A0A087YER0_POEFO Loading...

Dipeptidase

AlphaFold DB , UniProt , Accession A0A087YER0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 432 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	40.3	Very low	40.8	Very low	244 Å²	244	158.2 Å²	158.2	100%	1.202	86%	0.863	S	S	*	*				0	126.3	0	-91.2	167.2	80	0	0	109.4
2	S	44.9	Very low	41.4	Very low	102 Å²	102	155.2 Å²	155.2	71%	0.713	86%	0.86	S	S	*	*			trans	75.6	149.9	155.4	-150.5	0	0	0	0	121.8
3	Y	37	Very low	41.6	Very low	199 Å²	199	149.5 Å²	149.5	78%	0.78	84%	0.837	S	S	*	*			trans	86.7	129.7	176.5	-60.8	-79.3	0	0	0	115.3
4	R	35.7	Very low	41.8	Very low	228 Å²	228	150.6 Å²	150.6	86%	0.86	84%	0.839	S	S	*	*			cis	-165	147.4	22	-136.7	160.4	-163.1	-157.8	4.5	111.2
5	K	44.3	Very low	42.2	Very low	198 Å²	198	146.8 Å²	146.8	86%	0.861	83%	0.825	S	S	*	*			trans	-80.8	149.1	166.3	-76.7	176.3	173.3	176.8	0	111.5
6	T	37.9	Very low	42.6	Very low	134 Å²	134	142.6 Å²	142.6	82%	0.822	80%	0.804	S	S	*	*			trans	177.3	148.4	144.2	21.8	0	0	0	0	107.9
7	L	38	Very low	42.8	Very low	159 Å²	159	142.4 Å²	142.4	83%	0.832	80%	0.795	S	S	*	*			cis	-175.7	127.7	-32.2	-132.2	150.1	0	0	0	104.1
8	L	41.9	Very low	43.4	Very low	172 Å²	172	137.8 Å²	137.8	90%	0.901	77%	0.773	S	S	*	*			trans	-64.1	150	170.6	-81.2	77.5	0	0	0	111
9	G	42.9	Very low	43.7	Very low	78 Å²	78	136.1 Å²	136.1	80%	0.804	76%	0.762	S	S	*	*			trans	153.5	87	151.4	0	0	0	0	0	115.1
10	A	41.7	Very low	44.1	Very low	105 Å²	105	138.9 Å²	138.9	87%	0.868	76%	0.76	S	S	*	*			trans	-179.6	78.8	150.7	0	0	0	0	0	110.8
11	S	43.8	Very low	44.5	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	75%	0.748	S	S	*	*			trans	-164.2	71.4	158.7	-159	0	0	0	0	111.4
12	C	48	Very low	44.9	Very low	122 Å²	122	129.4 Å²	129.4	82%	0.824	72%	0.721	S	S	*	*	S	Bend	trans	-162.5	27.5	169	-124.6	0	0	0	0	116.2
13	S	44.6	Very low	45.2	Very low	81 Å²	81	129.6 Å²	129.6	57%	0.566	71%	0.714	S	S	*	*	S	Bend	trans	-120.7	-26.4	177.1	-166.2	0	0	0	0	114.2	H17	S13-H17 PolarHBondContact O-ND1 3.15Å; S13-H17 VanDerWaalsContact O-ND1 3.15Å
14	L	44.2	Very low	45.8	Very low	165 Å²	165	123.1 Å²	123.1	86%	0.864	70%	0.701	S	S	*	*	H	α-helix	trans	-81.5	-14.8	-178.7	-85.3	125	0	0	0	115	S18	L14-S18 PolarHBondContact O-OG 2.96Å
15	C	47.4	Very low	46.3	Very low	94 Å²	94	120.1 Å²	120.1	64%	0.635	70%	0.695	S	S	*	*	H	α-helix	trans	-89.7	-17.3	-178.4	-143.3	0	0	0	0	113.6	S18	C15-S18 PolarHBondContact O-OG 3.32Å
16	V	48.6	Very low	46.5	Very low	80 Å²	80	113.4 Å²	113.4	49%	0.485	67%	0.673	S	S	.	*	H	α-helix	trans	-89.6	-26.9	-176.7	-174.5	0	0	0	0	112.1	R20	V16-R20 PolarHBondContact O-N 3.46Å
17	H	47.1	Very low	46.8	Very low	139 Å²	139	113 Å²	113	64%	0.644	67%	0.665	S	S	*	*	H	α-helix	trans	-77	-32.6	179.2	-73.4	79.3	0	0	0	112.9	S13 A21	S13-H17 PolarHBondContact O-ND1 3.15Å; S13-H17 VanDerWaalsContact O-ND1 3.15Å; H17-A21 PolarHBondContact O-N 3.49Å
18	S	52.7	Low	46.9	Very low	59 Å²	59	109.7 Å²	109.7	41%	0.413	65%	0.654	S	S	.	*	H	α-helix	trans	-73.2	-35.5	175.5	46.8	0	0	0	0	112.7	L14 C15 L22	L14-S18 PolarHBondContact O-OG 2.96Å; C15-S18 PolarHBondContact O-OG 3.32Å; S18-L22 PolarHBondContact O-N 3.34Å; S18-L22 VanDerWaalsContact O-N 3.17Å
19	L	49.1	Very low	46.9	Very low	106 Å²	106	106.3 Å²	106.3	56%	0.555	64%	0.644	S	S	*	*	H	α-helix	trans	-70.1	-36.5	176.2	-114.4	81	0	0	0	113.1	L22 L23	L19-L22 PolarHBondContact O-N 3.34Å; L19-L23 WeakPolarHBondContact O-CB 3.02Å; L19-L23 PolarHBondContact O-N 2.97Å
20	R	51.7	Low	46.8	Very low	191 Å²	191	110 Å²	110	72%	0.721	64%	0.638	S	S	*	*	H	α-helix	trans	-68.8	-35.3	176.1	-80.1	-175.9	171.1	-173.7	-2.4	112.8	V16 A24	V16-R20 PolarHBondContact O-N 3.46Å; R20-A24 VanDerWaalsContact O-CB 3.32Å; R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.17Å
21	A	51.7	Low	47.1	Very low	62 Å²	62	111.6 Å²	111.6	51%	0.512	63%	0.631	S	S	.	*	H	α-helix	trans	-68.5	-39.4	174.6	0	0	0	0	0	112	H17 A24 F25	H17-A21 PolarHBondContact O-N 3.49Å; A21-A24 PolarHBondContact O-N 3.47Å; A21-F25 WeakPolarHBondContact O-CB 3.32Å; A21-F25 PolarHBondContact O-N 3.11Å
22	L	49.7	Very low	47.4	Very low	122 Å²	122	109.9 Å²	109.9	64%	0.639	62%	0.619	S	S	*	*	H	α-helix	trans	-69.2	-36.1	175.3	-84.7	155	0	0	0	112.9	S18 L19 S26	S18-L22 PolarHBondContact O-N 3.34Å; S18-L22 VanDerWaalsContact O-N 3.17Å; L19-L22 PolarHBondContact O-N 3.34Å; L22-S26 VanDerWaalsContact O-CB 3.23Å; L22-S26 WeakPolarHBondContact O-CB 3.5Å; L22-S26 PolarHBondContact O-N 3.27Å
23	L	50.7	Low	47.5	Very low	106 Å²	106	107.6 Å²	107.6	56%	0.555	62%	0.616	S	S	*	*	H	α-helix	trans	-71.7	-34.5	173.6	-85.4	154.9	0	0	0	112.8	L19 S26 L27	L19-L23 WeakPolarHBondContact O-CB 3.02Å; L19-L23 PolarHBondContact O-N 2.97Å; L23-S26 PolarHBondContact O-N 3.47Å; L23-L27 WeakPolarHBondContact O-CB 3.23Å; L23-L27 PolarHBondContact O-N 2.92Å
24	A	49.6	Very low	48.3	Very low	63 Å²	63	111.1 Å²	111.1	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-71.9	-36	174.1	0	0	0	0	0	112.5	R20 A21 C28	R20-A24 VanDerWaalsContact O-CB 3.32Å; R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.17Å; A21-A24 PolarHBondContact O-N 3.47Å; A24-C28 PolarHBondContact O-N 2.93Å; A24-C28 VanDerWaalsContact O-N 3.11Å
25	F	46.1	Very low	50.3	Low	166 Å²	166	105.7 Å²	105.7	73%	0.728	59%	0.593	S	S	*	*	H	α-helix	trans	-71	-34.1	172.7	-125.7	-94.9	0	0	0	112	A21 C28 C29	A21-F25 WeakPolarHBondContact O-CB 3.32Å; A21-F25 PolarHBondContact O-N 3.11Å; F25-C28 PolarHBondContact O-N 2.95Å; F25-C29 PolarHBondContact O-N 2.65Å
26	S	48.2	Very low	52.2	Low	56 Å²	56	103.8 Å²	103.8	39%	0.392	58%	0.575	S	S	.	*	H	α-helix	trans	-69.2	-40.3	173.9	-176.4	0	0	0	0	111.9	L22 L23 C28 C29 F30	L22-S26 VanDerWaalsContact O-CB 3.23Å; L22-S26 WeakPolarHBondContact O-CB 3.5Å; L22-S26 PolarHBondContact O-N 3.27Å; L23-S26 PolarHBondContact O-N 3.47Å; S26-C28 VanDerWaalsContact C-N 3.34Å; S26-C28 PolarHBondContact O-N 3.46Å; S26-C29 PolarHBondContact O-N 3.49Å; S26-F30 WeakPolarHBondContact O-CD2 3.45Å
27	L	44.4	Very low	54.3	Low	126 Å²	126	105.5 Å²	105.5	66%	0.66	58%	0.576	S	S	*	*	H	α-helix	trans	-67.4	-29.8	174.2	-111.3	79	0	0	0	113.5	L23 C29 F30	L23-L27 WeakPolarHBondContact O-CB 3.23Å; L23-L27 PolarHBondContact O-N 2.92Å; L27-C29 VanDerWaalsContact C-N 3.3Å; L27-C29 PolarHBondContact O-N 3.26Å; L27-F30 PolarHBondContact O-N 3.49Å
28	C	41.8	Very low	56.5	Low	90 Å²	90	102.7 Å²	102.7	61%	0.608	57%	0.566	S	S	*	*	H	α-helix	trans	-71.1	-23.1	174.2	-108.3	0	0	0	0	113.4	A24 F25 S26 F30	A24-C28 PolarHBondContact O-N 2.93Å; A24-C28 VanDerWaalsContact O-N 3.11Å; F25-C28 PolarHBondContact O-N 2.95Å; S26-C28 VanDerWaalsContact C-N 3.34Å; S26-C28 PolarHBondContact O-N 3.46Å; C28-F30 VanDerWaalsContact C-N 3.33Å
29	C	41.6	Very low	58.6	Low	101 Å²	101	103.6 Å²	103.6	68%	0.682	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-4.4	173.1	-70	0	0	0	0	113.7	F25 S26 L27	F25-C29 PolarHBondContact O-N 2.65Å; S26-C29 PolarHBondContact O-N 3.49Å; L27-C29 VanDerWaalsContact C-N 3.3Å; L27-C29 PolarHBondContact O-N 3.26Å
30	F	40.2	Very low	60.9	Low	155 Å²	155	98.5 Å²	98.5	68%	0.68	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	7.8	173.4	-74.5	-70.4	0	0	0	113.8	S26 L27 C28 S32	S26-F30 WeakPolarHBondContact O-CD2 3.45Å; L27-F30 PolarHBondContact O-N 3.49Å; C28-F30 VanDerWaalsContact C-N 3.33Å; F30-S32 PolarHBondContact O-N 2.94Å
31	I	48.2	Very low	63.1	Low	139 Å²	139	92.2 Å²	92.2	71%	0.713	51%	0.512	S	S	*	.	S	Bend	trans	-71.9	81.5	153.8	-53.9	177	0	0	0	105.3	G33	I31-G33 PolarHBondContact O-N 2.85Å
32	S	49.5	Very low	65.2	Low	85 Å²	85	92.6 Å²	92.6	59%	0.594	51%	0.506	S	S	*	.			trans	-47	110.2	171.9	55.6	0	0	0	0	107.7	F30 Y34	F30-S32 PolarHBondContact O-N 2.94Å; S32-Y34 PolarHBondContact O-N 3.36Å
33	G	49.8	Very low	67.5	Low	74 Å²	74	87 Å²	87	76%	0.763	48%	0.476	S	S	*	.			trans	-53.1	110.3	165.8	0	0	0	0	0	106.5	I31 S35	I31-G33 PolarHBondContact O-N 2.85Å; G33-S35 PolarHBondContact O-N 2.62Å; G33-S35 VanDerWaalsContact O-N 3.16Å
34	Y	61.8	Low	69.8	Low	154 Å²	154	81.9 Å²	81.9	60%	0.604	45%	0.45	S	S	*	.			trans	-51.8	125.9	171.9	-94.6	-98	0	0	0	106.5	S32 E36 D38	S32-Y34 PolarHBondContact O-N 3.36Å; Y34-E36 PolarHBondContact O-N 2.66Å; Y34-D38 HydrophobicContact CD1-CB 3.86Å
35	S	87.3	Confident	72	Confident	51 Å²	51	82.7 Å²	82.7	36%	0.357	45%	0.452	S	S	.	.			trans	-59.4	146.1	178.7	77.7	0	0	0	0	108.7	G33 K37 D38 R39	G33-S35 PolarHBondContact O-N 2.62Å; G33-S35 VanDerWaalsContact O-N 3.16Å; S35-K37 PolarHBondContact O-N 3.34Å; S35-D38 WeakPolarHBondContact CB-OD2 3.44Å; S35-D38 WeakPolarHBondContact O-CA 3.23Å; S35-D38 PolarHBondContact O-N 3.17Å; S35-D38 PolarHBondContact OG-N 2.74Å; S35-D38 PolarHBondContact OG-OD2 3.1Å; S35-R39 PolarHBondContact O-N 3.28Å
36	E	86.8	Confident	74.5	Confident	54 Å²	54	79.9 Å²	79.9	25%	0.252	44%	0.439	S	S	.	.	H	α-helix	trans	-54.1	-27.4	177.5	-69.1	-54.9	134.6	0	0	112.4	Y34 R39 A40 Q342 L345 K346	Y34-E36 PolarHBondContact O-N 2.66Å; E36-R39 VanDerWaalsContact CD-NH1 3.25Å; E36-R39 IonicContact OE1-CZ 3.02Å; E36-R39 IonicContact OE1-NH1 3.48Å; E36-R39 PolarHBondContact OE1-NH1 2.87Å; E36-R39 IonicContact OE2-CZ 3.77Å; E36-R39 IonicContact OE2-NH1 3.62Å; E36-R39 PolarHBondContact OE2-NH1 3.36Å; E36-A40 VanDerWaalsContact O-CB 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.29Å; E36-A40 PolarHBondContact O-N 3.39Å; E36-Q342 HydrophobicContact CB-CG 3.85Å; E36-L345 WeakPolarHBondContact OE2-CB 3.33Å; E36-K346 HydrophobicContact CG-CG 4.11Å
37	K	92.1	Very high	76.8	Confident	116 Å²	116	81.2 Å²	81.2	50%	0.504	44%	0.436	S	S	.	.	H	α-helix	trans	-65.8	-46.7	172.6	-176.9	-177.7	176.7	-174.5	0	112.2	S35 R39 A40 H41	S35-K37 PolarHBondContact O-N 3.34Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-A40 PolarHBondContact O-N 3.24Å; K37-H41 PolarHBondContact O-CD2 3.08Å; K37-H41 PolarHBondContact O-N 3.49Å
38	D	94.4	Very high	79.4	Confident	80 Å²	80	75.9 Å²	75.9	43%	0.428	41%	0.409	S	S	.	.	H	α-helix	trans	-67.6	-37.7	178.1	-58	-42.3	0	0	0	111.2	Y34 S35 H41 N42	Y34-D38 HydrophobicContact CD1-CB 3.86Å; S35-D38 WeakPolarHBondContact CB-OD2 3.44Å; S35-D38 WeakPolarHBondContact O-CA 3.23Å; S35-D38 PolarHBondContact O-N 3.17Å; S35-D38 PolarHBondContact OG-N 2.74Å; S35-D38 PolarHBondContact OG-OD2 3.1Å; D38-H41 PolarHBondContact O-N 2.86Å; D38-N42 WeakPolarHBondContact O-CB 3.47Å; D38-N42 PolarHBondContact O-N 3.37Å
39	R	95.7	Very high	82.1	Confident	78 Å²	78	71.6 Å²	71.6	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-59.8	-46.9	172.3	-65.7	-179.5	64.4	-153.5	-3.2	111.3	S35 E36 K37 H41 N42 L43 L345	S35-R39 PolarHBondContact O-N 3.28Å; E36-R39 VanDerWaalsContact CD-NH1 3.25Å; E36-R39 IonicContact OE1-CZ 3.02Å; E36-R39 IonicContact OE1-NH1 3.48Å; E36-R39 PolarHBondContact OE1-NH1 2.87Å; E36-R39 IonicContact OE2-CZ 3.77Å; E36-R39 IonicContact OE2-NH1 3.62Å; E36-R39 PolarHBondContact OE2-NH1 3.36Å; K37-R39 VanDerWaalsContact C-N 3.34Å; R39-H41 PolarHBondContact O-N 3.29Å; R39-N42 PolarHBondContact O-N 2.92Å; R39-L43 WeakPolarHBondContact O-CB 3.49Å; R39-L43 PolarHBondContact O-N 3.45Å; R39-L345 HydrophobicContact CB-CD1 3.84Å
40	A	97.2	Very high	84.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-47	177.1	0	0	0	0	0	112.2	E36 K37 L43 L44 V341 Q342 L345	E36-A40 VanDerWaalsContact O-CB 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.29Å; E36-A40 PolarHBondContact O-N 3.39Å; K37-A40 PolarHBondContact O-N 3.24Å; A40-L43 PolarHBondContact O-N 3.24Å; A40-L44 WeakPolarHBondContact O-CB 3.08Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.33Å; A40-V341 HydrophobicContact CB-CB 3.94Å; A40-V341 HydrophobicContact CB-CG1 3.73Å; A40-Q342 HydrophobicContact CB-CB 4.1Å; A40-L345 HydrophobicContact CB-CD1 4.16Å
41	H	97.8	Very high	87.6	Confident	59 Å²	59	59.5 Å²	59.5	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-38.2	177.5	-78.1	-65.1	0	0	0	113.4	K37 D38 R39 L44 S45 H90	K37-H41 PolarHBondContact O-CD2 3.08Å; K37-H41 PolarHBondContact O-N 3.49Å; D38-H41 PolarHBondContact O-N 2.86Å; R39-H41 PolarHBondContact O-N 3.29Å; H41-L44 PolarHBondContact O-N 3.13Å; H41-S45 WeakPolarHBondContact O-CB 3.35Å; H41-S45 PolarHBondContact O-N 3.4Å; H41-S45 PolarHBondContact O-OG 3.24Å; H41-H90 AromaticContact ND1-CD2 3.86Å; H41-H90 AromaticContact ND1-NE2 3.26Å; H41-H90 PolarHBondContact ND1-NE2 3.24Å
42	N	97.3	Very high	90	Very high	70 Å²	70	52.9 Å²	52.9	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-46.3	174.9	-174.8	-36	0	0	0	110.7	D38 R39 S45 K46	D38-N42 WeakPolarHBondContact O-CB 3.47Å; D38-N42 PolarHBondContact O-N 3.37Å; R39-N42 PolarHBondContact O-N 2.92Å; N42-S45 WeakPolarHBondContact O-CB 3.45Å; N42-S45 PolarHBondContact O-N 3.03Å; N42-K46 PolarHBondContact O-N 2.77Å; N42-K46 WeakPolarHBondContact OD1-CE 3.49Å; N42-K46 PolarHBondContact OD1-NZ 2.64Å
43	L	97.7	Very high	92.4	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-45.9	178.4	-170.1	70.1	0	0	0	111.7	R39 A40 S45 K46 Y47 V341 E351 L354 L358	R39-L43 WeakPolarHBondContact O-CB 3.49Å; R39-L43 PolarHBondContact O-N 3.45Å; A40-L43 PolarHBondContact O-N 3.24Å; L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.07Å; L43-K46 PolarHBondContact O-N 3.06Å; L43-K46 VanDerWaalsContact O-N 3.07Å; L43-Y47 HydrophobicContact CD1-CD2 3.61Å; L43-Y47 HydrophobicContact CD1-CE2 3.89Å; L43-Y47 HydrophobicContact CG-CD2 4.21Å; L43-Y47 PolarHBondContact O-N 2.89Å; L43-V341 HydrophobicContact CD2-CG1 3.98Å; L43-E351 HydrophobicContact CD1-CB 3.91Å; L43-E351 HydrophobicContact CD1-CG 4.11Å; L43-L354 HydrophobicContact CD2-CB 3.41Å; L43-L354 VanDerWaalsContact CD2-CB 3.41Å; L43-L354 HydrophobicContact CD2-CD1 3.68Å; L43-L354 HydrophobicContact CD2-CG 4.18Å; L43-L358 HydrophobicContact CD2-CD1 4.06Å; L43-L358 HydrophobicContact CG-CD1 4.21Å
44	L	98.3	Very high	94.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-28.8	176.9	-78.1	171	0	0	0	113.6	A40 H41 K46 Y47 P48 V49 H90 P338 V341 L358	A40-L44 WeakPolarHBondContact O-CB 3.08Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.33Å; H41-L44 PolarHBondContact O-N 3.13Å; L44-K46 VanDerWaalsContact C-N 3.31Å; L44-Y47 CarbonylContact O-C 3.58Å; L44-P48 WeakPolarHBondContact O-CA 3.44Å; L44-P48 WeakPolarHBondContact O-CB 3.35Å; L44-P48 WeakPolarHBondContact O-CD 3.46Å; L44-V49 HydrophobicContact CD2-CG2 3.58Å; L44-H90 HydrophobicContact CB-CB 3.68Å; L44-H90 HydrophobicContact CD1-CB 4.3Å; L44-H90 HydrophobicContact CD2-CB 4.17Å; L44-H90 HydrophobicContact CG-CB 4.29Å; L44-P338 HydrophobicContact CD1-CB 3.86Å; L44-P338 HydrophobicContact CD1-CG 3.63Å; L44-V341 HydrophobicContact CD1-CG2 4.08Å; L44-V341 HydrophobicContact CD2-CG2 4Å; L44-V341 HydrophobicContact CG-CG2 4.01Å; L44-L358 HydrophobicContact CD2-CD1 4.07Å; L44-L358 HydrophobicContact CD2-CD2 3.6Å; L44-L358 HydrophobicContact CD2-CG 4.49Å
45	S	97	Very high	96.5	Very high	80 Å²	80	38.4 Å²	38.4	56%	0.559	19%	0.19	S	C	*	.	H	α-helix	trans	-69.5	-31.4	173.5	-57.4	0	0	0	0	112	H41 N42 L43	H41-S45 WeakPolarHBondContact O-CB 3.35Å; H41-S45 PolarHBondContact O-N 3.4Å; H41-S45 PolarHBondContact O-OG 3.24Å; N42-S45 WeakPolarHBondContact O-CB 3.45Å; N42-S45 PolarHBondContact O-N 3.03Å; L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.07Å
46	K	97.1	Very high	97	Very high	107 Å²	107	36 Å²	36	47%	0.465	17%	0.174	S	C	.	.	H	α-helix	trans	-82.5	-41.8	175.9	-66.7	169.4	178.1	163.3	0	112	N42 L43 L44 P48	N42-K46 PolarHBondContact O-N 2.77Å; N42-K46 WeakPolarHBondContact OD1-CE 3.49Å; N42-K46 PolarHBondContact OD1-NZ 2.64Å; L43-K46 PolarHBondContact O-N 3.06Å; L43-K46 VanDerWaalsContact O-N 3.07Å; L44-K46 VanDerWaalsContact C-N 3.31Å; K46-P48 VanDerWaalsContact C-CD 3.49Å; K46-P48 WeakPolarHBondContact O-CD 3.43Å
47	Y	98	Very high	97.6	Very high	83 Å²	83	33.5 Å²	33.5	33%	0.325	16%	0.162	S	C	.	.	S	Bend	trans	-127.2	72.1	-176.1	-51.6	-75	0	0	0	109.6	L43 L44 A355 L358 R359	L43-Y47 HydrophobicContact CD1-CD2 3.61Å; L43-Y47 HydrophobicContact CD1-CE2 3.89Å; L43-Y47 HydrophobicContact CG-CD2 4.21Å; L43-Y47 PolarHBondContact O-N 2.89Å; L44-Y47 CarbonylContact O-C 3.58Å; Y47-A355 HydrophobicContact CD1-CB 3.78Å; Y47-A355 HydrophobicContact CD2-CB 3.62Å; Y47-A355 HydrophobicContact CE1-CB 3.84Å; Y47-A355 HydrophobicContact CE2-CB 3.67Å; Y47-A355 HydrophobicContact CG-CB 3.66Å; Y47-L358 WeakPolarHBondContact O-CD1 3.25Å; Y47-R359 HydrophobicContact CD1-CG 4.49Å
48	P	98.2	Very high	97.8	Very high	15 Å²	15	28.8 Å²	28.8	10%	0.097	14%	0.142	C	C	.	.			trans	-64	152.9	177.7	26.8	-37.1	0	0	0	111.4	L44 K46 H90 Q92 M143 R359	L44-P48 WeakPolarHBondContact O-CA 3.44Å; L44-P48 WeakPolarHBondContact O-CB 3.35Å; L44-P48 WeakPolarHBondContact O-CD 3.46Å; K46-P48 VanDerWaalsContact C-CD 3.49Å; K46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-H90 CarbonylContact C-O 3.53Å; P48-H90 WeakPolarHBondContact CA-O 3.47Å; P48-H90 WeakPolarHBondContact CB-O 3.44Å; P48-Q92 HydrophobicContact CB-CB 3.53Å; P48-Q92 HydrophobicContact CG-CB 3.47Å; P48-Q92 VanDerWaalsContact CG-CB 3.47Å; P48-Q92 HydrophobicContact CG-CG 4.09Å; P48-M143 HydrophobicContact CG-CE 3.81Å; P48-R359 VanDerWaalsContact CD-NH1 3.27Å; P48-R359 VanDerWaalsContact CG-NH1 3.33Å
49	V	98.8	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	136	-169.3	-177.8	0	0	0	0	110.9	L44 D51 H90 V91 Q92 T93 I317 Y337 L358	L44-V49 HydrophobicContact CD2-CG2 3.58Å; V49-D51 HydrophobicContact CG1-CB 4.26Å; V49-H90 PolarHBondContact N-O 2.84Å; V49-V91 HydrophobicContact CB-CG2 4.42Å; V49-Q92 PolarHBondContact O-N 2.94Å; V49-T93 PolarHBondContact O-N 3.4Å; V49-T93 VanDerWaalsContact O-N 3.11Å; V49-I317 HydrophobicContact CG1-CD1 4.33Å; V49-I317 HydrophobicContact CG1-CG2 4.33Å; V49-Y337 HydrophobicContact CG1-CD1 4.08Å; V49-Y337 HydrophobicContact CG1-CE1 4.09Å; V49-Y337 HydrophobicContact CG1-CG 4.4Å; V49-Y337 HydrophobicContact CG2-CD1 4.26Å; V49-Y337 HydrophobicContact CG2-CD2 4.41Å; V49-Y337 HydrophobicContact CG2-CG 3.94Å; V49-L358 HydrophobicContact CG2-CD2 3.79Å
50	I	98.9	Very high	98.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.3	155.1	-57	-172.1	0	0	0	107.6	T93 L358 R359 F362 L363	I50-T93 WeakPolarHBondContact CA-O 3.32Å; I50-T93 HydrophobicContact CG2-CG2 4.04Å; I50-L358 PolarHBondContact N-O 3.25Å; I50-R359 HydrophobicContact CD1-CB 3.79Å; I50-R359 HydrophobicContact CG1-CB 3.77Å; I50-F362 HydrophobicContact CD1-CB 4.4Å; I50-F362 HydrophobicContact CD1-CD1 3.86Å; I50-F362 HydrophobicContact CD1-CG 4.45Å; I50-F362 HydrophobicContact CG2-CB 4.2Å; I50-F362 HydrophobicContact CG2-CD1 3.69Å; I50-F362 HydrophobicContact CG2-CD2 4.2Å; I50-F362 HydrophobicContact CG2-CE1 4.08Å; I50-F362 HydrophobicContact CG2-CG 3.75Å; I50-L363 HydrophobicContact CD1-CD2 4.1Å; I50-L363 HydrophobicContact CD1-CG 4Å
51	D	98.9	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129	175.2	-174.7	-70.9	0	0	0	110.4	V49 H53 T93 Q94 M95 I317 G319 Y337	V49-D51 HydrophobicContact CG1-CB 4.26Å; D51-H53 PolarHBondContact OD1-N 3.06Å; D51-H53 VanDerWaalsContact OD1-O 3.06Å; D51-T93 PolarHBondContact N-O 2.95Å; D51-Q94 PolarHBondContact O-NE2 3.1Å; D51-Q94 PolarHBondContact OD1-NE2 2.98Å; D51-M95 WeakPolarHBondContact O-CB 3.42Å; D51-M95 PolarHBondContact O-N 3.32Å; D51-I317 WeakPolarHBondContact CA-O 3.15Å; D51-G319 PolarHBondContact OD2-N 3.13Å; D51-Y337 PolarHBondContact OD2-OH 3.45Å
52	G	98.6	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-12.7	-173.2	0	0	0	0	0	115.8	M95 I317	G52-M95 WeakPolarHBondContact O-CE 3.4Å; G52-I317 PolarHBondContact N-O 3.37Å
53	H	98.9	Very high	97.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	118.9	-175.6	-160.5	95.9	0	0	0	113	D51 A97 E155 H251 D320	D51-H53 PolarHBondContact OD1-N 3.06Å; D51-H53 VanDerWaalsContact OD1-O 3.06Å; H53-A97 WeakPolarHBondContact NE2-CB 3.33Å; H53-E155 VanDerWaalsContact CE1-CD 3.44Å; H53-E155 IonicContact CE1-OE1 3.92Å; H53-E155 IonicContact CE1-OE2 3.55Å; H53-E155 IonicContact NE2-OE1 3.16Å; H53-E155 IonicContact NE2-OE2 3.26Å; H53-H251 HydrophobicContact CB-CB 3.78Å; H53-H251 AromaticContact CD2-ND1 3.95Å; H53-H251 AromaticContact CE1-CE1 3.45Å; H53-H251 PolarHBondContact CE1-CE1 2.96Å; H53-H251 VanDerWaalsContact CE1-CE1 3.45Å; H53-H251 AromaticContact CE1-ND1 3.64Å; H53-H251 AromaticContact CG-CE1 3.92Å; H53-H251 AromaticContact CG-CG 3.72Å; H53-H251 AromaticContact CG-ND1 3.34Å; H53-H251 VanDerWaalsContact CG-ND1 3.34Å; H53-H251 AromaticContact ND1-CE1 3.44Å; H53-H251 PolarHBondContact ND1-CE1 3.45Å; H53-H251 AromaticContact ND1-CG 3.97Å; H53-H251 AromaticContact ND1-ND1 3.13Å; H53-H251 PolarHBondContact ND1-ND1 3.12Å; H53-H251 VanDerWaalsContact ND1-ND1 3.13Å; H53-H251 AromaticContact NE2-CE1 3.98Å; H53-D320 IonicContact CD2-OD1 3.54Å; H53-D320 WeakPolarHBondContact O-CA 3.29Å; H53-D320 PolarHBondContact O-N 3.01Å
54	N	98.8	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	130.7	175.9	-176.1	-58.3	0	0	0	111.5	L56 T81 Q94 M95 F96 A97	N54-L56 WeakPolarHBondContact OD1-CB 3.41Å; N54-L56 PolarHBondContact OD1-N 3.02Å; N54-T81 PolarHBondContact ND2-OG1 2.99Å; N54-T81 PolarHBondContact OD1-OG1 2.74Å; N54-Q94 HydrophobicContact CB-CG 3.86Å; N54-Q94 PolarHBondContact ND2-OE1 2.84Å; N54-M95 PolarHBondContact N-O 2.81Å; N54-F96 HydrophobicContact CB-CD1 4.47Å; N54-A97 WeakPolarHBondContact O-CB 3.45Å; N54-A97 PolarHBondContact O-N 2.75Å
55	D	98.6	Very high	97.7	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	17%	0.174	C	C	.	.			trans	-98.7	19.7	-167.9	-117.4	-33.6	0	0	0	113.3	A57 L58 R59 F321 D322 G323	D55-A57 PolarHBondContact O-N 2.74Å; D55-A57 VanDerWaalsContact O-N 3.11Å; D55-L58 WeakPolarHBondContact O-CB 3.26Å; D55-L58 PolarHBondContact O-N 3.31Å; D55-R59 PolarHBondContact O-N 3.08Å; D55-F321 PolarHBondContact N-O 3.34Å; D55-D322 VanDerWaalsContact CB-C 3.44Å; D55-D322 HydrophobicContact CB-CB 4.16Å; D55-G323 VanDerWaalsContact CB-CA 3.49Å; D55-G323 VanDerWaalsContact CB-N 3.25Å; D55-G323 WeakPolarHBondContact OD2-CA 3.23Å
56	L	98.5	Very high	97.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-51.2	-39.5	179.2	176.9	60.6	0	0	0	111.9	N54 L58 R59 L60 L73 L76 V79 T81 F96	N54-L56 WeakPolarHBondContact OD1-CB 3.41Å; N54-L56 PolarHBondContact OD1-N 3.02Å; L56-L58 VanDerWaalsContact C-N 3.29Å; L56-L58 PolarHBondContact O-N 2.71Å; L56-R59 WeakPolarHBondContact O-CB 3.46Å; L56-R59 PolarHBondContact O-N 3.38Å; L56-R59 VanDerWaalsContact O-N 3.09Å; L56-L60 HydrophobicContact CD1-CD2 4.34Å; L56-L60 HydrophobicContact CD1-CG 4.14Å; L56-L60 HydrophobicContact CG-CD1 4.18Å; L56-L60 HydrophobicContact CG-CG 4.23Å; L56-L60 WeakPolarHBondContact O-CG 3.37Å; L56-L60 PolarHBondContact O-N 3Å; L56-L73 HydrophobicContact CD2-CD1 4.17Å; L56-L76 HydrophobicContact CD1-CD1 4.18Å; L56-V79 HydrophobicContact CD1-CB 4.26Å; L56-V79 HydrophobicContact CD1-CG1 4.19Å; L56-V79 HydrophobicContact CD1-CG2 4.3Å; L56-T81 HydrophobicContact CD2-CG2 3.93Å; L56-F96 HydrophobicContact CB-CD1 4.34Å; L56-F96 HydrophobicContact CB-CE1 4.17Å; L56-F96 HydrophobicContact CD2-CE1 4Å
57	A	98.1	Very high	97.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-37.5	178.8	0	0	0	0	0	112.7	D55 L60 R61 Q116 V119 I120	D55-A57 PolarHBondContact O-N 2.74Å; D55-A57 VanDerWaalsContact O-N 3.11Å; A57-L60 PolarHBondContact O-N 3.4Å; A57-R61 PolarHBondContact O-N 3.11Å; A57-R61 VanDerWaalsContact O-N 3.12Å; A57-Q116 PolarHBondContact O-NE2 3.06Å; A57-V119 HydrophobicContact CB-CG1 4.23Å; A57-I120 HydrophobicContact CB-CD1 3.79Å; A57-I120 HydrophobicContact CB-CG1 3.63Å
58	L	97.9	Very high	97.6	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.089	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-45.3	173.6	179.7	69.2	0	0	0	110.6	D55 L56 L60 R61 I62 Y99 L101	D55-L58 WeakPolarHBondContact O-CB 3.26Å; D55-L58 PolarHBondContact O-N 3.31Å; L56-L58 VanDerWaalsContact C-N 3.29Å; L56-L58 PolarHBondContact O-N 2.71Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 3.31Å; L58-R61 WeakPolarHBondContact O-CB 3.37Å; L58-R61 PolarHBondContact O-N 3.31Å; L58-I62 HydrophobicContact CD1-CD1 4.15Å; L58-I62 HydrophobicContact CD2-CD1 4.3Å; L58-I62 HydrophobicContact CG-CD1 3.84Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.42Å; L58-Y99 HydrophobicContact CD1-CD1 3.87Å; L58-Y99 HydrophobicContact CD1-CE1 4.37Å; L58-Y99 HydrophobicContact CD2-CD1 3.67Å; L58-Y99 HydrophobicContact CD2-CE1 4.07Å; L58-Y99 HydrophobicContact CG-CD1 4.24Å; L58-L101 HydrophobicContact CD1-CD1 4.31Å
59	R	97.6	Very high	97.5	Very high	56 Å²	56	32.8 Å²	32.8	21%	0.211	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-38.9	178.3	-65.2	-64.5	174.4	-177.1	-5.5	112.4	D55 L56 R61 I62 H63 V79 D322	D55-R59 PolarHBondContact O-N 3.08Å; L56-R59 WeakPolarHBondContact O-CB 3.46Å; L56-R59 PolarHBondContact O-N 3.38Å; L56-R59 VanDerWaalsContact O-N 3.09Å; R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 3.48Å; R59-I62 PolarHBondContact O-N 2.59Å; R59-H63 WeakPolarHBondContact O-CB 3.47Å; R59-H63 PolarHBondContact O-CD2 2.96Å; R59-H63 PolarHBondContact O-N 3.16Å; R59-V79 HydrophobicContact CB-CG1 3.62Å; R59-V79 HydrophobicContact CG-CG1 4.04Å; R59-D322 HydrophobicContact CG-CB 3.7Å; R59-D322 VanDerWaalsContact CZ-O 3.22Å; R59-D322 PolarHBondContact NE-O 3.16Å; R59-D322 PolarHBondContact NH2-O 3.36Å
60	L	97.3	Very high	97.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-37.4	175.5	-67	-179	0	0	0	112.1	L56 A57 L58 Y64 N65 N66 L68 I71 L76 I123	L56-L60 HydrophobicContact CD1-CD2 4.34Å; L56-L60 HydrophobicContact CD1-CG 4.14Å; L56-L60 HydrophobicContact CG-CD1 4.18Å; L56-L60 HydrophobicContact CG-CG 4.23Å; L56-L60 WeakPolarHBondContact O-CG 3.37Å; L56-L60 PolarHBondContact O-N 3Å; A57-L60 PolarHBondContact O-N 3.4Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 3.31Å; L60-Y64 HydrophobicContact CD2-CD2 3.89Å; L60-Y64 HydrophobicContact CD2-CE2 4.26Å; L60-Y64 CarbonylContact O-C 3.28Å; L60-Y64 WeakPolarHBondContact O-CA 3.15Å; L60-Y64 WeakPolarHBondContact O-CB 3.49Å; L60-Y64 PolarHBondContact O-N 3.35Å; L60-N65 PolarHBondContact O-N 3.23Å; L60-N66 PolarHBondContact O-N 2.96Å; L60-L68 HydrophobicContact CD1-CD2 4.14Å; L60-I71 HydrophobicContact CD1-CD1 4.42Å; L60-I71 HydrophobicContact CD2-CD1 3.47Å; L60-I71 VanDerWaalsContact CD2-CD1 3.47Å; L60-L76 HydrophobicContact CD2-CD1 4.02Å; L60-I123 HydrophobicContact CD1-CD1 3.35Å; L60-I123 HydrophobicContact CD1-CG1 4.47Å
61	R	96.9	Very high	96.9	Very high	58 Å²	58	40.2 Å²	40.2	22%	0.219	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-52.2	173.1	-166.7	-173.4	-175.7	76.9	9.3	111.3	A57 L58 R59 H63 N65 N66 E115	A57-R61 PolarHBondContact O-N 3.11Å; A57-R61 VanDerWaalsContact O-N 3.12Å; L58-R61 WeakPolarHBondContact O-CB 3.37Å; L58-R61 PolarHBondContact O-N 3.31Å; R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 3.48Å; R61-H63 PolarHBondContact O-N 3.26Å; R61-N65 WeakPolarHBondContact O-CA 3.39Å; R61-N65 PolarHBondContact O-N 3.48Å; R61-N66 WeakPolarHBondContact CA-OD1 3.36Å; R61-N66 WeakPolarHBondContact CB-OD1 3.46Å; R61-N66 PolarHBondContact N-OD1 2.92Å; R61-E115 IonicContact CZ-OE2 2.66Å; R61-E115 IonicContact NH1-OE2 3.46Å; R61-E115 PolarHBondContact NH1-OE2 3.49Å; R61-E115 IonicContact NH2-OE2 3.73Å; R61-E115 PolarHBondContact NH2-OE2 2.91Å
62	I	96.1	Very high	96.7	Very high	101 Å²	101	44.8 Å²	44.8	52%	0.518	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-45.5	-176.4	-68.6	170.3	0	0	0	111.5	L58 R59	L58-I62 HydrophobicContact CD1-CD1 4.15Å; L58-I62 HydrophobicContact CD2-CD1 4.3Å; L58-I62 HydrophobicContact CG-CD1 3.84Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.42Å; R59-I62 PolarHBondContact O-N 2.59Å
63	H	95.7	Very high	96.5	Very high	68 Å²	68	44.8 Å²	44.8	32%	0.315	22%	0.224	S	C	.	.	H	α-helix	trans	-91.9	-26.7	-170.3	-62.8	-47.5	0	0	0	113.9	R59 R61	R59-H63 WeakPolarHBondContact O-CB 3.47Å; R59-H63 PolarHBondContact O-CD2 2.96Å; R59-H63 PolarHBondContact O-N 3.16Å; R61-H63 PolarHBondContact O-N 3.26Å
64	Y	95.9	Very high	96.3	Very high	55 Å²	55	47 Å²	47	22%	0.216	24%	0.237	C	C	.	.	H	α-helix	trans	-132.9	2.4	-170.8	-52.1	-75	0	0	0	113.6	L60 N66 Q67 I71	L60-Y64 HydrophobicContact CD2-CD2 3.89Å; L60-Y64 HydrophobicContact CD2-CE2 4.26Å; L60-Y64 CarbonylContact O-C 3.28Å; L60-Y64 WeakPolarHBondContact O-CA 3.15Å; L60-Y64 WeakPolarHBondContact O-CB 3.49Å; L60-Y64 PolarHBondContact O-N 3.35Å; Y64-N66 PolarHBondContact O-N 3.39Å; Y64-Q67 WeakPolarHBondContact O-CB 3.5Å; Y64-Q67 PolarHBondContact O-N 3.22Å; Y64-Q67 VanDerWaalsContact O-N 3.07Å; Y64-I71 HydrophobicContact CD1-CG2 3.38Å; Y64-I71 HydrophobicContact CD2-CG2 3.75Å; Y64-I71 HydrophobicContact CE1-CG2 3.66Å; Y64-I71 HydrophobicContact CE2-CG2 4.01Å; Y64-I71 HydrophobicContact CG-CG2 3.43Å; Y64-I71 VanDerWaalsContact CG-CG2 3.43Å
65	N	96.6	Very high	96.1	Very high	106 Å²	106	52.9 Å²	52.9	57%	0.567	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	41.8	-176.1	-164.3	51.5	0	0	0	111.8	L60 R61 Q67	L60-N65 PolarHBondContact O-N 3.23Å; R61-N65 WeakPolarHBondContact O-CA 3.39Å; R61-N65 PolarHBondContact O-N 3.48Å; N65-Q67 PolarHBondContact O-N 3.05Å; N65-Q67 VanDerWaalsContact O-N 3.08Å
66	N	97.4	Very high	95.8	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.08	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	17.5	-179	-65.3	-12.2	0	0	0	116.2	L60 R61 Y64 L68 Q116 V119 R122	L60-N66 PolarHBondContact O-N 2.96Å; R61-N66 WeakPolarHBondContact CA-OD1 3.36Å; R61-N66 WeakPolarHBondContact CB-OD1 3.46Å; R61-N66 PolarHBondContact N-OD1 2.92Å; Y64-N66 PolarHBondContact O-N 3.39Å; N66-L68 PolarHBondContact O-N 3.47Å; N66-L68 VanDerWaalsContact O-N 3.09Å; N66-Q116 PolarHBondContact ND2-OE1 3.31Å; N66-V119 HydrophobicContact CB-CB 4.05Å; N66-V119 HydrophobicContact CB-CG2 3.85Å; N66-R122 PolarHBondContact O-NH2 3.47Å
67	Q	96.9	Very high	95.3	Very high	73 Å²	73	57.9 Å²	57.9	34%	0.341	30%	0.295	S	S	.	.			trans	-82.3	82.7	177.5	-69.8	169.3	75.1	0	0	111.3	Y64 N65 S69 K70	Y64-Q67 WeakPolarHBondContact O-CB 3.5Å; Y64-Q67 PolarHBondContact O-N 3.22Å; Y64-Q67 VanDerWaalsContact O-N 3.07Å; N65-Q67 PolarHBondContact O-N 3.05Å; N65-Q67 VanDerWaalsContact O-N 3.08Å; Q67-S69 PolarHBondContact O-N 3.34Å; Q67-K70 HydrophobicContact CB-CD 3.98Å; Q67-K70 HydrophobicContact CB-CG 4.19Å; Q67-K70 WeakPolarHBondContact O-CB 3.31Å; Q67-K70 PolarHBondContact O-N 2.67Å
68	L	95.9	Very high	94.9	Very high	7 Å²	7	67.2 Å²	67.2	4%	0.037	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-59.6	-27.1	-178.2	-60.1	-178.5	0	0	0	113.7	L60 N66 K70 I71 V119 R122 I123 Y127	L60-L68 HydrophobicContact CD1-CD2 4.14Å; N66-L68 PolarHBondContact O-N 3.47Å; N66-L68 VanDerWaalsContact O-N 3.09Å; L68-K70 PolarHBondContact O-N 3.47Å; L68-K70 VanDerWaalsContact O-N 3.1Å; L68-I71 HydrophobicContact CD2-CD1 3.74Å; L68-I71 HydrophobicContact CD2-CG1 4.47Å; L68-I71 WeakPolarHBondContact O-CG1 3.31Å; L68-I71 PolarHBondContact O-N 3.41Å; L68-V119 HydrophobicContact CD1-CG2 4.29Å; L68-V119 HydrophobicContact CD2-CG2 3.81Å; L68-V119 HydrophobicContact CG-CG2 4.13Å; L68-R122 HydrophobicContact CD1-CB 3.67Å; L68-R122 VanDerWaalsContact CD1-NH1 3.31Å; L68-I123 HydrophobicContact CD1-CG1 3.79Å; L68-I123 HydrophobicContact CD2-CD1 4.22Å; L68-I123 HydrophobicContact CD2-CG1 3.92Å; L68-Y127 HydrophobicContact CD1-CE2 4.32Å
69	S	94.9	Very high	94.9	Very high	119 Å²	119	67 Å²	67	83%	0.832	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.9	-13.9	174.9	57.9	0	0	0	0	114.3	Q67	Q67-S69 PolarHBondContact O-N 3.34Å
70	K	92.8	Very high	94.8	Very high	137 Å²	137	64.9 Å²	64.9	60%	0.596	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-98.2	0.2	179.7	-65.5	-177.2	170.2	172.9	0	113.5	Q67 L68	Q67-K70 HydrophobicContact CB-CD 3.98Å; Q67-K70 HydrophobicContact CB-CG 4.19Å; Q67-K70 WeakPolarHBondContact O-CB 3.31Å; Q67-K70 PolarHBondContact O-N 2.67Å; L68-K70 PolarHBondContact O-N 3.47Å; L68-K70 VanDerWaalsContact O-N 3.1Å
71	I	93.1	Very high	94.9	Very high	22 Å²	22	64.8 Å²	64.8	11%	0.113	32%	0.324	C	S	.	.			trans	-130	153	-173.5	72.8	178.5	0	0	0	111.6	L60 Y64 L68 L76	L60-I71 HydrophobicContact CD1-CD1 4.42Å; L60-I71 HydrophobicContact CD2-CD1 3.47Å; L60-I71 VanDerWaalsContact CD2-CD1 3.47Å; Y64-I71 HydrophobicContact CD1-CG2 3.38Å; Y64-I71 HydrophobicContact CD2-CG2 3.75Å; Y64-I71 HydrophobicContact CE1-CG2 3.66Å; Y64-I71 HydrophobicContact CE2-CG2 4.01Å; Y64-I71 HydrophobicContact CG-CG2 3.43Å; Y64-I71 VanDerWaalsContact CG-CG2 3.43Å; L68-I71 HydrophobicContact CD2-CD1 3.74Å; L68-I71 HydrophobicContact CD2-CG1 4.47Å; L68-I71 WeakPolarHBondContact O-CG1 3.31Å; L68-I71 PolarHBondContact O-N 3.41Å; I71-L76 HydrophobicContact CB-CD2 3.86Å; I71-L76 HydrophobicContact CD1-CD2 4.3Å; I71-L76 HydrophobicContact CG1-CD2 4.39Å
72	N	93.6	Very high	95	Very high	95 Å²	95	62.4 Å²	62.4	51%	0.508	32%	0.315	S	S	.	.			trans	-106.5	104.6	166.8	-177.1	-10.3	0	0	0	108.8	T74 H75 L76	N72-T74 PolarHBondContact O-N 2.97Å; N72-T74 VanDerWaalsContact O-N 3.16Å; N72-T74 WeakPolarHBondContact OD1-CB 3.44Å; N72-T74 PolarHBondContact OD1-N 2.78Å; N72-T74 PolarHBondContact OD1-OG1 2.94Å; N72-H75 CarbonylContact O-C 3.37Å; N72-H75 VanDerWaalsContact O-C 3.26Å; N72-H75 PolarHBondContact O-N 2.99Å; N72-L76 WeakPolarHBondContact O-CD2 3.16Å
73	L	94.8	Very high	95.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.6	-178	-163.9	60.3	0	0	0	113.3	L56 H75 L76 D82 I83 I123 Y127 F130	L56-L73 HydrophobicContact CD2-CD1 4.17Å; L73-H75 VanDerWaalsContact C-N 3.33Å; L73-L76 HydrophobicContact CD1-CD1 3.54Å; L73-L76 HydrophobicContact CD1-CG 4.33Å; L73-D82 WeakPolarHBondContact O-CB 3.41Å; L73-I83 HydrophobicContact CB-CD1 4.09Å; L73-I83 HydrophobicContact CD2-CD1 4.41Å; L73-I83 HydrophobicContact CG-CD1 4.15Å; L73-I83 HydrophobicContact CG-CG1 4.2Å; L73-I83 WeakPolarHBondContact O-CG1 3.26Å; L73-I83 PolarHBondContact O-N 2.93Å; L73-I123 HydrophobicContact CD2-CB 4.31Å; L73-I123 HydrophobicContact CD2-CG1 4.11Å; L73-I123 HydrophobicContact CD2-CG2 3.44Å; L73-I123 VanDerWaalsContact CD2-CG2 3.44Å; L73-Y127 HydrophobicContact CB-CD1 3.89Å; L73-Y127 HydrophobicContact CB-CE1 3.41Å; L73-Y127 VanDerWaalsContact CB-CE1 3.41Å; L73-Y127 HydrophobicContact CD2-CD1 4.13Å; L73-Y127 HydrophobicContact CD2-CD2 4.08Å; L73-Y127 HydrophobicContact CD2-CE1 4.19Å; L73-Y127 HydrophobicContact CD2-CE2 4.12Å; L73-Y127 HydrophobicContact CD2-CG 4.07Å; L73-Y127 HydrophobicContact CG-CE1 4.46Å; L73-F130 HydrophobicContact CD2-CD2 4.3Å; L73-F130 HydrophobicContact CD2-CE2 3.6Å; L73-F130 HydrophobicContact CD2-CZ 4.44Å; L73-F130 HydrophobicContact CG-CE2 4.32Å
74	T	95.6	Very high	95.2	Very high	47 Å²	47	56.4 Å²	56.4	29%	0.288	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-34.7	173.6	-50.7	0	0	0	0	112.1	N72 S84	N72-T74 PolarHBondContact O-N 2.97Å; N72-T74 VanDerWaalsContact O-N 3.16Å; N72-T74 WeakPolarHBondContact OD1-CB 3.44Å; N72-T74 PolarHBondContact OD1-N 2.78Å; N72-T74 PolarHBondContact OD1-OG1 2.94Å; T74-S84 WeakPolarHBondContact CG2-OG 3.22Å; T74-S84 WeakPolarHBondContact O-CB 3.3Å; T74-S84 PolarHBondContact O-N 3.2Å; T74-S84 PolarHBondContact O-OG 2.85Å
75	H	93.6	Very high	95.3	Very high	125 Å²	125	55.7 Å²	55.7	58%	0.579	29%	0.286	S	S	*	.	S	Bend	trans	-145	104.6	179.6	-63.3	-62.3	0	0	0	109.7	N72 L73 S84	N72-H75 CarbonylContact O-C 3.37Å; N72-H75 VanDerWaalsContact O-C 3.26Å; N72-H75 PolarHBondContact O-N 2.99Å; L73-H75 VanDerWaalsContact C-N 3.33Å; H75-S84 PolarHBondContact CE1-OG 3.16Å; H75-S84 PolarHBondContact ND1-OG 3.49Å
76	L	93.3	Very high	95.4	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.068	26%	0.259	C	S	.	.			trans	-108.8	136.7	176.7	-68.8	179.9	0	0	0	110.8	L56 L60 I71 N72 L73 V79 D82 R85	L56-L76 HydrophobicContact CD1-CD1 4.18Å; L60-L76 HydrophobicContact CD2-CD1 4.02Å; I71-L76 HydrophobicContact CB-CD2 3.86Å; I71-L76 HydrophobicContact CD1-CD2 4.3Å; I71-L76 HydrophobicContact CG1-CD2 4.39Å; N72-L76 WeakPolarHBondContact O-CD2 3.16Å; L73-L76 HydrophobicContact CD1-CD1 3.54Å; L73-L76 HydrophobicContact CD1-CG 4.33Å; L76-V79 HydrophobicContact CB-CG2 3.33Å; L76-V79 HydrophobicContact CD1-CG2 3.97Å; L76-V79 HydrophobicContact CG-CG2 4.32Å; L76-D82 HydrophobicContact CB-CB 4.26Å; L76-D82 HydrophobicContact CG-CB 4.42Å; L76-D82 PolarHBondContact N-OD2 3Å; L76-R85 PolarHBondContact O-NH2 3.32Å
77	T	88.3	Confident	95.5	Very high	99 Å²	99	54.5 Å²	54.5	61%	0.607	27%	0.273	S	S	*	.	S	Bend	trans	-89.9	152.8	168.5	65.3	0	0	0	0	109.3	V79	T77-V79 VanDerWaalsContact C-N 3.3Å; T77-V79 PolarHBondContact O-N 2.88Å
78	R	89.8	Confident	95.5	Very high	198 Å²	198	53.5 Å²	53.5	75%	0.747	28%	0.277	S	S	*	.	S	Bend	trans	72.5	10.9	176.8	-47.4	175.5	176.2	-177.1	-2.4	116.7
79	V	96	Very high	95.7	Very high	12 Å²	12	53.2 Å²	53.2	7%	0.073	28%	0.275	C	S	.	.	S	Bend	trans	-130.3	158.2	174.6	-63.4	0	0	0	0	109.8	L56 R59 L76 T77 T81 R85 D322	L56-V79 HydrophobicContact CD1-CB 4.26Å; L56-V79 HydrophobicContact CD1-CG1 4.19Å; L56-V79 HydrophobicContact CD1-CG2 4.3Å; R59-V79 HydrophobicContact CB-CG1 3.62Å; R59-V79 HydrophobicContact CG-CG1 4.04Å; L76-V79 HydrophobicContact CB-CG2 3.33Å; L76-V79 HydrophobicContact CD1-CG2 3.97Å; L76-V79 HydrophobicContact CG-CG2 4.32Å; T77-V79 VanDerWaalsContact C-N 3.3Å; T77-V79 PolarHBondContact O-N 2.88Å; V79-T81 VanDerWaalsContact C-N 3.32Å; V79-T81 WeakPolarHBondContact CG2-O 3.38Å; V79-R85 VanDerWaalsContact O-CZ 3.24Å; V79-R85 PolarHBondContact O-NH1 3.16Å; V79-R85 PolarHBondContact O-NH2 3.19Å; V79-D322 WeakPolarHBondContact CA-OD1 3.48Å; V79-D322 VanDerWaalsContact CB-OD1 3.25Å; V79-D322 WeakPolarHBondContact CB-OD1 3.46Å
80	A	97.5	Very high	95.8	Very high	11 Å²	11	49.8 Å²	49.8	9%	0.091	25%	0.246	C	C	.	.	S	Bend	trans	-82.3	-12.2	171.8	0	0	0	0	0	112.2	R85 F321 D322 D333 V334	A80-R85 VanDerWaalsContact C-NH1 3.27Å; A80-R85 VanDerWaalsContact CA-NH1 3.34Å; A80-R85 PolarHBondContact O-NH1 2.99Å; A80-F321 HydrophobicContact CB-CB 4.2Å; A80-F321 HydrophobicContact CB-CD1 3.88Å; A80-F321 HydrophobicContact CB-CG 4.42Å; A80-D322 PolarHBondContact N-OD1 3.12Å; A80-D322 PolarHBondContact N-OD2 3.49Å; A80-D333 HydrophobicContact CB-CB 4.29Å; A80-D333 VanDerWaalsContact O-CB 3.28Å; A80-D333 WeakPolarHBondContact O-CB 3.4Å; A80-V334 WeakPolarHBondContact O-CG2 3.48Å; A80-V334 PolarHBondContact O-N 2.66Å
81	T	98.5	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.			trans	-125	128.5	-171.4	-46.5	0	0	0	0	112.8	N54 L56 V79 L86 D322 V334	N54-T81 PolarHBondContact ND2-OG1 2.99Å; N54-T81 PolarHBondContact OD1-OG1 2.74Å; L56-T81 HydrophobicContact CD2-CG2 3.93Å; V79-T81 VanDerWaalsContact C-N 3.32Å; V79-T81 WeakPolarHBondContact CG2-O 3.38Å; T81-L86 HydrophobicContact CG2-CD1 3.93Å; T81-L86 HydrophobicContact CG2-CD2 3.97Å; T81-L86 HydrophobicContact CG2-CG 3.93Å; T81-D322 WeakPolarHBondContact CB-OD2 3.41Å; T81-D322 PolarHBondContact N-OD2 3.46Å; T81-D322 PolarHBondContact OG1-OD2 3.37Å; T81-V334 HydrophobicContact CG2-CG1 4.11Å; T81-V334 HydrophobicContact CG2-CG2 4.16Å; T81-V334 WeakPolarHBondContact OG1-CG1 3.4Å
82	D	98.1	Very high	96.3	Very high	7 Å²	7	43 Å²	43	4%	0.037	22%	0.216	C	C	.	.			trans	-152.4	170.9	163.9	56.7	47.2	0	0	0	109.3	L73 L76 S84 R85 L86	L73-D82 WeakPolarHBondContact O-CB 3.41Å; L76-D82 HydrophobicContact CB-CB 4.26Å; L76-D82 HydrophobicContact CG-CB 4.42Å; L76-D82 PolarHBondContact N-OD2 3Å; D82-S84 VanDerWaalsContact C-N 3.29Å; D82-S84 PolarHBondContact O-N 3.39Å; D82-S84 PolarHBondContact OD1-N 3.34Å; D82-R85 VanDerWaalsContact CG-NE 3.29Å; D82-R85 PolarHBondContact O-N 3.39Å; D82-R85 WeakPolarHBondContact OD1-CB 3.36Å; D82-R85 WeakPolarHBondContact OD1-CG 3.34Å; D82-R85 PolarHBondContact OD1-N 3.38Å; D82-R85 IonicContact OD1-NE 2.73Å; D82-R85 PolarHBondContact OD1-NE 2.96Å; D82-R85 IonicContact OD2-CZ 3.78Å; D82-R85 VanDerWaalsContact OD2-CZ 3.22Å; D82-R85 IonicContact OD2-NE 3.4Å; D82-R85 PolarHBondContact OD2-NE 3.1Å; D82-R85 IonicContact OD2-NH2 2.99Å; D82-R85 PolarHBondContact OD2-NH2 2.73Å; D82-L86 VanDerWaalsContact O-CG 3.32Å; D82-L86 WeakPolarHBondContact O-CG 3.48Å; D82-L86 PolarHBondContact O-N 3.22Å
83	I	98.3	Very high	96.6	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-45.6	-177.1	-63.3	161.7	0	0	0	110.6	L73 R85 L86 R87 Y127 D129 F130 I148	L73-I83 HydrophobicContact CB-CD1 4.09Å; L73-I83 HydrophobicContact CD2-CD1 4.41Å; L73-I83 HydrophobicContact CG-CD1 4.15Å; L73-I83 HydrophobicContact CG-CG1 4.2Å; L73-I83 WeakPolarHBondContact O-CG1 3.26Å; L73-I83 PolarHBondContact O-N 2.93Å; I83-R85 VanDerWaalsContact C-N 3.33Å; I83-R85 PolarHBondContact O-N 3.45Å; I83-L86 PolarHBondContact O-N 2.96Å; I83-R87 HydrophobicContact CG2-CG 4.21Å; I83-R87 VanDerWaalsContact O-CG 3.27Å; I83-R87 WeakPolarHBondContact O-CG 2.8Å; I83-R87 PolarHBondContact O-N 2.85Å; I83-Y127 HydrophobicContact CD1-CD1 4.22Å; I83-D129 HydrophobicContact CD1-CB 4Å; I83-D129 HydrophobicContact CG1-CB 4.23Å; I83-D129 HydrophobicContact CG2-CB 3.75Å; I83-D129 VanDerWaalsContact CG2-CG 3.49Å; I83-F130 HydrophobicContact CD1-CD2 4.46Å; I83-F130 HydrophobicContact CD1-CE2 3.85Å; I83-F130 HydrophobicContact CG1-CD2 4.34Å; I83-F130 HydrophobicContact CG1-CE2 3.39Å; I83-F130 HydrophobicContact CG1-CZ 3.79Å; I83-I148 HydrophobicContact CG2-CD1 4.43Å
84	S	98.3	Very high	96.8	Very high	39 Å²	39	38.5 Å²	38.5	27%	0.273	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-42.8	-176.1	-61	0	0	0	0	112.1	T74 H75 D82 A88	T74-S84 WeakPolarHBondContact CG2-OG 3.22Å; T74-S84 WeakPolarHBondContact O-CB 3.3Å; T74-S84 PolarHBondContact O-N 3.2Å; T74-S84 PolarHBondContact O-OG 2.85Å; H75-S84 PolarHBondContact CE1-OG 3.16Å; H75-S84 PolarHBondContact ND1-OG 3.49Å; D82-S84 VanDerWaalsContact C-N 3.29Å; D82-S84 PolarHBondContact O-N 3.39Å; D82-S84 PolarHBondContact OD1-N 3.34Å; S84-A88 WeakPolarHBondContact O-CB 3.39Å; S84-A88 PolarHBondContact O-N 2.93Å
85	R	98.6	Very high	96.9	Very high	39 Å²	39	36.3 Å²	36.3	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-71.1	-39	177.4	-73.3	-178.9	-80.2	173.3	0	112.2	L76 V79 A80 D82 I83 R87 A88 G89 D333 V334 S335	L76-R85 PolarHBondContact O-NH2 3.32Å; V79-R85 VanDerWaalsContact O-CZ 3.24Å; V79-R85 PolarHBondContact O-NH1 3.16Å; V79-R85 PolarHBondContact O-NH2 3.19Å; A80-R85 VanDerWaalsContact C-NH1 3.27Å; A80-R85 VanDerWaalsContact CA-NH1 3.34Å; A80-R85 PolarHBondContact O-NH1 2.99Å; D82-R85 VanDerWaalsContact CG-NE 3.29Å; D82-R85 PolarHBondContact O-N 3.39Å; D82-R85 WeakPolarHBondContact OD1-CB 3.36Å; D82-R85 WeakPolarHBondContact OD1-CG 3.34Å; D82-R85 PolarHBondContact OD1-N 3.38Å; D82-R85 IonicContact OD1-NE 2.73Å; D82-R85 PolarHBondContact OD1-NE 2.96Å; D82-R85 IonicContact OD2-CZ 3.78Å; D82-R85 VanDerWaalsContact OD2-CZ 3.22Å; D82-R85 IonicContact OD2-NE 3.4Å; D82-R85 PolarHBondContact OD2-NE 3.1Å; D82-R85 IonicContact OD2-NH2 2.99Å; D82-R85 PolarHBondContact OD2-NH2 2.73Å; I83-R85 VanDerWaalsContact C-N 3.33Å; I83-R85 PolarHBondContact O-N 3.45Å; R85-R87 VanDerWaalsContact C-N 3.31Å; R85-R87 PolarHBondContact O-N 3.2Å; R85-A88 PolarHBondContact O-N 3.36Å; R85-G89 PolarHBondContact O-N 2.92Å; R85-D333 VanDerWaalsContact CD-CG 3.48Å; R85-D333 WeakPolarHBondContact CD-OD2 3.48Å; R85-D333 IonicContact NH1-OD2 2.74Å; R85-V334 HydrophobicContact CB-CG2 3.51Å; R85-S335 VanDerWaalsContact O-CA 3.31Å; R85-S335 WeakPolarHBondContact O-CA 3.02Å
86	L	98.7	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-44.1	174.3	-73	168.8	0	0	0	111.1	T81 D82 I83 G89 H90 V91 F130 I148 V334	T81-L86 HydrophobicContact CG2-CD1 3.93Å; T81-L86 HydrophobicContact CG2-CD2 3.97Å; T81-L86 HydrophobicContact CG2-CG 3.93Å; D82-L86 VanDerWaalsContact O-CG 3.32Å; D82-L86 WeakPolarHBondContact O-CG 3.48Å; D82-L86 PolarHBondContact O-N 3.22Å; I83-L86 PolarHBondContact O-N 2.96Å; L86-G89 PolarHBondContact O-N 3.35Å; L86-H90 PolarHBondContact O-N 2.94Å; L86-V91 HydrophobicContact CB-CB 4.31Å; L86-V91 HydrophobicContact CD2-CB 3.84Å; L86-V91 HydrophobicContact CD2-CG1 3.9Å; L86-V91 HydrophobicContact CD2-CG2 3.88Å; L86-V91 PolarHBondContact O-N 3.33Å; L86-F130 HydrophobicContact CD1-CE1 3.86Å; L86-F130 HydrophobicContact CD1-CZ 3.77Å; L86-I148 HydrophobicContact CB-CD1 3.79Å; L86-I148 HydrophobicContact CD1-CD1 4.12Å; L86-V334 HydrophobicContact CD2-CB 4.05Å; L86-V334 HydrophobicContact CD2-CG1 4.31Å; L86-V334 HydrophobicContact CD2-CG2 3.86Å; L86-V334 HydrophobicContact CG-CG2 3.96Å
87	R	98.3	Very high	97.4	Very high	96 Å²	96	30 Å²	30	36%	0.362	15%	0.149	S	C	.	.	H	α-helix	trans	-62.5	-48	174.9	-64.7	-60.1	-172.7	175.9	6.5	111.9	I83 R85 G89 H90 D129 G146 I148	I83-R87 HydrophobicContact CG2-CG 4.21Å; I83-R87 VanDerWaalsContact O-CG 3.27Å; I83-R87 WeakPolarHBondContact O-CG 2.8Å; I83-R87 PolarHBondContact O-N 2.85Å; R85-R87 VanDerWaalsContact C-N 3.31Å; R85-R87 PolarHBondContact O-N 3.2Å; R87-G89 PolarHBondContact O-N 3.13Å; R87-H90 PolarHBondContact O-N 2.02Å; R87-D129 IonicContact CZ-OD1 3.47Å; R87-D129 IonicContact NE-OD1 2.73Å; R87-D129 PolarHBondContact NH2-O 3.18Å; R87-D129 IonicContact NH2-OD1 2.74Å; R87-D129 PolarHBondContact NH2-OD1 3.06Å; R87-G146 PolarHBondContact NH1-O 3.28Å; R87-G146 PolarHBondContact NH2-O 3.04Å; R87-I148 HydrophobicContact CG-CD1 4.42Å
88	A	98.4	Very high	97.9	Very high	52 Å²	52	25.2 Å²	25.2	43%	0.43	12%	0.12	S	C	.	.	H	α-helix	trans	-62.2	-31.6	179	0	0	0	0	0	112.7	S84 R85 H90	S84-A88 WeakPolarHBondContact O-CB 3.39Å; S84-A88 PolarHBondContact O-N 2.93Å; R85-A88 PolarHBondContact O-N 3.36Å; A88-H90 VanDerWaalsContact C-N 3.29Å; A88-H90 PolarHBondContact O-CD2 3.31Å
89	G	98.6	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.3	175.6	0	0	0	0	0	115.1	R85 L86 R87 V91 V334	R85-G89 PolarHBondContact O-N 2.92Å; L86-G89 PolarHBondContact O-N 3.35Å; R87-G89 PolarHBondContact O-N 3.13Å; G89-V91 PolarHBondContact O-N 3.33Å; G89-V334 WeakPolarHBondContact CA-O 3.27Å
90	H	98.6	Very high	98.3	Very high	47 Å²	47	17 Å²	17	22%	0.218	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	36	-174	-62.5	-105.7	0	0	0	113.1	H41 L44 P48 V49 L86 R87 A88 Q92	H41-H90 AromaticContact ND1-CD2 3.86Å; H41-H90 AromaticContact ND1-NE2 3.26Å; H41-H90 PolarHBondContact ND1-NE2 3.24Å; L44-H90 HydrophobicContact CB-CB 3.68Å; L44-H90 HydrophobicContact CD1-CB 4.3Å; L44-H90 HydrophobicContact CD2-CB 4.17Å; L44-H90 HydrophobicContact CG-CB 4.29Å; P48-H90 CarbonylContact C-O 3.53Å; P48-H90 WeakPolarHBondContact CA-O 3.47Å; P48-H90 WeakPolarHBondContact CB-O 3.44Å; V49-H90 PolarHBondContact N-O 2.84Å; L86-H90 PolarHBondContact O-N 2.94Å; R87-H90 PolarHBondContact O-N 2.02Å; A88-H90 VanDerWaalsContact C-N 3.29Å; A88-H90 PolarHBondContact O-CD2 3.31Å; H90-Q92 PolarHBondContact O-N 3.24Å
91	V	98.7	Very high	98.3	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.03	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.4	174	-175.1	0	0	0	0	109.2	V49 L86 G89 T93 Q94 Y337	V49-V91 HydrophobicContact CB-CG2 4.42Å; L86-V91 HydrophobicContact CB-CB 4.31Å; L86-V91 HydrophobicContact CD2-CB 3.84Å; L86-V91 HydrophobicContact CD2-CG1 3.9Å; L86-V91 HydrophobicContact CD2-CG2 3.88Å; L86-V91 PolarHBondContact O-N 3.33Å; G89-V91 PolarHBondContact O-N 3.33Å; V91-T93 WeakPolarHBondContact CG1-O 3.45Å; V91-Q94 HydrophobicContact CG1-CB 4.42Å; V91-Y337 HydrophobicContact CG2-CD2 3.62Å; V91-Y337 HydrophobicContact CG2-CE2 3.34Å
92	Q	97.6	Very high	98.2	Very high	12 Å²	12	23 Å²	23	6%	0.056	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-30.3	173.5	-177.4	-86.3	-41.7	0	0	112	P48 V49 H90 L139 M143 I148 A149	P48-Q92 HydrophobicContact CB-CB 3.53Å; P48-Q92 HydrophobicContact CG-CB 3.47Å; P48-Q92 VanDerWaalsContact CG-CB 3.47Å; P48-Q92 HydrophobicContact CG-CG 4.09Å; V49-Q92 PolarHBondContact O-N 2.94Å; H90-Q92 PolarHBondContact O-N 3.24Å; Q92-L139 PolarHBondContact NE2-O 2.99Å; Q92-M143 HydrophobicContact CG-CB 4.09Å; Q92-M143 HydrophobicContact CG-CG 4.16Å; Q92-I148 CarbonylContact O-C 3.55Å; Q92-I148 WeakPolarHBondContact O-CA 3.47Å; Q92-A149 PolarHBondContact O-N 2.84Å
93	T	98.7	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.6	174.3	-55.8	0	0	0	0	110	V49 I50 D51 V91 L139 A149 L151	V49-T93 PolarHBondContact O-N 3.4Å; V49-T93 VanDerWaalsContact O-N 3.11Å; I50-T93 WeakPolarHBondContact CA-O 3.32Å; I50-T93 HydrophobicContact CG2-CG2 4.04Å; D51-T93 PolarHBondContact N-O 2.95Å; V91-T93 WeakPolarHBondContact CG1-O 3.45Å; T93-L139 HydrophobicContact CG2-CD2 3.34Å; T93-L139 WeakPolarHBondContact OG1-CD2 3.48Å; T93-A149 WeakPolarHBondContact CA-O 3.28Å; T93-A149 HydrophobicContact CG2-CB 4.21Å; T93-L151 HydrophobicContact CG2-CD1 3.82Å; T93-L151 HydrophobicContact CG2-CG 4.21Å
94	Q	98.8	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.1	169.1	-176.4	63.1	74.9	0	0	109.3	D51 N54 V91 F96 A149 L151	D51-Q94 PolarHBondContact O-NE2 3.1Å; D51-Q94 PolarHBondContact OD1-NE2 2.98Å; N54-Q94 HydrophobicContact CB-CG 3.86Å; N54-Q94 PolarHBondContact ND2-OE1 2.84Å; V91-Q94 HydrophobicContact CG1-CB 4.42Å; Q94-F96 HydrophobicContact CB-CD2 4.32Å; Q94-F96 HydrophobicContact CB-CE1 4.36Å; Q94-F96 HydrophobicContact CB-CE2 3.88Å; Q94-F96 HydrophobicContact CB-CZ 3.91Å; Q94-F96 HydrophobicContact CG-CD1 3.78Å; Q94-F96 HydrophobicContact CG-CD2 4.11Å; Q94-F96 HydrophobicContact CG-CE1 3.56Å; Q94-F96 HydrophobicContact CG-CE2 3.9Å; Q94-F96 HydrophobicContact CG-CG 4.06Å; Q94-F96 HydrophobicContact CG-CZ 3.63Å; Q94-F96 PolarHBondContact O-N 2.91Å; Q94-A149 PolarHBondContact N-O 2.94Å; Q94-L151 PolarHBondContact O-N 3.01Å
95	M	98.8	Very high	97.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	104.8	163.6	-170.6	156.2	79.8	0	0	108.4	D51 G52 N54 L151 I248	D51-M95 WeakPolarHBondContact O-CB 3.42Å; D51-M95 PolarHBondContact O-N 3.32Å; G52-M95 WeakPolarHBondContact O-CE 3.4Å; N54-M95 PolarHBondContact N-O 2.81Å; M95-L151 WeakPolarHBondContact CA-O 3.31Å; M95-L151 HydrophobicContact CB-CB 4.13Å; M95-L151 HydrophobicContact CG-CB 4.04Å; M95-I248 HydrophobicContact CE-CD1 3.79Å
96	F	98.9	Very high	97.7	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.8	179	-72	-70.6	0	0	0	110.2	N54 L56 Q94 I120 F130 C150 L151 S153	N54-F96 HydrophobicContact CB-CD1 4.47Å; L56-F96 HydrophobicContact CB-CD1 4.34Å; L56-F96 HydrophobicContact CB-CE1 4.17Å; L56-F96 HydrophobicContact CD2-CE1 4Å; Q94-F96 HydrophobicContact CB-CD2 4.32Å; Q94-F96 HydrophobicContact CB-CE1 4.36Å; Q94-F96 HydrophobicContact CB-CE2 3.88Å; Q94-F96 HydrophobicContact CB-CZ 3.91Å; Q94-F96 HydrophobicContact CG-CD1 3.78Å; Q94-F96 HydrophobicContact CG-CD2 4.11Å; Q94-F96 HydrophobicContact CG-CE1 3.56Å; Q94-F96 HydrophobicContact CG-CE2 3.9Å; Q94-F96 HydrophobicContact CG-CG 4.06Å; Q94-F96 HydrophobicContact CG-CZ 3.63Å; Q94-F96 PolarHBondContact O-N 2.91Å; F96-I120 HydrophobicContact CB-CD1 3.76Å; F96-I120 HydrophobicContact CB-CG1 4.08Å; F96-I120 HydrophobicContact CB-CG2 3.96Å; F96-I120 HydrophobicContact CD2-CG2 4.19Å; F96-I120 HydrophobicContact CG-CG2 4.36Å; F96-F130 HydrophobicContact CE2-CE1 4.24Å; F96-F130 HydrophobicContact CZ-CE1 4.08Å; F96-F130 HydrophobicContact CZ-CZ 4.49Å; F96-C150 HydrophobicContact CD2-CB 4.08Å; F96-C150 HydrophobicContact CE2-CB 4.19Å; F96-L151 PolarHBondContact N-O 2.88Å; F96-S153 PolarHBondContact O-N 3.31Å
97	A	98.7	Very high	97.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.6	179.5	0	0	0	0	0	111	H53 N54 Y99 S153	H53-A97 WeakPolarHBondContact NE2-CB 3.33Å; N54-A97 WeakPolarHBondContact O-CB 3.45Å; N54-A97 PolarHBondContact O-N 2.75Å; A97-Y99 PolarHBondContact O-N 3.25Å; A97-S153 CarbonylContact C-O 3.56Å; A97-S153 WeakPolarHBondContact CA-O 3.28Å
98	V	98.8	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	81.7	161.5	172.2	0	0	0	0	106.3	T113 Q116 I117 I120 I152 S153 I154 E155	V98-T113 HydrophobicContact CG1-CG2 3.61Å; V98-Q116 HydrophobicContact CB-CB 4.44Å; V98-Q116 HydrophobicContact CG1-CB 3.77Å; V98-Q116 HydrophobicContact CG2-CB 4.44Å; V98-I117 HydrophobicContact CB-CG1 4.49Å; V98-I117 HydrophobicContact CG1-CG1 4.05Å; V98-I117 HydrophobicContact CG2-CG1 3.76Å; V98-I120 HydrophobicContact CG2-CD1 3.45Å; V98-I120 VanDerWaalsContact CG2-CD1 3.45Å; V98-I152 HydrophobicContact CG2-CG2 3.4Å; V98-S153 PolarHBondContact N-O 2.5Å; V98-I154 HydrophobicContact CB-CG1 4.1Å; V98-I154 HydrophobicContact CG1-CG1 4.1Å; V98-E155 PolarHBondContact O-N 2.9Å
99	Y	98.3	Very high	97.6	Very high	31 Å²	31	27.4 Å²	27.4	12%	0.122	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137	173.2	176.6	-125.1	0	0	0	111.4	L58 A97 L101 E155 H182	L58-Y99 HydrophobicContact CD1-CD1 3.87Å; L58-Y99 HydrophobicContact CD1-CE1 4.37Å; L58-Y99 HydrophobicContact CD2-CD1 3.67Å; L58-Y99 HydrophobicContact CD2-CE1 4.07Å; L58-Y99 HydrophobicContact CG-CD1 4.24Å; A97-Y99 PolarHBondContact O-N 3.25Å; Y99-L101 HydrophobicContact CE1-CG 4.45Å; Y99-E155 VanDerWaalsContact CB-OE2 3.29Å; Y99-E155 WeakPolarHBondContact CB-OE2 3.31Å; Y99-E155 HydrophobicContact CD2-CB 4.26Å; Y99-E155 HydrophobicContact CD2-CG 4.34Å; Y99-E155 WeakPolarHBondContact CD2-OE2 3.4Å; Y99-H182 HydrophobicContact CE2-CB 4.35Å; Y99-H182 AromaticContact CE2-CD2 3.76Å; Y99-H182 AromaticContact CE2-CE1 3.51Å; Y99-H182 AromaticContact CE2-CG 3.55Å; Y99-H182 AromaticContact CE2-ND1 3.37Å; Y99-H182 WeakPolarHBondContact CE2-ND1 3.41Å; Y99-H182 AromaticContact CE2-NE2 3.77Å; Y99-H182 AromaticContact CZ-CE1 3.46Å; Y99-H182 VanDerWaalsContact CZ-CE1 3.46Å; Y99-H182 AromaticContact CZ-ND1 3.71Å; Y99-H182 AromaticContact CZ-NE2 3.9Å; Y99-H182 PolarHBondContact OH-CE1 3.42Å; Y99-H182 PolarHBondContact OH-ND1 2.98Å
100	V	96.2	Very high	97.6	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.03	17%	0.167	C	C	.	.			trans	-129.4	138.3	167.5	-58.9	0	0	0	0	108.9	C102 A109 L112 Q116 H158	V100-C102 PolarHBondContact O-N 3.26Å; V100-A109 HydrophobicContact CG2-CB 4.37Å; V100-L112 HydrophobicContact CB-CB 4.21Å; V100-L112 HydrophobicContact CG1-CB 3.61Å; V100-Q116 HydrophobicContact CG1-CG 4.28Å; V100-H158 WeakPolarHBondContact CG2-NE2 3.17Å; V100-H158 PolarHBondContact O-NE2 3.35Å
101	L	96.8	Very high	97.6	Very high	107 Å²	107	33 Å²	33	56%	0.56	18%	0.178	S	C	*	.			trans	-56.6	139.3	-175.1	-73.8	78.2	0	0	0	111	L58 Y99 G103 A104	L58-L101 HydrophobicContact CD1-CD1 4.31Å; Y99-L101 HydrophobicContact CE1-CG 4.45Å; L101-G103 PolarHBondContact O-N 2.86Å; L101-A104 VanDerWaalsContact O-CB 3.28Å; L101-A104 WeakPolarHBondContact O-CB 3.42Å; L101-A104 PolarHBondContact O-N 2.7Å
102	C	95.8	Very high	97.6	Very high	31 Å²	31	33.8 Å²	33.8	21%	0.209	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-51.8	-28.7	175	-79.7	0	0	0	0	113.8	V100 A104 Q105 H182 C184	V100-C102 PolarHBondContact O-N 3.26Å; C102-A104 PolarHBondContact O-N 3.46Å; C102-Q105 VanDerWaalsContact O-CB 3.29Å; C102-Q105 WeakPolarHBondContact O-CB 3.1Å; C102-Q105 PolarHBondContact O-N 2.99Å; C102-Q105 VanDerWaalsContact O-N 3.12Å; C102-H182 PolarHBondContact SG-ND1 2.88Å; C102-H182 VanDerWaalsContact SG-ND1 3.41Å; C102-C184 VanDerWaalsContact CA-SG 3.52Å; C102-C184 HydrophobicContact CB-CB 3.52Å; C102-C184 WeakPolarHBondContact CB-SG 3.43Å; C102-C184 WeakPolarHBondContact SG-CB 3.45Å; C102-C184 PolarHBondContact SG-N 2.96Å; C102-C184 CovalentContact SG-SG 2.03Å; C102-C184 PolarHBondContact SG-SG 3.45Å
103	G	96.1	Very high	97.6	Very high	55 Å²	55	33.2 Å²	33.2	57%	0.567	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-58.4	-24.1	173.7	0	0	0	0	0	113.8	L101 Q105 M107	L101-G103 PolarHBondContact O-N 2.86Å; G103-Q105 VanDerWaalsContact C-N 3.31Å; G103-Q105 PolarHBondContact O-N 3.11Å; G103-M107 WeakPolarHBondContact O-CE 3.44Å
104	A	97.2	Very high	97.6	Very high	6 Å²	6	36.9 Å²	36.9	5%	0.05	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-78.5	-11	178.4	0	0	0	0	0	114.1	L101 C102 H106 M107 D108 A109 L112	L101-A104 VanDerWaalsContact O-CB 3.28Å; L101-A104 WeakPolarHBondContact O-CB 3.42Å; L101-A104 PolarHBondContact O-N 2.7Å; C102-A104 PolarHBondContact O-N 3.46Å; A104-H106 PolarHBondContact O-N 3.39Å; A104-M107 PolarHBondContact O-N 2.85Å; A104-D108 PolarHBondContact O-N 3.11Å; A104-A109 HydrophobicContact CB-CB 4.14Å; A104-A109 WeakPolarHBondContact O-CB 3.08Å; A104-A109 PolarHBondContact O-N 2.93Å; A104-A109 VanDerWaalsContact O-N 3.16Å; A104-L112 HydrophobicContact CB-CD1 3.7Å
105	Q	96.4	Very high	97.6	Very high	29 Å²	29	39.9 Å²	39.9	14%	0.136	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	136.2	177.7	-175.6	174.2	-30.5	0	0	110.2	C102 G103 M107 H158 N185	C102-Q105 VanDerWaalsContact O-CB 3.29Å; C102-Q105 WeakPolarHBondContact O-CB 3.1Å; C102-Q105 PolarHBondContact O-N 2.99Å; C102-Q105 VanDerWaalsContact O-N 3.12Å; G103-Q105 VanDerWaalsContact C-N 3.31Å; G103-Q105 PolarHBondContact O-N 3.11Å; Q105-M107 PolarHBondContact O-N 3.35Å; Q105-H158 HydrophobicContact CB-CB 3.85Å; Q105-H158 HydrophobicContact CG-CB 3.65Å; Q105-N185 PolarHBondContact NE2-O 3.45Å; Q105-N185 PolarHBondContact OE1-O 2.96Å
106	H	94.3	Very high	97.6	Very high	59 Å²	59	39.8 Å²	39.8	27%	0.273	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	16.8	-172.8	-47.8	-54.8	0	0	0	115	A104 D161 N393 C395	A104-H106 PolarHBondContact O-N 3.39Å; H106-D161 IonicContact ND1-OD1 3.99Å; H106-N393 HydrophobicContact CB-CB 3.98Å; H106-N393 PolarHBondContact O-OD1 2.91Å; H106-C395 WeakPolarHBondContact O-CB 3.42Å
107	M	96.1	Very high	97.6	Very high	124 Å²	124	39.8 Å²	39.8	61%	0.611	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.2	-100.5	173.6	-65.2	-165.4	-76.8	0	0	110	G103 A104 Q105	G103-M107 WeakPolarHBondContact O-CE 3.44Å; A104-M107 PolarHBondContact O-N 2.85Å; Q105-M107 PolarHBondContact O-N 3.35Å
108	D	97.4	Very high	97.6	Very high	55 Å²	55	43.2 Å²	43.2	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	17.6	-170.4	61.5	-15.6	0	0	0	113.2	A104 V110 R111 L112	A104-D108 PolarHBondContact O-N 3.11Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 2.89Å; D108-R111 PolarHBondContact O-N 2.93Å; D108-R111 VanDerWaalsContact O-N 3.07Å; D108-R111 IonicContact OD2-CZ 2.77Å; D108-R111 IonicContact OD2-NH2 3.67Å; D108-R111 PolarHBondContact OD2-NH2 3.08Å; D108-L112 WeakPolarHBondContact O-CG 3.46Å; D108-L112 PolarHBondContact O-N 3.06Å; D108-L112 WeakPolarHBondContact OD1-CD1 3.14Å
109	A	98.4	Very high	97.6	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-46.6	-52.5	178.5	0	0	0	0	0	112.5	V100 A104 R111 L112 T113	V100-A109 HydrophobicContact CG2-CB 4.37Å; A104-A109 HydrophobicContact CB-CB 4.14Å; A104-A109 WeakPolarHBondContact O-CB 3.08Å; A104-A109 PolarHBondContact O-N 2.93Å; A104-A109 VanDerWaalsContact O-N 3.16Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.23Å; A109-L112 PolarHBondContact O-N 3.38Å; A109-T113 WeakPolarHBondContact O-CB 3.33Å; A109-T113 PolarHBondContact O-N 3.41Å; A109-T113 PolarHBondContact O-OG1 2.86Å
110	V	98.5	Very high	97.7	Very high	49 Å²	49	41.9 Å²	41.9	30%	0.297	23%	0.225	S	C	.	.	H	α-helix	trans	-57.3	-45	-179.2	-179.3	0	0	0	0	112	D108 T113 L114 S159 D161 F170	D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 2.89Å; V110-T113 PolarHBondContact O-N 2.75Å; V110-L114 WeakPolarHBondContact O-CG 3.23Å; V110-L114 PolarHBondContact O-N 3.29Å; V110-S159 WeakPolarHBondContact CG2-O 3.22Å; V110-D161 HydrophobicContact CG2-CB 3.66Å; V110-F170 HydrophobicContact CG1-CZ 4.13Å
111	R	98.6	Very high	97.8	Very high	116 Å²	116	45.7 Å²	45.7	44%	0.438	24%	0.239	S	C	.	.	H	α-helix	trans	-65.1	-45.9	178.7	179.3	-173.7	63.3	84	-1.9	111	D108 A109 T113 L114 E115	D108-R111 PolarHBondContact O-N 2.93Å; D108-R111 VanDerWaalsContact O-N 3.07Å; D108-R111 IonicContact OD2-CZ 2.77Å; D108-R111 IonicContact OD2-NH2 3.67Å; D108-R111 PolarHBondContact OD2-NH2 3.08Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.23Å; R111-T113 VanDerWaalsContact C-N 3.31Å; R111-T113 PolarHBondContact O-N 3.4Å; R111-L114 WeakPolarHBondContact O-CB 3.43Å; R111-L114 PolarHBondContact O-N 3.27Å; R111-E115 IonicContact CZ-OE1 3.37Å; R111-E115 IonicContact NH1-OE1 3.7Å; R111-E115 PolarHBondContact NH1-OE1 2.86Å; R111-E115 IonicContact NH1-OE2 3.82Å; R111-E115 WeakPolarHBondContact O-CG 3.23Å; R111-E115 PolarHBondContact O-N 3.49Å
112	L	98.7	Very high	97.9	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-39.2	178.6	-65.5	177.1	0	0	0	111.3	V100 A104 D108 A109 L114 E115 Q116	V100-L112 HydrophobicContact CB-CB 4.21Å; V100-L112 HydrophobicContact CG1-CB 3.61Å; A104-L112 HydrophobicContact CB-CD1 3.7Å; D108-L112 WeakPolarHBondContact O-CG 3.46Å; D108-L112 PolarHBondContact O-N 3.06Å; D108-L112 WeakPolarHBondContact OD1-CD1 3.14Å; A109-L112 PolarHBondContact O-N 3.38Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.41Å; L112-E115 PolarHBondContact O-N 2.97Å; L112-Q116 WeakPolarHBondContact O-CG 3.41Å; L112-Q116 PolarHBondContact O-N 3.26Å
113	T	98.9	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-43.8	174.9	-60.4	0	0	0	0	110.3	V98 A109 V110 R111 E115 Q116 I117 I154 S159 F170	V98-T113 HydrophobicContact CG1-CG2 3.61Å; A109-T113 WeakPolarHBondContact O-CB 3.33Å; A109-T113 PolarHBondContact O-N 3.41Å; A109-T113 PolarHBondContact O-OG1 2.86Å; V110-T113 PolarHBondContact O-N 2.75Å; R111-T113 VanDerWaalsContact C-N 3.31Å; R111-T113 PolarHBondContact O-N 3.4Å; T113-E115 PolarHBondContact O-N 3.28Å; T113-Q116 PolarHBondContact O-N 3.48Å; T113-I117 HydrophobicContact CG2-CD1 4.01Å; T113-I117 VanDerWaalsContact O-CG1 3.31Å; T113-I117 WeakPolarHBondContact O-CG1 3.39Å; T113-I117 PolarHBondContact O-N 3.33Å; T113-I154 HydrophobicContact CG2-CD1 3.85Å; T113-I154 HydrophobicContact CG2-CG1 4.16Å; T113-S159 VanDerWaalsContact OG1-CB 3.28Å; T113-S159 WeakPolarHBondContact OG1-CB 3.35Å; T113-S159 PolarHBondContact OG1-OG 3.46Å; T113-S159 VanDerWaalsContact OG1-OG 3.09Å; T113-F170 HydrophobicContact CG2-CD1 4.36Å; T113-F170 HydrophobicContact CG2-CD2 4.45Å; T113-F170 HydrophobicContact CG2-CE1 3.82Å; T113-F170 HydrophobicContact CG2-CE2 3.91Å; T113-F170 HydrophobicContact CG2-CZ 3.56Å
114	L	98.9	Very high	98	Very high	77 Å²	77	39.5 Å²	39.5	40%	0.403	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-43.3	174.6	-71.3	168.3	0	0	0	112.5	V110 R111 L112 Q116 I117 D118 F170 L173	V110-L114 WeakPolarHBondContact O-CG 3.23Å; V110-L114 PolarHBondContact O-N 3.29Å; R111-L114 WeakPolarHBondContact O-CB 3.43Å; R111-L114 PolarHBondContact O-N 3.27Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-L114 PolarHBondContact O-N 3.41Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.34Å; L114-I117 PolarHBondContact O-N 3.38Å; L114-D118 WeakPolarHBondContact O-CB 3.4Å; L114-D118 PolarHBondContact O-N 3.39Å; L114-F170 HydrophobicContact CD2-CD1 4.22Å; L114-F170 HydrophobicContact CD2-CE1 3.77Å; L114-F170 HydrophobicContact CG-CE1 4.02Å; L114-L173 HydrophobicContact CD2-CD1 3.46Å; L114-L173 VanDerWaalsContact CD2-CD1 3.46Å
115	E	98.8	Very high	97.8	Very high	62 Å²	62	43.4 Å²	43.4	29%	0.29	21%	0.211	S	C	.	.	H	α-helix	trans	-65.3	-34.3	177.7	-70.4	172.8	-174	0	0	112.9	R61 R111 L112 T113 V119	R61-E115 IonicContact CZ-OE2 2.66Å; R61-E115 IonicContact NH1-OE2 3.46Å; R61-E115 PolarHBondContact NH1-OE2 3.49Å; R61-E115 IonicContact NH2-OE2 3.73Å; R61-E115 PolarHBondContact NH2-OE2 2.91Å; R111-E115 IonicContact CZ-OE1 3.37Å; R111-E115 IonicContact NH1-OE1 3.7Å; R111-E115 PolarHBondContact NH1-OE1 2.86Å; R111-E115 IonicContact NH1-OE2 3.82Å; R111-E115 WeakPolarHBondContact O-CG 3.23Å; R111-E115 PolarHBondContact O-N 3.49Å; L112-E115 PolarHBondContact O-N 2.97Å; T113-E115 PolarHBondContact O-N 3.28Å; E115-V119 PolarHBondContact O-N 3.4Å; E115-V119 VanDerWaalsContact O-N 3.12Å
116	Q	98.8	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-75.7	-37.6	176.2	-69.5	-56.1	101.1	0	0	111.9	A57 N66 V98 V100 L112 T113 L114 D118 V119 I120	A57-Q116 PolarHBondContact O-NE2 3.06Å; N66-Q116 PolarHBondContact ND2-OE1 3.31Å; V98-Q116 HydrophobicContact CB-CB 4.44Å; V98-Q116 HydrophobicContact CG1-CB 3.77Å; V98-Q116 HydrophobicContact CG2-CB 4.44Å; V100-Q116 HydrophobicContact CG1-CG 4.28Å; L112-Q116 WeakPolarHBondContact O-CG 3.41Å; L112-Q116 PolarHBondContact O-N 3.26Å; T113-Q116 PolarHBondContact O-N 3.48Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.34Å; Q116-D118 VanDerWaalsContact C-N 3.31Å; Q116-V119 WeakPolarHBondContact O-CG1 3.42Å; Q116-I120 WeakPolarHBondContact O-CG1 3.35Å; Q116-I120 PolarHBondContact O-N 3.02Å
117	I	98.9	Very high	97.7	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-46.2	168.8	-70.1	166.2	0	0	0	109.7	V98 T113 L114 V119 I120 R121 I152 F170 L173 V175	V98-I117 HydrophobicContact CB-CG1 4.49Å; V98-I117 HydrophobicContact CG1-CG1 4.05Å; V98-I117 HydrophobicContact CG2-CG1 3.76Å; T113-I117 HydrophobicContact CG2-CD1 4.01Å; T113-I117 VanDerWaalsContact O-CG1 3.31Å; T113-I117 WeakPolarHBondContact O-CG1 3.39Å; T113-I117 PolarHBondContact O-N 3.33Å; L114-I117 PolarHBondContact O-N 3.38Å; I117-V119 PolarHBondContact O-N 3.22Å; I117-I120 PolarHBondContact O-N 3.49Å; I117-R121 HydrophobicContact CG2-CG 4.17Å; I117-R121 WeakPolarHBondContact O-CB 3.44Å; I117-R121 VanDerWaalsContact O-CG 3.3Å; I117-R121 WeakPolarHBondContact O-CG 3.36Å; I117-R121 PolarHBondContact O-N 2.89Å; I117-I152 HydrophobicContact CG1-CG2 4.4Å; I117-I152 HydrophobicContact CG2-CD1 4.35Å; I117-F170 HydrophobicContact CD1-CB 4.35Å; I117-F170 HydrophobicContact CD1-CD1 3.48Å; I117-F170 VanDerWaalsContact CD1-CD1 3.48Å; I117-F170 HydrophobicContact CD1-CE1 4.02Å; I117-F170 HydrophobicContact CD1-CG 4.09Å; I117-L173 HydrophobicContact CD1-CD1 4.47Å; I117-L173 HydrophobicContact CG2-CB 3.95Å; I117-V175 HydrophobicContact CD1-CG2 3.83Å; I117-V175 HydrophobicContact CG1-CG2 4.15Å
118	D	98.8	Very high	97.7	Very high	74 Å²	74	45.4 Å²	45.4	40%	0.396	23%	0.225	S	C	.	.	H	α-helix	trans	-56.5	-51.5	179	169.6	77.2	0	0	0	112.2	L114 Q116 I120 R121 R122	L114-D118 WeakPolarHBondContact O-CB 3.4Å; L114-D118 PolarHBondContact O-N 3.39Å; Q116-D118 VanDerWaalsContact C-N 3.31Å; D118-I120 VanDerWaalsContact C-N 3.31Å; D118-I120 PolarHBondContact O-N 3.47Å; D118-R121 PolarHBondContact O-N 3.4Å; D118-R121 VanDerWaalsContact O-N 3.17Å; D118-R122 WeakPolarHBondContact O-CG 3.35Å; D118-R122 PolarHBondContact O-N 3.06Å; D118-R122 IonicContact OD1-NE 3.71Å; D118-R122 IonicContact OD2-CZ 2.67Å; D118-R122 IonicContact OD2-NE 3.47Å; D118-R122 PolarHBondContact OD2-NE 3.49Å; D118-R122 IonicContact OD2-NH2 3.85Å; D118-R122 PolarHBondContact OD2-NH2 2.81Å; D118-R122 VanDerWaalsContact OD2-NH2 3.16Å
119	V	98.7	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-38.3	-177.2	72.1	0	0	0	0	111.9	A57 N66 L68 E115 Q116 I117 R122 I123	A57-V119 HydrophobicContact CB-CG1 4.23Å; N66-V119 HydrophobicContact CB-CB 4.05Å; N66-V119 HydrophobicContact CB-CG2 3.85Å; L68-V119 HydrophobicContact CD1-CG2 4.29Å; L68-V119 HydrophobicContact CD2-CG2 3.81Å; L68-V119 HydrophobicContact CG-CG2 4.13Å; E115-V119 PolarHBondContact O-N 3.4Å; E115-V119 VanDerWaalsContact O-N 3.12Å; Q116-V119 WeakPolarHBondContact O-CG1 3.42Å; I117-V119 PolarHBondContact O-N 3.22Å; V119-R122 PolarHBondContact O-N 3.44Å; V119-I123 HydrophobicContact CG2-CD1 4.31Å; V119-I123 WeakPolarHBondContact O-CD1 3.48Å; V119-I123 VanDerWaalsContact O-CG1 3.25Å; V119-I123 WeakPolarHBondContact O-CG1 3.27Å; V119-I123 PolarHBondContact O-N 3.35Å
120	I	98.8	Very high	97.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-46	175.2	-65.2	165.9	0	0	0	110.2	A57 F96 V98 Q116 I117 D118 R122 I123 C124 I152	A57-I120 HydrophobicContact CB-CD1 3.79Å; A57-I120 HydrophobicContact CB-CG1 3.63Å; F96-I120 HydrophobicContact CB-CD1 3.76Å; F96-I120 HydrophobicContact CB-CG1 4.08Å; F96-I120 HydrophobicContact CB-CG2 3.96Å; F96-I120 HydrophobicContact CD2-CG2 4.19Å; F96-I120 HydrophobicContact CG-CG2 4.36Å; V98-I120 HydrophobicContact CG2-CD1 3.45Å; V98-I120 VanDerWaalsContact CG2-CD1 3.45Å; Q116-I120 WeakPolarHBondContact O-CG1 3.35Å; Q116-I120 PolarHBondContact O-N 3.02Å; I117-I120 PolarHBondContact O-N 3.49Å; D118-I120 VanDerWaalsContact C-N 3.31Å; D118-I120 PolarHBondContact O-N 3.47Å; I120-R122 VanDerWaalsContact C-N 3.35Å; I120-R122 PolarHBondContact O-N 3.1Å; I120-I123 WeakPolarHBondContact O-CB 3.49Å; I120-I123 PolarHBondContact O-N 3.38Å; I120-C124 WeakPolarHBondContact O-CB 3.33Å; I120-C124 PolarHBondContact O-N 3.39Å; I120-C124 PolarHBondContact O-SG 2.92Å; I120-I152 HydrophobicContact CD1-CG2 4.35Å; I120-I152 HydrophobicContact CG2-CD1 4.11Å; I120-I152 HydrophobicContact CG2-CG1 3.86Å
121	R	98.6	Very high	97.6	Very high	85 Å²	85	45 Å²	45	32%	0.321	22%	0.22	S	C	.	.	H	α-helix	trans	-57.6	-47.9	177.2	-73.4	-177.7	66.5	80.6	10.9	111.3	I117 D118 I123 C124 T125 L132 I152 L173	I117-R121 HydrophobicContact CG2-CG 4.17Å; I117-R121 WeakPolarHBondContact O-CB 3.44Å; I117-R121 VanDerWaalsContact O-CG 3.3Å; I117-R121 WeakPolarHBondContact O-CG 3.36Å; I117-R121 PolarHBondContact O-N 2.89Å; D118-R121 PolarHBondContact O-N 3.4Å; D118-R121 VanDerWaalsContact O-N 3.17Å; R121-I123 PolarHBondContact O-N 3.21Å; R121-C124 CarbonylContact O-C 3.58Å; R121-C124 PolarHBondContact O-N 3.1Å; R121-C124 VanDerWaalsContact O-N 3.1Å; R121-T125 WeakPolarHBondContact O-CG2 3.24Å; R121-T125 PolarHBondContact O-N 3.14Å; R121-T125 PolarHBondContact O-OG1 3.37Å; R121-L132 HydrophobicContact CG-CD2 4.18Å; R121-L132 VanDerWaalsContact NH1-CD2 3.25Å; R121-I152 HydrophobicContact CG-CD1 3.78Å; R121-L173 WeakPolarHBondContact CD-O 3.35Å; R121-L173 PolarHBondContact NH1-O 3.11Å
122	R	98.3	Very high	97.6	Very high	56 Å²	56	41 Å²	41	21%	0.211	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-43.6	177.5	-71.5	-169.9	-68.7	116.6	0.1	112.1	N66 L68 D118 V119 I120 C124 T125 E126	N66-R122 PolarHBondContact O-NH2 3.47Å; L68-R122 HydrophobicContact CD1-CB 3.67Å; L68-R122 VanDerWaalsContact CD1-NH1 3.31Å; D118-R122 WeakPolarHBondContact O-CG 3.35Å; D118-R122 PolarHBondContact O-N 3.06Å; D118-R122 IonicContact OD1-NE 3.71Å; D118-R122 IonicContact OD2-CZ 2.67Å; D118-R122 IonicContact OD2-NE 3.47Å; D118-R122 PolarHBondContact OD2-NE 3.49Å; D118-R122 IonicContact OD2-NH2 3.85Å; D118-R122 PolarHBondContact OD2-NH2 2.81Å; D118-R122 VanDerWaalsContact OD2-NH2 3.16Å; V119-R122 PolarHBondContact O-N 3.44Å; I120-R122 VanDerWaalsContact C-N 3.35Å; I120-R122 PolarHBondContact O-N 3.1Å; R122-C124 VanDerWaalsContact C-N 3.29Å; R122-C124 PolarHBondContact O-N 3.46Å; R122-T125 PolarHBondContact O-N 3.21Å; R122-E126 WeakPolarHBondContact CB-OE1 3.36Å; R122-E126 WeakPolarHBondContact CD-OE1 3.16Å; R122-E126 VanDerWaalsContact CG-OE1 3.26Å; R122-E126 WeakPolarHBondContact CG-OE1 3.08Å; R122-E126 WeakPolarHBondContact O-CB 3.27Å; R122-E126 VanDerWaalsContact O-CG 3.3Å; R122-E126 WeakPolarHBondContact O-CG 3.45Å; R122-E126 PolarHBondContact O-N 2.97Å
123	I	97.4	Very high	97.6	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-48.8	172.7	-71.9	163.7	0	0	0	110.7	L60 L68 L73 V119 I120 R121 T125 Y127 F130	L60-I123 HydrophobicContact CD1-CD1 3.35Å; L60-I123 HydrophobicContact CD1-CG1 4.47Å; L68-I123 HydrophobicContact CD1-CG1 3.79Å; L68-I123 HydrophobicContact CD2-CD1 4.22Å; L68-I123 HydrophobicContact CD2-CG1 3.92Å; L73-I123 HydrophobicContact CD2-CB 4.31Å; L73-I123 HydrophobicContact CD2-CG1 4.11Å; L73-I123 HydrophobicContact CD2-CG2 3.44Å; L73-I123 VanDerWaalsContact CD2-CG2 3.44Å; V119-I123 HydrophobicContact CG2-CD1 4.31Å; V119-I123 WeakPolarHBondContact O-CD1 3.48Å; V119-I123 VanDerWaalsContact O-CG1 3.25Å; V119-I123 WeakPolarHBondContact O-CG1 3.27Å; V119-I123 PolarHBondContact O-N 3.35Å; I120-I123 WeakPolarHBondContact O-CB 3.49Å; I120-I123 PolarHBondContact O-N 3.38Å; R121-I123 PolarHBondContact O-N 3.21Å; I123-T125 VanDerWaalsContact C-N 3.31Å; I123-T125 PolarHBondContact O-N 3.36Å; I123-Y127 WeakPolarHBondContact O-CB 3.35Å; I123-Y127 WeakPolarHBondContact O-CD2 3.33Å; I123-Y127 PolarHBondContact O-N 3.45Å; I123-F130 HydrophobicContact CG2-CD2 3.91Å; I123-F130 HydrophobicContact CG2-CE2 3.96Å; I123-F130 HydrophobicContact CG2-CG 4.42Å
124	C	96.9	Very high	97.6	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-80.4	-9.7	-171.2	-59.6	0	0	0	0	114.6	I120 R121 R122 F130 E131 L132 C150	I120-C124 WeakPolarHBondContact O-CB 3.33Å; I120-C124 PolarHBondContact O-N 3.39Å; I120-C124 PolarHBondContact O-SG 2.92Å; R121-C124 CarbonylContact O-C 3.58Å; R121-C124 PolarHBondContact O-N 3.1Å; R121-C124 VanDerWaalsContact O-N 3.1Å; R122-C124 VanDerWaalsContact C-N 3.29Å; R122-C124 PolarHBondContact O-N 3.46Å; C124-F130 HydrophobicContact CB-CB 4.42Å; C124-E131 WeakPolarHBondContact O-CA 3.41Å; C124-L132 HydrophobicContact CB-CB 3.85Å; C124-L132 HydrophobicContact CB-CD1 4.47Å; C124-L132 PolarHBondContact O-N 3.32Å; C124-C150 HydrophobicContact CB-CB 3.59Å; C124-C150 WeakPolarHBondContact CB-SG 3.05Å; C124-C150 WeakPolarHBondContact SG-CB 3.18Å; C124-C150 CovalentContact SG-SG 2.02Å; C124-C150 PolarHBondContact SG-SG 3.15Å
125	T	92.8	Very high	97.6	Very high	89 Å²	89	38.4 Å²	38.4	55%	0.546	20%	0.196	S	C	.	.	H	α-helix	trans	-111.6	-32.1	176	59.9	0	0	0	0	113.7	R121 R122 I123 L132	R121-T125 WeakPolarHBondContact O-CG2 3.24Å; R121-T125 PolarHBondContact O-N 3.14Å; R121-T125 PolarHBondContact O-OG1 3.37Å; R122-T125 PolarHBondContact O-N 3.21Å; I123-T125 VanDerWaalsContact C-N 3.31Å; I123-T125 PolarHBondContact O-N 3.36Å; T125-L132 HydrophobicContact CG2-CB 4.47Å
126	E	92.5	Very high	97.6	Very high	117 Å²	117	36.1 Å²	36.1	55%	0.547	19%	0.186	S	C	.	.	H	α-helix	trans	-90.2	-24.6	-174.8	-60.6	172.9	-163.6	0	0	112.7	R122	R122-E126 WeakPolarHBondContact CB-OE1 3.36Å; R122-E126 WeakPolarHBondContact CD-OE1 3.16Å; R122-E126 VanDerWaalsContact CG-OE1 3.26Å; R122-E126 WeakPolarHBondContact CG-OE1 3.08Å; R122-E126 WeakPolarHBondContact O-CB 3.27Å; R122-E126 VanDerWaalsContact O-CG 3.3Å; R122-E126 WeakPolarHBondContact O-CG 3.45Å; R122-E126 PolarHBondContact O-N 2.97Å
127	Y	96.1	Very high	97.5	Very high	40 Å²	40	41.3 Å²	41.3	16%	0.157	21%	0.21	C	C	.	.	S	Bend	trans	-94.7	126.7	179	-70.7	-100.3	0	0	0	111	L68 L73 I83 I123 D129 F130	L68-Y127 HydrophobicContact CD1-CE2 4.32Å; L73-Y127 HydrophobicContact CB-CD1 3.89Å; L73-Y127 HydrophobicContact CB-CE1 3.41Å; L73-Y127 VanDerWaalsContact CB-CE1 3.41Å; L73-Y127 HydrophobicContact CD2-CD1 4.13Å; L73-Y127 HydrophobicContact CD2-CD2 4.08Å; L73-Y127 HydrophobicContact CD2-CE1 4.19Å; L73-Y127 HydrophobicContact CD2-CE2 4.12Å; L73-Y127 HydrophobicContact CD2-CG 4.07Å; L73-Y127 HydrophobicContact CG-CE1 4.46Å; I83-Y127 HydrophobicContact CD1-CD1 4.22Å; I123-Y127 WeakPolarHBondContact O-CB 3.35Å; I123-Y127 WeakPolarHBondContact O-CD2 3.33Å; I123-Y127 PolarHBondContact O-N 3.45Å; Y127-D129 PolarHBondContact O-N 3.43Å; Y127-F130 PolarHBondContact O-N 2.97Å; Y127-F130 VanDerWaalsContact O-N 3.13Å
128	P	96.2	Very high	97.5	Very high	97 Å²	97	44.5 Å²	44.5	63%	0.63	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.2	-175.3	29.9	-37	0	0	0	113.6	K147	P128-K147 VanDerWaalsContact O-CD 3.23Å; P128-K147 WeakPolarHBondContact O-CD 3.49Å; P128-K147 VanDerWaalsContact O-CE 3.29Å; P128-K147 WeakPolarHBondContact O-CE 3.48Å; P128-K147 PolarHBondContact O-NZ 3.45Å
129	D	97.4	Very high	97.4	Very high	45 Å²	45	41 Å²	41	24%	0.241	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-25.3	174.6	-74.4	-84.1	0	0	0	113.4	I83 R87 Y127 K147 I148	I83-D129 HydrophobicContact CD1-CB 4Å; I83-D129 HydrophobicContact CG1-CB 4.23Å; I83-D129 HydrophobicContact CG2-CB 3.75Å; I83-D129 VanDerWaalsContact CG2-CG 3.49Å; R87-D129 IonicContact CZ-OD1 3.47Å; R87-D129 IonicContact NE-OD1 2.73Å; R87-D129 PolarHBondContact NH2-O 3.18Å; R87-D129 IonicContact NH2-OD1 2.74Å; R87-D129 PolarHBondContact NH2-OD1 3.06Å; Y127-D129 PolarHBondContact O-N 3.43Å; D129-K147 WeakPolarHBondContact O-CA 3.39Å; D129-I148 PolarHBondContact O-N 3.25Å
130	F	98.2	Very high	97.3	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	163.4	-173.6	-67.7	-76.7	0	0	0	112.4	L73 I83 L86 F96 I123 C124 Y127 I148 C150	L73-F130 HydrophobicContact CD2-CD2 4.3Å; L73-F130 HydrophobicContact CD2-CE2 3.6Å; L73-F130 HydrophobicContact CD2-CZ 4.44Å; L73-F130 HydrophobicContact CG-CE2 4.32Å; I83-F130 HydrophobicContact CD1-CD2 4.46Å; I83-F130 HydrophobicContact CD1-CE2 3.85Å; I83-F130 HydrophobicContact CG1-CD2 4.34Å; I83-F130 HydrophobicContact CG1-CE2 3.39Å; I83-F130 HydrophobicContact CG1-CZ 3.79Å; L86-F130 HydrophobicContact CD1-CE1 3.86Å; L86-F130 HydrophobicContact CD1-CZ 3.77Å; F96-F130 HydrophobicContact CE2-CE1 4.24Å; F96-F130 HydrophobicContact CZ-CE1 4.08Å; F96-F130 HydrophobicContact CZ-CZ 4.49Å; I123-F130 HydrophobicContact CG2-CD2 3.91Å; I123-F130 HydrophobicContact CG2-CE2 3.96Å; I123-F130 HydrophobicContact CG2-CG 4.42Å; C124-F130 HydrophobicContact CB-CB 4.42Å; Y127-F130 PolarHBondContact O-N 2.97Å; Y127-F130 VanDerWaalsContact O-N 3.13Å; F130-I148 CarbonylContact C-O 3.56Å; F130-I148 VanDerWaalsContact CA-O 3.25Å; F130-I148 WeakPolarHBondContact CA-O 3.48Å; F130-I148 HydrophobicContact CD1-CB 3.61Å; F130-I148 HydrophobicContact CD1-CD1 4.5Å; F130-I148 HydrophobicContact CD1-CG2 3.77Å; F130-I148 WeakPolarHBondContact CD1-O 3.36Å; F130-I148 HydrophobicContact CE1-CB 3.78Å; F130-I148 HydrophobicContact CE1-CD1 4Å; F130-I148 HydrophobicContact CE1-CG2 3.62Å; F130-I148 HydrophobicContact CZ-CD1 4.34Å; F130-C150 VanDerWaalsContact CD1-SG 3.57Å
131	E	98.2	Very high	97.1	Very high	47 Å²	47	48.8 Å²	48.8	22%	0.22	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	122	168.4	-177.1	171.8	-154.2	0	0	108.5	C124 V133 S142 K145 K147 I148 A149 C150	C124-E131 WeakPolarHBondContact O-CA 3.41Å; E131-V133 HydrophobicContact CG-CG1 4.2Å; E131-V133 PolarHBondContact O-N 3.26Å; E131-S142 VanDerWaalsContact OE2-CA 3.29Å; E131-S142 WeakPolarHBondContact OE2-CA 3.33Å; E131-S142 WeakPolarHBondContact OE2-CB 3.13Å; E131-S142 PolarHBondContact OE2-OG 2.97Å; E131-K145 IonicContact OE1-NZ 2.66Å; E131-K145 PolarHBondContact OE1-NZ 3.05Å; E131-K145 IonicContact OE2-NZ 3.78Å; E131-K147 HydrophobicContact CB-CB 3.98Å; E131-K147 HydrophobicContact CB-CG 4.29Å; E131-I148 PolarHBondContact N-O 3.03Å; E131-A149 CarbonylContact O-C 3.4Å; E131-A149 WeakPolarHBondContact O-CA 3.46Å; E131-C150 PolarHBondContact O-N 3.43Å
132	L	98.5	Very high	97	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.157	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.7	169.6	-179.2	67.8	0	0	0	109.1	R121 C124 T125 C150 I152	R121-L132 HydrophobicContact CG-CD2 4.18Å; R121-L132 VanDerWaalsContact NH1-CD2 3.25Å; C124-L132 HydrophobicContact CB-CB 3.85Å; C124-L132 HydrophobicContact CB-CD1 4.47Å; C124-L132 PolarHBondContact O-N 3.32Å; T125-L132 HydrophobicContact CG2-CB 4.47Å; L132-C150 HydrophobicContact CD1-CB 4.35Å; L132-I152 HydrophobicContact CD1-CD1 3.84Å; L132-I152 HydrophobicContact CD1-CG1 3.88Å
133	V	98.5	Very high	96.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.			trans	-123.2	156	175.9	-58.7	0	0	0	0	110.2	E131 E138 L139 A149 C150 L151	E131-V133 HydrophobicContact CG-CG1 4.2Å; E131-V133 PolarHBondContact O-N 3.26Å; V133-E138 WeakPolarHBondContact CA-OE2 3.45Å; V133-E138 HydrophobicContact CB-CB 3.75Å; V133-E138 HydrophobicContact CG1-CB 3.88Å; V133-L139 HydrophobicContact CG2-CD2 3.54Å; V133-L139 HydrophobicContact CG2-CG 3.96Å; V133-A149 HydrophobicContact CG1-CB 3.99Å; V133-A149 HydrophobicContact CG2-CB 3.77Å; V133-C150 WeakPolarHBondContact CG2-O 3.45Å; V133-C150 PolarHBondContact N-O 2.99Å; V133-L151 HydrophobicContact CG2-CD2 3.88Å; V133-L151 HydrophobicContact CG2-CG 4.04Å; V133-L151 WeakPolarHBondContact O-CD2 3.29Å
134	T	98.7	Very high	96.4	Very high	27 Å²	27	50.9 Å²	50.9	17%	0.166	27%	0.265	C	S	.	.			trans	-143.7	10.2	-175.5	78.8	0	0	0	0	113.5	E138 R176	T134-E138 PolarHBondContact N-OE2 3.18Å; T134-E138 PolarHBondContact OG1-OE2 3.09Å; T134-R176 VanDerWaalsContact CB-CZ 3.46Å; T134-R176 WeakPolarHBondContact O-CD 3.49Å; T134-R176 PolarHBondContact O-NE 3.49Å; T134-R176 PolarHBondContact OG1-NH2 3.32Å; T134-R176 VanDerWaalsContact OG1-NH2 3.1Å
135	S	98.7	Very high	96.3	Very high	19 Å²	19	56.2 Å²	56.2	13%	0.133	29%	0.288	C	S	.	.	S	Bend	trans	-147.8	163.3	175.9	62.8	0	0	0	0	111.9	Q137 E138 L139 E370	S135-Q137 VanDerWaalsContact C-N 3.27Å; S135-Q137 PolarHBondContact O-N 2.7Å; S135-E138 PolarHBondContact O-N 3.1Å; S135-E138 WeakPolarHBondContact OG-CB 3.45Å; S135-E138 VanDerWaalsContact OG-CD 3.26Å; S135-E138 VanDerWaalsContact OG-CG 3.23Å; S135-E138 WeakPolarHBondContact OG-CG 3.25Å; S135-E138 PolarHBondContact OG-N 3.33Å; S135-E138 VanDerWaalsContact OG-N 3.16Å; S135-E138 PolarHBondContact OG-OE1 3.18Å; S135-E138 VanDerWaalsContact OG-OE1 3.08Å; S135-L139 WeakPolarHBondContact O-CG 3.47Å; S135-L139 PolarHBondContact O-N 3.17Å; S135-E370 WeakPolarHBondContact CA-OE1 3.33Å; S135-E370 WeakPolarHBondContact CB-OE1 3.41Å
136	T	98.1	Very high	96.4	Very high	13 Å²	13	54 Å²	54	8%	0.08	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-34.9	175.1	58.5	0	0	0	0	112.1	L139 R140 F366 E367 E370	T136-L139 WeakPolarHBondContact O-CB 3.3Å; T136-L139 PolarHBondContact O-N 3.35Å; T136-R140 WeakPolarHBondContact O-CG 3.47Å; T136-R140 PolarHBondContact O-N 2.68Å; T136-R140 VanDerWaalsContact O-N 3.16Å; T136-F366 HydrophobicContact CG2-CB 3.58Å; T136-F366 HydrophobicContact CG2-CD1 3.56Å; T136-F366 HydrophobicContact CG2-CD2 4.21Å; T136-F366 HydrophobicContact CG2-CE1 4.28Å; T136-F366 HydrophobicContact CG2-CG 3.51Å; T136-E367 HydrophobicContact CG2-CB 4.33Å; T136-E367 HydrophobicContact CG2-CG 3.55Å; T136-E370 WeakPolarHBondContact CB-OE2 3.12Å; T136-E370 VanDerWaalsContact CG2-OE2 3.23Å; T136-E370 WeakPolarHBondContact CG2-OE2 3.31Å; T136-E370 PolarHBondContact N-OE1 3.17Å; T136-E370 VanDerWaalsContact N-OE1 3.11Å; T136-E370 PolarHBondContact OG1-OE2 3.37Å
137	Q	98.1	Very high	96.7	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-47.3	173.6	-174.1	59.2	52.7	0	0	111.2	S135 L139 R140 D141	S135-Q137 VanDerWaalsContact C-N 3.27Å; S135-Q137 PolarHBondContact O-N 2.7Å; Q137-L139 VanDerWaalsContact C-N 3.29Å; Q137-L139 PolarHBondContact O-N 2.87Å; Q137-R140 WeakPolarHBondContact O-CB 3.21Å; Q137-R140 PolarHBondContact O-N 3.01Å; Q137-R140 VanDerWaalsContact O-N 3.11Å; Q137-D141 PolarHBondContact NE2-OD1 2.76Å; Q137-D141 VanDerWaalsContact O-CG 3.25Å; Q137-D141 PolarHBondContact O-N 3.48Å
138	E	98.3	Very high	96.8	Very high	70 Å²	70	49.6 Å²	49.6	33%	0.327	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-35	177.2	-74.4	162.6	-135.6	0	0	112.3	V133 T134 S135 R140 D141 S142	V133-E138 WeakPolarHBondContact CA-OE2 3.45Å; V133-E138 HydrophobicContact CB-CB 3.75Å; V133-E138 HydrophobicContact CG1-CB 3.88Å; T134-E138 PolarHBondContact N-OE2 3.18Å; T134-E138 PolarHBondContact OG1-OE2 3.09Å; S135-E138 PolarHBondContact O-N 3.1Å; S135-E138 WeakPolarHBondContact OG-CB 3.45Å; S135-E138 VanDerWaalsContact OG-CD 3.26Å; S135-E138 VanDerWaalsContact OG-CG 3.23Å; S135-E138 WeakPolarHBondContact OG-CG 3.25Å; S135-E138 PolarHBondContact OG-N 3.33Å; S135-E138 VanDerWaalsContact OG-N 3.16Å; S135-E138 PolarHBondContact OG-OE1 3.18Å; S135-E138 VanDerWaalsContact OG-OE1 3.08Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 2.78Å; E138-D141 PolarHBondContact O-N 3.41Å; E138-S142 VanDerWaalsContact O-CB 3.26Å; E138-S142 WeakPolarHBondContact O-CB 3.09Å; E138-S142 PolarHBondContact O-N 3.11Å
139	L	96.9	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-44.8	172.4	-75.7	169.9	0	0	0	111.9	Q92 T93 V133 S135 T136 Q137 M143 A149 L151 F362 L363 F366	Q92-L139 PolarHBondContact NE2-O 2.99Å; T93-L139 HydrophobicContact CG2-CD2 3.34Å; T93-L139 WeakPolarHBondContact OG1-CD2 3.48Å; V133-L139 HydrophobicContact CG2-CD2 3.54Å; V133-L139 HydrophobicContact CG2-CG 3.96Å; S135-L139 WeakPolarHBondContact O-CG 3.47Å; S135-L139 PolarHBondContact O-N 3.17Å; T136-L139 WeakPolarHBondContact O-CB 3.3Å; T136-L139 PolarHBondContact O-N 3.35Å; Q137-L139 VanDerWaalsContact C-N 3.29Å; Q137-L139 PolarHBondContact O-N 2.87Å; L139-M143 PolarHBondContact O-N 2.91Å; L139-A149 HydrophobicContact CD2-CB 3.8Å; L139-L151 HydrophobicContact CD1-CD1 4.24Å; L139-L151 HydrophobicContact CD2-CD1 4.22Å; L139-L151 HydrophobicContact CD2-CG 4.41Å; L139-F362 HydrophobicContact CD1-CE1 4.13Å; L139-L363 HydrophobicContact CB-CD2 4.33Å; L139-L363 HydrophobicContact CD1-CD2 3.93Å; L139-F366 HydrophobicContact CD1-CD1 3.76Å; L139-F366 HydrophobicContact CD1-CE1 3.92Å
140	R	95.2	Very high	97	Very high	104 Å²	104	42.8 Å²	42.8	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-44.2	177.7	-67.4	175.9	-173.9	-66.9	1	111	T136 Q137 E138 S142 M143 T144 E367	T136-R140 WeakPolarHBondContact O-CG 3.47Å; T136-R140 PolarHBondContact O-N 2.68Å; T136-R140 VanDerWaalsContact O-N 3.16Å; Q137-R140 WeakPolarHBondContact O-CB 3.21Å; Q137-R140 PolarHBondContact O-N 3.01Å; Q137-R140 VanDerWaalsContact O-N 3.11Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 2.78Å; R140-S142 PolarHBondContact O-N 3.4Å; R140-M143 WeakPolarHBondContact O-CB 3.16Å; R140-M143 PolarHBondContact O-N 3.37Å; R140-T144 PolarHBondContact O-N 3.24Å; R140-E367 IonicContact CZ-OE1 3.98Å; R140-E367 IonicContact NE-OE1 3.59Å; R140-E367 PolarHBondContact NE-OE1 2.89Å; R140-E367 IonicContact NH2-OE1 2.92Å; R140-E367 PolarHBondContact NH2-OE1 3.31Å
141	D	96.1	Very high	97	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-43.3	178.6	-63.8	-12.7	0	0	0	111.3	Q137 E138 M143 T144 K145	Q137-D141 PolarHBondContact NE2-OD1 2.76Å; Q137-D141 VanDerWaalsContact O-CG 3.25Å; Q137-D141 PolarHBondContact O-N 3.48Å; E138-D141 PolarHBondContact O-N 3.41Å; D141-M143 VanDerWaalsContact C-N 3.3Å; D141-M143 PolarHBondContact O-N 3.27Å; D141-T144 PolarHBondContact O-N 3.19Å; D141-T144 VanDerWaalsContact O-N 3.08Å; D141-T144 PolarHBondContact O-OG1 2.77Å; D141-K145 PolarHBondContact O-N 3.28Å
142	S	94.9	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-37.6	180	-165.6	0	0	0	0	112.8	E131 E138 R140 T144 K145 G146 K147	E131-S142 VanDerWaalsContact OE2-CA 3.29Å; E131-S142 WeakPolarHBondContact OE2-CA 3.33Å; E131-S142 WeakPolarHBondContact OE2-CB 3.13Å; E131-S142 PolarHBondContact OE2-OG 2.97Å; E138-S142 VanDerWaalsContact O-CB 3.26Å; E138-S142 WeakPolarHBondContact O-CB 3.09Å; E138-S142 PolarHBondContact O-N 3.11Å; R140-S142 PolarHBondContact O-N 3.4Å; S142-T144 VanDerWaalsContact C-N 3.31Å; S142-T144 PolarHBondContact O-N 2.85Å; S142-K145 PolarHBondContact O-N 3.21Å; S142-K145 VanDerWaalsContact O-N 3.13Å; S142-G146 PolarHBondContact O-N 3.42Å; S142-K147 PolarHBondContact O-N 3.31Å; S142-K147 WeakPolarHBondContact OG-CB 3.33Å
143	M	91.1	Very high	97	Very high	69 Å²	69	38.9 Å²	38.9	34%	0.34	20%	0.202	S	C	.	.	H	α-helix	trans	-57.8	-43.4	173.1	-176.4	-177.8	-175.6	0	0	111.8	P48 Q92 L139 R140 D141 K145 G146 R359	P48-M143 HydrophobicContact CG-CE 3.81Å; Q92-M143 HydrophobicContact CG-CB 4.09Å; Q92-M143 HydrophobicContact CG-CG 4.16Å; L139-M143 PolarHBondContact O-N 2.91Å; R140-M143 WeakPolarHBondContact O-CB 3.16Å; R140-M143 PolarHBondContact O-N 3.37Å; D141-M143 VanDerWaalsContact C-N 3.3Å; D141-M143 PolarHBondContact O-N 3.27Å; M143-K145 PolarHBondContact O-N 2.86Å; M143-G146 PolarHBondContact O-N 3.06Å; M143-G146 VanDerWaalsContact O-N 3.1Å; M143-R359 VanDerWaalsContact CE-NH1 3.25Å; M143-R359 PolarHBondContact SD-NH1 2.77Å
144	T	93.1	Very high	97.1	Very high	121 Å²	121	38.9 Å²	38.9	74%	0.742	20%	0.202	S	C	*	.	H	α-helix	trans	-66.2	-26.7	178.9	70.8	0	0	0	0	113	R140 D141 S142 G146	R140-T144 PolarHBondContact O-N 3.24Å; D141-T144 PolarHBondContact O-N 3.19Å; D141-T144 VanDerWaalsContact O-N 3.08Å; D141-T144 PolarHBondContact O-OG1 2.77Å; S142-T144 VanDerWaalsContact C-N 3.31Å; S142-T144 PolarHBondContact O-N 2.85Å; T144-G146 VanDerWaalsContact C-N 3.29Å
145	K	95.6	Very high	97.1	Very high	115 Å²	115	37.7 Å²	37.7	50%	0.5	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.1	176.6	-60.2	172.6	-163.4	171.2	0	113	E131 D141 S142 M143 K147	E131-K145 IonicContact OE1-NZ 2.66Å; E131-K145 PolarHBondContact OE1-NZ 3.05Å; E131-K145 IonicContact OE2-NZ 3.78Å; D141-K145 PolarHBondContact O-N 3.28Å; S142-K145 PolarHBondContact O-N 3.21Å; S142-K145 VanDerWaalsContact O-N 3.13Å; M143-K145 PolarHBondContact O-N 2.86Å; K145-K147 HydrophobicContact CB-CG 3.87Å; K145-K147 PolarHBondContact O-N 2.9Å
146	G	95	Very high	97	Very high	43 Å²	43	36.8 Å²	36.8	44%	0.443	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	24	-175.2	0	0	0	0	0	113.5	R87 S142 M143 T144	R87-G146 PolarHBondContact NH1-O 3.28Å; R87-G146 PolarHBondContact NH2-O 3.04Å; S142-G146 PolarHBondContact O-N 3.42Å; M143-G146 PolarHBondContact O-N 3.06Å; M143-G146 VanDerWaalsContact O-N 3.1Å; T144-G146 VanDerWaalsContact C-N 3.29Å
147	K	97.5	Very high	97	Very high	63 Å²	63	36.2 Å²	36.2	27%	0.274	19%	0.185	S	C	.	.			trans	-90.4	155	177.6	-62.7	-76.6	-174.3	151.6	0	110.6	P128 D129 E131 S142 K145	P128-K147 VanDerWaalsContact O-CD 3.23Å; P128-K147 WeakPolarHBondContact O-CD 3.49Å; P128-K147 VanDerWaalsContact O-CE 3.29Å; P128-K147 WeakPolarHBondContact O-CE 3.48Å; P128-K147 PolarHBondContact O-NZ 3.45Å; D129-K147 WeakPolarHBondContact O-CA 3.39Å; E131-K147 HydrophobicContact CB-CB 3.98Å; E131-K147 HydrophobicContact CB-CG 4.29Å; S142-K147 PolarHBondContact O-N 3.31Å; S142-K147 WeakPolarHBondContact OG-CB 3.33Å; K145-K147 HydrophobicContact CB-CG 3.87Å; K145-K147 PolarHBondContact O-N 2.9Å
148	I	98.5	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.9	165.7	-56.4	165.2	0	0	0	106.8	I83 L86 R87 Q92 D129 F130 E131	I83-I148 HydrophobicContact CG2-CD1 4.43Å; L86-I148 HydrophobicContact CB-CD1 3.79Å; L86-I148 HydrophobicContact CD1-CD1 4.12Å; R87-I148 HydrophobicContact CG-CD1 4.42Å; Q92-I148 CarbonylContact O-C 3.55Å; Q92-I148 WeakPolarHBondContact O-CA 3.47Å; D129-I148 PolarHBondContact O-N 3.25Å; F130-I148 CarbonylContact C-O 3.56Å; F130-I148 VanDerWaalsContact CA-O 3.25Å; F130-I148 WeakPolarHBondContact CA-O 3.48Å; F130-I148 HydrophobicContact CD1-CB 3.61Å; F130-I148 HydrophobicContact CD1-CD1 4.5Å; F130-I148 HydrophobicContact CD1-CG2 3.77Å; F130-I148 WeakPolarHBondContact CD1-O 3.36Å; F130-I148 HydrophobicContact CE1-CB 3.78Å; F130-I148 HydrophobicContact CE1-CD1 4Å; F130-I148 HydrophobicContact CE1-CG2 3.62Å; F130-I148 HydrophobicContact CZ-CD1 4.34Å; E131-I148 PolarHBondContact N-O 3.03Å
149	A	98.6	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.2	177.5	0	0	0	0	0	110.4	Q92 T93 Q94 E131 V133 L139	Q92-A149 PolarHBondContact O-N 2.84Å; T93-A149 WeakPolarHBondContact CA-O 3.28Å; T93-A149 HydrophobicContact CG2-CB 4.21Å; Q94-A149 PolarHBondContact N-O 2.94Å; E131-A149 CarbonylContact O-C 3.4Å; E131-A149 WeakPolarHBondContact O-CA 3.46Å; V133-A149 HydrophobicContact CG1-CB 3.99Å; V133-A149 HydrophobicContact CG2-CB 3.77Å; L139-A149 HydrophobicContact CD2-CB 3.8Å
150	C	98.4	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.2	173.9	-59.1	0	0	0	0	110.6	F96 C124 F130 E131 L132 V133	F96-C150 HydrophobicContact CD2-CB 4.08Å; F96-C150 HydrophobicContact CE2-CB 4.19Å; C124-C150 HydrophobicContact CB-CB 3.59Å; C124-C150 WeakPolarHBondContact CB-SG 3.05Å; C124-C150 WeakPolarHBondContact SG-CB 3.18Å; C124-C150 CovalentContact SG-SG 2.02Å; C124-C150 PolarHBondContact SG-SG 3.15Å; F130-C150 VanDerWaalsContact CD1-SG 3.57Å; E131-C150 PolarHBondContact O-N 3.43Å; L132-C150 HydrophobicContact CD1-CB 4.35Å; V133-C150 WeakPolarHBondContact CG2-O 3.45Å; V133-C150 PolarHBondContact N-O 2.99Å
151	L	98.8	Very high	97.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	151.9	161.7	-71	166.2	0	0	0	109.3	T93 Q94 M95 F96 V133 L139 R176 F362 F366	T93-L151 HydrophobicContact CG2-CD1 3.82Å; T93-L151 HydrophobicContact CG2-CG 4.21Å; Q94-L151 PolarHBondContact O-N 3.01Å; M95-L151 WeakPolarHBondContact CA-O 3.31Å; M95-L151 HydrophobicContact CB-CB 4.13Å; M95-L151 HydrophobicContact CG-CB 4.04Å; F96-L151 PolarHBondContact N-O 2.88Å; V133-L151 HydrophobicContact CG2-CD2 3.88Å; V133-L151 HydrophobicContact CG2-CG 4.04Å; V133-L151 WeakPolarHBondContact O-CD2 3.29Å; L139-L151 HydrophobicContact CD1-CD1 4.24Å; L139-L151 HydrophobicContact CD2-CD1 4.22Å; L139-L151 HydrophobicContact CD2-CG 4.41Å; L151-R176 HydrophobicContact CD2-CB 4.36Å; L151-R176 HydrophobicContact CD2-CG 4.32Å; L151-F362 HydrophobicContact CD1-CE1 3.77Å; L151-F362 HydrophobicContact CD1-CZ 3.67Å; L151-F366 HydrophobicContact CD1-CE1 4.37Å; L151-F366 HydrophobicContact CD2-CE1 3.91Å; L151-F366 HydrophobicContact CD2-CZ 4.35Å
152	I	98.9	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.5	176.9	-49.8	-175.8	0	0	0	108.7	V98 I117 I120 R121 L132 V175 R176	V98-I152 HydrophobicContact CG2-CG2 3.4Å; I117-I152 HydrophobicContact CG1-CG2 4.4Å; I117-I152 HydrophobicContact CG2-CD1 4.35Å; I120-I152 HydrophobicContact CD1-CG2 4.35Å; I120-I152 HydrophobicContact CG2-CD1 4.11Å; I120-I152 HydrophobicContact CG2-CG1 3.86Å; R121-I152 HydrophobicContact CG-CD1 3.78Å; L132-I152 HydrophobicContact CD1-CD1 3.84Å; L132-I152 HydrophobicContact CD1-CG1 3.88Å; I152-V175 HydrophobicContact CB-CG2 4.36Å; I152-V175 HydrophobicContact CG2-CG2 3.85Å; I152-V175 WeakPolarHBondContact O-CA 3.38Å; I152-R176 PolarHBondContact O-N 3.07Å
153	S	98.8	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.8	173	-174	0	0	0	0	110.3	F96 A97 V98 S177	F96-S153 PolarHBondContact O-N 3.31Å; A97-S153 CarbonylContact C-O 3.56Å; A97-S153 WeakPolarHBondContact CA-O 3.28Å; V98-S153 PolarHBondContact N-O 2.5Å; S153-S177 CarbonylContact C-O 3.49Å; S153-S177 VanDerWaalsContact CA-O 3.31Å; S153-S177 WeakPolarHBondContact CA-O 3.04Å; S153-S177 VanDerWaalsContact OG-CB 3.23Å; S153-S177 WeakPolarHBondContact OG-CB 3.41Å; S153-S177 PolarHBondContact OG-OG 3.37Å; S153-S177 VanDerWaalsContact OG-OG 3.07Å
154	I	98.9	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.9	170.7	-71.3	174.8	0	0	0	109.2	V98 T113 S159 F170 V175 S177 M178 S179	V98-I154 HydrophobicContact CB-CG1 4.1Å; V98-I154 HydrophobicContact CG1-CG1 4.1Å; T113-I154 HydrophobicContact CG2-CD1 3.85Å; T113-I154 HydrophobicContact CG2-CG1 4.16Å; I154-S159 VanDerWaalsContact CG2-CB 3.48Å; I154-S159 WeakPolarHBondContact CG2-OG 3.5Å; I154-F170 HydrophobicContact CD1-CB 3.78Å; I154-F170 HydrophobicContact CD1-CD1 4.47Å; I154-F170 HydrophobicContact CD1-CD2 3.33Å; I154-F170 HydrophobicContact CD1-CE2 3.97Å; I154-F170 HydrophobicContact CD1-CG 3.63Å; I154-V175 HydrophobicContact CB-CG1 4.49Å; I154-V175 HydrophobicContact CD1-CG1 4.02Å; I154-V175 HydrophobicContact CD1-CG2 4Å; I154-V175 HydrophobicContact CG1-CG1 3.9Å; I154-V175 HydrophobicContact CG1-CG2 4.03Å; I154-S177 PolarHBondContact N-O 2.88Å; I154-M178 HydrophobicContact CB-CB 4.18Å; I154-M178 HydrophobicContact CB-CG 3.88Å; I154-M178 HydrophobicContact CG2-CG 3.8Å; I154-M178 HydrophobicContact CG2-SD 4.24Å; I154-M178 CarbonylContact O-C 3.59Å; I154-M178 VanDerWaalsContact O-CA 3.25Å; I154-M178 WeakPolarHBondContact O-CA 3.36Å; I154-S179 PolarHBondContact O-N 3.32Å; I154-S179 PolarHBondContact O-OG 2.9Å
155	E	98.8	Very high	98.1	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.014	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	95.4	174.2	-169.2	-174.6	-158.2	0	0	110.3	H53 V98 Y99 H182 H230 H251	H53-E155 VanDerWaalsContact CE1-CD 3.44Å; H53-E155 IonicContact CE1-OE1 3.92Å; H53-E155 IonicContact CE1-OE2 3.55Å; H53-E155 IonicContact NE2-OE1 3.16Å; H53-E155 IonicContact NE2-OE2 3.26Å; V98-E155 PolarHBondContact O-N 2.9Å; Y99-E155 VanDerWaalsContact CB-OE2 3.29Å; Y99-E155 WeakPolarHBondContact CB-OE2 3.31Å; Y99-E155 HydrophobicContact CD2-CB 4.26Å; Y99-E155 HydrophobicContact CD2-CG 4.34Å; Y99-E155 WeakPolarHBondContact CD2-OE2 3.4Å; E155-H182 IonicContact OE1-CD2 3.85Å; E155-H182 PolarHBondContact OE1-CD2 3.2Å; E155-H230 IonicContact OE1-CD2 3.71Å; E155-H230 IonicContact OE1-NE2 2.97Å; E155-H230 PolarHBondContact OE1-NE2 2.85Å; E155-H251 IonicContact OE1-CE1 3.38Å; E155-H251 PolarHBondContact OE1-CE1 3.21Å; E155-H251 IonicContact OE1-NE2 2.66Å; E155-H251 PolarHBondContact OE1-NE2 2.89Å
156	G	98.3	Very high	98.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.088	C	C	.	.			trans	109.9	123.2	175	0	0	0	0	0	113.8	H158 S159 S179	G156-H158 PolarHBondContact O-N 2.92Å; G156-H158 VanDerWaalsContact O-N 3.15Å; G156-S159 VanDerWaalsContact O-CB 3.24Å; G156-S159 WeakPolarHBondContact O-CB 3.47Å; G156-S159 PolarHBondContact O-N 2.6Å; G156-S159 VanDerWaalsContact O-N 3.09Å; G156-S159 PolarHBondContact O-OG 2.89Å; G156-S179 CarbonylContact C-O 3.45Å; G156-S179 VanDerWaalsContact C-O 3.28Å; G156-S179 WeakPolarHBondContact CA-O 3.45Å; G156-S179 PolarHBondContact N-O 3.44Å; G156-S179 VanDerWaalsContact N-O 3.12Å
157	G	98.1	Very high	98.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-66	-13.1	-178	0	0	0	0	0	114.6	S159 I160 S179 L180	G157-S159 PolarHBondContact O-N 3.23Å; G157-S159 VanDerWaalsContact O-N 3.15Å; G157-I160 WeakPolarHBondContact O-CG1 3.22Å; G157-I160 PolarHBondContact O-N 3.41Å; G157-I160 VanDerWaalsContact O-N 3.14Å; G157-S179 PolarHBondContact N-O 2.99Å; G157-L180 WeakPolarHBondContact CA-O 3.42Å; G157-L180 PolarHBondContact N-O 3.07Å
158	H	98.2	Very high	98.5	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.019	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-60.2	-21.7	170.1	58.9	-71.6	0	0	0	112.5	V100 Q105 G156 I160 D161	V100-H158 WeakPolarHBondContact CG2-NE2 3.17Å; V100-H158 PolarHBondContact O-NE2 3.35Å; Q105-H158 HydrophobicContact CB-CB 3.85Å; Q105-H158 HydrophobicContact CG-CB 3.65Å; G156-H158 PolarHBondContact O-N 2.92Å; G156-H158 VanDerWaalsContact O-N 3.15Å; H158-I160 PolarHBondContact O-N 3.08Å; H158-D161 PolarHBondContact O-N 3.48Å
159	S	98.8	Very high	98.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-57.7	-31.3	173.5	-66.6	0	0	0	0	114	V110 T113 I154 G156 G157 D161 F170	V110-S159 WeakPolarHBondContact CG2-O 3.22Å; T113-S159 VanDerWaalsContact OG1-CB 3.28Å; T113-S159 WeakPolarHBondContact OG1-CB 3.35Å; T113-S159 PolarHBondContact OG1-OG 3.46Å; T113-S159 VanDerWaalsContact OG1-OG 3.09Å; I154-S159 VanDerWaalsContact CG2-CB 3.48Å; I154-S159 WeakPolarHBondContact CG2-OG 3.5Å; G156-S159 VanDerWaalsContact O-CB 3.24Å; G156-S159 WeakPolarHBondContact O-CB 3.47Å; G156-S159 PolarHBondContact O-N 2.6Å; G156-S159 VanDerWaalsContact O-N 3.09Å; G156-S159 PolarHBondContact O-OG 2.89Å; G157-S159 PolarHBondContact O-N 3.23Å; G157-S159 VanDerWaalsContact O-N 3.15Å; S159-D161 VanDerWaalsContact C-N 3.34Å; S159-F170 VanDerWaalsContact O-CE2 3.29Å; S159-F170 WeakPolarHBondContact O-CE2 3.48Å; S159-F170 WeakPolarHBondContact O-CZ 3.25Å
160	I	98.6	Very high	98.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-87.7	-4.8	178.3	65.5	156.1	0	0	0	112.8	G157 H158 S162 S163 A166 L167 F170 M178 W188 V215	G157-I160 WeakPolarHBondContact O-CG1 3.22Å; G157-I160 PolarHBondContact O-N 3.41Å; G157-I160 VanDerWaalsContact O-N 3.14Å; H158-I160 PolarHBondContact O-N 3.08Å; I160-S162 PolarHBondContact O-N 2.87Å; I160-S162 VanDerWaalsContact O-N 3.1Å; I160-S163 WeakPolarHBondContact O-CB 3.41Å; I160-S163 PolarHBondContact O-N 3.03Å; I160-A166 HydrophobicContact CB-CB 4.3Å; I160-L167 HydrophobicContact CG2-CB 3.98Å; I160-L167 HydrophobicContact CG2-CD1 4.15Å; I160-F170 HydrophobicContact CG2-CD2 3.83Å; I160-F170 HydrophobicContact CG2-CE2 3.81Å; I160-M178 HydrophobicContact CG2-SD 3.78Å; I160-W188 HydrophobicContact CD1-CH2 4.09Å; I160-W188 HydrophobicContact CD1-CZ2 3.77Å; I160-W188 HydrophobicContact CG1-CH2 4.49Å; I160-W188 HydrophobicContact CG1-CZ2 3.92Å; I160-V215 HydrophobicContact CD1-CG2 4.22Å
161	D	97.8	Very high	98.6	Very high	35 Å²	35	16 Å²	16	19%	0.187	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.6	47.7	-174.5	-167	34.6	0	0	0	112.3	H106 V110 H158 S159 S163 R396	H106-D161 IonicContact ND1-OD1 3.99Å; V110-D161 HydrophobicContact CG2-CB 3.66Å; H158-D161 PolarHBondContact O-N 3.48Å; S159-D161 VanDerWaalsContact C-N 3.34Å; D161-S163 VanDerWaalsContact C-N 3.29Å; D161-S163 PolarHBondContact O-N 3.16Å; D161-R396 PolarHBondContact O-NH2 2.83Å; D161-R396 IonicContact OD1-NH2 3.34Å; D161-R396 PolarHBondContact OD1-NH2 3.24Å; D161-R396 IonicContact OD2-CZ 3.63Å; D161-R396 IonicContact OD2-NE 2.99Å; D161-R396 IonicContact OD2-NH2 2.7Å; D161-R396 PolarHBondContact OD2-NH2 2.96Å
162	S	97.4	Very high	98.6	Very high	8 Å²	8	22.8 Å²	22.8	6%	0.056	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	44	-176.9	-49.9	0	0	0	0	114	I160 W188 F211	I160-S162 PolarHBondContact O-N 2.87Å; I160-S162 VanDerWaalsContact O-N 3.1Å; S162-W188 PolarHBondContact OG-NE1 3.19Å; S162-W188 VanDerWaalsContact OG-NE1 3.12Å; S162-F211 WeakPolarHBondContact O-CZ 3.07Å
163	S	98	Very high	98.6	Very high	38 Å²	38	25.7 Å²	25.7	27%	0.266	14%	0.135	S	C	.	.			trans	-126.6	113.9	179.7	-178.7	0	0	0	0	111.7	I160 D161 P165 A166 L167	I160-S163 WeakPolarHBondContact O-CB 3.41Å; I160-S163 PolarHBondContact O-N 3.03Å; D161-S163 VanDerWaalsContact C-N 3.29Å; D161-S163 PolarHBondContact O-N 3.16Å; S163-P165 VanDerWaalsContact OG-CD 3.31Å; S163-P165 WeakPolarHBondContact OG-CD 3.39Å; S163-A166 WeakPolarHBondContact O-CB 3.09Å; S163-A166 PolarHBondContact O-N 2.88Å; S163-A166 PolarHBondContact OG-N 2.89Å; S163-L167 PolarHBondContact O-N 3.1Å; S163-L167 VanDerWaalsContact O-N 3.13Å
164	L	98.8	Very high	98.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-36	171.4	-60.1	-178.7	0	0	0	113	A166 L167 R168 F211 A214 V215 E218 S382 E384	L164-A166 PolarHBondContact O-N 3.04Å; L164-L167 HydrophobicContact CD2-CD2 4.26Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 PolarHBondContact O-N 3.11Å; L164-R168 WeakPolarHBondContact O-CG 3.39Å; L164-R168 PolarHBondContact O-N 3.36Å; L164-F211 HydrophobicContact CD2-CE2 4.48Å; L164-F211 HydrophobicContact CD2-CZ 4.33Å; L164-F211 HydrophobicContact CG-CE2 4.06Å; L164-F211 HydrophobicContact CG-CZ 4.26Å; L164-A214 HydrophobicContact CD1-CB 4.26Å; L164-V215 HydrophobicContact CD2-CB 4.35Å; L164-V215 HydrophobicContact CD2-CG2 3.76Å; L164-E218 HydrophobicContact CD2-CB 4.15Å; L164-E218 HydrophobicContact CD2-CG 4.43Å; L164-S382 WeakPolarHBondContact CD1-OG 3.47Å; L164-E384 HydrophobicContact CD1-CB 4.19Å; L164-E384 WeakPolarHBondContact CD1-O 3.3Å
165	P	98.7	Very high	98.6	Very high	69 Å²	69	25.9 Å²	25.9	45%	0.448	14%	0.136	S	C	.	.	H	α-helix	trans	-54.4	-46.6	167.5	-28.5	33.7	0	0	0	113.6	S163 L167 R168 M169	S163-P165 VanDerWaalsContact OG-CD 3.31Å; S163-P165 WeakPolarHBondContact OG-CD 3.39Å; P165-L167 PolarHBondContact O-N 3.23Å; P165-R168 PolarHBondContact O-N 3.01Å; P165-M169 WeakPolarHBondContact O-CG 3.32Å; P165-M169 PolarHBondContact O-N 3.22Å
166	A	98.6	Very high	98.6	Very high	16 Å²	16	26.8 Å²	26.8	13%	0.132	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-44.8	178	0	0	0	0	0	111.6	I160 S163 L164 R168 M169 F170	I160-A166 HydrophobicContact CB-CB 4.3Å; S163-A166 WeakPolarHBondContact O-CB 3.09Å; S163-A166 PolarHBondContact O-N 2.88Å; S163-A166 PolarHBondContact OG-N 2.89Å; L164-A166 PolarHBondContact O-N 3.04Å; A166-R168 VanDerWaalsContact C-N 3.34Å; A166-R168 PolarHBondContact O-N 2.94Å; A166-M169 PolarHBondContact O-N 3.04Å; A166-M169 VanDerWaalsContact O-N 3.15Å; A166-F170 HydrophobicContact CB-CE2 4.32Å; A166-F170 VanDerWaalsContact O-CD2 3.31Å; A166-F170 WeakPolarHBondContact O-CD2 3.4Å; A166-F170 VanDerWaalsContact O-CG 3.3Å; A166-F170 WeakPolarHBondContact O-CG 3.34Å; A166-F170 PolarHBondContact O-N 3.01Å
167	L	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-53.7	-48	174.1	179.3	68.2	0	0	0	112.1	I160 S163 L164 P165 F170 Y171 M178 V215 E218 M219 L222 M224	I160-L167 HydrophobicContact CG2-CB 3.98Å; I160-L167 HydrophobicContact CG2-CD1 4.15Å; S163-L167 PolarHBondContact O-N 3.1Å; S163-L167 VanDerWaalsContact O-N 3.13Å; L164-L167 HydrophobicContact CD2-CD2 4.26Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 PolarHBondContact O-N 3.11Å; P165-L167 PolarHBondContact O-N 3.23Å; L167-F170 PolarHBondContact O-N 2.92Å; L167-Y171 PolarHBondContact O-N 3.05Å; L167-M178 HydrophobicContact CD1-CE 3.8Å; L167-M178 HydrophobicContact CD1-SD 3.98Å; L167-V215 HydrophobicContact CD2-CG1 4.3Å; L167-E218 HydrophobicContact CD2-CB 4.13Å; L167-E218 HydrophobicContact CD2-CG 3.96Å; L167-M219 HydrophobicContact CD1-CG 4.24Å; L167-M219 HydrophobicContact CD2-CG 3.89Å; L167-L222 HydrophobicContact CD2-CD1 4.48Å; L167-L222 HydrophobicContact CG-CD1 4.26Å; L167-M224 HydrophobicContact CD1-CE 3.87Å; L167-M224 HydrophobicContact CD1-SD 3.58Å; L167-M224 VanDerWaalsContact CD1-SD 3.58Å
168	R	98.9	Very high	98.6	Very high	45 Å²	45	26.8 Å²	26.8	17%	0.17	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-41.2	177.3	-73.6	-170.4	-75.2	-88.3	6.2	112.5	L164 P165 A166 Y171 Q172 E218 L222 S382	L164-R168 WeakPolarHBondContact O-CG 3.39Å; L164-R168 PolarHBondContact O-N 3.36Å; P165-R168 PolarHBondContact O-N 3.01Å; A166-R168 VanDerWaalsContact C-N 3.34Å; A166-R168 PolarHBondContact O-N 2.94Å; R168-Y171 WeakPolarHBondContact O-CB 3.38Å; R168-Y171 PolarHBondContact O-N 2.9Å; R168-Q172 WeakPolarHBondContact O-CG 3.29Å; R168-Q172 PolarHBondContact O-N 2.97Å; R168-E218 WeakPolarHBondContact CD-OE1 3.49Å; R168-E218 HydrophobicContact CG-CG 4.46Å; R168-E218 WeakPolarHBondContact CG-OE1 3.45Å; R168-E218 IonicContact CZ-OE1 2.84Å; R168-E218 IonicContact NE-OE1 2.68Å; R168-E218 IonicContact NH1-OE1 2.78Å; R168-E218 PolarHBondContact NH1-OE1 2.89Å; R168-L222 HydrophobicContact CG-CD1 4.16Å; R168-L222 HydrophobicContact CG-CD2 4.3Å; R168-S382 PolarHBondContact NH1-O 3.06Å
169	M	98.9	Very high	98.6	Very high	85 Å²	85	26.6 Å²	26.6	42%	0.419	14%	0.139	S	C	.	.	H	α-helix	trans	-65.4	-40.8	178.1	-66.6	-56.9	90.3	0	0	111.2	P165 A166 Y171 Q172 L173	P165-M169 WeakPolarHBondContact O-CG 3.32Å; P165-M169 PolarHBondContact O-N 3.22Å; A166-M169 PolarHBondContact O-N 3.04Å; A166-M169 VanDerWaalsContact O-N 3.15Å; M169-Y171 VanDerWaalsContact C-N 3.33Å; M169-Y171 PolarHBondContact O-N 2.8Å; M169-Q172 VanDerWaalsContact CE-CD 3.45Å; M169-Q172 HydrophobicContact CE-CG 4.33Å; M169-Q172 WeakPolarHBondContact O-CB 3.47Å; M169-Q172 PolarHBondContact O-N 3.08Å; M169-L173 WeakPolarHBondContact O-CG 3.45Å; M169-L173 PolarHBondContact O-N 3.38Å
170	F	98.9	Very high	98.6	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-40.7	173	-63.7	-32.3	0	0	0	112.6	V110 T113 L114 I117 I154 S159 I160 A166 L167 Q172 L173 G174 V175	V110-F170 HydrophobicContact CG1-CZ 4.13Å; T113-F170 HydrophobicContact CG2-CD1 4.36Å; T113-F170 HydrophobicContact CG2-CD2 4.45Å; T113-F170 HydrophobicContact CG2-CE1 3.82Å; T113-F170 HydrophobicContact CG2-CE2 3.91Å; T113-F170 HydrophobicContact CG2-CZ 3.56Å; L114-F170 HydrophobicContact CD2-CD1 4.22Å; L114-F170 HydrophobicContact CD2-CE1 3.77Å; L114-F170 HydrophobicContact CG-CE1 4.02Å; I117-F170 HydrophobicContact CD1-CB 4.35Å; I117-F170 HydrophobicContact CD1-CD1 3.48Å; I117-F170 VanDerWaalsContact CD1-CD1 3.48Å; I117-F170 HydrophobicContact CD1-CE1 4.02Å; I117-F170 HydrophobicContact CD1-CG 4.09Å; I154-F170 HydrophobicContact CD1-CB 3.78Å; I154-F170 HydrophobicContact CD1-CD1 4.47Å; I154-F170 HydrophobicContact CD1-CD2 3.33Å; I154-F170 HydrophobicContact CD1-CE2 3.97Å; I154-F170 HydrophobicContact CD1-CG 3.63Å; S159-F170 VanDerWaalsContact O-CE2 3.29Å; S159-F170 WeakPolarHBondContact O-CE2 3.48Å; S159-F170 WeakPolarHBondContact O-CZ 3.25Å; I160-F170 HydrophobicContact CG2-CD2 3.83Å; I160-F170 HydrophobicContact CG2-CE2 3.81Å; A166-F170 HydrophobicContact CB-CE2 4.32Å; A166-F170 VanDerWaalsContact O-CD2 3.31Å; A166-F170 WeakPolarHBondContact O-CD2 3.4Å; A166-F170 VanDerWaalsContact O-CG 3.3Å; A166-F170 WeakPolarHBondContact O-CG 3.34Å; A166-F170 PolarHBondContact O-N 3.01Å; L167-F170 PolarHBondContact O-N 2.92Å; F170-Q172 VanDerWaalsContact C-N 3.33Å; F170-Q172 PolarHBondContact O-N 2.66Å; F170-L173 HydrophobicContact CD1-CD1 4.39Å; F170-L173 CarbonylContact O-C 3.44Å; F170-L173 PolarHBondContact O-N 2.81Å; F170-L173 VanDerWaalsContact O-N 3.11Å; F170-G174 PolarHBondContact O-N 3.23Å; F170-V175 HydrophobicContact CB-CB 4.24Å; F170-V175 HydrophobicContact CB-CG2 3.95Å; F170-V175 VanDerWaalsContact O-CB 3.29Å; F170-V175 WeakPolarHBondContact O-CB 3.43Å; F170-V175 VanDerWaalsContact O-CG2 3.31Å; F170-V175 WeakPolarHBondContact O-CG2 3.42Å; F170-V175 PolarHBondContact O-N 2.7Å
171	Y	98.9	Very high	98.5	Very high	28 Å²	28	26.6 Å²	26.6	11%	0.11	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-43.4	173.5	-173.1	-91.7	0	0	0	112.4	L167 R168 M169 L173 G174 V175 R176 L222 M224	L167-Y171 PolarHBondContact O-N 3.05Å; R168-Y171 WeakPolarHBondContact O-CB 3.38Å; R168-Y171 PolarHBondContact O-N 2.9Å; M169-Y171 VanDerWaalsContact C-N 3.33Å; M169-Y171 PolarHBondContact O-N 2.8Å; Y171-L173 VanDerWaalsContact C-N 3.26Å; Y171-L173 PolarHBondContact O-N 2.82Å; Y171-G174 PolarHBondContact O-N 2.78Å; Y171-V175 VanDerWaalsContact CD2-O 3.31Å; Y171-V175 WeakPolarHBondContact CD2-O 3.32Å; Y171-R176 PolarHBondContact O-NH1 2.93Å; Y171-L222 HydrophobicContact CD1-CD2 4.03Å; Y171-L222 HydrophobicContact CD2-CB 3.98Å; Y171-L222 HydrophobicContact CE2-CB 4.11Å; Y171-L222 VanDerWaalsContact CE2-O 3.28Å; Y171-L222 WeakPolarHBondContact CE2-O 3.46Å; Y171-L222 HydrophobicContact CG-CB 4.22Å; Y171-L222 HydrophobicContact CG-CD1 4.33Å; Y171-L222 HydrophobicContact CG-CD2 4.12Å; Y171-L222 HydrophobicContact CG-CG 4.47Å; Y171-L222 PolarHBondContact OH-O 3.05Å; Y171-M224 HydrophobicContact CD2-CB 4.06Å; Y171-M224 HydrophobicContact CD2-CE 3.77Å; Y171-M224 HydrophobicContact CE2-CB 4.34Å; Y171-M224 HydrophobicContact CG-CE 4.22Å
172	Q	98.8	Very high	98.4	Very high	144 Å²	144	26 Å²	26	67%	0.673	14%	0.135	S	C	*	.	H	α-helix	trans	-63.6	-32.1	175.7	-71.3	-175.9	-5.8	0	0	112.6	R168 M169 F170 G174	R168-Q172 WeakPolarHBondContact O-CG 3.29Å; R168-Q172 PolarHBondContact O-N 2.97Å; M169-Q172 VanDerWaalsContact CE-CD 3.45Å; M169-Q172 HydrophobicContact CE-CG 4.33Å; M169-Q172 WeakPolarHBondContact O-CB 3.47Å; M169-Q172 PolarHBondContact O-N 3.08Å; F170-Q172 VanDerWaalsContact C-N 3.33Å; F170-Q172 PolarHBondContact O-N 2.66Å; Q172-G174 PolarHBondContact O-N 3.08Å
173	L	98.8	Very high	98.1	Very high	61 Å²	61	28.3 Å²	28.3	32%	0.319	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.2	174.1	-64.8	170.9	0	0	0	113.5	L114 I117 R121 M169 F170 Y171	L114-L173 HydrophobicContact CD2-CD1 3.46Å; L114-L173 VanDerWaalsContact CD2-CD1 3.46Å; I117-L173 HydrophobicContact CD1-CD1 4.47Å; I117-L173 HydrophobicContact CG2-CB 3.95Å; R121-L173 WeakPolarHBondContact CD-O 3.35Å; R121-L173 PolarHBondContact NH1-O 3.11Å; M169-L173 WeakPolarHBondContact O-CG 3.45Å; M169-L173 PolarHBondContact O-N 3.38Å; F170-L173 HydrophobicContact CD1-CD1 4.39Å; F170-L173 CarbonylContact O-C 3.44Å; F170-L173 PolarHBondContact O-N 2.81Å; F170-L173 VanDerWaalsContact O-N 3.11Å; Y171-L173 VanDerWaalsContact C-N 3.26Å; Y171-L173 PolarHBondContact O-N 2.82Å
174	G	98.7	Very high	97.8	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.5	3.5	173.2	0	0	0	0	0	114.9	F170 Y171 Q172 R176	F170-G174 PolarHBondContact O-N 3.23Å; Y171-G174 PolarHBondContact O-N 2.78Å; Q172-G174 PolarHBondContact O-N 3.08Å; G174-R176 PolarHBondContact O-N 3.11Å
175	V	98.9	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	132.5	174.9	179	0	0	0	0	110.3	I117 I152 I154 F170 Y171 S177 M224	I117-V175 HydrophobicContact CD1-CG2 3.83Å; I117-V175 HydrophobicContact CG1-CG2 4.15Å; I152-V175 HydrophobicContact CB-CG2 4.36Å; I152-V175 HydrophobicContact CG2-CG2 3.85Å; I152-V175 WeakPolarHBondContact O-CA 3.38Å; I154-V175 HydrophobicContact CB-CG1 4.49Å; I154-V175 HydrophobicContact CD1-CG1 4.02Å; I154-V175 HydrophobicContact CD1-CG2 4Å; I154-V175 HydrophobicContact CG1-CG1 3.9Å; I154-V175 HydrophobicContact CG1-CG2 4.03Å; F170-V175 HydrophobicContact CB-CB 4.24Å; F170-V175 HydrophobicContact CB-CG2 3.95Å; F170-V175 VanDerWaalsContact O-CB 3.29Å; F170-V175 WeakPolarHBondContact O-CB 3.43Å; F170-V175 VanDerWaalsContact O-CG2 3.31Å; F170-V175 WeakPolarHBondContact O-CG2 3.42Å; F170-V175 PolarHBondContact O-N 2.7Å; Y171-V175 VanDerWaalsContact CD2-O 3.31Å; Y171-V175 WeakPolarHBondContact CD2-O 3.32Å; V175-S177 WeakPolarHBondContact CG1-O 3.48Å; V175-M224 HydrophobicContact CB-CE 4.27Å; V175-M224 HydrophobicContact CG1-CE 3.94Å; V175-M224 HydrophobicContact CG1-SD 4.33Å
176	R	98.9	Very high	97.1	Very high	22 Å²	22	28.1 Å²	28.1	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-6.7	-179.9	-69.5	-63	176.2	-87.4	1.2	114.6	T134 L151 I152 Y171 G174 I225 F366	T134-R176 VanDerWaalsContact CB-CZ 3.46Å; T134-R176 WeakPolarHBondContact O-CD 3.49Å; T134-R176 PolarHBondContact O-NE 3.49Å; T134-R176 PolarHBondContact OG1-NH2 3.32Å; T134-R176 VanDerWaalsContact OG1-NH2 3.1Å; L151-R176 HydrophobicContact CD2-CB 4.36Å; L151-R176 HydrophobicContact CD2-CG 4.32Å; I152-R176 PolarHBondContact O-N 3.07Å; Y171-R176 PolarHBondContact O-NH1 2.93Å; G174-R176 PolarHBondContact O-N 3.11Å; R176-I225 WeakPolarHBondContact O-CB 3.37Å; R176-I225 WeakPolarHBondContact O-CG1 3.45Å; R176-I225 PolarHBondContact O-N 3.2Å; R176-F366 HydrophobicContact CB-CE2 4.48Å; R176-F366 HydrophobicContact CB-CZ 4.12Å; R176-F366 HydrophobicContact CG-CZ 3.99Å
177	S	98.9	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.8	173.8	174.6	0	0	0	0	110.3	S153 I154 V175 I225	S153-S177 CarbonylContact C-O 3.49Å; S153-S177 VanDerWaalsContact CA-O 3.31Å; S153-S177 WeakPolarHBondContact CA-O 3.04Å; S153-S177 VanDerWaalsContact OG-CB 3.23Å; S153-S177 WeakPolarHBondContact OG-CB 3.41Å; S153-S177 PolarHBondContact OG-OG 3.37Å; S153-S177 VanDerWaalsContact OG-OG 3.07Å; I154-S177 PolarHBondContact N-O 2.88Å; V175-S177 WeakPolarHBondContact CG1-O 3.48Å; S177-I225 WeakPolarHBondContact CA-O 3.46Å
178	M	98.9	Very high	96.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	124.8	168.7	-178.6	177.7	74	0	0	111.2	I154 I160 L167 L180 W188 V215 M219 M224 I225 D227	I154-M178 HydrophobicContact CB-CB 4.18Å; I154-M178 HydrophobicContact CB-CG 3.88Å; I154-M178 HydrophobicContact CG2-CG 3.8Å; I154-M178 HydrophobicContact CG2-SD 4.24Å; I154-M178 CarbonylContact O-C 3.59Å; I154-M178 VanDerWaalsContact O-CA 3.25Å; I154-M178 WeakPolarHBondContact O-CA 3.36Å; I160-M178 HydrophobicContact CG2-SD 3.78Å; L167-M178 HydrophobicContact CD1-CE 3.8Å; L167-M178 HydrophobicContact CD1-SD 3.98Å; M178-L180 HydrophobicContact CE-CD2 4.42Å; M178-W188 HydrophobicContact CE-CH2 4.16Å; M178-V215 HydrophobicContact CE-CG1 4.1Å; M178-M219 HydrophobicContact CB-CE 3.83Å; M178-M219 HydrophobicContact CE-CE 4.27Å; M178-M219 HydrophobicContact CE-SD 3.78Å; M178-M224 HydrophobicContact CB-SD 3.93Å; M178-I225 PolarHBondContact N-O 3.04Å; M178-I225 VanDerWaalsContact N-O 3.14Å; M178-D227 PolarHBondContact O-N 3.04Å; M178-D227 VanDerWaalsContact O-N 3.07Å
179	S	98.6	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.4	167.3	-36	0	0	0	0	109.1	I154 G156 G157 T181 D227	I154-S179 PolarHBondContact O-N 3.32Å; I154-S179 PolarHBondContact O-OG 2.9Å; G156-S179 CarbonylContact C-O 3.45Å; G156-S179 VanDerWaalsContact C-O 3.28Å; G156-S179 WeakPolarHBondContact CA-O 3.45Å; G156-S179 PolarHBondContact N-O 3.44Å; G156-S179 VanDerWaalsContact N-O 3.12Å; G157-S179 PolarHBondContact N-O 2.99Å; S179-T181 VanDerWaalsContact C-N 3.27Å; S179-T181 PolarHBondContact O-N 3.08Å; S179-D227 WeakPolarHBondContact CA-O 3.4Å; S179-D227 WeakPolarHBondContact CB-OD2 3.39Å; S179-D227 PolarHBondContact OG-OD2 3.16Å
180	L	98.1	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-67	-29.4	-171	-65.5	-174.3	0	0	0	113.5	G157 M178 Y189 M219 V226 D227 L228 T231 V239	G157-L180 WeakPolarHBondContact CA-O 3.42Å; G157-L180 PolarHBondContact N-O 3.07Å; M178-L180 HydrophobicContact CE-CD2 4.42Å; L180-Y189 HydrophobicContact CB-CD2 3.64Å; L180-Y189 HydrophobicContact CB-CE2 3.77Å; L180-Y189 HydrophobicContact CD1-CD2 4.11Å; L180-Y189 HydrophobicContact CD1-CE2 3.54Å; L180-Y189 HydrophobicContact CD2-CD2 4.44Å; L180-Y189 HydrophobicContact CD2-CE2 3.76Å; L180-Y189 HydrophobicContact CG-CD2 4.26Å; L180-Y189 HydrophobicContact CG-CE2 3.86Å; L180-M219 HydrophobicContact CD2-CE 4.41Å; L180-M219 HydrophobicContact CD2-SD 3.91Å; L180-V226 HydrophobicContact CD1-CG1 3.78Å; L180-V226 HydrophobicContact CD2-CG1 3.91Å; L180-V226 HydrophobicContact CG-CG1 3.95Å; L180-D227 PolarHBondContact N-O 2.82Å; L180-L228 HydrophobicContact CD1-CD2 3.73Å; L180-T231 HydrophobicContact CB-CG2 3.82Å; L180-T231 HydrophobicContact CD1-CG2 4.5Å; L180-V239 HydrophobicContact CD1-CB 4.35Å; L180-V239 HydrophobicContact CD1-CG1 4.12Å; L180-V239 HydrophobicContact CD1-CG2 3.61Å
181	T	97.1	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.			trans	-138.5	170.5	173	56	0	0	0	0	109.2	S179 T186 H230 T231	S179-T181 VanDerWaalsContact C-N 3.27Å; S179-T181 PolarHBondContact O-N 3.08Å; T181-T186 HydrophobicContact CG2-CG2 4.39Å; T181-H230 WeakPolarHBondContact O-CB 3.46Å; T181-H230 VanDerWaalsContact OG1-C 3.25Å; T181-H230 PolarHBondContact OG1-O 2.91Å; T181-T231 WeakPolarHBondContact OG1-CA 3.17Å; T181-T231 PolarHBondContact OG1-N 2.89Å
182	H	95.8	Very high	93	Very high	24 Å²	24	26.9 Å²	26.9	11%	0.111	14%	0.144	C	C	.	.	S	Bend	trans	-118.2	-149.4	158.2	179.1	-105.5	0	0	0	106.2	Y99 C102 E155 C184 K191 H230	Y99-H182 HydrophobicContact CE2-CB 4.35Å; Y99-H182 AromaticContact CE2-CD2 3.76Å; Y99-H182 AromaticContact CE2-CE1 3.51Å; Y99-H182 AromaticContact CE2-CG 3.55Å; Y99-H182 AromaticContact CE2-ND1 3.37Å; Y99-H182 WeakPolarHBondContact CE2-ND1 3.41Å; Y99-H182 AromaticContact CE2-NE2 3.77Å; Y99-H182 AromaticContact CZ-CE1 3.46Å; Y99-H182 VanDerWaalsContact CZ-CE1 3.46Å; Y99-H182 AromaticContact CZ-ND1 3.71Å; Y99-H182 AromaticContact CZ-NE2 3.9Å; Y99-H182 PolarHBondContact OH-CE1 3.42Å; Y99-H182 PolarHBondContact OH-ND1 2.98Å; C102-H182 PolarHBondContact SG-ND1 2.88Å; C102-H182 VanDerWaalsContact SG-ND1 3.41Å; E155-H182 IonicContact OE1-CD2 3.85Å; E155-H182 PolarHBondContact OE1-CD2 3.2Å; H182-C184 PolarHBondContact O-N 3.12Å; H182-K191 WeakPolarHBondContact O-CB 3.39Å; H182-H230 AromaticContact CD2-CD2 3.89Å; H182-H230 AromaticContact CD2-CE1 3.49Å; H182-H230 PolarHBondContact CD2-CE1 3.28Å; H182-H230 VanDerWaalsContact CD2-CE1 3.49Å; H182-H230 AromaticContact CD2-CG 4Å; H182-H230 AromaticContact CD2-ND1 3.77Å; H182-H230 AromaticContact CD2-NE2 3.67Å; H182-H230 AromaticContact NE2-CE1 3.51Å; H182-H230 AromaticContact NE2-NE2 3.94Å
183	S	90.7	Very high	92	Very high	55 Å²	55	24.4 Å²	24.4	39%	0.385	13%	0.132	S	C	.	.	S	Bend	trans	-69.3	26.6	169.6	-60.8	0	0	0	0	115	K191 E192	S183-K191 WeakPolarHBondContact O-CD 3.33Å; S183-K191 VanDerWaalsContact O-CE 3.3Å; S183-K191 WeakPolarHBondContact O-CE 3.48Å; S183-E192 PolarHBondContact OG-OE1 3.09Å
184	C	91.1	Very high	90.1	Very high	19 Å²	19	25.7 Å²	25.7	13%	0.128	15%	0.151	C	C	.	.	S	Bend	trans	-136.3	145.1	170.2	41.4	0	0	0	0	110.7	C102 H182 K191	C102-C184 VanDerWaalsContact CA-SG 3.52Å; C102-C184 HydrophobicContact CB-CB 3.52Å; C102-C184 WeakPolarHBondContact CB-SG 3.43Å; C102-C184 WeakPolarHBondContact SG-CB 3.45Å; C102-C184 PolarHBondContact SG-N 2.96Å; C102-C184 CovalentContact SG-SG 2.03Å; C102-C184 PolarHBondContact SG-SG 3.45Å; H182-C184 PolarHBondContact O-N 3.12Å; C184-K191 VanDerWaalsContact N-CD 3.34Å
185	N	91.2	Very high	87.8	Confident	76 Å²	76	29.1 Å²	29.1	41%	0.406	17%	0.171	S	C	.	.			trans	-70.4	145.6	169.8	-66.3	-21.7	0	0	0	109.8	Q105 S190 K191 H193	Q105-N185 PolarHBondContact NE2-O 3.45Å; Q105-N185 PolarHBondContact OE1-O 2.96Å; N185-S190 WeakPolarHBondContact OD1-CA 3.41Å; N185-K191 WeakPolarHBondContact OD1-CG 3.42Å; N185-K191 PolarHBondContact OD1-N 3.18Å; N185-H193 PolarHBondContact OD1-NE2 3.38Å
186	T	91.4	Very high	85.1	Confident	9 Å²	9	32.6 Å²	32.6	6%	0.055	20%	0.195	C	C	.	.			trans	-91.3	167.9	159.6	67.8	0	0	0	0	109	T181 W188 Y189	T181-T186 HydrophobicContact CG2-CG2 4.39Å; T186-W188 HydrophobicContact CG2-CZ2 4.14Å; T186-W188 PolarHBondContact O-N 3.04Å; T186-W188 PolarHBondContact OG1-N 3.43Å; T186-Y189 PolarHBondContact N-O 3.5Å; T186-Y189 VanDerWaalsContact O-O 3.05Å; T186-Y189 PolarHBondContact OG1-N 2.88Å
187	P	90.9	Very high	82.2	Confident	38 Å²	38	41.5 Å²	41.5	25%	0.247	24%	0.235	C	C	.	.	S	Bend	trans	-59.2	-16.5	172.8	-27	37.1	0	0	0	114.1	I386 V391	P187-I386 HydrophobicContact CB-CD1 3.8Å; P187-V391 HydrophobicContact CB-CG1 4.27Å; P187-V391 HydrophobicContact CG-CG1 4.05Å
188	W	89	Confident	79.1	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.019	27%	0.267	C	S	.	.	S	Bend	trans	-116.7	-11.4	-172.2	38.8	-78.3	0	0	0	114.1	I160 S162 M178 T186 T209 F211 V215	I160-W188 HydrophobicContact CD1-CH2 4.09Å; I160-W188 HydrophobicContact CD1-CZ2 3.77Å; I160-W188 HydrophobicContact CG1-CH2 4.49Å; I160-W188 HydrophobicContact CG1-CZ2 3.92Å; S162-W188 PolarHBondContact OG-NE1 3.19Å; S162-W188 VanDerWaalsContact OG-NE1 3.12Å; M178-W188 HydrophobicContact CE-CH2 4.16Å; T186-W188 HydrophobicContact CG2-CZ2 4.14Å; T186-W188 PolarHBondContact O-N 3.04Å; T186-W188 PolarHBondContact OG1-N 3.43Å; W188-T209 VanDerWaalsContact CB-OG1 3.31Å; W188-T209 WeakPolarHBondContact CB-OG1 3.25Å; W188-T209 PolarHBondContact O-OG1 3.38Å; W188-F211 HydrophobicContact CB-CD1 4Å; W188-F211 AromaticContact CD1-CD1 3.7Å; W188-F211 AromaticContact CD1-CE1 3.82Å; W188-F211 HydrophobicContact CD2-CD1 4.2Å; W188-F211 HydrophobicContact CD2-CE1 4.26Å; W188-F211 AromaticContact CG-CD1 3.72Å; W188-F211 HydrophobicContact CG-CD1 3.72Å; W188-F211 HydrophobicContact CG-CE1 4.11Å; W188-F211 AromaticContact NE1-CE1 3.9Å; W188-V215 HydrophobicContact CD2-CG2 4.3Å; W188-V215 HydrophobicContact CE3-CB 4.1Å; W188-V215 HydrophobicContact CE3-CG1 4.35Å; W188-V215 HydrophobicContact CE3-CG2 3.85Å; W188-V215 HydrophobicContact CH2-CB 4.36Å; W188-V215 HydrophobicContact CH2-CG1 3.78Å; W188-V215 HydrophobicContact CH2-CG2 4.15Å; W188-V215 HydrophobicContact CZ3-CB 3.69Å; W188-V215 HydrophobicContact CZ3-CG1 3.45Å; W188-V215 VanDerWaalsContact CZ3-CG1 3.45Å; W188-V215 HydrophobicContact CZ3-CG2 3.71Å
189	Y	85.9	Confident	76.2	Confident	11 Å²	11	57.6 Å²	57.6	4%	0.043	31%	0.309	C	S	.	.			trans	-145.6	154.8	178	-64.5	-35.6	0	0	0	114.8	L180 T186 L208 G212 V216 T235	L180-Y189 HydrophobicContact CB-CD2 3.64Å; L180-Y189 HydrophobicContact CB-CE2 3.77Å; L180-Y189 HydrophobicContact CD1-CD2 4.11Å; L180-Y189 HydrophobicContact CD1-CE2 3.54Å; L180-Y189 HydrophobicContact CD2-CD2 4.44Å; L180-Y189 HydrophobicContact CD2-CE2 3.76Å; L180-Y189 HydrophobicContact CG-CD2 4.26Å; L180-Y189 HydrophobicContact CG-CE2 3.86Å; T186-Y189 PolarHBondContact N-O 3.5Å; T186-Y189 VanDerWaalsContact O-O 3.05Å; T186-Y189 PolarHBondContact OG1-N 2.88Å; Y189-L208 HydrophobicContact CD1-CD2 3.74Å; Y189-L208 HydrophobicContact CE1-CD2 3.23Å; Y189-L208 HydrophobicContact CE1-CG 4.34Å; Y189-G212 VanDerWaalsContact OH-C 3.31Å; Y189-G212 PolarHBondContact OH-O 2.91Å; Y189-V216 WeakPolarHBondContact OH-CG2 3.34Å; Y189-T235 HydrophobicContact CD1-CG2 3.97Å; Y189-T235 HydrophobicContact CG-CG2 3.94Å
190	S	78.4	Confident	73.3	Confident	32 Å²	32	62.7 Å²	62.7	22%	0.224	34%	0.336	C	S	.	.			trans	-99.8	138.4	175.6	51.6	0	0	0	0	113.2	N185 S232 T235	N185-S190 WeakPolarHBondContact OD1-CA 3.41Å; S190-S232 PolarHBondContact O-N 2.88Å; S190-S232 WeakPolarHBondContact OG-CB 3.46Å; S190-S232 PolarHBondContact OG-OG 3.16Å; S190-T235 PolarHBondContact N-OG1 3.48Å; S190-T235 PolarHBondContact O-OG1 3.41Å; S190-T235 PolarHBondContact OG-OG1 3.28Å
191	K	83.7	Confident	70.3	Confident	45 Å²	45	67.2 Å²	67.2	20%	0.196	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-76.5	176	173.6	70.9	170.6	-169.4	71.7	0	113.6	H182 S183 C184 N185 H193 H230 S232	H182-K191 WeakPolarHBondContact O-CB 3.39Å; S183-K191 WeakPolarHBondContact O-CD 3.33Å; S183-K191 VanDerWaalsContact O-CE 3.3Å; S183-K191 WeakPolarHBondContact O-CE 3.48Å; C184-K191 VanDerWaalsContact N-CD 3.34Å; N185-K191 WeakPolarHBondContact OD1-CG 3.42Å; N185-K191 PolarHBondContact OD1-N 3.18Å; K191-H193 VanDerWaalsContact CE-CE1 3.44Å; K191-H193 WeakPolarHBondContact CE-CE1 3.33Å; K191-H193 WeakPolarHBondContact CG-CE1 3.31Å; K191-H193 WeakPolarHBondContact CG-NE2 3.42Å; K191-H193 PolarHBondContact NZ-CE1 3.11Å; K191-H193 PolarHBondContact NZ-ND1 2.86Å; K191-H193 PolarHBondContact O-CD2 3.34Å; K191-H193 PolarHBondContact O-NE2 2.96Å; K191-H230 CarbonylContact C-O 3.53Å; K191-H230 VanDerWaalsContact CA-O 3.22Å; K191-H230 WeakPolarHBondContact CA-O 3.45Å; K191-S232 VanDerWaalsContact C-N 3.25Å; K191-S232 WeakPolarHBondContact O-CA 3.09Å; K191-S232 WeakPolarHBondContact O-CB 3.32Å; K191-S232 PolarHBondContact O-N 3.43Å
192	E	80.3	Confident	67.6	Low	21 Å²	21	73.9 Å²	73.9	10%	0.098	39%	0.393	C	S	.	.			trans	-59.2	138	168.8	81.6	-76.1	168.5	0	0	111.8	S183 H230 R262	S183-E192 PolarHBondContact OG-OE1 3.09Å; E192-H230 PolarHBondContact N-O 3.16Å; E192-H230 IonicContact OE1-ND1 3.45Å; E192-H230 VanDerWaalsContact OE2-C 3.31Å; E192-H230 WeakPolarHBondContact OE2-CA 2.87Å; E192-H230 WeakPolarHBondContact OE2-CB 3.47Å; E192-H230 IonicContact OE2-CG 3.35Å; E192-H230 IonicContact OE2-ND1 2.82Å; E192-H230 PolarHBondContact OE2-ND1 3.18Å; E192-R262 VanDerWaalsContact CG-CD 3.42Å; E192-R262 HydrophobicContact CG-CG 4.04Å
193	H	76.4	Confident	64.8	Low	92 Å²	92	78 Å²	78	43%	0.426	42%	0.42	S	S	.	.			trans	-134.7	151.5	173.5	-61.2	-76	0	0	0	110	N185 K191 V195 P261	N185-H193 PolarHBondContact OD1-NE2 3.38Å; K191-H193 VanDerWaalsContact CE-CE1 3.44Å; K191-H193 WeakPolarHBondContact CE-CE1 3.33Å; K191-H193 WeakPolarHBondContact CG-CE1 3.31Å; K191-H193 WeakPolarHBondContact CG-NE2 3.42Å; K191-H193 PolarHBondContact NZ-CE1 3.11Å; K191-H193 PolarHBondContact NZ-ND1 2.86Å; K191-H193 PolarHBondContact O-CD2 3.34Å; K191-H193 PolarHBondContact O-NE2 2.96Å; H193-V195 PolarHBondContact O-N 2.61Å; H193-V195 VanDerWaalsContact O-N 3.14Å; H193-P261 WeakPolarHBondContact O-CB 3.43Å
194	A	58.8	Low	62.5	Low	87 Å²	87	80.3 Å²	80.3	72%	0.719	44%	0.436	S	S	*	.			trans	-56.1	122.4	174.8	0	0	0	0	0	109.5	S196 P261	A194-S196 VanDerWaalsContact C-N 3.3Å; A194-S196 PolarHBondContact O-N 3.36Å; A194-P261 HydrophobicContact CB-CG 4.49Å
195	V	51.8	Low	60.1	Low	76 Å²	76	86.5 Å²	86.5	46%	0.461	47%	0.468	S	S	.	.			trans	-63.9	92.9	177.9	-173.2	0	0	0	0	107.6	H193 K197 F233	H193-V195 PolarHBondContact O-N 2.61Å; H193-V195 VanDerWaalsContact O-N 3.14Å; V195-K197 PolarHBondContact O-N 3.01Å; V195-F233 HydrophobicContact CG2-CE2 3.67Å; V195-F233 HydrophobicContact CG2-CZ 4.3Å
196	S	40.6	Very low	58.1	Low	72 Å²	72	88.6 Å²	88.6	50%	0.503	48%	0.48	S	S	.	.			trans	-61.1	137.1	163.3	85.8	0	0	0	0	106.6	A194 H198	A194-S196 VanDerWaalsContact C-N 3.3Å; A194-S196 PolarHBondContact O-N 3.36Å; S196-H198 CarbonylContact O-C 3.56Å; S196-H198 PolarHBondContact O-N 2.76Å
197	K	38.1	Very low	56.8	Low	209 Å²	209	91.1 Å²	91.1	91%	0.909	50%	0.498	S	S	*	.	S	Bend	trans	-58.2	9	-176.8	-79.9	-176.1	175.4	179.2	0	115.8	V195	V195-K197 PolarHBondContact O-N 3.01Å
198	H	35.1	Very low	56.2	Low	148 Å²	148	89.7 Å²	89.7	69%	0.685	49%	0.488	S	S	*	.	S	Bend	trans	-99.8	106.7	170	-69.1	60.8	0	0	0	106.3	S196 I200	S196-H198 CarbonylContact O-C 3.56Å; S196-H198 PolarHBondContact O-N 2.76Å; H198-I200 PolarHBondContact O-N 3.15Å
199	H	38.2	Very low	56.2	Low	191 Å²	191	91.8 Å²	91.8	88%	0.884	50%	0.501	S	S	*	.			trans	-52.3	90.2	156.2	-73.8	-78.5	0	0	0	106.9	S201	H199-S201 PolarHBondContact O-N 2.96Å
200	I	36.2	Very low	56.5	Low	107 Å²	107	96.1 Å²	96.1	55%	0.549	53%	0.529	S	S	.	.			trans	-66.2	98.4	161.1	-63.9	177.2	0	0	0	102.5	H198 Y202	H198-I200 PolarHBondContact O-N 3.15Å; I200-Y202 HydrophobicContact CB-CD2 4.38Å; I200-Y202 HydrophobicContact CB-CE2 4.27Å; I200-Y202 HydrophobicContact CG2-CD2 3.93Å; I200-Y202 HydrophobicContact CG2-CE2 3.89Å; I200-Y202 HydrophobicContact CG2-CG 4.46Å; I200-Y202 WeakPolarHBondContact O-CD2 3.48Å; I200-Y202 PolarHBondContact O-N 3.29Å
201	S	36.3	Very low	57.4	Low	95 Å²	95	94.8 Å²	94.8	66%	0.664	52%	0.519	S	S	*	.			trans	-54.7	90	160.8	178.5	0	0	0	0	106.2	H199 T203	H199-S201 PolarHBondContact O-N 2.96Å; S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 3.38Å
202	Y	40.1	Very low	57.9	Low	139 Å²	139	92.7 Å²	92.7	55%	0.545	51%	0.51	S	S	.	.			trans	-65.4	104.5	156.9	-77.4	-87.6	0	0	0	104.4	I200 S204 E234	I200-Y202 HydrophobicContact CB-CD2 4.38Å; I200-Y202 HydrophobicContact CB-CE2 4.27Å; I200-Y202 HydrophobicContact CG2-CD2 3.93Å; I200-Y202 HydrophobicContact CG2-CE2 3.89Å; I200-Y202 HydrophobicContact CG2-CG 4.46Å; I200-Y202 WeakPolarHBondContact O-CD2 3.48Å; I200-Y202 PolarHBondContact O-N 3.29Å; Y202-S204 PolarHBondContact O-N 3.24Å; Y202-E234 HydrophobicContact CD2-CB 4.44Å; Y202-E234 HydrophobicContact CD2-CG 3.45Å; Y202-E234 VanDerWaalsContact CD2-CG 3.45Å; Y202-E234 HydrophobicContact CE2-CG 3.88Å; Y202-E234 HydrophobicContact CG-CG 4Å
203	T	37.7	Very low	58.7	Low	111 Å²	111	95 Å²	95	68%	0.681	52%	0.52	S	S	*	.			trans	-57.8	90.4	175.2	49.4	0	0	0	0	109.3	S201 N205	S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 3.38Å; T203-N205 PolarHBondContact O-N 3.01Å
204	S	41.4	Very low	59.8	Low	103 Å²	103	91.1 Å²	91.1	72%	0.72	50%	0.504	S	S	*	.	S	Bend		41.8	10	128.7	60.1	0	0	0	0	122	Y202	Y202-S204 PolarHBondContact O-N 3.24Å
205	N	40.3	Very low	61.7	Low	149 Å²	149	87 Å²	87	80%	0.797	47%	0.469	S	S	*	.	S	Bend	trans	-147.2	-7	178.4	-91	-30.4	0	0	0	119.8	T203	T203-N205 PolarHBondContact O-N 3.01Å
206	N	50.5	Low	63.9	Low	121 Å²	121	83.4 Å²	83.4	65%	0.647	45%	0.447	S	S	*	.			trans	-164.5	55.5	177.7	-117.1	-0.4	0	0	0	115.4	L208 K213	N206-L208 VanDerWaalsContact C-N 3.28Å; N206-L208 PolarHBondContact O-N 3.04Å; N206-K213 PolarHBondContact OD1-NZ 3.45Å
207	S	63.4	Low	66.7	Low	62 Å²	62	81.5 Å²	81.5	43%	0.434	43%	0.432	S	S	.	.	S	Bend	trans	-71.7	-17.3	177	29.5	0	0	0	0	114.4	A238	S207-A238 WeakPolarHBondContact OG-CB 3.32Å
208	L	77.8	Confident	69.6	Low	7 Å²	7	71.7 Å²	71.7	4%	0.037	39%	0.389	C	S	.	.	S	Bend	trans	-100.9	128.5	171	-54.5	175.6	0	0	0	110.3	Y189 N206 K213 A238 V239 H242	Y189-L208 HydrophobicContact CD1-CD2 3.74Å; Y189-L208 HydrophobicContact CE1-CD2 3.23Å; Y189-L208 HydrophobicContact CE1-CG 4.34Å; N206-L208 VanDerWaalsContact C-N 3.28Å; N206-L208 PolarHBondContact O-N 3.04Å; L208-K213 HydrophobicContact CB-CG 3.68Å; L208-K213 HydrophobicContact CD1-CG 4.11Å; L208-K213 WeakPolarHBondContact O-CE 3.18Å; L208-A238 HydrophobicContact CD1-CB 4.22Å; L208-A238 HydrophobicContact CD2-CB 3.83Å; L208-A238 HydrophobicContact CG-CB 3.69Å; L208-V239 HydrophobicContact CD1-CG2 4.17Å; L208-V239 HydrophobicContact CD2-CG2 3.68Å; L208-H242 HydrophobicContact CD1-CB 3.8Å
209	T	89.8	Confident	72.6	Confident	50 Å²	50	64.6 Å²	64.6	31%	0.307	36%	0.356	S	S	.	.			trans	-60.2	160.5	167.5	61.5	0	0	0	0	110.9	W188 F211 G212 K213	W188-T209 VanDerWaalsContact CB-OG1 3.31Å; W188-T209 WeakPolarHBondContact CB-OG1 3.25Å; W188-T209 PolarHBondContact O-OG1 3.38Å; T209-F211 VanDerWaalsContact C-N 3.29Å; T209-F211 PolarHBondContact O-N 2.73Å; T209-G212 PolarHBondContact O-N 3.42Å; T209-G212 VanDerWaalsContact O-N 3.12Å; T209-G212 PolarHBondContact OG1-N 2.86Å; T209-K213 PolarHBondContact O-N 3.04Å
210	T	92.8	Very high	75.5	Confident	101 Å²	101	55.6 Å²	55.6	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-55	-47	175.2	-56.1	0	0	0	0	111.2	G212 K213 A214 E384	T210-G212 PolarHBondContact O-N 2.91Å; T210-K213 PolarHBondContact O-N 2.9Å; T210-A214 PolarHBondContact O-N 2.85Å; T210-E384 WeakPolarHBondContact CG2-OE1 3.44Å
211	F	95.6	Very high	78.5	Confident	5 Å²	5	52.4 Å²	52.4	2%	0.022	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-41.7	176.2	-174.9	-99.1	0	0	0	112.1	S162 L164 W188 T209 K213 A214 V215 E384 I386	S162-F211 WeakPolarHBondContact O-CZ 3.07Å; L164-F211 HydrophobicContact CD2-CE2 4.48Å; L164-F211 HydrophobicContact CD2-CZ 4.33Å; L164-F211 HydrophobicContact CG-CE2 4.06Å; L164-F211 HydrophobicContact CG-CZ 4.26Å; W188-F211 HydrophobicContact CB-CD1 4Å; W188-F211 AromaticContact CD1-CD1 3.7Å; W188-F211 AromaticContact CD1-CE1 3.82Å; W188-F211 HydrophobicContact CD2-CD1 4.2Å; W188-F211 HydrophobicContact CD2-CE1 4.26Å; W188-F211 AromaticContact CG-CD1 3.72Å; W188-F211 HydrophobicContact CG-CD1 3.72Å; W188-F211 HydrophobicContact CG-CE1 4.11Å; W188-F211 AromaticContact NE1-CE1 3.9Å; T209-F211 VanDerWaalsContact C-N 3.29Å; T209-F211 PolarHBondContact O-N 2.73Å; F211-K213 PolarHBondContact O-N 3.02Å; F211-A214 CarbonylContact O-C 3.46Å; F211-A214 WeakPolarHBondContact O-CA 3.22Å; F211-A214 WeakPolarHBondContact O-CB 3.44Å; F211-A214 PolarHBondContact O-N 3.5Å; F211-A214 VanDerWaalsContact O-N 3.07Å; F211-V215 HydrophobicContact CD1-CG2 4.03Å; F211-V215 HydrophobicContact CE1-CG2 3.58Å; F211-V215 HydrophobicContact CZ-CG2 4Å; F211-V215 WeakPolarHBondContact O-CG2 3.31Å; F211-V215 PolarHBondContact O-N 2.77Å; F211-E384 HydrophobicContact CD2-CG 4.27Å; F211-I386 HydrophobicContact CB-CB 4.19Å; F211-I386 HydrophobicContact CB-CD1 4.4Å; F211-I386 HydrophobicContact CB-CG1 4.18Å; F211-I386 HydrophobicContact CD1-CB 4.04Å; F211-I386 HydrophobicContact CD1-CD1 3.89Å; F211-I386 HydrophobicContact CD1-CG1 4.3Å; F211-I386 HydrophobicContact CD2-CB 3.67Å; F211-I386 VanDerWaalsContact CD2-N 3.33Å; F211-I386 HydrophobicContact CE1-CB 4.38Å; F211-I386 HydrophobicContact CE1-CD1 4.47Å; F211-I386 HydrophobicContact CE2-CB 4.04Å; F211-I386 HydrophobicContact CG-CB 3.67Å; F211-I386 HydrophobicContact CG-CD1 4.16Å; F211-I386 HydrophobicContact CG-CG1 4.07Å; F211-I386 HydrophobicContact CZ-CB 4.38Å
212	G	96	Very high	81.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-43.4	174.8	0	0	0	0	0	112.7	Y189 T209 T210 A214 V215 V216	Y189-G212 VanDerWaalsContact OH-C 3.31Å; Y189-G212 PolarHBondContact OH-O 2.91Å; T209-G212 PolarHBondContact O-N 3.42Å; T209-G212 VanDerWaalsContact O-N 3.12Å; T209-G212 PolarHBondContact OG1-N 2.86Å; T210-G212 PolarHBondContact O-N 2.91Å; G212-A214 VanDerWaalsContact C-N 3.29Å; G212-A214 PolarHBondContact O-N 3.3Å; G212-V215 PolarHBondContact O-N 2.97Å; G212-V216 PolarHBondContact O-N 3.07Å
213	K	96.8	Very high	84.3	Confident	71 Å²	71	42 Å²	42	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-41.5	173.2	-67.6	178.7	-172.9	176.8	0	111.4	N206 L208 T209 T210 F211 V215 V216 D217 H242	N206-K213 PolarHBondContact OD1-NZ 3.45Å; L208-K213 HydrophobicContact CB-CG 3.68Å; L208-K213 HydrophobicContact CD1-CG 4.11Å; L208-K213 WeakPolarHBondContact O-CE 3.18Å; T209-K213 PolarHBondContact O-N 3.04Å; T210-K213 PolarHBondContact O-N 2.9Å; F211-K213 PolarHBondContact O-N 3.02Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 3.45Å; K213-V216 PolarHBondContact O-N 2.79Å; K213-D217 WeakPolarHBondContact O-CB 3.15Å; K213-D217 PolarHBondContact O-N 3.23Å; K213-H242 PolarHBondContact O-NE2 2.78Å
214	A	98.2	Very high	87.2	Confident	10 Å²	10	36.8 Å²	36.8	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-33.2	177.1	0	0	0	0	0	113.1	L164 T210 F211 G212 E218 E384	L164-A214 HydrophobicContact CD1-CB 4.26Å; T210-A214 PolarHBondContact O-N 2.85Å; F211-A214 CarbonylContact O-C 3.46Å; F211-A214 WeakPolarHBondContact O-CA 3.22Å; F211-A214 WeakPolarHBondContact O-CB 3.44Å; F211-A214 PolarHBondContact O-N 3.5Å; F211-A214 VanDerWaalsContact O-N 3.07Å; G212-A214 VanDerWaalsContact C-N 3.29Å; G212-A214 PolarHBondContact O-N 3.3Å; A214-E218 VanDerWaalsContact O-CB 3.3Å; A214-E218 WeakPolarHBondContact O-CB 3.48Å; A214-E218 PolarHBondContact O-N 2.89Å; A214-E384 HydrophobicContact CB-CB 3.71Å; A214-E384 HydrophobicContact CB-CG 3.81Å
215	V	98.6	Very high	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-51.9	174.1	175.2	0	0	0	0	111.1	I160 L164 L167 M178 W188 F211 G212 K213 D217 E218 M219	I160-V215 HydrophobicContact CD1-CG2 4.22Å; L164-V215 HydrophobicContact CD2-CB 4.35Å; L164-V215 HydrophobicContact CD2-CG2 3.76Å; L167-V215 HydrophobicContact CD2-CG1 4.3Å; M178-V215 HydrophobicContact CE-CG1 4.1Å; W188-V215 HydrophobicContact CD2-CG2 4.3Å; W188-V215 HydrophobicContact CE3-CB 4.1Å; W188-V215 HydrophobicContact CE3-CG1 4.35Å; W188-V215 HydrophobicContact CE3-CG2 3.85Å; W188-V215 HydrophobicContact CH2-CB 4.36Å; W188-V215 HydrophobicContact CH2-CG1 3.78Å; W188-V215 HydrophobicContact CH2-CG2 4.15Å; W188-V215 HydrophobicContact CZ3-CB 3.69Å; W188-V215 HydrophobicContact CZ3-CG1 3.45Å; W188-V215 VanDerWaalsContact CZ3-CG1 3.45Å; W188-V215 HydrophobicContact CZ3-CG2 3.71Å; F211-V215 HydrophobicContact CD1-CG2 4.03Å; F211-V215 HydrophobicContact CE1-CG2 3.58Å; F211-V215 HydrophobicContact CZ-CG2 4Å; F211-V215 WeakPolarHBondContact O-CG2 3.31Å; F211-V215 PolarHBondContact O-N 2.77Å; G212-V215 PolarHBondContact O-N 2.97Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 3.45Å; V215-D217 VanDerWaalsContact C-N 3.32Å; V215-D217 PolarHBondContact O-N 3.14Å; V215-E218 PolarHBondContact O-N 3.36Å; V215-M219 HydrophobicContact CG1-CG 4.39Å; V215-M219 HydrophobicContact CG1-SD 3.95Å; V215-M219 VanDerWaalsContact O-CG 3.29Å; V215-M219 WeakPolarHBondContact O-CG 3.29Å; V215-M219 PolarHBondContact O-N 2.82Å
216	V	98.6	Very high	92.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-41	178.5	170.2	0	0	0	0	111.2	Y189 G212 K213 E218 M219 N220 V226 V239	Y189-V216 WeakPolarHBondContact OH-CG2 3.34Å; G212-V216 PolarHBondContact O-N 3.07Å; K213-V216 PolarHBondContact O-N 2.79Å; V216-E218 VanDerWaalsContact C-N 3.31Å; V216-E218 PolarHBondContact O-N 3.06Å; V216-M219 PolarHBondContact O-N 3.09Å; V216-N220 VanDerWaalsContact O-CG 3.29Å; V216-N220 PolarHBondContact O-N 3.26Å; V216-V226 HydrophobicContact CG1-CG2 4.37Å; V216-V239 HydrophobicContact CG1-CG1 4.45Å; V216-V239 HydrophobicContact CG2-CG1 3.94Å; V216-V239 HydrophobicContact CG2-CG2 4.18Å
217	D	98.7	Very high	95	Very high	33 Å²	33	19.2 Å²	19.2	18%	0.176	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-43.3	174.7	-97.6	33.9	0	0	0	112.4	K213 V215 R221 H242 K379	K213-D217 WeakPolarHBondContact O-CB 3.15Å; K213-D217 PolarHBondContact O-N 3.23Å; V215-D217 VanDerWaalsContact C-N 3.32Å; V215-D217 PolarHBondContact O-N 3.14Å; D217-R221 WeakPolarHBondContact O-CB 3.14Å; D217-R221 PolarHBondContact O-N 3.31Å; D217-H242 IonicContact OD1-CD2 3.87Å; D217-H242 IonicContact OD1-CE1 3.67Å; D217-H242 IonicContact OD1-NE2 3.69Å; D217-H242 PolarHBondContact OD1-NE2 3.05Å; D217-K379 IonicContact OD2-NZ 3.69Å; D217-K379 PolarHBondContact OD2-NZ 3.16Å
218	E	98.9	Very high	96.7	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-71.2	-37.5	178.9	-173.9	66.6	178.2	0	0	111.3	L164 L167 R168 A214 V215 V216 R221 L222 S382	L164-E218 HydrophobicContact CD2-CB 4.15Å; L164-E218 HydrophobicContact CD2-CG 4.43Å; L167-E218 HydrophobicContact CD2-CB 4.13Å; L167-E218 HydrophobicContact CD2-CG 3.96Å; R168-E218 WeakPolarHBondContact CD-OE1 3.49Å; R168-E218 HydrophobicContact CG-CG 4.46Å; R168-E218 WeakPolarHBondContact CG-OE1 3.45Å; R168-E218 IonicContact CZ-OE1 2.84Å; R168-E218 IonicContact NE-OE1 2.68Å; R168-E218 IonicContact NH1-OE1 2.78Å; R168-E218 PolarHBondContact NH1-OE1 2.89Å; A214-E218 VanDerWaalsContact O-CB 3.3Å; A214-E218 WeakPolarHBondContact O-CB 3.48Å; A214-E218 PolarHBondContact O-N 2.89Å; V215-E218 PolarHBondContact O-N 3.36Å; V216-E218 VanDerWaalsContact C-N 3.31Å; V216-E218 PolarHBondContact O-N 3.06Å; E218-R221 PolarHBondContact O-N 2.94Å; E218-R221 IonicContact OE1-CZ 3.4Å; E218-R221 IonicContact OE1-NE 3.51Å; E218-R221 PolarHBondContact OE1-NE 3.24Å; E218-R221 IonicContact OE1-NH2 3.67Å; E218-R221 PolarHBondContact OE1-NH2 3.46Å; E218-R221 IonicContact OE2-CZ 2.78Å; E218-R221 IonicContact OE2-NE 2.77Å; E218-R221 PolarHBondContact OE2-NE 2.88Å; E218-R221 IonicContact OE2-NH2 3.22Å; E218-L222 HydrophobicContact CG-CD1 4.12Å; E218-L222 HydrophobicContact CG-CG 4.49Å; E218-L222 WeakPolarHBondContact O-CB 3.21Å; E218-L222 VanDerWaalsContact O-CG 3.22Å; E218-L222 WeakPolarHBondContact O-CG 3.22Å; E218-L222 PolarHBondContact O-N 2.97Å; E218-S382 PolarHBondContact OE2-N 2.79Å; E218-S382 VanDerWaalsContact OE2-N 3.09Å
219	M	98.9	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-46.7	172.4	-68.3	175.6	74.3	0	0	111.5	L167 M178 L180 V215 V216 R221 L222 G223 M224 I225 V226	L167-M219 HydrophobicContact CD1-CG 4.24Å; L167-M219 HydrophobicContact CD2-CG 3.89Å; M178-M219 HydrophobicContact CB-CE 3.83Å; M178-M219 HydrophobicContact CE-CE 4.27Å; M178-M219 HydrophobicContact CE-SD 3.78Å; L180-M219 HydrophobicContact CD2-CE 4.41Å; L180-M219 HydrophobicContact CD2-SD 3.91Å; V215-M219 HydrophobicContact CG1-CG 4.39Å; V215-M219 HydrophobicContact CG1-SD 3.95Å; V215-M219 VanDerWaalsContact O-CG 3.29Å; V215-M219 WeakPolarHBondContact O-CG 3.29Å; V215-M219 PolarHBondContact O-N 2.82Å; V216-M219 PolarHBondContact O-N 3.09Å; M219-R221 VanDerWaalsContact C-N 3.35Å; M219-R221 PolarHBondContact O-N 2.86Å; M219-L222 PolarHBondContact O-N 3.4Å; M219-G223 PolarHBondContact O-N 2.83Å; M219-M224 HydrophobicContact CB-CB 4.2Å; M219-M224 HydrophobicContact CE-CG 4.02Å; M219-M224 HydrophobicContact CE-SD 3.98Å; M219-M224 HydrophobicContact CG-CB 4.43Å; M219-M224 HydrophobicContact CG-SD 4.27Å; M219-M224 PolarHBondContact O-N 3.47Å; M219-I225 WeakPolarHBondContact CE-O 3.36Å; M219-V226 HydrophobicContact CB-CG2 3.95Å; M219-V226 HydrophobicContact CE-CB 4.13Å; M219-V226 HydrophobicContact CE-CG1 4.46Å; M219-V226 HydrophobicContact CE-CG2 3.77Å; M219-V226 HydrophobicContact SD-CG2 4Å
220	N	98.9	Very high	98.1	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.011	7%	0.074	C	C	.	.	H	α-helix	trans	-60.3	-43.2	174.4	-67.7	167.2	0	0	0	111.8	V216 L222 G223 S243 K244 V372 L376	V216-N220 VanDerWaalsContact O-CG 3.29Å; V216-N220 PolarHBondContact O-N 3.26Å; N220-L222 VanDerWaalsContact C-N 3.33Å; N220-L222 PolarHBondContact O-N 3.05Å; N220-G223 PolarHBondContact O-N 3.06Å; N220-S243 PolarHBondContact ND2-OG 2.87Å; N220-K244 PolarHBondContact OD1-N 3.45Å; N220-V372 HydrophobicContact CB-CG1 4.25Å; N220-L376 HydrophobicContact CB-CD1 4.23Å
221	R	98.9	Very high	98.2	Very high	39 Å²	39	9.8 Å²	9.8	15%	0.147	5%	0.047	C	C	.	.	H	α-helix	trans	-64.1	-37.3	177.5	-168	-163.9	69.3	73.7	2	112.2	D217 E218 M219 G223 R373 L376 K379 K380	D217-R221 WeakPolarHBondContact O-CB 3.14Å; D217-R221 PolarHBondContact O-N 3.31Å; E218-R221 PolarHBondContact O-N 2.94Å; E218-R221 IonicContact OE1-CZ 3.4Å; E218-R221 IonicContact OE1-NE 3.51Å; E218-R221 PolarHBondContact OE1-NE 3.24Å; E218-R221 IonicContact OE1-NH2 3.67Å; E218-R221 PolarHBondContact OE1-NH2 3.46Å; E218-R221 IonicContact OE2-CZ 2.78Å; E218-R221 IonicContact OE2-NE 2.77Å; E218-R221 PolarHBondContact OE2-NE 2.88Å; E218-R221 IonicContact OE2-NH2 3.22Å; M219-R221 VanDerWaalsContact C-N 3.35Å; M219-R221 PolarHBondContact O-N 2.86Å; R221-G223 VanDerWaalsContact C-N 3.34Å; R221-R373 WeakPolarHBondContact O-CG 3.34Å; R221-L376 HydrophobicContact CB-CD1 4.49Å; R221-L376 HydrophobicContact CG-CB 4.32Å; R221-K379 WeakPolarHBondContact CD-O 3.39Å; R221-K379 HydrophobicContact CG-CB 4.35Å; R221-K380 WeakPolarHBondContact CD-O 3.44Å
222	L	98.9	Very high	98.2	Very high	17 Å²	17	9.9 Å²	9.9	9%	0.089	5%	0.048	C	C	.	.	H	α-helix	trans	-74.1	-24.3	176.6	-72.9	169.7	0	0	0	112.6	L167 R168 Y171 E218 M219 N220 M224 R373	L167-L222 HydrophobicContact CD2-CD1 4.48Å; L167-L222 HydrophobicContact CG-CD1 4.26Å; R168-L222 HydrophobicContact CG-CD1 4.16Å; R168-L222 HydrophobicContact CG-CD2 4.3Å; Y171-L222 HydrophobicContact CD1-CD2 4.03Å; Y171-L222 HydrophobicContact CD2-CB 3.98Å; Y171-L222 HydrophobicContact CE2-CB 4.11Å; Y171-L222 VanDerWaalsContact CE2-O 3.28Å; Y171-L222 WeakPolarHBondContact CE2-O 3.46Å; Y171-L222 HydrophobicContact CG-CB 4.22Å; Y171-L222 HydrophobicContact CG-CD1 4.33Å; Y171-L222 HydrophobicContact CG-CD2 4.12Å; Y171-L222 HydrophobicContact CG-CG 4.47Å; Y171-L222 PolarHBondContact OH-O 3.05Å; E218-L222 HydrophobicContact CG-CD1 4.12Å; E218-L222 HydrophobicContact CG-CG 4.49Å; E218-L222 WeakPolarHBondContact O-CB 3.21Å; E218-L222 VanDerWaalsContact O-CG 3.22Å; E218-L222 WeakPolarHBondContact O-CG 3.22Å; E218-L222 PolarHBondContact O-N 2.97Å; M219-L222 PolarHBondContact O-N 3.4Å; N220-L222 VanDerWaalsContact C-N 3.33Å; N220-L222 PolarHBondContact O-N 3.05Å; L222-M224 HydrophobicContact CB-CB 4.36Å; L222-R373 WeakPolarHBondContact O-CD 3.2Å; L222-R373 WeakPolarHBondContact O-CG 3.38Å
223	G	98.9	Very high	98.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	36.3	-164.1	0	0	0	0	0	111.4	M219 N220 R221 V369	M219-G223 PolarHBondContact O-N 2.83Å; N220-G223 PolarHBondContact O-N 3.06Å; R221-G223 VanDerWaalsContact C-N 3.34Å; G223-V369 VanDerWaalsContact C-CG1 3.43Å; G223-V369 WeakPolarHBondContact O-CG1 3.42Å
224	M	98.9	Very high	97.8	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-92.6	128	167.6	-172.8	179.9	-68.9	0	0	108.2	L167 Y171 V175 M178 M219 L222 V226	L167-M224 HydrophobicContact CD1-CE 3.87Å; L167-M224 HydrophobicContact CD1-SD 3.58Å; L167-M224 VanDerWaalsContact CD1-SD 3.58Å; Y171-M224 HydrophobicContact CD2-CB 4.06Å; Y171-M224 HydrophobicContact CD2-CE 3.77Å; Y171-M224 HydrophobicContact CE2-CB 4.34Å; Y171-M224 HydrophobicContact CG-CE 4.22Å; V175-M224 HydrophobicContact CB-CE 4.27Å; V175-M224 HydrophobicContact CG1-CE 3.94Å; V175-M224 HydrophobicContact CG1-SD 4.33Å; M178-M224 HydrophobicContact CB-SD 3.93Å; M219-M224 HydrophobicContact CB-CB 4.2Å; M219-M224 HydrophobicContact CE-CG 4.02Å; M219-M224 HydrophobicContact CE-SD 3.98Å; M219-M224 HydrophobicContact CG-CB 4.43Å; M219-M224 HydrophobicContact CG-SD 4.27Å; M219-M224 PolarHBondContact O-N 3.47Å; L222-M224 HydrophobicContact CB-CB 4.36Å; M224-V226 PolarHBondContact O-N 2.95Å
225	I	98.9	Very high	97.5	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.2	177.4	-56.6	170.5	0	0	0	108.8	R176 S177 M178 M219 I248 F362 F366 V369	R176-I225 WeakPolarHBondContact O-CB 3.37Å; R176-I225 WeakPolarHBondContact O-CG1 3.45Å; R176-I225 PolarHBondContact O-N 3.2Å; S177-I225 WeakPolarHBondContact CA-O 3.46Å; M178-I225 PolarHBondContact N-O 3.04Å; M178-I225 VanDerWaalsContact N-O 3.14Å; M219-I225 WeakPolarHBondContact CE-O 3.36Å; I225-I248 HydrophobicContact CG2-CB 4.3Å; I225-I248 HydrophobicContact CG2-CD1 3.82Å; I225-I248 HydrophobicContact CG2-CG1 3.74Å; I225-I248 HydrophobicContact CG2-CG2 3.72Å; I225-F362 HydrophobicContact CD1-CE2 4.43Å; I225-F362 HydrophobicContact CD1-CZ 4.23Å; I225-F366 HydrophobicContact CD1-CB 4.32Å; I225-F366 HydrophobicContact CD1-CD2 3.94Å; I225-F366 HydrophobicContact CD1-CE2 4.45Å; I225-F366 HydrophobicContact CD1-CG 4.09Å; I225-F366 HydrophobicContact CG1-CD2 4.25Å; I225-V369 HydrophobicContact CG1-CB 4.43Å; I225-V369 HydrophobicContact CG1-CG1 4.14Å; I225-V369 HydrophobicContact CG1-CG2 4.19Å
226	V	98.9	Very high	97.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122	172.8	-177.5	0	0	0	0	108.5	L180 V216 M219 M224 L228 V239 V247 I248	L180-V226 HydrophobicContact CD1-CG1 3.78Å; L180-V226 HydrophobicContact CD2-CG1 3.91Å; L180-V226 HydrophobicContact CG-CG1 3.95Å; V216-V226 HydrophobicContact CG1-CG2 4.37Å; M219-V226 HydrophobicContact CB-CG2 3.95Å; M219-V226 HydrophobicContact CE-CB 4.13Å; M219-V226 HydrophobicContact CE-CG1 4.46Å; M219-V226 HydrophobicContact CE-CG2 3.77Å; M219-V226 HydrophobicContact SD-CG2 4Å; M224-V226 PolarHBondContact O-N 2.95Å; V226-L228 HydrophobicContact CG1-CD2 4.21Å; V226-V239 HydrophobicContact CG1-CG1 3.69Å; V226-V247 HydrophobicContact CB-CB 4.37Å; V226-V247 HydrophobicContact CB-CG1 4Å; V226-V247 HydrophobicContact CG1-CG1 4.38Å; V226-V247 WeakPolarHBondContact O-CA 3.31Å; V226-V247 WeakPolarHBondContact O-CB 3.23Å; V226-I248 PolarHBondContact O-N 2.82Å
227	D	98.9	Very high	97.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.8	178.5	174.2	26.3	0	0	0	111.5	M178 S179 L180 S229 I248 F249 S250	M178-D227 PolarHBondContact O-N 3.04Å; M178-D227 VanDerWaalsContact O-N 3.07Å; S179-D227 WeakPolarHBondContact CA-O 3.4Å; S179-D227 WeakPolarHBondContact CB-OD2 3.39Å; S179-D227 PolarHBondContact OG-OD2 3.16Å; L180-D227 PolarHBondContact N-O 2.82Å; D227-S229 WeakPolarHBondContact OD1-CB 3.43Å; D227-S229 PolarHBondContact OD1-N 3.05Å; D227-S229 PolarHBondContact OD1-OG 2.82Å; D227-I248 CarbonylContact C-O 3.49Å; D227-I248 WeakPolarHBondContact CA-O 3.33Å; D227-I248 HydrophobicContact CB-CD1 4.19Å; D227-I248 HydrophobicContact CB-CG1 3.77Å; D227-F249 WeakPolarHBondContact OD1-CA 3.42Å; D227-S250 VanDerWaalsContact CG-OG 3.28Å; D227-S250 PolarHBondContact OD1-N 2.98Å; D227-S250 PolarHBondContact OD1-OG 3.24Å; D227-S250 VanDerWaalsContact OD2-CB 3.22Å; D227-S250 WeakPolarHBondContact OD2-CB 3.18Å; D227-S250 PolarHBondContact OD2-OG 3.05Å
228	L	98.8	Very high	97.1	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.055	C	C	.	.			trans	-99.8	-2.7	-175	-59.8	-175	0	0	0	113.4	L180 V226 H230 T231 A236 V239 L240 V247 I248 F249	L180-L228 HydrophobicContact CD1-CD2 3.73Å; V226-L228 HydrophobicContact CG1-CD2 4.21Å; L228-H230 PolarHBondContact O-N 3.27Å; L228-T231 HydrophobicContact CD2-CG2 4.48Å; L228-T231 WeakPolarHBondContact O-CB 3.48Å; L228-T231 WeakPolarHBondContact O-CG2 3.38Å; L228-T231 PolarHBondContact O-N 3.4Å; L228-T231 VanDerWaalsContact O-N 3.1Å; L228-T231 PolarHBondContact O-OG1 2.94Å; L228-A236 HydrophobicContact CB-CB 4.41Å; L228-A236 HydrophobicContact CD1-CB 4.03Å; L228-V239 HydrophobicContact CD2-CB 3.88Å; L228-V239 HydrophobicContact CD2-CG1 3.76Å; L228-V239 HydrophobicContact CD2-CG2 4.37Å; L228-L240 HydrophobicContact CD1-CD1 4.2Å; L228-L240 HydrophobicContact CD1-CD2 4.31Å; L228-L240 HydrophobicContact CD1-CG 3.86Å; L228-V247 HydrophobicContact CD1-CB 4.33Å; L228-V247 HydrophobicContact CD1-CG2 3.54Å; L228-V247 HydrophobicContact CG-CB 4.41Å; L228-V247 HydrophobicContact CG-CG2 4.1Å; L228-I248 PolarHBondContact N-O 2.84Å; L228-F249 HydrophobicContact CB-CD1 3.72Å; L228-F249 HydrophobicContact CB-CD2 4.36Å; L228-F249 HydrophobicContact CB-CE1 3.44Å; L228-F249 VanDerWaalsContact CB-CE1 3.44Å; L228-F249 HydrophobicContact CB-CE2 4.12Å; L228-F249 HydrophobicContact CB-CG 4.17Å; L228-F249 HydrophobicContact CB-CZ 3.66Å; L228-F249 HydrophobicContact CD1-CE2 4.03Å; L228-F249 HydrophobicContact CD1-CZ 3.89Å; L228-F249 HydrophobicContact CG-CZ 4.44Å
229	S	98.5	Very high	97.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	142.8	168.8	-72.5	0	0	0	0	110.5	D227 T231 S250 H251 S252	D227-S229 WeakPolarHBondContact OD1-CB 3.43Å; D227-S229 PolarHBondContact OD1-N 3.05Å; D227-S229 PolarHBondContact OD1-OG 2.82Å; S229-T231 PolarHBondContact O-N 3.39Å; S229-S250 PolarHBondContact OG-N 3.27Å; S229-S250 VanDerWaalsContact OG-N 3.1Å; S229-H251 PolarHBondContact OG-N 3.47Å; S229-H251 PolarHBondContact OG-O 3.24Å; S229-S252 PolarHBondContact OG-OG 3.48Å
230	H	97.6	Very high	97	Very high	14 Å²	14	11.2 Å²	11.2	7%	0.065	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	-1.2	-171.9	-69	-89	0	0	0	117.6	E155 T181 H182 K191 E192 L228 H251 R262	E155-H230 IonicContact OE1-CD2 3.71Å; E155-H230 IonicContact OE1-NE2 2.97Å; E155-H230 PolarHBondContact OE1-NE2 2.85Å; T181-H230 WeakPolarHBondContact O-CB 3.46Å; T181-H230 VanDerWaalsContact OG1-C 3.25Å; T181-H230 PolarHBondContact OG1-O 2.91Å; H182-H230 AromaticContact CD2-CD2 3.89Å; H182-H230 AromaticContact CD2-CE1 3.49Å; H182-H230 PolarHBondContact CD2-CE1 3.28Å; H182-H230 VanDerWaalsContact CD2-CE1 3.49Å; H182-H230 AromaticContact CD2-CG 4Å; H182-H230 AromaticContact CD2-ND1 3.77Å; H182-H230 AromaticContact CD2-NE2 3.67Å; H182-H230 AromaticContact NE2-CE1 3.51Å; H182-H230 AromaticContact NE2-NE2 3.94Å; K191-H230 CarbonylContact C-O 3.53Å; K191-H230 VanDerWaalsContact CA-O 3.22Å; K191-H230 WeakPolarHBondContact CA-O 3.45Å; E192-H230 PolarHBondContact N-O 3.16Å; E192-H230 IonicContact OE1-ND1 3.45Å; E192-H230 VanDerWaalsContact OE2-C 3.31Å; E192-H230 WeakPolarHBondContact OE2-CA 2.87Å; E192-H230 WeakPolarHBondContact OE2-CB 3.47Å; E192-H230 IonicContact OE2-CG 3.35Å; E192-H230 IonicContact OE2-ND1 2.82Å; E192-H230 PolarHBondContact OE2-ND1 3.18Å; L228-H230 PolarHBondContact O-N 3.27Å; H230-H251 AromaticContact CD2-CE1 3.83Å; H230-H251 AromaticContact CD2-NE2 3.35Å; H230-H251 PolarHBondContact CD2-NE2 3.03Å; H230-H251 AromaticContact NE2-NE2 3.16Å; H230-H251 PolarHBondContact NE2-NE2 3.43Å; H230-H251 VanDerWaalsContact NE2-NE2 3.16Å; H230-R262 PolarHBondContact CD2-NH2 3.29Å; H230-R262 PolarHBondContact CE1-NE 3.16Å; H230-R262 PolarHBondContact ND1-NE 3.39Å; H230-R262 PolarHBondContact NE2-NE 3.11Å; H230-R262 PolarHBondContact NE2-NH2 3.41Å
231	T	96.6	Very high	96.9	Very high	8 Å²	8	17.1 Å²	17.1	5%	0.049	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-77.7	157.7	176.9	63.9	0	0	0	0	111.6	L180 T181 L228 S229 T235 A236	L180-T231 HydrophobicContact CB-CG2 3.82Å; L180-T231 HydrophobicContact CD1-CG2 4.5Å; T181-T231 WeakPolarHBondContact OG1-CA 3.17Å; T181-T231 PolarHBondContact OG1-N 2.89Å; L228-T231 HydrophobicContact CD2-CG2 4.48Å; L228-T231 WeakPolarHBondContact O-CB 3.48Å; L228-T231 WeakPolarHBondContact O-CG2 3.38Å; L228-T231 PolarHBondContact O-N 3.4Å; L228-T231 VanDerWaalsContact O-N 3.1Å; L228-T231 PolarHBondContact O-OG1 2.94Å; S229-T231 PolarHBondContact O-N 3.39Å; T231-T235 HydrophobicContact CG2-CG2 3.9Å; T231-A236 WeakPolarHBondContact OG1-CB 3.36Å
232	S	94.2	Very high	96.8	Very high	6 Å²	6	18 Å²	18	4%	0.042	9%	0.094	C	C	.	.			trans	-66.1	156.2	163.4	90.5	0	0	0	0	109.6	S190 K191 E234 T235 A236	S190-S232 PolarHBondContact O-N 2.88Å; S190-S232 WeakPolarHBondContact OG-CB 3.46Å; S190-S232 PolarHBondContact OG-OG 3.16Å; K191-S232 VanDerWaalsContact C-N 3.25Å; K191-S232 WeakPolarHBondContact O-CA 3.09Å; K191-S232 WeakPolarHBondContact O-CB 3.32Å; K191-S232 PolarHBondContact O-N 3.43Å; S232-E234 WeakPolarHBondContact CB-OE2 3.42Å; S232-E234 PolarHBondContact O-N 2.93Å; S232-E234 PolarHBondContact OG-N 3.38Å; S232-E234 PolarHBondContact OG-OE2 2.99Å; S232-T235 PolarHBondContact O-N 2.87Å; S232-T235 VanDerWaalsContact O-N 3.17Å; S232-T235 PolarHBondContact OG-N 3.47Å; S232-A236 PolarHBondContact O-N 2.92Å
233	F	93.8	Very high	96.8	Very high	35 Å²	35	17.8 Å²	17.8	15%	0.154	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-32.8	179.4	-55.2	-29.1	0	0	0	112.3	V195 A236 S237 Y255 N263 P265 W267 L268	V195-F233 HydrophobicContact CG2-CE2 3.67Å; V195-F233 HydrophobicContact CG2-CZ 4.3Å; F233-A236 PolarHBondContact O-N 2.94Å; F233-S237 WeakPolarHBondContact O-CB 3.22Å; F233-S237 PolarHBondContact O-N 3.5Å; F233-Y255 HydrophobicContact CZ-CD2 4.12Å; F233-Y255 HydrophobicContact CZ-CE2 4.21Å; F233-N263 WeakPolarHBondContact CE1-O 3.42Å; F233-P265 HydrophobicContact CD1-CG 4.25Å; F233-P265 HydrophobicContact CD2-CG 4.11Å; F233-P265 HydrophobicContact CE1-CG 4.26Å; F233-P265 HydrophobicContact CE2-CG 4.09Å; F233-P265 HydrophobicContact CG-CG 4.19Å; F233-P265 HydrophobicContact CZ-CG 4.17Å; F233-W267 HydrophobicContact CB-CH2 3.67Å; F233-W267 HydrophobicContact CB-CZ2 3.56Å; F233-W267 HydrophobicContact CD2-CZ2 4.27Å; F233-W267 HydrophobicContact CG-CZ2 4.16Å; F233-L268 HydrophobicContact CB-CD2 4.33Å; F233-L268 HydrophobicContact CD1-CD2 4.18Å
234	E	90.1	Very high	96.8	Very high	64 Å²	64	23.2 Å²	23.2	30%	0.299	12%	0.118	S	C	.	.	H	α-helix	trans	-71.4	-39.9	177.9	-53.8	83.6	-177.7	0	0	112.3	Y202 S232 A238	Y202-E234 HydrophobicContact CD2-CB 4.44Å; Y202-E234 HydrophobicContact CD2-CG 3.45Å; Y202-E234 VanDerWaalsContact CD2-CG 3.45Å; Y202-E234 HydrophobicContact CE2-CG 3.88Å; Y202-E234 HydrophobicContact CG-CG 4Å; S232-E234 WeakPolarHBondContact CB-OE2 3.42Å; S232-E234 PolarHBondContact O-N 2.93Å; S232-E234 PolarHBondContact OG-N 3.38Å; S232-E234 PolarHBondContact OG-OE2 2.99Å; E234-A238 WeakPolarHBondContact O-CB 3.31Å; E234-A238 PolarHBondContact O-N 3.45Å
235	T	93.4	Very high	96.8	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-48.1	172.5	-70.6	0	0	0	0	109.6	Y189 S190 T231 S232 S237 A238 V239	Y189-T235 HydrophobicContact CD1-CG2 3.97Å; Y189-T235 HydrophobicContact CG-CG2 3.94Å; S190-T235 PolarHBondContact N-OG1 3.48Å; S190-T235 PolarHBondContact O-OG1 3.41Å; S190-T235 PolarHBondContact OG-OG1 3.28Å; T231-T235 HydrophobicContact CG2-CG2 3.9Å; S232-T235 PolarHBondContact O-N 2.87Å; S232-T235 VanDerWaalsContact O-N 3.17Å; S232-T235 PolarHBondContact OG-N 3.47Å; T235-S237 PolarHBondContact O-N 2.74Å; T235-A238 PolarHBondContact O-N 2.73Å; T235-V239 HydrophobicContact CG2-CG2 4.39Å; T235-V239 VanDerWaalsContact O-CG2 3.27Å; T235-V239 WeakPolarHBondContact O-CG2 3.27Å; T235-V239 PolarHBondContact O-N 2.92Å
236	A	96.8	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-55.9	-51.5	178	0	0	0	0	0	112.3	L228 T231 S232 F233 A238 V239 L240 F249 L268	L228-A236 HydrophobicContact CB-CB 4.41Å; L228-A236 HydrophobicContact CD1-CB 4.03Å; T231-A236 WeakPolarHBondContact OG1-CB 3.36Å; S232-A236 PolarHBondContact O-N 2.92Å; F233-A236 PolarHBondContact O-N 2.94Å; A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 3.08Å; A236-V239 PolarHBondContact O-N 2.87Å; A236-L240 WeakPolarHBondContact O-CG 3.28Å; A236-L240 PolarHBondContact O-N 3.22Å; A236-F249 HydrophobicContact CB-CE1 4.41Å; A236-F249 HydrophobicContact CB-CZ 4.09Å; A236-L268 HydrophobicContact CB-CD1 3.89Å; A236-L268 HydrophobicContact CB-CD2 3.63Å; A236-L268 HydrophobicContact CB-CG 4.32Å
237	S	96.3	Very high	96.8	Very high	21 Å²	21	23.4 Å²	23.4	15%	0.147	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-42.9	179	-176.7	0	0	0	0	112.4	F233 T235 V239 L240 N241 E271	F233-S237 WeakPolarHBondContact O-CB 3.22Å; F233-S237 PolarHBondContact O-N 3.5Å; T235-S237 PolarHBondContact O-N 2.74Å; S237-V239 VanDerWaalsContact C-N 3.33Å; S237-V239 PolarHBondContact O-N 3.36Å; S237-L240 PolarHBondContact O-N 2.89Å; S237-N241 PolarHBondContact O-N 3.37Å; S237-N241 PolarHBondContact O-ND2 3.02Å; S237-E271 VanDerWaalsContact CA-OE2 3.25Å; S237-E271 WeakPolarHBondContact CA-OE2 3.2Å; S237-E271 WeakPolarHBondContact CB-OE2 3.27Å; S237-E271 VanDerWaalsContact OG-CD 3.31Å; S237-E271 PolarHBondContact OG-OE1 3.29Å; S237-E271 VanDerWaalsContact OG-OE1 3.13Å; S237-E271 PolarHBondContact OG-OE2 2.97Å
238	A	94.9	Very high	96.8	Very high	11 Å²	11	23.4 Å²	23.4	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-37.4	-180	0	0	0	0	0	112.6	S207 L208 E234 T235 A236 N241 H242	S207-A238 WeakPolarHBondContact OG-CB 3.32Å; L208-A238 HydrophobicContact CD1-CB 4.22Å; L208-A238 HydrophobicContact CD2-CB 3.83Å; L208-A238 HydrophobicContact CG-CB 3.69Å; E234-A238 WeakPolarHBondContact O-CB 3.31Å; E234-A238 PolarHBondContact O-N 3.45Å; T235-A238 PolarHBondContact O-N 2.73Å; A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 3.08Å; A238-N241 PolarHBondContact O-N 3.46Å; A238-H242 VanDerWaalsContact O-CB 3.31Å; A238-H242 WeakPolarHBondContact O-CB 3.33Å; A238-H242 PolarHBondContact O-N 2.73Å; A238-H242 VanDerWaalsContact O-N 3.1Å
239	V	97.3	Very high	96.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72.6	-39.3	176.4	174.4	0	0	0	0	111.4	L180 L208 V216 V226 L228 T235 A236 S237 N241 H242 S243 V247	L180-V239 HydrophobicContact CD1-CB 4.35Å; L180-V239 HydrophobicContact CD1-CG1 4.12Å; L180-V239 HydrophobicContact CD1-CG2 3.61Å; L208-V239 HydrophobicContact CD1-CG2 4.17Å; L208-V239 HydrophobicContact CD2-CG2 3.68Å; V216-V239 HydrophobicContact CG1-CG1 4.45Å; V216-V239 HydrophobicContact CG2-CG1 3.94Å; V216-V239 HydrophobicContact CG2-CG2 4.18Å; V226-V239 HydrophobicContact CG1-CG1 3.69Å; L228-V239 HydrophobicContact CD2-CB 3.88Å; L228-V239 HydrophobicContact CD2-CG1 3.76Å; L228-V239 HydrophobicContact CD2-CG2 4.37Å; T235-V239 HydrophobicContact CG2-CG2 4.39Å; T235-V239 VanDerWaalsContact O-CG2 3.27Å; T235-V239 WeakPolarHBondContact O-CG2 3.27Å; T235-V239 PolarHBondContact O-N 2.92Å; A236-V239 PolarHBondContact O-N 2.87Å; S237-V239 VanDerWaalsContact C-N 3.33Å; S237-V239 PolarHBondContact O-N 3.36Å; V239-N241 PolarHBondContact O-N 3.28Å; V239-H242 PolarHBondContact O-N 2.96Å; V239-H242 VanDerWaalsContact O-N 3.1Å; V239-S243 VanDerWaalsContact O-CB 3.28Å; V239-S243 WeakPolarHBondContact O-CB 3.25Å; V239-S243 PolarHBondContact O-N 2.65Å; V239-V247 HydrophobicContact CG1-CG1 4.45Å
240	L	97.9	Very high	96.8	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.058	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-39.7	173.1	-78.9	163.3	0	0	0	111.8	L228 A236 S237 V247 L268 E271 L272 N275	L228-L240 HydrophobicContact CD1-CD1 4.2Å; L228-L240 HydrophobicContact CD1-CD2 4.31Å; L228-L240 HydrophobicContact CD1-CG 3.86Å; A236-L240 WeakPolarHBondContact O-CG 3.28Å; A236-L240 PolarHBondContact O-N 3.22Å; S237-L240 PolarHBondContact O-N 2.89Å; L240-V247 HydrophobicContact CD2-CG2 3.34Å; L240-V247 HydrophobicContact CG-CG2 4.16Å; L240-L268 HydrophobicContact CD1-CD1 3.43Å; L240-L268 VanDerWaalsContact CD1-CD1 3.43Å; L240-L268 HydrophobicContact CD1-CG 4.34Å; L240-E271 HydrophobicContact CD1-CB 3.82Å; L240-L272 HydrophobicContact CD2-CB 4.47Å; L240-L272 HydrophobicContact CD2-CD1 4.02Å; L240-N275 HydrophobicContact CD2-CB 3.54Å
241	N	96.3	Very high	96.9	Very high	126 Å²	126	23.1 Å²	23.1	67%	0.674	12%	0.118	S	C	*	.	H	α-helix	trans	-76.1	-21.2	177.2	-72.8	-48.1	0	0	0	114	S237 A238 V239	S237-N241 PolarHBondContact O-N 3.37Å; S237-N241 PolarHBondContact O-ND2 3.02Å; A238-N241 PolarHBondContact O-N 3.46Å; V239-N241 PolarHBondContact O-N 3.28Å
242	H	97.5	Very high	97	Very high	56 Å²	56	22.7 Å²	22.7	26%	0.259	12%	0.115	S	C	.	.	H	α-helix	trans	-100.3	-35.5	-176.7	-176.6	80	0	0	0	113.5	L208 K213 D217 A238 V239	L208-H242 HydrophobicContact CD1-CB 3.8Å; K213-H242 PolarHBondContact O-NE2 2.78Å; D217-H242 IonicContact OD1-CD2 3.87Å; D217-H242 IonicContact OD1-CE1 3.67Å; D217-H242 IonicContact OD1-NE2 3.69Å; D217-H242 PolarHBondContact OD1-NE2 3.05Å; A238-H242 VanDerWaalsContact O-CB 3.31Å; A238-H242 WeakPolarHBondContact O-CB 3.33Å; A238-H242 PolarHBondContact O-N 2.73Å; A238-H242 VanDerWaalsContact O-N 3.1Å; V239-H242 PolarHBondContact O-N 2.96Å; V239-H242 VanDerWaalsContact O-N 3.1Å
243	S	98.5	Very high	97.2	Very high	14 Å²	14	22.4 Å²	22.4	10%	0.098	11%	0.113	C	C	.	.			trans	-65.1	134.8	-175.1	-175.9	0	0	0	0	111.7	N220 V239 A245	N220-S243 PolarHBondContact ND2-OG 2.87Å; V239-S243 VanDerWaalsContact O-CB 3.28Å; V239-S243 WeakPolarHBondContact O-CB 3.25Å; V239-S243 PolarHBondContact O-N 2.65Å; S243-A245 PolarHBondContact OG-N 2.95Å; S243-A245 PolarHBondContact OG-O 3.2Å
244	K	98.6	Very high	97.4	Very high	113 Å²	113	20.8 Å²	20.8	49%	0.491	11%	0.106	S	C	.	.	S	Bend	trans	-83.6	-18.3	175.9	-61	-180	-177.2	-177.8	0	113.2	N220 V372 L376	N220-K244 PolarHBondContact OD1-N 3.45Å; K244-V372 HydrophobicContact CB-CG1 4.1Å; K244-L376 HydrophobicContact CD-CD1 4.27Å
245	A	98.8	Very high	97.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.008	10%	0.103	C	C	.	.	S	Bend	trans	-112.3	158.6	177.2	0	0	0	0	0	110.5	S243 V369 V372	S243-A245 PolarHBondContact OG-N 2.95Å; S243-A245 PolarHBondContact OG-O 3.2Å; A245-V369 HydrophobicContact CB-CB 4.47Å; A245-V369 HydrophobicContact CB-CG2 3.86Å; A245-V372 HydrophobicContact CB-CB 4.01Å; A245-V372 HydrophobicContact CB-CG1 4.17Å; A245-V372 HydrophobicContact CB-CG2 3.86Å
246	P	98.9	Very high	98	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.045	13%	0.128	C	C	.	.			trans	-59.6	144.6	171.1	-19.3	30.8	0	0	0	111.5	N275 V365 E368 V369	P246-N275 VanDerWaalsContact CA-OD1 3.27Å; P246-N275 WeakPolarHBondContact CA-OD1 3.48Å; P246-V365 HydrophobicContact CB-CG1 4.18Å; P246-V365 HydrophobicContact CB-CG2 4.21Å; P246-E368 HydrophobicContact CG-CB 3.71Å; P246-E368 HydrophobicContact CG-CG 4.39Å; P246-E368 WeakPolarHBondContact CG-OE2 3.22Å; P246-V369 WeakPolarHBondContact O-CG2 3.39Å
247	V	98.9	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.			trans	-108	170	178.9	-50.4	0	0	0	0	110.9	V226 L228 V239 L240 L272 N275 G277 L278	V226-V247 HydrophobicContact CB-CB 4.37Å; V226-V247 HydrophobicContact CB-CG1 4Å; V226-V247 HydrophobicContact CG1-CG1 4.38Å; V226-V247 WeakPolarHBondContact O-CA 3.31Å; V226-V247 WeakPolarHBondContact O-CB 3.23Å; L228-V247 HydrophobicContact CD1-CB 4.33Å; L228-V247 HydrophobicContact CD1-CG2 3.54Å; L228-V247 HydrophobicContact CG-CB 4.41Å; L228-V247 HydrophobicContact CG-CG2 4.1Å; V239-V247 HydrophobicContact CG1-CG1 4.45Å; L240-V247 HydrophobicContact CD2-CG2 3.34Å; L240-V247 HydrophobicContact CG-CG2 4.16Å; V247-L272 HydrophobicContact CG2-CD1 3.86Å; V247-N275 PolarHBondContact N-OD1 3.47Å; V247-G277 CarbonylContact O-C 3.56Å; V247-G277 WeakPolarHBondContact O-CA 3.46Å; V247-L278 PolarHBondContact O-N 2.97Å
248	I	98.9	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	160.1	173	71.8	175.4	0	0	0	111.9	M95 I225 V226 D227 L228 L278 M280 V365	M95-I248 HydrophobicContact CE-CD1 3.79Å; I225-I248 HydrophobicContact CG2-CB 4.3Å; I225-I248 HydrophobicContact CG2-CD1 3.82Å; I225-I248 HydrophobicContact CG2-CG1 3.74Å; I225-I248 HydrophobicContact CG2-CG2 3.72Å; V226-I248 PolarHBondContact O-N 2.82Å; D227-I248 CarbonylContact C-O 3.49Å; D227-I248 WeakPolarHBondContact CA-O 3.33Å; D227-I248 HydrophobicContact CB-CD1 4.19Å; D227-I248 HydrophobicContact CB-CG1 3.77Å; L228-I248 PolarHBondContact N-O 2.84Å; I248-L278 CarbonylContact C-O 3.26Å; I248-L278 WeakPolarHBondContact CA-O 3.41Å; I248-L278 HydrophobicContact CG2-CB 4.08Å; I248-M280 HydrophobicContact CD1-SD 4.29Å; I248-V365 HydrophobicContact CG2-CG1 3.8Å
249	F	98.9	Very high	98.2	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	106.3	147.6	-67.4	-96.8	0	0	0	106.1	D227 L228 A236 H251 V264 L268 L272 L278 I279 M280	D227-F249 WeakPolarHBondContact OD1-CA 3.42Å; L228-F249 HydrophobicContact CB-CD1 3.72Å; L228-F249 HydrophobicContact CB-CD2 4.36Å; L228-F249 HydrophobicContact CB-CE1 3.44Å; L228-F249 VanDerWaalsContact CB-CE1 3.44Å; L228-F249 HydrophobicContact CB-CE2 4.12Å; L228-F249 HydrophobicContact CB-CG 4.17Å; L228-F249 HydrophobicContact CB-CZ 3.66Å; L228-F249 HydrophobicContact CD1-CE2 4.03Å; L228-F249 HydrophobicContact CD1-CZ 3.89Å; L228-F249 HydrophobicContact CG-CZ 4.44Å; A236-F249 HydrophobicContact CB-CE1 4.41Å; A236-F249 HydrophobicContact CB-CZ 4.09Å; F249-H251 VanDerWaalsContact C-N 3.26Å; F249-H251 PolarHBondContact O-N 3.49Å; F249-V264 HydrophobicContact CD1-CG2 3.75Å; F249-V264 HydrophobicContact CD2-CG2 4.27Å; F249-V264 HydrophobicContact CE1-CG2 3.78Å; F249-V264 HydrophobicContact CE2-CG1 4.27Å; F249-V264 HydrophobicContact CE2-CG2 4.29Å; F249-V264 HydrophobicContact CG-CG2 4Å; F249-V264 HydrophobicContact CZ-CG1 4.12Å; F249-V264 HydrophobicContact CZ-CG2 4.06Å; F249-L268 HydrophobicContact CZ-CD2 3.95Å; F249-L268 HydrophobicContact CZ-CG 4.2Å; F249-L272 HydrophobicContact CD2-CD1 4.1Å; F249-L272 HydrophobicContact CD2-CD2 3.88Å; F249-L272 HydrophobicContact CE2-CD1 4.01Å; F249-L272 HydrophobicContact CE2-CD2 4.06Å; F249-L272 HydrophobicContact CE2-CG 4.47Å; F249-L278 PolarHBondContact N-O 3.07Å; F249-I279 HydrophobicContact CB-CB 4.49Å; F249-I279 HydrophobicContact CB-CG1 4.27Å; F249-M280 VanDerWaalsContact O-CB 3.31Å; F249-M280 WeakPolarHBondContact O-CB 3.5Å; F249-M280 PolarHBondContact O-N 2.57Å
250	S	98.9	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.7	-172.3	66.6	0	0	0	0	114.1	D227 S229 M280 G318	D227-S250 VanDerWaalsContact CG-OG 3.28Å; D227-S250 PolarHBondContact OD1-N 2.98Å; D227-S250 PolarHBondContact OD1-OG 3.24Å; D227-S250 VanDerWaalsContact OD2-CB 3.22Å; D227-S250 WeakPolarHBondContact OD2-CB 3.18Å; D227-S250 PolarHBondContact OD2-OG 3.05Å; S229-S250 PolarHBondContact OG-N 3.27Å; S229-S250 VanDerWaalsContact OG-N 3.1Å; S250-M280 VanDerWaalsContact O-CB 3.32Å; S250-M280 WeakPolarHBondContact O-CB 3.44Å; S250-G318 VanDerWaalsContact O-CA 3.27Å; S250-G318 WeakPolarHBondContact O-CA 3.08Å
251	H	98.8	Very high	97.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-159.1	82.5	176.3	58.4	-69.2	0	0	0	109.8	H53 E155 S229 H230 F249 R262 M280 N282 G318 D320	H53-H251 HydrophobicContact CB-CB 3.78Å; H53-H251 AromaticContact CD2-ND1 3.95Å; H53-H251 AromaticContact CE1-CE1 3.45Å; H53-H251 PolarHBondContact CE1-CE1 2.96Å; H53-H251 VanDerWaalsContact CE1-CE1 3.45Å; H53-H251 AromaticContact CE1-ND1 3.64Å; H53-H251 AromaticContact CG-CE1 3.92Å; H53-H251 AromaticContact CG-CG 3.72Å; H53-H251 AromaticContact CG-ND1 3.34Å; H53-H251 VanDerWaalsContact CG-ND1 3.34Å; H53-H251 AromaticContact ND1-CE1 3.44Å; H53-H251 PolarHBondContact ND1-CE1 3.45Å; H53-H251 AromaticContact ND1-CG 3.97Å; H53-H251 AromaticContact ND1-ND1 3.13Å; H53-H251 PolarHBondContact ND1-ND1 3.12Å; H53-H251 VanDerWaalsContact ND1-ND1 3.13Å; H53-H251 AromaticContact NE2-CE1 3.98Å; E155-H251 IonicContact OE1-CE1 3.38Å; E155-H251 PolarHBondContact OE1-CE1 3.21Å; E155-H251 IonicContact OE1-NE2 2.66Å; E155-H251 PolarHBondContact OE1-NE2 2.89Å; S229-H251 PolarHBondContact OG-N 3.47Å; S229-H251 PolarHBondContact OG-O 3.24Å; H230-H251 AromaticContact CD2-CE1 3.83Å; H230-H251 AromaticContact CD2-NE2 3.35Å; H230-H251 PolarHBondContact CD2-NE2 3.03Å; H230-H251 AromaticContact NE2-NE2 3.16Å; H230-H251 PolarHBondContact NE2-NE2 3.43Å; H230-H251 VanDerWaalsContact NE2-NE2 3.16Å; F249-H251 VanDerWaalsContact C-N 3.26Å; F249-H251 PolarHBondContact O-N 3.49Å; H251-R262 PolarHBondContact CD2-NH2 3.35Å; H251-R262 PolarHBondContact NE2-NH2 2.91Å; H251-R262 PolarHBondContact O-NH2 3.47Å; H251-M280 CarbonylContact C-O 3.51Å; H251-M280 VanDerWaalsContact CA-O 3.27Å; H251-M280 WeakPolarHBondContact CA-O 3.5Å; H251-N282 HydrophobicContact CB-CB 4.18Å; H251-N282 PolarHBondContact CD2-ND2 3.17Å; H251-N282 PolarHBondContact O-ND2 2.94Å; H251-G318 WeakPolarHBondContact CB-O 3.39Å; H251-D320 HydrophobicContact CB-CB 4.24Å; H251-D320 IonicContact CD2-OD2 3.97Å
252	S	98.8	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.			trans	-147.2	153.5	173.3	-58.8	0	0	0	0	110.8	S229 R262 I279 M280 V281	S229-S252 PolarHBondContact OG-OG 3.48Å; S252-R262 WeakPolarHBondContact CB-O 3.45Å; S252-R262 PolarHBondContact OG-NH1 3.18Å; S252-R262 PolarHBondContact OG-O 3.09Å; S252-I279 WeakPolarHBondContact O-CD1 3.31Å; S252-I279 VanDerWaalsContact O-CG1 3.24Å; S252-I279 WeakPolarHBondContact O-CG1 3.31Å; S252-M280 PolarHBondContact N-O 3.44Å; S252-V281 WeakPolarHBondContact O-CA 3.29Å
253	S	98.8	Very high	97.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.			trans	-119.8	178.5	-174.5	-55.3	0	0	0	0	111.5	N263 V264 N282 H302	S253-N263 WeakPolarHBondContact CB-OD1 3.42Å; S253-N263 PolarHBondContact N-OD1 2.82Å; S253-N263 CarbonylContact O-C 3.54Å; S253-N263 WeakPolarHBondContact O-CA 3.14Å; S253-N263 WeakPolarHBondContact O-CB 3.34Å; S253-V264 PolarHBondContact O-N 2.8Å; S253-N282 PolarHBondContact OG-N 3.1Å; S253-N282 VanDerWaalsContact OG-N 3.11Å; S253-N282 PolarHBondContact OG-O 2.97Å; S253-N282 VanDerWaalsContact OG-O 3.05Å; S253-H302 WeakPolarHBondContact CB-ND1 3.4Å
254	S	98.6	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-69.7	128.3	178.2	167.7	0	0	0	0	113.6	M256 C258 N263 H302 Y305	S254-M256 VanDerWaalsContact C-N 3.34Å; S254-M256 PolarHBondContact OG-N 2.87Å; S254-C258 PolarHBondContact O-N 2.96Å; S254-N263 PolarHBondContact O-ND2 3.09Å; S254-H302 PolarHBondContact N-ND1 3.25Å; S254-H302 PolarHBondContact O-CE1 3.39Å; S254-H302 PolarHBondContact O-ND1 2.95Å; S254-Y305 VanDerWaalsContact OG-CD1 3.23Å; S254-Y305 WeakPolarHBondContact OG-CD1 3.47Å
255	Y	98	Very high	97.9	Very high	60 Å²	60	22 Å²	22	24%	0.235	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-30	176.6	-173.2	-86.1	0	0	0	112.5	F233 I257 C258 N259 N260 N263 V264 P265	F233-Y255 HydrophobicContact CZ-CD2 4.12Å; F233-Y255 HydrophobicContact CZ-CE2 4.21Å; Y255-I257 VanDerWaalsContact C-N 3.3Å; Y255-I257 PolarHBondContact O-N 2.72Å; Y255-C258 CarbonylContact C-O 3.39Å; Y255-C258 WeakPolarHBondContact CA-O 3.37Å; Y255-C258 CarbonylContact O-C 3.08Å; Y255-C258 VanDerWaalsContact O-O 3.1Å; Y255-N259 HydrophobicContact CD1-CB 4.48Å; Y255-N259 HydrophobicContact CE1-CB 3.95Å; Y255-N259 HydrophobicContact CE2-CB 4.43Å; Y255-N259 WeakPolarHBondContact O-CA 3.42Å; Y255-N259 PolarHBondContact O-N 3.35Å; Y255-N260 WeakPolarHBondContact CD2-O 3.15Å; Y255-N260 WeakPolarHBondContact CE2-O 3.32Å; Y255-N263 HydrophobicContact CD2-CB 4.38Å; Y255-V264 VanDerWaalsContact CB-C 3.48Å; Y255-V264 VanDerWaalsContact CB-O 3.28Å; Y255-V264 WeakPolarHBondContact CB-O 3.21Å; Y255-V264 PolarHBondContact N-O 3.45Å; Y255-P265 HydrophobicContact CG-CB 4.46Å
256	M	97.7	Very high	97.9	Very high	109 Å²	109	23.5 Å²	23.5	54%	0.537	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.9	179	-174.2	64.9	72.4	0	0	111.9	S254 D266 Y305	S254-M256 VanDerWaalsContact C-N 3.34Å; S254-M256 PolarHBondContact OG-N 2.87Å; M256-D266 WeakPolarHBondContact CE-OD2 3.39Å; M256-Y305 HydrophobicContact CB-CD1 4.29Å; M256-Y305 HydrophobicContact CB-CE1 3.59Å; M256-Y305 HydrophobicContact CB-CE2 3.99Å; M256-Y305 VanDerWaalsContact CB-CZ 3.44Å; M256-Y305 HydrophobicContact CG-CD2 4.42Å; M256-Y305 HydrophobicContact CG-CE1 4.13Å; M256-Y305 HydrophobicContact CG-CE2 3.59Å; M256-Y305 VanDerWaalsContact CG-CZ 3.44Å; M256-Y305 WeakPolarHBondContact CG-OH 3.36Å
257	I	98.4	Very high	97.8	Very high	66 Å²	66	28.9 Å²	28.9	34%	0.338	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-42.3	178.7	-59.9	-56.4	0	0	0	111.3	Y255 D301 H302 Y305	Y255-I257 VanDerWaalsContact C-N 3.3Å; Y255-I257 PolarHBondContact O-N 2.72Å; I257-D301 HydrophobicContact CG2-CB 4.29Å; I257-H302 WeakPolarHBondContact CG2-NE2 3.44Å; I257-Y305 HydrophobicContact CD1-CD2 3.83Å; I257-Y305 HydrophobicContact CD1-CG 3.87Å; I257-Y305 HydrophobicContact CG1-CD1 4.43Å; I257-Y305 HydrophobicContact CG1-CD2 4.35Å; I257-Y305 HydrophobicContact CG1-CG 3.89Å
258	C	97.8	Very high	97.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	14%	0.14	C	C	.	.	S	Bend	trans	-135.6	114.1	172.5	164.5	0	0	0	0	109.6	S254 Y255 N260 N263 P286 F287 C290	S254-C258 PolarHBondContact O-N 2.96Å; Y255-C258 CarbonylContact C-O 3.39Å; Y255-C258 WeakPolarHBondContact CA-O 3.37Å; Y255-C258 CarbonylContact O-C 3.08Å; Y255-C258 VanDerWaalsContact O-O 3.1Å; C258-N260 PolarHBondContact O-N 3.13Å; C258-N263 PolarHBondContact O-ND2 3.28Å; C258-P286 PolarHBondContact SG-O 3.31Å; C258-F287 WeakPolarHBondContact CB-O 3.4Å; C258-F287 PolarHBondContact SG-O 3.33Å; C258-F287 VanDerWaalsContact SG-O 3.38Å; C258-C290 WeakPolarHBondContact CA-SG 3.45Å; C258-C290 HydrophobicContact CB-CB 4.02Å; C258-C290 WeakPolarHBondContact CB-SG 3.48Å; C258-C290 WeakPolarHBondContact SG-CA 3.27Å; C258-C290 WeakPolarHBondContact SG-CB 3.28Å; C258-C290 PolarHBondContact SG-N 3.46Å; C258-C290 CovalentContact SG-SG 2.04Å; C258-C290 PolarHBondContact SG-SG 2.78Å
259	N	95.5	Very high	97.7	Very high	114 Å²	114	28.9 Å²	28.9	61%	0.61	14%	0.14	S	C	*	.			trans	-73.5	54.3	-177	66.3	-19.7	0	0	0	113.3	Y255 C290	Y255-N259 HydrophobicContact CD1-CB 4.48Å; Y255-N259 HydrophobicContact CE1-CB 3.95Å; Y255-N259 HydrophobicContact CE2-CB 4.43Å; Y255-N259 WeakPolarHBondContact O-CA 3.42Å; Y255-N259 PolarHBondContact O-N 3.35Å; N259-C290 PolarHBondContact N-SG 2.95Å; N259-C290 PolarHBondContact OD1-SG 2.73Å; N259-C290 VanDerWaalsContact OD1-SG 3.36Å
260	N	95.3	Very high	97.7	Very high	34 Å²	34	31.7 Å²	31.7	18%	0.182	15%	0.153	C	C	.	.			trans	-98.8	135.5	175.5	-168.3	-60.9	0	0	0	110	Y255 C258 R262 N263 F287	Y255-N260 WeakPolarHBondContact CD2-O 3.15Å; Y255-N260 WeakPolarHBondContact CE2-O 3.32Å; C258-N260 PolarHBondContact O-N 3.13Å; N260-R262 PolarHBondContact O-N 3.48Å; N260-R262 WeakPolarHBondContact OD1-CB 3.38Å; N260-R262 PolarHBondContact OD1-N 3.34Å; N260-N263 WeakPolarHBondContact O-CB 3.2Å; N260-N263 PolarHBondContact O-N 2.93Å; N260-F287 HydrophobicContact CB-CD1 4.42Å; N260-F287 WeakPolarHBondContact ND2-CD1 3.32Å
261	P	93.5	Very high	97.6	Very high	31 Å²	31	34.2 Å²	34.2	20%	0.201	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.9	176.8	-25.1	33.6	0	0	0	115.7	H193 A194 N263	H193-P261 WeakPolarHBondContact O-CB 3.43Å; A194-P261 HydrophobicContact CB-CG 4.49Å; P261-N263 VanDerWaalsContact C-N 3.26Å
262	R	96.6	Very high	97.6	Very high	15 Å²	15	34.1 Å²	34.1	6%	0.057	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.5	172.5	-73.6	-66.7	-64.4	93.7	-2	113.5	E192 H230 H251 S252 N260 F287	E192-R262 VanDerWaalsContact CG-CD 3.42Å; E192-R262 HydrophobicContact CG-CG 4.04Å; H230-R262 PolarHBondContact CD2-NH2 3.29Å; H230-R262 PolarHBondContact CE1-NE 3.16Å; H230-R262 PolarHBondContact ND1-NE 3.39Å; H230-R262 PolarHBondContact NE2-NE 3.11Å; H230-R262 PolarHBondContact NE2-NH2 3.41Å; H251-R262 PolarHBondContact CD2-NH2 3.35Å; H251-R262 PolarHBondContact NE2-NH2 2.91Å; H251-R262 PolarHBondContact O-NH2 3.47Å; S252-R262 WeakPolarHBondContact CB-O 3.45Å; S252-R262 PolarHBondContact OG-NH1 3.18Å; S252-R262 PolarHBondContact OG-O 3.09Å; N260-R262 PolarHBondContact O-N 3.48Å; N260-R262 WeakPolarHBondContact OD1-CB 3.38Å; N260-R262 PolarHBondContact OD1-N 3.34Å; R262-F287 HydrophobicContact CB-CD1 4.23Å; R262-F287 HydrophobicContact CB-CD2 4.07Å; R262-F287 HydrophobicContact CB-CE1 3.99Å; R262-F287 HydrophobicContact CB-CE2 3.81Å; R262-F287 HydrophobicContact CB-CG 4.3Å; R262-F287 HydrophobicContact CB-CZ 3.79Å; R262-F287 HydrophobicContact CG-CE1 3.94Å; R262-F287 HydrophobicContact CG-CE2 3.89Å; R262-F287 HydrophobicContact CG-CZ 3.52Å
263	N	98.4	Very high	97.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-95.5	154.4	178.4	-71.4	-16.2	0	0	0	111.9	F233 S253 S254 Y255 C258 N260 P261 F287	F233-N263 WeakPolarHBondContact CE1-O 3.42Å; S253-N263 WeakPolarHBondContact CB-OD1 3.42Å; S253-N263 PolarHBondContact N-OD1 2.82Å; S253-N263 CarbonylContact O-C 3.54Å; S253-N263 WeakPolarHBondContact O-CA 3.14Å; S253-N263 WeakPolarHBondContact O-CB 3.34Å; S254-N263 PolarHBondContact O-ND2 3.09Å; Y255-N263 HydrophobicContact CD2-CB 4.38Å; C258-N263 PolarHBondContact O-ND2 3.28Å; N260-N263 WeakPolarHBondContact O-CB 3.2Å; N260-N263 PolarHBondContact O-N 2.93Å; P261-N263 VanDerWaalsContact C-N 3.26Å; N263-F287 PolarHBondContact ND2-O 2.87Å
264	V	98.4	Very high	97.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-92.3	122.6	-170.9	-170.8	0	0	0	0	110.2	F249 S253 Y255 L268 L269 I279	F249-V264 HydrophobicContact CD1-CG2 3.75Å; F249-V264 HydrophobicContact CD2-CG2 4.27Å; F249-V264 HydrophobicContact CE1-CG2 3.78Å; F249-V264 HydrophobicContact CE2-CG1 4.27Å; F249-V264 HydrophobicContact CE2-CG2 4.29Å; F249-V264 HydrophobicContact CG-CG2 4Å; F249-V264 HydrophobicContact CZ-CG1 4.12Å; F249-V264 HydrophobicContact CZ-CG2 4.06Å; S253-V264 PolarHBondContact O-N 2.8Å; Y255-V264 VanDerWaalsContact CB-C 3.48Å; Y255-V264 VanDerWaalsContact CB-O 3.28Å; Y255-V264 WeakPolarHBondContact CB-O 3.21Å; Y255-V264 PolarHBondContact N-O 3.45Å; V264-L268 HydrophobicContact CG1-CB 3.87Å; V264-L268 HydrophobicContact CG1-CD2 3.91Å; V264-L268 HydrophobicContact CG1-CG 3.85Å; V264-L269 HydrophobicContact CB-CD2 3.98Å; V264-L269 HydrophobicContact CB-CG 4.19Å; V264-L269 HydrophobicContact CG1-CD2 3.74Å; V264-L269 HydrophobicContact CG1-CG 3.8Å; V264-I279 HydrophobicContact CB-CD1 3.99Å; V264-I279 HydrophobicContact CG2-CD1 3.64Å
265	P	97.9	Very high	97.6	Very high	11 Å²	11	45 Å²	45	7%	0.071	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-73.2	155.7	175.6	31.4	-36	0	0	0	112.4	F233 Y255 W267 L268 L269	F233-P265 HydrophobicContact CD1-CG 4.25Å; F233-P265 HydrophobicContact CD2-CG 4.11Å; F233-P265 HydrophobicContact CE1-CG 4.26Å; F233-P265 HydrophobicContact CE2-CG 4.09Å; F233-P265 HydrophobicContact CG-CG 4.19Å; F233-P265 HydrophobicContact CZ-CG 4.17Å; Y255-P265 HydrophobicContact CG-CB 4.46Å; P265-W267 VanDerWaalsContact C-N 3.34Å; P265-W267 HydrophobicContact CG-CD2 4.4Å; P265-W267 HydrophobicContact CG-CZ2 3.92Å; P265-W267 PolarHBondContact O-N 2.58Å; P265-L268 HydrophobicContact CG-CB 3.93Å; P265-L268 WeakPolarHBondContact O-CA 3.36Å; P265-L268 WeakPolarHBondContact O-CB 3.44Å; P265-L268 PolarHBondContact O-N 3.16Å; P265-L269 PolarHBondContact O-N 3.35Å
266	D	98.3	Very high	97.6	Very high	34 Å²	34	48.8 Å²	48.8	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-53	-44.5	-174.3	-64.4	-1.5	0	0	0	114	M256 L268 L269 Q270 Y305 F309	M256-D266 WeakPolarHBondContact CE-OD2 3.39Å; D266-L268 PolarHBondContact O-N 3.44Å; D266-L269 WeakPolarHBondContact O-CB 3.49Å; D266-L269 PolarHBondContact O-N 3.44Å; D266-L269 VanDerWaalsContact O-N 3.16Å; D266-Q270 PolarHBondContact O-N 3.42Å; D266-Y305 WeakPolarHBondContact OD1-CE1 3.07Å; D266-Y305 PolarHBondContact OD1-OH 2.66Å; D266-Y305 PolarHBondContact OD2-OH 3.32Å; D266-F309 HydrophobicContact CB-CD1 4.39Å; D266-F309 HydrophobicContact CB-CE1 3.72Å; D266-F309 HydrophobicContact CB-CE2 4.3Å; D266-F309 HydrophobicContact CB-CZ 3.66Å; D266-F309 VanDerWaalsContact O-CE1 3.23Å; D266-F309 WeakPolarHBondContact O-CE1 3.24Å
267	W	97.1	Very high	97.7	Very high	120 Å²	120	43.6 Å²	43.6	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-35.1	179.5	62.7	-96.6	0	0	0	111.9	F233 P265 Q270 E271	F233-W267 HydrophobicContact CB-CH2 3.67Å; F233-W267 HydrophobicContact CB-CZ2 3.56Å; F233-W267 HydrophobicContact CD2-CZ2 4.27Å; F233-W267 HydrophobicContact CG-CZ2 4.16Å; P265-W267 VanDerWaalsContact C-N 3.34Å; P265-W267 HydrophobicContact CG-CD2 4.4Å; P265-W267 HydrophobicContact CG-CZ2 3.92Å; P265-W267 PolarHBondContact O-N 2.58Å; W267-Q270 PolarHBondContact O-N 3.13Å; W267-E271 PolarHBondContact O-N 3.38Å; W267-E271 VanDerWaalsContact O-N 3.14Å
268	L	97.3	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-78.6	-31.9	177.7	-171.7	60.7	0	0	0	111.5	F233 A236 L240 F249 V264 P265 D266 Q270 E271 L272	F233-L268 HydrophobicContact CB-CD2 4.33Å; F233-L268 HydrophobicContact CD1-CD2 4.18Å; A236-L268 HydrophobicContact CB-CD1 3.89Å; A236-L268 HydrophobicContact CB-CD2 3.63Å; A236-L268 HydrophobicContact CB-CG 4.32Å; L240-L268 HydrophobicContact CD1-CD1 3.43Å; L240-L268 VanDerWaalsContact CD1-CD1 3.43Å; L240-L268 HydrophobicContact CD1-CG 4.34Å; F249-L268 HydrophobicContact CZ-CD2 3.95Å; F249-L268 HydrophobicContact CZ-CG 4.2Å; V264-L268 HydrophobicContact CG1-CB 3.87Å; V264-L268 HydrophobicContact CG1-CD2 3.91Å; V264-L268 HydrophobicContact CG1-CG 3.85Å; P265-L268 HydrophobicContact CG-CB 3.93Å; P265-L268 WeakPolarHBondContact O-CA 3.36Å; P265-L268 WeakPolarHBondContact O-CB 3.44Å; P265-L268 PolarHBondContact O-N 3.16Å; D266-L268 PolarHBondContact O-N 3.44Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-E271 PolarHBondContact O-N 3.04Å; L268-L272 WeakPolarHBondContact O-CB 3.34Å; L268-L272 PolarHBondContact O-N 3.45Å
269	L	98.6	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-38.9	168.2	-73.2	176.1	0	0	0	111.4	V264 P265 D266 L272 K273 I279 I306 F309 I310	V264-L269 HydrophobicContact CB-CD2 3.98Å; V264-L269 HydrophobicContact CB-CG 4.19Å; V264-L269 HydrophobicContact CG1-CD2 3.74Å; V264-L269 HydrophobicContact CG1-CG 3.8Å; P265-L269 PolarHBondContact O-N 3.35Å; D266-L269 WeakPolarHBondContact O-CB 3.49Å; D266-L269 PolarHBondContact O-N 3.44Å; D266-L269 VanDerWaalsContact O-N 3.16Å; L269-L272 HydrophobicContact CD2-CD2 4.45Å; L269-L272 WeakPolarHBondContact O-CB 3.39Å; L269-L272 PolarHBondContact O-N 2.88Å; L269-K273 PolarHBondContact O-N 3.26Å; L269-I279 HydrophobicContact CD2-CB 4.47Å; L269-I279 HydrophobicContact CD2-CD1 3.78Å; L269-I279 HydrophobicContact CD2-CG2 4.03Å; L269-I306 HydrophobicContact CD1-CG1 4.38Å; L269-F309 HydrophobicContact CB-CD1 4.23Å; L269-F309 HydrophobicContact CB-CE1 4.18Å; L269-F309 HydrophobicContact CD1-CD1 4.34Å; L269-I310 HydrophobicContact CB-CD1 4.18Å; L269-I310 HydrophobicContact CB-CG2 4.12Å; L269-I310 HydrophobicContact CD2-CD1 4.08Å
270	Q	98.5	Very high	97.9	Very high	67 Å²	67	35 Å²	35	31%	0.313	16%	0.161	S	C	.	.	H	α-helix	trans	-65.8	-45.1	175.9	-176.1	56.9	54.5	0	0	111.5	D266 W267 L268 L272 K273 D274	D266-Q270 PolarHBondContact O-N 3.42Å; W267-Q270 PolarHBondContact O-N 3.13Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; Q270-L272 VanDerWaalsContact C-N 3.29Å; Q270-L272 PolarHBondContact O-N 3.2Å; Q270-K273 WeakPolarHBondContact O-CB 3.37Å; Q270-K273 PolarHBondContact O-N 3.46Å; Q270-K273 VanDerWaalsContact O-N 3.16Å; Q270-D274 PolarHBondContact NE2-OD1 2.89Å; Q270-D274 PolarHBondContact NE2-OD2 3.41Å; Q270-D274 PolarHBondContact O-N 2.93Å
271	E	98.4	Very high	98.1	Very high	52 Å²	52	33.4 Å²	33.4	24%	0.243	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-39.7	173.1	-69.7	-179.6	179.4	0	0	112	S237 L240 W267 L268 K273 D274 N275	S237-E271 VanDerWaalsContact CA-OE2 3.25Å; S237-E271 WeakPolarHBondContact CA-OE2 3.2Å; S237-E271 WeakPolarHBondContact CB-OE2 3.27Å; S237-E271 VanDerWaalsContact OG-CD 3.31Å; S237-E271 PolarHBondContact OG-OE1 3.29Å; S237-E271 VanDerWaalsContact OG-OE1 3.13Å; S237-E271 PolarHBondContact OG-OE2 2.97Å; L240-E271 HydrophobicContact CD1-CB 3.82Å; W267-E271 PolarHBondContact O-N 3.38Å; W267-E271 VanDerWaalsContact O-N 3.14Å; L268-E271 PolarHBondContact O-N 3.04Å; E271-K273 VanDerWaalsContact C-N 3.35Å; E271-K273 PolarHBondContact O-N 3.42Å; E271-D274 PolarHBondContact O-N 3.26Å; E271-N275 WeakPolarHBondContact O-CB 3.35Å; E271-N275 PolarHBondContact O-N 3.18Å
272	L	98.8	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-42.5	174.9	-177.4	70.1	0	0	0	111.9	L240 V247 F249 L268 L269 Q270 N275 R276 G277 I279	L240-L272 HydrophobicContact CD2-CB 4.47Å; L240-L272 HydrophobicContact CD2-CD1 4.02Å; V247-L272 HydrophobicContact CG2-CD1 3.86Å; F249-L272 HydrophobicContact CD2-CD1 4.1Å; F249-L272 HydrophobicContact CD2-CD2 3.88Å; F249-L272 HydrophobicContact CE2-CD1 4.01Å; F249-L272 HydrophobicContact CE2-CD2 4.06Å; F249-L272 HydrophobicContact CE2-CG 4.47Å; L268-L272 WeakPolarHBondContact O-CB 3.34Å; L268-L272 PolarHBondContact O-N 3.45Å; L269-L272 HydrophobicContact CD2-CD2 4.45Å; L269-L272 WeakPolarHBondContact O-CB 3.39Å; L269-L272 PolarHBondContact O-N 2.88Å; Q270-L272 VanDerWaalsContact C-N 3.29Å; Q270-L272 PolarHBondContact O-N 3.2Å; L272-N275 PolarHBondContact O-N 2.91Å; L272-R276 PolarHBondContact O-N 3.16Å; L272-R276 VanDerWaalsContact O-N 3.11Å; L272-G277 PolarHBondContact O-N 3.05Å; L272-I279 HydrophobicContact CD2-CB 3.79Å; L272-I279 HydrophobicContact CD2-CG2 4.06Å
273	K	98.3	Very high	98.4	Very high	85 Å²	85	31.2 Å²	31.2	37%	0.37	14%	0.14	S	C	.	.	H	α-helix	trans	-61.4	-44.5	175.6	-178.3	-173.9	-177.3	162.4	0	111.4	L269 Q270 E271 N275 R276 I310	L269-K273 PolarHBondContact O-N 3.26Å; Q270-K273 WeakPolarHBondContact O-CB 3.37Å; Q270-K273 PolarHBondContact O-N 3.46Å; Q270-K273 VanDerWaalsContact O-N 3.16Å; E271-K273 VanDerWaalsContact C-N 3.35Å; E271-K273 PolarHBondContact O-N 3.42Å; K273-N275 VanDerWaalsContact C-N 3.33Å; K273-N275 PolarHBondContact O-N 2.95Å; K273-R276 WeakPolarHBondContact O-CA 3.28Å; K273-R276 PolarHBondContact O-N 3.37Å; K273-I310 HydrophobicContact CB-CB 4.13Å; K273-I310 HydrophobicContact CB-CG2 4.03Å; K273-I310 HydrophobicContact CD-CB 3.88Å; K273-I310 HydrophobicContact CD-CG2 4.01Å; K273-I310 WeakPolarHBondContact CD-O 3.49Å; K273-I310 WeakPolarHBondContact CE-O 3.33Å; K273-I310 HydrophobicContact CG-CB 4.33Å; K273-I310 PolarHBondContact NZ-O 3.24Å; K273-I310 VanDerWaalsContact NZ-O 3.08Å
274	D	98.1	Very high	98.4	Very high	115 Å²	115	33.6 Å²	33.6	62%	0.615	15%	0.149	S	C	*	.	H	α-helix	trans	-66.9	-36.3	-179.6	-64	-22.1	0	0	0	111.5	Q270 E271 R276	Q270-D274 PolarHBondContact NE2-OD1 2.89Å; Q270-D274 PolarHBondContact NE2-OD2 3.41Å; Q270-D274 PolarHBondContact O-N 2.93Å; E271-D274 PolarHBondContact O-N 3.26Å; D274-R276 PolarHBondContact O-N 3.42Å
275	N	98.4	Very high	98.4	Very high	27 Å²	27	33.5 Å²	33.5	14%	0.144	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.4	169.2	175.6	-101.3	0	0	0	113.4	L240 P246 V247 E271 L272 K273 G277	L240-N275 HydrophobicContact CD2-CB 3.54Å; P246-N275 VanDerWaalsContact CA-OD1 3.27Å; P246-N275 WeakPolarHBondContact CA-OD1 3.48Å; V247-N275 PolarHBondContact N-OD1 3.47Å; E271-N275 WeakPolarHBondContact O-CB 3.35Å; E271-N275 PolarHBondContact O-N 3.18Å; L272-N275 PolarHBondContact O-N 2.91Å; K273-N275 VanDerWaalsContact C-N 3.33Å; K273-N275 PolarHBondContact O-N 2.95Å; N275-G277 PolarHBondContact O-N 3.26Å
276	R	98.5	Very high	98.4	Very high	141 Å²	141	34.3 Å²	34.3	53%	0.532	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	25.9	-170.6	-53.3	164.8	52.5	134.6	6.2	113.1	L272 K273 D274 R364 E368	L272-R276 PolarHBondContact O-N 3.16Å; L272-R276 VanDerWaalsContact O-N 3.11Å; K273-R276 WeakPolarHBondContact O-CA 3.28Å; K273-R276 PolarHBondContact O-N 3.37Å; D274-R276 PolarHBondContact O-N 3.42Å; R276-R364 VanDerWaalsContact O-CZ 3.26Å; R276-R364 PolarHBondContact O-NH1 3Å; R276-R364 PolarHBondContact O-NH2 3.04Å; R276-E368 IonicContact CZ-OE1 3.95Å; R276-E368 IonicContact CZ-OE2 3.69Å; R276-E368 IonicContact NE-OE1 3.53Å; R276-E368 PolarHBondContact NE-OE1 2.93Å; R276-E368 IonicContact NE-OE2 3.44Å; R276-E368 PolarHBondContact NE-OE2 3.42Å; R276-E368 IonicContact NH2-OE1 3.74Å; R276-E368 PolarHBondContact NH2-OE1 3.5Å; R276-E368 IonicContact NH2-OE2 3.71Å
277	G	98.8	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.151	C	C	.	.			trans	-75.3	-173.4	178.4	0	0	0	0	0	113.7	V247 L272 N275 S314	V247-G277 CarbonylContact O-C 3.56Å; V247-G277 WeakPolarHBondContact O-CA 3.46Å; L272-G277 PolarHBondContact O-N 3.05Å; N275-G277 PolarHBondContact O-N 3.26Å; G277-S314 PolarHBondContact O-OG 3Å
278	L	98.9	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.7	-173	179.4	64.3	0	0	0	111.6	V247 I248 F249 M280 S314 I315 N361 F362 V365	V247-L278 PolarHBondContact O-N 2.97Å; I248-L278 CarbonylContact C-O 3.26Å; I248-L278 WeakPolarHBondContact CA-O 3.41Å; I248-L278 HydrophobicContact CG2-CB 4.08Å; F249-L278 PolarHBondContact N-O 3.07Å; L278-M280 HydrophobicContact CD2-CE 4.42Å; L278-M280 HydrophobicContact CD2-CG 3.8Å; L278-M280 HydrophobicContact CD2-SD 4.03Å; L278-M280 HydrophobicContact CG-CG 3.8Å; L278-S314 VanDerWaalsContact CD1-C 3.46Å; L278-I315 WeakPolarHBondContact CD1-O 3.37Å; L278-N361 HydrophobicContact CD1-CB 3.74Å; L278-F362 HydrophobicContact CD2-CB 3.99Å; L278-F362 HydrophobicContact CD2-CD2 4.15Å; L278-V365 HydrophobicContact CB-CG2 3.93Å
279	I	98.9	Very high	98.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.3	166	177.7	168.2	0	0	0	109	F249 S252 V264 L269 L272 I306 S314 I315 G316	F249-I279 HydrophobicContact CB-CB 4.49Å; F249-I279 HydrophobicContact CB-CG1 4.27Å; S252-I279 WeakPolarHBondContact O-CD1 3.31Å; S252-I279 VanDerWaalsContact O-CG1 3.24Å; S252-I279 WeakPolarHBondContact O-CG1 3.31Å; V264-I279 HydrophobicContact CB-CD1 3.99Å; V264-I279 HydrophobicContact CG2-CD1 3.64Å; L269-I279 HydrophobicContact CD2-CB 4.47Å; L269-I279 HydrophobicContact CD2-CD1 3.78Å; L269-I279 HydrophobicContact CD2-CG2 4.03Å; L272-I279 HydrophobicContact CD2-CB 3.79Å; L272-I279 HydrophobicContact CD2-CG2 4.06Å; I279-I306 HydrophobicContact CD1-CD1 4.17Å; I279-I306 HydrophobicContact CG2-CD1 4.4Å; I279-I306 HydrophobicContact CG2-CG2 3.97Å; I279-S314 WeakPolarHBondContact CG2-O 3.4Å; I279-S314 PolarHBondContact N-O 2.95Å; I279-I315 CarbonylContact O-C 3.45Å; I279-I315 WeakPolarHBondContact O-CA 3.33Å; I279-G316 PolarHBondContact O-N 3.15Å
280	M	98.9	Very high	98.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.3	178.8	-54.8	179.8	82.9	0	0	107.9	I248 F249 S250 H251 S252 L278 N282 G316 I317 F362	I248-M280 HydrophobicContact CD1-SD 4.29Å; F249-M280 VanDerWaalsContact O-CB 3.31Å; F249-M280 WeakPolarHBondContact O-CB 3.5Å; F249-M280 PolarHBondContact O-N 2.57Å; S250-M280 VanDerWaalsContact O-CB 3.32Å; S250-M280 WeakPolarHBondContact O-CB 3.44Å; H251-M280 CarbonylContact C-O 3.51Å; H251-M280 VanDerWaalsContact CA-O 3.27Å; H251-M280 WeakPolarHBondContact CA-O 3.5Å; S252-M280 PolarHBondContact N-O 3.44Å; L278-M280 HydrophobicContact CD2-CE 4.42Å; L278-M280 HydrophobicContact CD2-CG 3.8Å; L278-M280 HydrophobicContact CD2-SD 4.03Å; L278-M280 HydrophobicContact CG-CG 3.8Å; M280-N282 PolarHBondContact O-N 2.83Å; M280-G316 WeakPolarHBondContact CA-O 3.3Å; M280-I317 VanDerWaalsContact CE-O 3.32Å; M280-I317 WeakPolarHBondContact CE-O 3.43Å; M280-F362 HydrophobicContact CE-CD2 3.65Å; M280-F362 HydrophobicContact CE-CE2 4.24Å; M280-F362 HydrophobicContact CE-CG 4.48Å; M280-F362 HydrophobicContact SD-CD2 4.02Å; M280-F362 HydrophobicContact SD-CE2 4.39Å
281	V	98.9	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.3	-166.3	-177.7	0	0	0	0	110.8	S252 F283 L299 H302 F303 I306 I315 G316 G318	S252-V281 WeakPolarHBondContact O-CA 3.29Å; V281-F283 WeakPolarHBondContact O-CD1 3.33Å; V281-F283 VanDerWaalsContact O-CE1 3.25Å; V281-F283 WeakPolarHBondContact O-CE1 3.29Å; V281-L299 HydrophobicContact CG1-CD1 3.69Å; V281-H302 HydrophobicContact CG1-CB 4.3Å; V281-F303 HydrophobicContact CB-CD2 4.5Å; V281-F303 HydrophobicContact CB-CE1 4.14Å; V281-F303 HydrophobicContact CB-CE2 3.78Å; V281-F303 HydrophobicContact CB-CZ 3.56Å; V281-F303 HydrophobicContact CG1-CD2 4.25Å; V281-F303 HydrophobicContact CG1-CE2 3.74Å; V281-F303 HydrophobicContact CG1-CZ 4.08Å; V281-F303 HydrophobicContact CG2-CD1 4.16Å; V281-F303 HydrophobicContact CG2-CD2 4.39Å; V281-F303 HydrophobicContact CG2-CE1 3.77Å; V281-F303 HydrophobicContact CG2-CE2 4.05Å; V281-F303 HydrophobicContact CG2-CG 4.44Å; V281-F303 HydrophobicContact CG2-CZ 3.72Å; V281-I306 HydrophobicContact CG2-CD1 4.07Å; V281-I315 HydrophobicContact CG2-CG2 4.09Å; V281-G316 PolarHBondContact N-O 3.08Å; V281-G318 CarbonylContact O-C 3.58Å; V281-G318 PolarHBondContact O-N 3.27Å
282	N	98.8	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.			trans	-81.2	142.9	179.6	-177.9	-59.9	0	0	0	111.8	H251 S253 M280 Y284 I288 G318 D320	H251-N282 HydrophobicContact CB-CB 4.18Å; H251-N282 PolarHBondContact CD2-ND2 3.17Å; H251-N282 PolarHBondContact O-ND2 2.94Å; S253-N282 PolarHBondContact OG-N 3.1Å; S253-N282 VanDerWaalsContact OG-N 3.11Å; S253-N282 PolarHBondContact OG-O 2.97Å; S253-N282 VanDerWaalsContact OG-O 3.05Å; M280-N282 PolarHBondContact O-N 2.83Å; N282-Y284 WeakPolarHBondContact OD1-CA 3.05Å; N282-Y284 WeakPolarHBondContact OD1-CB 3.28Å; N282-Y284 PolarHBondContact OD1-N 2.8Å; N282-I288 WeakPolarHBondContact O-CD1 3.4Å; N282-I288 WeakPolarHBondContact O-CG1 3.34Å; N282-G318 VanDerWaalsContact CA-O 3.28Å; N282-G318 WeakPolarHBondContact CA-O 3.17Å; N282-D320 VanDerWaalsContact ND2-CB 3.32Å; N282-D320 WeakPolarHBondContact ND2-CB 3.23Å; N282-D320 PolarHBondContact ND2-OD2 3.32Å
283	F	98.6	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.			trans	-104.7	3.9	-177.8	-54.4	-15.1	0	0	0	114.7	V281 S285 L299 F303 I317 G319 F321 F327 P328 Y337 I340	V281-F283 WeakPolarHBondContact O-CD1 3.33Å; V281-F283 VanDerWaalsContact O-CE1 3.25Å; V281-F283 WeakPolarHBondContact O-CE1 3.29Å; F283-S285 PolarHBondContact O-N 3.47Å; F283-L299 HydrophobicContact CD1-CD1 3.49Å; F283-L299 VanDerWaalsContact CD1-CD1 3.49Å; F283-L299 HydrophobicContact CD1-CD2 3.59Å; F283-L299 HydrophobicContact CD1-CG 4.21Å; F283-L299 HydrophobicContact CE1-CD1 3.86Å; F283-L299 HydrophobicContact CE1-CD2 3.67Å; F283-L299 HydrophobicContact CE1-CG 4.36Å; F283-L299 HydrophobicContact CG-CD1 4.47Å; F283-L299 HydrophobicContact CG-CD2 4.11Å; F283-L299 HydrophobicContact CZ-CD2 4.2Å; F283-F303 HydrophobicContact CE1-CE2 4.36Å; F283-F303 HydrophobicContact CE1-CZ 4.42Å; F283-I317 HydrophobicContact CE1-CG2 4.36Å; F283-I317 HydrophobicContact CE2-CG2 4.18Å; F283-I317 HydrophobicContact CZ-CG2 3.55Å; F283-G319 WeakPolarHBondContact CB-O 3.24Å; F283-G319 VanDerWaalsContact CD2-CA 3.49Å; F283-G319 PolarHBondContact N-O 3.3Å; F283-F321 AromaticContact CD2-CE2 3.8Å; F283-F321 HydrophobicContact CD2-CE2 3.8Å; F283-F321 AromaticContact CD2-CZ 3.93Å; F283-F321 HydrophobicContact CD2-CZ 3.93Å; F283-F321 HydrophobicContact CE2-CE2 4.06Å; F283-F321 HydrophobicContact CE2-CZ 4.45Å; F283-F327 HydrophobicContact CB-CD1 4.05Å; F283-P328 WeakPolarHBondContact O-CD 3.47Å; F283-Y337 HydrophobicContact CE2-CD1 4.17Å; F283-Y337 AromaticContact CE2-CE1 3.75Å; F283-Y337 HydrophobicContact CE2-CE1 3.75Å; F283-Y337 HydrophobicContact CZ-CE1 4.26Å; F283-I340 HydrophobicContact CD2-CD1 4.27Å; F283-I340 HydrophobicContact CE1-CD1 4.13Å; F283-I340 HydrophobicContact CE2-CD1 3.35Å; F283-I340 HydrophobicContact CZ-CD1 3.26Å
284	Y	98.3	Very high	97.8	Very high	50 Å²	50	45.3 Å²	45.3	20%	0.196	21%	0.213	C	C	.	.			trans	-63.2	121.7	177.9	-176.1	-134.4	0	0	0	110.9	N282 P286 F287 I288 T325 S326	N282-Y284 WeakPolarHBondContact OD1-CA 3.05Å; N282-Y284 WeakPolarHBondContact OD1-CB 3.28Å; N282-Y284 PolarHBondContact OD1-N 2.8Å; Y284-P286 HydrophobicContact CD1-CB 4.32Å; Y284-P286 HydrophobicContact CD1-CG 4.22Å; Y284-P286 HydrophobicContact CD2-CG 4.48Å; Y284-P286 HydrophobicContact CE1-CB 3.95Å; Y284-P286 HydrophobicContact CE1-CG 3.69Å; Y284-P286 VanDerWaalsContact CE2-CD 3.45Å; Y284-P286 HydrophobicContact CE2-CG 3.93Å; Y284-F287 AromaticContact CD1-CD1 3.87Å; Y284-F287 HydrophobicContact CD1-CD1 3.87Å; Y284-F287 AromaticContact CD1-CD2 3.77Å; Y284-F287 HydrophobicContact CD1-CD2 3.77Å; Y284-F287 AromaticContact CD1-CE1 3.76Å; Y284-F287 HydrophobicContact CD1-CE1 3.76Å; Y284-F287 AromaticContact CD1-CE2 3.66Å; Y284-F287 HydrophobicContact CD1-CE2 3.66Å; Y284-F287 AromaticContact CD1-CG 3.87Å; Y284-F287 HydrophobicContact CD1-CG 3.87Å; Y284-F287 AromaticContact CD1-CZ 3.62Å; Y284-F287 HydrophobicContact CD1-CZ 3.62Å; Y284-F287 HydrophobicContact CE1-CD1 4.38Å; Y284-F287 AromaticContact CE1-CE1 3.96Å; Y284-F287 HydrophobicContact CE1-CE1 3.96Å; Y284-F287 HydrophobicContact CE1-CE2 4.44Å; Y284-F287 AromaticContact CE1-CZ 3.98Å; Y284-F287 HydrophobicContact CE1-CZ 3.98Å; Y284-F287 HydrophobicContact CG-CD2 4.42Å; Y284-F287 WeakPolarHBondContact O-CA 3.41Å; Y284-F287 PolarHBondContact O-N 3.47Å; Y284-I288 PolarHBondContact O-N 2.97Å; Y284-I288 VanDerWaalsContact O-N 3.16Å; Y284-T325 PolarHBondContact OH-OG1 3.2Å; Y284-S326 VanDerWaalsContact CD2-O 3.28Å; Y284-S326 WeakPolarHBondContact CD2-O 3.39Å
285	S	98.1	Very high	97.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-54.3	-42.7	-168.7	-59.8	0	0	0	0	114.2	F283 F287 I288 S289 Q291 S326 F327	F283-S285 PolarHBondContact O-N 3.47Å; S285-F287 PolarHBondContact O-N 3.06Å; S285-I288 PolarHBondContact O-N 2.69Å; S285-S289 PolarHBondContact O-N 3.45Å; S285-S289 PolarHBondContact O-OG 3.11Å; S285-Q291 CarbonylContact C-O 3.36Å; S285-S326 PolarHBondContact N-O 3.26Å; S285-S326 PolarHBondContact OG-O 3.24Å; S285-F327 WeakPolarHBondContact OG-CA 3.47Å; S285-F327 PolarHBondContact OG-N 3.25Å; S285-F327 PolarHBondContact OG-O 3.4Å
286	P	97.9	Very high	97.8	Very high	28 Å²	28	42.3 Å²	42.3	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-18	175.9	-25	38.5	0	0	0	115.4	C258 Y284 C290 Q291	C258-P286 PolarHBondContact SG-O 3.31Å; Y284-P286 HydrophobicContact CD1-CB 4.32Å; Y284-P286 HydrophobicContact CD1-CG 4.22Å; Y284-P286 HydrophobicContact CD2-CG 4.48Å; Y284-P286 HydrophobicContact CE1-CB 3.95Å; Y284-P286 HydrophobicContact CE1-CG 3.69Å; Y284-P286 VanDerWaalsContact CE2-CD 3.45Å; Y284-P286 HydrophobicContact CE2-CG 3.93Å; P286-C290 WeakPolarHBondContact O-CA 3.25Å; P286-Q291 VanDerWaalsContact CA-O 3.28Å; P286-Q291 WeakPolarHBondContact CA-O 3.32Å
287	F	97.8	Very high	97.8	Very high	27 Å²	27	37.9 Å²	37.9	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-92.5	-16.6	173.1	-58.8	-11.9	0	0	0	112	C258 N260 R262 N263 Y284 S285	C258-F287 WeakPolarHBondContact CB-O 3.4Å; C258-F287 PolarHBondContact SG-O 3.33Å; C258-F287 VanDerWaalsContact SG-O 3.38Å; N260-F287 HydrophobicContact CB-CD1 4.42Å; N260-F287 WeakPolarHBondContact ND2-CD1 3.32Å; R262-F287 HydrophobicContact CB-CD1 4.23Å; R262-F287 HydrophobicContact CB-CD2 4.07Å; R262-F287 HydrophobicContact CB-CE1 3.99Å; R262-F287 HydrophobicContact CB-CE2 3.81Å; R262-F287 HydrophobicContact CB-CG 4.3Å; R262-F287 HydrophobicContact CB-CZ 3.79Å; R262-F287 HydrophobicContact CG-CE1 3.94Å; R262-F287 HydrophobicContact CG-CE2 3.89Å; R262-F287 HydrophobicContact CG-CZ 3.52Å; N263-F287 PolarHBondContact ND2-O 2.87Å; Y284-F287 AromaticContact CD1-CD1 3.87Å; Y284-F287 HydrophobicContact CD1-CD1 3.87Å; Y284-F287 AromaticContact CD1-CD2 3.77Å; Y284-F287 HydrophobicContact CD1-CD2 3.77Å; Y284-F287 AromaticContact CD1-CE1 3.76Å; Y284-F287 HydrophobicContact CD1-CE1 3.76Å; Y284-F287 AromaticContact CD1-CE2 3.66Å; Y284-F287 HydrophobicContact CD1-CE2 3.66Å; Y284-F287 AromaticContact CD1-CG 3.87Å; Y284-F287 HydrophobicContact CD1-CG 3.87Å; Y284-F287 AromaticContact CD1-CZ 3.62Å; Y284-F287 HydrophobicContact CD1-CZ 3.62Å; Y284-F287 HydrophobicContact CE1-CD1 4.38Å; Y284-F287 AromaticContact CE1-CE1 3.96Å; Y284-F287 HydrophobicContact CE1-CE1 3.96Å; Y284-F287 HydrophobicContact CE1-CE2 4.44Å; Y284-F287 AromaticContact CE1-CZ 3.98Å; Y284-F287 HydrophobicContact CE1-CZ 3.98Å; Y284-F287 HydrophobicContact CG-CD2 4.42Å; Y284-F287 WeakPolarHBondContact O-CA 3.41Å; Y284-F287 PolarHBondContact O-N 3.47Å; S285-F287 PolarHBondContact O-N 3.06Å
288	I	98.3	Very high	97.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-92.1	-49.8	178.8	-68.9	-53.5	0	0	0	112.8	N282 Y284 S285 A294 H298 L299 H302	N282-I288 WeakPolarHBondContact O-CD1 3.4Å; N282-I288 WeakPolarHBondContact O-CG1 3.34Å; Y284-I288 PolarHBondContact O-N 2.97Å; Y284-I288 VanDerWaalsContact O-N 3.16Å; S285-I288 PolarHBondContact O-N 2.69Å; I288-A294 HydrophobicContact CB-CB 4.09Å; I288-A294 HydrophobicContact CG2-CB 3.77Å; I288-H298 HydrophobicContact CG2-CB 3.62Å; I288-L299 HydrophobicContact CD1-CD1 3.51Å; I288-L299 HydrophobicContact CG1-CD1 4.1Å; I288-L299 HydrophobicContact CG2-CB 4.25Å; I288-H302 WeakPolarHBondContact CA-NE2 3.48Å; I288-H302 PolarHBondContact O-NE2 3.35Å
289	S	97.2	Very high	97.7	Very high	17 Å²	17	41.4 Å²	41.4	12%	0.119	21%	0.207	C	C	.	.	S	Bend	trans	-107.6	-1.5	-176.3	64.2	0	0	0	0	113.5	S285 Q291 K293	S285-S289 PolarHBondContact O-N 3.45Å; S285-S289 PolarHBondContact O-OG 3.11Å; S289-Q291 WeakPolarHBondContact O-CG 3.47Å; S289-Q291 PolarHBondContact O-N 3.38Å; S289-Q291 PolarHBondContact OG-N 3.05Å; S289-Q291 PolarHBondContact OG-O 3.24Å; S289-K293 WeakPolarHBondContact CB-O 3.37Å; S289-K293 PolarHBondContact OG-O 2.84Å
290	C	96.6	Very high	97.7	Very high	53 Å²	53	41.5 Å²	41.5	36%	0.358	21%	0.207	S	C	.	.	S	Bend	trans	55.4	20.6	-167.6	-85.1	0	0	0	0	112.9	C258 N259 P286	C258-C290 WeakPolarHBondContact CA-SG 3.45Å; C258-C290 HydrophobicContact CB-CB 4.02Å; C258-C290 WeakPolarHBondContact CB-SG 3.48Å; C258-C290 WeakPolarHBondContact SG-CA 3.27Å; C258-C290 WeakPolarHBondContact SG-CB 3.28Å; C258-C290 PolarHBondContact SG-N 3.46Å; C258-C290 CovalentContact SG-SG 2.04Å; C258-C290 PolarHBondContact SG-SG 2.78Å; N259-C290 PolarHBondContact N-SG 2.95Å; N259-C290 PolarHBondContact OD1-SG 2.73Å; N259-C290 VanDerWaalsContact OD1-SG 3.36Å; P286-C290 WeakPolarHBondContact O-CA 3.25Å
291	Q	95.2	Very high	97.7	Very high	136 Å²	136	44 Å²	44	64%	0.636	22%	0.221	S	C	*	.	S	Bend	trans	-134.7	170	179.9	-62	176.8	30.2	0	0	109.7	S285 P286 S289 K293	S285-Q291 CarbonylContact C-O 3.36Å; P286-Q291 VanDerWaalsContact CA-O 3.28Å; P286-Q291 WeakPolarHBondContact CA-O 3.32Å; S289-Q291 WeakPolarHBondContact O-CG 3.47Å; S289-Q291 PolarHBondContact O-N 3.38Å; S289-Q291 PolarHBondContact OG-N 3.05Å; S289-Q291 PolarHBondContact OG-O 3.24Å; Q291-K293 PolarHBondContact O-N 3.02Å
292	K	93.6	Very high	97.7	Very high	184 Å²	184	44 Å²	44	80%	0.8	22%	0.221	S	C	*	.	S	Bend	trans	-64.4	-23.8	179.6	-67.2	-174.1	178.3	-178.2	0	113.9	S326	K292-S326 PolarHBondContact O-OG 3.08Å
293	K	95.8	Very high	97.7	Very high	166 Å²	166	44 Å²	44	72%	0.722	22%	0.221	S	C	*	.			trans	-125.1	140	-176.4	-64.4	-174.3	178.3	-176.1	0	110	S289 Q291	S289-K293 WeakPolarHBondContact CB-O 3.37Å; S289-K293 PolarHBondContact OG-O 2.84Å; Q291-K293 PolarHBondContact O-N 3.02Å
294	A	97.9	Very high	97.7	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.025	24%	0.235	C	C	.	.			trans	-130.6	173	173.7	0	0	0	0	0	110.3	I288 P328 V329	I288-A294 HydrophobicContact CB-CB 4.09Å; I288-A294 HydrophobicContact CG2-CB 3.77Å; A294-P328 HydrophobicContact CB-CB 4.05Å; A294-P328 HydrophobicContact CB-CG 3.87Å; A294-P328 WeakPolarHBondContact O-CA 3.42Å; A294-V329 PolarHBondContact O-N 2.93Å
295	T	98.2	Very high	97.8	Very high	55 Å²	55	47.1 Å²	47.1	34%	0.337	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-131.7	162.8	175	62.9	0	0	0	0	108.4	S297 H298 L299	T295-S297 PolarHBondContact O-N 3.39Å; T295-H298 PolarHBondContact N-ND1 3.22Å; T295-H298 PolarHBondContact O-N 3.33Å; T295-H298 PolarHBondContact OG1-N 3.06Å; T295-H298 PolarHBondContact OG1-ND1 2.98Å; T295-L299 PolarHBondContact O-N 2.92Å
296	V	98.1	Very high	97.8	Very high	25 Å²	25	47 Å²	47	15%	0.152	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-31.4	175	66.9	0	0	0	0	112.4	L299 A300 L331 V339 E343	V296-L299 WeakPolarHBondContact O-CB 3.29Å; V296-L299 PolarHBondContact O-N 3.26Å; V296-A300 WeakPolarHBondContact O-CB 3.44Å; V296-A300 PolarHBondContact O-N 2.91Å; V296-L331 HydrophobicContact CG2-CD1 4.29Å; V296-V339 HydrophobicContact CB-CG1 4.44Å; V296-V339 HydrophobicContact CG1-CG1 4.44Å; V296-V339 HydrophobicContact CG2-CG1 4.17Å; V296-E343 HydrophobicContact CG1-CG 4.38Å; V296-E343 HydrophobicContact CG2-CB 3.86Å; V296-E343 HydrophobicContact CG2-CG 4.1Å
297	S	98.3	Very high	97.8	Very high	48 Å²	48	48.3 Å²	48.3	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-47.7	174.6	-174.6	0	0	0	0	111.7	T295 L299 A300 D301 R347	T295-S297 PolarHBondContact O-N 3.39Å; S297-L299 VanDerWaalsContact C-N 3.26Å; S297-L299 PolarHBondContact O-N 3.03Å; S297-A300 PolarHBondContact O-N 3.41Å; S297-A300 VanDerWaalsContact O-N 3.16Å; S297-D301 PolarHBondContact O-N 3.34Å; S297-D301 VanDerWaalsContact O-OD1 3.08Å; S297-R347 VanDerWaalsContact CA-NH2 3.34Å; S297-R347 PolarHBondContact O-NH2 3.18Å; S297-R347 PolarHBondContact OG-NH2 2.84Å
298	H	98.6	Very high	97.9	Very high	74 Å²	74	50.4 Å²	50.4	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-39.4	176.1	-64.7	124.3	0	0	0	111.7	I288 T295 D301 H302	I288-H298 HydrophobicContact CG2-CB 3.62Å; T295-H298 PolarHBondContact N-ND1 3.22Å; T295-H298 PolarHBondContact O-N 3.33Å; T295-H298 PolarHBondContact OG1-N 3.06Å; T295-H298 PolarHBondContact OG1-ND1 2.98Å; H298-D301 WeakPolarHBondContact O-CB 3.3Å; H298-D301 PolarHBondContact O-N 3.39Å; H298-H302 PolarHBondContact O-CD2 3.16Å
299	L	98.7	Very high	97.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-48.3	175.3	174.4	64.7	0	0	0	111	V281 F283 I288 T295 V296 S297 D301 H302 F303 L331 I340	V281-L299 HydrophobicContact CG1-CD1 3.69Å; F283-L299 HydrophobicContact CD1-CD1 3.49Å; F283-L299 VanDerWaalsContact CD1-CD1 3.49Å; F283-L299 HydrophobicContact CD1-CD2 3.59Å; F283-L299 HydrophobicContact CD1-CG 4.21Å; F283-L299 HydrophobicContact CE1-CD1 3.86Å; F283-L299 HydrophobicContact CE1-CD2 3.67Å; F283-L299 HydrophobicContact CE1-CG 4.36Å; F283-L299 HydrophobicContact CG-CD1 4.47Å; F283-L299 HydrophobicContact CG-CD2 4.11Å; F283-L299 HydrophobicContact CZ-CD2 4.2Å; I288-L299 HydrophobicContact CD1-CD1 3.51Å; I288-L299 HydrophobicContact CG1-CD1 4.1Å; I288-L299 HydrophobicContact CG2-CB 4.25Å; T295-L299 PolarHBondContact O-N 2.92Å; V296-L299 WeakPolarHBondContact O-CB 3.29Å; V296-L299 PolarHBondContact O-N 3.26Å; S297-L299 VanDerWaalsContact C-N 3.26Å; S297-L299 PolarHBondContact O-N 3.03Å; L299-D301 PolarHBondContact O-N 2.78Å; L299-H302 WeakPolarHBondContact O-CB 3.39Å; L299-H302 PolarHBondContact O-N 3.1Å; L299-F303 HydrophobicContact CD1-CD2 4.37Å; L299-F303 HydrophobicContact CD1-CE2 3.88Å; L299-F303 HydrophobicContact CD2-CE2 4.33Å; L299-F303 HydrophobicContact CG-CD2 4.23Å; L299-F303 HydrophobicContact CG-CE2 3.9Å; L299-F303 WeakPolarHBondContact O-CD2 2.86Å; L299-F303 PolarHBondContact O-N 3.34Å; L299-L331 HydrophobicContact CD2-CD1 3.29Å; L299-I340 HydrophobicContact CD2-CD1 3.94Å; L299-I340 HydrophobicContact CD2-CG1 4.16Å; L299-I340 HydrophobicContact CD2-CG2 4.43Å
300	A	98.8	Very high	97.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-26.9	179.6	0	0	0	0	0	112.7	V296 S297 H302 F303 D304 E343 L344 R347	V296-A300 WeakPolarHBondContact O-CB 3.44Å; V296-A300 PolarHBondContact O-N 2.91Å; S297-A300 PolarHBondContact O-N 3.41Å; S297-A300 VanDerWaalsContact O-N 3.16Å; A300-H302 VanDerWaalsContact C-N 3.28Å; A300-H302 PolarHBondContact O-N 3.47Å; A300-F303 PolarHBondContact O-N 3.14Å; A300-F303 VanDerWaalsContact O-N 3.16Å; A300-D304 PolarHBondContact O-N 3.04Å; A300-E343 HydrophobicContact CB-CG 3.73Å; A300-L344 HydrophobicContact CB-CD2 3.84Å; A300-R347 VanDerWaalsContact C-NH1 3.34Å
301	D	98.9	Very high	98	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-34.6	173	-58.3	-21.4	0	0	0	112	I257 S297 H298 L299 Y305 R347	I257-D301 HydrophobicContact CG2-CB 4.29Å; S297-D301 PolarHBondContact O-N 3.34Å; S297-D301 VanDerWaalsContact O-OD1 3.08Å; H298-D301 WeakPolarHBondContact O-CB 3.3Å; H298-D301 PolarHBondContact O-N 3.39Å; L299-D301 PolarHBondContact O-N 2.78Å; D301-Y305 VanDerWaalsContact O-CB 3.24Å; D301-Y305 WeakPolarHBondContact O-CB 3.5Å; D301-Y305 PolarHBondContact O-N 3Å; D301-R347 IonicContact OD1-CZ 2.86Å; D301-R347 IonicContact OD1-NH1 3.05Å; D301-R347 PolarHBondContact OD1-NH1 2.86Å; D301-R347 IonicContact OD1-NH2 3.63Å; D301-R347 PolarHBondContact OD1-NH2 2.89Å
302	H	98.9	Very high	98.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-43.4	172.4	-73.5	-97.6	0	0	0	112	S253 S254 I257 V281 I288 H298 L299 A300 Y305 I306	S253-H302 WeakPolarHBondContact CB-ND1 3.4Å; S254-H302 PolarHBondContact N-ND1 3.25Å; S254-H302 PolarHBondContact O-CE1 3.39Å; S254-H302 PolarHBondContact O-ND1 2.95Å; I257-H302 WeakPolarHBondContact CG2-NE2 3.44Å; V281-H302 HydrophobicContact CG1-CB 4.3Å; I288-H302 WeakPolarHBondContact CA-NE2 3.48Å; I288-H302 PolarHBondContact O-NE2 3.35Å; H298-H302 PolarHBondContact O-CD2 3.16Å; L299-H302 WeakPolarHBondContact O-CB 3.39Å; L299-H302 PolarHBondContact O-N 3.1Å; A300-H302 VanDerWaalsContact C-N 3.28Å; A300-H302 PolarHBondContact O-N 3.47Å; H302-Y305 PolarHBondContact O-N 3.01Å; H302-I306 WeakPolarHBondContact O-CD1 3.28Å; H302-I306 WeakPolarHBondContact O-CG1 3.35Å; H302-I306 PolarHBondContact O-N 3.48Å
303	F	98.9	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-50.2	176.7	-78.6	-89.2	0	0	0	110.9	V281 F283 L299 A300 Y305 I306 K307 I315 I317 I340 L344 W349 V357	V281-F303 HydrophobicContact CB-CD2 4.5Å; V281-F303 HydrophobicContact CB-CE1 4.14Å; V281-F303 HydrophobicContact CB-CE2 3.78Å; V281-F303 HydrophobicContact CB-CZ 3.56Å; V281-F303 HydrophobicContact CG1-CD2 4.25Å; V281-F303 HydrophobicContact CG1-CE2 3.74Å; V281-F303 HydrophobicContact CG1-CZ 4.08Å; V281-F303 HydrophobicContact CG2-CD1 4.16Å; V281-F303 HydrophobicContact CG2-CD2 4.39Å; V281-F303 HydrophobicContact CG2-CE1 3.77Å; V281-F303 HydrophobicContact CG2-CE2 4.05Å; V281-F303 HydrophobicContact CG2-CG 4.44Å; V281-F303 HydrophobicContact CG2-CZ 3.72Å; F283-F303 HydrophobicContact CE1-CE2 4.36Å; F283-F303 HydrophobicContact CE1-CZ 4.42Å; L299-F303 HydrophobicContact CD1-CD2 4.37Å; L299-F303 HydrophobicContact CD1-CE2 3.88Å; L299-F303 HydrophobicContact CD2-CE2 4.33Å; L299-F303 HydrophobicContact CG-CD2 4.23Å; L299-F303 HydrophobicContact CG-CE2 3.9Å; L299-F303 WeakPolarHBondContact O-CD2 2.86Å; L299-F303 PolarHBondContact O-N 3.34Å; A300-F303 PolarHBondContact O-N 3.14Å; A300-F303 VanDerWaalsContact O-N 3.16Å; F303-Y305 VanDerWaalsContact C-N 3.31Å; F303-Y305 PolarHBondContact O-N 3.4Å; F303-I306 PolarHBondContact O-N 2.89Å; F303-K307 WeakPolarHBondContact O-CB 3.49Å; F303-K307 PolarHBondContact O-N 3.48Å; F303-I315 HydrophobicContact CD1-CG2 3.6Å; F303-I315 HydrophobicContact CE1-CG2 3.69Å; F303-I317 HydrophobicContact CE1-CG1 4.39Å; F303-I317 HydrophobicContact CZ-CG1 4.13Å; F303-I340 HydrophobicContact CE2-CG2 4.44Å; F303-L344 HydrophobicContact CB-CD2 3.78Å; F303-L344 HydrophobicContact CD1-CD1 4.26Å; F303-L344 HydrophobicContact CG-CD1 4.27Å; F303-L344 HydrophobicContact CG-CD2 4.22Å; F303-W349 VanDerWaalsContact C-CZ2 3.5Å; F303-W349 HydrophobicContact CB-CH2 4.03Å; F303-W349 HydrophobicContact CB-CZ2 3.7Å; F303-W349 HydrophobicContact CD1-CH2 4.34Å; F303-W349 WeakPolarHBondContact O-CZ2 3.1Å; F303-V357 HydrophobicContact CD1-CG1 4.28Å; F303-V357 HydrophobicContact CE1-CG1 3.69Å
304	D	98.9	Very high	98.5	Very high	55 Å²	55	36.4 Å²	36.4	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-57.2	-46.2	179.2	-78	-18.9	0	0	0	111.2	A300 K307 G308 R347 W349	A300-D304 PolarHBondContact O-N 3.04Å; D304-K307 PolarHBondContact O-N 3.07Å; D304-G308 PolarHBondContact O-N 3.19Å; D304-R347 WeakPolarHBondContact OD2-CD 3.38Å; D304-R347 IonicContact OD2-CZ 3.84Å; D304-R347 IonicContact OD2-NE 2.97Å; D304-R347 IonicContact OD2-NH1 3.63Å; D304-R347 PolarHBondContact OD2-NH1 2.8Å; D304-W349 PolarHBondContact OD1-NE1 3.5Å
305	Y	98.9	Very high	98.5	Very high	59 Å²	59	36.2 Å²	36.2	23%	0.231	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-51.4	-179.9	-174.4	-89	0	0	0	112.2	S254 M256 I257 D266 D301 H302 F303 K307 G308 F309	S254-Y305 VanDerWaalsContact OG-CD1 3.23Å; S254-Y305 WeakPolarHBondContact OG-CD1 3.47Å; M256-Y305 HydrophobicContact CB-CD1 4.29Å; M256-Y305 HydrophobicContact CB-CE1 3.59Å; M256-Y305 HydrophobicContact CB-CE2 3.99Å; M256-Y305 VanDerWaalsContact CB-CZ 3.44Å; M256-Y305 HydrophobicContact CG-CD2 4.42Å; M256-Y305 HydrophobicContact CG-CE1 4.13Å; M256-Y305 HydrophobicContact CG-CE2 3.59Å; M256-Y305 VanDerWaalsContact CG-CZ 3.44Å; M256-Y305 WeakPolarHBondContact CG-OH 3.36Å; I257-Y305 HydrophobicContact CD1-CD2 3.83Å; I257-Y305 HydrophobicContact CD1-CG 3.87Å; I257-Y305 HydrophobicContact CG1-CD1 4.43Å; I257-Y305 HydrophobicContact CG1-CD2 4.35Å; I257-Y305 HydrophobicContact CG1-CG 3.89Å; D266-Y305 WeakPolarHBondContact OD1-CE1 3.07Å; D266-Y305 PolarHBondContact OD1-OH 2.66Å; D266-Y305 PolarHBondContact OD2-OH 3.32Å; D301-Y305 VanDerWaalsContact O-CB 3.24Å; D301-Y305 WeakPolarHBondContact O-CB 3.5Å; D301-Y305 PolarHBondContact O-N 3Å; H302-Y305 PolarHBondContact O-N 3.01Å; F303-Y305 VanDerWaalsContact C-N 3.31Å; F303-Y305 PolarHBondContact O-N 3.4Å; Y305-K307 VanDerWaalsContact C-N 3.28Å; Y305-K307 PolarHBondContact O-N 2.94Å; Y305-G308 PolarHBondContact O-N 3.26Å; Y305-F309 HydrophobicContact CE1-CB 4.37Å; Y305-F309 WeakPolarHBondContact O-CB 3.4Å; Y305-F309 PolarHBondContact O-N 3.16Å
306	I	98.8	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-40.3	-178.7	-61.5	163.1	0	0	0	109.9	L269 I279 V281 H302 F303 F309 I310 G311 I315	L269-I306 HydrophobicContact CD1-CG1 4.38Å; I279-I306 HydrophobicContact CD1-CD1 4.17Å; I279-I306 HydrophobicContact CG2-CD1 4.4Å; I279-I306 HydrophobicContact CG2-CG2 3.97Å; V281-I306 HydrophobicContact CG2-CD1 4.07Å; H302-I306 WeakPolarHBondContact O-CD1 3.28Å; H302-I306 WeakPolarHBondContact O-CG1 3.35Å; H302-I306 PolarHBondContact O-N 3.48Å; F303-I306 PolarHBondContact O-N 2.89Å; I306-F309 PolarHBondContact O-N 3.42Å; I306-I310 HydrophobicContact CG2-CD1 3.77Å; I306-I310 HydrophobicContact CG2-CG1 3.64Å; I306-I310 WeakPolarHBondContact O-CG1 3.46Å; I306-I310 PolarHBondContact O-N 2.88Å; I306-G311 PolarHBondContact O-N 3.1Å; I306-I315 HydrophobicContact CB-CD1 3.88Å; I306-I315 HydrophobicContact CB-CG1 4.27Å; I306-I315 HydrophobicContact CG2-CD1 3.68Å; I306-I315 HydrophobicContact CG2-CG1 3.59Å
307	K	98.7	Very high	98.6	Very high	54 Å²	54	32.8 Å²	32.8	24%	0.235	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-46.4	176	179.3	-176.1	178.2	-176.3	0	111.5	F303 D304 Y305 F309 G311 A312 I315 W349 D353	F303-K307 WeakPolarHBondContact O-CB 3.49Å; F303-K307 PolarHBondContact O-N 3.48Å; D304-K307 PolarHBondContact O-N 3.07Å; Y305-K307 VanDerWaalsContact C-N 3.28Å; Y305-K307 PolarHBondContact O-N 2.94Å; K307-F309 PolarHBondContact O-N 2.87Å; K307-G311 WeakPolarHBondContact O-CA 3.44Å; K307-G311 PolarHBondContact O-N 3.04Å; K307-A312 HydrophobicContact CG-CB 4.27Å; K307-I315 HydrophobicContact CB-CD1 3.84Å; K307-W349 HydrophobicContact CB-CH2 3.62Å; K307-W349 HydrophobicContact CB-CZ2 3.73Å; K307-W349 HydrophobicContact CB-CZ3 4.49Å; K307-W349 HydrophobicContact CD-CD2 4.03Å; K307-W349 HydrophobicContact CD-CE3 4.03Å; K307-W349 HydrophobicContact CD-CH2 3.57Å; K307-W349 HydrophobicContact CD-CZ2 3.51Å; K307-W349 HydrophobicContact CD-CZ3 3.79Å; K307-W349 HydrophobicContact CG-CH2 4.06Å; K307-W349 HydrophobicContact CG-CZ2 4.23Å; K307-D353 WeakPolarHBondContact CE-OD2 3.45Å; K307-D353 IonicContact NZ-OD1 2.78Å; K307-D353 IonicContact NZ-OD2 3.79Å; K307-D353 PolarHBondContact NZ-OD2 2.9Å
308	G	98.6	Very high	98.6	Very high	72 Å²	72	30.5 Å²	30.5	74%	0.742	17%	0.169	S	C	*	.	H	α-helix	trans	-62.9	-31	178	0	0	0	0	0	113	D304 Y305	D304-G308 PolarHBondContact O-N 3.19Å; Y305-G308 PolarHBondContact O-N 3.26Å
309	F	98.5	Very high	98.6	Very high	79 Å²	79	27 Å²	27	35%	0.346	15%	0.153	S	C	.	.	H	α-helix	trans	-88.4	-57.8	-176.2	-171.9	-111.1	0	0	0	113.4	D266 L269 Y305 I306 K307	D266-F309 HydrophobicContact CB-CD1 4.39Å; D266-F309 HydrophobicContact CB-CE1 3.72Å; D266-F309 HydrophobicContact CB-CE2 4.3Å; D266-F309 HydrophobicContact CB-CZ 3.66Å; D266-F309 VanDerWaalsContact O-CE1 3.23Å; D266-F309 WeakPolarHBondContact O-CE1 3.24Å; L269-F309 HydrophobicContact CB-CD1 4.23Å; L269-F309 HydrophobicContact CB-CE1 4.18Å; L269-F309 HydrophobicContact CD1-CD1 4.34Å; Y305-F309 HydrophobicContact CE1-CB 4.37Å; Y305-F309 WeakPolarHBondContact O-CB 3.4Å; Y305-F309 PolarHBondContact O-N 3.16Å; I306-F309 PolarHBondContact O-N 3.42Å; K307-F309 PolarHBondContact O-N 2.87Å
310	I	98.1	Very high	98.5	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-108.4	-11.1	-177.4	55.9	168.6	0	0	0	115	L269 K273 I306	L269-I310 HydrophobicContact CB-CD1 4.18Å; L269-I310 HydrophobicContact CB-CG2 4.12Å; L269-I310 HydrophobicContact CD2-CD1 4.08Å; K273-I310 HydrophobicContact CB-CB 4.13Å; K273-I310 HydrophobicContact CB-CG2 4.03Å; K273-I310 HydrophobicContact CD-CB 3.88Å; K273-I310 HydrophobicContact CD-CG2 4.01Å; K273-I310 WeakPolarHBondContact CD-O 3.49Å; K273-I310 WeakPolarHBondContact CE-O 3.33Å; K273-I310 HydrophobicContact CG-CB 4.33Å; K273-I310 PolarHBondContact NZ-O 3.24Å; K273-I310 VanDerWaalsContact NZ-O 3.08Å; I306-I310 HydrophobicContact CG2-CD1 3.77Å; I306-I310 HydrophobicContact CG2-CG1 3.64Å; I306-I310 WeakPolarHBondContact O-CG1 3.46Å; I306-I310 PolarHBondContact O-N 2.88Å
311	G	97.8	Very high	98.5	Very high	26 Å²	26	27.6 Å²	27.6	27%	0.268	16%	0.156	S	C	.	.			trans	94.9	162.1	-177.3	0	0	0	0	0	113.3	I306 K307 K313	I306-G311 PolarHBondContact O-N 3.1Å; K307-G311 WeakPolarHBondContact O-CA 3.44Å; K307-G311 PolarHBondContact O-N 3.04Å; G311-K313 VanDerWaalsContact C-N 3.3Å; G311-K313 PolarHBondContact O-N 3.14Å
312	A	97.9	Very high	98.5	Very high	9 Å²	9	25.3 Å²	25.3	7%	0.074	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-68.3	-23.7	-174.1	0	0	0	0	0	114.4	K307 S314 I315 W349 D353 N361	K307-A312 HydrophobicContact CG-CB 4.27Å; A312-S314 PolarHBondContact O-N 3.15Å; A312-S314 VanDerWaalsContact O-N 3.08Å; A312-I315 PolarHBondContact O-N 3.29Å; A312-I315 VanDerWaalsContact O-N 3.11Å; A312-W349 HydrophobicContact CB-CZ3 4.43Å; A312-D353 HydrophobicContact CB-CB 4.08Å; A312-D353 VanDerWaalsContact CB-OD1 3.29Å; A312-D353 WeakPolarHBondContact CB-OD1 3.25Å; A312-N361 PolarHBondContact O-ND2 2.83Å
313	K	97.9	Very high	98.3	Very high	136 Å²	136	26.5 Å²	26.5	59%	0.591	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-68.8	-7.6	-173.4	-65.6	-172.8	177.2	-175.4	0	115.7	G311 N361 R364	G311-K313 VanDerWaalsContact C-N 3.3Å; G311-K313 PolarHBondContact O-N 3.14Å; K313-N361 WeakPolarHBondContact CA-OD1 3.17Å; K313-N361 VanDerWaalsContact O-CG 3.31Å; K313-N361 PolarHBondContact O-OD1 3Å; K313-R364 PolarHBondContact O-NH2 2.84Å; K313-R364 VanDerWaalsContact O-NH2 3.11Å
314	S	98.4	Very high	97.8	Very high	7 Å²	7	27 Å²	27	5%	0.049	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-113.9	15.4	178.3	-70.6	0	0	0	0	112.1	G277 L278 I279 A312	G277-S314 PolarHBondContact O-OG 3Å; L278-S314 VanDerWaalsContact CD1-C 3.46Å; I279-S314 WeakPolarHBondContact CG2-O 3.4Å; I279-S314 PolarHBondContact N-O 2.95Å; A312-S314 PolarHBondContact O-N 3.15Å; A312-S314 VanDerWaalsContact O-N 3.08Å
315	I	98.9	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.8	-176.4	-51.8	177	0	0	0	110.4	L278 I279 V281 F303 I306 K307 A312 W349 V357 N361	L278-I315 WeakPolarHBondContact CD1-O 3.37Å; I279-I315 CarbonylContact O-C 3.45Å; I279-I315 WeakPolarHBondContact O-CA 3.33Å; V281-I315 HydrophobicContact CG2-CG2 4.09Å; F303-I315 HydrophobicContact CD1-CG2 3.6Å; F303-I315 HydrophobicContact CE1-CG2 3.69Å; I306-I315 HydrophobicContact CB-CD1 3.88Å; I306-I315 HydrophobicContact CB-CG1 4.27Å; I306-I315 HydrophobicContact CG2-CD1 3.68Å; I306-I315 HydrophobicContact CG2-CG1 3.59Å; K307-I315 HydrophobicContact CB-CD1 3.84Å; A312-I315 PolarHBondContact O-N 3.29Å; A312-I315 VanDerWaalsContact O-N 3.11Å; I315-W349 HydrophobicContact CD1-CH2 4.04Å; I315-V357 HydrophobicContact CB-CG2 3.93Å; I315-V357 HydrophobicContact CG2-CG1 4.47Å; I315-V357 HydrophobicContact CG2-CG2 3.93Å; I315-V357 WeakPolarHBondContact O-CA 3.38Å; I315-N361 PolarHBondContact O-ND2 3.09Å
316	G	98.9	Very high	97.2	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	-168.7	172.9	0	0	0	0	0	111.4	I279 M280 V281	I279-G316 PolarHBondContact O-N 3.15Å; M280-G316 WeakPolarHBondContact CA-O 3.3Å; V281-G316 PolarHBondContact N-O 3.08Å
317	I	98.9	Very high	97.2	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.6	-178	-69.9	170	0	0	0	109.9	V49 D51 G52 M280 F283 F303 Y337 V357 L358	V49-I317 HydrophobicContact CG1-CD1 4.33Å; V49-I317 HydrophobicContact CG1-CG2 4.33Å; D51-I317 WeakPolarHBondContact CA-O 3.15Å; G52-I317 PolarHBondContact N-O 3.37Å; M280-I317 VanDerWaalsContact CE-O 3.32Å; M280-I317 WeakPolarHBondContact CE-O 3.43Å; F283-I317 HydrophobicContact CE1-CG2 4.36Å; F283-I317 HydrophobicContact CE2-CG2 4.18Å; F283-I317 HydrophobicContact CZ-CG2 3.55Å; F303-I317 HydrophobicContact CE1-CG1 4.39Å; F303-I317 HydrophobicContact CZ-CG1 4.13Å; I317-Y337 HydrophobicContact CG2-CD1 4.05Å; I317-Y337 HydrophobicContact CG2-CE1 3.53Å; I317-V357 HydrophobicContact CD1-CG1 4.13Å; I317-V357 HydrophobicContact CG1-CG1 3.97Å; I317-L358 HydrophobicContact CD1-CD2 3.94Å
318	G	98.6	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.179	C	C	.	.			trans	-140	73.2	179.8	0	0	0	0	0	110	S250 H251 V281 N282 D320	S250-G318 VanDerWaalsContact O-CA 3.27Å; S250-G318 WeakPolarHBondContact O-CA 3.08Å; H251-G318 WeakPolarHBondContact CB-O 3.39Å; V281-G318 CarbonylContact O-C 3.58Å; V281-G318 PolarHBondContact O-N 3.27Å; N282-G318 VanDerWaalsContact CA-O 3.28Å; N282-G318 WeakPolarHBondContact CA-O 3.17Å; G318-D320 PolarHBondContact O-N 3.3Å
319	G	98	Very high	97.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.			trans	-62	-24	-158.8	0	0	0	0	0	115.3	D51 F283 F321	D51-G319 PolarHBondContact OD2-N 3.13Å; F283-G319 WeakPolarHBondContact CB-O 3.24Å; F283-G319 VanDerWaalsContact CD2-CA 3.49Å; F283-G319 PolarHBondContact N-O 3.3Å; G319-F321 PolarHBondContact O-N 3.2Å
320	D	98.3	Very high	96.8	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	17%	0.166	C	C	.	.			trans	61.5	31.4	-176.5	-169	13.1	0	0	0	111.5	H53 H251 N282 G318 G323 G324 F327	H53-D320 IonicContact CD2-OD1 3.54Å; H53-D320 WeakPolarHBondContact O-CA 3.29Å; H53-D320 PolarHBondContact O-N 3.01Å; H251-D320 HydrophobicContact CB-CB 4.24Å; H251-D320 IonicContact CD2-OD2 3.97Å; N282-D320 VanDerWaalsContact ND2-CB 3.32Å; N282-D320 WeakPolarHBondContact ND2-CB 3.23Å; N282-D320 PolarHBondContact ND2-OD2 3.32Å; G318-D320 PolarHBondContact O-N 3.3Å; D320-G323 PolarHBondContact O-N 3.04Å; D320-G324 PolarHBondContact O-N 3.39Å; D320-G324 VanDerWaalsContact O-N 3.09Å; D320-F327 WeakPolarHBondContact O-CE1 3.41Å; D320-F327 VanDerWaalsContact O-CZ 3.28Å; D320-F327 WeakPolarHBondContact O-CZ 3.41Å
321	F	98.6	Very high	96.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-63.5	143.6	173.7	-76.6	-66.1	0	0	0	110	D55 A80 F283 G319 G323 F327 L331 D333 V334 Y337	D55-F321 PolarHBondContact N-O 3.34Å; A80-F321 HydrophobicContact CB-CB 4.2Å; A80-F321 HydrophobicContact CB-CD1 3.88Å; A80-F321 HydrophobicContact CB-CG 4.42Å; F283-F321 AromaticContact CD2-CE2 3.8Å; F283-F321 HydrophobicContact CD2-CE2 3.8Å; F283-F321 AromaticContact CD2-CZ 3.93Å; F283-F321 HydrophobicContact CD2-CZ 3.93Å; F283-F321 HydrophobicContact CE2-CE2 4.06Å; F283-F321 HydrophobicContact CE2-CZ 4.45Å; G319-F321 PolarHBondContact O-N 3.2Å; F321-G323 PolarHBondContact O-N 3.06Å; F321-F327 HydrophobicContact CD1-CD1 4.02Å; F321-F327 HydrophobicContact CD1-CD2 4.33Å; F321-F327 AromaticContact CD1-CE1 3.8Å; F321-F327 HydrophobicContact CD1-CE1 3.8Å; F321-F327 HydrophobicContact CD1-CE2 4.15Å; F321-F327 HydrophobicContact CD1-CG 4.3Å; F321-F327 AromaticContact CD1-CZ 3.89Å; F321-F327 HydrophobicContact CD1-CZ 3.89Å; F321-F327 AromaticContact CE1-CD1 3.93Å; F321-F327 HydrophobicContact CE1-CD1 3.93Å; F321-F327 HydrophobicContact CE1-CD2 4.42Å; F321-F327 HydrophobicContact CE1-CE1 4.19Å; F321-F327 HydrophobicContact CE1-CG 4.07Å; F321-F327 HydrophobicContact CG-CE1 4.4Å; F321-L331 WeakPolarHBondContact CE1-O 3.37Å; F321-D333 WeakPolarHBondContact CZ-O 3.24Å; F321-V334 HydrophobicContact CB-CG1 3.91Å; F321-V334 HydrophobicContact CD2-CB 4.49Å; F321-V334 HydrophobicContact CD2-CG1 3.55Å; F321-V334 HydrophobicContact CE2-CG1 4.15Å; F321-V334 HydrophobicContact CG-CG1 3.75Å; F321-Y337 WeakPolarHBondContact CD2-OH 3.46Å; F321-Y337 HydrophobicContact CE2-CE1 4.2Å; F321-Y337 HydrophobicContact CE2-CE2 4.31Å; F321-Y337 AromaticContact CE2-CZ 3.77Å
322	D	98	Very high	96.7	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-10.7	-172.8	-72.1	-54.9	0	0	0	115.8	D55 R59 V79 A80 T81	D55-D322 VanDerWaalsContact CB-C 3.44Å; D55-D322 HydrophobicContact CB-CB 4.16Å; R59-D322 HydrophobicContact CG-CB 3.7Å; R59-D322 VanDerWaalsContact CZ-O 3.22Å; R59-D322 PolarHBondContact NE-O 3.16Å; R59-D322 PolarHBondContact NH2-O 3.36Å; V79-D322 WeakPolarHBondContact CA-OD1 3.48Å; V79-D322 VanDerWaalsContact CB-OD1 3.25Å; V79-D322 WeakPolarHBondContact CB-OD1 3.46Å; A80-D322 PolarHBondContact N-OD1 3.12Å; A80-D322 PolarHBondContact N-OD2 3.49Å; T81-D322 WeakPolarHBondContact CB-OD2 3.41Å; T81-D322 PolarHBondContact N-OD2 3.46Å; T81-D322 PolarHBondContact OG1-OD2 3.37Å
323	G	94.5	Very high	96.7	Very high	25 Å²	25	30.6 Å²	30.6	26%	0.258	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-48.6	171.9	0	0	0	0	0	111.8	D55 D320 F321	D55-G323 VanDerWaalsContact CB-CA 3.49Å; D55-G323 VanDerWaalsContact CB-N 3.25Å; D55-G323 WeakPolarHBondContact OD2-CA 3.23Å; D320-G323 PolarHBondContact O-N 3.04Å; F321-G323 PolarHBondContact O-N 3.06Å
324	G	88.6	Confident	96.7	Very high	9 Å²	9	24.1 Å²	24.1	9%	0.093	15%	0.149	C	C	.	.	S	Bend	trans	-67.3	158.3	174.1	0	0	0	0	0	114.9	D320	D320-G324 PolarHBondContact O-N 3.39Å; D320-G324 VanDerWaalsContact O-N 3.09Å
325	T	90.8	Very high	96.7	Very high	114 Å²	114	24.8 Å²	24.8	70%	0.699	15%	0.154	S	C	*	.	S	Bend	trans	-100.4	-14.2	176.1	59.4	0	0	0	0	114.2	Y284	Y284-T325 PolarHBondContact OH-OG1 3.2Å
326	S	95.1	Very high	96.7	Very high	37 Å²	37	27.9 Å²	27.9	26%	0.259	17%	0.167	S	C	.	.			trans	-152.8	137.7	177	63.7	0	0	0	0	111.9	Y284 S285 K292	Y284-S326 VanDerWaalsContact CD2-O 3.28Å; Y284-S326 WeakPolarHBondContact CD2-O 3.39Å; S285-S326 PolarHBondContact N-O 3.26Å; S285-S326 PolarHBondContact OG-O 3.24Å; K292-S326 PolarHBondContact O-OG 3.08Å
327	F	97.3	Very high	96.7	Very high	39 Å²	39	27.8 Å²	27.8	17%	0.171	17%	0.166	C	C	.	.			trans	-120	157.7	-179.7	-60.1	-83	0	0	0	110.5	F283 S285 D320 F321 L331	F283-F327 HydrophobicContact CB-CD1 4.05Å; S285-F327 WeakPolarHBondContact OG-CA 3.47Å; S285-F327 PolarHBondContact OG-N 3.25Å; S285-F327 PolarHBondContact OG-O 3.4Å; D320-F327 WeakPolarHBondContact O-CE1 3.41Å; D320-F327 VanDerWaalsContact O-CZ 3.28Å; D320-F327 WeakPolarHBondContact O-CZ 3.41Å; F321-F327 HydrophobicContact CD1-CD1 4.02Å; F321-F327 HydrophobicContact CD1-CD2 4.33Å; F321-F327 AromaticContact CD1-CE1 3.8Å; F321-F327 HydrophobicContact CD1-CE1 3.8Å; F321-F327 HydrophobicContact CD1-CE2 4.15Å; F321-F327 HydrophobicContact CD1-CG 4.3Å; F321-F327 AromaticContact CD1-CZ 3.89Å; F321-F327 HydrophobicContact CD1-CZ 3.89Å; F321-F327 AromaticContact CE1-CD1 3.93Å; F321-F327 HydrophobicContact CE1-CD1 3.93Å; F321-F327 HydrophobicContact CE1-CD2 4.42Å; F321-F327 HydrophobicContact CE1-CE1 4.19Å; F321-F327 HydrophobicContact CE1-CG 4.07Å; F321-F327 HydrophobicContact CG-CE1 4.4Å; F327-L331 WeakPolarHBondContact CB-O 3.17Å
328	P	98	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.169	C	C	.	.			trans	-51.3	144.6	176.8	-27.4	27.5	0	0	0	112.4	F283 A294 G330 L331	F283-P328 WeakPolarHBondContact O-CD 3.47Å; A294-P328 HydrophobicContact CB-CB 4.05Å; A294-P328 HydrophobicContact CB-CG 3.87Å; A294-P328 WeakPolarHBondContact O-CA 3.42Å; P328-G330 PolarHBondContact O-N 3.2Å; P328-L331 HydrophobicContact CB-CB 4.33Å; P328-L331 HydrophobicContact CB-CD1 4.07Å; P328-L331 HydrophobicContact CB-CG 4.41Å; P328-L331 HydrophobicContact CG-CD1 4.14Å; P328-L331 WeakPolarHBondContact O-CA 3.18Å; P328-L331 PolarHBondContact O-N 3.41Å
329	V	97.4	Very high	96.7	Very high	97 Å²	97	30.3 Å²	30.3	59%	0.588	18%	0.182	S	C	*	.	B	Isolated β-bridge	trans	-57.8	126.5	174.3	179.4	0	0	0	0	109.4	A294	A294-V329 PolarHBondContact O-N 2.93Å
330	G	93.4	Very high	96.7	Very high	24 Å²	24	30.5 Å²	30.5	25%	0.247	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-3.3	-173.3	0	0	0	0	0	115	P328 E332 K336	P328-G330 PolarHBondContact O-N 3.2Å; G330-E332 VanDerWaalsContact C-OE2 3.26Å; G330-E332 WeakPolarHBondContact CA-OE1 3.12Å; G330-E332 PolarHBondContact N-OE1 3.4Å; G330-K336 WeakPolarHBondContact O-CB 3.48Å; G330-K336 WeakPolarHBondContact O-CG 3.36Å
331	L	96.6	Very high	96.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.181	C	C	.	.			trans	-125	44.1	178.8	-60.6	-179.1	0	0	0	111.9	V296 L299 F321 F327 P328 D333 K336 V339 I340	V296-L331 HydrophobicContact CG2-CD1 4.29Å; L299-L331 HydrophobicContact CD2-CD1 3.29Å; F321-L331 WeakPolarHBondContact CE1-O 3.37Å; F327-L331 WeakPolarHBondContact CB-O 3.17Å; P328-L331 HydrophobicContact CB-CB 4.33Å; P328-L331 HydrophobicContact CB-CD1 4.07Å; P328-L331 HydrophobicContact CB-CG 4.41Å; P328-L331 HydrophobicContact CG-CD1 4.14Å; P328-L331 WeakPolarHBondContact O-CA 3.18Å; P328-L331 PolarHBondContact O-N 3.41Å; L331-D333 VanDerWaalsContact C-N 3.26Å; L331-D333 PolarHBondContact O-N 3.07Å; L331-K336 HydrophobicContact CD2-CB 3.74Å; L331-K336 WeakPolarHBondContact CD2-O 3.13Å; L331-V339 HydrophobicContact CD2-CB 4.05Å; L331-V339 HydrophobicContact CD2-CG1 4.44Å; L331-I340 HydrophobicContact CD1-CD1 4.08Å; L331-I340 HydrophobicContact CD1-CG1 3.9Å; L331-I340 HydrophobicContact CD2-CD1 3.99Å; L331-I340 HydrophobicContact CD2-CG1 3.46Å; L331-I340 VanDerWaalsContact CD2-CG1 3.46Å; L331-I340 HydrophobicContact CG-CG1 4.37Å
332	E	96.3	Very high	96.6	Very high	98 Å²	98	32.4 Å²	32.4	46%	0.458	19%	0.192	S	C	.	.	S	Bend	trans	-68.7	-22.9	-172.2	-62.2	76.5	-164.8	0	0	114	G330	G330-E332 VanDerWaalsContact C-OE2 3.26Å; G330-E332 WeakPolarHBondContact CA-OE1 3.12Å; G330-E332 PolarHBondContact N-OE1 3.4Å
333	D	98.3	Very high	96.7	Very high	26 Å²	26	33.5 Å²	33.5	14%	0.139	20%	0.197	C	C	.	.	S	Bend	trans	-157.4	175.3	-175.7	62.9	44.2	0	0	0	112.8	A80 R85 F321 L331 S335 K336	A80-D333 HydrophobicContact CB-CB 4.29Å; A80-D333 VanDerWaalsContact O-CB 3.28Å; A80-D333 WeakPolarHBondContact O-CB 3.4Å; R85-D333 VanDerWaalsContact CD-CG 3.48Å; R85-D333 WeakPolarHBondContact CD-OD2 3.48Å; R85-D333 IonicContact NH1-OD2 2.74Å; F321-D333 WeakPolarHBondContact CZ-O 3.24Å; L331-D333 VanDerWaalsContact C-N 3.26Å; L331-D333 PolarHBondContact O-N 3.07Å; D333-S335 PolarHBondContact O-N 3.21Å; D333-S335 WeakPolarHBondContact OD1-CA 3.41Å; D333-S335 WeakPolarHBondContact OD1-CB 3.2Å; D333-S335 PolarHBondContact OD1-N 3.1Å; D333-S335 PolarHBondContact OD1-OG 3.47Å; D333-K336 WeakPolarHBondContact O-CB 3.37Å; D333-K336 WeakPolarHBondContact O-CG 3.44Å; D333-K336 PolarHBondContact O-N 3.07Å; D333-K336 VanDerWaalsContact O-N 3.08Å
334	V	98.6	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-64.2	-7	-178.4	-59.4	0	0	0	0	114.1	A80 T81 R85 L86 G89 F321 K336 Y337	A80-V334 WeakPolarHBondContact O-CG2 3.48Å; A80-V334 PolarHBondContact O-N 2.66Å; T81-V334 HydrophobicContact CG2-CG1 4.11Å; T81-V334 HydrophobicContact CG2-CG2 4.16Å; T81-V334 WeakPolarHBondContact OG1-CG1 3.4Å; R85-V334 HydrophobicContact CB-CG2 3.51Å; L86-V334 HydrophobicContact CD2-CB 4.05Å; L86-V334 HydrophobicContact CD2-CG1 4.31Å; L86-V334 HydrophobicContact CD2-CG2 3.86Å; L86-V334 HydrophobicContact CG-CG2 3.96Å; G89-V334 WeakPolarHBondContact CA-O 3.27Å; F321-V334 HydrophobicContact CB-CG1 3.91Å; F321-V334 HydrophobicContact CD2-CB 4.49Å; F321-V334 HydrophobicContact CD2-CG1 3.55Å; F321-V334 HydrophobicContact CE2-CG1 4.15Å; F321-V334 HydrophobicContact CG-CG1 3.75Å; V334-K336 PolarHBondContact O-N 3.42Å; V334-Y337 HydrophobicContact CB-CE2 3.96Å; V334-Y337 HydrophobicContact CG1-CE2 4.47Å; V334-Y337 WeakPolarHBondContact O-CD2 3.46Å; V334-Y337 WeakPolarHBondContact O-CE2 3.2Å
335	S	98.6	Very high	97.3	Very high	22 Å²	22	32.3 Å²	32.3	15%	0.154	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-76.9	-8.2	172.7	76.4	0	0	0	0	113.5	R85 D333 P338	R85-S335 VanDerWaalsContact O-CA 3.31Å; R85-S335 WeakPolarHBondContact O-CA 3.02Å; D333-S335 PolarHBondContact O-N 3.21Å; D333-S335 WeakPolarHBondContact OD1-CA 3.41Å; D333-S335 WeakPolarHBondContact OD1-CB 3.2Å; D333-S335 PolarHBondContact OD1-N 3.1Å; D333-S335 PolarHBondContact OD1-OG 3.47Å; S335-P338 WeakPolarHBondContact O-CD 3.37Å
336	K	98.4	Very high	97.6	Very high	64 Å²	64	32.1 Å²	32.1	28%	0.278	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-98.3	1.8	-166.1	-53.6	-55.8	-178.4	-155.5	0	115.7	G330 L331 D333 V334 P338 V339	G330-K336 WeakPolarHBondContact O-CB 3.48Å; G330-K336 WeakPolarHBondContact O-CG 3.36Å; L331-K336 HydrophobicContact CD2-CB 3.74Å; L331-K336 WeakPolarHBondContact CD2-O 3.13Å; D333-K336 WeakPolarHBondContact O-CB 3.37Å; D333-K336 WeakPolarHBondContact O-CG 3.44Å; D333-K336 PolarHBondContact O-N 3.07Å; D333-K336 VanDerWaalsContact O-N 3.08Å; V334-K336 PolarHBondContact O-N 3.42Å; K336-P338 VanDerWaalsContact C-N 3.27Å; K336-P338 VanDerWaalsContact O-N 3.16Å; K336-V339 HydrophobicContact CB-CG2 4.36Å; K336-V339 VanDerWaalsContact O-CB 3.25Å; K336-V339 WeakPolarHBondContact O-CB 3.18Å; K336-V339 WeakPolarHBondContact O-CG2 3.35Å; K336-V339 PolarHBondContact O-N 3.05Å
337	Y	98.6	Very high	97.8	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-51.5	-35.4	174	-61.3	-79.6	0	0	0	114.7	V49 D51 V91 F283 I317 F321 V334 V339 I340 V341	V49-Y337 HydrophobicContact CG1-CD1 4.08Å; V49-Y337 HydrophobicContact CG1-CE1 4.09Å; V49-Y337 HydrophobicContact CG1-CG 4.4Å; V49-Y337 HydrophobicContact CG2-CD1 4.26Å; V49-Y337 HydrophobicContact CG2-CD2 4.41Å; V49-Y337 HydrophobicContact CG2-CG 3.94Å; D51-Y337 PolarHBondContact OD2-OH 3.45Å; V91-Y337 HydrophobicContact CG2-CD2 3.62Å; V91-Y337 HydrophobicContact CG2-CE2 3.34Å; F283-Y337 HydrophobicContact CE2-CD1 4.17Å; F283-Y337 AromaticContact CE2-CE1 3.75Å; F283-Y337 HydrophobicContact CE2-CE1 3.75Å; F283-Y337 HydrophobicContact CZ-CE1 4.26Å; I317-Y337 HydrophobicContact CG2-CD1 4.05Å; I317-Y337 HydrophobicContact CG2-CE1 3.53Å; F321-Y337 WeakPolarHBondContact CD2-OH 3.46Å; F321-Y337 HydrophobicContact CE2-CE1 4.2Å; F321-Y337 HydrophobicContact CE2-CE2 4.31Å; F321-Y337 AromaticContact CE2-CZ 3.77Å; V334-Y337 HydrophobicContact CB-CE2 3.96Å; V334-Y337 HydrophobicContact CG1-CE2 4.47Å; V334-Y337 WeakPolarHBondContact O-CD2 3.46Å; V334-Y337 WeakPolarHBondContact O-CE2 3.2Å; Y337-V339 PolarHBondContact O-N 3.49Å; Y337-V339 VanDerWaalsContact O-N 3.16Å; Y337-I340 HydrophobicContact CD1-CD1 4.1Å; Y337-I340 WeakPolarHBondContact O-CB 3.42Å; Y337-I340 PolarHBondContact O-N 2.66Å; Y337-V341 PolarHBondContact O-N 3.18Å
338	P	98.6	Very high	97.8	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.078	20%	0.197	C	C	.	.	H	α-helix	trans	-55.2	-30.7	172.2	-25.9	33.1	0	0	0	114.6	L44 S335 K336 I340 Q342	L44-P338 HydrophobicContact CD1-CB 3.86Å; L44-P338 HydrophobicContact CD1-CG 3.63Å; S335-P338 WeakPolarHBondContact O-CD 3.37Å; K336-P338 VanDerWaalsContact C-N 3.27Å; K336-P338 VanDerWaalsContact O-N 3.16Å; P338-I340 VanDerWaalsContact C-N 3.34Å; P338-Q342 VanDerWaalsContact O-CB 3.27Å; P338-Q342 WeakPolarHBondContact O-CB 3.41Å; P338-Q342 PolarHBondContact O-N 3.16Å
339	V	98.1	Very high	97.8	Very high	45 Å²	45	38.1 Å²	38.1	27%	0.273	20%	0.198	S	C	.	.	H	α-helix	trans	-68	-36.6	178.2	-174.7	0	0	0	0	110.7	V296 L331 K336 Y337 E343	V296-V339 HydrophobicContact CB-CG1 4.44Å; V296-V339 HydrophobicContact CG1-CG1 4.44Å; V296-V339 HydrophobicContact CG2-CG1 4.17Å; L331-V339 HydrophobicContact CD2-CB 4.05Å; L331-V339 HydrophobicContact CD2-CG1 4.44Å; K336-V339 HydrophobicContact CB-CG2 4.36Å; K336-V339 VanDerWaalsContact O-CB 3.25Å; K336-V339 WeakPolarHBondContact O-CB 3.18Å; K336-V339 WeakPolarHBondContact O-CG2 3.35Å; K336-V339 PolarHBondContact O-N 3.05Å; Y337-V339 PolarHBondContact O-N 3.49Å; Y337-V339 VanDerWaalsContact O-N 3.16Å; V339-E343 WeakPolarHBondContact O-CB 3.48Å; V339-E343 PolarHBondContact O-N 2.65Å
340	I	97.9	Very high	97.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-50.6	176.6	-51.5	176.6	0	0	0	109.7	F283 L299 F303 L331 Y337 P338 Q342 E343 L344	F283-I340 HydrophobicContact CD2-CD1 4.27Å; F283-I340 HydrophobicContact CE1-CD1 4.13Å; F283-I340 HydrophobicContact CE2-CD1 3.35Å; F283-I340 HydrophobicContact CZ-CD1 3.26Å; L299-I340 HydrophobicContact CD2-CD1 3.94Å; L299-I340 HydrophobicContact CD2-CG1 4.16Å; L299-I340 HydrophobicContact CD2-CG2 4.43Å; F303-I340 HydrophobicContact CE2-CG2 4.44Å; L331-I340 HydrophobicContact CD1-CD1 4.08Å; L331-I340 HydrophobicContact CD1-CG1 3.9Å; L331-I340 HydrophobicContact CD2-CD1 3.99Å; L331-I340 HydrophobicContact CD2-CG1 3.46Å; L331-I340 VanDerWaalsContact CD2-CG1 3.46Å; L331-I340 HydrophobicContact CG-CG1 4.37Å; Y337-I340 HydrophobicContact CD1-CD1 4.1Å; Y337-I340 WeakPolarHBondContact O-CB 3.42Å; Y337-I340 PolarHBondContact O-N 2.66Å; P338-I340 VanDerWaalsContact C-N 3.34Å; I340-Q342 VanDerWaalsContact C-N 3.28Å; I340-Q342 PolarHBondContact O-N 3.32Å; I340-E343 PolarHBondContact O-N 2.91Å; I340-E343 VanDerWaalsContact O-N 3.08Å; I340-L344 HydrophobicContact CG2-CD1 4.08Å; I340-L344 HydrophobicContact CG2-CG 4.4Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; I340-L344 PolarHBondContact O-N 2.85Å
341	V	98.4	Very high	98	Very high	4 Å²	4	40 Å²	40	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-42.7	179.4	180	0	0	0	0	110.5	A40 L43 L44 Y337 E343 L344 L345 L354 L358	A40-V341 HydrophobicContact CB-CB 3.94Å; A40-V341 HydrophobicContact CB-CG1 3.73Å; L43-V341 HydrophobicContact CD2-CG1 3.98Å; L44-V341 HydrophobicContact CD1-CG2 4.08Å; L44-V341 HydrophobicContact CD2-CG2 4Å; L44-V341 HydrophobicContact CG-CG2 4.01Å; Y337-V341 PolarHBondContact O-N 3.18Å; V341-E343 VanDerWaalsContact C-N 3.34Å; V341-E343 PolarHBondContact O-N 3.24Å; V341-L344 PolarHBondContact O-N 3.22Å; V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 HydrophobicContact CG1-CG 4.38Å; V341-L345 WeakPolarHBondContact O-CB 3.28Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.43Å; V341-L345 PolarHBondContact O-N 3.24Å; V341-L354 HydrophobicContact CG1-CD1 4.29Å; V341-L358 HydrophobicContact CG2-CD1 4.34Å; V341-L358 HydrophobicContact CG2-CD2 3.92Å
342	Q	98.2	Very high	98.1	Very high	51 Å²	51	46.6 Å²	46.6	24%	0.238	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-43	175.1	-175.1	-173.9	-4.7	0	0	112.1	E36 A40 P338 I340 K346	E36-Q342 HydrophobicContact CB-CG 3.85Å; A40-Q342 HydrophobicContact CB-CB 4.1Å; P338-Q342 VanDerWaalsContact O-CB 3.27Å; P338-Q342 WeakPolarHBondContact O-CB 3.41Å; P338-Q342 PolarHBondContact O-N 3.16Å; I340-Q342 VanDerWaalsContact C-N 3.28Å; I340-Q342 PolarHBondContact O-N 3.32Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 3.27Å; Q342-K346 VanDerWaalsContact O-N 3.15Å
343	E	98.3	Very high	98.2	Very high	30 Å²	30	43.3 Å²	43.3	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-42.7	179	-176.9	58.9	-161.1	0	0	112.1	V296 A300 V339 I340 V341 K346 R347	V296-E343 HydrophobicContact CG1-CG 4.38Å; V296-E343 HydrophobicContact CG2-CB 3.86Å; V296-E343 HydrophobicContact CG2-CG 4.1Å; A300-E343 HydrophobicContact CB-CG 3.73Å; V339-E343 WeakPolarHBondContact O-CB 3.48Å; V339-E343 PolarHBondContact O-N 2.65Å; I340-E343 PolarHBondContact O-N 2.91Å; I340-E343 VanDerWaalsContact O-N 3.08Å; V341-E343 VanDerWaalsContact C-N 3.34Å; V341-E343 PolarHBondContact O-N 3.24Å; E343-K346 WeakPolarHBondContact O-CB 3.36Å; E343-K346 PolarHBondContact O-N 3.29Å; E343-K346 IonicContact OE2-NZ 3.37Å; E343-R347 WeakPolarHBondContact O-CG 3.4Å; E343-R347 PolarHBondContact O-N 2.98Å; E343-R347 IonicContact OE1-CZ 3.66Å; E343-R347 IonicContact OE1-NE 3.37Å; E343-R347 PolarHBondContact OE1-NE 3.42Å; E343-R347 IonicContact OE1-NH2 3.59Å; E343-R347 PolarHBondContact OE1-NH2 3.14Å
344	L	98.4	Very high	98.2	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-36.7	177.6	-63.9	177.8	0	0	0	112.2	A300 F303 I340 V341 K346 R347 N348 W349 L354	A300-L344 HydrophobicContact CB-CD2 3.84Å; F303-L344 HydrophobicContact CB-CD2 3.78Å; F303-L344 HydrophobicContact CD1-CD1 4.26Å; F303-L344 HydrophobicContact CG-CD1 4.27Å; F303-L344 HydrophobicContact CG-CD2 4.22Å; I340-L344 HydrophobicContact CG2-CD1 4.08Å; I340-L344 HydrophobicContact CG2-CG 4.4Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; I340-L344 PolarHBondContact O-N 2.85Å; V341-L344 PolarHBondContact O-N 3.22Å; L344-K346 PolarHBondContact O-N 3.45Å; L344-R347 CarbonylContact O-C 3.56Å; L344-R347 WeakPolarHBondContact O-CA 3.15Å; L344-R347 WeakPolarHBondContact O-CB 3.19Å; L344-R347 PolarHBondContact O-N 2.8Å; L344-N348 PolarHBondContact O-N 3.46Å; L344-W349 HydrophobicContact CB-CB 4.13Å; L344-W349 HydrophobicContact CB-CD2 4.27Å; L344-W349 HydrophobicContact CB-CG 3.83Å; L344-W349 HydrophobicContact CD2-CD2 4.37Å; L344-W349 HydrophobicContact CD2-CG 4.49Å; L344-W349 HydrophobicContact CD2-CZ2 4.33Å; L344-W349 WeakPolarHBondContact O-CB 3.41Å; L344-W349 PolarHBondContact O-N 2.9Å; L344-L354 HydrophobicContact CB-CD2 3.75Å; L344-L354 HydrophobicContact CD1-CD2 3.63Å; L344-L354 HydrophobicContact CG-CD2 4.35Å
345	L	98.1	Very high	98.2	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-40.5	173.4	-73.4	169.6	0	0	0	112.2	E36 R39 A40 V341 R347 N348 L354	E36-L345 WeakPolarHBondContact OE2-CB 3.33Å; R39-L345 HydrophobicContact CB-CD1 3.84Å; A40-L345 HydrophobicContact CB-CD1 4.16Å; V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 HydrophobicContact CG1-CG 4.38Å; V341-L345 WeakPolarHBondContact O-CB 3.28Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.43Å; V341-L345 PolarHBondContact O-N 3.24Å; L345-R347 PolarHBondContact O-N 2.93Å; L345-N348 PolarHBondContact O-N 3.49Å; L345-L354 HydrophobicContact CD2-CD1 3.41Å; L345-L354 VanDerWaalsContact CD2-CD1 3.41Å; L345-L354 HydrophobicContact CG-CD1 3.65Å
346	K	97.6	Very high	98.2	Very high	110 Å²	110	42.2 Å²	42.2	48%	0.478	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-28.1	172.5	-70.4	172.2	-169.8	164.9	0	112.7	E36 Q342 E343 L344 N348	E36-K346 HydrophobicContact CG-CG 4.11Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 3.27Å; Q342-K346 VanDerWaalsContact O-N 3.15Å; E343-K346 WeakPolarHBondContact O-CB 3.36Å; E343-K346 PolarHBondContact O-N 3.29Å; E343-K346 IonicContact OE2-NZ 3.37Å; L344-K346 PolarHBondContact O-N 3.45Å; K346-N348 PolarHBondContact O-N 3.38Å
347	R	98	Very high	98.2	Very high	54 Å²	54	39.4 Å²	39.4	20%	0.204	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	15.8	175.7	-66.2	165.4	174.7	-123	4.1	112.8	S297 A300 D301 D304 E343 L344 L345 W349	S297-R347 VanDerWaalsContact CA-NH2 3.34Å; S297-R347 PolarHBondContact O-NH2 3.18Å; S297-R347 PolarHBondContact OG-NH2 2.84Å; A300-R347 VanDerWaalsContact C-NH1 3.34Å; D301-R347 IonicContact OD1-CZ 2.86Å; D301-R347 IonicContact OD1-NH1 3.05Å; D301-R347 PolarHBondContact OD1-NH1 2.86Å; D301-R347 IonicContact OD1-NH2 3.63Å; D301-R347 PolarHBondContact OD1-NH2 2.89Å; D304-R347 WeakPolarHBondContact OD2-CD 3.38Å; D304-R347 IonicContact OD2-CZ 3.84Å; D304-R347 IonicContact OD2-NE 2.97Å; D304-R347 IonicContact OD2-NH1 3.63Å; D304-R347 PolarHBondContact OD2-NH1 2.8Å; E343-R347 WeakPolarHBondContact O-CG 3.4Å; E343-R347 PolarHBondContact O-N 2.98Å; E343-R347 IonicContact OE1-CZ 3.66Å; E343-R347 IonicContact OE1-NE 3.37Å; E343-R347 PolarHBondContact OE1-NE 3.42Å; E343-R347 IonicContact OE1-NH2 3.59Å; E343-R347 PolarHBondContact OE1-NH2 3.14Å; L344-R347 CarbonylContact O-C 3.56Å; L344-R347 WeakPolarHBondContact O-CA 3.15Å; L344-R347 WeakPolarHBondContact O-CB 3.19Å; L344-R347 PolarHBondContact O-N 2.8Å; L345-R347 PolarHBondContact O-N 2.93Å; R347-W349 VanDerWaalsContact C-N 3.3Å; R347-W349 PolarHBondContact O-N 3.1Å
348	N	97.3	Very high	98.2	Very high	142 Å²	142	39.4 Å²	39.4	76%	0.759	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	30.6	178	-55.1	-56.1	0	0	0	114.3	L344 L345 K346	L344-N348 PolarHBondContact O-N 3.46Å; L345-N348 PolarHBondContact O-N 3.49Å; K346-N348 PolarHBondContact O-N 3.38Å
349	W	98.4	Very high	98.2	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.027	19%	0.194	C	C	.	.			trans	-64.4	136.8	164.2	-76.1	60.4	0	0	0	110.3	F303 D304 K307 A312 I315 L344 R347 D353 L354 V357	F303-W349 VanDerWaalsContact C-CZ2 3.5Å; F303-W349 HydrophobicContact CB-CH2 4.03Å; F303-W349 HydrophobicContact CB-CZ2 3.7Å; F303-W349 HydrophobicContact CD1-CH2 4.34Å; F303-W349 WeakPolarHBondContact O-CZ2 3.1Å; D304-W349 PolarHBondContact OD1-NE1 3.5Å; K307-W349 HydrophobicContact CB-CH2 3.62Å; K307-W349 HydrophobicContact CB-CZ2 3.73Å; K307-W349 HydrophobicContact CB-CZ3 4.49Å; K307-W349 HydrophobicContact CD-CD2 4.03Å; K307-W349 HydrophobicContact CD-CE3 4.03Å; K307-W349 HydrophobicContact CD-CH2 3.57Å; K307-W349 HydrophobicContact CD-CZ2 3.51Å; K307-W349 HydrophobicContact CD-CZ3 3.79Å; K307-W349 HydrophobicContact CG-CH2 4.06Å; K307-W349 HydrophobicContact CG-CZ2 4.23Å; A312-W349 HydrophobicContact CB-CZ3 4.43Å; I315-W349 HydrophobicContact CD1-CH2 4.04Å; L344-W349 HydrophobicContact CB-CB 4.13Å; L344-W349 HydrophobicContact CB-CD2 4.27Å; L344-W349 HydrophobicContact CB-CG 3.83Å; L344-W349 HydrophobicContact CD2-CD2 4.37Å; L344-W349 HydrophobicContact CD2-CG 4.49Å; L344-W349 HydrophobicContact CD2-CZ2 4.33Å; L344-W349 WeakPolarHBondContact O-CB 3.41Å; L344-W349 PolarHBondContact O-N 2.9Å; R347-W349 VanDerWaalsContact C-N 3.3Å; R347-W349 PolarHBondContact O-N 3.1Å; W349-D353 HydrophobicContact CE3-CB 3.63Å; W349-D353 HydrophobicContact CZ3-CB 4.12Å; W349-L354 HydrophobicContact CB-CD1 4.02Å; W349-L354 HydrophobicContact CB-CD2 4.12Å; W349-L354 HydrophobicContact CB-CG 3.88Å; W349-L354 HydrophobicContact CD2-CD2 4.44Å; W349-L354 HydrophobicContact CE3-CD2 4.1Å; W349-L354 HydrophobicContact CE3-CG 4.45Å; W349-L354 HydrophobicContact CG-CD2 4.49Å; W349-V357 HydrophobicContact CH2-CG2 4.38Å; W349-V357 HydrophobicContact CZ3-CG2 3.67Å
350	T	97.9	Very high	98.2	Very high	68 Å²	68	40 Å²	40	42%	0.417	20%	0.196	S	C	.	.			trans	-75.8	156.8	177.2	68.9	0	0	0	0	110.1	E352 D353 L354	T350-E352 PolarHBondContact O-N 3.43Å; T350-D353 PolarHBondContact N-OD2 3.42Å; T350-D353 PolarHBondContact O-N 3.27Å; T350-D353 WeakPolarHBondContact OG1-CB 3.32Å; T350-D353 PolarHBondContact OG1-N 3.36Å; T350-D353 PolarHBondContact OG1-OD2 2.99Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 2.92Å
351	E	97.3	Very high	98.3	Very high	93 Å²	93	40 Å²	40	44%	0.435	20%	0.196	S	C	.	.	H	α-helix	trans	-61.7	-29.9	173.7	-67.4	-171.9	-168.9	0	0	112	L43 A355	L43-E351 HydrophobicContact CD1-CB 3.91Å; L43-E351 HydrophobicContact CD1-CG 4.11Å; E351-A355 VanDerWaalsContact O-CB 3.31Å; E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.06Å
352	E	98.1	Very high	98.3	Very high	138 Å²	138	40 Å²	40	65%	0.645	20%	0.196	S	C	*	.	H	α-helix	trans	-67.5	-50.3	174.6	-174.6	178.8	177.5	0	0	111.4	T350 L354 A355 D356	T350-E352 PolarHBondContact O-N 3.43Å; E352-L354 PolarHBondContact O-N 2.92Å; E352-A355 PolarHBondContact O-N 2.96Å; E352-D356 PolarHBondContact O-N 3.27Å
353	D	98.6	Very high	98.3	Very high	30 Å²	30	37.7 Å²	37.7	16%	0.16	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-40.9	176.5	-66.1	-55.4	0	0	0	111.2	K307 A312 W349 T350 D356 V357	K307-D353 WeakPolarHBondContact CE-OD2 3.45Å; K307-D353 IonicContact NZ-OD1 2.78Å; K307-D353 IonicContact NZ-OD2 3.79Å; K307-D353 PolarHBondContact NZ-OD2 2.9Å; A312-D353 HydrophobicContact CB-CB 4.08Å; A312-D353 VanDerWaalsContact CB-OD1 3.29Å; A312-D353 WeakPolarHBondContact CB-OD1 3.25Å; W349-D353 HydrophobicContact CE3-CB 3.63Å; W349-D353 HydrophobicContact CZ3-CB 4.12Å; T350-D353 PolarHBondContact N-OD2 3.42Å; T350-D353 PolarHBondContact O-N 3.27Å; T350-D353 WeakPolarHBondContact OG1-CB 3.32Å; T350-D353 PolarHBondContact OG1-N 3.36Å; T350-D353 PolarHBondContact OG1-OD2 2.99Å; D353-D356 WeakPolarHBondContact O-CB 3.23Å; D353-D356 PolarHBondContact O-N 3.29Å; D353-V357 WeakPolarHBondContact O-CG2 3.31Å; D353-V357 PolarHBondContact O-N 3.16Å
354	L	98.6	Very high	98.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-73.4	-37.9	-179.8	-71	169.7	0	0	0	112.2	L43 V341 L344 L345 W349 T350 E352 D356 V357 L358	L43-L354 HydrophobicContact CD2-CB 3.41Å; L43-L354 VanDerWaalsContact CD2-CB 3.41Å; L43-L354 HydrophobicContact CD2-CD1 3.68Å; L43-L354 HydrophobicContact CD2-CG 4.18Å; V341-L354 HydrophobicContact CG1-CD1 4.29Å; L344-L354 HydrophobicContact CB-CD2 3.75Å; L344-L354 HydrophobicContact CD1-CD2 3.63Å; L344-L354 HydrophobicContact CG-CD2 4.35Å; L345-L354 HydrophobicContact CD2-CD1 3.41Å; L345-L354 VanDerWaalsContact CD2-CD1 3.41Å; L345-L354 HydrophobicContact CG-CD1 3.65Å; W349-L354 HydrophobicContact CB-CD1 4.02Å; W349-L354 HydrophobicContact CB-CD2 4.12Å; W349-L354 HydrophobicContact CB-CG 3.88Å; W349-L354 HydrophobicContact CD2-CD2 4.44Å; W349-L354 HydrophobicContact CE3-CD2 4.1Å; W349-L354 HydrophobicContact CE3-CG 4.45Å; W349-L354 HydrophobicContact CG-CD2 4.49Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 2.92Å; E352-L354 PolarHBondContact O-N 2.92Å; L354-D356 PolarHBondContact O-N 2.95Å; L354-V357 PolarHBondContact O-N 3.24Å; L354-L358 HydrophobicContact CB-CD1 4.48Å; L354-L358 WeakPolarHBondContact O-CB 3.08Å; L354-L358 WeakPolarHBondContact O-CD1 3.29Å; L354-L358 WeakPolarHBondContact O-CG 3.28Å; L354-L358 PolarHBondContact O-N 2.89Å
355	A	98.5	Very high	98.4	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-38.8	172.1	0	0	0	0	0	111.4	Y47 E351 E352 R359 N360	Y47-A355 HydrophobicContact CD1-CB 3.78Å; Y47-A355 HydrophobicContact CD2-CB 3.62Å; Y47-A355 HydrophobicContact CE1-CB 3.84Å; Y47-A355 HydrophobicContact CE2-CB 3.67Å; Y47-A355 HydrophobicContact CG-CB 3.66Å; E351-A355 VanDerWaalsContact O-CB 3.31Å; E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.06Å; E352-A355 PolarHBondContact O-N 2.96Å; A355-R359 PolarHBondContact O-N 3.28Å; A355-R359 VanDerWaalsContact O-N 3.1Å; A355-N360 PolarHBondContact O-N 2.99Å; A355-N360 VanDerWaalsContact O-N 3.1Å; A355-N360 PolarHBondContact O-ND2 2.96Å
356	D	98.6	Very high	98.4	Very high	22 Å²	22	38.4 Å²	38.4	12%	0.118	19%	0.186	C	C	.	.	I	π-helix	trans	-63.2	-51.6	175.1	-80.5	1.7	0	0	0	111.9	E352 D353 L354 L358 R359 N360 N361	E352-D356 PolarHBondContact O-N 3.27Å; D353-D356 WeakPolarHBondContact O-CB 3.23Å; D353-D356 PolarHBondContact O-N 3.29Å; L354-D356 PolarHBondContact O-N 2.95Å; D356-L358 PolarHBondContact O-N 3.45Å; D356-R359 PolarHBondContact O-N 2.7Å; D356-N360 PolarHBondContact O-N 3.46Å; D356-N360 WeakPolarHBondContact OD1-CB 2.95Å; D356-N360 PolarHBondContact OD1-ND2 3.12Å; D356-N361 VanDerWaalsContact C-ND2 3.31Å; D356-N361 WeakPolarHBondContact O-CB 3.38Å; D356-N361 VanDerWaalsContact O-CG 3.24Å; D356-N361 PolarHBondContact O-N 3.49Å; D356-N361 PolarHBondContact O-ND2 3.28Å
357	V	98.8	Very high	98.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	18%	0.18	C	C	.	.	I	π-helix	trans	-61.1	-43.7	176.8	169.1	0	0	0	0	112.6	F303 I315 I317 W349 D353 L354 R359	F303-V357 HydrophobicContact CD1-CG1 4.28Å; F303-V357 HydrophobicContact CE1-CG1 3.69Å; I315-V357 HydrophobicContact CB-CG2 3.93Å; I315-V357 HydrophobicContact CG2-CG1 4.47Å; I315-V357 HydrophobicContact CG2-CG2 3.93Å; I315-V357 WeakPolarHBondContact O-CA 3.38Å; I317-V357 HydrophobicContact CD1-CG1 4.13Å; I317-V357 HydrophobicContact CG1-CG1 3.97Å; W349-V357 HydrophobicContact CH2-CG2 4.38Å; W349-V357 HydrophobicContact CZ3-CG2 3.67Å; D353-V357 WeakPolarHBondContact O-CG2 3.31Å; D353-V357 PolarHBondContact O-N 3.16Å; L354-V357 PolarHBondContact O-N 3.24Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.34Å
358	L	98.8	Very high	98.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.177	C	C	.	.	I	π-helix	trans	-67.7	-34.8	-175.7	-72.9	166.7	0	0	0	111.5	L43 L44 Y47 V49 I50 I317 V341 L354 D356	L43-L358 HydrophobicContact CD2-CD1 4.06Å; L43-L358 HydrophobicContact CG-CD1 4.21Å; L44-L358 HydrophobicContact CD2-CD1 4.07Å; L44-L358 HydrophobicContact CD2-CD2 3.6Å; L44-L358 HydrophobicContact CD2-CG 4.49Å; Y47-L358 WeakPolarHBondContact O-CD1 3.25Å; V49-L358 HydrophobicContact CG2-CD2 3.79Å; I50-L358 PolarHBondContact N-O 3.25Å; I317-L358 HydrophobicContact CD1-CD2 3.94Å; V341-L358 HydrophobicContact CG2-CD1 4.34Å; V341-L358 HydrophobicContact CG2-CD2 3.92Å; L354-L358 HydrophobicContact CB-CD1 4.48Å; L354-L358 WeakPolarHBondContact O-CB 3.08Å; L354-L358 WeakPolarHBondContact O-CD1 3.29Å; L354-L358 WeakPolarHBondContact O-CG 3.28Å; L354-L358 PolarHBondContact O-N 2.89Å; D356-L358 PolarHBondContact O-N 3.45Å
359	R	98.3	Very high	98.6	Very high	12 Å²	12	28.9 Å²	28.9	5%	0.045	14%	0.141	C	C	.	.	I	π-helix	trans	-161.8	-37.6	-177.8	67.8	-176.6	-50	152.8	19.2	118.2	Y47 P48 I50 M143 A355 D356 V357 N361 F362 L363	Y47-R359 HydrophobicContact CD1-CG 4.49Å; P48-R359 VanDerWaalsContact CD-NH1 3.27Å; P48-R359 VanDerWaalsContact CG-NH1 3.33Å; I50-R359 HydrophobicContact CD1-CB 3.79Å; I50-R359 HydrophobicContact CG1-CB 3.77Å; M143-R359 VanDerWaalsContact CE-NH1 3.25Å; M143-R359 PolarHBondContact SD-NH1 2.77Å; A355-R359 PolarHBondContact O-N 3.28Å; A355-R359 VanDerWaalsContact O-N 3.1Å; D356-R359 PolarHBondContact O-N 2.7Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.34Å; R359-N361 PolarHBondContact O-N 3.18Å; R359-F362 PolarHBondContact O-N 3.28Å; R359-F362 VanDerWaalsContact O-N 3.14Å; R359-L363 PolarHBondContact O-N 2.69Å
360	N	98.7	Very high	98.6	Very high	57 Å²	57	29.6 Å²	29.6	31%	0.305	15%	0.145	S	C	.	.	I	π-helix	trans	-65.5	-32.5	-164.9	-54.7	-35	0	0	0	111.3	A355 D356 L363 R364	A355-N360 PolarHBondContact O-N 2.99Å; A355-N360 VanDerWaalsContact O-N 3.1Å; A355-N360 PolarHBondContact O-ND2 2.96Å; D356-N360 PolarHBondContact O-N 3.46Å; D356-N360 WeakPolarHBondContact OD1-CB 2.95Å; D356-N360 PolarHBondContact OD1-ND2 3.12Å; N360-L363 PolarHBondContact O-N 3.12Å; N360-R364 WeakPolarHBondContact O-CB 2.99Å; N360-R364 PolarHBondContact O-N 3.41Å
361	N	98.9	Very high	98.7	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-41.4	177.3	-68.6	-24.1	0	0	0	112.6	L278 A312 K313 I315 D356 R359 R364 V365	L278-N361 HydrophobicContact CD1-CB 3.74Å; A312-N361 PolarHBondContact O-ND2 2.83Å; K313-N361 WeakPolarHBondContact CA-OD1 3.17Å; K313-N361 VanDerWaalsContact O-CG 3.31Å; K313-N361 PolarHBondContact O-OD1 3Å; I315-N361 PolarHBondContact O-ND2 3.09Å; D356-N361 VanDerWaalsContact C-ND2 3.31Å; D356-N361 WeakPolarHBondContact O-CB 3.38Å; D356-N361 VanDerWaalsContact O-CG 3.24Å; D356-N361 PolarHBondContact O-N 3.49Å; D356-N361 PolarHBondContact O-ND2 3.28Å; R359-N361 PolarHBondContact O-N 3.18Å; N361-R364 PolarHBondContact O-N 3.29Å; N361-V365 PolarHBondContact O-N 2.89Å
362	F	98.9	Very high	98.7	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.022	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-46.7	175.4	-178.8	-87.6	0	0	0	111.1	I50 L139 L151 I225 L278 M280 R359 R364 V365 F366	I50-F362 HydrophobicContact CD1-CB 4.4Å; I50-F362 HydrophobicContact CD1-CD1 3.86Å; I50-F362 HydrophobicContact CD1-CG 4.45Å; I50-F362 HydrophobicContact CG2-CB 4.2Å; I50-F362 HydrophobicContact CG2-CD1 3.69Å; I50-F362 HydrophobicContact CG2-CD2 4.2Å; I50-F362 HydrophobicContact CG2-CE1 4.08Å; I50-F362 HydrophobicContact CG2-CG 3.75Å; L139-F362 HydrophobicContact CD1-CE1 4.13Å; L151-F362 HydrophobicContact CD1-CE1 3.77Å; L151-F362 HydrophobicContact CD1-CZ 3.67Å; I225-F362 HydrophobicContact CD1-CE2 4.43Å; I225-F362 HydrophobicContact CD1-CZ 4.23Å; L278-F362 HydrophobicContact CD2-CB 3.99Å; L278-F362 HydrophobicContact CD2-CD2 4.15Å; M280-F362 HydrophobicContact CE-CD2 3.65Å; M280-F362 HydrophobicContact CE-CE2 4.24Å; M280-F362 HydrophobicContact CE-CG 4.48Å; M280-F362 HydrophobicContact SD-CD2 4.02Å; M280-F362 HydrophobicContact SD-CE2 4.39Å; R359-F362 PolarHBondContact O-N 3.28Å; R359-F362 VanDerWaalsContact O-N 3.14Å; F362-R364 VanDerWaalsContact C-N 3.31Å; F362-R364 PolarHBondContact O-N 3.39Å; F362-V365 PolarHBondContact O-N 3.38Å; F362-F366 HydrophobicContact CE1-CB 4.24Å; F362-F366 AromaticContact CE1-CD1 3.85Å; F362-F366 HydrophobicContact CE1-CD1 3.85Å; F362-F366 HydrophobicContact CE1-CG 4.43Å; F362-F366 HydrophobicContact CZ-CD1 4.34Å; F362-F366 WeakPolarHBondContact O-CB 3.22Å; F362-F366 PolarHBondContact O-N 3.29Å
363	L	98.8	Very high	98.8	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-58.1	-44.8	177.5	-69.4	172.4	0	0	0	111.2	I50 L139 R359 N360 V365 F366 E367	I50-L363 HydrophobicContact CD1-CD2 4.1Å; I50-L363 HydrophobicContact CD1-CG 4Å; L139-L363 HydrophobicContact CB-CD2 4.33Å; L139-L363 HydrophobicContact CD1-CD2 3.93Å; R359-L363 PolarHBondContact O-N 2.69Å; N360-L363 PolarHBondContact O-N 3.12Å; L363-V365 PolarHBondContact O-N 3.15Å; L363-F366 PolarHBondContact O-N 2.03Å; L363-E367 WeakPolarHBondContact O-CB 3.37Å; L363-E367 VanDerWaalsContact O-CG 3.24Å; L363-E367 WeakPolarHBondContact O-CG 3.47Å; L363-E367 PolarHBondContact O-N 3.12Å
364	R	98.8	Very high	98.8	Very high	51 Å²	51	28.4 Å²	28.4	19%	0.192	13%	0.132	C	C	.	.	H	α-helix	trans	-56.4	-51.3	175	177.7	-170	66.2	76.4	-4.2	111.9	R276 K313 N360 N361 F362 F366 E367 E368	R276-R364 VanDerWaalsContact O-CZ 3.26Å; R276-R364 PolarHBondContact O-NH1 3Å; R276-R364 PolarHBondContact O-NH2 3.04Å; K313-R364 PolarHBondContact O-NH2 2.84Å; K313-R364 VanDerWaalsContact O-NH2 3.11Å; N360-R364 WeakPolarHBondContact O-CB 2.99Å; N360-R364 PolarHBondContact O-N 3.41Å; N361-R364 PolarHBondContact O-N 3.29Å; F362-R364 VanDerWaalsContact C-N 3.31Å; F362-R364 PolarHBondContact O-N 3.39Å; R364-F366 VanDerWaalsContact C-N 3.34Å; R364-F366 PolarHBondContact O-N 3.06Å; R364-E367 PolarHBondContact O-N 3.47Å; R364-E368 WeakPolarHBondContact CG-OE1 3.4Å; R364-E368 IonicContact CZ-OE1 3.85Å; R364-E368 IonicContact NH1-OE1 3.42Å; R364-E368 PolarHBondContact NH1-OE1 3.07Å; R364-E368 IonicContact NH1-OE2 2.65Å; R364-E368 WeakPolarHBondContact O-CB 3.47Å; R364-E368 WeakPolarHBondContact O-CG 3.31Å; R364-E368 PolarHBondContact O-N 2.81Å
365	V	98.9	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-45.1	180	163.9	0	0	0	0	110.9	P246 I248 L278 N361 F362 L363 E367 E368 V369	P246-V365 HydrophobicContact CB-CG1 4.18Å; P246-V365 HydrophobicContact CB-CG2 4.21Å; I248-V365 HydrophobicContact CG2-CG1 3.8Å; L278-V365 HydrophobicContact CB-CG2 3.93Å; N361-V365 PolarHBondContact O-N 2.89Å; F362-V365 PolarHBondContact O-N 3.38Å; L363-V365 PolarHBondContact O-N 3.15Å; V365-E367 PolarHBondContact O-N 2.88Å; V365-E368 PolarHBondContact O-N 2.85Å; V365-V369 HydrophobicContact CG1-CG2 4.47Å; V365-V369 WeakPolarHBondContact O-CG2 3.49Å; V365-V369 PolarHBondContact O-N 2.95Å
366	F	98.9	Very high	98.8	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-38.8	-178.7	-166.8	-170.9	0	0	0	111.6	T136 L139 L151 R176 I225 F362 L363 R364 E368 V369 E370	T136-F366 HydrophobicContact CG2-CB 3.58Å; T136-F366 HydrophobicContact CG2-CD1 3.56Å; T136-F366 HydrophobicContact CG2-CD2 4.21Å; T136-F366 HydrophobicContact CG2-CE1 4.28Å; T136-F366 HydrophobicContact CG2-CG 3.51Å; L139-F366 HydrophobicContact CD1-CD1 3.76Å; L139-F366 HydrophobicContact CD1-CE1 3.92Å; L151-F366 HydrophobicContact CD1-CE1 4.37Å; L151-F366 HydrophobicContact CD2-CE1 3.91Å; L151-F366 HydrophobicContact CD2-CZ 4.35Å; R176-F366 HydrophobicContact CB-CE2 4.48Å; R176-F366 HydrophobicContact CB-CZ 4.12Å; R176-F366 HydrophobicContact CG-CZ 3.99Å; I225-F366 HydrophobicContact CD1-CB 4.32Å; I225-F366 HydrophobicContact CD1-CD2 3.94Å; I225-F366 HydrophobicContact CD1-CE2 4.45Å; I225-F366 HydrophobicContact CD1-CG 4.09Å; I225-F366 HydrophobicContact CG1-CD2 4.25Å; F362-F366 HydrophobicContact CE1-CB 4.24Å; F362-F366 AromaticContact CE1-CD1 3.85Å; F362-F366 HydrophobicContact CE1-CD1 3.85Å; F362-F366 HydrophobicContact CE1-CG 4.43Å; F362-F366 HydrophobicContact CZ-CD1 4.34Å; F362-F366 WeakPolarHBondContact O-CB 3.22Å; F362-F366 PolarHBondContact O-N 3.29Å; L363-F366 PolarHBondContact O-N 2.03Å; R364-F366 VanDerWaalsContact C-N 3.34Å; R364-F366 PolarHBondContact O-N 3.06Å; F366-E368 PolarHBondContact O-N 3.02Å; F366-V369 PolarHBondContact O-N 3.49Å; F366-E370 HydrophobicContact CD2-CG 4.12Å; F366-E370 HydrophobicContact CE2-CG 4.05Å; F366-E370 WeakPolarHBondContact O-CG 3.17Å; F366-E370 PolarHBondContact O-N 2.95Å
367	E	98.9	Very high	98.6	Very high	74 Å²	74	37.8 Å²	37.8	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-40.9	173.8	-75	174	-177.4	0	0	111.7	T136 R140 L363 R364 V365 E370 K371	T136-E367 HydrophobicContact CG2-CB 4.33Å; T136-E367 HydrophobicContact CG2-CG 3.55Å; R140-E367 IonicContact CZ-OE1 3.98Å; R140-E367 IonicContact NE-OE1 3.59Å; R140-E367 PolarHBondContact NE-OE1 2.89Å; R140-E367 IonicContact NH2-OE1 2.92Å; R140-E367 PolarHBondContact NH2-OE1 3.31Å; L363-E367 WeakPolarHBondContact O-CB 3.37Å; L363-E367 VanDerWaalsContact O-CG 3.24Å; L363-E367 WeakPolarHBondContact O-CG 3.47Å; L363-E367 PolarHBondContact O-N 3.12Å; R364-E367 PolarHBondContact O-N 3.47Å; V365-E367 PolarHBondContact O-N 2.88Å; E367-E370 PolarHBondContact O-N 3.38Å; E367-K371 WeakPolarHBondContact O-CB 3.35Å; E367-K371 PolarHBondContact O-N 2.84Å
368	E	98.9	Very high	98.5	Very high	32 Å²	32	47 Å²	47	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-38.3	175.6	-73.5	176.8	-143.4	0	0	111.6	P246 R276 R364 V365 F366 K371 V372	P246-E368 HydrophobicContact CG-CB 3.71Å; P246-E368 HydrophobicContact CG-CG 4.39Å; P246-E368 WeakPolarHBondContact CG-OE2 3.22Å; R276-E368 IonicContact CZ-OE1 3.95Å; R276-E368 IonicContact CZ-OE2 3.69Å; R276-E368 IonicContact NE-OE1 3.53Å; R276-E368 PolarHBondContact NE-OE1 2.93Å; R276-E368 IonicContact NE-OE2 3.44Å; R276-E368 PolarHBondContact NE-OE2 3.42Å; R276-E368 IonicContact NH2-OE1 3.74Å; R276-E368 PolarHBondContact NH2-OE1 3.5Å; R276-E368 IonicContact NH2-OE2 3.71Å; R364-E368 WeakPolarHBondContact CG-OE1 3.4Å; R364-E368 IonicContact CZ-OE1 3.85Å; R364-E368 IonicContact NH1-OE1 3.42Å; R364-E368 PolarHBondContact NH1-OE1 3.07Å; R364-E368 IonicContact NH1-OE2 2.65Å; R364-E368 WeakPolarHBondContact O-CB 3.47Å; R364-E368 WeakPolarHBondContact O-CG 3.31Å; R364-E368 PolarHBondContact O-N 2.81Å; V365-E368 PolarHBondContact O-N 2.85Å; F366-E368 PolarHBondContact O-N 3.02Å; E368-K371 WeakPolarHBondContact O-CB 2.99Å; E368-K371 PolarHBondContact O-N 2.68Å; E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 2.78Å
369	V	98.9	Very high	98.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-44.3	173.8	168.4	0	0	0	0	111.5	G223 I225 A245 P246 V365 F366 K371 V372 R373	G223-V369 VanDerWaalsContact C-CG1 3.43Å; G223-V369 WeakPolarHBondContact O-CG1 3.42Å; I225-V369 HydrophobicContact CG1-CB 4.43Å; I225-V369 HydrophobicContact CG1-CG1 4.14Å; I225-V369 HydrophobicContact CG1-CG2 4.19Å; A245-V369 HydrophobicContact CB-CB 4.47Å; A245-V369 HydrophobicContact CB-CG2 3.86Å; P246-V369 WeakPolarHBondContact O-CG2 3.39Å; V365-V369 HydrophobicContact CG1-CG2 4.47Å; V365-V369 WeakPolarHBondContact O-CG2 3.49Å; V365-V369 PolarHBondContact O-N 2.95Å; F366-V369 PolarHBondContact O-N 3.49Å; V369-K371 VanDerWaalsContact C-N 3.31Å; V369-K371 PolarHBondContact O-N 3.42Å; V369-V372 PolarHBondContact O-N 3.36Å; V369-R373 PolarHBondContact O-N 3.25Å
370	E	98.9	Very high	98.5	Very high	21 Å²	21	57.5 Å²	57.5	10%	0.098	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-35.3	174.8	-71.8	178.3	144.4	0	0	112.3	S135 T136 F366 E367 R373 N374	S135-E370 WeakPolarHBondContact CA-OE1 3.33Å; S135-E370 WeakPolarHBondContact CB-OE1 3.41Å; T136-E370 WeakPolarHBondContact CB-OE2 3.12Å; T136-E370 VanDerWaalsContact CG2-OE2 3.23Å; T136-E370 WeakPolarHBondContact CG2-OE2 3.31Å; T136-E370 PolarHBondContact N-OE1 3.17Å; T136-E370 VanDerWaalsContact N-OE1 3.11Å; T136-E370 PolarHBondContact OG1-OE2 3.37Å; F366-E370 HydrophobicContact CD2-CG 4.12Å; F366-E370 HydrophobicContact CE2-CG 4.05Å; F366-E370 WeakPolarHBondContact O-CG 3.17Å; F366-E370 PolarHBondContact O-N 2.95Å; E367-E370 PolarHBondContact O-N 3.38Å; E370-R373 WeakPolarHBondContact O-CB 3.19Å; E370-R373 PolarHBondContact O-N 3.18Å; E370-N374 PolarHBondContact O-N 2.04Å; E370-N374 PolarHBondContact O-ND2 3.13Å; E370-N374 PolarHBondContact O-OD1 3.07Å
371	K	98.9	Very high	98.4	Very high	127 Å²	127	57.8 Å²	57.8	55%	0.552	27%	0.271	S	S	*	.	H	α-helix	trans	-62.6	-48.3	174.7	-171.3	-170.7	-179.2	-148.2	0	111	E367 E368 V369 R373 N374 E375	E367-K371 WeakPolarHBondContact O-CB 3.35Å; E367-K371 PolarHBondContact O-N 2.84Å; E368-K371 WeakPolarHBondContact O-CB 2.99Å; E368-K371 PolarHBondContact O-N 2.68Å; V369-K371 VanDerWaalsContact C-N 3.31Å; V369-K371 PolarHBondContact O-N 3.42Å; K371-R373 VanDerWaalsContact C-N 3.32Å; K371-R373 PolarHBondContact O-N 3.21Å; K371-N374 WeakPolarHBondContact O-CB 3.36Å; K371-N374 PolarHBondContact O-N 3.21Å; K371-N374 VanDerWaalsContact O-N 3.08Å; K371-E375 WeakPolarHBondContact CE-OE1 3.35Å; K371-E375 IonicContact NZ-OE1 3.21Å; K371-E375 PolarHBondContact NZ-OE1 3.17Å; K371-E375 WeakPolarHBondContact O-CG 3.2Å; K371-E375 PolarHBondContact O-N 2.99Å
372	V	98.9	Very high	98.4	Very high	13 Å²	13	58.9 Å²	58.9	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-41.3	176.8	170.6	0	0	0	0	111.3	N220 K244 A245 E368 V369 N374 E375 L376	N220-V372 HydrophobicContact CB-CG1 4.25Å; K244-V372 HydrophobicContact CB-CG1 4.1Å; A245-V372 HydrophobicContact CB-CB 4.01Å; A245-V372 HydrophobicContact CB-CG1 4.17Å; A245-V372 HydrophobicContact CB-CG2 3.86Å; E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 2.78Å; V369-V372 PolarHBondContact O-N 3.36Å; V372-N374 VanDerWaalsContact C-N 3.31Å; V372-N374 PolarHBondContact O-N 3.18Å; V372-E375 PolarHBondContact O-N 2.91Å; V372-L376 HydrophobicContact CG1-CD1 3.69Å; V372-L376 HydrophobicContact CG1-CG 4.26Å; V372-L376 WeakPolarHBondContact O-CB 3.38Å; V372-L376 VanDerWaalsContact O-CG 3.29Å; V372-L376 WeakPolarHBondContact O-CG 2.84Å; V372-L376 PolarHBondContact O-N 3.02Å
373	R	98.8	Very high	98.3	Very high	78 Å²	78	67 Å²	67	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-54	-48.1	171.8	179.2	-162.1	71.9	175.5	-2	111.8	R221 L222 V369 E370 K371 L376 S377	R221-R373 WeakPolarHBondContact O-CG 3.34Å; L222-R373 WeakPolarHBondContact O-CD 3.2Å; L222-R373 WeakPolarHBondContact O-CG 3.38Å; V369-R373 PolarHBondContact O-N 3.25Å; E370-R373 WeakPolarHBondContact O-CB 3.19Å; E370-R373 PolarHBondContact O-N 3.18Å; K371-R373 VanDerWaalsContact C-N 3.32Å; K371-R373 PolarHBondContact O-N 3.21Å; R373-L376 CarbonylContact O-C 3.57Å; R373-L376 PolarHBondContact O-N 3.14Å; R373-S377 PolarHBondContact O-N 3.28Å; R373-S377 VanDerWaalsContact O-N 3.11Å
374	N	98.6	Very high	98.2	Very high	87 Å²	87	70.9 Å²	70.9	47%	0.465	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-40.5	-178.2	-61.9	-20	0	0	0	111.4	E370 K371 V372 L376 S377	E370-N374 PolarHBondContact O-N 2.04Å; E370-N374 PolarHBondContact O-ND2 3.13Å; E370-N374 PolarHBondContact O-OD1 3.07Å; K371-N374 WeakPolarHBondContact O-CB 3.36Å; K371-N374 PolarHBondContact O-N 3.21Å; K371-N374 VanDerWaalsContact O-N 3.08Å; V372-N374 VanDerWaalsContact C-N 3.31Å; V372-N374 PolarHBondContact O-N 3.18Å; N374-L376 VanDerWaalsContact C-N 3.26Å; N374-L376 PolarHBondContact O-N 2.79Å; N374-S377 VanDerWaalsContact O-CB 3.23Å; N374-S377 WeakPolarHBondContact O-CB 3.31Å; N374-S377 PolarHBondContact O-N 2.71Å; N374-S377 PolarHBondContact O-OG 2.87Å
375	E	98.7	Very high	98.1	Very high	106 Å²	106	76.2 Å²	76.2	50%	0.495	36%	0.363	S	S	.	.	H	α-helix	trans	-64.2	-29.8	174.5	-70.4	173.4	-177.7	0	0	112.5	K371 V372 W378	K371-E375 WeakPolarHBondContact CE-OE1 3.35Å; K371-E375 IonicContact NZ-OE1 3.21Å; K371-E375 PolarHBondContact NZ-OE1 3.17Å; K371-E375 WeakPolarHBondContact O-CG 3.2Å; K371-E375 PolarHBondContact O-N 2.99Å; V372-E375 PolarHBondContact O-N 2.91Å; E375-W378 PolarHBondContact O-NE1 3.31Å
376	L	98.3	Very high	97.8	Very high	17 Å²	17	76.7 Å²	76.7	9%	0.089	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.4	177.3	-64.2	177.1	0	0	0	113.8	N220 R221 K244 V372 R373 N374 W378 K379	N220-L376 HydrophobicContact CB-CD1 4.23Å; R221-L376 HydrophobicContact CB-CD1 4.49Å; R221-L376 HydrophobicContact CG-CB 4.32Å; K244-L376 HydrophobicContact CD-CD1 4.27Å; V372-L376 HydrophobicContact CG1-CD1 3.69Å; V372-L376 HydrophobicContact CG1-CG 4.26Å; V372-L376 WeakPolarHBondContact O-CB 3.38Å; V372-L376 VanDerWaalsContact O-CG 3.29Å; V372-L376 WeakPolarHBondContact O-CG 2.84Å; V372-L376 PolarHBondContact O-N 3.02Å; R373-L376 CarbonylContact O-C 3.57Å; R373-L376 PolarHBondContact O-N 3.14Å; N374-L376 VanDerWaalsContact C-N 3.26Å; N374-L376 PolarHBondContact O-N 2.79Å; L376-W378 PolarHBondContact O-N 3.23Å; L376-W378 VanDerWaalsContact O-N 3.1Å; L376-K379 WeakPolarHBondContact O-CB 2.77Å; L376-K379 PolarHBondContact O-N 2.97Å
377	S	95.3	Very high	97.4	Very high	99 Å²	99	79.5 Å²	79.5	69%	0.692	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.6	-177.6	55.9	0	0	0	0	114.3	R373 N374	R373-S377 PolarHBondContact O-N 3.28Å; R373-S377 VanDerWaalsContact O-N 3.11Å; N374-S377 VanDerWaalsContact O-CB 3.23Å; N374-S377 WeakPolarHBondContact O-CB 3.31Å; N374-S377 PolarHBondContact O-N 2.71Å; N374-S377 PolarHBondContact O-OG 2.87Å
378	W	96.6	Very high	96.9	Very high	198 Å²	198	79.9 Å²	79.9	75%	0.75	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.7	175.2	63.7	-91.5	0	0	0	113.4	E375 L376 K380	E375-W378 PolarHBondContact O-NE1 3.31Å; L376-W378 PolarHBondContact O-N 3.23Å; L376-W378 VanDerWaalsContact O-N 3.1Å; W378-K380 PolarHBondContact O-N 3.03Å
379	K	97.7	Very high	96.4	Very high	57 Å²	57	84.4 Å²	84.4	25%	0.248	42%	0.417	C	S	.	.	S	Bend	trans	-75	125.9	-178.9	-171	176.6	178.2	-175.9	0	108.6	D217 R221 L376	D217-K379 IonicContact OD2-NZ 3.69Å; D217-K379 PolarHBondContact OD2-NZ 3.16Å; R221-K379 WeakPolarHBondContact CD-O 3.39Å; R221-K379 HydrophobicContact CG-CB 4.35Å; L376-K379 WeakPolarHBondContact O-CB 2.77Å; L376-K379 PolarHBondContact O-N 2.97Å
380	K	98.4	Very high	95.8	Very high	177 Å²	177	88.8 Å²	88.8	77%	0.77	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-67.2	153.7	174.2	-67.2	-175	179.3	-178.9	0	110.8	R221 W378	R221-K380 WeakPolarHBondContact CD-O 3.44Å; W378-K380 PolarHBondContact O-N 3.03Å
381	P	98.5	Very high	95.4	Very high	62 Å²	62	87.9 Å²	87.9	40%	0.403	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-51	138.9	171.3	-25.7	34.7	0	0	0	112.2
382	S	97.6	Very high	94.9	Very high	28 Å²	28	85.7 Å²	85.7	20%	0.196	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-68	136.8	173	179.3	0	0	0	0	110.8	L164 R168 E218 E384	L164-S382 WeakPolarHBondContact CD1-OG 3.47Å; R168-S382 PolarHBondContact NH1-O 3.06Å; E218-S382 PolarHBondContact OE2-N 2.79Å; E218-S382 VanDerWaalsContact OE2-N 3.09Å; S382-E384 PolarHBondContact OG-N 2.97Å
383	E	97.6	Very high	94.4	Very high	177 Å²	177	87 Å²	87	83%	0.827	45%	0.445	S	S	*	.			trans	-110.5	12.8	175.2	-60.3	-175.2	139.4	0	0	111.4	E385	E383-E385 PolarHBondContact O-N 3.33Å
384	E	97.2	Very high	94.2	Very high	83 Å²	83	93.5 Å²	93.5	39%	0.388	48%	0.476	S	S	.	.			trans	-57.7	127.3	173.9	-173.8	71.4	-165.1	0	0	110	L164 T210 F211 A214 S382	L164-E384 HydrophobicContact CD1-CB 4.19Å; L164-E384 WeakPolarHBondContact CD1-O 3.3Å; T210-E384 WeakPolarHBondContact CG2-OE1 3.44Å; F211-E384 HydrophobicContact CD2-CG 4.27Å; A214-E384 HydrophobicContact CB-CB 3.71Å; A214-E384 HydrophobicContact CB-CG 3.81Å; S382-E384 PolarHBondContact OG-N 2.97Å
385	E	95.1	Very high	93.9	Very high	163 Å²	163	93.5 Å²	93.5	76%	0.762	48%	0.482	S	S	*	.			trans	-109.1	138.3	174.4	-64.2	-165.9	155.8	0	0	109.8	E383	E383-E385 PolarHBondContact O-N 3.33Å
386	I	93.3	Very high	93.5	Very high	10 Å²	10	91.8 Å²	91.8	5%	0.051	47%	0.471	C	S	.	.			trans	-66.9	138.3	171.5	-167.7	161.8	0	0	0	109.6	P187 F211 L388 E390 V391	P187-I386 HydrophobicContact CB-CD1 3.8Å; F211-I386 HydrophobicContact CB-CB 4.19Å; F211-I386 HydrophobicContact CB-CD1 4.4Å; F211-I386 HydrophobicContact CB-CG1 4.18Å; F211-I386 HydrophobicContact CD1-CB 4.04Å; F211-I386 HydrophobicContact CD1-CD1 3.89Å; F211-I386 HydrophobicContact CD1-CG1 4.3Å; F211-I386 HydrophobicContact CD2-CB 3.67Å; F211-I386 VanDerWaalsContact CD2-N 3.33Å; F211-I386 HydrophobicContact CE1-CB 4.38Å; F211-I386 HydrophobicContact CE1-CD1 4.47Å; F211-I386 HydrophobicContact CE2-CB 4.04Å; F211-I386 HydrophobicContact CG-CB 3.67Å; F211-I386 HydrophobicContact CG-CD1 4.16Å; F211-I386 HydrophobicContact CG-CG1 4.07Å; F211-I386 HydrophobicContact CZ-CB 4.38Å; I386-L388 PolarHBondContact O-N 3.31Å; I386-E390 HydrophobicContact CD1-CB 4.26Å; I386-E390 HydrophobicContact CG1-CB 4.12Å; I386-V391 HydrophobicContact CB-CG1 4.4Å; I386-V391 HydrophobicContact CD1-CG1 3.66Å; I386-V391 HydrophobicContact CG1-CG1 4.04Å; I386-V391 HydrophobicContact CG2-CB 4.34Å; I386-V391 HydrophobicContact CG2-CG1 3.53Å; I386-V391 HydrophobicContact CG2-CG2 3.86Å
387	P	90.9	Very high	93	Very high	59 Å²	59	98.5 Å²	98.5	38%	0.383	51%	0.506	S	S	.	.			trans	-55.4	132.1	176.2	-28.4	37.4	0	0	0	111.7	T389 E390	P387-T389 PolarHBondContact O-N 3.24Å; P387-E390 HydrophobicContact CB-CG 4.28Å; P387-E390 WeakPolarHBondContact CG-OE1 3.33Å; P387-E390 WeakPolarHBondContact O-CB 3.03Å; P387-E390 PolarHBondContact O-N 3.24Å
388	L	87.4	Confident	92.5	Very high	82 Å²	82	99 Å²	99	43%	0.429	50%	0.497	S	S	.	.	H	α-helix	trans	-55.9	-30.7	-178.3	-71.8	175.2	0	0	0	113	I386 E390 V391 A392 E398	I386-L388 PolarHBondContact O-N 3.31Å; L388-E390 PolarHBondContact O-N 2.97Å; L388-V391 PolarHBondContact O-N 2.88Å; L388-A392 PolarHBondContact O-N 3.5Å; L388-E398 HydrophobicContact CD1-CG 3.66Å
389	T	88.6	Confident	91.7	Very high	128 Å²	128	97.7 Å²	97.7	79%	0.785	50%	0.504	S	S	*	.	H	α-helix	trans	-62.8	-26.7	175.9	47.9	0	0	0	0	113.5	P387	P387-T389 PolarHBondContact O-N 3.24Å
390	E	87	Confident	90.9	Very high	93 Å²	93	102 Å²	102	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-86.2	-14.9	179.5	-65.1	177.9	-146	0	0	112.9	I386 P387 L388	I386-E390 HydrophobicContact CD1-CB 4.26Å; I386-E390 HydrophobicContact CG1-CB 4.12Å; P387-E390 HydrophobicContact CB-CG 4.28Å; P387-E390 WeakPolarHBondContact CG-OE1 3.33Å; P387-E390 WeakPolarHBondContact O-CB 3.03Å; P387-E390 PolarHBondContact O-N 3.24Å; L388-E390 PolarHBondContact O-N 2.97Å
391	V	90	Very high	90.1	Very high	2 Å²	2	102 Å²	102	1%	0.012	53%	0.526	C	S	.	.	H	α-helix	trans	-125.2	8.7	-175.9	-64.6	0	0	0	0	114.1	P187 I386 L388 N393	P187-V391 HydrophobicContact CB-CG1 4.27Å; P187-V391 HydrophobicContact CG-CG1 4.05Å; I386-V391 HydrophobicContact CB-CG1 4.4Å; I386-V391 HydrophobicContact CD1-CG1 3.66Å; I386-V391 HydrophobicContact CG1-CG1 4.04Å; I386-V391 HydrophobicContact CG2-CB 4.34Å; I386-V391 HydrophobicContact CG2-CG1 3.53Å; I386-V391 HydrophobicContact CG2-CG2 3.86Å; L388-V391 PolarHBondContact O-N 2.88Å; V391-N393 PolarHBondContact O-N 3.37Å; V391-N393 VanDerWaalsContact O-N 3.16Å; V391-N393 PolarHBondContact O-ND2 3.18Å
392	A	87.6	Confident	89	Confident	81 Å²	81	104.5 Å²	104.5	67%	0.669	54%	0.542	S	S	*	.			trans	-58.7	118.5	-179	0	0	0	0	0	111	L388	L388-A392 PolarHBondContact O-N 3.5Å
393	N	89.7	Confident	88	Confident	39 Å²	39	110.7 Å²	110.7	21%	0.209	57%	0.571	C	S	.	*			trans	-152.1	164.8	175.6	72.6	75.8	0	0	0	110.5	H106 V391 C395 R396	H106-N393 HydrophobicContact CB-CB 3.98Å; H106-N393 PolarHBondContact O-OD1 2.91Å; V391-N393 PolarHBondContact O-N 3.37Å; V391-N393 VanDerWaalsContact O-N 3.16Å; V391-N393 PolarHBondContact O-ND2 3.18Å; N393-C395 PolarHBondContact O-N 3.36Å; N393-C395 WeakPolarHBondContact OD1-CA 3.35Å; N393-C395 WeakPolarHBondContact OD1-CB 3.35Å; N393-C395 PolarHBondContact OD1-N 3.14Å; N393-R396 PolarHBondContact O-N 2.75Å; N393-R396 PolarHBondContact OD1-N 2.75Å; N393-R396 VanDerWaalsContact OD1-N 3.14Å
394	K	93.4	Very high	86.8	Confident	216 Å²	216	109.3 Å²	109.3	94%	0.939	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-17.8	-174.1	-64.8	-178.5	-179.3	177.7	0	114.4
395	C	93.2	Very high	85.1	Confident	86 Å²	86	110.5 Å²	110.5	58%	0.581	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-1.6	-178	-57.9	0	0	0	0	112.6	H106 N393	H106-C395 WeakPolarHBondContact O-CB 3.42Å; N393-C395 PolarHBondContact O-N 3.36Å; N393-C395 WeakPolarHBondContact OD1-CA 3.35Å; N393-C395 WeakPolarHBondContact OD1-CB 3.35Å; N393-C395 PolarHBondContact OD1-N 3.14Å
396	R	90.4	Very high	83.6	Confident	71 Å²	71	107.8 Å²	107.8	27%	0.268	58%	0.581	S	S	.	*			trans	-108	123	178.3	178.7	173.9	-72.4	-125.9	0.6	110.4	D161 N393	D161-R396 PolarHBondContact O-NH2 2.83Å; D161-R396 IonicContact OD1-NH2 3.34Å; D161-R396 PolarHBondContact OD1-NH2 3.24Å; D161-R396 IonicContact OD2-CZ 3.63Å; D161-R396 IonicContact OD2-NE 2.99Å; D161-R396 IonicContact OD2-NH2 2.7Å; D161-R396 PolarHBondContact OD2-NH2 2.96Å; N393-R396 PolarHBondContact O-N 2.75Å; N393-R396 PolarHBondContact OD1-N 2.75Å; N393-R396 VanDerWaalsContact OD1-N 3.14Å
397	L	88.3	Confident	81.4	Confident	157 Å²	157	114.6 Å²	114.6	82%	0.822	62%	0.618	S	S	*	*			trans	-95.2	136.1	173.3	-69.2	173.7	0	0	0	110.6
398	E	83.8	Confident	79.3	Confident	110 Å²	110	120.6 Å²	120.6	51%	0.514	64%	0.641	S	S	.	*			trans	-87.1	114.8	167.8	-173.7	-175.4	172.3	0	0	108.6	L388 K400	L388-E398 HydrophobicContact CD1-CG 3.66Å; E398-K400 HydrophobicContact CG-CG 4.17Å; E398-K400 PolarHBondContact O-N 2.79Å; E398-K400 VanDerWaalsContact OE1-CE 3.31Å; E398-K400 WeakPolarHBondContact OE1-CE 3.16Å; E398-K400 WeakPolarHBondContact OE2-CE 3.47Å; E398-K400 IonicContact OE2-NZ 3.03Å; E398-K400 PolarHBondContact OE2-NZ 2.87Å
399	L	80.7	Confident	77.3	Confident	170 Å²	170	121.6 Å²	121.6	89%	0.89	66%	0.655	S	S	*	*			trans	-73.2	97.3	175	-64.1	179.9	0	0	0	109.1
400	K	81.2	Confident	75.1	Confident	147 Å²	147	121 Å²	121	64%	0.639	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-87.9	146.7	172.9	-64.2	-177.6	-179.2	178.7	0	109.5	E398	E398-K400 HydrophobicContact CG-CG 4.17Å; E398-K400 PolarHBondContact O-N 2.79Å; E398-K400 VanDerWaalsContact OE1-CE 3.31Å; E398-K400 WeakPolarHBondContact OE1-CE 3.16Å; E398-K400 WeakPolarHBondContact OE2-CE 3.47Å; E398-K400 IonicContact OE2-NZ 3.03Å; E398-K400 PolarHBondContact OE2-NZ 2.87Å
401	Q	79.8	Confident	72.9	Confident	179 Å²	179	121.1 Å²	121.1	84%	0.836	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-55.6	135.9	169.3	-73.6	-154.3	-8.2	0	0	109.3	I403	Q401-I403 PolarHBondContact O-N 2.79Å; Q401-I403 VanDerWaalsContact O-N 3.17Å
402	P	76.4	Confident	70.5	Confident	114 Å²	114	128.9 Å²	128.9	74%	0.74	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-55.1	125.8	173.6	-20	29.9	0	0	0	108.7	I404	P402-I404 VanDerWaalsContact C-N 3.35Å; P402-I404 PolarHBondContact O-N 3.48Å
403	I	76.9	Confident	68.2	Low	158 Å²	158	133.9 Å²	133.9	81%	0.81	71%	0.711	S	S	*	*			trans	-66.2	101.8	169.8	-59.2	172.4	0	0	0	105.7	Q401 P405	Q401-I403 PolarHBondContact O-N 2.79Å; Q401-I403 VanDerWaalsContact O-N 3.17Å; I403-P405 WeakPolarHBondContact O-CD 3.48Å
404	I	71.7	Confident	65.7	Low	147 Å²	147	136.3 Å²	136.3	75%	0.754	74%	0.737	S	S	*	*			trans	-66.7	115.2	167.7	-58.7	176.2	0	0	0	105.2	P402 S406	P402-I404 VanDerWaalsContact C-N 3.35Å; P402-I404 PolarHBondContact O-N 3.48Å; I404-S406 PolarHBondContact O-N 2.78Å
405	P	62.8	Low	63	Low	108 Å²	108	135.7 Å²	135.7	70%	0.701	74%	0.735	S	S	*	*			trans	-57.5	117	174.4	-18.6	31.5	0	0	0	107.1	I403 N407	I403-P405 WeakPolarHBondContact O-CD 3.48Å; P405-N407 PolarHBondContact O-N 2.72Å
406	S	61.8	Low	60.8	Low	106 Å²	106	134.6 Å²	134.6	74%	0.741	74%	0.737	S	S	*	*			trans	-53.5	121.5	171	59.7	0	0	0	0	106.9	I404 Q408	I404-S406 PolarHBondContact O-N 2.78Å; S406-Q408 PolarHBondContact O-N 2.72Å
407	N	48.2	Very low	58.4	Low	154 Å²	154	139.6 Å²	139.6	82%	0.824	76%	0.763	S	S	*	*			trans	-42.8	105.1	173.5	-89.5	-21.7	0	0	0	109	P405 S409	P405-N407 PolarHBondContact O-N 2.72Å; N407-S409 PolarHBondContact O-N 3.05Å
408	Q	47.4	Very low	56.5	Low	185 Å²	185	139.3 Å²	139.3	86%	0.864	76%	0.763	S	S	*	*			trans	-61.6	100	154.4	-75.2	-173.6	-4.3	0	0	104.1	S406 P410	S406-Q408 PolarHBondContact O-N 2.72Å; Q408-P410 WeakPolarHBondContact O-CD 3.39Å; Q408-P410 VanDerWaalsContact O-N 3.12Å
409	S	44.6	Very low	54.3	Low	102 Å²	102	142.3 Å²	142.3	71%	0.713	78%	0.781	S	S	*	*			trans	-51	120.4	163.5	-56.8	0	0	0	0	105.4	N407 S411	N407-S409 PolarHBondContact O-N 3.05Å; S409-S411 PolarHBondContact O-N 2.89Å
410	P	41.8	Very low	52.5	Low	115 Å²	115	141.7 Å²	141.7	75%	0.747	78%	0.778	S	S	*	*			trans	-62.5	110.1	175.1	23.4	-28.5	0	0	0	105.9	Q408 L412	Q408-P410 WeakPolarHBondContact O-CD 3.39Å; Q408-P410 VanDerWaalsContact O-N 3.12Å; P410-L412 VanDerWaalsContact C-N 3.26Å; P410-L412 PolarHBondContact O-N 2.87Å
411	S	41.3	Very low	50.6	Low	97 Å²	97	144.2 Å²	144.2	68%	0.678	79%	0.789	S	S	*	*			trans	-64.1	99.6	169	85.1	0	0	0	0	105.7	S409 K413	S409-S411 PolarHBondContact O-N 2.89Å; S411-K413 PolarHBondContact O-N 2.81Å
412	L	40.2	Very low	48.8	Very low	164 Å²	164	143.7 Å²	143.7	86%	0.859	79%	0.791	S	S	*	*			trans	-62.8	85.8	160.5	-87.9	151.7	0	0	0	106.4	P410 A414	P410-L412 VanDerWaalsContact C-N 3.26Å; P410-L412 PolarHBondContact O-N 2.87Å; L412-A414 PolarHBondContact O-N 2.87Å
413	K	37.9	Very low	47.2	Very low	186 Å²	186	142.7 Å²	142.7	81%	0.809	79%	0.793	S	S	*	*			trans	-65.9	87.4	155.3	-82.6	-175.2	177.7	178.5	0	105.8	S411 K415	S411-K413 PolarHBondContact O-N 2.81Å; K413-K415 VanDerWaalsContact C-N 3.32Å; K413-K415 PolarHBondContact O-N 3.18Å
414	A	37	Very low	45.6	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	80%	0.797	S	S	*	*			trans	-58.5	100.3	163.8	0	0	0	0	0	107.3	L412 G416	L412-A414 PolarHBondContact O-N 2.87Å; A414-G416 PolarHBondContact O-N 2.97Å
415	K	38.5	Very low	44.2	Very low	203 Å²	203	140.3 Å²	140.3	88%	0.883	79%	0.794	S	S	*	*			trans	-65.1	93.4	154.7	-80.2	-178.2	176.5	179.3	0	105.1	K413 H417	K413-K415 VanDerWaalsContact C-N 3.32Å; K413-K415 PolarHBondContact O-N 3.18Å; K415-H417 PolarHBondContact O-N 2.91Å
416	G	45.6	Very low	43.3	Very low	62 Å²	62	143.8 Å²	143.8	64%	0.639	81%	0.806	S	S	*	*			trans	-59.8	119.3	169	0	0	0	0	0	107.8	A414	A414-G416 PolarHBondContact O-N 2.97Å
417	H	41.5	Very low	42.6	Very low	176 Å²	176	146 Å²	146	82%	0.815	81%	0.809	S	S	*	*			trans	-152.7	124.8	151.7	-97.7	45.5	0	0	0	106.1	K415	K415-H417 PolarHBondContact O-N 2.91Å
418	N	46.9	Very low	42.4	Very low	152 Å²	152	147.7 Å²	147.7	81%	0.813	81%	0.809	S	S	*	*			trans	64.7	79.2	163.9	-61.5	-14.4	0	0	0	118.8
419	L	38	Very low	41.9	Very low	172 Å²	172	149.6 Å²	149.6	90%	0.901	81%	0.81	S	S	*	*			trans	-140.9	62.5	150.3	-101.8	151.1	0	0	0	108.7
420	L	42.2	Very low	41.8	Very low	157 Å²	157	154.1 Å²	154.1	82%	0.822	82%	0.817	S	S	*	*			trans	-130.7	44.7	171.2	-148.8	118.7	0	0	0	110.2
421	F	42.9	Very low	41.5	Very low	200 Å²	200	158 Å²	158	88%	0.877	82%	0.823	S	S	*	*	S	Bend	trans	-161.2	68.8	169	-91.7	-73	0	0	0	109.5
422	L	40.2	Very low	41.9	Very low	168 Å²	168	162.7 Å²	162.7	88%	0.88	85%	0.851	S	S	*	*	S	Bend	trans	-169.4	38.1	160.2	-107.8	141.3	0	0	0	112.1
423	A	44.4	Very low	42	Very low	93 Å²	93	162.6 Å²	162.6	77%	0.769	85%	0.85	S	S	*	*	S	Bend	trans	-127.2	57	171.8	0	0	0	0	0	109.4
424	L	42	Very low	42.3	Very low	171 Å²	171	161.4 Å²	161.4	90%	0.895	85%	0.852	S	S	*	*	S	Bend	trans	-173.9	56.2	171.9	-106	146.1	0	0	0	110.9
425	A	43.9	Very low	42.5	Very low	85 Å²	85	165.3 Å²	165.3	70%	0.702	86%	0.858	S	S	*	*	S	Bend	trans	-159.9	29.2	169.8	0	0	0	0	0	114.5
426	L	42	Very low	42.8	Very low	181 Å²	181	163.1 Å²	163.1	95%	0.948	86%	0.857	S	S	*	*			trans	-140.6	38.8	169.6	-78	172.5	0	0	0	111.2
427	L	47.2	Very low	42.6	Very low	152 Å²	152	169.4 Å²	169.4	80%	0.796	87%	0.87	S	S	*	*			trans	-99.6	137.8	151.2	-86.3	155.5	0	0	0	105.4
428	F	44.1	Very low	42.7	Very low	190 Å²	190	168.9 Å²	168.9	83%	0.833	87%	0.874	S	S	*	*	S	Bend	trans	82.2	82.2	-164.2	-53.2	-76.1	0	0	0	113.6
429	Y	37.8	Very low	42.4	Very low	224 Å²	224	170.1 Å²	170.1	88%	0.878	88%	0.878	S	S	*	*				-177.7	84.9	109.8	-102.8	-83.2	0	0	0	108.4
430	F	42	Very low	42.7	Very low	197 Å²	197	170 Å²	170	86%	0.864	88%	0.877	S	S	*	*			trans	-132.2	114.1	153.5	-97.8	-77.5	0	0	0	106
431	F	35.7	Very low	42.8	Very low	197 Å²	197	171.1 Å²	171.1	86%	0.864	88%	0.881	S	S	*	*			trans	171.5	154.4	134.6	-92	-64.8	0	0	0	108
432	P	50.9	Low	42.7	Very low	195 Å²	195	168.5 Å²	168.5	100%	1.266	88%	0.881	S	S	*	*				-71.6	0	-120.3	32.7	-36.8	0	0	0	116.7

Retrieved 432 of 432 residues in 1968.2 ms (Link to these results)

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