact N-O 2.71Å; V447-L481 PolarHBondContact O-N 3.29Å
448	A	98.6	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.9	174.9	0	0	0	0	0	111.4	H289 V438 F439 L473 I479 H480	H289-A448 HydrophobicContact CB-CB 4.31Å; V438-A448 VanDerWaalsContact CA-O 3.32Å; V438-A448 WeakPolarHBondContact CA-O 3.38Å; V438-A448 WeakPolarHBondContact CG1-O 3.24Å; F439-A448 HydrophobicContact CB-CB 4.25Å; F439-A448 HydrophobicContact CD2-CB 4.2Å; F439-A448 PolarHBondContact N-O 3.12Å; F439-A448 VanDerWaalsContact N-O 3.09Å; A448-L473 HydrophobicContact CB-CD1 4.29Å; A448-I479 CarbonylContact C-O 3.02Å; A448-I479 WeakPolarHBondContact CA-O 3.41Å; A448-H480 HydrophobicContact CB-CB 3.95Å
449	I	98.6	Very high	97.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.6	-173.6	-47.1	166.9	0	0	0	108.7	I430 V436 F437 I456 S478 I479 F496	I430-I449 HydrophobicContact CD1-CD1 3.59Å; I430-I449 HydrophobicContact CD1-CG1 4.04Å; I430-I449 HydrophobicContact CG2-CG1 4.35Å; I430-I449 HydrophobicContact CG2-CG2 4.13Å; V436-I449 HydrophobicContact CB-CG2 3.94Å; V436-I449 HydrophobicContact CG1-CG2 4.22Å; F437-I449 WeakPolarHBondContact O-CA 3.46Å; I449-I456 HydrophobicContact CG2-CD1 4.22Å; I449-I456 WeakPolarHBondContact O-CG1 3.27Å; I449-S478 WeakPolarHBondContact O-CA 3.34Å; I449-S478 PolarHBondContact O-OG 3.01Å; I449-I479 HydrophobicContact CB-CG1 4.11Å; I449-I479 HydrophobicContact CD1-CG1 4.5Å; I449-I479 PolarHBondContact N-O 3.35Å; I449-I479 PolarHBondContact O-N 2.85Å; I449-I479 VanDerWaalsContact O-N 3.08Å; I449-F496 HydrophobicContact CD1-CZ 4.26Å
450	G	98.2	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	174.9	172.9	0	0	0	0	0	112.3	V436 F437	V436-G450 CarbonylContact C-O 2.94Å; V436-G450 VanDerWaalsContact CA-O 3.25Å; V436-G450 WeakPolarHBondContact CA-O 3.5Å; V436-G450 WeakPolarHBondContact CB-O 3.34Å; F437-G450 VanDerWaalsContact CE1-C 3.43Å; F437-G450 PolarHBondContact N-O 3.21Å; F437-G450 PolarHBondContact O-N 3.06Å
451	S	98.1	Very high	97.2	Very high	22 Å²	22	27 Å²	27	15%	0.154	14%	0.137	C	C	.	.			trans	-145.1	142.6	171.4	-178.2	0	0	0	0	109.9	G435 D453 F454	G435-S451 VanDerWaalsContact O-CB 3.26Å; G435-S451 WeakPolarHBondContact O-CB 3.35Å; G435-S451 PolarHBondContact O-OG 2.59Å; S451-D453 PolarHBondContact OG-N 3.42Å; S451-D453 VanDerWaalsContact OG-N 3.1Å; S451-F454 WeakPolarHBondContact CB-O 3.21Å; S451-F454 VanDerWaalsContact OG-CD1 3.23Å; S451-F454 WeakPolarHBondContact OG-CD1 3.37Å; S451-F454 WeakPolarHBondContact OG-CE1 3.15Å; S451-F454 PolarHBondContact OG-N 3.23Å; S451-F454 VanDerWaalsContact OG-N 3.13Å; S451-F454 PolarHBondContact OG-O 3.18Å
452	E	96.6	Very high	97.2	Very high	176 Å²	176	24.1 Å²	24.1	82%	0.822	12%	0.124	S	C	*	.	S	Bend	trans	-101.9	-11.9	167.3	-61.5	-177.3	167.8	0	0	111.5	F437	F437-E452 HydrophobicContact CD1-CG 4.36Å; F437-E452 HydrophobicContact CE1-CG 3.82Å
453	D	97.6	Very high	97.1	Very high	88 Å²	88	23.9 Å²	23.9	47%	0.471	12%	0.123	S	C	.	.	S	Bend	trans	-94.3	-26.2	-174	-68.3	-41.2	0	0	0	112.5	G435 S451 M508 P511	G435-D453 VanDerWaalsContact CA-OD2 3.26Å; G435-D453 WeakPolarHBondContact CA-OD2 3.21Å; S451-D453 PolarHBondContact OG-N 3.42Å; S451-D453 VanDerWaalsContact OG-N 3.1Å; D453-M508 HydrophobicContact CB-CE 3.94Å; D453-M508 HydrophobicContact CB-SD 3.85Å; D453-P511 WeakPolarHBondContact O-CB 3.22Å
454	F	97.1	Very high	97	Very high	15 Å²	15	25.2 Å²	25.2	7%	0.066	13%	0.134	C	C	.	.	S	Bend	trans	-151.7	167.5	179.4	66.5	-93.4	0	0	0	112	G435 V436 S451 I456 L459 V504 I507 M508 P511	G435-F454 WeakPolarHBondContact O-CE1 3.25Å; V436-F454 HydrophobicContact CG1-CE1 3.95Å; V436-F454 HydrophobicContact CG1-CZ 3.7Å; S451-F454 WeakPolarHBondContact CB-O 3.21Å; S451-F454 VanDerWaalsContact OG-CD1 3.23Å; S451-F454 WeakPolarHBondContact OG-CD1 3.37Å; S451-F454 WeakPolarHBondContact OG-CE1 3.15Å; S451-F454 PolarHBondContact OG-N 3.23Å; S451-F454 VanDerWaalsContact OG-N 3.13Å; S451-F454 PolarHBondContact OG-O 3.18Å; F454-I456 HydrophobicContact CE2-CD1 4.41Å; F454-I456 PolarHBondContact O-N 3.39Å; F454-L459 HydrophobicContact CE2-CB 3.99Å; F454-L459 HydrophobicContact CZ-CB 4.35Å; F454-V504 HydrophobicContact CE1-CG1 4.2Å; F454-V504 HydrophobicContact CZ-CG2 4.19Å; F454-I507 HydrophobicContact CB-CG2 3.86Å; F454-I507 HydrophobicContact CD1-CG2 3.81Å; F454-I507 HydrophobicContact CD2-CG2 3.49Å; F454-I507 VanDerWaalsContact CD2-CG2 3.49Å; F454-I507 HydrophobicContact CE1-CG2 4.21Å; F454-I507 HydrophobicContact CE2-CD1 4.17Å; F454-I507 HydrophobicContact CE2-CG2 3.94Å; F454-I507 HydrophobicContact CG-CG2 3.43Å; F454-I507 VanDerWaalsContact CG-CG2 3.43Å; F454-I507 HydrophobicContact CZ-CG2 4.28Å; F454-M508 HydrophobicContact CD1-SD 3.74Å; F454-M508 HydrophobicContact CE1-SD 4.26Å; F454-P511 HydrophobicContact CB-CB 4.29Å
455	D	96.2	Very high	96.8	Very high	55 Å²	55	29.6 Å²	29.6	29%	0.294	17%	0.165	S	C	.	.			trans	-69.6	111.3	173.4	-178.3	-0.4	0	0	0	111.5	F457 R458 T515	D455-F457 PolarHBondContact O-N 2.86Å; D455-F457 WeakPolarHBondContact OD1-CD2 3.19Å; D455-F457 PolarHBondContact OD1-N 3.03Å; D455-R458 WeakPolarHBondContact O-CB 3.37Å; D455-R458 PolarHBondContact O-N 3.22Å; D455-T515 WeakPolarHBondContact CB-OG1 3.35Å; D455-T515 WeakPolarHBondContact OD2-CB 3.25Å; D455-T515 PolarHBondContact OD2-OG1 3.31Å
456	I	97.4	Very high	96.6	Very high	3 Å²	3	34 Å²	34	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-54.4	-24.7	-177.6	-165.2	61.3	0	0	0	113.9	V436 I449 F454 R458 L459 S460 I479	V436-I456 HydrophobicContact CG1-CD1 4.46Å; I449-I456 HydrophobicContact CG2-CD1 4.22Å; I449-I456 WeakPolarHBondContact O-CG1 3.27Å; F454-I456 HydrophobicContact CE2-CD1 4.41Å; F454-I456 PolarHBondContact O-N 3.39Å; I456-R458 PolarHBondContact O-N 3.31Å; I456-L459 HydrophobicContact CD1-CB 4.32Å; I456-L459 HydrophobicContact CD1-CD2 3.97Å; I456-L459 WeakPolarHBondContact O-CB 3.2Å; I456-L459 PolarHBondContact O-N 2.98Å; I456-L459 VanDerWaalsContact O-N 3.07Å; I456-S460 PolarHBondContact O-N 3.25Å; I456-I479 HydrophobicContact CD1-CD1 4.45Å; I456-I479 HydrophobicContact CD1-CG1 4.45Å; I456-I479 HydrophobicContact CG1-CD1 4.41Å; I456-I479 HydrophobicContact CG1-CG1 4.13Å
457	F	96.3	Very high	96.4	Very high	1 Å²	1	36 Å²	36	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-68.8	-20.3	177.4	-57.3	-46.9	0	0	0	113.3	D455 L459 S460 N461 T472 L473 S477 T515 Q526	D455-F457 PolarHBondContact O-N 2.86Å; D455-F457 WeakPolarHBondContact OD1-CD2 3.19Å; D455-F457 PolarHBondContact OD1-N 3.03Å; F457-L459 VanDerWaalsContact C-N 3.33Å; F457-S460 VanDerWaalsContact O-CB 3.31Å; F457-S460 WeakPolarHBondContact O-CB 3.21Å; F457-S460 PolarHBondContact O-N 2.9Å; F457-N461 PolarHBondContact O-N 3.35Å; F457-T472 HydrophobicContact CD1-CG2 3.47Å; F457-T472 VanDerWaalsContact CD1-CG2 3.47Å; F457-T472 HydrophobicContact CE1-CG2 3.23Å; F457-T472 HydrophobicContact CZ-CG2 4.21Å; F457-L473 WeakPolarHBondContact CZ-O 3.48Å; F457-S477 WeakPolarHBondContact CE2-OG 3.25Å; F457-S477 WeakPolarHBondContact CZ-OG 3.49Å; F457-T515 HydrophobicContact CB-CG2 3.94Å; F457-Q526 VanDerWaalsContact CZ-NE2 3.26Å
458	R	96.5	Very high	96.3	Very high	23 Å²	23	36 Å²	36	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-40.2	168.4	-67.5	179	61.6	-155.4	-3.2	111.6	D455 I456 S460 N461 A462 I507 N510 P511 E513 T515	D455-R458 WeakPolarHBondContact O-CB 3.37Å; D455-R458 PolarHBondContact O-N 3.22Å; I456-R458 PolarHBondContact O-N 3.31Å; R458-S460 VanDerWaalsContact C-N 3.33Å; R458-N461 PolarHBondContact O-N 2.72Å; R458-A462 WeakPolarHBondContact O-CB 2.83Å; R458-A462 PolarHBondContact O-N 3.16Å; R458-I507 HydrophobicContact CB-CD1 4.02Å; R458-I507 HydrophobicContact CB-CG1 4.47Å; R458-N510 PolarHBondContact NH1-O 3.27Å; R458-N510 PolarHBondContact NH2-O 3.47Å; R458-P511 PolarHBondContact NH1-O 2.98Å; R458-E513 WeakPolarHBondContact CD-O 3.31Å; R458-E513 IonicContact CZ-OE2 3.55Å; R458-E513 IonicContact NH2-OE2 2.7Å; R458-E513 PolarHBondContact NH2-OE2 3.37Å; R458-T515 HydrophobicContact CG-CG2 4.13Å; R458-T515 WeakPolarHBondContact CG-OG1 3.4Å
459	L	97.3	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-39.5	174.5	-179.3	61.5	0	0	0	110.8	V436 F454 I456 F457 A462 L463 I479 V500 Q503 V504 I507	V436-L459 HydrophobicContact CG1-CD2 4.25Å; F454-L459 HydrophobicContact CE2-CB 3.99Å; F454-L459 HydrophobicContact CZ-CB 4.35Å; I456-L459 HydrophobicContact CD1-CB 4.32Å; I456-L459 HydrophobicContact CD1-CD2 3.97Å; I456-L459 WeakPolarHBondContact O-CB 3.2Å; I456-L459 PolarHBondContact O-N 2.98Å; I456-L459 VanDerWaalsContact O-N 3.07Å; F457-L459 VanDerWaalsContact C-N 3.33Å; L459-A462 PolarHBondContact O-N 3.23Å; L459-L463 HydrophobicContact CD1-CD1 3.92Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CG-CD1 3.84Å; L459-L463 HydrophobicContact CG-CG 4.36Å; L459-L463 WeakPolarHBondContact O-CB 3.3Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.31Å; L459-I479 HydrophobicContact CB-CD1 4.42Å; L459-I479 HydrophobicContact CD2-CD1 4.03Å; L459-I479 HydrophobicContact CG-CD1 4.06Å; L459-V500 HydrophobicContact CD2-CG1 4.38Å; L459-Q503 HydrophobicContact CD1-CB 3.74Å; L459-V504 HydrophobicContact CD1-CG2 4.07Å; L459-V504 HydrophobicContact CD2-CG2 4.04Å; L459-I507 HydrophobicContact CB-CD1 4.11Å; L459-I507 HydrophobicContact CD1-CD1 4.42Å
460	S	95.8	Very high	96	Very high	7 Å²	7	40 Å²	40	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-54.1	173	-158.8	0	0	0	0	111.7	I456 F457 R458 A462 L463 T464	I456-S460 PolarHBondContact O-N 3.25Å; F457-S460 VanDerWaalsContact O-CB 3.31Å; F457-S460 WeakPolarHBondContact O-CB 3.21Å; F457-S460 PolarHBondContact O-N 2.9Å; R458-S460 VanDerWaalsContact C-N 3.33Å; S460-A462 VanDerWaalsContact C-N 3.33Å; S460-A462 PolarHBondContact O-N 3.45Å; S460-L463 PolarHBondContact O-N 3.42Å; S460-T464 PolarHBondContact O-N 2.84Å; S460-T464 PolarHBondContact O-OG1 3.16Å; S460-T464 VanDerWaalsContact O-OG1 3.07Å
461	N	94.3	Very high	96	Very high	39 Å²	39	42.5 Å²	42.5	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-44.2	-180	-71.5	-9.8	0	0	0	111.8	F457 R458 L463 T464 S465 T516 G519	F457-N461 PolarHBondContact O-N 3.35Å; R458-N461 PolarHBondContact O-N 2.72Å; N461-L463 PolarHBondContact O-N 2.68Å; N461-T464 PolarHBondContact O-N 2.88Å; N461-S465 PolarHBondContact O-N 2.94Å; N461-T516 PolarHBondContact ND2-O 3.29Å; N461-G519 PolarHBondContact OD1-N 3.27Å; N461-G519 VanDerWaalsContact OD1-N 3.12Å
462	A	95.8	Very high	95.8	Very high	16 Å²	16	43.2 Å²	43.2	13%	0.132	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-42.9	179.5	0	0	0	0	0	111.5	R458 L459 S460 S465 K466 Q503	R458-A462 WeakPolarHBondContact O-CB 2.83Å; R458-A462 PolarHBondContact O-N 3.16Å; L459-A462 PolarHBondContact O-N 3.23Å; S460-A462 VanDerWaalsContact C-N 3.33Å; S460-A462 PolarHBondContact O-N 3.45Å; A462-S465 PolarHBondContact O-N 2.98Å; A462-S465 PolarHBondContact O-OG 2.89Å; A462-K466 PolarHBondContact O-N 3.35Å; A462-Q503 HydrophobicContact CB-CB 4.08Å; A462-Q503 HydrophobicContact CB-CG 3.85Å
463	L	96.1	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-35.2	175.8	-67.2	171.4	0	0	0	112.2	L459 S460 N461 S465 K466 G467 W468 L470 I479 F496 E499 V500 Q503	L459-L463 HydrophobicContact CD1-CD1 3.92Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CG-CD1 3.84Å; L459-L463 HydrophobicContact CG-CG 4.36Å; L459-L463 WeakPolarHBondContact O-CB 3.3Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.31Å; S460-L463 PolarHBondContact O-N 3.42Å; N461-L463 PolarHBondContact O-N 2.68Å; L463-S465 VanDerWaalsContact C-N 3.33Å; L463-S465 PolarHBondContact O-N 3.26Å; L463-K466 CarbonylContact O-C 3.48Å; L463-K466 WeakPolarHBondContact O-CA 3.36Å; L463-K466 WeakPolarHBondContact O-CB 3.32Å; L463-K466 PolarHBondContact O-N 3.36Å; L463-G467 PolarHBondContact O-N 3.44Å; L463-W468 HydrophobicContact CB-CB 4.03Å; L463-W468 HydrophobicContact CB-CG 4.37Å; L463-W468 WeakPolarHBondContact O-CB 3.45Å; L463-W468 PolarHBondContact O-N 3.5Å; L463-L470 HydrophobicContact CB-CD1 4.42Å; L463-L470 HydrophobicContact CD1-CD1 3.62Å; L463-I479 HydrophobicContact CD1-CD1 4.41Å; L463-F496 HydrophobicContact CD1-CE2 4.3Å; L463-E499 HydrophobicContact CD2-CB 4.16Å; L463-V500 HydrophobicContact CD1-CG2 3.93Å; L463-V500 HydrophobicContact CD2-CG2 4.17Å; L463-Q503 HydrophobicContact CD2-CG 4.43Å
464	T	94.3	Very high	95.6	Very high	77 Å²	77	36 Å²	36	47%	0.472	21%	0.207	S	C	.	.	H	α-helix	trans	-60.9	-40.1	172.3	-62.2	0	0	0	0	112.4	S460 N461 K466 G467 W468	S460-T464 PolarHBondContact O-N 2.84Å; S460-T464 PolarHBondContact O-OG1 3.16Å; S460-T464 VanDerWaalsContact O-OG1 3.07Å; N461-T464 PolarHBondContact O-N 2.88Å; T464-K466 PolarHBondContact O-N 3.17Å; T464-K466 VanDerWaalsContact O-N 3.16Å; T464-G467 WeakPolarHBondContact O-CA 3.47Å; T464-G467 PolarHBondContact O-N 3.3Å; T464-W468 VanDerWaalsContact CA-O 3.24Å; T464-W468 WeakPolarHBondContact CA-O 3.45Å; T464-W468 PolarHBondContact OG1-O 2.95Å
465	S	92.7	Very high	95.3	Very high	94 Å²	94	41.2 Å²	41.2	66%	0.657	23%	0.23	S	C	*	.	H	α-helix	trans	-64.3	-16.4	172.1	77.3	0	0	0	0	114.1	N461 A462 L463	N461-S465 PolarHBondContact O-N 2.94Å; A462-S465 PolarHBondContact O-N 2.98Å; A462-S465 PolarHBondContact O-OG 2.89Å; L463-S465 VanDerWaalsContact C-N 3.33Å; L463-S465 PolarHBondContact O-N 3.26Å
466	K	94	Very high	95.2	Very high	92 Å²	92	40.9 Å²	40.9	40%	0.4	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.9	172	-60.8	-65.1	-178.2	-177	0	113.2	A462 L463 T464 R495 E499	A462-K466 PolarHBondContact O-N 3.35Å; L463-K466 CarbonylContact O-C 3.48Å; L463-K466 WeakPolarHBondContact O-CA 3.36Å; L463-K466 WeakPolarHBondContact O-CB 3.32Å; L463-K466 PolarHBondContact O-N 3.36Å; T464-K466 PolarHBondContact O-N 3.17Å; T464-K466 VanDerWaalsContact O-N 3.16Å; K466-R495 PolarHBondContact O-NH2 2.88Å; K466-E499 WeakPolarHBondContact CB-OE2 3.28Å
467	G	93.9	Very high	95.2	Very high	43 Å²	43	42.8 Å²	42.8	44%	0.443	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	7.1	179.2	0	0	0	0	0	114.9	C140 L463 T464	C140-G467 VanDerWaalsContact CB-O 3.28Å; C140-G467 WeakPolarHBondContact CB-O 3.14Å; L463-G467 PolarHBondContact O-N 3.44Å; T464-G467 WeakPolarHBondContact O-CA 3.47Å; T464-G467 PolarHBondContact O-N 3.3Å
468	W	96.2	Very high	95.2	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.011	24%	0.244	C	C	.	.			trans	-81.5	134.2	176.7	-65.6	91.3	0	0	0	112.4	G139 C140 L463 T464 L470 V492 R495 F496 E499	G139-W468 VanDerWaalsContact O-CZ3 3.3Å; G139-W468 WeakPolarHBondContact O-CZ3 3.44Å; C140-W468 HydrophobicContact CB-CD2 4.5Å; C140-W468 HydrophobicContact CB-CE3 4.31Å; C140-W468 CarbonylContact O-C 3.51Å; C140-W468 WeakPolarHBondContact O-CA 3.33Å; L463-W468 HydrophobicContact CB-CB 4.03Å; L463-W468 HydrophobicContact CB-CG 4.37Å; L463-W468 WeakPolarHBondContact O-CB 3.45Å; L463-W468 PolarHBondContact O-N 3.5Å; T464-W468 VanDerWaalsContact CA-O 3.24Å; T464-W468 WeakPolarHBondContact CA-O 3.45Å; T464-W468 PolarHBondContact OG1-O 2.95Å; W468-L470 HydrophobicContact CB-CD2 4.5Å; W468-L470 HydrophobicContact CB-CG 4.33Å; W468-L470 HydrophobicContact CE3-CD2 4.49Å; W468-V492 HydrophobicContact CH2-CG1 3.99Å; W468-R495 HydrophobicContact CZ2-CG 4.48Å; W468-F496 AromaticContact CD2-CD2 3.72Å; W468-F496 HydrophobicContact CD2-CD2 3.72Å; W468-F496 HydrophobicContact CD2-CE2 4.24Å; W468-F496 AromaticContact CE2-CD2 3.72Å; W468-F496 AromaticContact CE3-CD2 3.68Å; W468-F496 HydrophobicContact CE3-CD2 3.68Å; W468-F496 HydrophobicContact CE3-CE2 4.14Å; W468-F496 HydrophobicContact CH2-CB 3.51Å; W468-F496 AromaticContact CH2-CD2 3.75Å; W468-F496 HydrophobicContact CH2-CD2 3.75Å; W468-F496 HydrophobicContact CH2-CG 4Å; W468-F496 HydrophobicContact CZ2-CB 3.6Å; W468-F496 AromaticContact CZ2-CD2 3.76Å; W468-F496 HydrophobicContact CZ2-CD2 3.76Å; W468-F496 HydrophobicContact CZ2-CG 4.17Å; W468-F496 HydrophobicContact CZ3-CB 4.19Å; W468-F496 AromaticContact CZ3-CD2 3.69Å; W468-F496 HydrophobicContact CZ3-CD2 3.69Å; W468-F496 HydrophobicContact CZ3-CE2 4.47Å; W468-F496 HydrophobicContact CZ3-CG 4.21Å; W468-E499 PolarHBondContact NE1-OE2 2.51Å
469	N	95.6	Very high	95.3	Very high	76 Å²	76	41.6 Å²	41.6	41%	0.406	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-111.5	94	171.5	-162.1	-60.2	0	0	0	109	V134 C140 V141 S142	V134-N469 HydrophobicContact CG1-CB 4.23Å; C140-N469 PolarHBondContact O-N 3.27Å; V141-N469 HydrophobicContact CB-CB 4.49Å; V141-N469 HydrophobicContact CG1-CB 4.33Å; V141-N469 HydrophobicContact CG2-CB 4.08Å; S142-N469 WeakPolarHBondContact CB-O 3.23Å; S142-N469 PolarHBondContact N-O 3.14Å
470	L	96.5	Very high	95.3	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.058	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-97	158.3	179.1	-57.5	-175.3	0	0	0	110.4	L463 W468 I479 L481 F496	L463-L470 HydrophobicContact CB-CD1 4.42Å; L463-L470 HydrophobicContact CD1-CD1 3.62Å; W468-L470 HydrophobicContact CB-CD2 4.5Å; W468-L470 HydrophobicContact CB-CG 4.33Å; W468-L470 HydrophobicContact CE3-CD2 4.49Å; L470-I479 HydrophobicContact CD1-CD1 3.88Å; L470-L481 HydrophobicContact CD2-CB 4.26Å; L470-L481 HydrophobicContact CD2-CD1 3.66Å; L470-F496 HydrophobicContact CD1-CE2 4.12Å; L470-F496 HydrophobicContact CD1-CZ 4.35Å; L470-F496 HydrophobicContact CD2-CE2 4.05Å; L470-F496 HydrophobicContact CD2-CZ 4.44Å
471	N	97.1	Very high	95.5	Very high	51 Å²	51	41.3 Å²	41.3	27%	0.273	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.3	173.6	-65.6	-109.9	0	0	0	109.1	S142 I479 H480	S142-N471 VanDerWaalsContact CB-ND2 3.26Å; S142-N471 WeakPolarHBondContact CB-ND2 3.17Å; S142-N471 PolarHBondContact O-ND2 2.84Å; S142-N471 PolarHBondContact OG-ND2 3.28Å; N471-I479 CarbonylContact O-C 3.59Å; N471-I479 VanDerWaalsContact O-CA 3.28Å; N471-I479 WeakPolarHBondContact O-CA 3.46Å; N471-H480 VanDerWaalsContact CB-CD2 3.46Å; N471-H480 WeakPolarHBondContact CB-CD2 3.26Å; N471-H480 WeakPolarHBondContact CB-NE2 2.96Å; N471-H480 PolarHBondContact N-O 2.99Å; N471-H480 PolarHBondContact O-N 3.05Å
472	T	95.2	Very high	95.7	Very high	37 Å²	37	39.5 Å²	39.5	23%	0.227	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.6	174.4	-50.4	0	0	0	0	110	F457 Y522	F457-T472 HydrophobicContact CD1-CG2 3.47Å; F457-T472 VanDerWaalsContact CD1-CG2 3.47Å; F457-T472 HydrophobicContact CE1-CG2 3.23Å; F457-T472 HydrophobicContact CZ-CG2 4.21Å; T472-Y522 HydrophobicContact CG2-CD1 4.03Å; T472-Y522 HydrophobicContact CG2-CD2 3.74Å; T472-Y522 HydrophobicContact CG2-CE2 4.29Å; T472-Y522 HydrophobicContact CG2-CG 3.61Å
473	L	95.9	Very high	95.8	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.089	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	165.2	-175.5	-49.2	177.6	0	0	0	111.1	P288 A448 F457 S478 H480	P288-L473 HydrophobicContact CB-CD1 4.38Å; P288-L473 WeakPolarHBondContact O-CD1 3.39Å; A448-L473 HydrophobicContact CB-CD1 4.29Å; F457-L473 WeakPolarHBondContact CZ-O 3.48Å; L473-S478 WeakPolarHBondContact CA-O 3.39Å; L473-S478 WeakPolarHBondContact CB-O 3.46Å; L473-S478 PolarHBondContact N-O 3.44Å; L473-H480 HydrophobicContact CD1-CB 4.06Å
474	Q	93.6	Very high	95.9	Very high	95 Å²	95	38.8 Å²	38.8	44%	0.444	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.4	152.7	-179.3	52.9	-178	-26.7	0	0	111.5	P476 Q526	Q474-P476 CarbonylContact C-O 3.52Å; Q474-P476 WeakPolarHBondContact CA-O 3.36Å; Q474-Q526 HydrophobicContact CB-CG 3.45Å; Q474-Q526 VanDerWaalsContact CB-CG 3.45Å; Q474-Q526 VanDerWaalsContact CB-NE2 3.31Å; Q474-Q526 HydrophobicContact CG-CG 4.5Å
475	F	91.8	Very high	96.1	Very high	126 Å²	126	36 Å²	36	55%	0.553	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	61.9	179.2	-48	-66.5	0	0	0	114	Q526	F475-Q526 HydrophobicContact CE1-CB 3.98Å; F475-Q526 HydrophobicContact CE1-CG 4.13Å; F475-Q526 HydrophobicContact CE2-CG 4.19Å; F475-Q526 HydrophobicContact CZ-CB 3.92Å; F475-Q526 HydrophobicContact CZ-CG 3.87Å
476	P	94	Very high	96.3	Very high	47 Å²	47	31.9 Å²	31.9	31%	0.305	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.8	163.7	10	33.6	-34	0	0	0	114.2	M262 F439 Q474 S478	M262-P476 HydrophobicContact CE-CG 4.41Å; F439-P476 HydrophobicContact CD1-CG 4.21Å; F439-P476 HydrophobicContact CE1-CB 4.23Å; F439-P476 HydrophobicContact CE1-CG 3.33Å; F439-P476 HydrophobicContact CE2-CG 4.49Å; F439-P476 HydrophobicContact CZ-CB 4.1Å; F439-P476 HydrophobicContact CZ-CG 3.49Å; F439-P476 VanDerWaalsContact CZ-CG 3.49Å; Q474-P476 CarbonylContact C-O 3.52Å; Q474-P476 WeakPolarHBondContact CA-O 3.36Å; P476-S478 PolarHBondContact O-N 2.84Å
477	S	95.6	Very high	96.5	Very high	43 Å²	43	27.7 Å²	27.7	30%	0.301	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	123.1	171.7	-66.2	0	0	0	0	110.4	F457 Q526	F457-S477 WeakPolarHBondContact CE2-OG 3.25Å; F457-S477 WeakPolarHBondContact CZ-OG 3.49Å; S477-Q526 PolarHBondContact OG-NE2 3.43Å; S477-Q526 PolarHBondContact OG-OE1 3.11Å
478	S	97.1	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	165.1	-178.1	-178.5	0	0	0	0	109.2	F439 I449 L473 P476	F439-S478 WeakPolarHBondContact CD2-OG 3.2Å; F439-S478 VanDerWaalsContact CE2-CB 3.47Å; F439-S478 WeakPolarHBondContact CE2-OG 3.41Å; I449-S478 WeakPolarHBondContact O-CA 3.34Å; I449-S478 PolarHBondContact O-OG 3.01Å; L473-S478 WeakPolarHBondContact CA-O 3.39Å; L473-S478 WeakPolarHBondContact CB-O 3.46Å; L473-S478 PolarHBondContact N-O 3.44Å; P476-S478 PolarHBondContact O-N 2.84Å
479	I	98.2	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158.4	160.8	59	-176.2	0	0	0	108.9	A448 I449 I456 L459 L463 L470 N471	A448-I479 CarbonylContact C-O 3.02Å; A448-I479 WeakPolarHBondContact CA-O 3.41Å; I449-I479 HydrophobicContact CB-CG1 4.11Å; I449-I479 HydrophobicContact CD1-CG1 4.5Å; I449-I479 PolarHBondContact N-O 3.35Å; I449-I479 PolarHBondContact O-N 2.85Å; I449-I479 VanDerWaalsContact O-N 3.08Å; I456-I479 HydrophobicContact CD1-CD1 4.45Å; I456-I479 HydrophobicContact CD1-CG1 4.45Å; I456-I479 HydrophobicContact CG1-CD1 4.41Å; I456-I479 HydrophobicContact CG1-CG1 4.13Å; L459-I479 HydrophobicContact CB-CD1 4.42Å; L459-I479 HydrophobicContact CD2-CD1 4.03Å; L459-I479 HydrophobicContact CG-CD1 4.06Å; L463-I479 HydrophobicContact CD1-CD1 4.41Å; L470-I479 HydrophobicContact CD1-CD1 3.88Å; N471-I479 CarbonylContact O-C 3.59Å; N471-I479 VanDerWaalsContact O-CA 3.28Å; N471-I479 WeakPolarHBondContact O-CA 3.46Å
480	H	98.5	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.9	168.3	76.7	-155.6	0	0	0	114.1	S142 F287 P288 V446 V447 A448 N471 L473	S142-H480 PolarHBondContact OG-O 3.37Å; F287-H480 AromaticContact CD1-CE1 3.92Å; F287-H480 AromaticContact CE1-CE1 3.51Å; F287-H480 AromaticContact CE2-CE1 3.7Å; F287-H480 AromaticContact CE2-NE2 3.77Å; F287-H480 AromaticContact CZ-CE1 3.4Å; F287-H480 WeakPolarHBondContact CZ-CE1 3.46Å; F287-H480 AromaticContact CZ-NE2 3.5Å; F287-H480 WeakPolarHBondContact CZ-NE2 3.48Å; F287-H480 PolarHBondContact O-CE1 3.23Å; F287-H480 PolarHBondContact O-ND1 2.73Å; P288-H480 PolarHBondContact O-ND1 2.97Å; V446-H480 HydrophobicContact CG1-CB 3.97Å; V447-H480 VanDerWaalsContact O-CA 3.29Å; V447-H480 WeakPolarHBondContact O-CA 3.42Å; V447-H480 WeakPolarHBondContact O-CB 3.41Å; A448-H480 HydrophobicContact CB-CB 3.95Å; N471-H480 VanDerWaalsContact CB-CD2 3.46Å; N471-H480 WeakPolarHBondContact CB-CD2 3.26Å; N471-H480 WeakPolarHBondContact CB-NE2 2.96Å; N471-H480 PolarHBondContact N-O 2.99Å; N471-H480 PolarHBondContact O-N 3.05Å; L473-H480 HydrophobicContact CD1-CB 4.06Å
481	L	98.6	Very high	96.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.4	165.1	-177.2	67.9	0	0	0	109.5	I426 V446 V447 L470 H487 F496	I426-L481 HydrophobicContact CD1-CD2 3.82Å; V446-L481 WeakPolarHBondContact CA-O 3.47Å; V447-L481 PolarHBondContact N-O 2.71Å; V447-L481 PolarHBondContact O-N 3.29Å; L470-L481 HydrophobicContact CD2-CB 4.26Å; L470-L481 HydrophobicContact CD2-CD1 3.66Å; L481-H487 WeakPolarHBondContact CD1-NE2 3.15Å; L481-F496 HydrophobicContact CB-CE1 4.39Å; L481-F496 HydrophobicContact CB-CZ 4.18Å; L481-F496 HydrophobicContact CD2-CD1 3.74Å; L481-F496 HydrophobicContact CD2-CD2 4.39Å; L481-F496 HydrophobicContact CD2-CE1 3.59Å; L481-F496 HydrophobicContact CD2-CE2 4.28Å; L481-F496 HydrophobicContact CD2-CG 4.15Å; L481-F496 HydrophobicContact CD2-CZ 3.88Å
482	C	98.6	Very high	96.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	103	169.9	-179.7	0	0	0	0	109	S142 G143 Y350 V446	S142-C482 PolarHBondContact OG-N 2.92Å; G143-C482 PolarHBondContact N-O 3.26Å; Y350-C482 PolarHBondContact OH-SG 2.75Å; V446-C482 HydrophobicContact CG2-CB 3.88Å
483	C	98.5	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.187	C	C	.	.			trans	-69.5	132.9	-177.2	-61.7	0	0	0	0	111	Y350 I419 A423 S445	Y350-C483 WeakPolarHBondContact CE1-O 3.41Å; Y350-C483 PolarHBondContact OH-O 3.24Å; I419-C483 HydrophobicContact CG2-CB 4.28Å; A423-C483 HydrophobicContact CB-CB 4.27Å; S445-C483 VanDerWaalsContact O-CB 3.31Å; S445-C483 WeakPolarHBondContact O-CB 3.46Å; S445-C483 PolarHBondContact O-N 3.31Å; S445-C483 PolarHBondContact O-SG 3.33Å
484	T	98.4	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.			trans	-124.5	179.7	174.4	68.7	0	0	0	0	109.8	V145 Y146 L486 H487	V145-T484 WeakPolarHBondContact O-CB 3.13Å; V145-T484 WeakPolarHBondContact O-CG2 3.38Å; V145-T484 PolarHBondContact O-OG1 2.9Å; Y146-T484 HydrophobicContact CD1-CG2 3.94Å; Y146-T484 HydrophobicContact CE1-CG2 4.25Å; Y146-T484 HydrophobicContact CG-CG2 4.21Å; T484-L486 PolarHBondContact O-N 2.85Å; T484-H487 PolarHBondContact N-ND1 3.29Å; T484-H487 WeakPolarHBondContact O-CB 3.31Å; T484-H487 PolarHBondContact O-N 3.14Å; T484-H487 PolarHBondContact OG1-CE1 3Å; T484-H487 PolarHBondContact OG1-ND1 3.38Å
485	V	97.4	Very high	97.3	Very high	20 Å²	20	34.8 Å²	34.8	12%	0.121	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-55.9	-35.4	177.4	176.2	0	0	0	0	112.1	Y146 W147 Y352 I419 H487 T488	Y146-V485 WeakPolarHBondContact O-CG2 3.38Å; Y146-V485 PolarHBondContact O-N 3.35Å; W147-V485 HydrophobicContact CE3-CB 4.34Å; W147-V485 HydrophobicContact CE3-CG1 4.44Å; W147-V485 HydrophobicContact CE3-CG2 3.64Å; W147-V485 HydrophobicContact CZ3-CG2 3.77Å; Y352-V485 HydrophobicContact CE1-CG2 4.06Å; I419-V485 HydrophobicContact CD1-CG2 3.88Å; I419-V485 HydrophobicContact CG1-CG2 4.36Å; V485-H487 PolarHBondContact O-N 3Å; V485-T488 WeakPolarHBondContact O-CA 3.45Å; V485-T488 WeakPolarHBondContact O-CB 3.28Å; V485-T488 PolarHBondContact O-N 2.83Å; V485-T488 PolarHBondContact O-OG1 3.31Å
486	L	97.1	Very high	97.6	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-60.1	-31	178.9	-61.5	175.1	0	0	0	113.2	W136 V145 W147 T484 T488 H489	W136-L486 HydrophobicContact CE3-CD1 3.9Å; W136-L486 HydrophobicContact CZ3-CD1 4.34Å; W136-L486 WeakPolarHBondContact O-CD1 3.43Å; V145-L486 HydrophobicContact CB-CD1 3.95Å; V145-L486 HydrophobicContact CG1-CD1 3.97Å; W147-L486 VanDerWaalsContact O-CD2 3.29Å; W147-L486 WeakPolarHBondContact O-CD2 3.29Å; T484-L486 PolarHBondContact O-N 2.85Å; L486-T488 PolarHBondContact O-N 3.35Å; L486-H489 WeakPolarHBondContact O-CB 3.26Å; L486-H489 PolarHBondContact O-N 3.41Å
487	H	98.1	Very high	97.8	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.014	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-77.1	-15.3	178.1	-57.4	83.1	0	0	0	112.6	G139 V141 T422 L481 T484 V485 H489	G139-H487 PolarHBondContact O-CD2 3.1Å; G139-H487 VanDerWaalsContact O-CD2 3.27Å; G139-H487 PolarHBondContact O-NE2 3.25Å; V141-H487 PolarHBondContact O-CE1 3.47Å; V141-H487 PolarHBondContact O-NE2 3.36Å; T422-H487 HydrophobicContact CG2-CB 4.47Å; L481-H487 WeakPolarHBondContact CD1-NE2 3.15Å; T484-H487 PolarHBondContact N-ND1 3.29Å; T484-H487 WeakPolarHBondContact O-CB 3.31Å; T484-H487 PolarHBondContact O-N 3.14Å; T484-H487 PolarHBondContact OG1-CE1 3Å; T484-H487 PolarHBondContact OG1-ND1 3.38Å; V485-H487 PolarHBondContact O-N 3Å; H487-H489 VanDerWaalsContact C-N 3.29Å
488	T	97.5	Very high	98	Very high	35 Å²	35	31.4 Å²	31.4	22%	0.215	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-84.1	-6.4	177.7	78.3	0	0	0	0	112.5	K418 I419 V485 L486	K418-T488 HydrophobicContact CB-CG2 3.92Å; I419-T488 HydrophobicContact CG1-CG2 3.98Å; V485-T488 WeakPolarHBondContact O-CA 3.45Å; V485-T488 WeakPolarHBondContact O-CB 3.28Å; V485-T488 PolarHBondContact O-N 2.83Å; V485-T488 PolarHBondContact O-OG1 3.31Å; L486-T488 PolarHBondContact O-N 3.35Å
489	H	96.6	Very high	98	Very high	80 Å²	80	31.9 Å²	31.9	37%	0.37	17%	0.172	S	C	.	.	S	Bend	trans	-61.5	146.8	175.5	-68.2	179.9	0	0	0	111.1	L486 H487 G491 V492	L486-H489 WeakPolarHBondContact O-CB 3.26Å; L486-H489 PolarHBondContact O-N 3.41Å; H487-H489 VanDerWaalsContact C-N 3.29Å; H489-G491 PolarHBondContact O-N 3.43Å; H489-V492 HydrophobicContact CB-CG2 3.85Å; H489-V492 PolarHBondContact O-N 2.77Å
490	P	96.6	Very high	98	Very high	132 Å²	132	31.9 Å²	31.9	86%	0.857	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	127.6	-178	-28.3	35.5	0	0	0	112.8	V492	P490-V492 VanDerWaalsContact C-N 3.29Å; P490-V492 PolarHBondContact O-N 2.85Å
491	G	97.1	Very high	98	Very high	41 Å²	41	38.4 Å²	38.4	42%	0.423	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-13.4	175.3	0	0	0	0	0	116.5	H489 D494 R495	H489-G491 PolarHBondContact O-N 3.43Å; G491-D494 PolarHBondContact O-N 3.43Å; G491-R495 VanDerWaalsContact O-CB 3.23Å; G491-R495 WeakPolarHBondContact O-CB 3.42Å; G491-R495 PolarHBondContact O-N 3.27Å
492	V	97.8	Very high	98	Very high	19 Å²	19	41.9 Å²	41.9	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-51	-177.4	177.1	0	0	0	0	111.6	G139 W468 H489 P490 D494 R495 F496	G139-V492 WeakPolarHBondContact O-CG1 3.16Å; W468-V492 HydrophobicContact CH2-CG1 3.99Å; H489-V492 HydrophobicContact CB-CG2 3.85Å; H489-V492 PolarHBondContact O-N 2.77Å; P490-V492 VanDerWaalsContact C-N 3.29Å; P490-V492 PolarHBondContact O-N 2.85Å; V492-D494 PolarHBondContact O-N 3.25Å; V492-R495 PolarHBondContact O-N 3.29Å; V492-F496 PolarHBondContact O-N 3.45Å
493	A	98.3	Very high	98	Very high	9 Å²	9	42.9 Å²	42.9	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-38.7	178.2	0	0	0	0	0	112.8	T422 I426 F496 I497	T422-A493 HydrophobicContact CG2-CB 3.73Å; I426-A493 HydrophobicContact CD1-CB 4.06Å; I426-A493 HydrophobicContact CG1-CB 4.14Å; A493-F496 WeakPolarHBondContact O-CB 3.37Å; A493-F496 PolarHBondContact O-N 2.78Å; A493-I497 WeakPolarHBondContact O-CD1 3.38Å; A493-I497 VanDerWaalsContact O-CG1 3.23Å; A493-I497 WeakPolarHBondContact O-CG1 3.02Å; A493-I497 PolarHBondContact O-N 2.92Å
494	D	98.4	Very high	98	Very high	80 Å²	80	43 Å²	43	43%	0.428	22%	0.222	S	C	.	.	H	α-helix	trans	-66.4	-41.4	177.4	-71.1	-56.1	0	0	0	111.8	K425 G491 V492 I497 R498	K425-D494 WeakPolarHBondContact CE-OD1 3.26Å; K425-D494 IonicContact NZ-OD1 2.64Å; K425-D494 PolarHBondContact NZ-OD1 3.49Å; K425-D494 IonicContact NZ-OD2 2.62Å; K425-D494 PolarHBondContact NZ-OD2 3.39Å; G491-D494 PolarHBondContact O-N 3.43Å; V492-D494 PolarHBondContact O-N 3.25Å; D494-I497 PolarHBondContact O-N 3.4Å; D494-R498 VanDerWaalsContact O-CB 3.26Å; D494-R498 WeakPolarHBondContact O-CB 3.19Å; D494-R498 PolarHBondContact O-N 3.24Å
495	R	98.3	Very high	98	Very high	86 Å²	86	45.8 Å²	45.8	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-59.7	-47.1	172.4	-179.9	-177.6	172.6	-149.5	-12.1	110.9	K466 W468 G491 V492 I497 R498 E499	K466-R495 PolarHBondContact O-NH2 2.88Å; W468-R495 HydrophobicContact CZ2-CG 4.48Å; G491-R495 VanDerWaalsContact O-CB 3.23Å; G491-R495 WeakPolarHBondContact O-CB 3.42Å; G491-R495 PolarHBondContact O-N 3.27Å; V492-R495 PolarHBondContact O-N 3.29Å; R495-I497 PolarHBondContact O-N 3.45Å; R495-R498 PolarHBondContact O-N 3.25Å; R495-E499 HydrophobicContact CG-CG 4.37Å; R495-E499 WeakPolarHBondContact CG-OE1 3.41Å; R495-E499 IonicContact CZ-OE1 3.96Å; R495-E499 IonicContact NE-OE1 3.99Å; R495-E499 PolarHBondContact NE-OE1 3.23Å; R495-E499 IonicContact NE-OE2 3.48Å; R495-E499 IonicContact NH2-OE1 2.69Å; R495-E499 PolarHBondContact NH2-OE1 3.33Å; R495-E499 IonicContact NH2-OE2 3.7Å; R495-E499 WeakPolarHBondContact O-CB 3.4Å; R495-E499 WeakPolarHBondContact O-CG 3.45Å; R495-E499 PolarHBondContact O-N 3.49Å
496	F	98.6	Very high	98	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-52.5	177.5	-176.7	-113.5	0	0	0	111.7	I426 I430 I449 L463 W468 L470 L481 V492 A493 R498 E499 V500	I426-F496 HydrophobicContact CD1-CD1 4.25Å; I426-F496 HydrophobicContact CG1-CD1 4.41Å; I426-F496 HydrophobicContact CG2-CD1 3.93Å; I426-F496 HydrophobicContact CG2-CE1 3.83Å; I430-F496 HydrophobicContact CD1-CE1 4.01Å; I449-F496 HydrophobicContact CD1-CZ 4.26Å; L463-F496 HydrophobicContact CD1-CE2 4.3Å; W468-F496 AromaticContact CD2-CD2 3.72Å; W468-F496 HydrophobicContact CD2-CD2 3.72Å; W468-F496 HydrophobicContact CD2-CE2 4.24Å; W468-F496 AromaticContact CE2-CD2 3.72Å; W468-F496 AromaticContact CE3-CD2 3.68Å; W468-F496 HydrophobicContact CE3-CD2 3.68Å; W468-F496 HydrophobicContact CE3-CE2 4.14Å; W468-F496 HydrophobicContact CH2-CB 3.51Å; W468-F496 AromaticContact CH2-CD2 3.75Å; W468-F496 HydrophobicContact CH2-CD2 3.75Å; W468-F496 HydrophobicContact CH2-CG 4Å; W468-F496 HydrophobicContact CZ2-CB 3.6Å; W468-F496 AromaticContact CZ2-CD2 3.76Å; W468-F496 HydrophobicContact CZ2-CD2 3.76Å; W468-F496 HydrophobicContact CZ2-CG 4.17Å; W468-F496 HydrophobicContact CZ3-CB 4.19Å; W468-F496 AromaticContact CZ3-CD2 3.69Å; W468-F496 HydrophobicContact CZ3-CD2 3.69Å; W468-F496 HydrophobicContact CZ3-CE2 4.47Å; W468-F496 HydrophobicContact CZ3-CG 4.21Å; L470-F496 HydrophobicContact CD1-CE2 4.12Å; L470-F496 HydrophobicContact CD1-CZ 4.35Å; L470-F496 HydrophobicContact CD2-CE2 4.05Å; L470-F496 HydrophobicContact CD2-CZ 4.44Å; L481-F496 HydrophobicContact CB-CE1 4.39Å; L481-F496 HydrophobicContact CB-CZ 4.18Å; L481-F496 HydrophobicContact CD2-CD1 3.74Å; L481-F496 HydrophobicContact CD2-CD2 4.39Å; L481-F496 HydrophobicContact CD2-CE1 3.59Å; L481-F496 HydrophobicContact CD2-CE2 4.28Å; L481-F496 HydrophobicContact CD2-CG 4.15Å; L481-F496 HydrophobicContact CD2-CZ 3.88Å; V492-F496 PolarHBondContact O-N 3.45Å; A493-F496 WeakPolarHBondContact O-CB 3.37Å; A493-F496 PolarHBondContact O-N 2.78Å; F496-R498 VanDerWaalsContact C-N 3.33Å; F496-R498 PolarHBondContact O-N 3.26Å; F496-E499 PolarHBondContact O-N 3.38Å; F496-V500 HydrophobicContact CD1-CG2 4.37Å; F496-V500 HydrophobicContact CD2-CG2 4.31Å; F496-V500 HydrophobicContact CE1-CG2 4.03Å; F496-V500 HydrophobicContact CE2-CG2 3.96Å; F496-V500 HydrophobicContact CZ-CG2 3.82Å; F496-V500 VanDerWaalsContact O-CG2 3.27Å; F496-V500 WeakPolarHBondContact O-CG2 3.22Å; F496-V500 PolarHBondContact O-N 3.3Å
497	I	98.7	Very high	98	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-44.5	-179	-67.1	159.4	0	0	0	110.9	K425 I426 E429 A493 D494 R495 V500 K501	K425-I497 HydrophobicContact CG-CD1 4.14Å; I426-I497 HydrophobicContact CG1-CD1 4.08Å; I426-I497 HydrophobicContact CG1-CG1 4.19Å; E429-I497 HydrophobicContact CB-CD1 3.99Å; E429-I497 HydrophobicContact CB-CG1 4.21Å; E429-I497 HydrophobicContact CB-CG2 3.61Å; E429-I497 HydrophobicContact CG-CD1 4Å; E429-I497 HydrophobicContact CG-CG2 4.23Å; A493-I497 WeakPolarHBondContact O-CD1 3.38Å; A493-I497 VanDerWaalsContact O-CG1 3.23Å; A493-I497 WeakPolarHBondContact O-CG1 3.02Å; A493-I497 PolarHBondContact O-N 2.92Å; D494-I497 PolarHBondContact O-N 3.4Å; R495-I497 PolarHBondContact O-N 3.45Å; I497-V500 PolarHBondContact O-N 3.45Å; I497-K501 WeakPolarHBondContact O-CB 3.35Å; I497-K501 PolarHBondContact O-N 3.43Å
498	R	98.6	Very high	98	Very high	126 Å²	126	51.7 Å²	51.7	48%	0.475	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-49.5	177.9	179.1	177.8	65.7	93.6	-1.8	111.4	D494 R495 F496 K501 E502	D494-R498 VanDerWaalsContact O-CB 3.26Å; D494-R498 WeakPolarHBondContact O-CB 3.19Å; D494-R498 PolarHBondContact O-N 3.24Å; R495-R498 PolarHBondContact O-N 3.25Å; F496-R498 VanDerWaalsContact C-N 3.33Å; F496-R498 PolarHBondContact O-N 3.26Å; R498-K501 WeakPolarHBondContact O-CB 3.35Å; R498-K501 PolarHBondContact O-N 3.2Å; R498-E502 WeakPolarHBondContact CD-OE1 3.45Å; R498-E502 HydrophobicContact CG-CG 4.39Å; R498-E502 WeakPolarHBondContact CG-OE1 3.39Å; R498-E502 IonicContact CZ-OE1 2.87Å; R498-E502 IonicContact NE-OE1 3.77Å; R498-E502 IonicContact NH1-OE1 2.86Å; R498-E502 PolarHBondContact NH1-OE1 3.49Å; R498-E502 IonicContact NH1-OE2 3.68Å; R498-E502 WeakPolarHBondContact O-CB 3.19Å; R498-E502 WeakPolarHBondContact O-CG 3.42Å; R498-E502 PolarHBondContact O-N 3.03Å
499	E	98.4	Very high	98	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-38.1	-178.9	-71.9	178.2	-174.8	0	0	111.5	L463 K466 W468 R495 F496 K501 E502 Q503	L463-E499 HydrophobicContact CD2-CB 4.16Å; K466-E499 WeakPolarHBondContact CB-OE2 3.28Å; W468-E499 PolarHBondContact NE1-OE2 2.51Å; R495-E499 HydrophobicContact CG-CG 4.37Å; R495-E499 WeakPolarHBondContact CG-OE1 3.41Å; R495-E499 IonicContact CZ-OE1 3.96Å; R495-E499 IonicContact NE-OE1 3.99Å; R495-E499 PolarHBondContact NE-OE1 3.23Å; R495-E499 IonicContact NE-OE2 3.48Å; R495-E499 IonicContact NH2-OE1 2.69Å; R495-E499 PolarHBondContact NH2-OE1 3.33Å; R495-E499 IonicContact NH2-OE2 3.7Å; R495-E499 WeakPolarHBondContact O-CB 3.4Å; R495-E499 WeakPolarHBondContact O-CG 3.45Å; R495-E499 PolarHBondContact O-N 3.49Å; F496-E499 PolarHBondContact O-N 3.38Å; E499-K501 PolarHBondContact O-N 2.63Å; E499-E502 PolarHBondContact O-N 2.89Å; E499-Q503 WeakPolarHBondContact O-CB 3.06Å; E499-Q503 VanDerWaalsContact O-CG 3.27Å; E499-Q503 WeakPolarHBondContact O-CG 3.4Å; E499-Q503 PolarHBondContact O-N 2.93Å
500	V	98.7	Very high	97.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-49.2	170.4	170.7	0	0	0	0	110.5	I433 L459 L463 F496 I497 E502 Q503 V504	I433-V500 HydrophobicContact CD1-CG1 3.87Å; L459-V500 HydrophobicContact CD2-CG1 4.38Å; L463-V500 HydrophobicContact CD1-CG2 3.93Å; L463-V500 HydrophobicContact CD2-CG2 4.17Å; F496-V500 HydrophobicContact CD1-CG2 4.37Å; F496-V500 HydrophobicContact CD2-CG2 4.31Å; F496-V500 HydrophobicContact CE1-CG2 4.03Å; F496-V500 HydrophobicContact CE2-CG2 3.96Å; F496-V500 HydrophobicContact CZ-CG2 3.82Å; F496-V500 VanDerWaalsContact O-CG2 3.27Å; F496-V500 WeakPolarHBondContact O-CG2 3.22Å; F496-V500 PolarHBondContact O-N 3.3Å; I497-V500 PolarHBondContact O-N 3.45Å; V500-E502 PolarHBondContact O-N 3.35Å; V500-Q503 PolarHBondContact O-N 2.96Å; V500-V504 HydrophobicContact CG1-CG2 4.25Å; V500-V504 WeakPolarHBondContact O-CB 3.08Å; V500-V504 WeakPolarHBondContact O-CG2 3.46Å; V500-V504 PolarHBondContact O-N 3.11Å
501	K	98.6	Very high	97.8	Very high	136 Å²	136	54.3 Å²	54.3	59%	0.591	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-45.2	179.7	-174.8	179.7	178.6	-178.9	0	112.2	I433 I497 R498 E499 A505	I433-K501 HydrophobicContact CD1-CB 3.89Å; I433-K501 HydrophobicContact CD1-CG 4.48Å; I433-K501 HydrophobicContact CG1-CB 4.43Å; I433-K501 HydrophobicContact CG1-CG 4.49Å; I497-K501 WeakPolarHBondContact O-CB 3.35Å; I497-K501 PolarHBondContact O-N 3.43Å; R498-K501 WeakPolarHBondContact O-CB 3.35Å; R498-K501 PolarHBondContact O-N 3.2Å; E499-K501 PolarHBondContact O-N 2.63Å; K501-A505 WeakPolarHBondContact O-CB 3.26Å; K501-A505 PolarHBondContact O-N 3.18Å
502	E	98.4	Very high	97.6	Very high	75 Å²	75	57.4 Å²	57.4	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-48.3	177.6	-73.2	170.4	-171.5	0	0	111.4	R498 E499 V500 A505 I506	R498-E502 WeakPolarHBondContact CD-OE1 3.45Å; R498-E502 HydrophobicContact CG-CG 4.39Å; R498-E502 WeakPolarHBondContact CG-OE1 3.39Å; R498-E502 IonicContact CZ-OE1 2.87Å; R498-E502 IonicContact NE-OE1 3.77Å; R498-E502 IonicContact NH1-OE1 2.86Å; R498-E502 PolarHBondContact NH1-OE1 3.49Å; R498-E502 IonicContact NH1-OE2 3.68Å; R498-E502 WeakPolarHBondContact O-CB 3.19Å; R498-E502 WeakPolarHBondContact O-CG 3.42Å; R498-E502 PolarHBondContact O-N 3.03Å; E499-E502 PolarHBondContact O-N 2.89Å; V500-E502 PolarHBondContact O-N 3.35Å; E502-A505 PolarHBondContact O-N 3.01Å; E502-I506 WeakPolarHBondContact O-CG1 3.48Å; E502-I506 PolarHBondContact O-N 3.44Å
503	Q	98.3	Very high	97.4	Very high	21 Å²	21	61.6 Å²	61.6	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-69.1	-39.2	-178.4	-65.5	-42.7	-58.7	0	0	112.4	L459 A462 L463 E499 V500 A505 I506 I507	L459-Q503 HydrophobicContact CD1-CB 3.74Å; A462-Q503 HydrophobicContact CB-CB 4.08Å; A462-Q503 HydrophobicContact CB-CG 3.85Å; L463-Q503 HydrophobicContact CD2-CG 4.43Å; E499-Q503 WeakPolarHBondContact O-CB 3.06Å; E499-Q503 VanDerWaalsContact O-CG 3.27Å; E499-Q503 WeakPolarHBondContact O-CG 3.4Å; E499-Q503 PolarHBondContact O-N 2.93Å; V500-Q503 PolarHBondContact O-N 2.96Å; Q503-A505 VanDerWaalsContact C-N 3.33Å; Q503-A505 PolarHBondContact O-N 3.03Å; Q503-I506 PolarHBondContact O-N 3.47Å; Q503-I507 WeakPolarHBondContact O-CB 3.47Å; Q503-I507 VanDerWaalsContact O-CG1 3.28Å; Q503-I507 WeakPolarHBondContact O-CG1 3.23Å; Q503-I507 PolarHBondContact O-N 3.39Å
504	V	98.5	Very high	97	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-44.2	172.9	172	0	0	0	0	110.4	I433 K434 V436 F454 L459 V500 I506 I507 M508	I433-V504 HydrophobicContact CG2-CB 4.07Å; I433-V504 HydrophobicContact CG2-CG1 3.85Å; I433-V504 HydrophobicContact CG2-CG2 4.36Å; K434-V504 WeakPolarHBondContact O-CG1 3.44Å; V436-V504 HydrophobicContact CG1-CG1 4.46Å; V436-V504 HydrophobicContact CG1-CG2 3.68Å; V436-V504 HydrophobicContact CG2-CG2 4.4Å; F454-V504 HydrophobicContact CE1-CG1 4.2Å; F454-V504 HydrophobicContact CZ-CG2 4.19Å; L459-V504 HydrophobicContact CD1-CG2 4.07Å; L459-V504 HydrophobicContact CD2-CG2 4.04Å; V500-V504 HydrophobicContact CG1-CG2 4.25Å; V500-V504 WeakPolarHBondContact O-CB 3.08Å; V500-V504 WeakPolarHBondContact O-CG2 3.46Å; V500-V504 PolarHBondContact O-N 3.11Å; V504-I506 VanDerWaalsContact C-N 3.29Å; V504-I506 PolarHBondContact O-N 3Å; V504-I507 PolarHBondContact O-N 3.43Å; V504-M508 HydrophobicContact CG1-CG 4.01Å; V504-M508 WeakPolarHBondContact O-CB 3.42Å; V504-M508 WeakPolarHBondContact O-CG 3.27Å; V504-M508 PolarHBondContact O-N 3.48Å
505	A	98.1	Very high	96.4	Very high	59 Å²	59	67.2 Å²	67.2	49%	0.488	33%	0.331	S	S	.	.	H	α-helix	trans	-61.8	-35.5	177.5	0	0	0	0	0	113	K501 E502 Q503	K501-A505 WeakPolarHBondContact O-CB 3.26Å; K501-A505 PolarHBondContact O-N 3.18Å; E502-A505 PolarHBondContact O-N 3.01Å; Q503-A505 VanDerWaalsContact C-N 3.33Å; Q503-A505 PolarHBondContact O-N 3.03Å
506	I	97.8	Very high	95.7	Very high	92 Å²	92	67.9 Å²	67.9	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-50.2	174.5	-68.3	164.1	0	0	0	110.6	E502 Q503 V504 M508 K509	E502-I506 WeakPolarHBondContact O-CG1 3.48Å; E502-I506 PolarHBondContact O-N 3.44Å; Q503-I506 PolarHBondContact O-N 3.47Å; V504-I506 VanDerWaalsContact C-N 3.29Å; V504-I506 PolarHBondContact O-N 3Å; I506-M508 VanDerWaalsContact C-N 3.28Å; I506-M508 PolarHBondContact O-N 3.47Å; I506-K509 WeakPolarHBondContact O-CB 3.37Å; I506-K509 PolarHBondContact O-N 2.89Å; I506-K509 VanDerWaalsContact O-N 3.11Å
507	I	97.6	Very high	94.7	Very high	7 Å²	7	70.4 Å²	70.4	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-40.9	-179.1	-72.3	165.7	0	0	0	111.1	F454 R458 L459 Q503 V504 K509 N510	F454-I507 HydrophobicContact CB-CG2 3.86Å; F454-I507 HydrophobicContact CD1-CG2 3.81Å; F454-I507 HydrophobicContact CD2-CG2 3.49Å; F454-I507 VanDerWaalsContact CD2-CG2 3.49Å; F454-I507 HydrophobicContact CE1-CG2 4.21Å; F454-I507 HydrophobicContact CE2-CD1 4.17Å; F454-I507 HydrophobicContact CE2-CG2 3.94Å; F454-I507 HydrophobicContact CG-CG2 3.43Å; F454-I507 VanDerWaalsContact CG-CG2 3.43Å; F454-I507 HydrophobicContact CZ-CG2 4.28Å; R458-I507 HydrophobicContact CB-CD1 4.02Å; R458-I507 HydrophobicContact CB-CG1 4.47Å; L459-I507 HydrophobicContact CB-CD1 4.11Å; L459-I507 HydrophobicContact CD1-CD1 4.42Å; Q503-I507 WeakPolarHBondContact O-CB 3.47Å; Q503-I507 VanDerWaalsContact O-CG1 3.28Å; Q503-I507 WeakPolarHBondContact O-CG1 3.23Å; Q503-I507 PolarHBondContact O-N 3.39Å; V504-I507 PolarHBondContact O-N 3.43Å; I507-K509 PolarHBondContact O-N 3.42Å; I507-K509 VanDerWaalsContact O-N 3.15Å; I507-N510 CarbonylContact O-C 3.07Å; I507-N510 PolarHBondContact O-N 2.96Å
508	M	97.4	Very high	93.5	Very high	56 Å²	56	74.4 Å²	74.4	28%	0.276	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.7	-180	-71.2	-62.2	-70.3	0	0	114.1	D453 F454 V504 I506 N510 P511	D453-M508 HydrophobicContact CB-CE 3.94Å; D453-M508 HydrophobicContact CB-SD 3.85Å; F454-M508 HydrophobicContact CD1-SD 3.74Å; F454-M508 HydrophobicContact CE1-SD 4.26Å; V504-M508 HydrophobicContact CG1-CG 4.01Å; V504-M508 WeakPolarHBondContact O-CB 3.42Å; V504-M508 WeakPolarHBondContact O-CG 3.27Å; V504-M508 PolarHBondContact O-N 3.48Å; I506-M508 VanDerWaalsContact C-N 3.28Å; I506-M508 PolarHBondContact O-N 3.47Å; M508-N510 VanDerWaalsContact C-N 3.27Å; M508-P511 WeakPolarHBondContact O-CD 3.2Å; M508-P511 HydrophobicContact SD-CG 4.43Å
509	K	97.1	Very high	92.4	Very high	178 Å²	178	68.5 Å²	68.5	77%	0.774	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.9	169.7	-65	178.8	-179.8	179.9	0	112.2	I506 I507	I506-K509 WeakPolarHBondContact O-CB 3.37Å; I506-K509 PolarHBondContact O-N 2.89Å; I506-K509 VanDerWaalsContact O-N 3.11Å; I507-K509 PolarHBondContact O-N 3.42Å; I507-K509 VanDerWaalsContact O-N 3.15Å
510	N	95.8	Very high	91.3	Very high	75 Å²	75	69.1 Å²	69.1	40%	0.401	38%	0.376	S	S	.	.	S	Bend	trans	-143.9	78.1	174	-171.2	2.6	0	0	0	110.1	R458 I507 M508 S512 E513	R458-N510 PolarHBondContact NH1-O 3.27Å; R458-N510 PolarHBondContact NH2-O 3.47Å; I507-N510 CarbonylContact O-C 3.07Å; I507-N510 PolarHBondContact O-N 2.96Å; M508-N510 VanDerWaalsContact C-N 3.27Å; N510-S512 VanDerWaalsContact C-N 3.27Å; N510-S512 PolarHBondContact O-N 2.97Å; N510-S512 PolarHBondContact OD1-OG 2.91Å; N510-E513 HydrophobicContact CB-CB 4.43Å; N510-E513 WeakPolarHBondContact O-CB 3.38Å; N510-E513 PolarHBondContact O-N 3.42Å
511	P	93.6	Very high	90.3	Very high	48 Å²	48	73.1 Å²	73.1	31%	0.312	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.2	-173.9	-20.1	31.1	0	0	0	113.4	D453 F454 R458 M508 E513	D453-P511 WeakPolarHBondContact O-CB 3.22Å; F454-P511 HydrophobicContact CB-CB 4.29Å; R458-P511 PolarHBondContact NH1-O 2.98Å; M508-P511 WeakPolarHBondContact O-CD 3.2Å; M508-P511 HydrophobicContact SD-CG 4.43Å; P511-E513 VanDerWaalsContact C-N 3.33Å; P511-E513 PolarHBondContact O-N 3.37Å
512	S	93.2	Very high	89.2	Confident	106 Å²	106	71.4 Å²	71.4	74%	0.741	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.8	-178.1	50.8	0	0	0	0	115.2	N510	N510-S512 VanDerWaalsContact C-N 3.27Å; N510-S512 PolarHBondContact O-N 2.97Å; N510-S512 PolarHBondContact OD1-OG 2.91Å
513	E	93	Very high	88.1	Confident	107 Å²	107	69 Å²	69	50%	0.5	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-60.5	139.6	176.1	-177.3	-180	-152.3	0	0	111	R458 N510 P511	R458-E513 WeakPolarHBondContact CD-O 3.31Å; R458-E513 IonicContact CZ-OE2 3.55Å; R458-E513 IonicContact NH2-OE2 2.7Å; R458-E513 PolarHBondContact NH2-OE2 3.37Å; N510-E513 HydrophobicContact CB-CB 4.43Å; N510-E513 WeakPolarHBondContact O-CB 3.38Å; N510-E513 PolarHBondContact O-N 3.42Å; P511-E513 VanDerWaalsContact C-N 3.33Å; P511-E513 PolarHBondContact O-N 3.37Å
514	K	89	Confident	87.1	Confident	183 Å²	183	73.3 Å²	73.3	80%	0.796	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-70.8	138.6	-176.6	-66.6	-175.3	179	-180	0	111.4
515	T	87.4	Confident	86.1	Confident	24 Å²	24	74.2 Å²	74.2	15%	0.147	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-67.6	138.3	171.3	-51.3	0	0	0	0	110.7	D455 F457 R458 A520	D455-T515 WeakPolarHBondContact CB-OG1 3.35Å; D455-T515 WeakPolarHBondContact OD2-CB 3.25Å; D455-T515 PolarHBondContact OD2-OG1 3.31Å; F457-T515 HydrophobicContact CB-CG2 3.94Å; R458-T515 HydrophobicContact CG-CG2 4.13Å; R458-T515 WeakPolarHBondContact CG-OG1 3.4Å; T515-A520 WeakPolarHBondContact O-CB 3.26Å
516	T	81.9	Confident	85.3	Confident	100 Å²	100	72.9 Å²	72.9	61%	0.613	40%	0.395	S	S	*	.			trans	-118.9	178.3	178.9	58.4	0	0	0	0	111	N461 A520	N461-T516 PolarHBondContact ND2-O 3.29Å; T516-A520 PolarHBondContact O-N 3.24Å
517	G	78.9	Confident	84.3	Confident	54 Å²	54	72.6 Å²	72.6	56%	0.557	40%	0.401	S	S	*	.	H	α-helix	trans	57.3	-147.9	173.2	0	0	0	0	0	114.6	G519 A520 I521	G517-G519 VanDerWaalsContact C-N 3.28Å; G517-G519 PolarHBondContact O-N 2.98Å; G517-A520 WeakPolarHBondContact O-CB 3.38Å; G517-A520 PolarHBondContact O-N 3.4Å; G517-A520 VanDerWaalsContact O-N 3.1Å; G517-I521 PolarHBondContact O-N 2.94Å
518	M	73.9	Confident	83.4	Confident	103 Å²	103	74.3 Å²	74.3	51%	0.507	41%	0.41	S	S	.	.	H	α-helix	trans	-59	-37.1	-178.9	-69.8	-56.8	-62	0	0	113	A520 I521 Y522	M518-A520 VanDerWaalsContact C-N 3.26Å; M518-A520 PolarHBondContact O-N 3.44Å; M518-I521 HydrophobicContact CE-CD1 4.4Å; M518-I521 WeakPolarHBondContact O-CB 3.32Å; M518-I521 PolarHBondContact O-N 2.96Å; M518-I521 VanDerWaalsContact O-N 3.07Å; M518-I521 HydrophobicContact SD-CD1 3.84Å; M518-Y522 HydrophobicContact CB-CE2 4.43Å; M518-Y522 HydrophobicContact CE-CE2 4.11Å; M518-Y522 WeakPolarHBondContact O-CD2 3.23Å; M518-Y522 PolarHBondContact O-N 2.73Å; M518-Y522 VanDerWaalsContact O-N 3.1Å
519	G	75	Confident	82.2	Confident	2 Å²	2	76.7 Å²	76.7	2%	0.021	43%	0.429	C	S	.	.	H	α-helix	trans	-56.2	-38.3	175.4	0	0	0	0	0	113.7	N461 G517 Y522 G523	N461-G519 PolarHBondContact OD1-N 3.27Å; N461-G519 VanDerWaalsContact OD1-N 3.12Å; G517-G519 VanDerWaalsContact C-N 3.28Å; G517-G519 PolarHBondContact O-N 2.98Å; G519-Y522 PolarHBondContact O-N 3.47Å; G519-G523 PolarHBondContact O-N 3.29Å
520	A	75.9	Confident	81.3	Confident	24 Å²	24	69 Å²	69	20%	0.198	40%	0.397	C	S	.	.	H	α-helix	trans	-66.6	-38.1	176.3	0	0	0	0	0	111.8	T515 T516 G517 M518 G523 M524	T515-A520 WeakPolarHBondContact O-CB 3.26Å; T516-A520 PolarHBondContact O-N 3.24Å; G517-A520 WeakPolarHBondContact O-CB 3.38Å; G517-A520 PolarHBondContact O-N 3.4Å; G517-A520 VanDerWaalsContact O-N 3.1Å; M518-A520 VanDerWaalsContact C-N 3.26Å; M518-A520 PolarHBondContact O-N 3.44Å; A520-G523 PolarHBondContact O-N 2.96Å; A520-M524 WeakPolarHBondContact O-CB 3.42Å; A520-M524 VanDerWaalsContact O-CG 3.28Å; A520-M524 WeakPolarHBondContact O-CG 3.32Å; A520-M524 PolarHBondContact O-N 3.21Å
521	I	77.4	Confident	80.7	Confident	84 Å²	84	69.9 Å²	69.9	43%	0.431	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-45.7	176.6	-61.3	174.9	0	0	0	110.1	G517 M518 M524 A525	G517-I521 PolarHBondContact O-N 2.94Å; M518-I521 HydrophobicContact CE-CD1 4.4Å; M518-I521 WeakPolarHBondContact O-CB 3.32Å; M518-I521 PolarHBondContact O-N 2.96Å; M518-I521 VanDerWaalsContact O-N 3.07Å; M518-I521 HydrophobicContact SD-CD1 3.84Å; I521-M524 HydrophobicContact CG1-CE 4.49Å; I521-M524 PolarHBondContact O-N 3.4Å; I521-A525 VanDerWaalsContact O-CB 3.23Å; I521-A525 WeakPolarHBondContact O-CB 3.36Å; I521-A525 PolarHBondContact O-N 2.83Å
522	Y	75.5	Confident	80	Confident	100 Å²	100	69.5 Å²	69.5	39%	0.392	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-41	177.4	-73.1	-69.1	0	0	0	113	T472 M518 G519 A525 Q526	T472-Y522 HydrophobicContact CG2-CD1 4.03Å; T472-Y522 HydrophobicContact CG2-CD2 3.74Å; T472-Y522 HydrophobicContact CG2-CE2 4.29Å; T472-Y522 HydrophobicContact CG2-CG 3.61Å; M518-Y522 HydrophobicContact CB-CE2 4.43Å; M518-Y522 HydrophobicContact CE-CE2 4.11Å; M518-Y522 WeakPolarHBondContact O-CD2 3.23Å; M518-Y522 PolarHBondContact O-N 2.73Å; M518-Y522 VanDerWaalsContact O-N 3.1Å; G519-Y522 PolarHBondContact O-N 3.47Å; Y522-A525 PolarHBondContact O-N 2.93Å; Y522-Q526 PolarHBondContact O-N 3.27Å
523	G	75.1	Confident	79.3	Confident	24 Å²	24	65.9 Å²	65.9	25%	0.247	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-46.6	174.2	0	0	0	0	0	112.5	G519 A520 Q526 S527	G519-G523 PolarHBondContact O-N 3.29Å; A520-G523 PolarHBondContact O-N 2.96Å; G523-Q526 PolarHBondContact O-N 2.97Å; G523-S527 PolarHBondContact O-N 3.46Å
524	M	76.1	Confident	78.9	Confident	111 Å²	111	62 Å²	62	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-46	175.5	-74.5	-171.1	-61	0	0	111.5	A520 I521 Q526 S527 I528	A520-M524 WeakPolarHBondContact O-CB 3.42Å; A520-M524 VanDerWaalsContact O-CG 3.28Å; A520-M524 WeakPolarHBondContact O-CG 3.32Å; A520-M524 PolarHBondContact O-N 3.21Å; I521-M524 HydrophobicContact CG1-CE 4.49Å; I521-M524 PolarHBondContact O-N 3.4Å; M524-Q526 PolarHBondContact O-N 3.46Å; M524-Q526 VanDerWaalsContact O-N 3.12Å; M524-S527 PolarHBondContact O-N 2.87Å; M524-S527 PolarHBondContact O-OG 3.11Å; M524-I528 WeakPolarHBondContact O-CG1 3.5Å; M524-I528 PolarHBondContact O-N 2.68Å
525	A	78.6	Confident	78.7	Confident	22 Å²	22	56.5 Å²	56.5	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-55.7	-33.1	-179.2	0	0	0	0	0	112.5	I521 Y522 R531	I521-A525 VanDerWaalsContact O-CB 3.23Å; I521-A525 WeakPolarHBondContact O-CB 3.36Å; I521-A525 PolarHBondContact O-N 2.83Å; Y522-A525 PolarHBondContact O-N 2.93Å; A525-R531 PolarHBondContact O-NH1 3.2Å
526	Q	80.4	Confident	78.6	Confident	30 Å²	30	58.1 Å²	58.1	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-71.6	-38.3	174.2	-72.6	-174.9	59.4	0	0	113.4	F457 Q474 F475 S477 Y522 G523 M524 I528	F457-Q526 VanDerWaalsContact CZ-NE2 3.26Å; Q474-Q526 HydrophobicContact CB-CG 3.45Å; Q474-Q526 VanDerWaalsContact CB-CG 3.45Å; Q474-Q526 VanDerWaalsContact CB-NE2 3.31Å; Q474-Q526 HydrophobicContact CG-CG 4.5Å; F475-Q526 HydrophobicContact CE1-CB 3.98Å; F475-Q526 HydrophobicContact CE1-CG 4.13Å; F475-Q526 HydrophobicContact CE2-CG 4.19Å; F475-Q526 HydrophobicContact CZ-CB 3.92Å; F475-Q526 HydrophobicContact CZ-CG 3.87Å; S477-Q526 PolarHBondContact OG-NE2 3.43Å; S477-Q526 PolarHBondContact OG-OE1 3.11Å; Y522-Q526 PolarHBondContact O-N 3.27Å; G523-Q526 PolarHBondContact O-N 2.97Å; M524-Q526 PolarHBondContact O-N 3.46Å; M524-Q526 VanDerWaalsContact O-N 3.12Å; Q526-I528 VanDerWaalsContact C-N 3.33Å; Q526-I528 PolarHBondContact O-N 2.85Å
527	S	77.5	Confident	78.8	Confident	86 Å²	86	55.7 Å²	55.7	60%	0.601	32%	0.319	S	S	*	.	H	α-helix	trans	-73.1	-20.7	-177.2	71.8	0	0	0	0	114.2	G523 M524 P529	G523-S527 PolarHBondContact O-N 3.46Å; M524-S527 PolarHBondContact O-N 2.87Å; M524-S527 PolarHBondContact O-OG 3.11Å; S527-P529 WeakPolarHBondContact O-CD 3.1Å
528	I	78.4	Confident	79.2	Confident	43 Å²	43	55.9 Å²	55.9	22%	0.221	31%	0.312	C	S	.	.			trans	-65	114.3	-178.4	-65.7	169.2	0	0	0	110.1	M524 Q526 D530 L533 V534	M524-I528 WeakPolarHBondContact O-CG1 3.5Å; M524-I528 PolarHBondContact O-N 2.68Å; Q526-I528 VanDerWaalsContact C-N 3.33Å; Q526-I528 PolarHBondContact O-N 2.85Å; I528-D530 VanDerWaalsContact CG2-O 3.25Å; I528-D530 WeakPolarHBondContact CG2-O 3.44Å; I528-L533 HydrophobicContact CG2-CB 4.34Å; I528-L533 HydrophobicContact CG2-CD1 4.22Å; I528-V534 HydrophobicContact CB-CG2 4.33Å; I528-V534 HydrophobicContact CD1-CG2 4.23Å; I528-V534 HydrophobicContact CG2-CG2 4.42Å
529	P	73.3	Confident	79.9	Confident	106 Å²	106	59 Å²	59	69%	0.688	32%	0.318	S	S	*	.	S	Bend	trans	-68.8	-36.1	-179.9	-20.7	34.7	0	0	0	112.7	F70 S527 R531	F70-P529 HydrophobicContact CZ-CB 4.07Å; S527-P529 WeakPolarHBondContact O-CD 3.1Å; P529-R531 PolarHBondContact O-N 3.49Å
530	D	77.4	Confident	80.4	Confident	16 Å²	16	59.3 Å²	59.3	9%	0.086	32%	0.322	C	S	.	.			trans	-83.6	93.3	176.2	-175.9	5.5	0	0	0	110.9	F70 I528 S532 L533	F70-D530 HydrophobicContact CD1-CB 3.98Å; F70-D530 HydrophobicContact CD2-CB 4.28Å; F70-D530 HydrophobicContact CE1-CB 4.23Å; F70-D530 HydrophobicContact CG-CB 4.03Å; I528-D530 VanDerWaalsContact CG2-O 3.25Å; I528-D530 WeakPolarHBondContact CG2-O 3.44Å; D530-S532 PolarHBondContact O-N 2.94Å; D530-S532 VanDerWaalsContact O-N 3.08Å; D530-S532 WeakPolarHBondContact OD1-CB 3.23Å; D530-S532 PolarHBondContact OD1-N 3.3Å; D530-S532 PolarHBondContact OD1-OG 2.88Å; D530-S532 PolarHBondContact OD2-OG 3.15Å; D530-L533 HydrophobicContact CB-CD1 4.33Å; D530-L533 HydrophobicContact CB-CG 4.5Å; D530-L533 PolarHBondContact O-N 3.05Å; D530-L533 VanDerWaalsContact O-N 3.15Å
531	R	82.5	Confident	81	Confident	94 Å²	94	62.1 Å²	62.1	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-13.8	178	-54.9	-53.3	-62.6	176.9	-1	113.6	A525 P529 L533 V534 T535	A525-R531 PolarHBondContact O-NH1 3.2Å; P529-R531 PolarHBondContact O-N 3.49Å; R531-L533 VanDerWaalsContact C-N 3.29Å; R531-L533 PolarHBondContact O-N 2.9Å; R531-V534 PolarHBondContact O-N 2.83Å; R531-T535 PolarHBondContact O-N 3Å; R531-T535 VanDerWaalsContact O-N 3.11Å; R531-T535 PolarHBondContact O-OG1 3.24Å
532	S	79.3	Confident	81.6	Confident	40 Å²	40	62.4 Å²	62.4	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-32.6	174.7	79	0	0	0	0	112	D530 T535 E536	D530-S532 PolarHBondContact O-N 2.94Å; D530-S532 VanDerWaalsContact O-N 3.08Å; D530-S532 WeakPolarHBondContact OD1-CB 3.23Å; D530-S532 PolarHBondContact OD1-N 3.3Å; D530-S532 PolarHBondContact OD1-OG 2.88Å; D530-S532 PolarHBondContact OD2-OG 3.15Å; S532-T535 WeakPolarHBondContact O-CB 3.35Å; S532-T535 PolarHBondContact O-N 3.06Å; S532-E536 WeakPolarHBondContact O-CB 3.45Å; S532-E536 PolarHBondContact O-N 2.87Å
533	L	79.5	Confident	82.2	Confident	30 Å²	30	63.2 Å²	63.2	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-65.5	-44.1	174.8	-69.3	172.2	0	0	0	111.7	I83 I528 D530 R531 T535 E536 I537	I83-L533 HydrophobicContact CG2-CD2 3.71Å; I528-L533 HydrophobicContact CG2-CB 4.34Å; I528-L533 HydrophobicContact CG2-CD1 4.22Å; D530-L533 HydrophobicContact CB-CD1 4.33Å; D530-L533 HydrophobicContact CB-CG 4.5Å; D530-L533 PolarHBondContact O-N 3.05Å; D530-L533 VanDerWaalsContact O-N 3.15Å; R531-L533 VanDerWaalsContact C-N 3.29Å; R531-L533 PolarHBondContact O-N 2.9Å; L533-T535 PolarHBondContact O-N 2.93Å; L533-E536 PolarHBondContact O-N 2.93Å; L533-E536 VanDerWaalsContact O-N 3.14Å; L533-I537 WeakPolarHBondContact O-CG1 3.31Å; L533-I537 PolarHBondContact O-N 3.35Å
534	V	84	Confident	82.8	Confident	26 Å²	26	63.3 Å²	63.3	16%	0.158	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-38.1	175	-177.8	0	0	0	0	110.6	I528 R531 S538	I528-V534 HydrophobicContact CB-CG2 4.33Å; I528-V534 HydrophobicContact CD1-CG2 4.23Å; I528-V534 HydrophobicContact CG2-CG2 4.42Å; R531-V534 PolarHBondContact O-N 2.83Å; V534-S538 VanDerWaalsContact O-CB 3.3Å; V534-S538 WeakPolarHBondContact O-CB 3.37Å; V534-S538 PolarHBondContact O-N 2.96Å; V534-S538 PolarHBondContact O-OG 2.87Å
535	T	85.9	Confident	83.4	Confident	67 Å²	67	62.6 Å²	62.6	41%	0.411	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-42	175.8	-55.9	0	0	0	0	111.7	R531 S532 L533 S538 R539	R531-T535 PolarHBondContact O-N 3Å; R531-T535 VanDerWaalsContact O-N 3.11Å; R531-T535 PolarHBondContact O-OG1 3.24Å; S532-T535 WeakPolarHBondContact O-CB 3.35Å; S532-T535 PolarHBondContact O-N 3.06Å; L533-T535 PolarHBondContact O-N 2.93Å; T535-S538 PolarHBondContact O-N 2.92Å; T535-R539 WeakPolarHBondContact O-CG 3.31Å; T535-R539 PolarHBondContact O-N 3.43Å
536	E	84.6	Confident	83.9	Confident	59 Å²	59	71 Å²	71	28%	0.276	37%	0.365	S	S	.	.	H	α-helix	trans	-66.8	-46.7	179.3	-164.1	171.3	176.5	0	0	111.8	R74 L87 S532 L533 S538 R539 G540	R74-E536 IonicContact CZ-OE2 2.76Å; R74-E536 VanDerWaalsContact CZ-OE2 3.3Å; R74-E536 IonicContact NH1-OE2 3.19Å; R74-E536 PolarHBondContact NH1-OE2 3.09Å; R74-E536 IonicContact NH2-OE1 3.85Å; R74-E536 PolarHBondContact NH2-OE1 3.26Å; R74-E536 IonicContact NH2-OE2 3.46Å; R74-E536 PolarHBondContact NH2-OE2 2.87Å; L87-E536 HydrophobicContact CD2-CG 3.73Å; L87-E536 WeakPolarHBondContact CD2-OE1 3.43Å; S532-E536 WeakPolarHBondContact O-CB 3.45Å; S532-E536 PolarHBondContact O-N 2.87Å; L533-E536 PolarHBondContact O-N 2.93Å; L533-E536 VanDerWaalsContact O-N 3.14Å; E536-S538 VanDerWaalsContact C-N 3.3Å; E536-S538 PolarHBondContact O-N 3.4Å; E536-R539 PolarHBondContact O-N 3.4Å; E536-G540 PolarHBondContact O-N 2.93Å
537	I	84.9	Confident	84.3	Confident	49 Å²	49	71.1 Å²	71.1	25%	0.251	37%	0.37	S	S	.	.	H	α-helix	trans	-57.5	-44.9	172.4	-67.3	169.3	0	0	0	110.5	L87 M94 L533 R539 G540 F541	L87-I537 HydrophobicContact CD1-CB 4.38Å; L87-I537 HydrophobicContact CD1-CD1 4.21Å; L87-I537 HydrophobicContact CD1-CG1 3.27Å; M94-I537 HydrophobicContact CE-CG2 3.7Å; M94-I537 HydrophobicContact SD-CG2 4.15Å; L533-I537 WeakPolarHBondContact O-CG1 3.31Å; L533-I537 PolarHBondContact O-N 3.35Å; I537-R539 VanDerWaalsContact C-N 3.31Å; I537-R539 PolarHBondContact O-N 3.5Å; I537-G540 PolarHBondContact O-N 3.23Å; I537-F541 WeakPolarHBondContact O-CB 3.41Å; I537-F541 PolarHBondContact O-N 2.91Å
538	S	87.2	Confident	84.8	Confident	58 Å²	58	69.9 Å²	69.9	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-34.9	180	-58	0	0	0	0	112.3	V534 T535 E536 L542	V534-S538 VanDerWaalsContact O-CB 3.3Å; V534-S538 WeakPolarHBondContact O-CB 3.37Å; V534-S538 PolarHBondContact O-N 2.96Å; V534-S538 PolarHBondContact O-OG 2.87Å; T535-S538 PolarHBondContact O-N 2.92Å; E536-S538 VanDerWaalsContact C-N 3.3Å; E536-S538 PolarHBondContact O-N 3.4Å; S538-L542 WeakPolarHBondContact O-CG 3.38Å; S538-L542 PolarHBondContact O-N 3.3Å; S538-L542 VanDerWaalsContact O-N 3.16Å
539	R	89.6	Confident	85.1	Confident	168 Å²	168	75.1 Å²	75.1	63%	0.634	38%	0.382	S	S	*	.	H	α-helix	trans	-67	-48.2	174.6	-76.1	171.5	177.2	176.2	-2.6	111.2	T535 E536 I537 F541 L542 D543	T535-R539 WeakPolarHBondContact O-CG 3.31Å; T535-R539 PolarHBondContact O-N 3.43Å; E536-R539 PolarHBondContact O-N 3.4Å; I537-R539 VanDerWaalsContact C-N 3.31Å; I537-R539 PolarHBondContact O-N 3.5Å; R539-F541 VanDerWaalsContact C-N 3.3Å; R539-F541 PolarHBondContact O-N 2.96Å; R539-L542 WeakPolarHBondContact O-CA 3.32Å; R539-L542 WeakPolarHBondContact O-CB 3.44Å; R539-L542 PolarHBondContact O-N 3.07Å; R539-D543 PolarHBondContact O-N 3.44Å
540	G	86.3	Confident	85.2	Confident	9 Å²	9	74.3 Å²	74.3	9%	0.093	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-34.3	177.6	0	0	0	0	0	112.9	L91 E536 I537 L542 D543 C544	L91-G540 VanDerWaalsContact CD2-CA 3.49Å; E536-G540 PolarHBondContact O-N 2.93Å; I537-G540 PolarHBondContact O-N 3.23Å; G540-L542 VanDerWaalsContact C-N 3.32Å; G540-L542 PolarHBondContact O-N 3.39Å; G540-D543 PolarHBondContact O-N 2.72Å; G540-C544 PolarHBondContact O-N 3.05Å; G540-C544 PolarHBondContact O-SG 3.49Å
541	F	86.8	Confident	84.7	Confident	82 Å²	82	75 Å²	75	36%	0.36	38%	0.38	S	S	.	.	H	α-helix	trans	-56.1	-45.1	167.9	169.9	-91.5	0	0	0	111.9	M94 L98 I537 R539 C544 L545	M94-F541 HydrophobicContact CE-CB 4.41Å; M94-F541 HydrophobicContact SD-CB 4.18Å; M94-F541 HydrophobicContact SD-CD2 4.2Å; L98-F541 HydrophobicContact CD1-CD2 3.73Å; L98-F541 HydrophobicContact CD1-CE2 3.73Å; L98-F541 HydrophobicContact CD2-CE2 3.83Å; L98-F541 HydrophobicContact CD2-CZ 4.39Å; L98-F541 HydrophobicContact CG-CE2 4.24Å; I537-F541 WeakPolarHBondContact O-CB 3.41Å; I537-F541 PolarHBondContact O-N 2.91Å; R539-F541 VanDerWaalsContact C-N 3.3Å; R539-F541 PolarHBondContact O-N 2.96Å; F541-C544 WeakPolarHBondContact O-CB 3.49Å; F541-C544 PolarHBondContact O-N 3.37Å; F541-L545 HydrophobicContact CD1-CD1 4.43Å; F541-L545 HydrophobicContact CE1-CD1 3.85Å; F541-L545 HydrophobicContact CE1-CD2 4.38Å; F541-L545 HydrophobicContact CE1-CG 4.25Å; F541-L545 HydrophobicContact CZ-CD1 4.38Å; F541-L545 HydrophobicContact CZ-CD2 4.13Å; F541-L545 HydrophobicContact CZ-CG 4.48Å; F541-L545 WeakPolarHBondContact O-CG 3.45Å; F541-L545 PolarHBondContact O-N 3.03Å
542	L	90.6	Very high	83.5	Confident	91 Å²	91	79.6 Å²	79.6	48%	0.476	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-38.7	176.8	-67	171.8	0	0	0	111.8	S538 R539 G540 C544 L545 Y546	S538-L542 WeakPolarHBondContact O-CG 3.38Å; S538-L542 PolarHBondContact O-N 3.3Å; S538-L542 VanDerWaalsContact O-N 3.16Å; R539-L542 WeakPolarHBondContact O-CA 3.32Å; R539-L542 WeakPolarHBondContact O-CB 3.44Å; R539-L542 PolarHBondContact O-N 3.07Å; G540-L542 VanDerWaalsContact C-N 3.32Å; G540-L542 PolarHBondContact O-N 3.39Å; L542-C544 VanDerWaalsContact C-N 3.33Å; L542-C544 PolarHBondContact O-N 3.25Å; L542-L545 HydrophobicContact CD2-CD1 4.07Å; L542-L545 WeakPolarHBondContact O-CB 3.34Å; L542-L545 PolarHBondContact O-N 2.83Å; L542-Y546 VanDerWaalsContact O-CD2 3.26Å; L542-Y546 WeakPolarHBondContact O-CD2 3.46Å
543	D	89.4	Confident	82	Confident	117 Å²	117	82.2 Å²	82.2	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-62.6	-40.9	175.3	-64.2	-33.9	0	0	0	111.1	R539 G540 L545 Y546 S547	R539-D543 PolarHBondContact O-N 3.44Å; G540-D543 PolarHBondContact O-N 2.72Å; D543-L545 VanDerWaalsContact C-N 3.26Å; D543-L545 PolarHBondContact O-N 3.07Å; D543-Y546 PolarHBondContact O-N 3.4Å; D543-Y546 VanDerWaalsContact O-N 3.1Å; D543-S547 PolarHBondContact O-N 3.1Å
544	C	86.8	Confident	80	Confident	26 Å²	26	87 Å²	87	18%	0.176	45%	0.446	C	S	.	.	H	α-helix	trans	-59.5	-33.3	175.5	-67.9	0	0	0	0	113.1	L98 G540 F541 L542 Y546 S547	L98-C544 HydrophobicContact CD1-CB 3.65Å; G540-C544 PolarHBondContact O-N 3.05Å; G540-C544 PolarHBondContact O-SG 3.49Å; F541-C544 WeakPolarHBondContact O-CB 3.49Å; F541-C544 PolarHBondContact O-N 3.37Å; L542-C544 VanDerWaalsContact C-N 3.33Å; L542-C544 PolarHBondContact O-N 3.25Å; C544-Y546 PolarHBondContact O-N 2.82Å; C544-S547 WeakPolarHBondContact O-CB 3.28Å; C544-S547 PolarHBondContact O-N 2.91Å; C544-S547 VanDerWaalsContact O-N 3.15Å
545	L	87.6	Confident	77.6	Confident	95 Å²	95	92.2 Å²	92.2	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-22.9	177.7	-62.3	178.6	0	0	0	113.4	L98 F541 L542 D543	L98-L545 HydrophobicContact CD1-CD2 4.14Å; L98-L545 HydrophobicContact CD2-CD2 4.04Å; F541-L545 HydrophobicContact CD1-CD1 4.43Å; F541-L545 HydrophobicContact CE1-CD1 3.85Å; F541-L545 HydrophobicContact CE1-CD2 4.38Å; F541-L545 HydrophobicContact CE1-CG 4.25Å; F541-L545 HydrophobicContact CZ-CD1 4.38Å; F541-L545 HydrophobicContact CZ-CD2 4.13Å; F541-L545 HydrophobicContact CZ-CG 4.48Å; F541-L545 WeakPolarHBondContact O-CG 3.45Å; F541-L545 PolarHBondContact O-N 3.03Å; L542-L545 HydrophobicContact CD2-CD1 4.07Å; L542-L545 WeakPolarHBondContact O-CB 3.34Å; L542-L545 PolarHBondContact O-N 2.83Å; D543-L545 VanDerWaalsContact C-N 3.26Å; D543-L545 PolarHBondContact O-N 3.07Å
546	Y	90.3	Very high	75.2	Confident	199 Å²	199	92.7 Å²	92.7	78%	0.78	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	3.4	178.2	-63.9	-78.3	0	0	0	112.7	L542 D543 C544	L542-Y546 VanDerWaalsContact O-CD2 3.26Å; L542-Y546 WeakPolarHBondContact O-CD2 3.46Å; D543-Y546 PolarHBondContact O-N 3.4Å; D543-Y546 VanDerWaalsContact O-N 3.1Å; C544-Y546 PolarHBondContact O-N 2.82Å
547	S	87.6	Confident	72.7	Confident	33 Å²	33	98.9 Å²	98.9	23%	0.231	51%	0.513	C	S	.	.			trans	-70.9	133.5	177.8	-176.1	0	0	0	0	110.9	D543 C544 E549	D543-S547 PolarHBondContact O-N 3.1Å; C544-S547 WeakPolarHBondContact O-CB 3.28Å; C544-S547 PolarHBondContact O-N 2.91Å; C544-S547 VanDerWaalsContact O-N 3.15Å; S547-E549 PolarHBondContact OG-N 3.47Å
548	T	89.4	Confident	70.1	Confident	60 Å²	60	104.8 Å²	104.8	37%	0.368	54%	0.541	S	S	.	.			trans	-108.8	15.6	169.4	58.6	0	0	0	0	112	Y107 Q109	Y107-T548 HydrophobicContact CD1-CG2 4.11Å; Y107-T548 VanDerWaalsContact CD2-C 3.48Å; Y107-T548 VanDerWaalsContact CD2-O 3.29Å; Y107-T548 WeakPolarHBondContact CD2-O 3.4Å; Y107-T548 HydrophobicContact CG-CG2 4.04Å; Q109-T548 PolarHBondContact NE2-O 3.12Å
549	E	84.3	Confident	67.4	Low	153 Å²	153	110.5 Å²	110.5	72%	0.715	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-83.8	133	174.5	-61.3	-171.6	172.4	0	0	109.5	S547 P551	S547-E549 PolarHBondContact OG-N 3.47Å; E549-P551 WeakPolarHBondContact O-CD 3.32Å
550	V	74.9	Confident	64.5	Low	88 Å²	88	105.3 Å²	105.3	53%	0.533	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-89	118.3	171.2	-177	0	0	0	0	106.8	L101 Y107 K552	L101-V550 HydrophobicContact CD1-CG2 4.18Å; Y107-V550 HydrophobicContact CD2-CG2 4.3Å; V550-K552 PolarHBondContact O-N 3.09Å
551	P	66.4	Low	62	Low	31 Å²	31	113.3 Å²	113.3	20%	0.201	61%	0.607	C	S	.	*	P	Polyproline II helix	trans	-56.3	127.8	178.7	-22.6	32	0	0	0	109.7	H96 C99 E549 S553	H96-P551 WeakPolarHBondContact CE1-CB 3.35Å; H96-P551 WeakPolarHBondContact ND1-CB 3.36Å; C99-P551 HydrophobicContact CB-CG 4.26Å; E549-P551 WeakPolarHBondContact O-CD 3.32Å; P551-S553 PolarHBondContact O-N 2.88Å; P551-S553 VanDerWaalsContact O-N 3.11Å
552	K	57.2	Low	59.2	Low	191 Å²	191	112.5 Å²	112.5	83%	0.83	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-60.9	120.1	173	-68.3	-179.7	-178.1	176.1	0	106.7	V550 N554	V550-K552 PolarHBondContact O-N 3.09Å; K552-N554 PolarHBondContact O-N 2.68Å
553	S	49	Very low	56.3	Low	95 Å²	95	117.1 Å²	117.1	66%	0.664	64%	0.638	S	S	*	*			trans	-55	114.1	171.8	53.5	0	0	0	0	108.1	P551 V555	P551-S553 PolarHBondContact O-N 2.88Å; P551-S553 VanDerWaalsContact O-N 3.11Å; S553-V555 VanDerWaalsContact C-N 3.29Å; S553-V555 PolarHBondContact O-N 3.4Å
554	N	36.8	Very low	53.6	Low	129 Å²	129	116.3 Å²	116.3	69%	0.69	65%	0.648	S	S	*	*			trans	-67.2	95.1	170.2	-85.1	-26	0	0	0	107.1	K552 S556	K552-N554 PolarHBondContact O-N 2.68Å; N554-S556 PolarHBondContact O-N 2.94Å
555	V	34.5	Very low	51	Low	137 Å²	137	126.3 Å²	126.3	83%	0.83	69%	0.692	S	S	*	*			trans	-72.3	64.3	163	-172.2	0	0	0	0	107.7	S553	S553-V555 VanDerWaalsContact C-N 3.29Å; S553-V555 PolarHBondContact O-N 3.4Å
556	S	34.6	Very low	49.2	Very low	76 Å²	76	127.9 Å²	127.9	53%	0.531	70%	0.701	S	S	.	*	S	Bend	trans	-173.2	86.1	168.8	48.5	0	0	0	0	108.2	N554	N554-S556 PolarHBondContact O-N 2.94Å
557	H	32.9	Very low	47	Very low	190 Å²	190	124.2 Å²	124.2	88%	0.88	70%	0.697	S	S	*	*			trans	149.8	59.2	153.6	-73.4	-51.2	0	0	0	111
558	M	30.6	Very low	44.8	Very low	172 Å²	172	129.2 Å²	129.2	85%	0.847	72%	0.723	S	S	*	*			trans	-131.8	74.1	158.1	-78.4	-171.4	85.4	0	0	109.7
559	N	28.9	Very low	42.2	Very low	178 Å²	178	133.3 Å²	133.3	95%	0.952	74%	0.744	S	S	*	*			trans	-108.1	98	140	-99.5	-9.2	0	0	0	105.4
560	G	29.6	Very low	39.5	Very low	60 Å²	60	132.1 Å²	132.1	62%	0.619	75%	0.746	S	S	*	*	S	Bend	trans	166.5	80.6	-174.7	0	0	0	0	0	110.5
561	N	34	Very low	37.2	Very low	176 Å²	176	135 Å²	135	94%	0.941	76%	0.76	S	S	*	*			trans	-56.1	137.3	-177	-143.4	1.6	0	0	0	112.3
562	G	28.3	Very low	35.1	Very low	65 Å²	65	142.4 Å²	142.4	67%	0.67	80%	0.8	S	S	*	*			trans	164.3	62.1	172.7	0	0	0	0	0	114.5	A564	G562-A564 PolarHBondContact O-N 3.09Å
563	K	29.6	Very low	33.4	Very low	189 Å²	189	138.7 Å²	138.7	82%	0.822	80%	0.797	S	S	*	*			trans	-62.3	112.8	161.8	-76.6	-175.3	176.1	-175.1	0	108.6
564	A	31.7	Very low	32.1	Very low	100 Å²	100	142.3 Å²	142.3	83%	0.826	81%	0.808	S	S	*	*			trans	-112.6	103.8	159.5	0	0	0	0	0	106.6	G562	G562-A564 PolarHBondContact O-N 3.09Å
565	H	33.4	Very low	31.7	Very low	236 Å²	236	143.5 Å²	143.5	100%	1.093	82%	0.819	S	S	*	*			trans	-90.6	0	167.6	-75.5	-61.2	0	0	0	109.7

Retrieved 565 of 565 residues in 922.7 ms (Link to these results)

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