A0A077ZIF2_TRITR Loading...

Pantothenate kinase

AlphaFold DB , UniProt , Accession A0A077ZIF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 333 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	35.4	Very low	41.6	Very low	245 Å²	245	148.6 Å²	148.6	100%	1.207	77%	0.774	S	S	*	*				0	33.9	0	-148.5	175.5	-142.4	0	0	112.7
2	V	36.2	Very low	41.8	Very low	131 Å²	131	152 Å²	152	79%	0.794	77%	0.769	S	S	*	*			trans	-151.3	83.6	175.7	-178.7	0	0	0	0	107.5
3	Y	39.5	Very low	41.9	Very low	239 Å²	239	146.8 Å²	146.8	94%	0.937	74%	0.744	S	S	*	*			trans	-155.5	5.9	169.9	-97	-72.8	0	0	0	115.1
4	G	41.7	Very low	42	Very low	80 Å²	80	142.9 Å²	142.9	83%	0.825	73%	0.725	S	S	*	*	S	Bend	trans	-96.4	-3.9	-171.9	0	0	0	0	0	117.4
5	M	42.7	Very low	42.2	Very low	189 Å²	189	144.1 Å²	144.1	93%	0.931	72%	0.723	S	S	*	*	S	Bend	trans	-112.6	13.6	-160.9	-132.7	174	-175.9	0	0	116.4
6	K	41.5	Very low	42.3	Very low	173 Å²	173	141.1 Å²	141.1	75%	0.752	71%	0.711	S	S	*	*	S	Bend	trans	-116.7	-10.5	-179.1	-93.1	-175.1	174.1	-177.6	0	117.1
7	I	45.3	Very low	42.2	Very low	125 Å²	125	137.9 Å²	137.9	64%	0.641	70%	0.696	S	S	*	*	H	α-helix	trans	-82.4	-35.4	-175.3	-67	165.3	0	0	0	112.4	F9 I10 F11	I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 3.43Å; I7-I10 PolarHBondContact O-N 3.2Å; I7-F11 HydrophobicContact CG2-CD2 4.43Å; I7-F11 PolarHBondContact O-N 2.85Å
8	G	43.6	Very low	42.2	Very low	62 Å²	62	138.9 Å²	138.9	64%	0.639	69%	0.691	S	S	*	*	H	α-helix	trans	-68.6	-27.2	-179.9	0	0	0	0	0	114.9
9	F	45.4	Very low	42.2	Very low	151 Å²	151	137.9 Å²	137.9	66%	0.662	68%	0.683	S	S	*	*	H	α-helix	trans	-78.3	-32.1	179.4	-149.9	-93.5	0	0	0	112.1	I7 R12 L13	I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 3.43Å; F9-R12 PolarHBondContact O-N 3.42Å; F9-L13 HydrophobicContact CD1-CD1 3.73Å; F9-L13 HydrophobicContact CD1-CG 4.39Å; F9-L13 HydrophobicContact CE1-CD1 3.91Å; F9-L13 HydrophobicContact CE1-CG 4.41Å; F9-L13 PolarHBondContact O-N 3.33Å
10	I	45.4	Very low	42.1	Very low	99 Å²	99	135.8 Å²	135.8	51%	0.508	67%	0.674	S	S	.	*	H	α-helix	trans	-69.6	-40.4	178.2	-65.9	173.3	0	0	0	110.8	I7 R12 L13 L14	I7-I10 PolarHBondContact O-N 3.2Å; I10-R12 VanDerWaalsContact C-N 3.33Å; I10-R12 PolarHBondContact O-N 3.44Å; I10-L13 PolarHBondContact O-N 2.93Å; I10-L14 HydrophobicContact CG2-CD1 4Å; I10-L14 HydrophobicContact CG2-CG 4.48Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.4Å
11	F	41.1	Very low	42.1	Very low	141 Å²	141	134.6 Å²	134.6	62%	0.618	67%	0.668	S	S	*	*	H	α-helix	trans	-65.6	-32.8	176.1	-97.6	-84.7	0	0	0	113.7	I7 K15	I7-F11 HydrophobicContact CG2-CD2 4.43Å; I7-F11 PolarHBondContact O-N 2.85Å; F11-K15 PolarHBondContact O-N 3.42Å; F11-K15 VanDerWaalsContact O-N 3.1Å
12	R	44.1	Very low	42.8	Very low	189 Å²	189	126.5 Å²	126.5	71%	0.713	63%	0.63	S	S	*	*	H	α-helix	trans	-74.4	-34.3	177.8	-163.9	173.5	-175.6	176.1	1.1	112.4	F9 I10 N16	F9-R12 PolarHBondContact O-N 3.42Å; I10-R12 VanDerWaalsContact C-N 3.33Å; I10-R12 PolarHBondContact O-N 3.44Å; R12-N16 PolarHBondContact O-N 2.86Å
13	L	42.3	Very low	43.3	Very low	85 Å²	85	126.1 Å²	126.1	45%	0.445	62%	0.617	S	S	.	*	H	α-helix	trans	-67.3	-45.3	171.6	-78.6	163.2	0	0	0	111	F9 I10 K15 N16 D17	F9-L13 HydrophobicContact CD1-CD1 3.73Å; F9-L13 HydrophobicContact CD1-CG 4.39Å; F9-L13 HydrophobicContact CE1-CD1 3.91Å; F9-L13 HydrophobicContact CE1-CG 4.41Å; F9-L13 PolarHBondContact O-N 3.33Å; I10-L13 PolarHBondContact O-N 2.93Å; L13-K15 PolarHBondContact O-N 3.33Å; L13-N16 PolarHBondContact O-N 2.99Å; L13-D17 WeakPolarHBondContact O-CB 3.19Å; L13-D17 PolarHBondContact O-N 3.32Å
14	L	43.3	Very low	43.3	Very low	92 Å²	92	121.8 Å²	121.8	48%	0.482	61%	0.606	S	S	.	*	H	α-helix	trans	-61.5	-38.5	177.8	-72.6	170.6	0	0	0	113.2	I10 Y18	I10-L14 HydrophobicContact CG2-CD1 4Å; I10-L14 HydrophobicContact CG2-CG 4.48Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.4Å; L14-Y18 WeakPolarHBondContact O-CB 3.37Å; L14-Y18 PolarHBondContact O-N 3.1Å
15	K	45.6	Very low	43.6	Very low	160 Å²	160	121.5 Å²	121.5	70%	0.696	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-39.5	174.7	-86.3	-168.8	172.6	-169.8	0	112.9	F11 L13 F19	F11-K15 PolarHBondContact O-N 3.42Å; F11-K15 VanDerWaalsContact O-N 3.1Å; L13-K15 PolarHBondContact O-N 3.33Å; K15-F19 WeakPolarHBondContact O-CB 3.39Å; K15-F19 PolarHBondContact O-N 3.3Å
16	N	44	Very low	43.9	Very low	97 Å²	97	114.8 Å²	114.8	52%	0.519	56%	0.555	S	S	.	*	H	α-helix	trans	-70.5	-38	177.2	-85.7	-5.1	0	0	0	111.9	R12 L13 F19 N20	R12-N16 PolarHBondContact O-N 2.86Å; L13-N16 PolarHBondContact O-N 2.99Å; N16-F19 PolarHBondContact O-N 3.17Å; N16-N20 WeakPolarHBondContact O-CB 3.4Å; N16-N20 PolarHBondContact O-N 3.14Å; N16-N20 PolarHBondContact O-ND2 3.4Å
17	D	41.1	Very low	44.2	Very low	87 Å²	87	114 Å²	114	47%	0.465	56%	0.556	S	S	.	*	H	α-helix	trans	-68.5	-38.4	176.1	-69.5	-21.3	0	0	0	111.2	L13 N20 M21	L13-D17 WeakPolarHBondContact O-CB 3.19Å; L13-D17 PolarHBondContact O-N 3.32Å; D17-N20 PolarHBondContact O-N 2.94Å; D17-M21 WeakPolarHBondContact O-CB 3.23Å; D17-M21 PolarHBondContact O-N 3.37Å
18	Y	42	Very low	44.5	Very low	155 Å²	155	114 Å²	114	61%	0.608	56%	0.558	S	S	*	*	H	α-helix	trans	-61.4	-42.8	171.4	-115.2	-92.8	0	0	0	112.5	L14 M21 N22	L14-Y18 WeakPolarHBondContact O-CB 3.37Å; L14-Y18 PolarHBondContact O-N 3.1Å; Y18-M21 PolarHBondContact O-N 3.5Å; Y18-N22 WeakPolarHBondContact O-CB 3.37Å; Y18-N22 PolarHBondContact O-N 2.9Å
19	F	42.3	Very low	45.3	Very low	120 Å²	120	112.6 Å²	112.6	53%	0.526	53%	0.534	S	S	.	.	H	α-helix	trans	-69.3	-35.7	-179.4	-147.3	-90.9	0	0	0	112.1	K15 N16 K23	K15-F19 WeakPolarHBondContact O-CB 3.39Å; K15-F19 PolarHBondContact O-N 3.3Å; N16-F19 PolarHBondContact O-N 3.17Å; F19-K23 PolarHBondContact O-N 2.96Å; F19-K23 VanDerWaalsContact O-N 3.14Å
20	N	40.5	Very low	46.3	Very low	95 Å²	95	110.4 Å²	110.4	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-73	-40.6	174.5	-75.8	-30.4	0	0	0	112.1	N16 D17 N22 K23 E24	N16-N20 WeakPolarHBondContact O-CB 3.4Å; N16-N20 PolarHBondContact O-N 3.14Å; N16-N20 PolarHBondContact O-ND2 3.4Å; D17-N20 PolarHBondContact O-N 2.94Å; N20-N22 VanDerWaalsContact C-N 3.31Å; N20-N22 PolarHBondContact O-N 2.97Å; N20-K23 PolarHBondContact O-N 3.1Å; N20-K23 VanDerWaalsContact O-N 3.14Å; N20-E24 PolarHBondContact O-N 3.12Å
21	M	41	Very low	47.8	Very low	112 Å²	112	107.5 Å²	107.5	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-57.4	-45.5	170.6	-90.6	-179.3	57.9	0	0	110.9	D17 Y18 K23 E24 V25	D17-M21 WeakPolarHBondContact O-CB 3.23Å; D17-M21 PolarHBondContact O-N 3.37Å; Y18-M21 PolarHBondContact O-N 3.5Å; M21-K23 VanDerWaalsContact C-N 3.3Å; M21-K23 PolarHBondContact O-N 3Å; M21-E24 PolarHBondContact O-N 3.37Å; M21-V25 WeakPolarHBondContact O-CB 3.46Å; M21-V25 WeakPolarHBondContact O-CG2 3.47Å; M21-V25 PolarHBondContact O-N 3.47Å
22	N	50.6	Low	50.2	Low	75 Å²	75	105 Å²	105	40%	0.401	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-39.1	176.6	-79.7	-13.2	0	0	0	111.5	Y18 N20 V25 L26	Y18-N22 WeakPolarHBondContact O-CB 3.37Å; Y18-N22 PolarHBondContact O-N 2.9Å; N20-N22 VanDerWaalsContact C-N 3.31Å; N20-N22 PolarHBondContact O-N 2.97Å; N22-V25 PolarHBondContact O-N 2.77Å; N22-L26 WeakPolarHBondContact O-CB 3.37Å; N22-L26 VanDerWaalsContact O-CD1 3.26Å; N22-L26 WeakPolarHBondContact O-CD1 3.41Å; N22-L26 WeakPolarHBondContact O-CG 3.24Å; N22-L26 PolarHBondContact O-N 3.46Å
23	K	45.7	Very low	52.6	Low	122 Å²	122	96.4 Å²	96.4	53%	0.53	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-43.1	175.5	-79.6	-172.3	177.7	179.8	0	113.6	F19 N20 M21 M27	F19-K23 PolarHBondContact O-N 2.96Å; F19-K23 VanDerWaalsContact O-N 3.14Å; N20-K23 PolarHBondContact O-N 3.1Å; N20-K23 VanDerWaalsContact O-N 3.14Å; M21-K23 VanDerWaalsContact C-N 3.3Å; M21-K23 PolarHBondContact O-N 3Å; K23-M27 WeakPolarHBondContact O-CB 3.37Å; K23-M27 WeakPolarHBondContact O-CG 3.05Å; K23-M27 PolarHBondContact O-N 2.99Å
24	E	39.4	Very low	55.2	Low	149 Å²	149	97.9 Å²	97.9	70%	0.696	48%	0.48	S	S	*	.	H	α-helix	trans	-66.7	-40.3	176.6	-77	-173.3	164.7	0	0	111.6	N20 M21 M27 N28	N20-E24 PolarHBondContact O-N 3.12Å; M21-E24 PolarHBondContact O-N 3.37Å; E24-M27 PolarHBondContact O-N 3.33Å; E24-N28 WeakPolarHBondContact O-CB 3.28Å; E24-N28 PolarHBondContact O-N 2.89Å
25	V	48.4	Very low	57.6	Low	73 Å²	73	100.4 Å²	100.4	44%	0.442	48%	0.483	S	S	.	.	H	α-helix	trans	-63.6	-47.8	174.3	172.9	0	0	0	0	110.7	M21 N22 M27 N28 E29	M21-V25 WeakPolarHBondContact O-CB 3.46Å; M21-V25 WeakPolarHBondContact O-CG2 3.47Å; M21-V25 PolarHBondContact O-N 3.47Å; N22-V25 PolarHBondContact O-N 2.77Å; V25-M27 VanDerWaalsContact C-N 3.28Å; V25-M27 PolarHBondContact O-N 3.1Å; V25-N28 CarbonylContact O-C 3.51Å; V25-N28 PolarHBondContact O-N 3.36Å; V25-N28 VanDerWaalsContact O-N 3.1Å; V25-E29 HydrophobicContact CG1-CG 4.47Å; V25-E29 WeakPolarHBondContact O-CG 3.37Å; V25-E29 PolarHBondContact O-N 2.94Å
26	L	50.1	Low	60.1	Low	49 Å²	49	93.6 Å²	93.6	26%	0.257	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-31.7	176.5	-67.5	163.7	0	0	0	112.3	N22	N22-L26 WeakPolarHBondContact O-CB 3.37Å; N22-L26 VanDerWaalsContact O-CD1 3.26Å; N22-L26 WeakPolarHBondContact O-CD1 3.41Å; N22-L26 WeakPolarHBondContact O-CG 3.24Å; N22-L26 PolarHBondContact O-N 3.46Å
27	M	46.7	Very low	62.6	Low	157 Å²	157	90.5 Å²	90.5	77%	0.773	44%	0.442	S	S	*	.	H	α-helix	trans	-72.3	-39.2	172.7	-82	-172.6	169.9	0	0	112	K23 E24 V25	K23-M27 WeakPolarHBondContact O-CB 3.37Å; K23-M27 WeakPolarHBondContact O-CG 3.05Å; K23-M27 PolarHBondContact O-N 2.99Å; E24-M27 PolarHBondContact O-N 3.33Å; V25-M27 VanDerWaalsContact C-N 3.28Å; V25-M27 PolarHBondContact O-N 3.1Å
28	N	53	Low	65.2	Low	125 Å²	125	87.9 Å²	87.9	67%	0.668	43%	0.425	S	S	*	.	H	α-helix	trans	-73.8	-30.9	178.2	-154	14.2	0	0	0	112.2	E24 V25 R30 G31	E24-N28 WeakPolarHBondContact O-CB 3.28Å; E24-N28 PolarHBondContact O-N 2.89Å; V25-N28 CarbonylContact O-C 3.51Å; V25-N28 PolarHBondContact O-N 3.36Å; V25-N28 VanDerWaalsContact O-N 3.1Å; N28-R30 PolarHBondContact O-N 3.36Å; N28-G31 PolarHBondContact O-N 3.24Å
29	E	59.1	Low	67.7	Low	31 Å²	31	85.3 Å²	85.3	15%	0.145	42%	0.422	C	S	.	.	H	α-helix	trans	-50.9	-42.9	174.1	-85.4	175.5	-166.5	0	0	111.4	V25 G31 N32 Y33 R310	V25-E29 HydrophobicContact CG1-CG 4.47Å; V25-E29 WeakPolarHBondContact O-CG 3.37Å; V25-E29 PolarHBondContact O-N 2.94Å; E29-G31 PolarHBondContact O-N 3.21Å; E29-N32 PolarHBondContact O-N 3.29Å; E29-Y33 VanDerWaalsContact O-CD2 3.24Å; E29-Y33 WeakPolarHBondContact O-CD2 3.47Å; E29-R310 IonicContact OE2-CZ 3.66Å; E29-R310 IonicContact OE2-NE 2.99Å; E29-R310 PolarHBondContact OE2-NE 2.82Å; E29-R310 IonicContact OE2-NH2 2.74Å; E29-R310 PolarHBondContact OE2-NH2 3.24Å
30	R	66.6	Low	70.2	Confident	106 Å²	106	84.8 Å²	84.8	40%	0.4	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-68.5	-17.9	-179	-66.5	-176.3	174.7	-169.8	-4.5	113.5	N28 N32 Y33 Y329	N28-R30 PolarHBondContact O-N 3.36Å; R30-N32 PolarHBondContact O-N 3.12Å; R30-Y33 PolarHBondContact O-N 3.03Å; R30-Y329 HydrophobicContact CG-CE1 4.11Å
31	G	76.8	Confident	72.8	Confident	38 Å²	38	80.6 Å²	80.6	39%	0.392	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-62.4	-32.6	177.3	0	0	0	0	0	113.1	N28 E29 Y33 K332	N28-G31 PolarHBondContact O-N 3.24Å; E29-G31 PolarHBondContact O-N 3.21Å; G31-Y33 VanDerWaalsContact C-N 3.29Å; G31-Y33 PolarHBondContact O-N 3.45Å; G31-K332 PolarHBondContact O-NZ 3.49Å
32	N	91	Very high	75.2	Confident	89 Å²	89	78.3 Å²	78.3	48%	0.476	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-84.6	1.4	-177.7	-66.9	-21	0	0	0	113.9	E29 R30 K332	E29-N32 PolarHBondContact O-N 3.29Å; R30-N32 PolarHBondContact O-N 3.12Å; N32-K332 WeakPolarHBondContact O-CB 3.34Å; N32-K332 WeakPolarHBondContact O-CG 3.27Å; N32-K332 PolarHBondContact O-N 3.3Å
33	Y	95.8	Very high	77.1	Confident	8 Å²	8	80.7 Å²	80.7	3%	0.031	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.1	179.5	-66.4	-100.8	0	0	0	111.3	E29 R30 G31 R310 G311 A313 I316 L330 R331 K332	E29-Y33 VanDerWaalsContact O-CD2 3.24Å; E29-Y33 WeakPolarHBondContact O-CD2 3.47Å; R30-Y33 PolarHBondContact O-N 3.03Å; G31-Y33 VanDerWaalsContact C-N 3.29Å; G31-Y33 PolarHBondContact O-N 3.45Å; Y33-R310 PolarHBondContact OH-O 2.75Å; Y33-G311 PolarHBondContact OH-O 3.44Å; Y33-A313 WeakPolarHBondContact CE1-O 3.41Å; Y33-A313 PolarHBondContact OH-O 3.02Å; Y33-I316 HydrophobicContact CD1-CD1 4.32Å; Y33-I316 HydrophobicContact CE1-CD1 3.82Å; Y33-I316 HydrophobicContact CE1-CG1 4.08Å; Y33-I316 HydrophobicContact CE2-CD1 4.2Å; Y33-L330 CarbonylContact C-O 3.57Å; Y33-L330 VanDerWaalsContact CA-O 3.27Å; Y33-L330 WeakPolarHBondContact CA-O 3.44Å; Y33-L330 VanDerWaalsContact CD1-C 3.49Å; Y33-R331 HydrophobicContact CD1-CB 4.11Å; Y33-R331 VanDerWaalsContact CD1-N 3.33Å; Y33-R331 HydrophobicContact CE1-CB 3.9Å; Y33-R331 PolarHBondContact OH-NH2 2.95Å; Y33-K332 VanDerWaalsContact C-CE 3.47Å; Y33-K332 WeakPolarHBondContact O-CE 3.29Å; Y33-K332 PolarHBondContact O-NZ 3.15Å
34	F	95.4	Very high	79.1	Confident	115 Å²	115	81 Å²	81	50%	0.504	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	118.2	153.1	-62	-67.4	0	0	0	107.6	I36 Y329 L330 K332	F34-I36 HydrophobicContact CB-CD1 4.39Å; F34-I36 HydrophobicContact CB-CG1 4.26Å; F34-Y329 CarbonylContact O-C 3.59Å; F34-Y329 VanDerWaalsContact O-CA 3.29Å; F34-Y329 WeakPolarHBondContact O-CA 3.15Å; F34-L330 PolarHBondContact N-O 3.3Å; F34-L330 PolarHBondContact O-N 3.12Å; F34-K332 HydrophobicContact CD1-CD 4.46Å; F34-K332 HydrophobicContact CD1-CG 4.16Å; F34-K332 HydrophobicContact CD2-CG 3.7Å; F34-K332 HydrophobicContact CE1-CD 4.28Å; F34-K332 HydrophobicContact CE1-CG 4.05Å; F34-K332 HydrophobicContact CE2-CB 4.18Å; F34-K332 HydrophobicContact CE2-CG 3.6Å; F34-K332 HydrophobicContact CG-CG 3.99Å; F34-K332 HydrophobicContact CZ-CB 4.48Å; F34-K332 HydrophobicContact CZ-CD 4.37Å; F34-K332 HydrophobicContact CZ-CG 3.77Å
35	R	95.6	Very high	81.1	Confident	145 Å²	145	77.5 Å²	77.5	55%	0.547	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.5	170	-179.5	-176.7	-174.7	-153.7	9.3	108.2	E327 Y329	R35-E327 IonicContact CZ-OE1 3.44Å; R35-E327 IonicContact CZ-OE2 3.87Å; R35-E327 VanDerWaalsContact CZ-OE2 3.24Å; R35-E327 IonicContact NE-OE1 3.6Å; R35-E327 PolarHBondContact NE-OE1 2.93Å; R35-E327 VanDerWaalsContact NE-OE1 3.15Å; R35-E327 IonicContact NE-OE2 2.76Å; R35-E327 PolarHBondContact NE-OE2 2.73Å; R35-E327 IonicContact NH2-OE1 2.83Å; R35-E327 PolarHBondContact NH2-OE1 3.36Å; R35-E327 IonicContact NH2-OE2 2.63Å; R35-E327 PolarHBondContact NH2-OE2 3.28Å; R35-Y329 HydrophobicContact CB-CD1 4Å; R35-Y329 HydrophobicContact CB-CE1 3.8Å; R35-Y329 HydrophobicContact CG-CD1 4.17Å; R35-Y329 HydrophobicContact CG-CE1 3.6Å; R35-Y329 HydrophobicContact CG-CE2 4.49Å; R35-Y329 PolarHBondContact NE-OH 3.07Å; R35-Y329 VanDerWaalsContact NE-OH 3.14Å
36	I	96.8	Very high	82.2	Confident	18 Å²	18	79.9 Å²	79.9	9%	0.092	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.7	-174.2	-54.2	167.2	0	0	0	107.2	F34 Q40 W41 F44 E327 I328 L330	F34-I36 HydrophobicContact CB-CD1 4.39Å; F34-I36 HydrophobicContact CB-CG1 4.26Å; I36-Q40 HydrophobicContact CG2-CB 3.97Å; I36-W41 HydrophobicContact CB-CE3 4.44Å; I36-W41 HydrophobicContact CD1-CE3 3.86Å; I36-W41 HydrophobicContact CD1-CZ3 3.99Å; I36-W41 HydrophobicContact CG2-CB 3.85Å; I36-W41 HydrophobicContact CG2-CE3 4.19Å; I36-F44 HydrophobicContact CD1-CE2 4.15Å; I36-F44 HydrophobicContact CG2-CE2 3.78Å; I36-E327 WeakPolarHBondContact O-CA 3.48Å; I36-I328 WeakPolarHBondContact CB-O 3.15Å; I36-I328 PolarHBondContact N-O 3.42Å; I36-I328 PolarHBondContact O-N 3.25Å; I36-L330 HydrophobicContact CD1-CB 4.27Å
37	A	96.7	Very high	82.9	Confident	32 Å²	32	83.3 Å²	83.3	26%	0.264	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	149.4	173.7	0	0	0	0	0	110.3	D39 Q40 W41	A37-D39 WeakPolarHBondContact CB-OD1 3.49Å; A37-D39 PolarHBondContact O-N 3.37Å; A37-D39 VanDerWaalsContact O-N 3.16Å; A37-Q40 WeakPolarHBondContact O-CB 3.35Å; A37-Q40 PolarHBondContact O-N 3Å; A37-W41 PolarHBondContact O-N 2.84Å
38	R	96	Very high	83.9	Confident	31 Å²	31	78.1 Å²	78.1	12%	0.117	41%	0.408	C	S	.	.	H	α-helix	trans	-52	-39.8	-177.3	-175.1	-163.6	178	120.1	-8.6	113.3	Q40 W41 Q42 D71 D74 V75 I325 D326	R38-Q40 VanDerWaalsContact C-N 3.28Å; R38-Q40 PolarHBondContact O-N 2.83Å; R38-W41 PolarHBondContact O-N 3.37Å; R38-Q42 PolarHBondContact O-N 2.84Å; R38-Q42 VanDerWaalsContact O-N 3.09Å; R38-D71 IonicContact CZ-OD1 3.98Å; R38-D71 IonicContact NH1-OD1 3.77Å; R38-D71 PolarHBondContact NH1-OD1 2.9Å; R38-D71 IonicContact NH2-OD1 3.31Å; R38-D71 PolarHBondContact NH2-OD1 2.89Å; R38-D74 IonicContact CZ-OD2 2.73Å; R38-D74 IonicContact NE-OD2 2.93Å; R38-D74 PolarHBondContact NE-OD2 3.43Å; R38-D74 IonicContact NH2-OD2 3.38Å; R38-D74 PolarHBondContact NH2-OD2 3.45Å; R38-V75 HydrophobicContact CG-CG2 4.17Å; R38-I325 VanDerWaalsContact CD-O 3.27Å; R38-I325 WeakPolarHBondContact CD-O 3.46Å; R38-I325 PolarHBondContact NH1-O 2.88Å; R38-I325 VanDerWaalsContact NH1-O 3.08Å; R38-D326 WeakPolarHBondContact CB-O 3.38Å; R38-D326 PolarHBondContact N-O 3.47Å
39	D	94.1	Very high	84.6	Confident	101 Å²	101	80 Å²	80	54%	0.54	42%	0.418	S	S	.	.	H	α-helix	trans	-66.9	-27.3	-179.8	63.9	-27.1	0	0	0	113.4	A37 Q42	A37-D39 WeakPolarHBondContact CB-OD1 3.49Å; A37-D39 PolarHBondContact O-N 3.37Å; A37-D39 VanDerWaalsContact O-N 3.16Å; D39-Q42 VanDerWaalsContact O-CG 3.28Å; D39-Q42 WeakPolarHBondContact O-CG 3.18Å; D39-Q42 PolarHBondContact O-NE2 3.45Å; D39-Q42 VanDerWaalsContact O-NE2 3.15Å
40	Q	94.8	Very high	85.2	Confident	109 Å²	109	81.6 Å²	81.6	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-83	-38	170.6	-60.9	178.1	-37	0	0	111.6	I36 A37 R38 Q42 D43	I36-Q40 HydrophobicContact CG2-CB 3.97Å; A37-Q40 WeakPolarHBondContact O-CB 3.35Å; A37-Q40 PolarHBondContact O-N 3Å; R38-Q40 VanDerWaalsContact C-N 3.28Å; R38-Q40 PolarHBondContact O-N 2.83Å; Q40-Q42 PolarHBondContact O-N 3.46Å; Q40-D43 PolarHBondContact O-N 3.28Å
41	W	95.6	Very high	85.9	Confident	8 Å²	8	77.9 Å²	77.9	3%	0.03	42%	0.42	C	S	.	.	H	α-helix	trans	-62	-42.4	-177.4	177.6	-96.6	0	0	0	112.7	I36 A37 R38 D43 F44 V75 P78 L79 L82 I328	I36-W41 HydrophobicContact CB-CE3 4.44Å; I36-W41 HydrophobicContact CD1-CE3 3.86Å; I36-W41 HydrophobicContact CD1-CZ3 3.99Å; I36-W41 HydrophobicContact CG2-CB 3.85Å; I36-W41 HydrophobicContact CG2-CE3 4.19Å; A37-W41 PolarHBondContact O-N 2.84Å; R38-W41 PolarHBondContact O-N 3.37Å; W41-D43 PolarHBondContact O-N 2.77Å; W41-F44 HydrophobicContact CE3-CD2 4.21Å; W41-F44 HydrophobicContact CE3-CE2 4.47Å; W41-F44 WeakPolarHBondContact O-CD2 3.32Å; W41-F44 PolarHBondContact O-N 2.88Å; W41-V75 PolarHBondContact NE1-O 2.95Å; W41-P78 HydrophobicContact CZ2-CB 4.39Å; W41-L79 HydrophobicContact CZ2-CB 4.05Å; W41-L79 HydrophobicContact CZ2-CD1 4.32Å; W41-L82 HydrophobicContact CH2-CD2 3.74Å; W41-L82 HydrophobicContact CZ3-CD2 4.42Å; W41-I328 HydrophobicContact CB-CD1 3.76Å; W41-I328 HydrophobicContact CD2-CB 4.01Å; W41-I328 HydrophobicContact CD2-CD1 3.93Å; W41-I328 HydrophobicContact CD2-CG1 3.78Å; W41-I328 HydrophobicContact CD2-CG2 4.2Å; W41-I328 HydrophobicContact CE3-CB 3.83Å; W41-I328 HydrophobicContact CE3-CG1 4.15Å; W41-I328 HydrophobicContact CE3-CG2 3.79Å; W41-I328 HydrophobicContact CG-CB 4.49Å; W41-I328 HydrophobicContact CG-CD1 3.53Å; W41-I328 HydrophobicContact CG-CG1 3.95Å; W41-I328 HydrophobicContact CH2-CG2 3.81Å; W41-I328 HydrophobicContact CZ2-CG2 4.21Å; W41-I328 HydrophobicContact CZ3-CB 4.17Å; W41-I328 HydrophobicContact CZ3-CG2 3.59Å
42	Q	91.4	Very high	86.3	Confident	63 Å²	63	76.4 Å²	76.4	29%	0.294	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-60.3	-27.2	178.3	68.4	-174.9	2	0	0	113	R38 D39 Q40 F44 D74	R38-Q42 PolarHBondContact O-N 2.84Å; R38-Q42 VanDerWaalsContact O-N 3.09Å; D39-Q42 VanDerWaalsContact O-CG 3.28Å; D39-Q42 WeakPolarHBondContact O-CG 3.18Å; D39-Q42 PolarHBondContact O-NE2 3.45Å; D39-Q42 VanDerWaalsContact O-NE2 3.15Å; Q40-Q42 PolarHBondContact O-N 3.46Å; Q42-F44 VanDerWaalsContact C-N 3.31Å; Q42-F44 PolarHBondContact O-N 3.04Å; Q42-D74 WeakPolarHBondContact CA-O 3.46Å; Q42-D74 HydrophobicContact CB-CB 4.08Å
43	D	90.5	Very high	86	Confident	126 Å²	126	75.7 Å²	75.7	67%	0.674	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-80.4	-10.3	-176.4	-70.4	-14.5	0	0	0	112.9	Q40 W41 Y45	Q40-D43 PolarHBondContact O-N 3.28Å; W41-D43 PolarHBondContact O-N 2.77Å; D43-Y45 PolarHBondContact O-N 3.28Å
44	F	87.5	Confident	85.5	Confident	127 Å²	127	79.6 Å²	79.6	56%	0.557	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-73.5	-5.4	175.2	-66.9	-53.8	0	0	0	113.9	I36 W41 Q42	I36-F44 HydrophobicContact CD1-CE2 4.15Å; I36-F44 HydrophobicContact CG2-CE2 3.78Å; W41-F44 HydrophobicContact CE3-CD2 4.21Å; W41-F44 HydrophobicContact CE3-CE2 4.47Å; W41-F44 WeakPolarHBondContact O-CD2 3.32Å; W41-F44 PolarHBondContact O-N 2.88Å; Q42-F44 VanDerWaalsContact C-N 3.31Å; Q42-F44 PolarHBondContact O-N 3.04Å
45	Y	81.9	Confident	85	Confident	77 Å²	77	77.1 Å²	77.1	30%	0.302	42%	0.421	S	S	.	.	S	Bend	trans	-136.2	128	174.3	-173.7	-96.1	0	0	0	110	D43 P47 V77 H81	D43-Y45 PolarHBondContact O-N 3.28Å; Y45-P47 WeakPolarHBondContact O-CD 3.45Å; Y45-V77 HydrophobicContact CD1-CG1 3.5Å; Y45-V77 VanDerWaalsContact CD1-CG1 3.5Å; Y45-V77 HydrophobicContact CE1-CG1 3.38Å; Y45-V77 HydrophobicContact CG-CG1 4.13Å; Y45-H81 HydrophobicContact CD2-CB 3.9Å; Y45-H81 AromaticContact CD2-CG 3.95Å; Y45-H81 HydrophobicContact CE2-CB 4.34Å
46	T	71.4	Confident	84.6	Confident	122 Å²	122	72.9 Å²	72.9	75%	0.748	41%	0.408	S	S	*	.			trans	-66.7	122.8	175.2	-54.5	0	0	0	0	109.1	G48	T46-G48 PolarHBondContact O-N 2.92Å
47	P	64	Low	84.1	Confident	122 Å²	122	72.1 Å²	72.1	79%	0.792	40%	0.404	S	S	*	.			trans	-52.4	114.4	178.8	-26.9	34.5	0	0	0	111	Y45	Y45-P47 WeakPolarHBondContact O-CD 3.45Å
48	G	67.3	Low	83.5	Confident	47 Å²	47	74.2 Å²	74.2	49%	0.485	41%	0.411	S	S	.	.			trans	-103.6	-167.8	171.3	0	0	0	0	0	110.8	T46 T50	T46-G48 PolarHBondContact O-N 2.92Å; G48-T50 PolarHBondContact O-N 3.01Å
49	N	69	Low	83	Confident	165 Å²	165	79.5 Å²	79.5	88%	0.882	44%	0.441	S	S	*	.			trans	-61.8	123.4	167.4	-70.4	-20.8	0	0	0	108.9
50	T	72	Confident	82.4	Confident	65 Å²	65	75.4 Å²	75.4	40%	0.399	42%	0.419	S	S	.	.			trans	-56.2	124.7	170.4	14.6	0	0	0	0	108.6	G48 L52 M69 A73	G48-T50 PolarHBondContact O-N 3.01Å; T50-L52 PolarHBondContact O-N 3.14Å; T50-L52 VanDerWaalsContact O-N 3.11Å; T50-M69 HydrophobicContact CG2-CE 3.75Å; T50-A73 HydrophobicContact CG2-CB 4.2Å
51	P	79.7	Confident	81.6	Confident	28 Å²	28	73 Å²	73	18%	0.182	41%	0.407	C	S	.	.	S	Bend	trans	-72.1	-4	-175.9	30.7	-37.7	0	0	0	112.5	V77 L132 R135 L136	P51-V77 HydrophobicContact CG-CG2 4.35Å; P51-L132 HydrophobicContact CB-CD2 4.45Å; P51-L132 HydrophobicContact CG-CD2 3.34Å; P51-R135 HydrophobicContact CB-CB 4.24Å; P51-R135 WeakPolarHBondContact O-CD 3.39Å; P51-R135 PolarHBondContact O-NH1 3.14Å; P51-L136 HydrophobicContact CB-CD2 4.22Å; P51-L136 HydrophobicContact CG-CD2 4.27Å; P51-L136 HydrophobicContact CG-CG 4.42Å
52	L	84.8	Confident	80.6	Confident	7 Å²	7	73.5 Å²	73.5	4%	0.037	41%	0.412	C	S	.	.	S	Bend	trans	-121.2	147.2	-178.2	-72.5	166.4	0	0	0	111.9	T50 E56 I60 M69 V72 L128 T131 L132	T50-L52 PolarHBondContact O-N 3.14Å; T50-L52 VanDerWaalsContact O-N 3.11Å; L52-E56 HydrophobicContact CD2-CB 3.96Å; L52-I60 HydrophobicContact CD1-CD1 4.33Å; L52-I60 HydrophobicContact CD2-CD1 4.37Å; L52-M69 WeakPolarHBondContact O-CE 3.45Å; L52-V72 HydrophobicContact CD1-CG1 4.25Å; L52-L128 HydrophobicContact CD1-CD1 3.48Å; L52-L128 VanDerWaalsContact CD1-CD1 3.48Å; L52-T131 HydrophobicContact CD2-CG2 3.56Å; L52-L132 HydrophobicContact CD1-CD2 3.43Å; L52-L132 VanDerWaalsContact CD1-CD2 3.43Å; L52-L132 HydrophobicContact CD1-CG 3.91Å; L52-L132 HydrophobicContact CG-CD2 3.94Å
53	T	84.9	Confident	79.6	Confident	73 Å²	73	74.8 Å²	74.8	45%	0.448	42%	0.42	S	S	.	.			trans	-88.4	161.1	165.3	67.2	0	0	0	0	110.6	A55 E56 L57	T53-A55 VanDerWaalsContact C-N 3.29Å; T53-A55 PolarHBondContact O-N 2.81Å; T53-E56 WeakPolarHBondContact CB-OE2 3.34Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.39Å; T53-E56 PolarHBondContact N-OE2 2.58Å; T53-E56 PolarHBondContact O-N 3.32Å; T53-E56 VanDerWaalsContact OG1-CG 3.23Å; T53-E56 WeakPolarHBondContact OG1-CG 3.07Å; T53-E56 PolarHBondContact OG1-N 3.44Å; T53-E56 PolarHBondContact OG1-OE2 3.5Å; T53-L57 PolarHBondContact O-N 2.95Å; T53-L57 VanDerWaalsContact O-N 3.08Å
54	Q	85.5	Confident	78.6	Confident	90 Å²	90	71.6 Å²	71.6	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-58.7	-41.2	175.8	-176.8	61.6	59.2	0	0	112.1	E56 L57 D58	Q54-E56 VanDerWaalsContact C-N 3.32Å; Q54-E56 PolarHBondContact O-N 2.83Å; Q54-L57 WeakPolarHBondContact O-CB 3.44Å; Q54-L57 PolarHBondContact O-N 2.94Å; Q54-D58 PolarHBondContact NE2-OD1 3.49Å; Q54-D58 PolarHBondContact NE2-OD2 2.93Å; Q54-D58 PolarHBondContact O-N 2.92Å
55	A	86.3	Confident	77.9	Confident	63 Å²	63	66 Å²	66	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-38	180	0	0	0	0	0	112.4	T53 D58 N59	T53-A55 VanDerWaalsContact C-N 3.29Å; T53-A55 PolarHBondContact O-N 2.81Å; A55-D58 PolarHBondContact O-N 3.38Å; A55-N59 PolarHBondContact O-N 3.43Å; A55-N59 PolarHBondContact O-ND2 2.87Å
56	E	85.5	Confident	77.6	Confident	57 Å²	57	67.7 Å²	67.7	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-69.5	-40.1	176	-68.1	158.9	147.8	0	0	111.3	L52 T53 Q54 D58 N59 I60 R135	L52-E56 HydrophobicContact CD2-CB 3.96Å; T53-E56 WeakPolarHBondContact CB-OE2 3.34Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.39Å; T53-E56 PolarHBondContact N-OE2 2.58Å; T53-E56 PolarHBondContact O-N 3.32Å; T53-E56 VanDerWaalsContact OG1-CG 3.23Å; T53-E56 WeakPolarHBondContact OG1-CG 3.07Å; T53-E56 PolarHBondContact OG1-N 3.44Å; T53-E56 PolarHBondContact OG1-OE2 3.5Å; Q54-E56 VanDerWaalsContact C-N 3.32Å; Q54-E56 PolarHBondContact O-N 2.83Å; E56-D58 VanDerWaalsContact C-N 3.27Å; E56-D58 PolarHBondContact O-N 2.96Å; E56-N59 PolarHBondContact O-N 3.17Å; E56-I60 WeakPolarHBondContact O-CG1 3.42Å; E56-I60 PolarHBondContact O-N 3.35Å; E56-R135 IonicContact OE1-CZ 3.77Å; E56-R135 VanDerWaalsContact OE1-CZ 3.31Å; E56-R135 IonicContact OE1-NH1 3.71Å; E56-R135 PolarHBondContact OE1-NH1 2.76Å; E56-R135 VanDerWaalsContact OE1-NH1 3.12Å; E56-R135 IonicContact OE1-NH2 2.71Å; E56-R135 PolarHBondContact OE1-NH2 2.76Å; E56-R135 IonicContact OE2-CZ 3.71Å; E56-R135 IonicContact OE2-NH1 3.63Å; E56-R135 PolarHBondContact OE2-NH1 2.69Å; E56-R135 IonicContact OE2-NH2 2.94Å; E56-R135 PolarHBondContact OE2-NH2 2.76Å
57	L	86.7	Confident	78.3	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-61	-39.3	174.3	-176.1	61.9	0	0	0	111.6	T53 Q54 N59 I60 K61 I67 S68 M69 V72 L128	T53-L57 PolarHBondContact O-N 2.95Å; T53-L57 VanDerWaalsContact O-N 3.08Å; Q54-L57 WeakPolarHBondContact O-CB 3.44Å; Q54-L57 PolarHBondContact O-N 2.94Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.48Å; L57-I60 PolarHBondContact O-N 2.98Å; L57-K61 WeakPolarHBondContact O-CG 3.26Å; L57-K61 PolarHBondContact O-N 2.74Å; L57-I67 HydrophobicContact CD1-CB 4.49Å; L57-I67 HydrophobicContact CD1-CG2 3.94Å; L57-I67 HydrophobicContact CD2-CG2 4.44Å; L57-S68 VanDerWaalsContact CD2-C 3.44Å; L57-M69 HydrophobicContact CB-SD 4.12Å; L57-M69 HydrophobicContact CD2-CG 3.99Å; L57-M69 HydrophobicContact CD2-SD 3.69Å; L57-V72 HydrophobicContact CD1-CG2 3.72Å; L57-V72 HydrophobicContact CD2-CG2 3.95Å; L57-V72 HydrophobicContact CG-CG2 4.45Å; L57-L128 HydrophobicContact CD1-CD1 4.05Å
58	D	85.5	Confident	79.5	Confident	77 Å²	77	59 Å²	59	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-32.9	178.8	-65.4	-27.7	0	0	0	112.5	Q54 A55 E56 I60 K61	Q54-D58 PolarHBondContact NE2-OD1 3.49Å; Q54-D58 PolarHBondContact NE2-OD2 2.93Å; Q54-D58 PolarHBondContact O-N 2.92Å; A55-D58 PolarHBondContact O-N 3.38Å; E56-D58 VanDerWaalsContact C-N 3.27Å; E56-D58 PolarHBondContact O-N 2.96Å; D58-I60 VanDerWaalsContact C-N 3.34Å; D58-K61 WeakPolarHBondContact OD1-CE 2.98Å; D58-K61 IonicContact OD1-NZ 3.05Å; D58-K61 PolarHBondContact OD1-NZ 2.92Å
59	N	84.4	Confident	80.6	Confident	142 Å²	142	58.6 Å²	58.6	76%	0.759	32%	0.322	S	S	*	.	H	α-helix	trans	-72.8	-23.3	173.9	-69.4	-23.5	0	0	0	113.7	A55 E56 L57	A55-N59 PolarHBondContact O-N 3.43Å; A55-N59 PolarHBondContact O-ND2 2.87Å; E56-N59 PolarHBondContact O-N 3.17Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.48Å
60	I	82.3	Confident	81.6	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.072	31%	0.307	C	S	.	.	H	α-helix	trans	-79.6	-32.7	179.9	-70.2	164.9	0	0	0	111.6	L52 E56 L57 D58 S62 R127 L128 T131	L52-I60 HydrophobicContact CD1-CD1 4.33Å; L52-I60 HydrophobicContact CD2-CD1 4.37Å; E56-I60 WeakPolarHBondContact O-CG1 3.42Å; E56-I60 PolarHBondContact O-N 3.35Å; L57-I60 PolarHBondContact O-N 2.98Å; D58-I60 VanDerWaalsContact C-N 3.34Å; I60-S62 PolarHBondContact O-N 3.29Å; I60-R127 HydrophobicContact CG2-CB 3.89Å; I60-R127 PolarHBondContact O-NE 3.24Å; I60-R127 VanDerWaalsContact O-NE 3.11Å; I60-R127 PolarHBondContact O-NH2 3.04Å; I60-L128 HydrophobicContact CD1-CD1 4.13Å; I60-L128 HydrophobicContact CG2-CB 3.99Å; I60-T131 HydrophobicContact CD1-CG2 4.02Å; I60-T131 WeakPolarHBondContact CD1-OG1 3.42Å
61	K	78.4	Confident	82.6	Confident	58 Å²	58	54.8 Å²	54.8	25%	0.252	29%	0.292	S	S	.	.			trans	-58.1	127.7	-175.8	-71.4	169.6	-164.9	179.5	0	110.9	L57 D58 I67	L57-K61 WeakPolarHBondContact O-CG 3.26Å; L57-K61 PolarHBondContact O-N 2.74Å; D58-K61 WeakPolarHBondContact OD1-CE 2.98Å; D58-K61 IonicContact OD1-NZ 3.05Å; D58-K61 PolarHBondContact OD1-NZ 2.92Å; K61-I67 WeakPolarHBondContact CE-O 3.2Å; K61-I67 PolarHBondContact NZ-O 2.78Å
62	S	74.4	Confident	83.2	Confident	20 Å²	20	53.4 Å²	53.4	14%	0.14	28%	0.283	C	S	.	.			trans	-65.8	162	161.7	-52.7	0	0	0	0	110	I60 N64 D65 T124 R127 R259	I60-S62 PolarHBondContact O-N 3.29Å; S62-N64 PolarHBondContact O-N 3.19Å; S62-N64 VanDerWaalsContact O-N 3.14Å; S62-D65 WeakPolarHBondContact CB-OD2 3.36Å; S62-D65 PolarHBondContact O-N 2.99Å; S62-D65 PolarHBondContact OG-OD2 2.84Å; S62-T124 WeakPolarHBondContact CB-OG1 3.39Å; S62-T124 PolarHBondContact N-OG1 3Å; S62-T124 PolarHBondContact OG-OG1 2.84Å; S62-R127 PolarHBondContact OG-NH2 3.25Å; S62-R259 PolarHBondContact OG-NH2 2.65Å
63	L	69.4	Low	83.5	Confident	89 Å²	89	55.1 Å²	55.1	47%	0.466	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	122.8	162.5	-80	147.2	0	0	0	110.5	D65 R259 L263	L63-D65 VanDerWaalsContact C-N 3.33Å; L63-D65 PolarHBondContact O-N 3.27Å; L63-R259 PolarHBondContact O-NE 3.42Å; L63-L263 HydrophobicContact CD1-CD2 3.8Å
64	N	68.8	Low	83.9	Confident	60 Å²	60	52.5 Å²	52.5	32%	0.321	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	4.7	-178.6	-69.1	-8.9	0	0	0	119.2	S62 Q66 E258 R259 S262	S62-N64 PolarHBondContact O-N 3.19Å; S62-N64 VanDerWaalsContact O-N 3.14Å; N64-Q66 PolarHBondContact O-N 3.14Å; N64-E258 PolarHBondContact ND2-O 2.76Å; N64-R259 WeakPolarHBondContact ND2-CA 3.38Å; N64-R259 PolarHBondContact ND2-N 3.28Å; N64-S262 VanDerWaalsContact ND2-CB 3.27Å; N64-S262 WeakPolarHBondContact ND2-CB 3.33Å; N64-S262 PolarHBondContact ND2-OG 3.18Å; N64-S262 PolarHBondContact OD1-OG 3.29Å; N64-S262 VanDerWaalsContact OD1-OG 3.11Å
65	D	73.5	Confident	84.3	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.048	26%	0.262	C	S	.	.			trans	-76.8	123.9	173.6	-87.8	-49.2	0	0	0	111.9	S62 L63 I67 T124 R259 K319	S62-D65 WeakPolarHBondContact CB-OD2 3.36Å; S62-D65 PolarHBondContact O-N 2.99Å; S62-D65 PolarHBondContact OG-OD2 2.84Å; L63-D65 VanDerWaalsContact C-N 3.33Å; L63-D65 PolarHBondContact O-N 3.27Å; D65-I67 PolarHBondContact O-N 3.3Å; D65-T124 HydrophobicContact CB-CG2 4.02Å; D65-T124 VanDerWaalsContact OD2-CB 3.3Å; D65-T124 WeakPolarHBondContact OD2-CB 3.3Å; D65-T124 PolarHBondContact OD2-OG1 2.68Å; D65-R259 IonicContact OD2-NH2 3.62Å; D65-K319 IonicContact OD1-NZ 3.76Å
66	Q	76.7	Confident	84.8	Confident	113 Å²	113	45.4 Å²	45.4	53%	0.528	24%	0.238	S	C	.	.			trans	-95.7	87.6	176	-59.6	-169.5	13.7	0	0	110.1	N64	N64-Q66 PolarHBondContact O-N 3.14Å
67	I	85.7	Confident	85.1	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.062	23%	0.228	C	C	.	.			trans	-110	129.6	168.5	-57.6	-167.4	0	0	0	109.4	L57 K61 D65 D71 V72 Y76 T124 L128	L57-I67 HydrophobicContact CD1-CB 4.49Å; L57-I67 HydrophobicContact CD1-CG2 3.94Å; L57-I67 HydrophobicContact CD2-CG2 4.44Å; K61-I67 WeakPolarHBondContact CE-O 3.2Å; K61-I67 PolarHBondContact NZ-O 2.78Å; D65-I67 PolarHBondContact O-N 3.3Å; I67-D71 HydrophobicContact CG2-CB 3.98Å; I67-V72 HydrophobicContact CG2-CG2 4.39Å; I67-Y76 HydrophobicContact CD1-CE2 4.43Å; I67-T124 HydrophobicContact CD1-CG2 3.3Å; I67-T124 HydrophobicContact CG1-CG2 4.06Å; I67-L128 HydrophobicContact CD1-CD2 4.13Å; I67-L128 HydrophobicContact CG2-CD2 4.09Å
68	S	89.5	Confident	85.5	Confident	48 Å²	48	43.5 Å²	43.5	34%	0.336	23%	0.23	S	C	.	.			trans	-103.5	161.7	176.5	70.3	0	0	0	0	111.8	L57 K70 D71 V72	L57-S68 VanDerWaalsContact CD2-C 3.44Å; S68-K70 PolarHBondContact O-N 2.89Å; S68-K70 PolarHBondContact OG-N 3.15Å; S68-D71 WeakPolarHBondContact CB-OD2 3.29Å; S68-D71 PolarHBondContact N-OD2 3.16Å; S68-D71 WeakPolarHBondContact O-CB 3.29Å; S68-D71 PolarHBondContact O-N 3.18Å; S68-D71 VanDerWaalsContact OG-CG 3.28Å; S68-D71 PolarHBondContact OG-N 2.92Å; S68-D71 VanDerWaalsContact OG-N 3.11Å; S68-D71 PolarHBondContact OG-OD2 2.98Å; S68-V72 PolarHBondContact O-N 2.93Å; S68-V72 VanDerWaalsContact O-N 3.13Å
69	M	89.4	Confident	86	Confident	40 Å²	40	39.9 Å²	39.9	20%	0.197	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-27.5	169.9	-74.7	-60.2	-59.4	0	0	112.4	T50 L52 L57 V72 A73	T50-M69 HydrophobicContact CG2-CE 3.75Å; L52-M69 WeakPolarHBondContact O-CE 3.45Å; L57-M69 HydrophobicContact CB-SD 4.12Å; L57-M69 HydrophobicContact CD2-CG 3.99Å; L57-M69 HydrophobicContact CD2-SD 3.69Å; M69-V72 WeakPolarHBondContact O-CB 3.43Å; M69-V72 PolarHBondContact O-N 3.24Å; M69-A73 PolarHBondContact O-N 3.22Å
70	K	90.5	Very high	86.5	Confident	133 Å²	133	33.1 Å²	33.1	58%	0.578	17%	0.174	S	C	*	.	H	α-helix	trans	-67.7	-39.6	172.8	-175.5	175.5	-179.3	-175	0	111.6	S68 V72 A73 D74	S68-K70 PolarHBondContact O-N 2.89Å; S68-K70 PolarHBondContact OG-N 3.15Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 3.26Å; K70-A73 PolarHBondContact O-N 2.84Å; K70-D74 WeakPolarHBondContact CE-OD2 3.48Å; K70-D74 WeakPolarHBondContact CG-OD2 3.24Å; K70-D74 VanDerWaalsContact O-CB 3.24Å; K70-D74 WeakPolarHBondContact O-CB 3.36Å; K70-D74 PolarHBondContact O-N 2.87Å
71	D	92.5	Very high	87	Confident	16 Å²	16	36.3 Å²	36.3	9%	0.086	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-39.8	173.7	-58.7	-56	0	0	0	111.8	R38 I67 S68 V75 Y76	R38-D71 IonicContact CZ-OD1 3.98Å; R38-D71 IonicContact NH1-OD1 3.77Å; R38-D71 PolarHBondContact NH1-OD1 2.9Å; R38-D71 IonicContact NH2-OD1 3.31Å; R38-D71 PolarHBondContact NH2-OD1 2.89Å; I67-D71 HydrophobicContact CG2-CB 3.98Å; S68-D71 WeakPolarHBondContact CB-OD2 3.29Å; S68-D71 PolarHBondContact N-OD2 3.16Å; S68-D71 WeakPolarHBondContact O-CB 3.29Å; S68-D71 PolarHBondContact O-N 3.18Å; S68-D71 VanDerWaalsContact OG-CG 3.28Å; S68-D71 PolarHBondContact OG-N 2.92Å; S68-D71 VanDerWaalsContact OG-N 3.11Å; S68-D71 PolarHBondContact OG-OD2 2.98Å; D71-V75 WeakPolarHBondContact O-CB 3.5Å; D71-V75 PolarHBondContact O-N 3.21Å; D71-Y76 HydrophobicContact CB-CE2 4.46Å; D71-Y76 WeakPolarHBondContact O-CD2 3.46Å; D71-Y76 PolarHBondContact O-N 2.54Å
72	V	92.1	Very high	87.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-57.3	-51.7	174.8	178.3	0	0	0	0	110.6	L52 L57 I67 S68 M69 K70 Y76 V77 L128 L132	L52-V72 HydrophobicContact CD1-CG1 4.25Å; L57-V72 HydrophobicContact CD1-CG2 3.72Å; L57-V72 HydrophobicContact CD2-CG2 3.95Å; L57-V72 HydrophobicContact CG-CG2 4.45Å; I67-V72 HydrophobicContact CG2-CG2 4.39Å; S68-V72 PolarHBondContact O-N 2.93Å; S68-V72 VanDerWaalsContact O-N 3.13Å; M69-V72 WeakPolarHBondContact O-CB 3.43Å; M69-V72 PolarHBondContact O-N 3.24Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 3.26Å; V72-Y76 PolarHBondContact O-N 3.47Å; V72-V77 HydrophobicContact CG1-CG2 4.27Å; V72-V77 WeakPolarHBondContact O-CG2 3.37Å; V72-V77 PolarHBondContact O-N 3.22Å; V72-L128 HydrophobicContact CG2-CD1 4.14Å; V72-L128 HydrophobicContact CG2-CD2 4.17Å; V72-L132 HydrophobicContact CG1-CD1 4.38Å; V72-L132 HydrophobicContact CG1-CD2 4.06Å
73	A	91.3	Very high	88.9	Confident	42 Å²	42	33.7 Å²	33.7	35%	0.347	18%	0.176	S	C	.	.	I	π-helix	trans	-67.9	-49.4	-178.5	0	0	0	0	0	112.7	T50 M69 K70 P78	T50-A73 HydrophobicContact CG2-CB 4.2Å; M69-A73 PolarHBondContact O-N 3.22Å; K70-A73 PolarHBondContact O-N 2.84Å; A73-P78 VanDerWaalsContact O-CD 3.27Å; A73-P78 WeakPolarHBondContact O-CD 3.46Å
74	D	93	Very high	90.1	Very high	18 Å²	18	32.1 Å²	32.1	10%	0.096	17%	0.166	C	C	.	.	I	π-helix	trans	-73.1	-32.3	-172.8	-62.1	-1.8	0	0	0	112.3	R38 Q42 K70	R38-D74 IonicContact CZ-OD2 2.73Å; R38-D74 IonicContact NE-OD2 2.93Å; R38-D74 PolarHBondContact NE-OD2 3.43Å; R38-D74 IonicContact NH2-OD2 3.38Å; R38-D74 PolarHBondContact NH2-OD2 3.45Å; Q42-D74 WeakPolarHBondContact CA-O 3.46Å; Q42-D74 HydrophobicContact CB-CB 4.08Å; K70-D74 WeakPolarHBondContact CE-OD2 3.48Å; K70-D74 WeakPolarHBondContact CG-OD2 3.24Å; K70-D74 VanDerWaalsContact O-CB 3.24Å; K70-D74 WeakPolarHBondContact O-CB 3.36Å; K70-D74 PolarHBondContact O-N 2.87Å
75	V	95.4	Very high	91.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-118.4	-56.2	-169.5	-175.7	0	0	0	0	112.9	R38 W41 D71 P78 L79 I325	R38-V75 HydrophobicContact CG-CG2 4.17Å; W41-V75 PolarHBondContact NE1-O 2.95Å; D71-V75 WeakPolarHBondContact O-CB 3.5Å; D71-V75 PolarHBondContact O-N 3.21Å; V75-P78 WeakPolarHBondContact O-CD 3.12Å; V75-L79 WeakPolarHBondContact O-CB 3.43Å; V75-L79 PolarHBondContact O-N 3.15Å; V75-L79 VanDerWaalsContact O-N 3.09Å; V75-I325 HydrophobicContact CG1-CB 4.41Å; V75-I325 HydrophobicContact CG1-CD1 3.88Å; V75-I325 HydrophobicContact CG1-CG2 4.11Å; V75-I325 HydrophobicContact CG2-CB 4.27Å; V75-I325 HydrophobicContact CG2-CG2 4.4Å
76	Y	95	Very high	92.5	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.02	18%	0.183	C	C	.	.	I	π-helix	trans	-78.8	-33.1	-166.9	-67.9	-87.7	0	0	0	113.5	I67 D71 V72 L79 C80 T125 L128 L129 L132 I325	I67-Y76 HydrophobicContact CD1-CE2 4.43Å; D71-Y76 HydrophobicContact CB-CE2 4.46Å; D71-Y76 WeakPolarHBondContact O-CD2 3.46Å; D71-Y76 PolarHBondContact O-N 2.54Å; V72-Y76 PolarHBondContact O-N 3.47Å; Y76-L79 HydrophobicContact CD1-CD2 4.41Å; Y76-L79 WeakPolarHBondContact O-CB 3.46Å; Y76-L79 PolarHBondContact O-N 3.45Å; Y76-C80 PolarHBondContact O-N 2.99Å; Y76-C80 PolarHBondContact O-SG 3.09Å; Y76-C80 VanDerWaalsContact O-SG 3.36Å; Y76-T125 HydrophobicContact CE1-CG2 3.81Å; Y76-T125 PolarHBondContact OH-OG1 3.46Å; Y76-L128 HydrophobicContact CD1-CD2 3.74Å; Y76-L128 HydrophobicContact CD1-CG 4.16Å; Y76-L128 HydrophobicContact CD2-CD2 3.41Å; Y76-L128 VanDerWaalsContact CD2-CD2 3.41Å; Y76-L128 HydrophobicContact CD2-CG 4.5Å; Y76-L128 HydrophobicContact CE1-CD2 3.85Å; Y76-L128 HydrophobicContact CE1-CG 4.48Å; Y76-L128 HydrophobicContact CE2-CD2 3.54Å; Y76-L128 HydrophobicContact CG-CD2 3.51Å; Y76-L128 HydrophobicContact CG-CG 4.16Å; Y76-L129 HydrophobicContact CD1-CD2 4.26Å; Y76-L129 HydrophobicContact CD1-CG 4.38Å; Y76-L132 VanDerWaalsContact CB-CD1 3.44Å; Y76-L132 HydrophobicContact CG-CD1 4.42Å; Y76-I325 HydrophobicContact CE2-CD1 4.15Å
77	V	92.8	Very high	93.5	Very high	12 Å²	12	31.1 Å²	31.1	7%	0.073	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-49.3	174	171.1	0	0	0	0	111.7	Y45 P51 V72 L79 C80 H81	Y45-V77 HydrophobicContact CD1-CG1 3.5Å; Y45-V77 VanDerWaalsContact CD1-CG1 3.5Å; Y45-V77 HydrophobicContact CE1-CG1 3.38Å; Y45-V77 HydrophobicContact CG-CG1 4.13Å; P51-V77 HydrophobicContact CG-CG2 4.35Å; V72-V77 HydrophobicContact CG1-CG2 4.27Å; V72-V77 WeakPolarHBondContact O-CG2 3.37Å; V72-V77 PolarHBondContact O-N 3.22Å; V77-L79 PolarHBondContact O-N 3.43Å; V77-C80 PolarHBondContact O-N 3.37Å; V77-H81 PolarHBondContact O-N 3.41Å; V77-H81 VanDerWaalsContact O-N 3.07Å
78	P	94.6	Very high	94	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.039	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-36	171.2	-21.8	28	0	0	0	113	W41 A73 V75 H81 L82	W41-P78 HydrophobicContact CZ2-CB 4.39Å; A73-P78 VanDerWaalsContact O-CD 3.27Å; A73-P78 WeakPolarHBondContact O-CD 3.46Å; V75-P78 WeakPolarHBondContact O-CD 3.12Å; P78-H81 WeakPolarHBondContact O-CB 3.28Å; P78-H81 PolarHBondContact O-N 3.42Å; P78-L82 PolarHBondContact O-N 2.88Å
79	L	96.7	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-44	175	-179.5	58	0	0	0	112.3	W41 V75 Y76 V77 H81 L82 I83 L129 I243 I315 L317	W41-L79 HydrophobicContact CZ2-CB 4.05Å; W41-L79 HydrophobicContact CZ2-CD1 4.32Å; V75-L79 WeakPolarHBondContact O-CB 3.43Å; V75-L79 PolarHBondContact O-N 3.15Å; V75-L79 VanDerWaalsContact O-N 3.09Å; Y76-L79 HydrophobicContact CD1-CD2 4.41Å; Y76-L79 WeakPolarHBondContact O-CB 3.46Å; Y76-L79 PolarHBondContact O-N 3.45Å; V77-L79 PolarHBondContact O-N 3.43Å; L79-H81 VanDerWaalsContact C-N 3.28Å; L79-H81 PolarHBondContact O-N 3.39Å; L79-L82 WeakPolarHBondContact O-CB 3.34Å; L79-L82 PolarHBondContact O-N 2.92Å; L79-I83 HydrophobicContact CG-CD1 4.16Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.19Å; L79-L129 HydrophobicContact CD2-CD1 4.25Å; L79-L129 HydrophobicContact CD2-CD2 3.9Å; L79-L129 HydrophobicContact CG-CD2 4.16Å; L79-I243 HydrophobicContact CD1-CD1 4.46Å; L79-I243 HydrophobicContact CD2-CD1 4.31Å; L79-I315 HydrophobicContact CD1-CD1 3.57Å; L79-I315 HydrophobicContact CD1-CG2 4.34Å; L79-L317 HydrophobicContact CD2-CD1 4.01Å; L79-L317 HydrophobicContact CD2-CD2 4.33Å
80	C	95.1	Very high	94.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-37.4	173.4	-70.9	0	0	0	0	112.3	Y76 V77 I83 H84 L132 L133 L136	Y76-C80 PolarHBondContact O-N 2.99Å; Y76-C80 PolarHBondContact O-SG 3.09Å; Y76-C80 VanDerWaalsContact O-SG 3.36Å; V77-C80 PolarHBondContact O-N 3.37Å; C80-I83 PolarHBondContact O-N 3.45Å; C80-H84 PolarHBondContact O-N 3.36Å; C80-L132 VanDerWaalsContact SG-CB 3.5Å; C80-L133 HydrophobicContact CB-CD2 4.09Å; C80-L136 HydrophobicContact CB-CD1 3.57Å
81	H	92.6	Very high	94.9	Very high	81 Å²	81	33.8 Å²	33.8	38%	0.375	17%	0.17	S	C	.	.	H	α-helix	trans	-65.2	-41.2	174	-178.4	-115.5	0	0	0	111.8	Y45 V77 P78 L79 H84 L85	Y45-H81 HydrophobicContact CD2-CB 3.9Å; Y45-H81 AromaticContact CD2-CG 3.95Å; Y45-H81 HydrophobicContact CE2-CB 4.34Å; V77-H81 PolarHBondContact O-N 3.41Å; V77-H81 VanDerWaalsContact O-N 3.07Å; P78-H81 WeakPolarHBondContact O-CB 3.28Å; P78-H81 PolarHBondContact O-N 3.42Å; L79-H81 VanDerWaalsContact C-N 3.28Å; L79-H81 PolarHBondContact O-N 3.39Å; H81-H84 VanDerWaalsContact O-CB 3.24Å; H81-H84 WeakPolarHBondContact O-CB 3.36Å; H81-H84 PolarHBondContact O-N 3.1Å; H81-L85 PolarHBondContact O-N 3.17Å
82	L	95.7	Very high	95.1	Very high	24 Å²	24	36.2 Å²	36.2	13%	0.126	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-44.5	173.1	-179.2	61	0	0	0	111.8	W41 P78 L79 H84 L85 Y86 I315 L330	W41-L82 HydrophobicContact CH2-CD2 3.74Å; W41-L82 HydrophobicContact CZ3-CD2 4.42Å; P78-L82 PolarHBondContact O-N 2.88Å; L79-L82 WeakPolarHBondContact O-CB 3.34Å; L79-L82 PolarHBondContact O-N 2.92Å; L82-H84 PolarHBondContact O-N 3.21Å; L82-L85 HydrophobicContact CD1-CD1 4.3Å; L82-L85 WeakPolarHBondContact O-CB 3.37Å; L82-L85 PolarHBondContact O-N 2.87Å; L82-Y86 HydrophobicContact CD1-CD2 4.12Å; L82-Y86 HydrophobicContact CD1-CE2 3.82Å; L82-Y86 HydrophobicContact CD2-CE2 4.33Å; L82-Y86 HydrophobicContact CG-CD2 4.08Å; L82-Y86 HydrophobicContact CG-CE2 3.89Å; L82-Y86 WeakPolarHBondContact O-CD2 3.37Å; L82-Y86 PolarHBondContact O-N 3.22Å; L82-I315 HydrophobicContact CD2-CD1 3.64Å; L82-I315 HydrophobicContact CD2-CG1 4.37Å; L82-I315 HydrophobicContact CG-CD1 4.45Å; L82-L330 HydrophobicContact CD2-CD1 3.83Å; L82-L330 HydrophobicContact CD2-CD2 4.2Å
83	I	96.9	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-54.5	-42.5	174.1	-69.7	163.6	0	0	0	110.1	L79 C80 L85 Y86 M87 F110 I112 L129 L133 L241	L79-I83 HydrophobicContact CG-CD1 4.16Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.19Å; C80-I83 PolarHBondContact O-N 3.45Å; I83-L85 VanDerWaalsContact C-N 3.27Å; I83-L85 PolarHBondContact O-N 3.25Å; I83-Y86 PolarHBondContact O-N 3.18Å; I83-M87 HydrophobicContact CG2-CG 4.23Å; I83-M87 HydrophobicContact CG2-SD 3.98Å; I83-M87 VanDerWaalsContact O-CG 3.29Å; I83-M87 WeakPolarHBondContact O-CG 2.93Å; I83-M87 PolarHBondContact O-N 3.16Å; I83-F110 HydrophobicContact CG2-CE1 4.48Å; I83-I112 HydrophobicContact CD1-CD1 4.2Å; I83-I112 HydrophobicContact CG1-CD1 4.48Å; I83-I112 HydrophobicContact CG2-CD1 3.87Å; I83-L129 HydrophobicContact CD1-CD2 3.95Å; I83-L133 HydrophobicContact CB-CD2 4.33Å; I83-L133 HydrophobicContact CD1-CD1 4.42Å; I83-L133 HydrophobicContact CD1-CD2 4.23Å; I83-L133 HydrophobicContact CG2-CD2 3.93Å; I83-L241 HydrophobicContact CB-CD2 4.48Å; I83-L241 HydrophobicContact CD1-CD2 4.5Å; I83-L241 HydrophobicContact CG1-CD2 3.57Å
84	H	94.6	Very high	95.5	Very high	55 Å²	55	38.9 Å²	38.9	26%	0.255	20%	0.196	S	C	.	.	H	α-helix	trans	-56.4	-40.3	175.7	-163.8	63.2	0	0	0	113.1	C80 H81 L82 M87 K88 F137	C80-H84 PolarHBondContact O-N 3.36Å; H81-H84 VanDerWaalsContact O-CB 3.24Å; H81-H84 WeakPolarHBondContact O-CB 3.36Å; H81-H84 PolarHBondContact O-N 3.1Å; L82-H84 PolarHBondContact O-N 3.21Å; H84-M87 PolarHBondContact O-N 3.48Å; H84-K88 WeakPolarHBondContact NE2-CE 3.29Å; H84-K88 WeakPolarHBondContact O-CG 3.46Å; H84-K88 PolarHBondContact O-N 3.06Å; H84-F137 HydrophobicContact CB-CE1 4.06Å; H84-F137 HydrophobicContact CB-CE2 4.48Å; H84-F137 HydrophobicContact CB-CZ 3.6Å; H84-F137 AromaticContact CG-CE1 3.84Å; H84-F137 AromaticContact CG-CZ 3.84Å; H84-F137 AromaticContact ND1-CD1 3.9Å; H84-F137 AromaticContact ND1-CE1 3.31Å; H84-F137 VanDerWaalsContact ND1-CE1 3.31Å; H84-F137 WeakPolarHBondContact ND1-CE1 3.23Å; H84-F137 AromaticContact ND1-CZ 3.49Å; H84-F137 WeakPolarHBondContact ND1-CZ 3.4Å
85	L	95.4	Very high	95.6	Very high	92 Å²	92	43.4 Å²	43.4	48%	0.482	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-44.1	178.7	-61.1	175.9	0	0	0	111.3	H81 L82 I83 M87 K88 D89	H81-L85 PolarHBondContact O-N 3.17Å; L82-L85 HydrophobicContact CD1-CD1 4.3Å; L82-L85 WeakPolarHBondContact O-CB 3.37Å; L82-L85 PolarHBondContact O-N 2.87Å; I83-L85 VanDerWaalsContact C-N 3.27Å; I83-L85 PolarHBondContact O-N 3.25Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 PolarHBondContact O-N 3.06Å; L85-K88 PolarHBondContact O-N 3.09Å; L85-D89 PolarHBondContact O-N 3.28Å; L85-D89 VanDerWaalsContact O-N 3.12Å
86	Y	97	Very high	95.7	Very high	65 Å²	65	46.2 Å²	46.2	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-42.9	174.2	-83.5	-92.2	0	0	0	111.7	L82 I83 K88 D89 F90 L241	L82-Y86 HydrophobicContact CD1-CD2 4.12Å; L82-Y86 HydrophobicContact CD1-CE2 3.82Å; L82-Y86 HydrophobicContact CD2-CE2 4.33Å; L82-Y86 HydrophobicContact CG-CD2 4.08Å; L82-Y86 HydrophobicContact CG-CE2 3.89Å; L82-Y86 WeakPolarHBondContact O-CD2 3.37Å; L82-Y86 PolarHBondContact O-N 3.22Å; I83-Y86 PolarHBondContact O-N 3.18Å; Y86-K88 VanDerWaalsContact C-N 3.34Å; Y86-K88 PolarHBondContact O-N 3.3Å; Y86-D89 PolarHBondContact O-N 2.88Å; Y86-F90 WeakPolarHBondContact O-CB 3.34Å; Y86-F90 PolarHBondContact O-N 3.49Å; Y86-L241 HydrophobicContact CD1-CD1 3.87Å; Y86-L241 HydrophobicContact CD2-CD1 3.92Å; Y86-L241 HydrophobicContact CE1-CD1 3.77Å; Y86-L241 HydrophobicContact CE2-CD1 3.81Å; Y86-L241 HydrophobicContact CG-CD1 3.96Å
87	M	96.9	Very high	95.7	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-41.1	177	-69	-179.7	69.4	0	0	112.2	I83 H84 L85 D89 F90 E91 F110 F137 I216	I83-M87 HydrophobicContact CG2-CG 4.23Å; I83-M87 HydrophobicContact CG2-SD 3.98Å; I83-M87 VanDerWaalsContact O-CG 3.29Å; I83-M87 WeakPolarHBondContact O-CG 2.93Å; I83-M87 PolarHBondContact O-N 3.16Å; H84-M87 PolarHBondContact O-N 3.48Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 PolarHBondContact O-N 3.06Å; M87-D89 PolarHBondContact O-N 3.37Å; M87-F90 PolarHBondContact O-N 2.72Å; M87-E91 WeakPolarHBondContact O-CB 3.2Å; M87-E91 VanDerWaalsContact O-CG 3.3Å; M87-E91 WeakPolarHBondContact O-CG 3.31Å; M87-E91 PolarHBondContact O-N 2.93Å; M87-F110 HydrophobicContact CB-CD2 4.46Å; M87-F110 HydrophobicContact CE-CB 4.43Å; M87-F110 HydrophobicContact CG-CB 4.47Å; M87-F110 HydrophobicContact CG-CD1 3.77Å; M87-F110 HydrophobicContact CG-CD2 3.88Å; M87-F110 HydrophobicContact CG-CE1 3.88Å; M87-F110 HydrophobicContact CG-CE2 3.99Å; M87-F110 HydrophobicContact CG-CG 3.77Å; M87-F110 HydrophobicContact CG-CZ 4.01Å; M87-F110 HydrophobicContact SD-CD1 4.5Å; M87-F137 HydrophobicContact SD-CD2 4.35Å; M87-F137 HydrophobicContact SD-CE2 4.07Å; M87-I216 HydrophobicContact CE-CD1 3.62Å; M87-I216 HydrophobicContact CE-CG1 3.6Å; M87-I216 HydrophobicContact SD-CD1 3.66Å; M87-I216 HydrophobicContact SD-CG1 4.11Å
88	K	96.3	Very high	95.9	Very high	96 Å²	96	51.2 Å²	51.2	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-40	177.1	-74.2	-73.6	160.1	-140.6	0	112.6	H84 L85 Y86 E91 S92	H84-K88 WeakPolarHBondContact NE2-CE 3.29Å; H84-K88 WeakPolarHBondContact O-CG 3.46Å; H84-K88 PolarHBondContact O-N 3.06Å; L85-K88 PolarHBondContact O-N 3.09Å; Y86-K88 VanDerWaalsContact C-N 3.34Å; Y86-K88 PolarHBondContact O-N 3.3Å; K88-E91 IonicContact NZ-OE1 3.63Å; K88-E91 IonicContact NZ-OE2 3.5Å; K88-E91 PolarHBondContact NZ-OE2 2.94Å; K88-S92 WeakPolarHBondContact O-CB 3.44Å; K88-S92 PolarHBondContact O-N 2.9Å
89	D	96.5	Very high	96	Very high	111 Å²	111	56.4 Å²	56.4	59%	0.594	29%	0.289	S	S	*	.	H	α-helix	trans	-65.5	-45	175.5	-170.1	54.9	0	0	0	111.4	L85 Y86 M87 E91 S92 L93	L85-D89 PolarHBondContact O-N 3.28Å; L85-D89 VanDerWaalsContact O-N 3.12Å; Y86-D89 PolarHBondContact O-N 2.88Å; M87-D89 PolarHBondContact O-N 3.37Å; D89-E91 PolarHBondContact O-N 2.6Å; D89-S92 WeakPolarHBondContact O-CB 3.29Å; D89-S92 PolarHBondContact O-N 3.05Å; D89-L93 WeakPolarHBondContact O-CB 3.19Å; D89-L93 PolarHBondContact O-N 3.09Å
90	F	96.2	Very high	96	Very high	31 Å²	31	64.2 Å²	64.2	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-46.2	174.5	171.2	-97.8	0	0	0	113	Y86 M87 L93 T94 M107 P108 F110 D240	Y86-F90 WeakPolarHBondContact O-CB 3.34Å; Y86-F90 PolarHBondContact O-N 3.49Å; M87-F90 PolarHBondContact O-N 2.72Å; F90-L93 PolarHBondContact O-N 2.84Å; F90-T94 WeakPolarHBondContact O-CB 3.33Å; F90-T94 PolarHBondContact O-N 2.89Å; F90-T94 PolarHBondContact O-OG1 2.89Å; F90-M107 HydrophobicContact CD1-SD 4.12Å; F90-M107 HydrophobicContact CE1-CG 4.35Å; F90-M107 HydrophobicContact CE1-SD 3.72Å; F90-P108 WeakPolarHBondContact CE1-O 3.39Å; F90-P108 HydrophobicContact CE2-CG 4.41Å; F90-P108 HydrophobicContact CZ-CB 4.21Å; F90-P108 HydrophobicContact CZ-CG 3.7Å; F90-P108 WeakPolarHBondContact CZ-O 3.29Å; F90-F110 HydrophobicContact CB-CD2 3.87Å; F90-F110 HydrophobicContact CB-CE2 3.84Å; F90-F110 AromaticContact CD1-CD2 3.77Å; F90-F110 HydrophobicContact CD1-CD2 3.77Å; F90-F110 HydrophobicContact CD2-CD2 4.32Å; F90-F110 HydrophobicContact CE1-CD2 4.34Å; F90-F110 AromaticContact CG-CD2 3.73Å; F90-F110 HydrophobicContact CG-CD2 3.73Å; F90-F110 HydrophobicContact CG-CE2 4.15Å; F90-D240 HydrophobicContact CD2-CB 4.34Å; F90-D240 WeakPolarHBondContact CD2-OD1 3.48Å; F90-D240 WeakPolarHBondContact CE2-OD1 3.44Å
91	E	95.7	Very high	96.1	Very high	51 Å²	51	68 Å²	68	24%	0.238	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-47.5	176	-75.9	171.5	-173.2	0	0	111	M87 K88 D89 T94 L95 M107	M87-E91 WeakPolarHBondContact O-CB 3.2Å; M87-E91 VanDerWaalsContact O-CG 3.3Å; M87-E91 WeakPolarHBondContact O-CG 3.31Å; M87-E91 PolarHBondContact O-N 2.93Å; K88-E91 IonicContact NZ-OE1 3.63Å; K88-E91 IonicContact NZ-OE2 3.5Å; K88-E91 PolarHBondContact NZ-OE2 2.94Å; D89-E91 PolarHBondContact O-N 2.6Å; E91-T94 PolarHBondContact O-N 2.9Å; E91-L95 PolarHBondContact O-N 2.96Å; E91-M107 HydrophobicContact CB-CE 3.97Å; E91-M107 HydrophobicContact CG-CE 4Å; E91-M107 HydrophobicContact CG-SD 4.28Å
92	S	96.8	Very high	96.3	Very high	67 Å²	67	72.7 Å²	72.7	47%	0.469	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-45.9	-180	-179.6	0	0	0	0	112.3	K88 D89 L95 S96	K88-S92 WeakPolarHBondContact O-CB 3.44Å; K88-S92 PolarHBondContact O-N 2.9Å; D89-S92 WeakPolarHBondContact O-CB 3.29Å; D89-S92 PolarHBondContact O-N 3.05Å; S92-L95 PolarHBondContact O-N 3.23Å; S92-S96 WeakPolarHBondContact O-CB 3.34Å; S92-S96 PolarHBondContact O-N 3.38Å; S92-S96 PolarHBondContact O-OG 2.71Å
93	L	96	Very high	96.2	Very high	87 Å²	87	79.4 Å²	79.4	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-42.8	178.1	179.4	59.7	0	0	0	111.4	D89 F90 S96 K97	D89-L93 WeakPolarHBondContact O-CB 3.19Å; D89-L93 PolarHBondContact O-N 3.09Å; F90-L93 PolarHBondContact O-N 2.84Å; L93-S96 PolarHBondContact O-N 2.79Å; L93-K97 WeakPolarHBondContact O-CG 3.34Å; L93-K97 PolarHBondContact O-N 2.98Å
94	T	95.5	Very high	96	Very high	10 Å²	10	88.9 Å²	88.9	6%	0.061	43%	0.426	C	S	.	.	H	α-helix	trans	-62.7	-44.4	178.7	-62.8	0	0	0	0	111.5	F90 E91 S96 K97 G98 V105 M107	F90-T94 WeakPolarHBondContact O-CB 3.33Å; F90-T94 PolarHBondContact O-N 2.89Å; F90-T94 PolarHBondContact O-OG1 2.89Å; E91-T94 PolarHBondContact O-N 2.9Å; T94-S96 PolarHBondContact O-N 2.86Å; T94-K97 PolarHBondContact O-N 3.12Å; T94-G98 PolarHBondContact O-N 3.19Å; T94-G98 VanDerWaalsContact O-N 3.12Å; T94-V105 HydrophobicContact CG2-CG1 4.03Å; T94-M107 HydrophobicContact CG2-CE 4.04Å; T94-M107 HydrophobicContact CG2-SD 3.67Å
95	L	95.7	Very high	95.8	Very high	113 Å²	113	88.6 Å²	88.6	59%	0.592	43%	0.428	S	S	*	.	H	α-helix	trans	-62.1	-44.4	175.2	-178.9	63.1	0	0	0	111.5	E91 S92 K97 G98 L99	E91-L95 PolarHBondContact O-N 2.96Å; S92-L95 PolarHBondContact O-N 3.23Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 2.94Å; L95-G98 PolarHBondContact O-N 3.41Å; L95-G98 VanDerWaalsContact O-N 3.1Å; L95-L99 HydrophobicContact CG-CD1 4.33Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 3.32Å
96	S	97	Very high	95.6	Very high	60 Å²	60	89.1 Å²	89.1	42%	0.42	43%	0.427	S	S	.	.	H	α-helix	trans	-61.1	-39.4	178.9	-61.6	0	0	0	0	112.3	S92 L93 T94 L99 F100	S92-S96 WeakPolarHBondContact O-CB 3.34Å; S92-S96 PolarHBondContact O-N 3.38Å; S92-S96 PolarHBondContact O-OG 2.71Å; L93-S96 PolarHBondContact O-N 2.79Å; T94-S96 PolarHBondContact O-N 2.86Å; S96-L99 PolarHBondContact O-N 2.86Å; S96-F100 WeakPolarHBondContact O-CB 3.25Å; S96-F100 PolarHBondContact O-N 3.24Å
97	K	96.2	Very high	95.4	Very high	114 Å²	114	89.9 Å²	89.9	50%	0.496	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-43.9	172.1	-73.3	172.4	-179.2	171.6	0	111.6	L93 T94 L95 F100 L101	L93-K97 WeakPolarHBondContact O-CG 3.34Å; L93-K97 PolarHBondContact O-N 2.98Å; T94-K97 PolarHBondContact O-N 3.12Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 2.94Å; K97-F100 PolarHBondContact O-N 2.9Å; K97-L101 WeakPolarHBondContact O-CB 3.48Å; K97-L101 VanDerWaalsContact O-CG 3.23Å; K97-L101 WeakPolarHBondContact O-CG 3.28Å; K97-L101 PolarHBondContact O-N 3.33Å
98	G	96	Very high	95.4	Very high	8 Å²	8	91.1 Å²	91.1	8%	0.082	44%	0.442	C	S	.	.	H	α-helix	trans	-61	-45.2	176.2	0	0	0	0	0	112.8	T94 L95 L101 H102 R103	T94-G98 PolarHBondContact O-N 3.19Å; T94-G98 VanDerWaalsContact O-N 3.12Å; L95-G98 PolarHBondContact O-N 3.41Å; L95-G98 VanDerWaalsContact O-N 3.1Å; G98-L101 PolarHBondContact O-N 3.08Å; G98-H102 PolarHBondContact O-N 2.97Å; G98-H102 VanDerWaalsContact O-N 3.1Å; G98-R103 CarbonylContact C-O 3.43Å; G98-R103 WeakPolarHBondContact CA-O 3.28Å; G98-R103 PolarHBondContact O-N 3Å; G98-R103 VanDerWaalsContact O-N 3.14Å
99	L	96.5	Very high	95.4	Very high	115 Å²	115	87 Å²	87	60%	0.602	43%	0.425	S	S	*	.	H	α-helix	trans	-61.3	-46.3	176.2	-69.1	172.3	0	0	0	112	L95 S96 L101 H102	L95-L99 HydrophobicContact CG-CD1 4.33Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 3.32Å; S96-L99 PolarHBondContact O-N 2.86Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.09Å; L99-H102 PolarHBondContact O-N 3.32Å
100	F	97.5	Very high	95.5	Very high	163 Å²	163	82 Å²	82	72%	0.715	40%	0.398	S	S	*	.	H	α-helix	trans	-60.5	-40.2	177.1	174.5	-102.2	0	0	0	112.5	S96 K97 H102	S96-F100 WeakPolarHBondContact O-CB 3.25Å; S96-F100 PolarHBondContact O-N 3.24Å; K97-F100 PolarHBondContact O-N 2.9Å; F100-H102 VanDerWaalsContact C-N 3.26Å; F100-H102 PolarHBondContact O-N 3.07Å
101	L	96.9	Very high	95.6	Very high	79 Å²	79	80.5 Å²	80.5	41%	0.414	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.4	-179.7	-65.4	174.1	0	0	0	113.6	K97 G98 L99 R103	K97-L101 WeakPolarHBondContact O-CB 3.48Å; K97-L101 VanDerWaalsContact O-CG 3.23Å; K97-L101 WeakPolarHBondContact O-CG 3.28Å; K97-L101 PolarHBondContact O-N 3.33Å; G98-L101 PolarHBondContact O-N 3.08Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.09Å; L101-R103 HydrophobicContact CB-CG 3.81Å; L101-R103 PolarHBondContact O-N 3.05Å; L101-R103 VanDerWaalsContact O-N 3.17Å
102	H	96.2	Very high	95.7	Very high	181 Å²	181	78 Å²	78	84%	0.838	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	37.7	-174.3	-60.2	-64.2	0	0	0	113.6	G98 L99 F100	G98-H102 PolarHBondContact O-N 2.97Å; G98-H102 VanDerWaalsContact O-N 3.1Å; L99-H102 PolarHBondContact O-N 3.32Å; F100-H102 VanDerWaalsContact C-N 3.26Å; F100-H102 PolarHBondContact O-N 3.07Å
103	R	95.1	Very high	95.8	Very high	164 Å²	164	74.9 Å²	74.9	62%	0.619	36%	0.357	S	S	*	.	S	Bend	trans	-142.7	154	-179.9	71.4	-175.5	-176.9	173.2	1	111.3	G98 L101 V105	G98-R103 CarbonylContact C-O 3.43Å; G98-R103 WeakPolarHBondContact CA-O 3.28Å; G98-R103 PolarHBondContact O-N 3Å; G98-R103 VanDerWaalsContact O-N 3.14Å; L101-R103 HydrophobicContact CB-CG 3.81Å; L101-R103 PolarHBondContact O-N 3.05Å; L101-R103 VanDerWaalsContact O-N 3.17Å; R103-V105 HydrophobicContact CG-CG2 4.1Å; R103-V105 PolarHBondContact O-N 2.89Å
104	Y	91.6	Very high	95.9	Very high	199 Å²	199	70.7 Å²	70.7	78%	0.78	34%	0.336	S	S	*	.			trans	-64.7	126.2	167.1	-179.3	-101.8	0	0	0	109.4	K106	Y104-K106 HydrophobicContact CE1-CB 3.98Å
105	V	90.7	Very high	95.9	Very high	50 Å²	50	70.2 Å²	70.2	30%	0.303	33%	0.333	S	S	.	.			trans	-115.2	114.4	171	174.8	0	0	0	0	105.8	T94 R103	T94-V105 HydrophobicContact CG2-CG1 4.03Å; R103-V105 HydrophobicContact CG-CG2 4.1Å; R103-V105 PolarHBondContact O-N 2.89Å
106	K	91.2	Very high	95.9	Very high	103 Å²	103	64.9 Å²	64.9	45%	0.448	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-60.1	137.6	174.4	-174.9	179.5	175.9	-176.6	0	108.2	Y104 P108 G187	Y104-K106 HydrophobicContact CE1-CB 3.98Å; K106-P108 WeakPolarHBondContact O-CD 3.29Å; K106-G187 PolarHBondContact NZ-O 3Å
107	M	93.9	Very high	95.7	Very high	80 Å²	80	62.1 Å²	62.1	39%	0.394	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-64.2	119.8	173.9	-168.6	62.6	64.9	0	0	108.5	F90 E91 T94	F90-M107 HydrophobicContact CD1-SD 4.12Å; F90-M107 HydrophobicContact CE1-CG 4.35Å; F90-M107 HydrophobicContact CE1-SD 3.72Å; E91-M107 HydrophobicContact CB-CE 3.97Å; E91-M107 HydrophobicContact CG-CE 4Å; E91-M107 HydrophobicContact CG-SD 4.28Å; T94-M107 HydrophobicContact CG2-CE 4.04Å; T94-M107 HydrophobicContact CG2-SD 3.67Å
108	P	95.6	Very high	95.5	Very high	32 Å²	32	58.6 Å²	58.6	21%	0.208	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.8	156	171.8	10.8	-0.1	0	0	0	110.3	F90 K106 K185	F90-P108 WeakPolarHBondContact CE1-O 3.39Å; F90-P108 HydrophobicContact CE2-CG 4.41Å; F90-P108 HydrophobicContact CZ-CB 4.21Å; F90-P108 HydrophobicContact CZ-CG 3.7Å; F90-P108 WeakPolarHBondContact CZ-O 3.29Å; K106-P108 WeakPolarHBondContact O-CD 3.29Å; P108-K185 HydrophobicContact CB-CD 4.06Å; P108-K185 WeakPolarHBondContact CB-O 3.41Å
109	P	97.2	Very high	95.3	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.058	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-53.5	141.1	168.3	-28.4	37.7	0	0	0	112.4	V184 K185 P214	P109-V184 HydrophobicContact CB-CG1 3.93Å; P109-V184 VanDerWaalsContact CD-O 3.24Å; P109-V184 WeakPolarHBondContact CD-O 3.28Å; P109-V184 HydrophobicContact CG-CG1 3.87Å; P109-V184 WeakPolarHBondContact CG-O 3.43Å; P109-K185 PolarHBondContact O-NZ 3.22Å; P109-P214 VanDerWaalsContact CB-O 3.25Å; P109-P214 WeakPolarHBondContact CB-O 3.46Å; P109-P214 VanDerWaalsContact CG-O 3.32Å; P109-P214 WeakPolarHBondContact CG-O 3.04Å
110	F	97.9	Very high	95.2	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.022	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.2	170.2	-170.1	-91.3	0	0	0	109.1	I83 M87 F90 I112 D215 I216 L217 D240 L241	I83-F110 HydrophobicContact CG2-CE1 4.48Å; M87-F110 HydrophobicContact CB-CD2 4.46Å; M87-F110 HydrophobicContact CE-CB 4.43Å; M87-F110 HydrophobicContact CG-CB 4.47Å; M87-F110 HydrophobicContact CG-CD1 3.77Å; M87-F110 HydrophobicContact CG-CD2 3.88Å; M87-F110 HydrophobicContact CG-CE1 3.88Å; M87-F110 HydrophobicContact CG-CE2 3.99Å; M87-F110 HydrophobicContact CG-CG 3.77Å; M87-F110 HydrophobicContact CG-CZ 4.01Å; M87-F110 HydrophobicContact SD-CD1 4.5Å; F90-F110 HydrophobicContact CB-CD2 3.87Å; F90-F110 HydrophobicContact CB-CE2 3.84Å; F90-F110 AromaticContact CD1-CD2 3.77Å; F90-F110 HydrophobicContact CD1-CD2 3.77Å; F90-F110 HydrophobicContact CD2-CD2 4.32Å; F90-F110 HydrophobicContact CE1-CD2 4.34Å; F90-F110 AromaticContact CG-CD2 3.73Å; F90-F110 HydrophobicContact CG-CD2 3.73Å; F90-F110 HydrophobicContact CG-CE2 4.15Å; F110-I112 HydrophobicContact CD1-CD1 4.3Å; F110-I112 HydrophobicContact CD1-CG1 3.82Å; F110-I112 HydrophobicContact CE1-CD1 4.19Å; F110-I112 HydrophobicContact CE1-CG1 3.68Å; F110-D215 PolarHBondContact N-O 2.97Å; F110-I216 CarbonylContact O-C 3.58Å; F110-I216 VanDerWaalsContact O-CA 3.29Å; F110-I216 WeakPolarHBondContact O-CA 3.42Å; F110-L217 PolarHBondContact O-N 3.04Å; F110-D240 WeakPolarHBondContact CA-OD2 3.41Å; F110-D240 HydrophobicContact CD1-CB 4.5Å; F110-D240 HydrophobicContact CD2-CB 3.55Å; F110-D240 HydrophobicContact CE1-CB 4.26Å; F110-D240 HydrophobicContact CE2-CB 3.26Å; F110-D240 HydrophobicContact CG-CB 4.18Å; F110-D240 HydrophobicContact CZ-CB 3.64Å; F110-L241 HydrophobicContact CE1-CB 3.99Å; F110-L241 HydrophobicContact CZ-CB 3.93Å
111	I	98.1	Very high	95	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.7	-173.1	-50.4	-172.1	0	0	0	110	L181 V184 K185 L217 V219 F239 D240 L241	I111-L181 HydrophobicContact CD1-CD2 4.25Å; I111-V184 HydrophobicContact CD1-CB 4.48Å; I111-V184 HydrophobicContact CD1-CG1 3.81Å; I111-V184 HydrophobicContact CG1-CG1 4.43Å; I111-K185 HydrophobicContact CD1-CD 3.95Å; I111-K185 HydrophobicContact CD1-CG 3.97Å; I111-K185 HydrophobicContact CG1-CD 4.39Å; I111-L217 CarbonylContact C-O 3.53Å; I111-L217 VanDerWaalsContact CA-O 3.28Å; I111-L217 WeakPolarHBondContact CA-O 3.32Å; I111-L217 HydrophobicContact CD1-CD2 4.46Å; I111-L217 HydrophobicContact CG1-CB 4.32Å; I111-L217 HydrophobicContact CG2-CB 4.5Å; I111-V219 HydrophobicContact CG2-CG2 3.74Å; I111-F239 HydrophobicContact CB-CD1 4.32Å; I111-F239 HydrophobicContact CG2-CD1 3.53Å; I111-F239 HydrophobicContact CG2-CE1 3.91Å; I111-D240 PolarHBondContact N-OD2 2.98Å; I111-D240 PolarHBondContact O-N 3.46Å; I111-L241 PolarHBondContact O-N 3.31Å
112	I	98.3	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115	176.2	-56	174.2	0	0	0	109.1	I83 F110 I114 L133 I216 L217 I218 V219 L241 I243	I83-I112 HydrophobicContact CD1-CD1 4.2Å; I83-I112 HydrophobicContact CG1-CD1 4.48Å; I83-I112 HydrophobicContact CG2-CD1 3.87Å; F110-I112 HydrophobicContact CD1-CD1 4.3Å; F110-I112 HydrophobicContact CD1-CG1 3.82Å; F110-I112 HydrophobicContact CE1-CD1 4.19Å; F110-I112 HydrophobicContact CE1-CG1 3.68Å; I112-I114 HydrophobicContact CG2-CG1 4.29Å; I112-L133 HydrophobicContact CD1-CD1 3.99Å; I112-I216 HydrophobicContact CD1-CG2 3.91Å; I112-I216 HydrophobicContact CG1-CG2 4.34Å; I112-L217 PolarHBondContact N-O 2.92Å; I112-I218 HydrophobicContact CB-CG1 4.39Å; I112-I218 HydrophobicContact CD1-CG1 4.5Å; I112-I218 CarbonylContact O-C 3.55Å; I112-I218 WeakPolarHBondContact O-CA 3.31Å; I112-V219 PolarHBondContact O-N 3.15Å; I112-L241 CarbonylContact C-O 3.51Å; I112-L241 VanDerWaalsContact CA-O 3.29Å; I112-L241 WeakPolarHBondContact CA-O 3.47Å; I112-I243 HydrophobicContact CG2-CD1 4.06Å; I112-I243 HydrophobicContact CG2-CG1 4.39Å
113	G	97.9	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.9	172.1	0	0	0	0	0	111.9	V219 L241 S242 I243	G113-V219 CarbonylContact C-O 3.53Å; G113-V219 WeakPolarHBondContact CA-O 3.49Å; G113-L241 PolarHBondContact N-O 2.68Å; G113-S242 CarbonylContact O-C 3.59Å; G113-S242 WeakPolarHBondContact O-CA 3.47Å; G113-I243 PolarHBondContact O-N 2.84Å
114	I	98.1	Very high	94.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122	174.2	-56.2	180	0	0	0	109.7	I112 K122 A126 L129 I218 V219 E220 G221 T224 I243 V245	I112-I114 HydrophobicContact CG2-CG1 4.29Å; I114-K122 HydrophobicContact CG2-CB 4.28Å; I114-A126 HydrophobicContact CD1-CB 3.72Å; I114-L129 HydrophobicContact CD1-CD1 3.95Å; I114-I218 HydrophobicContact CD1-CG2 3.55Å; I114-I218 HydrophobicContact CG1-CG2 4.09Å; I114-V219 PolarHBondContact N-O 2.81Å; I114-E220 HydrophobicContact CB-CB 4.4Å; I114-E220 HydrophobicContact CB-CG 4.27Å; I114-E220 HydrophobicContact CG2-CG 4.32Å; I114-G221 PolarHBondContact O-N 3.12Å; I114-G221 VanDerWaalsContact O-O 3.1Å; I114-T224 PolarHBondContact O-OG1 3.26Å; I114-I243 CarbonylContact C-O 3.56Å; I114-I243 WeakPolarHBondContact CA-O 3.43Å; I114-I243 HydrophobicContact CG1-CB 4.37Å; I114-V245 HydrophobicContact CG2-CG2 4.27Å
115	A	96.7	Very high	94.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	171.6	-175.8	0	0	0	0	0	112.7	G221 T224 L225 I243 Y244 V245	A115-G221 WeakPolarHBondContact CA-O 3.29Å; A115-T224 WeakPolarHBondContact CA-OG1 3.37Å; A115-T224 VanDerWaalsContact CB-OG1 3.27Å; A115-T224 WeakPolarHBondContact CB-OG1 3.14Å; A115-L225 HydrophobicContact CB-CB 4.32Å; A115-L225 HydrophobicContact CB-CD1 3.64Å; A115-L225 HydrophobicContact CB-CG 3.77Å; A115-I243 PolarHBondContact N-O 3.45Å; A115-Y244 HydrophobicContact CB-CD2 3.81Å; A115-Y244 HydrophobicContact CB-CE2 4.46Å; A115-V245 PolarHBondContact O-N 2.93Å
116	G	95.3	Very high	95.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.1	176.8	178.9	0	0	0	0	0	112.9	K122	G116-K122 VanDerWaalsContact N-CD 3.33Å; G116-K122 VanDerWaalsContact O-CD 3.27Å; G116-K122 WeakPolarHBondContact O-CD 3.48Å; G116-K122 WeakPolarHBondContact O-CE 3.44Å
117	S	93.5	Very high	95.3	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.021	8%	0.078	C	C	.	.			trans	-63.8	164	-176.7	-172	0	0	0	0	113.6	V120 K122	S117-V120 VanDerWaalsContact O-CG1 3.24Å; S117-V120 WeakPolarHBondContact O-CG1 3.31Å; S117-K122 PolarHBondContact O-NZ 3.49Å
118	V	92.2	Very high	95.3	Very high	39 Å²	39	10.8 Å²	10.8	24%	0.236	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	142.9	157.9	-179.1	0	0	0	0	109	V120 I222 V252 Y256	V118-V120 PolarHBondContact O-N 3.31Å; V118-I222 HydrophobicContact CG2-CG2 4.16Å; V118-V252 WeakPolarHBondContact O-CG1 3.22Å; V118-Y256 HydrophobicContact CG1-CD2 4.19Å; V118-Y256 HydrophobicContact CG1-CE2 4.44Å
119	A	91.7	Very high	95.3	Very high	9 Å²	9	9.3 Å²	9.3	7%	0.074	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	1.1	179.8	0	0	0	0	0	117.5	G121 Y256	A119-G121 PolarHBondContact O-N 2.93Å; A119-Y256 HydrophobicContact CB-CD2 4.24Å
120	V	94.2	Very high	95.3	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	6%	0.059	C	C	.	.	S	Bend	trans	-70.7	-18	178.8	80	0	0	0	0	113.3	S117 V118 K122 V245 A247 V252 W255 K319	S117-V120 VanDerWaalsContact O-CG1 3.24Å; S117-V120 WeakPolarHBondContact O-CG1 3.31Å; V118-V120 PolarHBondContact O-N 3.31Å; V120-K122 HydrophobicContact CG1-CD 4.42Å; V120-K122 HydrophobicContact CG1-CG 3.59Å; V120-V245 HydrophobicContact CG1-CB 3.88Å; V120-V245 HydrophobicContact CG1-CG1 3.92Å; V120-V245 HydrophobicContact CG2-CG1 4.02Å; V120-A247 HydrophobicContact CG2-CB 3.87Å; V120-V252 HydrophobicContact CB-CG1 4.39Å; V120-V252 HydrophobicContact CB-CG2 4.45Å; V120-V252 HydrophobicContact CG2-CG2 4.05Å; V120-W255 HydrophobicContact CG2-CZ3 4.24Å; V120-K319 VanDerWaalsContact O-CD 3.29Å; V120-K319 WeakPolarHBondContact O-CD 3.45Å; V120-K319 WeakPolarHBondContact O-CE 3.46Å; V120-K319 PolarHBondContact O-NZ 2.97Å
121	G	92.7	Very high	95.1	Very high	4 Å²	4	12.9 Å²	12.9	4%	0.041	7%	0.068	C	C	.	.	S	Bend	trans	109.2	16.6	176.9	0	0	0	0	0	115.7	A119 S123 T124 T125	A119-G121 PolarHBondContact O-N 2.93Å; G121-S123 PolarHBondContact O-N 3.44Å; G121-T124 PolarHBondContact O-N 3.27Å; G121-T125 PolarHBondContact O-N 2.66Å; G121-T125 PolarHBondContact O-OG1 3.19Å
122	K	94.6	Very high	94.9	Very high	15 Å²	15	12.9 Å²	12.9	7%	0.065	7%	0.068	C	C	.	.	H	α-helix	trans	-51.5	-51.9	179.6	-54	-169.1	-62.9	-43.6	0	113.9	I114 G116 S117 V120 T124 T125 A126 E220 V245	I114-K122 HydrophobicContact CG2-CB 4.28Å; G116-K122 VanDerWaalsContact N-CD 3.33Å; G116-K122 VanDerWaalsContact O-CD 3.27Å; G116-K122 WeakPolarHBondContact O-CD 3.48Å; G116-K122 WeakPolarHBondContact O-CE 3.44Å; S117-K122 PolarHBondContact O-NZ 3.49Å; V120-K122 HydrophobicContact CG1-CD 4.42Å; V120-K122 HydrophobicContact CG1-CG 3.59Å; K122-T124 PolarHBondContact O-N 3.2Å; K122-T125 CarbonylContact O-C 3.6Å; K122-T125 WeakPolarHBondContact O-CA 3.46Å; K122-T125 WeakPolarHBondContact O-CB 3.27Å; K122-T125 PolarHBondContact O-N 3.22Å; K122-T125 VanDerWaalsContact O-N 3.11Å; K122-A126 WeakPolarHBondContact O-CB 3.27Å; K122-A126 PolarHBondContact O-N 2.87Å; K122-E220 HydrophobicContact CB-CG 3.7Å; K122-E220 WeakPolarHBondContact CB-OE1 3.41Å; K122-E220 WeakPolarHBondContact CE-OE1 3.34Å; K122-E220 IonicContact NZ-OE1 3.83Å; K122-V245 HydrophobicContact CG-CB 4.46Å; K122-V245 HydrophobicContact CG-CG2 4.49Å
123	S	93.3	Very high	94.7	Very high	30 Å²	30	12.9 Å²	12.9	21%	0.21	7%	0.068	C	C	.	.	H	α-helix	trans	-62.5	-33.6	-177.6	-40.2	0	0	0	0	112.3	G121 A126 R127 E220	G121-S123 PolarHBondContact O-N 3.44Å; S123-A126 PolarHBondContact O-N 3.01Å; S123-R127 WeakPolarHBondContact O-CB 3.44Å; S123-R127 WeakPolarHBondContact O-CG 3.39Å; S123-R127 PolarHBondContact O-N 2.78Å; S123-E220 VanDerWaalsContact CA-OE2 3.23Å; S123-E220 WeakPolarHBondContact CA-OE2 3.44Å; S123-E220 WeakPolarHBondContact CB-OE2 3.3Å; S123-E220 PolarHBondContact OG-OE1 3.08Å; S123-E220 PolarHBondContact OG-OE2 2.89Å
124	T	93	Very high	94.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.3	-42	174.9	-57.3	0	0	0	0	111.2	S62 D65 I67 G121 K122 A126 L128	S62-T124 WeakPolarHBondContact CB-OG1 3.39Å; S62-T124 PolarHBondContact N-OG1 3Å; S62-T124 PolarHBondContact OG-OG1 2.84Å; D65-T124 HydrophobicContact CB-CG2 4.02Å; D65-T124 VanDerWaalsContact OD2-CB 3.3Å; D65-T124 WeakPolarHBondContact OD2-CB 3.3Å; D65-T124 PolarHBondContact OD2-OG1 2.68Å; I67-T124 HydrophobicContact CD1-CG2 3.3Å; I67-T124 HydrophobicContact CG1-CG2 4.06Å; G121-T124 PolarHBondContact O-N 3.27Å; K122-T124 PolarHBondContact O-N 3.2Å; T124-A126 VanDerWaalsContact C-N 3.32Å; T124-A126 PolarHBondContact O-N 2.92Å; T124-L128 VanDerWaalsContact O-CB 3.22Å; T124-L128 WeakPolarHBondContact O-CB 3.27Å; T124-L128 PolarHBondContact O-N 3.32Å
125	T	95.6	Very high	94.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-44.8	170.5	-62.4	0	0	0	0	111.1	Y76 G121 K122 L128 L129 V245 L317	Y76-T125 HydrophobicContact CE1-CG2 3.81Å; Y76-T125 PolarHBondContact OH-OG1 3.46Å; G121-T125 PolarHBondContact O-N 2.66Å; G121-T125 PolarHBondContact O-OG1 3.19Å; K122-T125 CarbonylContact O-C 3.6Å; K122-T125 WeakPolarHBondContact O-CA 3.46Å; K122-T125 WeakPolarHBondContact O-CB 3.27Å; K122-T125 PolarHBondContact O-N 3.22Å; K122-T125 VanDerWaalsContact O-N 3.11Å; T125-L128 PolarHBondContact O-N 3.13Å; T125-L129 HydrophobicContact CG2-CD1 4.07Å; T125-L129 WeakPolarHBondContact O-CB 3.07Å; T125-L129 WeakPolarHBondContact O-CG 3.24Å; T125-L129 PolarHBondContact O-N 2.93Å; T125-V245 HydrophobicContact CG2-CG2 4.22Å; T125-L317 HydrophobicContact CG2-CD1 4.03Å
126	A	96.3	Very high	93.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-49.6	-178.4	0	0	0	0	0	112.6	I114 K122 S123 T124 L128 L129 Q130 L144 I218 E220	I114-A126 HydrophobicContact CD1-CB 3.72Å; K122-A126 WeakPolarHBondContact O-CB 3.27Å; K122-A126 PolarHBondContact O-N 2.87Å; S123-A126 PolarHBondContact O-N 3.01Å; T124-A126 VanDerWaalsContact C-N 3.32Å; T124-A126 PolarHBondContact O-N 2.92Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.95Å; A126-L129 PolarHBondContact O-N 3.37Å; A126-Q130 WeakPolarHBondContact O-CB 3.18Å; A126-Q130 PolarHBondContact O-N 2.88Å; A126-L144 HydrophobicContact CB-CD1 3.73Å; A126-L144 HydrophobicContact CB-CD2 4.13Å; A126-I218 HydrophobicContact CB-CG2 4.17Å; A126-E220 HydrophobicContact CB-CB 3.98Å; A126-E220 HydrophobicContact CB-CG 4.08Å
127	R	94.9	Very high	93.6	Very high	79 Å²	79	25 Å²	25	30%	0.298	13%	0.125	S	C	.	.	H	α-helix	trans	-65.1	-36.8	176.8	-72.3	-169.8	-57.7	-90.5	0.7	112.7	I60 S62 S123 Q130 T131 L144	I60-R127 HydrophobicContact CG2-CB 3.89Å; I60-R127 PolarHBondContact O-NE 3.24Å; I60-R127 VanDerWaalsContact O-NE 3.11Å; I60-R127 PolarHBondContact O-NH2 3.04Å; S62-R127 PolarHBondContact OG-NH2 3.25Å; S123-R127 WeakPolarHBondContact O-CB 3.44Å; S123-R127 WeakPolarHBondContact O-CG 3.39Å; S123-R127 PolarHBondContact O-N 2.78Å; R127-Q130 PolarHBondContact O-N 2.84Å; R127-T131 PolarHBondContact O-N 3.32Å; R127-T131 PolarHBondContact O-OG1 2.83Å; R127-L144 HydrophobicContact CG-CD2 3.6Å
128	L	94.5	Very high	93.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-46.8	175.4	-179.1	56.5	0	0	0	111.1	L52 L57 I60 I67 V72 Y76 T124 T125 A126 T131 L132	L52-L128 HydrophobicContact CD1-CD1 3.48Å; L52-L128 VanDerWaalsContact CD1-CD1 3.48Å; L57-L128 HydrophobicContact CD1-CD1 4.05Å; I60-L128 HydrophobicContact CD1-CD1 4.13Å; I60-L128 HydrophobicContact CG2-CB 3.99Å; I67-L128 HydrophobicContact CD1-CD2 4.13Å; I67-L128 HydrophobicContact CG2-CD2 4.09Å; V72-L128 HydrophobicContact CG2-CD1 4.14Å; V72-L128 HydrophobicContact CG2-CD2 4.17Å; Y76-L128 HydrophobicContact CD1-CD2 3.74Å; Y76-L128 HydrophobicContact CD1-CG 4.16Å; Y76-L128 HydrophobicContact CD2-CD2 3.41Å; Y76-L128 VanDerWaalsContact CD2-CD2 3.41Å; Y76-L128 HydrophobicContact CD2-CG 4.5Å; Y76-L128 HydrophobicContact CE1-CD2 3.85Å; Y76-L128 HydrophobicContact CE1-CG 4.48Å; Y76-L128 HydrophobicContact CE2-CD2 3.54Å; Y76-L128 HydrophobicContact CG-CD2 3.51Å; Y76-L128 HydrophobicContact CG-CG 4.16Å; T124-L128 VanDerWaalsContact O-CB 3.22Å; T124-L128 WeakPolarHBondContact O-CB 3.27Å; T124-L128 PolarHBondContact O-N 3.32Å; T125-L128 PolarHBondContact O-N 3.13Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.95Å; L128-T131 PolarHBondContact O-N 2.99Å; L128-L132 HydrophobicContact CD1-CD1 3.95Å; L128-L132 HydrophobicContact CD1-CG 4.06Å; L128-L132 HydrophobicContact CG-CD1 3.9Å; L128-L132 HydrophobicContact CG-CG 4.42Å; L128-L132 WeakPolarHBondContact O-CB 3.12Å; L128-L132 VanDerWaalsContact O-CG 3.24Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.84Å
129	L	96	Very high	93.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-46.3	174.7	-77.8	176.3	0	0	0	111.7	Y76 L79 I83 I114 T125 A126 T131 L132 L133 I218 I243	Y76-L129 HydrophobicContact CD1-CD2 4.26Å; Y76-L129 HydrophobicContact CD1-CG 4.38Å; L79-L129 HydrophobicContact CD2-CD1 4.25Å; L79-L129 HydrophobicContact CD2-CD2 3.9Å; L79-L129 HydrophobicContact CG-CD2 4.16Å; I83-L129 HydrophobicContact CD1-CD2 3.95Å; I114-L129 HydrophobicContact CD1-CD1 3.95Å; T125-L129 HydrophobicContact CG2-CD1 4.07Å; T125-L129 WeakPolarHBondContact O-CB 3.07Å; T125-L129 WeakPolarHBondContact O-CG 3.24Å; T125-L129 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 3.37Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 2.89Å; L129-L132 PolarHBondContact O-N 2.88Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.82Å; L129-I218 HydrophobicContact CB-CD1 4.14Å; L129-I243 HydrophobicContact CD1-CD1 3.72Å
130	Q	96.3	Very high	93.3	Very high	56 Å²	56	41.4 Å²	41.4	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-51.5	-52.6	175.3	-174	-174	19.3	0	0	110.9	A126 R127 L132 L133 D134 V142 L144 I218	A126-Q130 WeakPolarHBondContact O-CB 3.18Å; A126-Q130 PolarHBondContact O-N 2.88Å; R127-Q130 PolarHBondContact O-N 2.84Å; Q130-L132 PolarHBondContact O-N 2.82Å; Q130-L133 PolarHBondContact O-N 2.94Å; Q130-D134 VanDerWaalsContact O-CB 3.31Å; Q130-D134 WeakPolarHBondContact O-CB 3.35Å; Q130-D134 PolarHBondContact O-N 3.08Å; Q130-V142 HydrophobicContact CB-CG1 4.44Å; Q130-V142 HydrophobicContact CG-CB 4.35Å; Q130-V142 HydrophobicContact CG-CG1 3.95Å; Q130-V142 PolarHBondContact NE2-O 3.31Å; Q130-L144 HydrophobicContact CG-CB 4.41Å; Q130-I218 HydrophobicContact CB-CD1 3.95Å
131	T	93.7	Very high	93.4	Very high	33 Å²	33	45 Å²	45	20%	0.202	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-40	-178	-46.5	0	0	0	0	112.2	L52 I60 R127 L128 L129 R135	L52-T131 HydrophobicContact CD2-CG2 3.56Å; I60-T131 HydrophobicContact CD1-CG2 4.02Å; I60-T131 WeakPolarHBondContact CD1-OG1 3.42Å; R127-T131 PolarHBondContact O-N 3.32Å; R127-T131 PolarHBondContact O-OG1 2.83Å; L128-T131 PolarHBondContact O-N 2.99Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 2.89Å; T131-R135 VanDerWaalsContact O-CG 3.28Å; T131-R135 WeakPolarHBondContact O-CG 3.28Å; T131-R135 PolarHBondContact O-N 3.23Å
132	L	94.1	Very high	93.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.2	-44.6	179.6	-72.4	173.4	0	0	0	112.1	P51 L52 V72 Y76 C80 L128 L129 Q130 R135 L136	P51-L132 HydrophobicContact CB-CD2 4.45Å; P51-L132 HydrophobicContact CG-CD2 3.34Å; L52-L132 HydrophobicContact CD1-CD2 3.43Å; L52-L132 VanDerWaalsContact CD1-CD2 3.43Å; L52-L132 HydrophobicContact CD1-CG 3.91Å; L52-L132 HydrophobicContact CG-CD2 3.94Å; V72-L132 HydrophobicContact CG1-CD1 4.38Å; V72-L132 HydrophobicContact CG1-CD2 4.06Å; Y76-L132 VanDerWaalsContact CB-CD1 3.44Å; Y76-L132 HydrophobicContact CG-CD1 4.42Å; C80-L132 VanDerWaalsContact SG-CB 3.5Å; L128-L132 HydrophobicContact CD1-CD1 3.95Å; L128-L132 HydrophobicContact CD1-CG 4.06Å; L128-L132 HydrophobicContact CG-CD1 3.9Å; L128-L132 HydrophobicContact CG-CG 4.42Å; L128-L132 WeakPolarHBondContact O-CB 3.12Å; L128-L132 VanDerWaalsContact O-CG 3.24Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.84Å; L129-L132 PolarHBondContact O-N 2.88Å; Q130-L132 PolarHBondContact O-N 2.82Å; L132-R135 PolarHBondContact O-N 2.86Å; L132-L136 VanDerWaalsContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.24Å; L132-L136 PolarHBondContact O-N 3.36Å
133	L	94.9	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-45.2	179.7	-66	171.3	0	0	0	110.8	C80 I83 I112 L129 Q130 R135 L136 F137 V142 I216 I218	C80-L133 HydrophobicContact CB-CD2 4.09Å; I83-L133 HydrophobicContact CB-CD2 4.33Å; I83-L133 HydrophobicContact CD1-CD1 4.42Å; I83-L133 HydrophobicContact CD1-CD2 4.23Å; I83-L133 HydrophobicContact CG2-CD2 3.93Å; I112-L133 HydrophobicContact CD1-CD1 3.99Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.82Å; Q130-L133 PolarHBondContact O-N 2.94Å; L133-R135 PolarHBondContact O-N 2.85Å; L133-L136 PolarHBondContact O-N 2.83Å; L133-F137 HydrophobicContact CB-CD2 4.39Å; L133-F137 HydrophobicContact CD2-CD2 3.95Å; L133-F137 HydrophobicContact CD2-CE2 3.39Å; L133-F137 HydrophobicContact CD2-CZ 4.21Å; L133-F137 WeakPolarHBondContact O-CA 3.46Å; L133-F137 WeakPolarHBondContact O-CB 3.4Å; L133-F137 PolarHBondContact O-N 3.33Å; L133-V142 HydrophobicContact CB-CG1 4.35Å; L133-V142 HydrophobicContact CB-CG2 3.96Å; L133-V142 HydrophobicContact CD1-CG1 4.48Å; L133-I216 HydrophobicContact CB-CD1 4.4Å; L133-I216 HydrophobicContact CD1-CD1 4.42Å; L133-I216 HydrophobicContact CD1-CG2 4.41Å; L133-I218 HydrophobicContact CD1-CD1 4.2Å
134	D	92.9	Very high	94	Very high	84 Å²	84	46.9 Å²	46.9	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-56	-39.2	175.9	-175.2	71.6	0	0	0	112.1	Q130 V142	Q130-D134 VanDerWaalsContact O-CB 3.31Å; Q130-D134 WeakPolarHBondContact O-CB 3.35Å; Q130-D134 PolarHBondContact O-N 3.08Å; D134-V142 HydrophobicContact CB-CB 4.49Å; D134-V142 HydrophobicContact CB-CG2 4.24Å
135	R	90	Very high	94.1	Very high	75 Å²	75	46.9 Å²	46.9	28%	0.283	22%	0.223	S	C	.	.	H	α-helix	trans	-77.5	-42.2	178.9	-71	-177.3	-170.3	-143.5	-8.6	114.6	P51 E56 T131 L132 L133 K138	P51-R135 HydrophobicContact CB-CB 4.24Å; P51-R135 WeakPolarHBondContact O-CD 3.39Å; P51-R135 PolarHBondContact O-NH1 3.14Å; E56-R135 IonicContact OE1-CZ 3.77Å; E56-R135 VanDerWaalsContact OE1-CZ 3.31Å; E56-R135 IonicContact OE1-NH1 3.71Å; E56-R135 PolarHBondContact OE1-NH1 2.76Å; E56-R135 VanDerWaalsContact OE1-NH1 3.12Å; E56-R135 IonicContact OE1-NH2 2.71Å; E56-R135 PolarHBondContact OE1-NH2 2.76Å; E56-R135 IonicContact OE2-CZ 3.71Å; E56-R135 IonicContact OE2-NH1 3.63Å; E56-R135 PolarHBondContact OE2-NH1 2.69Å; E56-R135 IonicContact OE2-NH2 2.94Å; E56-R135 PolarHBondContact OE2-NH2 2.76Å; T131-R135 VanDerWaalsContact O-CG 3.28Å; T131-R135 WeakPolarHBondContact O-CG 3.28Å; T131-R135 PolarHBondContact O-N 3.23Å; L132-R135 PolarHBondContact O-N 2.86Å; L133-R135 PolarHBondContact O-N 2.85Å; R135-K138 WeakPolarHBondContact O-CG 3.31Å
136	L	90.4	Very high	94.1	Very high	65 Å²	65	48.9 Å²	48.9	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-75.4	-32.8	-176.8	-69	170.9	0	0	0	110.7	P51 C80 L132 L133	P51-L136 HydrophobicContact CB-CD2 4.22Å; P51-L136 HydrophobicContact CG-CD2 4.27Å; P51-L136 HydrophobicContact CG-CG 4.42Å; C80-L136 HydrophobicContact CB-CD1 3.57Å; L132-L136 VanDerWaalsContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.24Å; L132-L136 PolarHBondContact O-N 3.36Å; L133-L136 PolarHBondContact O-N 2.83Å
137	F	91.4	Very high	94.1	Very high	30 Å²	30	48.9 Å²	48.9	13%	0.132	24%	0.235	C	C	.	.			trans	-115	63.9	-178.5	-49.9	-33.7	0	0	0	111.4	H84 M87 L133 H139 Q140 I216	H84-F137 HydrophobicContact CB-CE1 4.06Å; H84-F137 HydrophobicContact CB-CE2 4.48Å; H84-F137 HydrophobicContact CB-CZ 3.6Å; H84-F137 AromaticContact CG-CE1 3.84Å; H84-F137 AromaticContact CG-CZ 3.84Å; H84-F137 AromaticContact ND1-CD1 3.9Å; H84-F137 AromaticContact ND1-CE1 3.31Å; H84-F137 VanDerWaalsContact ND1-CE1 3.31Å; H84-F137 WeakPolarHBondContact ND1-CE1 3.23Å; H84-F137 AromaticContact ND1-CZ 3.49Å; H84-F137 WeakPolarHBondContact ND1-CZ 3.4Å; M87-F137 HydrophobicContact SD-CD2 4.35Å; M87-F137 HydrophobicContact SD-CE2 4.07Å; L133-F137 HydrophobicContact CB-CD2 4.39Å; L133-F137 HydrophobicContact CD2-CD2 3.95Å; L133-F137 HydrophobicContact CD2-CE2 3.39Å; L133-F137 HydrophobicContact CD2-CZ 4.21Å; L133-F137 WeakPolarHBondContact O-CA 3.46Å; L133-F137 WeakPolarHBondContact O-CB 3.4Å; L133-F137 PolarHBondContact O-N 3.33Å; F137-H139 PolarHBondContact O-N 2.89Å; F137-Q140 HydrophobicContact CB-CB 4.13Å; F137-Q140 HydrophobicContact CB-CG 4.42Å; F137-Q140 PolarHBondContact O-N 3.26Å; F137-I216 HydrophobicContact CD2-CD1 4.1Å
138	K	86.6	Confident	94	Very high	175 Å²	175	47 Å²	47	76%	0.761	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-8.6	-174.5	-60.3	-173.4	178.7	-177.6	0	117.5	R135	R135-K138 WeakPolarHBondContact O-CG 3.31Å
139	H	90.7	Very high	94	Very high	186 Å²	186	47.1 Å²	47.1	86%	0.861	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	9.8	179.1	-60.2	-51.7	0	0	0	112.6	F137	F137-H139 PolarHBondContact O-N 2.89Å
140	Q	93.4	Very high	94	Very high	36 Å²	36	47.2 Å²	47.2	17%	0.168	23%	0.233	C	C	.	.	S	Bend	trans	-123.3	132.3	178.9	-70.6	174.5	-14.1	0	0	109.1	F137 D215	F137-Q140 HydrophobicContact CB-CB 4.13Å; F137-Q140 HydrophobicContact CB-CG 4.42Å; F137-Q140 PolarHBondContact O-N 3.26Å; Q140-D215 VanDerWaalsContact CA-OD2 3.24Å; Q140-D215 WeakPolarHBondContact CA-OD2 3.4Å; Q140-D215 HydrophobicContact CB-CB 3.84Å; Q140-D215 HydrophobicContact CG-CB 4.07Å
141	T	96.1	Very high	93.9	Very high	75 Å²	75	45 Å²	45	46%	0.46	22%	0.223	S	C	.	.			trans	-83.3	134.6	173.5	54.5	0	0	0	0	110.1	P214 D215 I216	T141-P214 VanDerWaalsContact OG1-CA 3.3Å; T141-P214 WeakPolarHBondContact OG1-CA 3.41Å; T141-D215 PolarHBondContact N-OD2 2.9Å; T141-D215 PolarHBondContact O-N 2.95Å; T141-D215 VanDerWaalsContact O-N 3.08Å; T141-D215 PolarHBondContact OG1-N 2.75Å; T141-D215 PolarHBondContact OG1-OD2 3.38Å; T141-I216 PolarHBondContact O-N 2.84Å
142	V	97.6	Very high	94	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.6	-178.6	-166.5	0	0	0	0	110.2	Q130 L133 D134 I216 I218	Q130-V142 HydrophobicContact CB-CG1 4.44Å; Q130-V142 HydrophobicContact CG-CB 4.35Å; Q130-V142 HydrophobicContact CG-CG1 3.95Å; Q130-V142 PolarHBondContact NE2-O 3.31Å; L133-V142 HydrophobicContact CB-CG1 4.35Å; L133-V142 HydrophobicContact CB-CG2 3.96Å; L133-V142 HydrophobicContact CD1-CG1 4.48Å; D134-V142 HydrophobicContact CB-CB 4.49Å; D134-V142 HydrophobicContact CB-CG2 4.24Å; V142-I216 WeakPolarHBondContact CA-O 3.5Å; V142-I216 HydrophobicContact CG1-CB 4.09Å; V142-I216 HydrophobicContact CG1-CG2 4.11Å; V142-I216 HydrophobicContact CG2-CB 4.25Å; V142-I216 HydrophobicContact CG2-CD1 4.02Å; V142-I218 HydrophobicContact CG1-CD1 4.07Å; V142-I218 HydrophobicContact CG1-CG1 4.37Å
143	Q	97.7	Very high	94.1	Very high	42 Å²	42	48.2 Å²	48.2	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.8	176.2	-173.1	167	-11.5	0	0	110.7	L210 P214 I216 L217 I218	Q143-L210 PolarHBondContact NE2-O 2.79Å; Q143-P214 HydrophobicContact CB-CB 3.75Å; Q143-P214 HydrophobicContact CB-CG 3.95Å; Q143-I216 PolarHBondContact N-O 3.47Å; Q143-L217 HydrophobicContact CB-CD1 4.15Å; Q143-L217 HydrophobicContact CG-CD1 4.28Å; Q143-L217 CarbonylContact O-C 3.57Å; Q143-L217 WeakPolarHBondContact O-CA 3.41Å; Q143-I218 PolarHBondContact O-N 2.84Å
144	L	97.3	Very high	94.2	Very high	32 Å²	32	49.4 Å²	49.4	17%	0.168	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.8	173.8	170	62.5	0	0	0	108.7	A126 R127 Q130 I218 E220	A126-L144 HydrophobicContact CB-CD1 3.73Å; A126-L144 HydrophobicContact CB-CD2 4.13Å; R127-L144 HydrophobicContact CG-CD2 3.6Å; Q130-L144 HydrophobicContact CG-CB 4.41Å; L144-I218 WeakPolarHBondContact CA-O 3.43Å; L144-I218 HydrophobicContact CD1-CB 3.85Å; L144-I218 HydrophobicContact CD1-CG2 3.62Å; L144-E220 HydrophobicContact CD1-CB 4.24Å
145	I	96.5	Very high	94.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.2	167.3	66.4	170.8	0	0	0	110	I193 I211 L217 I218 V219 E220	I145-I193 HydrophobicContact CB-CD1 3.99Å; I145-I193 HydrophobicContact CG2-CD1 3.68Å; I145-I211 HydrophobicContact CD1-CD1 3.88Å; I145-I211 HydrophobicContact CG2-CD1 3.99Å; I145-I211 HydrophobicContact CG2-CG1 3.87Å; I145-L217 HydrophobicContact CD1-CD1 4.42Å; I145-L217 HydrophobicContact CD1-CD2 4.2Å; I145-L217 HydrophobicContact CG1-CD1 4.17Å; I145-L217 HydrophobicContact CG2-CD1 4.02Å; I145-I218 PolarHBondContact N-O 2.97Å; I145-V219 HydrophobicContact CD1-CG1 4.25Å; I145-V219 HydrophobicContact CD1-CG2 3.98Å; I145-V219 HydrophobicContact CG1-CB 4.27Å; I145-V219 HydrophobicContact CG1-CG1 4.15Å; I145-V219 HydrophobicContact CG1-CG2 3.93Å; I145-E220 PolarHBondContact O-N 3.37Å
146	T	95.3	Very high	94.6	Very high	43 Å²	43	46.7 Å²	46.7	26%	0.264	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.5	172.5	74	0	0	0	0	110.2	D148 E220	T146-D148 PolarHBondContact O-N 3.37Å; T146-E220 CarbonylContact C-O 3.56Å; T146-E220 VanDerWaalsContact CA-O 3.29Å; T146-E220 WeakPolarHBondContact CA-O 3.31Å
147	T	94.9	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-71.9	-12.3	175.5	60.1	0	0	0	0	112.7	G149 F150 Y172 L177 V219 E220 G221 N223 T224	T147-G149 PolarHBondContact O-N 3.34Å; T147-F150 WeakPolarHBondContact O-CA 3.27Å; T147-F150 WeakPolarHBondContact O-CB 3.48Å; T147-F150 PolarHBondContact O-N 3.22Å; T147-Y172 VanDerWaalsContact O-CE1 3.29Å; T147-Y172 WeakPolarHBondContact O-CE1 3.44Å; T147-L177 HydrophobicContact CG2-CD2 4.28Å; T147-V219 HydrophobicContact CG2-CG1 4.01Å; T147-E220 PolarHBondContact N-O 3.26Å; T147-G221 WeakPolarHBondContact OG1-CA 3.44Å; T147-N223 WeakPolarHBondContact CB-OD1 3.5Å; T147-N223 VanDerWaalsContact CG2-OD1 3.28Å; T147-N223 WeakPolarHBondContact CG2-OD1 3.01Å; T147-N223 PolarHBondContact OG1-OD1 2.89Å; T147-N223 VanDerWaalsContact OG1-OD1 3.08Å; T147-T224 HydrophobicContact CG2-CG2 3.66Å
148	D	93.6	Very high	95.1	Very high	39 Å²	39	48.2 Å²	48.2	21%	0.209	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.9	-26.6	179.6	-68.3	-7.9	0	0	0	111.6	T146 F150 L151 Y172 Y196 H198	T146-D148 PolarHBondContact O-N 3.37Å; D148-F150 PolarHBondContact O-N 3.42Å; D148-F150 VanDerWaalsContact O-N 3.12Å; D148-L151 HydrophobicContact CB-CD1 4.24Å; D148-L151 WeakPolarHBondContact O-CB 3.49Å; D148-L151 PolarHBondContact O-N 3.13Å; D148-L151 VanDerWaalsContact O-N 3.08Å; D148-Y172 PolarHBondContact OD1-OH 3.03Å; D148-Y196 HydrophobicContact CB-CD1 3.88Å; D148-Y196 HydrophobicContact CB-CD2 4.33Å; D148-Y196 HydrophobicContact CB-CE1 4.4Å; D148-Y196 HydrophobicContact CB-CG 3.85Å; D148-Y196 WeakPolarHBondContact O-CD2 3.45Å; D148-H198 IonicContact OD2-CE1 3.77Å; D148-H198 PolarHBondContact OD2-CE1 2.93Å; D148-H198 IonicContact OD2-NE2 3.39Å
149	G	94.7	Very high	95.6	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.031	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.5	-10.8	168.3	0	0	0	0	0	114.7	T147 P194	T147-G149 PolarHBondContact O-N 3.34Å; G149-P194 VanDerWaalsContact CA-O 3.26Å; G149-P194 WeakPolarHBondContact CA-O 3.2Å; G149-P194 VanDerWaalsContact O-CB 3.24Å; G149-P194 WeakPolarHBondContact O-CB 3.48Å; G149-P194 WeakPolarHBondContact O-CD 3.13Å; G149-P194 VanDerWaalsContact O-CG 3.29Å; G149-P194 WeakPolarHBondContact O-CG 3.44Å
150	F	95.5	Very high	95.9	Very high	2 Å²	2	45 Å²	45	1%	0.009	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-108.8	11.4	176.7	-60.2	-92.8	0	0	0	112.2	T147 D148 Y172 D173 N176 L177 V180 I193	T147-F150 WeakPolarHBondContact O-CA 3.27Å; T147-F150 WeakPolarHBondContact O-CB 3.48Å; T147-F150 PolarHBondContact O-N 3.22Å; D148-F150 PolarHBondContact O-N 3.42Å; D148-F150 VanDerWaalsContact O-N 3.12Å; F150-Y172 HydrophobicContact CB-CD1 4.44Å; F150-Y172 CarbonylContact O-C 3.59Å; F150-Y172 VanDerWaalsContact O-CA 3.3Å; F150-Y172 WeakPolarHBondContact O-CA 3.41Å; F150-D173 PolarHBondContact O-N 2.87Å; F150-N176 HydrophobicContact CD1-CB 4.27Å; F150-L177 HydrophobicContact CB-CB 4.37Å; F150-L177 HydrophobicContact CD1-CB 3.68Å; F150-L177 HydrophobicContact CD1-CD1 4.29Å; F150-L177 HydrophobicContact CD2-CD1 3.85Å; F150-L177 VanDerWaalsContact CE1-CA 3.48Å; F150-L177 HydrophobicContact CE1-CB 4.04Å; F150-L177 HydrophobicContact CE1-CD1 4.14Å; F150-L177 HydrophobicContact CE2-CD1 3.68Å; F150-L177 HydrophobicContact CG-CB 3.93Å; F150-L177 HydrophobicContact CG-CD1 4.14Å; F150-L177 HydrophobicContact CG-CG 4.49Å; F150-L177 HydrophobicContact CZ-CD1 3.82Å; F150-V180 HydrophobicContact CE1-CB 4.17Å; F150-V180 HydrophobicContact CE1-CG2 3.84Å; F150-V180 HydrophobicContact CZ-CB 4.09Å; F150-V180 HydrophobicContact CZ-CG1 4.1Å; F150-V180 HydrophobicContact CZ-CG2 4.03Å; F150-I193 HydrophobicContact CZ-CB 4.09Å; F150-I193 HydrophobicContact CZ-CG2 3.81Å
151	L	95.3	Very high	96	Very high	10 Å²	10	46 Å²	46	5%	0.052	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-67.2	144.6	165.2	-73.6	166.2	0	0	0	109.5	D148 K166 S171 Y172 Y196 I203	D148-L151 HydrophobicContact CB-CD1 4.24Å; D148-L151 WeakPolarHBondContact O-CB 3.49Å; D148-L151 PolarHBondContact O-N 3.13Å; D148-L151 VanDerWaalsContact O-N 3.08Å; L151-K166 HydrophobicContact CD1-CG 4.35Å; L151-K166 HydrophobicContact CD2-CG 4.3Å; L151-S171 WeakPolarHBondContact CA-O 3.39Å; L151-S171 WeakPolarHBondContact CD2-OG 3.4Å; L151-Y172 HydrophobicContact CD1-CE1 4.48Å; L151-Y172 HydrophobicContact CD2-CD1 3.75Å; L151-Y172 HydrophobicContact CD2-CD2 4.07Å; L151-Y172 HydrophobicContact CD2-CE1 3.45Å; L151-Y172 VanDerWaalsContact CD2-CE1 3.45Å; L151-Y172 HydrophobicContact CD2-CE2 3.81Å; L151-Y172 HydrophobicContact CD2-CG 4.04Å; L151-Y172 VanDerWaalsContact CD2-CZ 3.47Å; L151-Y172 HydrophobicContact CG-CD1 3.97Å; L151-Y172 HydrophobicContact CG-CE1 3.56Å; L151-Y196 HydrophobicContact CD1-CD2 4.19Å; L151-Y196 HydrophobicContact CD1-CE2 3.73Å; L151-I203 WeakPolarHBondContact O-CG1 3.49Å
152	Y	96	Very high	95.9	Very high	50 Å²	50	43.8 Å²	43.8	20%	0.196	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-63.3	144.1	165.4	-70.7	-62.8	0	0	0	109.9	V156 S171 Y172 D173	Y152-V156 HydrophobicContact CD1-CG1 4.17Å; Y152-V156 HydrophobicContact CG-CG1 4.05Å; Y152-S171 WeakPolarHBondContact CD2-O 3.5Å; Y152-S171 PolarHBondContact N-O 3.26Å; Y152-Y172 WeakPolarHBondContact CE2-O 3.43Å; Y152-D173 HydrophobicContact CD1-CB 4.27Å; Y152-D173 HydrophobicContact CE1-CB 3.69Å
153	P	96.1	Very high	95.7	Very high	50 Å²	50	45.9 Å²	45.9	33%	0.325	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-55.3	150.2	174.1	-24.5	33.3	0	0	0	111.8	A155 V156 L157 D202 I203	P153-A155 PolarHBondContact O-N 2.97Å; P153-A155 VanDerWaalsContact O-N 3.13Å; P153-V156 WeakPolarHBondContact O-CA 3.29Å; P153-V156 WeakPolarHBondContact O-CB 3.32Å; P153-V156 PolarHBondContact O-N 2.82Å; P153-L157 PolarHBondContact O-N 3.37Å; P153-L157 VanDerWaalsContact O-N 3.1Å; P153-D202 WeakPolarHBondContact CA-OD1 3.28Å; P153-I203 HydrophobicContact CG-CB 4.26Å; P153-I203 HydrophobicContact CG-CG1 4.36Å
154	N	95.6	Very high	95.3	Very high	24 Å²	24	49.2 Å²	49.2	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-54.7	-38.5	-177.2	-69	-18.6	0	0	0	111.9	V156 L157 E158 M163 K166 Y201 D202	N154-V156 VanDerWaalsContact C-N 3.26Å; N154-V156 PolarHBondContact O-N 2.76Å; N154-L157 CarbonylContact O-C 3.6Å; N154-L157 PolarHBondContact O-N 3.05Å; N154-L157 VanDerWaalsContact O-N 3.08Å; N154-E158 WeakPolarHBondContact O-CB 3.25Å; N154-E158 WeakPolarHBondContact O-CG 3.33Å; N154-E158 PolarHBondContact O-N 3.21Å; N154-M163 HydrophobicContact CB-CE 4.27Å; N154-M163 HydrophobicContact CB-SD 4.21Å; N154-M163 VanDerWaalsContact OD1-CE 3.31Å; N154-M163 WeakPolarHBondContact OD1-CE 3.34Å; N154-K166 PolarHBondContact OD1-NZ 2.92Å; N154-Y201 PolarHBondContact ND2-O 3.11Å; N154-D202 VanDerWaalsContact CB-OD2 3.27Å; N154-D202 WeakPolarHBondContact CB-OD2 3.25Å; N154-D202 PolarHBondContact N-OD1 3.48Å; N154-D202 PolarHBondContact N-OD2 2.77Å; N154-D202 WeakPolarHBondContact ND2-CB 3.3Å; N154-D202 VanDerWaalsContact ND2-CG 3.28Å; N154-D202 PolarHBondContact ND2-OD2 3.34Å; N154-D202 PolarHBondContact OD1-OD1 3.29Å
155	A	95.8	Very high	95.1	Very high	66 Å²	66	50.8 Å²	50.8	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-38.6	175.4	0	0	0	0	0	113.2	P153 E159	P153-A155 PolarHBondContact O-N 2.97Å; P153-A155 VanDerWaalsContact O-N 3.13Å; A155-E159 WeakPolarHBondContact O-CB 3.41Å; A155-E159 PolarHBondContact O-N 3.2Å
156	V	96.5	Very high	94.8	Very high	36 Å²	36	51.6 Å²	51.6	22%	0.218	28%	0.275	C	S	.	.	H	α-helix	trans	-74.3	-38.9	176.9	176.6	0	0	0	0	110.9	Y152 P153 N154 E158 E159 R160	Y152-V156 HydrophobicContact CD1-CG1 4.17Å; Y152-V156 HydrophobicContact CG-CG1 4.05Å; P153-V156 WeakPolarHBondContact O-CA 3.29Å; P153-V156 WeakPolarHBondContact O-CB 3.32Å; P153-V156 PolarHBondContact O-N 2.82Å; N154-V156 VanDerWaalsContact C-N 3.26Å; N154-V156 PolarHBondContact O-N 2.76Å; V156-E158 VanDerWaalsContact C-N 3.34Å; V156-E159 PolarHBondContact O-N 3.37Å; V156-R160 WeakPolarHBondContact O-CB 3.24Å; V156-R160 VanDerWaalsContact O-CG 3.26Å; V156-R160 WeakPolarHBondContact O-CG 3.38Å; V156-R160 PolarHBondContact O-N 2.65Å
157	L	96.5	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-39.3	175.7	-61.2	179.1	0	0	0	111.7	P153 N154 R160 G161 I162 M163 K166	P153-L157 PolarHBondContact O-N 3.37Å; P153-L157 VanDerWaalsContact O-N 3.1Å; N154-L157 CarbonylContact O-C 3.6Å; N154-L157 PolarHBondContact O-N 3.05Å; N154-L157 VanDerWaalsContact O-N 3.08Å; L157-R160 PolarHBondContact O-N 2.99Å; L157-G161 PolarHBondContact O-N 3.35Å; L157-I162 HydrophobicContact CB-CG1 4.37Å; L157-I162 HydrophobicContact CD2-CD1 3.83Å; L157-I162 HydrophobicContact CD2-CG1 3.94Å; L157-I162 PolarHBondContact O-N 3.32Å; L157-M163 HydrophobicContact CB-SD 3.66Å; L157-M163 HydrophobicContact CD1-CE 4.46Å; L157-M163 HydrophobicContact CD1-SD 3.98Å; L157-M163 HydrophobicContact CG-SD 4.48Å; L157-K166 HydrophobicContact CD1-CB 4.32Å; L157-K166 HydrophobicContact CD1-CD 3.97Å; L157-K166 HydrophobicContact CD1-CG 3.96Å
158	E	96.3	Very high	94.4	Very high	128 Å²	128	50.1 Å²	50.1	60%	0.598	27%	0.267	S	S	*	.	H	α-helix	trans	-65.2	-48.8	174	-74.6	176.9	-179.9	0	0	111.8	N154 V156 R160 G161 M163	N154-E158 WeakPolarHBondContact O-CB 3.25Å; N154-E158 WeakPolarHBondContact O-CG 3.33Å; N154-E158 PolarHBondContact O-N 3.21Å; V156-E158 VanDerWaalsContact C-N 3.34Å; E158-R160 PolarHBondContact O-N 2.95Å; E158-G161 PolarHBondContact O-N 3.32Å; E158-M163 HydrophobicContact CG-CG 4.41Å; E158-M163 HydrophobicContact CG-SD 4.36Å
159	E	97	Very high	94.2	Very high	168 Å²	168	49.8 Å²	49.8	79%	0.785	27%	0.267	S	S	*	.	H	α-helix	trans	-56.2	-39.7	176.3	-175.9	-174.3	174	0	0	111.6	A155 V156 G161	A155-E159 WeakPolarHBondContact O-CB 3.41Å; A155-E159 PolarHBondContact O-N 3.2Å; V156-E159 PolarHBondContact O-N 3.37Å; E159-G161 VanDerWaalsContact C-N 3.31Å
160	R	96	Very high	94	Very high	125 Å²	125	52.8 Å²	52.8	47%	0.472	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.9	178.3	-68.7	176.9	-172.3	-172.3	6.6	113.7	V156 L157 E158 I162	V156-R160 WeakPolarHBondContact O-CB 3.24Å; V156-R160 VanDerWaalsContact O-CG 3.26Å; V156-R160 WeakPolarHBondContact O-CG 3.38Å; V156-R160 PolarHBondContact O-N 2.65Å; L157-R160 PolarHBondContact O-N 2.99Å; E158-R160 PolarHBondContact O-N 2.95Å; R160-I162 VanDerWaalsContact C-N 3.32Å; R160-I162 HydrophobicContact CB-CD1 4.08Å; R160-I162 HydrophobicContact CB-CG1 3.81Å; R160-I162 PolarHBondContact O-N 3.07Å
161	G	96.3	Very high	94	Very high	57 Å²	57	52.7 Å²	52.7	59%	0.588	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	32.4	-177.9	0	0	0	0	0	113.9	L157 E158 E159	L157-G161 PolarHBondContact O-N 3.35Å; E158-G161 PolarHBondContact O-N 3.32Å; E159-G161 VanDerWaalsContact C-N 3.31Å
162	I	94.5	Very high	93.9	Very high	28 Å²	28	52.6 Å²	52.6	14%	0.144	28%	0.279	C	S	.	.			trans	-121.4	23	-177.3	61	171.3	0	0	0	112.4	L157 R160 D164 R165 E170	L157-I162 HydrophobicContact CB-CG1 4.37Å; L157-I162 HydrophobicContact CD2-CD1 3.83Å; L157-I162 HydrophobicContact CD2-CG1 3.94Å; L157-I162 PolarHBondContact O-N 3.32Å; R160-I162 VanDerWaalsContact C-N 3.32Å; R160-I162 HydrophobicContact CB-CD1 4.08Å; R160-I162 HydrophobicContact CB-CG1 3.81Å; R160-I162 PolarHBondContact O-N 3.07Å; I162-D164 PolarHBondContact O-N 3.39Å; I162-R165 HydrophobicContact CB-CB 4.21Å; I162-R165 CarbonylContact O-C 3.55Å; I162-R165 WeakPolarHBondContact O-CA 3.4Å; I162-R165 WeakPolarHBondContact O-CB 3.16Å; I162-R165 PolarHBondContact O-N 3.39Å; I162-E170 HydrophobicContact CD1-CG 4.27Å
163	M	92.7	Very high	93.7	Very high	60 Å²	60	52.3 Å²	52.3	30%	0.296	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-61.5	-33.7	-179.1	-164.1	60.1	-147.1	0	0	112.3	N154 L157 E158 R165 K166	N154-M163 HydrophobicContact CB-CE 4.27Å; N154-M163 HydrophobicContact CB-SD 4.21Å; N154-M163 VanDerWaalsContact OD1-CE 3.31Å; N154-M163 WeakPolarHBondContact OD1-CE 3.34Å; L157-M163 HydrophobicContact CB-SD 3.66Å; L157-M163 HydrophobicContact CD1-CE 4.46Å; L157-M163 HydrophobicContact CD1-SD 3.98Å; L157-M163 HydrophobicContact CG-SD 4.48Å; E158-M163 HydrophobicContact CG-CG 4.41Å; E158-M163 HydrophobicContact CG-SD 4.36Å; M163-R165 PolarHBondContact O-N 3.07Å; M163-K166 HydrophobicContact CE-CD 3.9Å; M163-K166 PolarHBondContact O-N 3.08Å
164	D	90	Very high	93.4	Very high	111 Å²	111	51.2 Å²	51.2	59%	0.594	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-73.3	-7.2	172.5	67.5	-41.6	0	0	0	113.6	I162	I162-D164 PolarHBondContact O-N 3.39Å
165	R	91.6	Very high	93.2	Very high	65 Å²	65	56.4 Å²	56.4	25%	0.245	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-111	19.5	177.7	-50.3	-159.4	66.9	-169.6	-12.2	112.7	I162 M163 G167 F168 E170	I162-R165 HydrophobicContact CB-CB 4.21Å; I162-R165 CarbonylContact O-C 3.55Å; I162-R165 WeakPolarHBondContact O-CA 3.4Å; I162-R165 WeakPolarHBondContact O-CB 3.16Å; I162-R165 PolarHBondContact O-N 3.39Å; M163-R165 PolarHBondContact O-N 3.07Å; R165-G167 PolarHBondContact O-N 3.02Å; R165-F168 HydrophobicContact CB-CB 4.25Å; R165-F168 HydrophobicContact CB-CD2 3.87Å; R165-F168 HydrophobicContact CB-CG 4.22Å; R165-F168 VanDerWaalsContact NH2-CD1 3.26Å; R165-F168 VanDerWaalsContact O-CB 3.31Å; R165-F168 WeakPolarHBondContact O-CB 3.36Å; R165-F168 VanDerWaalsContact O-CD2 3.32Å; R165-F168 WeakPolarHBondContact O-CD2 3.42Å; R165-F168 PolarHBondContact O-N 3.44Å; R165-E170 IonicContact CZ-OE1 2.76Å; R165-E170 IonicContact NE-OE1 3.43Å; R165-E170 PolarHBondContact NE-OE1 3.22Å; R165-E170 IonicContact NH1-OE1 3.91Å; R165-E170 PolarHBondContact NH1-OE1 3.48Å; R165-E170 IonicContact NH2-OE1 3.94Å; R165-E170 PolarHBondContact NH2-OE1 3.48Å; R165-E170 IonicContact NH2-OE2 2.9Å
166	K	90.5	Very high	93	Very high	19 Å²	19	55.7 Å²	55.7	8%	0.083	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	125.1	171.8	-165.2	169.6	-176.8	172.1	0	110.2	L151 N154 L157 M163 Y196 Y201	L151-K166 HydrophobicContact CD1-CG 4.35Å; L151-K166 HydrophobicContact CD2-CG 4.3Å; N154-K166 PolarHBondContact OD1-NZ 2.92Å; L157-K166 HydrophobicContact CD1-CB 4.32Å; L157-K166 HydrophobicContact CD1-CD 3.97Å; L157-K166 HydrophobicContact CD1-CG 3.96Å; M163-K166 HydrophobicContact CE-CD 3.9Å; M163-K166 PolarHBondContact O-N 3.08Å; K166-Y196 WeakPolarHBondContact CE-OH 3.38Å; K166-Y196 PolarHBondContact NZ-OH 3.33Å; K166-Y201 HydrophobicContact CD-CD1 4.48Å; K166-Y201 HydrophobicContact CD-CE1 3.84Å; K166-Y201 PolarHBondContact NZ-O 3.48Å
167	G	89.9	Confident	92.9	Very high	8 Å²	8	54 Å²	54	8%	0.082	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	96	-10.1	-173.3	0	0	0	0	0	115	R165 S171 I222 N301	R165-G167 PolarHBondContact O-N 3.02Å; G167-S171 PolarHBondContact N-OG 2.86Å; G167-I222 WeakPolarHBondContact O-CD1 3.34Å; G167-N301 VanDerWaalsContact C-ND2 3.35Å; G167-N301 PolarHBondContact O-ND2 3.13Å
168	F	91.3	Very high	92.7	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.018	28%	0.275	C	S	.	.	S	Bend	trans	-78.5	159.9	169.3	-72.7	-102.1	0	0	0	110.3	R165 E170 S171 Y172 V297 K300 N301 Y305	R165-F168 HydrophobicContact CB-CB 4.25Å; R165-F168 HydrophobicContact CB-CD2 3.87Å; R165-F168 HydrophobicContact CB-CG 4.22Å; R165-F168 VanDerWaalsContact NH2-CD1 3.26Å; R165-F168 VanDerWaalsContact O-CB 3.31Å; R165-F168 WeakPolarHBondContact O-CB 3.36Å; R165-F168 VanDerWaalsContact O-CD2 3.32Å; R165-F168 WeakPolarHBondContact O-CD2 3.42Å; R165-F168 PolarHBondContact O-N 3.44Å; F168-E170 HydrophobicContact CB-CG 4.49Å; F168-E170 VanDerWaalsContact CB-OE2 3.3Å; F168-E170 WeakPolarHBondContact CB-OE2 3.31Å; F168-E170 PolarHBondContact O-N 3.08Å; F168-S171 PolarHBondContact N-OG 2.93Å; F168-S171 PolarHBondContact O-N 3.45Å; F168-S171 PolarHBondContact O-OG 3.39Å; F168-Y172 WeakPolarHBondContact O-CD2 3.24Å; F168-V297 HydrophobicContact CE2-CG1 3.83Å; F168-V297 WeakPolarHBondContact CZ-O 3.22Å; F168-K300 HydrophobicContact CZ-CB 4.39Å; F168-K300 HydrophobicContact CZ-CD 4.43Å; F168-K300 HydrophobicContact CZ-CG 4.44Å; F168-N301 HydrophobicContact CD1-CB 4.26Å; F168-N301 HydrophobicContact CD2-CB 4.36Å; F168-N301 HydrophobicContact CE1-CB 3.85Å; F168-N301 HydrophobicContact CE2-CB 3.96Å; F168-N301 HydrophobicContact CZ-CB 3.69Å; F168-Y305 AromaticContact CD1-CD2 3.8Å; F168-Y305 HydrophobicContact CD1-CD2 3.8Å; F168-Y305 AromaticContact CD1-CE2 3.53Å; F168-Y305 HydrophobicContact CD1-CE2 3.53Å; F168-Y305 HydrophobicContact CE1-CD2 4.1Å; F168-Y305 AromaticContact CE1-CE2 3.85Å; F168-Y305 HydrophobicContact CE1-CE2 3.85Å
169	P	89.9	Confident	92.6	Very high	31 Å²	31	53.1 Å²	53.1	20%	0.201	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-51	-37.8	-175.7	-26.3	31.4	0	0	0	114.7	S171 Y172 Y305	P169-S171 VanDerWaalsContact C-N 3.26Å; P169-S171 PolarHBondContact O-N 2.87Å; P169-Y172 PolarHBondContact O-N 2.74Å; P169-Y305 HydrophobicContact CG-CD1 3.42Å; P169-Y305 VanDerWaalsContact CG-CD1 3.42Å; P169-Y305 HydrophobicContact CG-CE1 3.68Å; P169-Y305 HydrophobicContact CG-CG 3.91Å
170	E	91.3	Very high	92.6	Very high	66 Å²	66	45.3 Å²	45.3	31%	0.308	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-70.6	-13.8	-179.9	58.8	-99.3	-112.8	0	0	115.2	I162 R165 F168 Y172	I162-E170 HydrophobicContact CD1-CG 4.27Å; R165-E170 IonicContact CZ-OE1 2.76Å; R165-E170 IonicContact NE-OE1 3.43Å; R165-E170 PolarHBondContact NE-OE1 3.22Å; R165-E170 IonicContact NH1-OE1 3.91Å; R165-E170 PolarHBondContact NH1-OE1 3.48Å; R165-E170 IonicContact NH2-OE1 3.94Å; R165-E170 PolarHBondContact NH2-OE1 3.48Å; R165-E170 IonicContact NH2-OE2 2.9Å; F168-E170 HydrophobicContact CB-CG 4.49Å; F168-E170 VanDerWaalsContact CB-OE2 3.3Å; F168-E170 WeakPolarHBondContact CB-OE2 3.31Å; F168-E170 PolarHBondContact O-N 3.08Å; E170-Y172 VanDerWaalsContact C-N 3.31Å
171	S	94	Very high	92.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-84.9	-5.4	176.4	70.6	0	0	0	0	113.2	L151 Y152 G167 F168 P169	L151-S171 WeakPolarHBondContact CA-O 3.39Å; L151-S171 WeakPolarHBondContact CD2-OG 3.4Å; Y152-S171 WeakPolarHBondContact CD2-O 3.5Å; Y152-S171 PolarHBondContact N-O 3.26Å; G167-S171 PolarHBondContact N-OG 2.86Å; F168-S171 PolarHBondContact N-OG 2.93Å; F168-S171 PolarHBondContact O-N 3.45Å; F168-S171 PolarHBondContact O-OG 3.39Å; P169-S171 VanDerWaalsContact C-N 3.26Å; P169-S171 PolarHBondContact O-N 2.87Å
172	Y	93.6	Very high	92.5	Very high	8 Å²	8	40 Å²	40	3%	0.031	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-105.5	141.3	-178.4	-70	-86.9	0	0	0	112.4	T147 D148 F150 L151 Y152 F168 P169 E170 M174 I222 N223	T147-Y172 VanDerWaalsContact O-CE1 3.29Å; T147-Y172 WeakPolarHBondContact O-CE1 3.44Å; D148-Y172 PolarHBondContact OD1-OH 3.03Å; F150-Y172 HydrophobicContact CB-CD1 4.44Å; F150-Y172 CarbonylContact O-C 3.59Å; F150-Y172 VanDerWaalsContact O-CA 3.3Å; F150-Y172 WeakPolarHBondContact O-CA 3.41Å; L151-Y172 HydrophobicContact CD1-CE1 4.48Å; L151-Y172 HydrophobicContact CD2-CD1 3.75Å; L151-Y172 HydrophobicContact CD2-CD2 4.07Å; L151-Y172 HydrophobicContact CD2-CE1 3.45Å; L151-Y172 VanDerWaalsContact CD2-CE1 3.45Å; L151-Y172 HydrophobicContact CD2-CE2 3.81Å; L151-Y172 HydrophobicContact CD2-CG 4.04Å; L151-Y172 VanDerWaalsContact CD2-CZ 3.47Å; L151-Y172 HydrophobicContact CG-CD1 3.97Å; L151-Y172 HydrophobicContact CG-CE1 3.56Å; Y152-Y172 WeakPolarHBondContact CE2-O 3.43Å; F168-Y172 WeakPolarHBondContact O-CD2 3.24Å; P169-Y172 PolarHBondContact O-N 2.74Å; E170-Y172 VanDerWaalsContact C-N 3.31Å; Y172-M174 VanDerWaalsContact C-N 3.26Å; Y172-M174 HydrophobicContact CG-SD 4.44Å; Y172-M174 PolarHBondContact O-N 2.99Å; Y172-I222 HydrophobicContact CE2-CD1 4.36Å; Y172-I222 HydrophobicContact CE2-CG1 4.39Å; Y172-I222 WeakPolarHBondContact OH-CD1 3.22Å; Y172-I222 WeakPolarHBondContact OH-CG1 3.29Å; Y172-N223 WeakPolarHBondContact CD1-ND2 3.28Å; Y172-N223 HydrophobicContact CE2-CB 4.46Å
173	D	93.1	Very high	92.6	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.241	21%	0.209	C	C	.	.			trans	-78.7	76.3	163.7	-165.6	-16	0	0	0	110.2	F150 Y152 E175 N176 L177	F150-D173 PolarHBondContact O-N 2.87Å; Y152-D173 HydrophobicContact CD1-CB 4.27Å; Y152-D173 HydrophobicContact CE1-CB 3.69Å; D173-E175 PolarHBondContact O-N 2.88Å; D173-N176 HydrophobicContact CB-CB 4.16Å; D173-N176 VanDerWaalsContact CG-CB 3.45Å; D173-N176 PolarHBondContact O-N 2.85Å; D173-N176 WeakPolarHBondContact OD1-CB 3.3Å; D173-N176 PolarHBondContact OD1-N 2.83Å; D173-N176 VanDerWaalsContact OD1-N 3.11Å; D173-L177 PolarHBondContact O-N 3.04Å; D173-L177 VanDerWaalsContact O-N 3.13Å
174	M	89.8	Confident	92.8	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.128	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-26.7	-178.3	-64.9	-59.4	-61.3	0	0	112.8	Y172 L177 I178 N223 V235	Y172-M174 VanDerWaalsContact C-N 3.26Å; Y172-M174 HydrophobicContact CG-SD 4.44Å; Y172-M174 PolarHBondContact O-N 2.99Å; M174-L177 HydrophobicContact CE-CD2 4.19Å; M174-L177 HydrophobicContact SD-CD2 4.32Å; M174-I178 WeakPolarHBondContact O-CG1 3.39Å; M174-I178 PolarHBondContact O-N 2.9Å; M174-I178 VanDerWaalsContact O-N 3.08Å; M174-N223 PolarHBondContact SD-ND2 3.37Å; M174-V235 HydrophobicContact CE-CG2 3.48Å; M174-V235 VanDerWaalsContact CE-CG2 3.48Å
175	E	90	Very high	93.1	Very high	133 Å²	133	35.8 Å²	35.8	62%	0.621	18%	0.177	S	C	*	.	H	α-helix	trans	-65.5	-50.4	175.6	-67.5	-177.4	179.1	0	0	110	D173 L177 I178 D179	D173-E175 PolarHBondContact O-N 2.88Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 2.79Å; E175-I178 PolarHBondContact O-N 2.95Å; E175-D179 PolarHBondContact O-N 3.26Å
176	N	93.2	Very high	93.1	Very high	51 Å²	51	36.7 Å²	36.7	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-60.6	-39.7	176.2	-173.5	32.4	0	0	0	112.4	F150 D173 I178 D179 V180	F150-N176 HydrophobicContact CD1-CB 4.27Å; D173-N176 HydrophobicContact CB-CB 4.16Å; D173-N176 VanDerWaalsContact CG-CB 3.45Å; D173-N176 PolarHBondContact O-N 2.85Å; D173-N176 WeakPolarHBondContact OD1-CB 3.3Å; D173-N176 PolarHBondContact OD1-N 2.83Å; D173-N176 VanDerWaalsContact OD1-N 3.11Å; N176-I178 PolarHBondContact O-N 3.32Å; N176-D179 PolarHBondContact O-N 3.27Å; N176-V180 WeakPolarHBondContact O-CB 3.3Å; N176-V180 WeakPolarHBondContact O-CG2 3.35Å; N176-V180 PolarHBondContact O-N 2.79Å
177	L	94.2	Very high	93.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-44.6	175.8	177.6	57	0	0	0	112.2	T147 F150 D173 M174 E175 V180 L181 V235	T147-L177 HydrophobicContact CG2-CD2 4.28Å; F150-L177 HydrophobicContact CB-CB 4.37Å; F150-L177 HydrophobicContact CD1-CB 3.68Å; F150-L177 HydrophobicContact CD1-CD1 4.29Å; F150-L177 HydrophobicContact CD2-CD1 3.85Å; F150-L177 VanDerWaalsContact CE1-CA 3.48Å; F150-L177 HydrophobicContact CE1-CB 4.04Å; F150-L177 HydrophobicContact CE1-CD1 4.14Å; F150-L177 HydrophobicContact CE2-CD1 3.68Å; F150-L177 HydrophobicContact CG-CB 3.93Å; F150-L177 HydrophobicContact CG-CD1 4.14Å; F150-L177 HydrophobicContact CG-CG 4.49Å; F150-L177 HydrophobicContact CZ-CD1 3.82Å; D173-L177 PolarHBondContact O-N 3.04Å; D173-L177 VanDerWaalsContact O-N 3.13Å; M174-L177 HydrophobicContact CE-CD2 4.19Å; M174-L177 HydrophobicContact SD-CD2 4.32Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 2.79Å; L177-V180 PolarHBondContact O-N 3.48Å; L177-L181 HydrophobicContact CD1-CD1 4.07Å; L177-L181 HydrophobicContact CD1-CG 4.22Å; L177-L181 HydrophobicContact CG-CD1 4.2Å; L177-L181 VanDerWaalsContact O-CG 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.5Å; L177-L181 PolarHBondContact O-N 2.88Å; L177-V235 HydrophobicContact CD2-CG1 4.36Å; L177-V235 HydrophobicContact CD2-CG2 3.77Å; L177-V235 HydrophobicContact CG-CG2 4.08Å
178	I	92.5	Very high	93.5	Very high	14 Å²	14	40 Å²	40	7%	0.072	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-42.2	177.1	-73.1	172.2	0	0	0	110.9	M174 E175 N176 L181 N182 V235 F238	M174-I178 WeakPolarHBondContact O-CG1 3.39Å; M174-I178 PolarHBondContact O-N 2.9Å; M174-I178 VanDerWaalsContact O-N 3.08Å; E175-I178 PolarHBondContact O-N 2.95Å; N176-I178 PolarHBondContact O-N 3.32Å; I178-L181 PolarHBondContact O-N 3.49Å; I178-N182 PolarHBondContact O-N 2.99Å; I178-N182 PolarHBondContact O-ND2 3.34Å; I178-V235 HydrophobicContact CG1-CG2 4.14Å; I178-F238 HydrophobicContact CG2-CE2 4.04Å; I178-F238 HydrophobicContact CG2-CZ 4.12Å
179	D	94.2	Very high	93.7	Very high	96 Å²	96	45.6 Å²	45.6	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-45.2	177.9	-75.6	-14.8	0	0	0	111.4	E175 N176 L181 N182 E183	E175-D179 PolarHBondContact O-N 3.26Å; N176-D179 PolarHBondContact O-N 3.27Å; D179-L181 PolarHBondContact O-N 3.28Å; D179-N182 WeakPolarHBondContact O-CB 3.33Å; D179-N182 PolarHBondContact O-N 3.2Å; D179-E183 WeakPolarHBondContact O-CG 3.33Å; D179-E183 PolarHBondContact O-N 3.46Å
180	V	96.1	Very high	94	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-45.5	174.5	167.5	0	0	0	0	111.4	F150 N176 L177 N182 E183 V184 I191 I193 I211	F150-V180 HydrophobicContact CE1-CB 4.17Å; F150-V180 HydrophobicContact CE1-CG2 3.84Å; F150-V180 HydrophobicContact CZ-CB 4.09Å; F150-V180 HydrophobicContact CZ-CG1 4.1Å; F150-V180 HydrophobicContact CZ-CG2 4.03Å; N176-V180 WeakPolarHBondContact O-CB 3.3Å; N176-V180 WeakPolarHBondContact O-CG2 3.35Å; N176-V180 PolarHBondContact O-N 2.79Å; L177-V180 PolarHBondContact O-N 3.48Å; V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 3.42Å; V180-E183 WeakPolarHBondContact O-CB 3.43Å; V180-E183 PolarHBondContact O-N 2.84Å; V180-E183 VanDerWaalsContact O-N 3.15Å; V180-V184 HydrophobicContact CG1-CG2 4.41Å; V180-V184 WeakPolarHBondContact O-CG2 3.47Å; V180-V184 PolarHBondContact O-N 3.47Å; V180-I191 HydrophobicContact CG1-CG2 4.09Å; V180-I191 HydrophobicContact CG2-CG2 4.21Å; V180-I193 HydrophobicContact CG1-CG2 3.73Å; V180-I193 HydrophobicContact CG2-CG2 4Å; V180-I211 HydrophobicContact CG1-CD1 3.74Å
181	L	95.7	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-34.6	179.5	-68.3	172.3	0	0	0	112.6	I111 L177 I178 D179 V184 K185 L217 V219 V235 F238 F239	I111-L181 HydrophobicContact CD1-CD2 4.25Å; L177-L181 HydrophobicContact CD1-CD1 4.07Å; L177-L181 HydrophobicContact CD1-CG 4.22Å; L177-L181 HydrophobicContact CG-CD1 4.2Å; L177-L181 VanDerWaalsContact O-CG 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.5Å; L177-L181 PolarHBondContact O-N 2.88Å; I178-L181 PolarHBondContact O-N 3.49Å; D179-L181 PolarHBondContact O-N 3.28Å; L181-V184 PolarHBondContact O-N 3.11Å; L181-K185 PolarHBondContact O-N 3.01Å; L181-L217 HydrophobicContact CD2-CD2 4.41Å; L181-V219 HydrophobicContact CD2-CG2 4.11Å; L181-V235 HydrophobicContact CD1-CB 4.45Å; L181-V235 HydrophobicContact CD1-CG1 3.74Å; L181-V235 HydrophobicContact CD1-CG2 4.46Å; L181-F238 HydrophobicContact CB-CB 4.13Å; L181-F238 HydrophobicContact CB-CD1 3.86Å; L181-F238 HydrophobicContact CB-CD2 4.05Å; L181-F238 HydrophobicContact CB-CE1 4.31Å; L181-F238 HydrophobicContact CB-CE2 4.45Å; L181-F238 HydrophobicContact CB-CG 3.73Å; L181-F238 HydrophobicContact CD1-CB 4.25Å; L181-F238 HydrophobicContact CD1-CD2 4.16Å; L181-F238 HydrophobicContact CD1-CG 4.29Å; L181-F239 HydrophobicContact CD1-CE1 4.49Å
182	N	94.8	Very high	94.5	Very high	70 Å²	70	48 Å²	48	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-46.6	169.3	-83.4	-57	0	0	0	111.5	I178 D179 V180 V184 K185 S186 F238	I178-N182 PolarHBondContact O-N 2.99Å; I178-N182 PolarHBondContact O-ND2 3.34Å; D179-N182 WeakPolarHBondContact O-CB 3.33Å; D179-N182 PolarHBondContact O-N 3.2Å; V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 3.42Å; N182-V184 VanDerWaalsContact C-N 3.35Å; N182-V184 PolarHBondContact O-N 3.33Å; N182-K185 PolarHBondContact O-N 2.99Å; N182-S186 PolarHBondContact O-N 2.97Å; N182-F238 HydrophobicContact CB-CE1 4.24Å; N182-F238 WeakPolarHBondContact OD1-CE1 3.31Å; N182-F238 VanDerWaalsContact OD1-CZ 3.28Å; N182-F238 WeakPolarHBondContact OD1-CZ 3.06Å
183	E	96.7	Very high	94.7	Very high	62 Å²	62	47.7 Å²	47.7	29%	0.29	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-42.9	177.6	-71.8	-165.8	155.9	0	0	111.7	D179 V180 S186 G187 K188 I191	D179-E183 WeakPolarHBondContact O-CG 3.33Å; D179-E183 PolarHBondContact O-N 3.46Å; V180-E183 WeakPolarHBondContact O-CB 3.43Å; V180-E183 PolarHBondContact O-N 2.84Å; V180-E183 VanDerWaalsContact O-N 3.15Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.35Å; E183-S186 PolarHBondContact O-OG 3.31Å; E183-G187 PolarHBondContact O-N 2.89Å; E183-K188 HydrophobicContact CB-CB 4.38Å; E183-K188 HydrophobicContact CB-CD 4.04Å; E183-K188 HydrophobicContact CG-CD 3.99Å; E183-K188 WeakPolarHBondContact O-CB 3.38Å; E183-K188 PolarHBondContact O-N 3.43Å; E183-K188 IonicContact OE1-NZ 2.65Å; E183-K188 PolarHBondContact OE1-NZ 3.44Å; E183-K188 WeakPolarHBondContact OE2-CD 3.14Å; E183-K188 IonicContact OE2-NZ 3.12Å; E183-K188 PolarHBondContact OE2-NZ 3.46Å; E183-I191 HydrophobicContact CB-CD1 3.64Å; E183-I191 HydrophobicContact CB-CG1 4.09Å; E183-I191 HydrophobicContact CB-CG2 4.45Å; E183-I191 WeakPolarHBondContact OE2-CG2 3.02Å
184	V	97	Very high	94.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-51.8	174	171.2	0	0	0	0	110.4	P109 I111 V180 L181 N182 S186 G187 I191 I211 L217	P109-V184 HydrophobicContact CB-CG1 3.93Å; P109-V184 VanDerWaalsContact CD-O 3.24Å; P109-V184 WeakPolarHBondContact CD-O 3.28Å; P109-V184 HydrophobicContact CG-CG1 3.87Å; P109-V184 WeakPolarHBondContact CG-O 3.43Å; I111-V184 HydrophobicContact CD1-CB 4.48Å; I111-V184 HydrophobicContact CD1-CG1 3.81Å; I111-V184 HydrophobicContact CG1-CG1 4.43Å; V180-V184 HydrophobicContact CG1-CG2 4.41Å; V180-V184 WeakPolarHBondContact O-CG2 3.47Å; V180-V184 PolarHBondContact O-N 3.47Å; L181-V184 PolarHBondContact O-N 3.11Å; N182-V184 VanDerWaalsContact C-N 3.35Å; N182-V184 PolarHBondContact O-N 3.33Å; V184-S186 PolarHBondContact O-N 2.85Å; V184-G187 WeakPolarHBondContact O-CA 3.22Å; V184-G187 PolarHBondContact O-N 3.1Å; V184-I191 HydrophobicContact CB-CD1 4.33Å; V184-I191 HydrophobicContact CG2-CD1 3.64Å; V184-I211 HydrophobicContact CG2-CD1 3.99Å; V184-I211 HydrophobicContact CG2-CG2 3.98Å; V184-L217 HydrophobicContact CB-CD2 4.37Å; V184-L217 HydrophobicContact CG1-CD2 3.75Å; V184-L217 HydrophobicContact CG2-CD2 3.94Å
185	K	95.2	Very high	95.1	Very high	46 Å²	46	49 Å²	49	20%	0.2	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-24.3	178.5	-78.9	-61.8	-170.8	-177	0	113.3	P108 P109 I111 L181 N182 G187 F238 D240	P108-K185 HydrophobicContact CB-CD 4.06Å; P108-K185 WeakPolarHBondContact CB-O 3.41Å; P109-K185 PolarHBondContact O-NZ 3.22Å; I111-K185 HydrophobicContact CD1-CD 3.95Å; I111-K185 HydrophobicContact CD1-CG 3.97Å; I111-K185 HydrophobicContact CG1-CD 4.39Å; L181-K185 PolarHBondContact O-N 3.01Å; N182-K185 PolarHBondContact O-N 2.99Å; K185-G187 PolarHBondContact O-N 3.49Å; K185-F238 WeakPolarHBondContact CE-O 3.38Å; K185-F238 HydrophobicContact CG-CD1 3.94Å; K185-F238 PolarHBondContact NZ-O 2.8Å; K185-D240 IonicContact NZ-OD1 3.61Å; K185-D240 PolarHBondContact NZ-OD1 3.23Å; K185-D240 IonicContact NZ-OD2 3.42Å; K185-D240 PolarHBondContact NZ-OD2 2.76Å
186	S	93.2	Very high	95.3	Very high	84 Å²	84	43.7 Å²	43.7	59%	0.587	23%	0.231	S	C	*	.	H	α-helix	trans	-75.5	-12.9	172.3	82.5	0	0	0	0	113.6	N182 E183 V184	N182-S186 PolarHBondContact O-N 2.97Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.35Å; E183-S186 PolarHBondContact O-OG 3.31Å; V184-S186 PolarHBondContact O-N 2.85Å
187	G	92.7	Very high	95.1	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	33.1	-176.4	0	0	0	0	0	113	K106 E183 V184 K185	K106-G187 PolarHBondContact NZ-O 3Å; E183-G187 PolarHBondContact O-N 2.89Å; V184-G187 WeakPolarHBondContact O-CA 3.22Å; V184-G187 PolarHBondContact O-N 3.1Å; K185-G187 PolarHBondContact O-N 3.49Å
188	K	95.5	Very high	94.5	Very high	87 Å²	87	47.7 Å²	47.7	38%	0.378	25%	0.25	S	C	.	.			trans	-73.1	136.8	173.1	-176.4	-176.7	174.6	-161.8	0	109.7	E183 I191 S213	E183-K188 HydrophobicContact CB-CB 4.38Å; E183-K188 HydrophobicContact CB-CD 4.04Å; E183-K188 HydrophobicContact CG-CD 3.99Å; E183-K188 WeakPolarHBondContact O-CB 3.38Å; E183-K188 PolarHBondContact O-N 3.43Å; E183-K188 IonicContact OE1-NZ 2.65Å; E183-K188 PolarHBondContact OE1-NZ 3.44Å; E183-K188 WeakPolarHBondContact OE2-CD 3.14Å; E183-K188 IonicContact OE2-NZ 3.12Å; E183-K188 PolarHBondContact OE2-NZ 3.46Å; K188-I191 HydrophobicContact CB-CD1 4.17Å; K188-I191 HydrophobicContact CB-CG1 4.15Å; K188-I191 HydrophobicContact CD-CG1 4.13Å; K188-I191 HydrophobicContact CG-CG1 4.1Å; K188-I191 WeakPolarHBondContact O-CD1 3.44Å; K188-S213 PolarHBondContact O-OG 3.29Å
189	E	95.6	Very high	94	Very high	121 Å²	121	52.3 Å²	52.3	57%	0.565	28%	0.275	S	S	*	.	S	Bend	trans	-88.8	155.9	178.5	-67.9	168.9	-164.5	0	0	111.4	I191 S213	E189-I191 PolarHBondContact O-N 2.82Å; E189-S213 WeakPolarHBondContact CG-OG 3.42Å
190	N	96.6	Very high	93.5	Very high	83 Å²	83	51.9 Å²	51.9	44%	0.444	28%	0.275	S	S	.	.	S	Bend	trans	50.5	49.4	174.8	-60.8	-78.1	0	0	0	114.9	P192 I211 D212	N190-P192 WeakPolarHBondContact O-CD 3.41Å; N190-I211 PolarHBondContact N-O 3.19Å; N190-D212 PolarHBondContact N-OD1 2.63Å; N190-D212 PolarHBondContact ND2-OD1 3.42Å
191	I	97.8	Very high	93.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.1	178.4	-57.4	161.2	0	0	0	109	V180 E183 V184 K188 E189 L210 I211	V180-I191 HydrophobicContact CG1-CG2 4.09Å; V180-I191 HydrophobicContact CG2-CG2 4.21Å; E183-I191 HydrophobicContact CB-CD1 3.64Å; E183-I191 HydrophobicContact CB-CG1 4.09Å; E183-I191 HydrophobicContact CB-CG2 4.45Å; E183-I191 WeakPolarHBondContact OE2-CG2 3.02Å; V184-I191 HydrophobicContact CB-CD1 4.33Å; V184-I191 HydrophobicContact CG2-CD1 3.64Å; K188-I191 HydrophobicContact CB-CD1 4.17Å; K188-I191 HydrophobicContact CB-CG1 4.15Å; K188-I191 HydrophobicContact CD-CG1 4.13Å; K188-I191 HydrophobicContact CG-CG1 4.1Å; K188-I191 WeakPolarHBondContact O-CD1 3.44Å; E189-I191 PolarHBondContact O-N 2.82Å; I191-L210 CarbonylContact O-C 3.56Å; I191-L210 WeakPolarHBondContact O-CA 3.34Å; I191-I211 HydrophobicContact CB-CB 4.24Å; I191-I211 PolarHBondContact N-O 3.11Å; I191-I211 PolarHBondContact O-N 3.39Å
192	P	97.3	Very high	93	Very high	63 Å²	63	56.5 Å²	56.5	41%	0.409	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	134.4	177.9	31.8	-33.2	0	0	0	111.2	N190 Y208 E209 L210	N190-P192 WeakPolarHBondContact O-CD 3.41Å; P192-Y208 HydrophobicContact CB-CD1 3.84Å; P192-Y208 HydrophobicContact CB-CG 4.09Å; P192-E209 CarbonylContact C-O 3.48Å; P192-E209 WeakPolarHBondContact CA-O 3.12Å; P192-L210 HydrophobicContact CB-CD2 4.05Å
193	I	96.9	Very high	92.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.8	169.9	65.4	172	0	0	0	109.7	I145 F150 V180 K195 Y208 E209 I211	I145-I193 HydrophobicContact CB-CD1 3.99Å; I145-I193 HydrophobicContact CG2-CD1 3.68Å; F150-I193 HydrophobicContact CZ-CB 4.09Å; F150-I193 HydrophobicContact CZ-CG2 3.81Å; V180-I193 HydrophobicContact CG1-CG2 3.73Å; V180-I193 HydrophobicContact CG2-CG2 4Å; I193-K195 PolarHBondContact O-N 3.18Å; I193-Y208 CarbonylContact O-C 3.49Å; I193-Y208 WeakPolarHBondContact O-CA 3.08Å; I193-Y208 WeakPolarHBondContact O-CB 3.27Å; I193-E209 HydrophobicContact CD1-CB 4.17Å; I193-E209 HydrophobicContact CG1-CB 3.77Å; I193-E209 WeakPolarHBondContact CG1-O 3.46Å; I193-E209 PolarHBondContact N-O 2.8Å; I193-E209 PolarHBondContact O-N 2.63Å; I193-I211 HydrophobicContact CD1-CD1 4.44Å; I193-I211 HydrophobicContact CD1-CG1 4.4Å; I193-I211 HydrophobicContact CG2-CD1 3.8Å; I193-I211 HydrophobicContact CG2-CG1 4.25Å
194	P	96.5	Very high	92.8	Very high	26 Å²	26	52.9 Å²	52.9	17%	0.169	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.2	-179.7	-14.5	27.1	0	0	0	110.9	G149 I203	G149-P194 VanDerWaalsContact CA-O 3.26Å; G149-P194 WeakPolarHBondContact CA-O 3.2Å; G149-P194 VanDerWaalsContact O-CB 3.24Å; G149-P194 WeakPolarHBondContact O-CB 3.48Å; G149-P194 WeakPolarHBondContact O-CD 3.13Å; G149-P194 VanDerWaalsContact O-CG 3.29Å; G149-P194 WeakPolarHBondContact O-CG 3.44Å; P194-I203 HydrophobicContact CB-CD1 4.31Å; P194-I203 HydrophobicContact CB-CG2 4Å
195	K	95.4	Very high	92.6	Very high	71 Å²	71	60.4 Å²	60.4	31%	0.309	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123	179.1	-175.5	-179.9	174.4	-172.5	0	110.3	I193 I203 V204 E207 E209	I193-K195 PolarHBondContact O-N 3.18Å; K195-I203 WeakPolarHBondContact O-CA 3.36Å; K195-V204 PolarHBondContact O-N 3.32Å; K195-E207 HydrophobicContact CB-CB 4.09Å; K195-E207 WeakPolarHBondContact CB-O 3.33Å; K195-E207 HydrophobicContact CD-CB 3.98Å; K195-E207 VanDerWaalsContact CD-OE2 3.3Å; K195-E207 WeakPolarHBondContact CD-OE2 3.12Å; K195-E207 PolarHBondContact N-O 3.41Å; K195-E207 VanDerWaalsContact N-O 3.08Å; K195-E207 IonicContact NZ-OE2 2.89Å; K195-E207 PolarHBondContact NZ-OE2 3.41Å; K195-E209 HydrophobicContact CB-CG 4.27Å; K195-E209 HydrophobicContact CG-CG 4.17Å
196	Y	93.2	Very high	92.5	Very high	23 Å²	23	60.9 Å²	60.9	9%	0.09	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.6	170.1	-171.7	-92.7	0	0	0	110.4	D148 L151 K166 H198 Y201 I203	D148-Y196 HydrophobicContact CB-CD1 3.88Å; D148-Y196 HydrophobicContact CB-CD2 4.33Å; D148-Y196 HydrophobicContact CB-CE1 4.4Å; D148-Y196 HydrophobicContact CB-CG 3.85Å; D148-Y196 WeakPolarHBondContact O-CD2 3.45Å; L151-Y196 HydrophobicContact CD1-CD2 4.19Å; L151-Y196 HydrophobicContact CD1-CE2 3.73Å; K166-Y196 WeakPolarHBondContact CE-OH 3.38Å; K166-Y196 PolarHBondContact NZ-OH 3.33Å; Y196-H198 AromaticContact CD1-CE1 3.97Å; Y196-H198 AromaticContact CE1-CE1 3.7Å; Y196-H198 AromaticContact CE1-ND1 3.57Å; Y196-Y201 WeakPolarHBondContact OH-CD2 3.29Å; Y196-I203 HydrophobicContact CD2-CD1 3.88Å; Y196-I203 HydrophobicContact CD2-CG1 4.47Å
197	S	89.5	Confident	92.6	Very high	22 Å²	22	61.1 Å²	61.1	15%	0.154	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.3	174.1	170.6	0	0	0	0	110.8	D199 Y201 D202 V204	S197-D199 VanDerWaalsContact C-N 3.26Å; S197-D199 PolarHBondContact O-N 2.75Å; S197-D199 PolarHBondContact OG-N 3.2Å; S197-Y201 VanDerWaalsContact O-CA 3.24Å; S197-Y201 WeakPolarHBondContact O-CA 3.48Å; S197-Y201 PolarHBondContact O-N 2.99Å; S197-D202 PolarHBondContact N-O 2.93Å; S197-D202 PolarHBondContact O-N 2.78Å; S197-V204 VanDerWaalsContact CB-CG2 3.44Å
198	H	83	Confident	92.8	Very high	113 Å²	113	67.5 Å²	67.5	52%	0.523	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	173.4	-69.7	-73.2	0	0	0	113	D148 Y196	D148-H198 IonicContact OD2-CE1 3.77Å; D148-H198 PolarHBondContact OD2-CE1 2.93Å; D148-H198 IonicContact OD2-NE2 3.39Å; Y196-H198 AromaticContact CD1-CE1 3.97Å; Y196-H198 AromaticContact CE1-CE1 3.7Å; Y196-H198 AromaticContact CE1-ND1 3.57Å
199	D	80.6	Confident	92.8	Very high	111 Å²	111	67.1 Å²	67.1	59%	0.594	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-42.6	179.7	-62.6	-29	0	0	0	111.1	S197 Y274	S197-D199 VanDerWaalsContact C-N 3.26Å; S197-D199 PolarHBondContact O-N 2.75Å; S197-D199 PolarHBondContact OG-N 3.2Å; D199-Y274 WeakPolarHBondContact O-CB 3.38Å; D199-Y274 PolarHBondContact O-N 3.4Å
200	V	84.1	Confident	92.8	Very high	86 Å²	86	65.7 Å²	65.7	52%	0.521	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-7.7	175.4	-59.3	0	0	0	0	113.2	D202	V200-D202 VanDerWaalsContact C-N 3.35Å; V200-D202 HydrophobicContact CG2-CB 4.42Å; V200-D202 PolarHBondContact O-N 3.01Å
201	Y	86.9	Confident	92.9	Very high	68 Å²	68	61.8 Å²	61.8	27%	0.267	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	42.7	-179.4	-157.3	-109.7	0	0	0	113.4	N154 K166 Y196 S197 Y274	N154-Y201 PolarHBondContact ND2-O 3.11Å; K166-Y201 HydrophobicContact CD-CD1 4.48Å; K166-Y201 HydrophobicContact CD-CE1 3.84Å; K166-Y201 PolarHBondContact NZ-O 3.48Å; Y196-Y201 WeakPolarHBondContact OH-CD2 3.29Å; S197-Y201 VanDerWaalsContact O-CA 3.24Å; S197-Y201 WeakPolarHBondContact O-CA 3.48Å; S197-Y201 PolarHBondContact O-N 2.99Å; Y201-Y274 HydrophobicContact CD1-CE2 4.19Å; Y201-Y274 HydrophobicContact CG-CD2 4.46Å; Y201-Y274 HydrophobicContact CG-CE1 4.48Å; Y201-Y274 HydrophobicContact CG-CE2 4.4Å
202	D	93.5	Very high	92.8	Very high	34 Å²	34	65.8 Å²	65.8	18%	0.182	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	170.4	-179.1	-153.3	-1.5	0	0	0	112.5	P153 N154 S197 V200	P153-D202 WeakPolarHBondContact CA-OD1 3.28Å; N154-D202 VanDerWaalsContact CB-OD2 3.27Å; N154-D202 WeakPolarHBondContact CB-OD2 3.25Å; N154-D202 PolarHBondContact N-OD1 3.48Å; N154-D202 PolarHBondContact N-OD2 2.77Å; N154-D202 WeakPolarHBondContact ND2-CB 3.3Å; N154-D202 VanDerWaalsContact ND2-CG 3.28Å; N154-D202 PolarHBondContact ND2-OD2 3.34Å; N154-D202 PolarHBondContact OD1-OD1 3.29Å; S197-D202 PolarHBondContact N-O 2.93Å; S197-D202 PolarHBondContact O-N 2.78Å; V200-D202 VanDerWaalsContact C-N 3.35Å; V200-D202 HydrophobicContact CG2-CB 4.42Å; V200-D202 PolarHBondContact O-N 3.01Å
203	I	94.5	Very high	92.6	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.128	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.4	163.7	-58.9	-65.6	0	0	0	109	L151 P153 P194 K195 Y196 D205	L151-I203 WeakPolarHBondContact O-CG1 3.49Å; P153-I203 HydrophobicContact CG-CB 4.26Å; P153-I203 HydrophobicContact CG-CG1 4.36Å; P194-I203 HydrophobicContact CB-CD1 4.31Å; P194-I203 HydrophobicContact CB-CG2 4Å; K195-I203 WeakPolarHBondContact O-CA 3.36Å; Y196-I203 HydrophobicContact CD2-CD1 3.88Å; Y196-I203 HydrophobicContact CD2-CG1 4.47Å; I203-D205 PolarHBondContact O-N 3.05Å
204	V	94	Very high	92.6	Very high	31 Å²	31	64.6 Å²	64.6	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110.8	178.3	-172.5	0	0	0	0	108.8	K195 S197 G206 E207	K195-V204 PolarHBondContact O-N 3.32Å; S197-V204 VanDerWaalsContact CB-CG2 3.44Å; V204-G206 PolarHBondContact O-N 3.11Å; V204-E207 HydrophobicContact CB-CB 4.04Å; V204-E207 HydrophobicContact CB-CG 4.44Å; V204-E207 HydrophobicContact CG1-CB 3.9Å; V204-E207 VanDerWaalsContact CG1-CD 3.42Å; V204-E207 HydrophobicContact CG1-CG 3.74Å; V204-E207 WeakPolarHBondContact CG1-OE1 3.24Å; V204-E207 PolarHBondContact O-N 3.28Å; V204-E207 VanDerWaalsContact O-N 3.1Å
205	D	92.1	Very high	92.6	Very high	161 Å²	161	67.1 Å²	67.1	86%	0.861	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	129.7	-174.4	-172.8	34.6	0	0	0	112.2	I203 E207	I203-D205 PolarHBondContact O-N 3.05Å; D205-E207 PolarHBondContact O-N 2.72Å
206	G	93.3	Very high	92.8	Very high	56 Å²	56	63.7 Å²	63.7	58%	0.577	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	70.9	-1.8	-179	0	0	0	0	0	116.3	V204	V204-G206 PolarHBondContact O-N 3.11Å
207	E	95.8	Very high	93	Very high	89 Å²	89	62.6 Å²	62.6	42%	0.416	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.6	176.9	-69.2	-169.1	-148.1	0	0	112.1	K195 V204 D205	K195-E207 HydrophobicContact CB-CB 4.09Å; K195-E207 WeakPolarHBondContact CB-O 3.33Å; K195-E207 HydrophobicContact CD-CB 3.98Å; K195-E207 VanDerWaalsContact CD-OE2 3.3Å; K195-E207 WeakPolarHBondContact CD-OE2 3.12Å; K195-E207 PolarHBondContact N-O 3.41Å; K195-E207 VanDerWaalsContact N-O 3.08Å; K195-E207 IonicContact NZ-OE2 2.89Å; K195-E207 PolarHBondContact NZ-OE2 3.41Å; V204-E207 HydrophobicContact CB-CB 4.04Å; V204-E207 HydrophobicContact CB-CG 4.44Å; V204-E207 HydrophobicContact CG1-CB 3.9Å; V204-E207 VanDerWaalsContact CG1-CD 3.42Å; V204-E207 HydrophobicContact CG1-CG 3.74Å; V204-E207 WeakPolarHBondContact CG1-OE1 3.24Å; V204-E207 PolarHBondContact O-N 3.28Å; V204-E207 VanDerWaalsContact O-N 3.1Å; D205-E207 PolarHBondContact O-N 2.72Å
208	Y	96	Very high	93.4	Very high	144 Å²	144	61.6 Å²	61.6	57%	0.565	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.6	-179.7	-62.2	-94.4	0	0	0	110.5	P192 I193	P192-Y208 HydrophobicContact CB-CD1 3.84Å; P192-Y208 HydrophobicContact CB-CG 4.09Å; I193-Y208 CarbonylContact O-C 3.49Å; I193-Y208 WeakPolarHBondContact O-CA 3.08Å; I193-Y208 WeakPolarHBondContact O-CB 3.27Å
209	E	95.3	Very high	94.1	Very high	79 Å²	79	56.2 Å²	56.2	37%	0.369	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	151.2	159.8	-59.5	-176.5	170.9	0	0	108.7	P192 I193 K195	P192-E209 CarbonylContact C-O 3.48Å; P192-E209 WeakPolarHBondContact CA-O 3.12Å; I193-E209 HydrophobicContact CD1-CB 4.17Å; I193-E209 HydrophobicContact CG1-CB 3.77Å; I193-E209 WeakPolarHBondContact CG1-O 3.46Å; I193-E209 PolarHBondContact N-O 2.8Å; I193-E209 PolarHBondContact O-N 2.63Å; K195-E209 HydrophobicContact CB-CG 4.27Å; K195-E209 HydrophobicContact CG-CG 4.17Å
210	L	97.3	Very high	94.9	Very high	91 Å²	91	51.4 Å²	51.4	48%	0.476	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.3	179.8	-62.1	-179.2	0	0	0	110.2	Q143 I191 P192	Q143-L210 PolarHBondContact NE2-O 2.79Å; I191-L210 CarbonylContact O-C 3.56Å; I191-L210 WeakPolarHBondContact O-CA 3.34Å; P192-L210 HydrophobicContact CB-CD2 4.05Å
211	I	97.6	Very high	95.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.3	164.5	-52.6	170.3	0	0	0	108.2	I145 V180 V184 N190 I191 I193 P214 L217	I145-I211 HydrophobicContact CD1-CD1 3.88Å; I145-I211 HydrophobicContact CG2-CD1 3.99Å; I145-I211 HydrophobicContact CG2-CG1 3.87Å; V180-I211 HydrophobicContact CG1-CD1 3.74Å; V184-I211 HydrophobicContact CG2-CD1 3.99Å; V184-I211 HydrophobicContact CG2-CG2 3.98Å; N190-I211 PolarHBondContact N-O 3.19Å; I191-I211 HydrophobicContact CB-CB 4.24Å; I191-I211 PolarHBondContact N-O 3.11Å; I191-I211 PolarHBondContact O-N 3.39Å; I193-I211 HydrophobicContact CD1-CD1 4.44Å; I193-I211 HydrophobicContact CD1-CG1 4.4Å; I193-I211 HydrophobicContact CG2-CD1 3.8Å; I193-I211 HydrophobicContact CG2-CG1 4.25Å; I211-P214 HydrophobicContact CG2-CG 4.03Å; I211-L217 HydrophobicContact CD1-CD2 4.5Å; I211-L217 HydrophobicContact CG2-CD1 4.26Å
212	D	96	Very high	95.4	Very high	86 Å²	86	44.7 Å²	44.7	46%	0.46	24%	0.24	S	C	.	.			trans	-112.5	73.9	-173	-165.9	31.1	0	0	0	112.2	N190	N190-D212 PolarHBondContact N-OD1 2.63Å; N190-D212 PolarHBondContact ND2-OD1 3.42Å
213	S	93.6	Very high	95	Very high	35 Å²	35	43.1 Å²	43.1	25%	0.245	23%	0.232	C	C	.	.			trans	39.7	57.4	177.2	-70.8	0	0	0	0	115.1	K188 E189	K188-S213 PolarHBondContact O-OG 3.29Å; E189-S213 WeakPolarHBondContact CG-OG 3.42Å
214	P	97.1	Very high	94.5	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.032	23%	0.225	C	C	.	.			trans	-68.1	150.5	178.1	31.8	-37.6	0	0	0	111.4	P109 T141 Q143 I211 I216 L217	P109-P214 VanDerWaalsContact CB-O 3.25Å; P109-P214 WeakPolarHBondContact CB-O 3.46Å; P109-P214 VanDerWaalsContact CG-O 3.32Å; P109-P214 WeakPolarHBondContact CG-O 3.04Å; T141-P214 VanDerWaalsContact OG1-CA 3.3Å; T141-P214 WeakPolarHBondContact OG1-CA 3.41Å; Q143-P214 HydrophobicContact CB-CB 3.75Å; Q143-P214 HydrophobicContact CB-CG 3.95Å; I211-P214 HydrophobicContact CG2-CG 4.03Å; P214-I216 VanDerWaalsContact C-N 3.33Å; P214-I216 WeakPolarHBondContact CB-O 3.48Å; P214-L217 HydrophobicContact CG-CB 4.06Å; P214-L217 HydrophobicContact CG-CD1 4.24Å
215	D	96.7	Very high	94.1	Very high	78 Å²	78	40.4 Å²	40.4	42%	0.417	22%	0.217	S	C	.	.	S	Bend	trans	-69	-36.5	169.2	-65.6	-68.8	0	0	0	111	F110 Q140 T141	F110-D215 PolarHBondContact N-O 2.97Å; Q140-D215 VanDerWaalsContact CA-OD2 3.24Å; Q140-D215 WeakPolarHBondContact CA-OD2 3.4Å; Q140-D215 HydrophobicContact CB-CB 3.84Å; Q140-D215 HydrophobicContact CG-CB 4.07Å; T141-D215 PolarHBondContact N-OD2 2.9Å; T141-D215 PolarHBondContact O-N 2.95Å; T141-D215 VanDerWaalsContact O-N 3.08Å; T141-D215 PolarHBondContact OG1-N 2.75Å; T141-D215 PolarHBondContact OG1-OD2 3.38Å
216	I	98	Very high	93.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.9	175.1	-55.1	170.3	0	0	0	109.6	M87 F110 I112 L133 F137 T141 V142 Q143 P214 I218	M87-I216 HydrophobicContact CE-CD1 3.62Å; M87-I216 HydrophobicContact CE-CG1 3.6Å; M87-I216 HydrophobicContact SD-CD1 3.66Å; M87-I216 HydrophobicContact SD-CG1 4.11Å; F110-I216 CarbonylContact O-C 3.58Å; F110-I216 VanDerWaalsContact O-CA 3.29Å; F110-I216 WeakPolarHBondContact O-CA 3.42Å; I112-I216 HydrophobicContact CD1-CG2 3.91Å; I112-I216 HydrophobicContact CG1-CG2 4.34Å; L133-I216 HydrophobicContact CB-CD1 4.4Å; L133-I216 HydrophobicContact CD1-CD1 4.42Å; L133-I216 HydrophobicContact CD1-CG2 4.41Å; F137-I216 HydrophobicContact CD2-CD1 4.1Å; T141-I216 PolarHBondContact O-N 2.84Å; V142-I216 WeakPolarHBondContact CA-O 3.5Å; V142-I216 HydrophobicContact CG1-CB 4.09Å; V142-I216 HydrophobicContact CG1-CG2 4.11Å; V142-I216 HydrophobicContact CG2-CB 4.25Å; V142-I216 HydrophobicContact CG2-CD1 4.02Å; Q143-I216 PolarHBondContact N-O 3.47Å; P214-I216 VanDerWaalsContact C-N 3.33Å; P214-I216 WeakPolarHBondContact CB-O 3.48Å; I216-I218 HydrophobicContact CG2-CG1 4.42Å
217	L	98.3	Very high	92.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.1	169.8	-177.6	66.9	0	0	0	110.1	F110 I111 I112 Q143 I145 L181 V184 I211 P214 V219	F110-L217 PolarHBondContact O-N 3.04Å; I111-L217 CarbonylContact C-O 3.53Å; I111-L217 VanDerWaalsContact CA-O 3.28Å; I111-L217 WeakPolarHBondContact CA-O 3.32Å; I111-L217 HydrophobicContact CD1-CD2 4.46Å; I111-L217 HydrophobicContact CG1-CB 4.32Å; I111-L217 HydrophobicContact CG2-CB 4.5Å; I112-L217 PolarHBondContact N-O 2.92Å; Q143-L217 HydrophobicContact CB-CD1 4.15Å; Q143-L217 HydrophobicContact CG-CD1 4.28Å; Q143-L217 CarbonylContact O-C 3.57Å; Q143-L217 WeakPolarHBondContact O-CA 3.41Å; I145-L217 HydrophobicContact CD1-CD1 4.42Å; I145-L217 HydrophobicContact CD1-CD2 4.2Å; I145-L217 HydrophobicContact CG1-CD1 4.17Å; I145-L217 HydrophobicContact CG2-CD1 4.02Å; L181-L217 HydrophobicContact CD2-CD2 4.41Å; V184-L217 HydrophobicContact CB-CD2 4.37Å; V184-L217 HydrophobicContact CG1-CD2 3.75Å; V184-L217 HydrophobicContact CG2-CD2 3.94Å; I211-L217 HydrophobicContact CD1-CD2 4.5Å; I211-L217 HydrophobicContact CG2-CD1 4.26Å; P214-L217 HydrophobicContact CG-CB 4.06Å; P214-L217 HydrophobicContact CG-CD1 4.24Å; L217-V219 HydrophobicContact CD2-CG2 3.93Å; L217-V219 HydrophobicContact CG-CG2 3.95Å
218	I	98.3	Very high	91.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.6	169.2	-56.4	174.7	0	0	0	108.2	I112 I114 A126 L129 Q130 L133 V142 Q143 L144 I145 I216	I112-I218 HydrophobicContact CB-CG1 4.39Å; I112-I218 HydrophobicContact CD1-CG1 4.5Å; I112-I218 CarbonylContact O-C 3.55Å; I112-I218 WeakPolarHBondContact O-CA 3.31Å; I114-I218 HydrophobicContact CD1-CG2 3.55Å; I114-I218 HydrophobicContact CG1-CG2 4.09Å; A126-I218 HydrophobicContact CB-CG2 4.17Å; L129-I218 HydrophobicContact CB-CD1 4.14Å; Q130-I218 HydrophobicContact CB-CD1 3.95Å; L133-I218 HydrophobicContact CD1-CD1 4.2Å; V142-I218 HydrophobicContact CG1-CD1 4.07Å; V142-I218 HydrophobicContact CG1-CG1 4.37Å; Q143-I218 PolarHBondContact O-N 2.84Å; L144-I218 WeakPolarHBondContact CA-O 3.43Å; L144-I218 HydrophobicContact CD1-CB 3.85Å; L144-I218 HydrophobicContact CD1-CG2 3.62Å; I145-I218 PolarHBondContact N-O 2.97Å; I216-I218 HydrophobicContact CG2-CG1 4.42Å
219	V	97.6	Very high	89.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.9	177.3	-173	0	0	0	0	108.2	I111 I112 G113 I114 I145 T147 L181 L217 T224 F239	I111-V219 HydrophobicContact CG2-CG2 3.74Å; I112-V219 PolarHBondContact O-N 3.15Å; G113-V219 CarbonylContact C-O 3.53Å; G113-V219 WeakPolarHBondContact CA-O 3.49Å; I114-V219 PolarHBondContact N-O 2.81Å; I145-V219 HydrophobicContact CD1-CG1 4.25Å; I145-V219 HydrophobicContact CD1-CG2 3.98Å; I145-V219 HydrophobicContact CG1-CB 4.27Å; I145-V219 HydrophobicContact CG1-CG1 4.15Å; I145-V219 HydrophobicContact CG1-CG2 3.93Å; T147-V219 HydrophobicContact CG2-CG1 4.01Å; L181-V219 HydrophobicContact CD2-CG2 4.11Å; L217-V219 HydrophobicContact CD2-CG2 3.93Å; L217-V219 HydrophobicContact CG-CG2 3.95Å; V219-T224 HydrophobicContact CG1-CG2 4.09Å; V219-F239 HydrophobicContact CB-CE1 4.1Å; V219-F239 HydrophobicContact CB-CZ 4.29Å; V219-F239 HydrophobicContact CG1-CE1 4.46Å; V219-F239 HydrophobicContact CG1-CZ 4.4Å; V219-F239 HydrophobicContact CG2-CE1 4.21Å
220	E	96.2	Very high	87.8	Confident	11 Å²	11	33.3 Å²	33.3	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.3	179.8	-172.6	-106.5	139.7	0	0	111.8	I114 K122 S123 A126 L144 I145 T146 T147	I114-E220 HydrophobicContact CB-CB 4.4Å; I114-E220 HydrophobicContact CB-CG 4.27Å; I114-E220 HydrophobicContact CG2-CG 4.32Å; K122-E220 HydrophobicContact CB-CG 3.7Å; K122-E220 WeakPolarHBondContact CB-OE1 3.41Å; K122-E220 WeakPolarHBondContact CE-OE1 3.34Å; K122-E220 IonicContact NZ-OE1 3.83Å; S123-E220 VanDerWaalsContact CA-OE2 3.23Å; S123-E220 WeakPolarHBondContact CA-OE2 3.44Å; S123-E220 WeakPolarHBondContact CB-OE2 3.3Å; S123-E220 PolarHBondContact OG-OE1 3.08Å; S123-E220 PolarHBondContact OG-OE2 2.89Å; A126-E220 HydrophobicContact CB-CB 3.98Å; A126-E220 HydrophobicContact CB-CG 4.08Å; L144-E220 HydrophobicContact CD1-CB 4.24Å; I145-E220 PolarHBondContact O-N 3.37Å; T146-E220 CarbonylContact C-O 3.56Å; T146-E220 VanDerWaalsContact CA-O 3.29Å; T146-E220 WeakPolarHBondContact CA-O 3.31Å; T147-E220 PolarHBondContact N-O 3.26Å
221	G	93.7	Very high	86.1	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.01	18%	0.182	C	C	.	.			trans	179.4	164.4	-179.5	0	0	0	0	0	113.7	I114 A115 T147 N223 T224	I114-G221 PolarHBondContact O-N 3.12Å; I114-G221 VanDerWaalsContact O-O 3.1Å; A115-G221 WeakPolarHBondContact CA-O 3.29Å; T147-G221 WeakPolarHBondContact OG1-CA 3.44Å; G221-N223 VanDerWaalsContact C-N 3.31Å; G221-T224 PolarHBondContact O-OG1 2.84Å
222	I	87.9	Confident	84.7	Confident	12 Å²	12	40 Å²	40	6%	0.062	22%	0.224	C	C	.	.	S	Bend	trans	-76.4	-22.1	173.9	59.2	-179.7	0	0	0	112.5	V118 G167 Y172 I306	V118-I222 HydrophobicContact CG2-CG2 4.16Å; G167-I222 WeakPolarHBondContact O-CD1 3.34Å; Y172-I222 HydrophobicContact CE2-CD1 4.36Å; Y172-I222 HydrophobicContact CE2-CG1 4.39Å; Y172-I222 WeakPolarHBondContact OH-CD1 3.22Å; Y172-I222 WeakPolarHBondContact OH-CG1 3.29Å; I222-I306 HydrophobicContact CB-CD1 3.78Å; I222-I306 HydrophobicContact CB-CG1 4.32Å; I222-I306 HydrophobicContact CG2-CD1 4.09Å
223	N	85.5	Confident	83.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-104.1	2.3	-174.5	64.8	-15.3	0	0	0	114.5	T147 Y172 M174 G221 L225 Q226	T147-N223 WeakPolarHBondContact CB-OD1 3.5Å; T147-N223 VanDerWaalsContact CG2-OD1 3.28Å; T147-N223 WeakPolarHBondContact CG2-OD1 3.01Å; T147-N223 PolarHBondContact OG1-OD1 2.89Å; T147-N223 VanDerWaalsContact OG1-OD1 3.08Å; Y172-N223 WeakPolarHBondContact CD1-ND2 3.28Å; Y172-N223 HydrophobicContact CE2-CB 4.46Å; M174-N223 PolarHBondContact SD-ND2 3.37Å; G221-N223 VanDerWaalsContact C-N 3.31Å; N223-L225 PolarHBondContact O-N 3.29Å; N223-L225 VanDerWaalsContact O-N 3.13Å; N223-Q226 VanDerWaalsContact CA-CD 3.41Å; N223-Q226 HydrophobicContact CB-CB 4.3Å; N223-Q226 VanDerWaalsContact CB-CD 3.43Å; N223-Q226 HydrophobicContact CB-CG 4.12Å; N223-Q226 WeakPolarHBondContact O-CB 3.3Å; N223-Q226 PolarHBondContact O-N 3.42Å
224	T	83.6	Confident	83.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.6	-174	50.4	0	0	0	0	113.1	I114 A115 T147 V219 G221 F239	I114-T224 PolarHBondContact O-OG1 3.26Å; A115-T224 WeakPolarHBondContact CA-OG1 3.37Å; A115-T224 VanDerWaalsContact CB-OG1 3.27Å; A115-T224 WeakPolarHBondContact CB-OG1 3.14Å; T147-T224 HydrophobicContact CG2-CG2 3.66Å; V219-T224 HydrophobicContact CG1-CG2 4.09Å; G221-T224 PolarHBondContact O-OG1 2.84Å; T224-F239 HydrophobicContact CG2-CZ 4.24Å; T224-F239 WeakPolarHBondContact O-CE2 3.29Å
225	L	86.5	Confident	82.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	6.7	176	-61.5	179.5	0	0	0	114.1	A115 N223 F239 Y244 T309 A313	A115-L225 HydrophobicContact CB-CB 4.32Å; A115-L225 HydrophobicContact CB-CD1 3.64Å; A115-L225 HydrophobicContact CB-CG 3.77Å; N223-L225 PolarHBondContact O-N 3.29Å; N223-L225 VanDerWaalsContact O-N 3.13Å; L225-F239 HydrophobicContact CD2-CD2 4.19Å; L225-F239 HydrophobicContact CD2-CE2 4.27Å; L225-Y244 HydrophobicContact CD1-CD2 4.37Å; L225-T309 WeakPolarHBondContact CB-OG1 3.24Å; L225-T309 VanDerWaalsContact O-CB 3.31Å; L225-T309 WeakPolarHBondContact O-CB 3.5Å; L225-T309 WeakPolarHBondContact O-CG2 3.4Å; L225-A313 HydrophobicContact CD1-CB 3.88Å
226	Q	80.7	Confident	82.2	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.037	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66	145.5	-178.2	-79.5	176.2	6.7	0	0	112.2	N223 T309	N223-Q226 VanDerWaalsContact CA-CD 3.41Å; N223-Q226 HydrophobicContact CB-CB 4.3Å; N223-Q226 VanDerWaalsContact CB-CD 3.43Å; N223-Q226 HydrophobicContact CB-CG 4.12Å; N223-Q226 WeakPolarHBondContact O-CB 3.3Å; N223-Q226 PolarHBondContact O-N 3.42Å; Q226-T309 HydrophobicContact CG-CG2 4.43Å
227	L	70.1	Confident	81.8	Confident	86 Å²	86	43.8 Å²	43.8	45%	0.45	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-82.3	121.6	166.9	-82.6	169.5	0	0	0	108.5	Y234 R312	L227-Y234 HydrophobicContact CD2-CD1 3.63Å; L227-Y234 HydrophobicContact CD2-CE1 3.16Å; L227-R312 VanDerWaalsContact CG-CZ 3.41Å
228	P	66	Low	81.6	Confident	29 Å²	29	44.7 Å²	44.7	19%	0.188	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.7	139	168.2	30.3	-33.9	0	0	0	108.7	N230 Q231 Y234	P228-N230 VanDerWaalsContact C-N 3.26Å; P228-Q231 HydrophobicContact CB-CB 3.65Å; P228-Q231 HydrophobicContact CB-CG 4.24Å; P228-Q231 HydrophobicContact CG-CB 3.85Å; P228-Q231 VanDerWaalsContact CG-O 3.31Å; P228-Q231 WeakPolarHBondContact CG-O 3.48Å; P228-Y234 VanDerWaalsContact CD-CE1 3.47Å; P228-Y234 HydrophobicContact CG-CD1 3.75Å; P228-Y234 HydrophobicContact CG-CE1 3.81Å
229	A	61.6	Low	81.4	Confident	97 Å²	97	45.7 Å²	45.7	80%	0.802	25%	0.245	S	C	*	.	S	Bend	trans	-70.1	-28.5	169.6	0	0	0	0	0	111.5
230	N	61.8	Low	81.4	Confident	160 Å²	160	47.7 Å²	47.7	86%	0.856	26%	0.256	S	S	*	.	S	Bend	trans	-135	9.8	-164.2	-64.7	-28.9	0	0	0	115.5	P228	P228-N230 VanDerWaalsContact C-N 3.26Å
231	Q	62.1	Low	81.5	Confident	46 Å²	46	47.2 Å²	47.2	22%	0.215	25%	0.254	C	S	.	.			trans	-118.8	148.1	177.9	-63.4	174.1	-26.1	0	0	110.4	P228	P228-Q231 HydrophobicContact CB-CB 3.65Å; P228-Q231 HydrophobicContact CB-CG 4.24Å; P228-Q231 HydrophobicContact CG-CB 3.85Å; P228-Q231 VanDerWaalsContact CG-O 3.31Å; P228-Q231 WeakPolarHBondContact CG-O 3.48Å
232	Q	67.3	Low	81.7	Confident	187 Å²	187	47.5 Å²	47.5	87%	0.874	26%	0.256	S	S	*	.	S	Bend	trans	-84.3	-22.8	-179	-67.5	-174.3	-0.4	0	0	113.3
233	I	75	Confident	82.2	Confident	78 Å²	78	46.9 Å²	46.9	40%	0.4	25%	0.253	S	S	.	.	S	Bend	trans	-106.6	134.8	-177.6	-60.4	173.7	0	0	0	108.1	F238	I233-F238 HydrophobicContact CG2-CE2 3.57Å; I233-F238 HydrophobicContact CG2-CZ 4.03Å
234	Y	80.4	Confident	82.7	Confident	76 Å²	76	47 Å²	47	30%	0.298	25%	0.253	S	S	.	.			trans	-92.2	141.5	177	-52.2	-64.2	0	0	0	109.9	L227 P228 S236 D237	L227-Y234 HydrophobicContact CD2-CD1 3.63Å; L227-Y234 HydrophobicContact CD2-CE1 3.16Å; P228-Y234 VanDerWaalsContact CD-CE1 3.47Å; P228-Y234 HydrophobicContact CG-CD1 3.75Å; P228-Y234 HydrophobicContact CG-CE1 3.81Å; Y234-S236 WeakPolarHBondContact CB-OG 3.46Å; Y234-S236 PolarHBondContact O-N 3.33Å; Y234-D237 WeakPolarHBondContact CB-OD2 3.32Å; Y234-D237 VanDerWaalsContact CD2-OD2 3.23Å; Y234-D237 WeakPolarHBondContact CD2-OD2 3.32Å; Y234-D237 PolarHBondContact N-OD2 3.5Å; Y234-D237 VanDerWaalsContact O-CB 3.29Å; Y234-D237 WeakPolarHBondContact O-CB 3.33Å; Y234-D237 PolarHBondContact O-N 2.95Å
235	V	87.1	Confident	83.4	Confident	3 Å²	3	47 Å²	47	2%	0.018	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-54.1	-37.5	168.5	166.7	0	0	0	0	110.5	M174 L177 I178 L181 D237 F238 F239	M174-V235 HydrophobicContact CE-CG2 3.48Å; M174-V235 VanDerWaalsContact CE-CG2 3.48Å; L177-V235 HydrophobicContact CD2-CG1 4.36Å; L177-V235 HydrophobicContact CD2-CG2 3.77Å; L177-V235 HydrophobicContact CG-CG2 4.08Å; I178-V235 HydrophobicContact CG1-CG2 4.14Å; L181-V235 HydrophobicContact CD1-CB 4.45Å; L181-V235 HydrophobicContact CD1-CG1 3.74Å; L181-V235 HydrophobicContact CD1-CG2 4.46Å; V235-D237 PolarHBondContact O-N 3.23Å; V235-F238 WeakPolarHBondContact O-CB 3.48Å; V235-F238 PolarHBondContact O-N 3.31Å; V235-F238 VanDerWaalsContact O-N 3.16Å; V235-F239 HydrophobicContact CG1-CE1 3.97Å; V235-F239 HydrophobicContact CG1-CE2 4.11Å; V235-F239 HydrophobicContact CG1-CZ 3.45Å; V235-F239 VanDerWaalsContact CG1-CZ 3.45Å
236	S	87.9	Confident	83.9	Confident	28 Å²	28	47.5 Å²	47.5	20%	0.196	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.1	-20.8	175.6	60.5	0	0	0	0	114.8	Y234 F238 F239	Y234-S236 WeakPolarHBondContact CB-OG 3.46Å; Y234-S236 PolarHBondContact O-N 3.33Å; S236-F238 PolarHBondContact O-N 2.86Å; S236-F239 PolarHBondContact O-N 3.21Å
237	D	90	Very high	84.6	Confident	97 Å²	97	47.6 Å²	47.6	52%	0.519	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-69.8	-17	177.5	-62.3	-27.3	0	0	0	112.2	Y234 V235	Y234-D237 WeakPolarHBondContact CB-OD2 3.32Å; Y234-D237 VanDerWaalsContact CD2-OD2 3.23Å; Y234-D237 WeakPolarHBondContact CD2-OD2 3.32Å; Y234-D237 PolarHBondContact N-OD2 3.5Å; Y234-D237 VanDerWaalsContact O-CB 3.29Å; Y234-D237 WeakPolarHBondContact O-CB 3.33Å; Y234-D237 PolarHBondContact O-N 2.95Å; V235-D237 PolarHBondContact O-N 3.23Å
238	F	93.4	Very high	85.9	Confident	19 Å²	19	47 Å²	47	8%	0.083	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-87.2	-14.8	175	-66.1	-85	0	0	0	113.2	I178 L181 N182 K185 I233 V235 S236	I178-F238 HydrophobicContact CG2-CE2 4.04Å; I178-F238 HydrophobicContact CG2-CZ 4.12Å; L181-F238 HydrophobicContact CB-CB 4.13Å; L181-F238 HydrophobicContact CB-CD1 3.86Å; L181-F238 HydrophobicContact CB-CD2 4.05Å; L181-F238 HydrophobicContact CB-CE1 4.31Å; L181-F238 HydrophobicContact CB-CE2 4.45Å; L181-F238 HydrophobicContact CB-CG 3.73Å; L181-F238 HydrophobicContact CD1-CB 4.25Å; L181-F238 HydrophobicContact CD1-CD2 4.16Å; L181-F238 HydrophobicContact CD1-CG 4.29Å; N182-F238 HydrophobicContact CB-CE1 4.24Å; N182-F238 WeakPolarHBondContact OD1-CE1 3.31Å; N182-F238 VanDerWaalsContact OD1-CZ 3.28Å; N182-F238 WeakPolarHBondContact OD1-CZ 3.06Å; K185-F238 WeakPolarHBondContact CE-O 3.38Å; K185-F238 HydrophobicContact CG-CD1 3.94Å; K185-F238 PolarHBondContact NZ-O 2.8Å; I233-F238 HydrophobicContact CG2-CE2 3.57Å; I233-F238 HydrophobicContact CG2-CZ 4.03Å; V235-F238 WeakPolarHBondContact O-CB 3.48Å; V235-F238 PolarHBondContact O-N 3.31Å; V235-F238 VanDerWaalsContact O-N 3.16Å; S236-F238 PolarHBondContact O-N 2.86Å
239	F	95.9	Very high	87.3	Confident	21 Å²	21	47.6 Å²	47.6	9%	0.092	26%	0.259	C	S	.	.			trans	-84.5	135.7	-176.2	-58.1	-20.5	0	0	0	110.9	I111 L181 V219 T224 L225 V235 S236	I111-F239 HydrophobicContact CB-CD1 4.32Å; I111-F239 HydrophobicContact CG2-CD1 3.53Å; I111-F239 HydrophobicContact CG2-CE1 3.91Å; L181-F239 HydrophobicContact CD1-CE1 4.49Å; V219-F239 HydrophobicContact CB-CE1 4.1Å; V219-F239 HydrophobicContact CB-CZ 4.29Å; V219-F239 HydrophobicContact CG1-CE1 4.46Å; V219-F239 HydrophobicContact CG1-CZ 4.4Å; V219-F239 HydrophobicContact CG2-CE1 4.21Å; T224-F239 HydrophobicContact CG2-CZ 4.24Å; T224-F239 WeakPolarHBondContact O-CE2 3.29Å; L225-F239 HydrophobicContact CD2-CD2 4.19Å; L225-F239 HydrophobicContact CD2-CE2 4.27Å; V235-F239 HydrophobicContact CG1-CE1 3.97Å; V235-F239 HydrophobicContact CG1-CE2 4.11Å; V235-F239 HydrophobicContact CG1-CZ 3.45Å; V235-F239 VanDerWaalsContact CG1-CZ 3.45Å; S236-F239 PolarHBondContact O-N 3.21Å
240	D	97.1	Very high	88.9	Confident	43 Å²	43	50.4 Å²	50.4	23%	0.23	25%	0.253	C	S	.	.	S	Bend	trans	-93.1	-17.1	172.5	-47.1	-74.5	0	0	0	111.4	F90 F110 I111 K185	F90-D240 HydrophobicContact CD2-CB 4.34Å; F90-D240 WeakPolarHBondContact CD2-OD1 3.48Å; F90-D240 WeakPolarHBondContact CE2-OD1 3.44Å; F110-D240 WeakPolarHBondContact CA-OD2 3.41Å; F110-D240 HydrophobicContact CD1-CB 4.5Å; F110-D240 HydrophobicContact CD2-CB 3.55Å; F110-D240 HydrophobicContact CE1-CB 4.26Å; F110-D240 HydrophobicContact CE2-CB 3.26Å; F110-D240 HydrophobicContact CG-CB 4.18Å; F110-D240 HydrophobicContact CZ-CB 3.64Å; I111-D240 PolarHBondContact N-OD2 2.98Å; I111-D240 PolarHBondContact O-N 3.46Å; K185-D240 IonicContact NZ-OD1 3.61Å; K185-D240 PolarHBondContact NZ-OD1 3.23Å; K185-D240 IonicContact NZ-OD2 3.42Å; K185-D240 PolarHBondContact NZ-OD2 2.76Å
241	L	97.6	Very high	90.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	140.9	169.7	-176.7	71.7	0	0	0	110	I83 Y86 F110 I111 I112 G113 D314 I315	I83-L241 HydrophobicContact CB-CD2 4.48Å; I83-L241 HydrophobicContact CD1-CD2 4.5Å; I83-L241 HydrophobicContact CG1-CD2 3.57Å; Y86-L241 HydrophobicContact CD1-CD1 3.87Å; Y86-L241 HydrophobicContact CD2-CD1 3.92Å; Y86-L241 HydrophobicContact CE1-CD1 3.77Å; Y86-L241 HydrophobicContact CE2-CD1 3.81Å; Y86-L241 HydrophobicContact CG-CD1 3.96Å; F110-L241 HydrophobicContact CE1-CB 3.99Å; F110-L241 HydrophobicContact CZ-CB 3.93Å; I111-L241 PolarHBondContact O-N 3.31Å; I112-L241 CarbonylContact C-O 3.51Å; I112-L241 VanDerWaalsContact CA-O 3.29Å; I112-L241 WeakPolarHBondContact CA-O 3.47Å; G113-L241 PolarHBondContact N-O 2.68Å; L241-D314 HydrophobicContact CD1-CB 3.66Å; L241-I315 HydrophobicContact CD1-CD1 4.02Å; L241-I315 HydrophobicContact CD1-CG1 4.33Å; L241-I315 HydrophobicContact CD2-CD1 4.15Å; L241-I315 HydrophobicContact CG-CD1 4.47Å
242	S	97.6	Very high	92.1	Very high	7 Å²	7	42.3 Å²	42.3	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.1	176.8	57.1	0	0	0	0	112.7	G113 A313 D314 I315	G113-S242 CarbonylContact O-C 3.59Å; G113-S242 WeakPolarHBondContact O-CA 3.47Å; S242-A313 VanDerWaalsContact OG-CA 3.28Å; S242-A313 WeakPolarHBondContact OG-CA 3.45Å; S242-D314 PolarHBondContact N-OD2 3Å; S242-D314 PolarHBondContact O-N 3.38Å; S242-D314 PolarHBondContact OG-N 3.3Å; S242-D314 PolarHBondContact OG-OD2 3.15Å; S242-I315 PolarHBondContact O-N 3.17Å
243	I	98.2	Very high	93.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	-179.4	-54.9	176.1	0	0	0	108.6	L79 I112 G113 I114 A115 L129 I315 L317	L79-I243 HydrophobicContact CD1-CD1 4.46Å; L79-I243 HydrophobicContact CD2-CD1 4.31Å; I112-I243 HydrophobicContact CG2-CD1 4.06Å; I112-I243 HydrophobicContact CG2-CG1 4.39Å; G113-I243 PolarHBondContact O-N 2.84Å; I114-I243 CarbonylContact C-O 3.56Å; I114-I243 WeakPolarHBondContact CA-O 3.43Å; I114-I243 HydrophobicContact CG1-CB 4.37Å; A115-I243 PolarHBondContact N-O 3.45Å; L129-I243 HydrophobicContact CD1-CD1 3.72Å; I243-I315 CarbonylContact C-O 3.59Å; I243-I315 VanDerWaalsContact CA-O 3.28Å; I243-I315 WeakPolarHBondContact CA-O 3.42Å; I243-I315 HydrophobicContact CG1-CB 4.3Å; I243-L317 HydrophobicContact CG2-CD1 3.85Å; I243-L317 HydrophobicContact CG2-CG 3.93Å
244	Y	97.5	Very high	94.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.3	171.2	-172.3	-76.5	0	0	0	110.1	A115 L225 D246 I306 R310 I315 I316 L317	A115-Y244 HydrophobicContact CB-CD2 3.81Å; A115-Y244 HydrophobicContact CB-CE2 4.46Å; L225-Y244 HydrophobicContact CD1-CD2 4.37Å; Y244-D246 HydrophobicContact CD1-CB 3.81Å; Y244-D246 HydrophobicContact CE1-CB 3.81Å; Y244-I306 HydrophobicContact CE2-CG2 3.94Å; Y244-R310 HydrophobicContact CD1-CB 4.25Å; Y244-R310 HydrophobicContact CD1-CG 3.7Å; Y244-R310 HydrophobicContact CD2-CB 4.12Å; Y244-R310 HydrophobicContact CD2-CG 4.33Å; Y244-R310 HydrophobicContact CE1-CB 4.11Å; Y244-R310 HydrophobicContact CE1-CG 3.85Å; Y244-R310 HydrophobicContact CE2-CB 3.98Å; Y244-R310 HydrophobicContact CE2-CG 4.48Å; Y244-R310 HydrophobicContact CG-CB 4.26Å; Y244-R310 HydrophobicContact CG-CG 3.95Å; Y244-I315 PolarHBondContact N-O 3Å; Y244-I316 HydrophobicContact CD1-CG2 4.24Å; Y244-I316 CarbonylContact O-C 3.56Å; Y244-I316 VanDerWaalsContact O-CA 3.32Å; Y244-I316 WeakPolarHBondContact O-CA 3.3Å; Y244-L317 PolarHBondContact O-N 2.94Å
245	V	97.4	Very high	95.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	107.8	173.3	-171.8	0	0	0	0	108.3	I114 A115 V120 K122 T125 K319	I114-V245 HydrophobicContact CG2-CG2 4.27Å; A115-V245 PolarHBondContact O-N 2.93Å; V120-V245 HydrophobicContact CG1-CB 3.88Å; V120-V245 HydrophobicContact CG1-CG1 3.92Å; V120-V245 HydrophobicContact CG2-CG1 4.02Å; K122-V245 HydrophobicContact CG-CB 4.46Å; K122-V245 HydrophobicContact CG-CG2 4.49Å; T125-V245 HydrophobicContact CG2-CG2 4.22Å; V245-K319 HydrophobicContact CG1-CD 3.65Å; V245-K319 HydrophobicContact CG1-CG 4.28Å
246	D	97.2	Very high	95.4	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	151.9	-174.6	-163.6	25.5	0	0	0	111.8	Y244 R310 I316 L317 H318 K319	Y244-D246 HydrophobicContact CD1-CB 3.81Å; Y244-D246 HydrophobicContact CE1-CB 3.81Å; D246-R310 IonicContact OD1-NH1 3.24Å; D246-R310 WeakPolarHBondContact OD2-CD 3.49Å; D246-R310 IonicContact OD2-CZ 2.89Å; D246-R310 IonicContact OD2-NE 2.74Å; D246-R310 IonicContact OD2-NH1 2.78Å; D246-R310 PolarHBondContact OD2-NH1 3.02Å; D246-I316 HydrophobicContact CB-CG2 3.55Å; D246-L317 PolarHBondContact N-O 3.36Å; D246-H318 IonicContact OD2-CD2 3.44Å; D246-K319 PolarHBondContact O-N 3.33Å
247	A	96.3	Very high	95.8	Very high	9 Å²	9	36.1 Å²	36.1	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	159.9	169.3	0	0	0	0	0	109.6	V120 V252 W255 K319	V120-A247 HydrophobicContact CG2-CB 3.87Å; A247-V252 HydrophobicContact CB-CG2 3.69Å; A247-W255 HydrophobicContact CB-CH2 3.76Å; A247-W255 HydrophobicContact CB-CZ3 3.51Å; A247-K319 HydrophobicContact CB-CB 4.23Å
248	D	95.7	Very high	95.9	Very high	73 Å²	73	34.8 Å²	34.8	39%	0.39	16%	0.164	S	C	.	.			trans	-56.8	128	170	-173.8	-55.4	0	0	0	110	K250 M251 V252	D248-K250 PolarHBondContact O-N 2.71Å; D248-K250 WeakPolarHBondContact OD1-CB 3.46Å; D248-K250 PolarHBondContact OD1-N 2.94Å; D248-M251 HydrophobicContact CB-CB 4.49Å; D248-M251 HydrophobicContact CB-CE 3.59Å; D248-M251 HydrophobicContact CB-CG 4.26Å; D248-M251 WeakPolarHBondContact O-CA 3.45Å; D248-M251 WeakPolarHBondContact O-CB 3.47Å; D248-M251 PolarHBondContact O-N 3.47Å; D248-V252 PolarHBondContact O-N 2.92Å; D248-V252 VanDerWaalsContact O-N 3.1Å
249	P	95.4	Very high	95.9	Very high	42 Å²	42	36.8 Å²	36.8	27%	0.273	17%	0.172	S	C	.	.	H	α-helix	trans	-51	-32.4	-179.5	-30.2	35.8	0	0	0	114.5	M251 V252 E253 W294 L299 L302	P249-M251 VanDerWaalsContact C-N 3.33Å; P249-M251 PolarHBondContact O-N 3.22Å; P249-V252 PolarHBondContact O-N 3.47Å; P249-E253 WeakPolarHBondContact O-CB 3.35Å; P249-E253 PolarHBondContact O-N 3.4Å; P249-W294 WeakPolarHBondContact O-CZ2 3.43Å; P249-L299 HydrophobicContact CB-CD1 4.08Å; P249-L302 HydrophobicContact CB-CD2 4.16Å; P249-L302 HydrophobicContact CG-CD2 4.2Å
250	K	95.7	Very high	95.7	Very high	156 Å²	156	36.2 Å²	36.2	68%	0.678	17%	0.169	S	C	*	.	H	α-helix	trans	-69.6	-30.2	176.2	-63.4	-178.5	178.5	-178.9	0	113	D248 R254	D248-K250 PolarHBondContact O-N 2.71Å; D248-K250 WeakPolarHBondContact OD1-CB 3.46Å; D248-K250 PolarHBondContact OD1-N 2.94Å; K250-R254 PolarHBondContact O-N 2.71Å
251	M	95.2	Very high	95.5	Very high	36 Å²	36	36.9 Å²	36.9	18%	0.177	17%	0.171	C	C	.	.	H	α-helix	trans	-74.4	-39.6	173.3	-68.1	-164.5	-103.1	0	0	110.5	D248 P249 E253 R254 W255 K321	D248-M251 HydrophobicContact CB-CB 4.49Å; D248-M251 HydrophobicContact CB-CE 3.59Å; D248-M251 HydrophobicContact CB-CG 4.26Å; D248-M251 WeakPolarHBondContact O-CA 3.45Å; D248-M251 WeakPolarHBondContact O-CB 3.47Å; D248-M251 PolarHBondContact O-N 3.47Å; P249-M251 VanDerWaalsContact C-N 3.33Å; P249-M251 PolarHBondContact O-N 3.22Å; M251-E253 VanDerWaalsContact C-N 3.34Å; M251-R254 PolarHBondContact O-N 3.11Å; M251-W255 HydrophobicContact CB-CH2 4.18Å; M251-W255 HydrophobicContact CB-CZ2 4.04Å; M251-W255 PolarHBondContact O-N 2.86Å; M251-K321 HydrophobicContact SD-CG 4.05Å
252	V	95.4	Very high	95.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-41.4	175.4	-169.3	0	0	0	0	111.5	V118 V120 A247 D248 P249 R254 W255 Y256 W294	V118-V252 WeakPolarHBondContact O-CG1 3.22Å; V120-V252 HydrophobicContact CB-CG1 4.39Å; V120-V252 HydrophobicContact CB-CG2 4.45Å; V120-V252 HydrophobicContact CG2-CG2 4.05Å; A247-V252 HydrophobicContact CB-CG2 3.69Å; D248-V252 PolarHBondContact O-N 2.92Å; D248-V252 VanDerWaalsContact O-N 3.1Å; P249-V252 PolarHBondContact O-N 3.47Å; V252-R254 PolarHBondContact O-N 2.48Å; V252-W255 HydrophobicContact CG2-CE3 4.33Å; V252-W255 HydrophobicContact CG2-CZ3 4.31Å; V252-W255 PolarHBondContact O-N 3.35Å; V252-Y256 WeakPolarHBondContact O-CB 3.29Å; V252-Y256 PolarHBondContact O-N 3.41Å; V252-W294 HydrophobicContact CB-CH2 3.67Å; V252-W294 HydrophobicContact CB-CZ2 4.22Å; V252-W294 HydrophobicContact CG1-CH2 3.39Å; V252-W294 HydrophobicContact CG1-CZ2 4.39Å; V252-W294 HydrophobicContact CG1-CZ3 3.85Å
253	E	96.5	Very high	94.8	Very high	72 Å²	72	39.5 Å²	39.5	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-52.7	-53.5	172	178.6	168	-159.9	0	0	111.3	P249 M251 W255 Y256 I257 W294	P249-E253 WeakPolarHBondContact O-CB 3.35Å; P249-E253 PolarHBondContact O-N 3.4Å; M251-E253 VanDerWaalsContact C-N 3.34Å; E253-W255 VanDerWaalsContact C-N 3.32Å; E253-W255 PolarHBondContact O-N 3.03Å; E253-Y256 WeakPolarHBondContact O-CB 3.41Å; E253-Y256 PolarHBondContact O-N 2.94Å; E253-Y256 VanDerWaalsContact O-N 3.17Å; E253-I257 WeakPolarHBondContact O-CG1 3.23Å; E253-I257 PolarHBondContact O-N 3.3Å; E253-W294 VanDerWaalsContact CA-CE2 3.46Å; E253-W294 HydrophobicContact CB-CD2 4.17Å; E253-W294 VanDerWaalsContact CB-CE2 3.46Å; E253-W294 HydrophobicContact CB-CG 4.41Å; E253-W294 HydrophobicContact CB-CZ2 3.8Å; E253-W294 VanDerWaalsContact CG-CD1 3.4Å; E253-W294 HydrophobicContact CG-CD2 4.32Å; E253-W294 HydrophobicContact CG-CG 4.05Å; E253-W294 VanDerWaalsContact CG-NE1 3.31Å
254	R	94.9	Very high	94.5	Very high	105 Å²	105	39.9 Å²	39.9	40%	0.396	19%	0.188	S	C	.	.	H	α-helix	trans	-58.4	-45	178.8	-175.4	-177.1	61.5	-141.3	-13.5	111.5	K250 M251 V252 Y256 I257 E258	K250-R254 PolarHBondContact O-N 2.71Å; M251-R254 PolarHBondContact O-N 3.11Å; V252-R254 PolarHBondContact O-N 2.48Å; R254-Y256 VanDerWaalsContact C-N 3.31Å; R254-Y256 PolarHBondContact O-N 3.39Å; R254-I257 PolarHBondContact O-N 3.08Å; R254-E258 WeakPolarHBondContact CD-OE1 3.27Å; R254-E258 HydrophobicContact CG-CG 4.28Å; R254-E258 VanDerWaalsContact CG-OE1 3.29Å; R254-E258 WeakPolarHBondContact CG-OE1 3.42Å; R254-E258 IonicContact NE-OE1 2.7Å; R254-E258 WeakPolarHBondContact O-CB 3.41Å; R254-E258 VanDerWaalsContact O-CG 3.29Å; R254-E258 WeakPolarHBondContact O-CG 3.42Å; R254-E258 PolarHBondContact O-N 3.35Å
255	W	94.8	Very high	94.2	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-34.2	179.2	-60.2	-31.2	0	0	0	113	V120 A247 M251 V252 E253 R259 K319 A320 H323	V120-W255 HydrophobicContact CG2-CZ3 4.24Å; A247-W255 HydrophobicContact CB-CH2 3.76Å; A247-W255 HydrophobicContact CB-CZ3 3.51Å; M251-W255 HydrophobicContact CB-CH2 4.18Å; M251-W255 HydrophobicContact CB-CZ2 4.04Å; M251-W255 PolarHBondContact O-N 2.86Å; V252-W255 HydrophobicContact CG2-CE3 4.33Å; V252-W255 HydrophobicContact CG2-CZ3 4.31Å; V252-W255 PolarHBondContact O-N 3.35Å; E253-W255 VanDerWaalsContact C-N 3.32Å; E253-W255 PolarHBondContact O-N 3.03Å; W255-R259 VanDerWaalsContact O-CB 3.27Å; W255-R259 WeakPolarHBondContact O-CB 3.42Å; W255-R259 PolarHBondContact O-N 3.33Å; W255-K319 HydrophobicContact CH2-CB 3.78Å; W255-K319 HydrophobicContact CZ3-CB 4.31Å; W255-A320 VanDerWaalsContact CZ2-O 3.3Å; W255-A320 WeakPolarHBondContact CZ2-O 3.5Å; W255-H323 AromaticContact CD1-CE1 3.32Å; W255-H323 AromaticContact CD1-NE2 3.36Å; W255-H323 AromaticContact CD2-CE1 3.25Å; W255-H323 AromaticContact CD2-ND1 3.52Å; W255-H323 AromaticContact CE2-CE1 3.42Å; W255-H323 VanDerWaalsContact CE2-CE1 3.42Å; W255-H323 AromaticContact CE2-ND1 3.44Å; W255-H323 AromaticContact CE2-NE2 3.87Å; W255-H323 AromaticContact CE3-CE1 3.85Å; W255-H323 AromaticContact CE3-ND1 3.8Å; W255-H323 AromaticContact CG-CE1 3.23Å; W255-H323 AromaticContact CG-NE2 3.76Å; W255-H323 AromaticContact CZ2-ND1 3.73Å; W255-H323 AromaticContact NE1-CD2 3.89Å; W255-H323 AromaticContact NE1-CE1 3.41Å; W255-H323 PolarHBondContact NE1-CE1 3.39Å; W255-H323 AromaticContact NE1-ND1 3.8Å; W255-H323 AromaticContact NE1-NE2 3.41Å; W255-H323 PolarHBondContact NE1-NE2 3.45Å
256	Y	94.6	Very high	93.7	Very high	35 Å²	35	46.3 Å²	46.3	14%	0.137	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-48.8	173.3	172.2	-94.9	0	0	0	110.9	V118 A119 V252 E253 R254 R259 F260 A290 W294 N298	V118-Y256 HydrophobicContact CG1-CD2 4.19Å; V118-Y256 HydrophobicContact CG1-CE2 4.44Å; A119-Y256 HydrophobicContact CB-CD2 4.24Å; V252-Y256 WeakPolarHBondContact O-CB 3.29Å; V252-Y256 PolarHBondContact O-N 3.41Å; E253-Y256 WeakPolarHBondContact O-CB 3.41Å; E253-Y256 PolarHBondContact O-N 2.94Å; E253-Y256 VanDerWaalsContact O-N 3.17Å; R254-Y256 VanDerWaalsContact C-N 3.31Å; R254-Y256 PolarHBondContact O-N 3.39Å; Y256-R259 PolarHBondContact O-N 3.45Å; Y256-F260 WeakPolarHBondContact O-CB 3.29Å; Y256-F260 PolarHBondContact O-N 3.22Å; Y256-A290 HydrophobicContact CE1-CB 4.18Å; Y256-A290 WeakPolarHBondContact CE1-O 3.46Å; Y256-W294 HydrophobicContact CD1-CB 3.81Å; Y256-W294 HydrophobicContact CD1-CD2 4.38Å; Y256-W294 AromaticContact CD1-CE3 3.94Å; Y256-W294 HydrophobicContact CD1-CE3 3.94Å; Y256-W294 HydrophobicContact CD1-CG 4.34Å; Y256-W294 HydrophobicContact CD2-CE3 4.2Å; Y256-W294 HydrophobicContact CE1-CB 3.86Å; Y256-W294 HydrophobicContact CG-CD2 4.49Å; Y256-W294 AromaticContact CG-CE3 3.67Å; Y256-W294 HydrophobicContact CG-CE3 3.67Å; Y256-W294 HydrophobicContact CG-CZ3 4.32Å; Y256-N298 WeakPolarHBondContact CE2-ND2 3.46Å
257	I	95	Very high	93.3	Very high	22 Å²	22	45.9 Å²	45.9	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-46.4	177.9	-59.9	-59.9	0	0	0	111.1	E253 R254 R259 F260 E261 L287 A290 E291	E253-I257 WeakPolarHBondContact O-CG1 3.23Å; E253-I257 PolarHBondContact O-N 3.3Å; R254-I257 PolarHBondContact O-N 3.08Å; I257-R259 VanDerWaalsContact C-N 3.34Å; I257-R259 PolarHBondContact O-N 3.25Å; I257-F260 WeakPolarHBondContact O-CB 3.3Å; I257-F260 PolarHBondContact O-N 3.12Å; I257-F260 VanDerWaalsContact O-N 3.12Å; I257-E261 PolarHBondContact O-N 2.76Å; I257-L287 HydrophobicContact CG2-CD2 3.93Å; I257-A290 HydrophobicContact CD1-CB 3.88Å; I257-E291 HydrophobicContact CD1-CB 4.45Å; I257-E291 HydrophobicContact CD1-CG 3.75Å; I257-E291 HydrophobicContact CG1-CG 4.39Å
258	E	93.3	Very high	92.9	Very high	69 Å²	69	50.4 Å²	50.4	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-56.6	-47.2	176	-74.5	168.7	179.7	0	0	110.8	N64 R254 F260 E261 S262	N64-E258 PolarHBondContact ND2-O 2.76Å; R254-E258 WeakPolarHBondContact CD-OE1 3.27Å; R254-E258 HydrophobicContact CG-CG 4.28Å; R254-E258 VanDerWaalsContact CG-OE1 3.29Å; R254-E258 WeakPolarHBondContact CG-OE1 3.42Å; R254-E258 IonicContact NE-OE1 2.7Å; R254-E258 WeakPolarHBondContact O-CB 3.41Å; R254-E258 VanDerWaalsContact O-CG 3.29Å; R254-E258 WeakPolarHBondContact O-CG 3.42Å; R254-E258 PolarHBondContact O-N 3.35Å; E258-F260 PolarHBondContact O-N 3.01Å; E258-E261 PolarHBondContact O-N 3.38Å; E258-S262 PolarHBondContact O-N 2.73Å; E258-S262 VanDerWaalsContact O-N 3.11Å; E258-S262 PolarHBondContact O-OG 3.34Å
259	R	92.1	Very high	92.6	Very high	62 Å²	62	54.2 Å²	54.2	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-44.1	175.5	176.2	179.7	-89.7	-168.2	-1.8	111.8	S62 L63 N64 D65 W255 Y256 I257 E261 S262 L263	S62-R259 PolarHBondContact OG-NH2 2.65Å; L63-R259 PolarHBondContact O-NE 3.42Å; N64-R259 WeakPolarHBondContact ND2-CA 3.38Å; N64-R259 PolarHBondContact ND2-N 3.28Å; D65-R259 IonicContact OD2-NH2 3.62Å; W255-R259 VanDerWaalsContact O-CB 3.27Å; W255-R259 WeakPolarHBondContact O-CB 3.42Å; W255-R259 PolarHBondContact O-N 3.33Å; Y256-R259 PolarHBondContact O-N 3.45Å; I257-R259 VanDerWaalsContact C-N 3.34Å; I257-R259 PolarHBondContact O-N 3.25Å; R259-E261 VanDerWaalsContact C-N 3.35Å; R259-S262 PolarHBondContact O-N 3.46Å; R259-L263 HydrophobicContact CG-CD1 4.29Å; R259-L263 WeakPolarHBondContact O-CG 3.35Å; R259-L263 PolarHBondContact O-N 3.32Å
260	F	92.9	Very high	92.3	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-45.8	178.1	-176.3	-99.3	0	0	0	111.2	Y256 I257 E258 S262 L263 L264 Y275 A286 L287 M289 A290	Y256-F260 WeakPolarHBondContact O-CB 3.29Å; Y256-F260 PolarHBondContact O-N 3.22Å; I257-F260 WeakPolarHBondContact O-CB 3.3Å; I257-F260 PolarHBondContact O-N 3.12Å; I257-F260 VanDerWaalsContact O-N 3.12Å; E258-F260 PolarHBondContact O-N 3.01Å; F260-S262 VanDerWaalsContact C-N 3.34Å; F260-S262 PolarHBondContact O-N 2.88Å; F260-L263 WeakPolarHBondContact O-CB 3.38Å; F260-L263 PolarHBondContact O-N 2.92Å; F260-L264 HydrophobicContact CD1-CD1 4.13Å; F260-L264 HydrophobicContact CD1-CG 4.33Å; F260-L264 HydrophobicContact CE1-CD1 3.63Å; F260-L264 HydrophobicContact CE1-CD2 4.23Å; F260-L264 HydrophobicContact CE1-CG 4.03Å; F260-L264 HydrophobicContact CZ-CD1 4.26Å; F260-L264 HydrophobicContact CZ-CD2 4.06Å; F260-L264 HydrophobicContact CZ-CG 4.36Å; F260-L264 WeakPolarHBondContact O-CG 3.34Å; F260-L264 PolarHBondContact O-N 2.76Å; F260-L264 VanDerWaalsContact O-N 3.1Å; F260-Y275 HydrophobicContact CD2-CD1 4.47Å; F260-Y275 HydrophobicContact CD2-CE1 4.22Å; F260-Y275 AromaticContact CE2-CD1 3.91Å; F260-Y275 HydrophobicContact CE2-CD1 3.91Å; F260-Y275 AromaticContact CE2-CE1 3.92Å; F260-Y275 HydrophobicContact CE2-CE1 3.92Å; F260-A286 HydrophobicContact CE1-CB 4.13Å; F260-A286 WeakPolarHBondContact CE1-O 3.41Å; F260-A286 HydrophobicContact CZ-CB 4.49Å; F260-L287 HydrophobicContact CD1-CD2 4.2Å; F260-M289 HydrophobicContact CE2-CE 4.02Å; F260-M289 HydrophobicContact CZ-CE 3.66Å; F260-A290 HydrophobicContact CB-CB 4.37Å; F260-A290 HydrophobicContact CD1-CB 3.5Å; F260-A290 HydrophobicContact CD2-CB 4.19Å; F260-A290 HydrophobicContact CE1-CB 3.7Å; F260-A290 HydrophobicContact CE2-CB 4.37Å; F260-A290 HydrophobicContact CG-CB 3.76Å; F260-A290 HydrophobicContact CZ-CB 4.14Å
261	E	93	Very high	92	Very high	57 Å²	57	52.3 Å²	52.3	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-56.1	-46.4	174.8	-74.7	-165	77.2	0	0	112.9	I257 E258 R259 L263 L264 D265 R283 L287	I257-E261 PolarHBondContact O-N 2.76Å; E258-E261 PolarHBondContact O-N 3.38Å; R259-E261 VanDerWaalsContact C-N 3.35Å; E261-L263 VanDerWaalsContact C-N 3.3Å; E261-L263 PolarHBondContact O-N 3.33Å; E261-L264 WeakPolarHBondContact O-CB 3.38Å; E261-L264 PolarHBondContact O-N 3.46Å; E261-L264 VanDerWaalsContact O-N 3.15Å; E261-D265 PolarHBondContact O-N 2.93Å; E261-R283 IonicContact OE1-CZ 3.26Å; E261-R283 IonicContact OE1-NE 3.42Å; E261-R283 IonicContact OE1-NH2 2.73Å; E261-R283 PolarHBondContact OE1-NH2 3.38Å; E261-L287 HydrophobicContact CG-CD1 4.35Å; E261-L287 HydrophobicContact CG-CD2 3.29Å; E261-L287 HydrophobicContact CG-CG 4.33Å
262	S	90.6	Very high	91.6	Very high	27 Å²	27	57.5 Å²	57.5	19%	0.189	28%	0.282	C	S	.	.	H	α-helix	trans	-69.7	-26.5	-180	-63.8	0	0	0	0	113.8	N64 E258 R259 F260	N64-S262 VanDerWaalsContact ND2-CB 3.27Å; N64-S262 WeakPolarHBondContact ND2-CB 3.33Å; N64-S262 PolarHBondContact ND2-OG 3.18Å; N64-S262 PolarHBondContact OD1-OG 3.29Å; N64-S262 VanDerWaalsContact OD1-OG 3.11Å; E258-S262 PolarHBondContact O-N 2.73Å; E258-S262 VanDerWaalsContact O-N 3.11Å; E258-S262 PolarHBondContact O-OG 3.34Å; R259-S262 PolarHBondContact O-N 3.46Å; F260-S262 VanDerWaalsContact C-N 3.34Å; F260-S262 PolarHBondContact O-N 2.88Å
263	L	89.9	Confident	91	Very high	36 Å²	36	59 Å²	59	19%	0.188	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-48.7	168.3	-72.9	165.4	0	0	0	110	L63 R259 F260 E261 D265 T266 A267 Y275	L63-L263 HydrophobicContact CD1-CD2 3.8Å; R259-L263 HydrophobicContact CG-CD1 4.29Å; R259-L263 WeakPolarHBondContact O-CG 3.35Å; R259-L263 PolarHBondContact O-N 3.32Å; F260-L263 WeakPolarHBondContact O-CB 3.38Å; F260-L263 PolarHBondContact O-N 2.92Å; E261-L263 VanDerWaalsContact C-N 3.3Å; E261-L263 PolarHBondContact O-N 3.33Å; L263-D265 VanDerWaalsContact C-N 3.27Å; L263-D265 PolarHBondContact O-N 3.48Å; L263-T266 PolarHBondContact O-N 2.83Å; L263-T266 PolarHBondContact O-OG1 3.45Å; L263-T266 VanDerWaalsContact O-OG1 3.04Å; L263-A267 WeakPolarHBondContact O-CB 3.45Å; L263-A267 PolarHBondContact O-N 3.08Å; L263-Y275 HydrophobicContact CB-CD2 4.47Å; L263-Y275 HydrophobicContact CD1-CD2 4.44Å; L263-Y275 HydrophobicContact CD1-CE1 4.46Å; L263-Y275 HydrophobicContact CD1-CE2 3.95Å; L263-Y275 HydrophobicContact CD2-CE2 4.47Å
264	L	91.9	Very high	90.4	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-37.2	177.7	-58.7	-171.8	0	0	0	112.8	F260 E261 T266 A279 A286	F260-L264 HydrophobicContact CD1-CD1 4.13Å; F260-L264 HydrophobicContact CD1-CG 4.33Å; F260-L264 HydrophobicContact CE1-CD1 3.63Å; F260-L264 HydrophobicContact CE1-CD2 4.23Å; F260-L264 HydrophobicContact CE1-CG 4.03Å; F260-L264 HydrophobicContact CZ-CD1 4.26Å; F260-L264 HydrophobicContact CZ-CD2 4.06Å; F260-L264 HydrophobicContact CZ-CG 4.36Å; F260-L264 WeakPolarHBondContact O-CG 3.34Å; F260-L264 PolarHBondContact O-N 2.76Å; F260-L264 VanDerWaalsContact O-N 3.1Å; E261-L264 WeakPolarHBondContact O-CB 3.38Å; E261-L264 PolarHBondContact O-N 3.46Å; E261-L264 VanDerWaalsContact O-N 3.15Å; L264-T266 PolarHBondContact O-N 2.88Å; L264-A279 HydrophobicContact CB-CB 4.34Å; L264-A279 HydrophobicContact CD2-CB 4.23Å; L264-A279 WeakPolarHBondContact O-CB 3.33Å; L264-A286 HydrophobicContact CD1-CB 3.8Å
265	D	90.5	Very high	90.1	Very high	71 Å²	71	57.6 Å²	57.6	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-11	177.6	-68.6	-28.9	0	0	0	113.8	E261 L263 F268 R283	E261-D265 PolarHBondContact O-N 2.93Å; L263-D265 VanDerWaalsContact C-N 3.27Å; L263-D265 PolarHBondContact O-N 3.48Å; D265-F268 WeakPolarHBondContact O-CE1 2.91Å; D265-R283 IonicContact OD1-CZ 3.21Å; D265-R283 IonicContact OD1-NH1 2.65Å; D265-R283 PolarHBondContact OD1-NH1 3.39Å; D265-R283 IonicContact OD1-NH2 2.76Å; D265-R283 PolarHBondContact OD1-NH2 3.4Å; D265-R283 IonicContact OD2-NH2 2.77Å
266	T	87.5	Confident	89.9	Confident	66 Å²	66	60.2 Å²	60.2	41%	0.405	29%	0.293	S	S	.	.	H	α-helix	trans	-121.7	-31.9	178	57.8	0	0	0	0	113.8	L263 L264 F268 K269	L263-T266 PolarHBondContact O-N 2.83Å; L263-T266 PolarHBondContact O-OG1 3.45Å; L263-T266 VanDerWaalsContact O-OG1 3.04Å; L264-T266 PolarHBondContact O-N 2.88Å; T266-F268 PolarHBondContact O-N 3.31Å; T266-K269 WeakPolarHBondContact O-CB 3.42Å; T266-K269 PolarHBondContact O-N 2.88Å; T266-K269 VanDerWaalsContact O-N 3.15Å
267	A	87.6	Confident	89.6	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-27.9	-173.3	0	0	0	0	0	113.5	L263 K269 D270 N273 A279	L263-A267 WeakPolarHBondContact O-CB 3.45Å; L263-A267 PolarHBondContact O-N 3.08Å; A267-K269 PolarHBondContact O-N 2.78Å; A267-D270 PolarHBondContact O-N 3.43Å; A267-N273 HydrophobicContact CB-CB 4.46Å; A267-A279 HydrophobicContact CB-CB 3.97Å
268	F	88.3	Confident	89.4	Confident	104 Å²	104	67 Å²	67	46%	0.456	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.3	177.1	76.4	-96.9	0	0	0	114.2	D265 T266 A279 I280	D265-F268 WeakPolarHBondContact O-CE1 2.91Å; T266-F268 PolarHBondContact O-N 3.31Å; F268-A279 HydrophobicContact CB-CB 3.99Å; F268-I280 HydrophobicContact CB-CG2 4.37Å
269	K	89.5	Confident	89.3	Confident	152 Å²	152	64.9 Å²	64.9	66%	0.661	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.2	-179.5	-62	176.5	-175.6	170	0	113.3	T266 A267	T266-K269 WeakPolarHBondContact O-CB 3.42Å; T266-K269 PolarHBondContact O-N 2.88Å; T266-K269 VanDerWaalsContact O-N 3.15Å; A267-K269 PolarHBondContact O-N 2.78Å
270	D	88.4	Confident	89.4	Confident	74 Å²	74	66.6 Å²	66.6	40%	0.396	33%	0.334	S	S	.	.			trans	-133.1	101.7	-173.4	-177.5	7.4	0	0	0	110.4	A267 D272 N273 Y276	A267-D270 PolarHBondContact O-N 3.43Å; D270-D272 PolarHBondContact O-N 3.47Å; D270-D272 VanDerWaalsContact O-N 3.17Å; D270-D272 PolarHBondContact OD1-N 3.47Å; D270-D272 VanDerWaalsContact OD1-N 3.12Å; D270-N273 HydrophobicContact CB-CB 4.09Å; D270-N273 VanDerWaalsContact O-CB 3.22Å; D270-N273 WeakPolarHBondContact O-CB 3.49Å; D270-N273 PolarHBondContact O-N 2.86Å; D270-Y276 VanDerWaalsContact O-CD2 3.29Å; D270-Y276 WeakPolarHBondContact O-CD2 3.37Å
271	P	89.3	Confident	89.3	Confident	84 Å²	84	68.4 Å²	68.4	55%	0.545	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.4	177.8	-25.3	35.8	0	0	0	115.2	N273 Y276	P271-N273 VanDerWaalsContact C-N 3.33Å; P271-Y276 VanDerWaalsContact CA-CD2 3.46Å; P271-Y276 HydrophobicContact CB-CD2 4.43Å; P271-Y276 HydrophobicContact CB-CE1 4.44Å; P271-Y276 HydrophobicContact CB-CE2 4.18Å; P271-Y276 HydrophobicContact CG-CE2 4.05Å
272	D	86.9	Confident	89.4	Confident	145 Å²	145	69.7 Å²	69.7	78%	0.775	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.2	179.9	-61.9	-37.8	0	0	0	112	D270	D270-D272 PolarHBondContact O-N 3.47Å; D270-D272 VanDerWaalsContact O-N 3.17Å; D270-D272 PolarHBondContact OD1-N 3.47Å; D270-D272 VanDerWaalsContact OD1-N 3.12Å
273	N	84.1	Confident	89.5	Confident	34 Å²	34	73.4 Å²	73.4	18%	0.182	37%	0.373	C	S	.	.	S	Bend	trans	-73.7	134.2	179.2	-168.6	-76.2	0	0	0	111.6	A267 D270 P271 Y275 Y276	A267-N273 HydrophobicContact CB-CB 4.46Å; D270-N273 HydrophobicContact CB-CB 4.09Å; D270-N273 VanDerWaalsContact O-CB 3.22Å; D270-N273 WeakPolarHBondContact O-CB 3.49Å; D270-N273 PolarHBondContact O-N 2.86Å; P271-N273 VanDerWaalsContact C-N 3.33Å; N273-Y275 PolarHBondContact O-N 2.89Å; N273-Y275 WeakPolarHBondContact OD1-CB 3.44Å; N273-Y275 WeakPolarHBondContact OD1-CD2 3.26Å; N273-Y275 PolarHBondContact OD1-N 3.45Å; N273-Y276 WeakPolarHBondContact O-CB 3.37Å; N273-Y276 PolarHBondContact O-N 3.08Å
274	Y	84.1	Confident	89.7	Confident	100 Å²	100	79.5 Å²	79.5	39%	0.392	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-33.1	176.7	179.4	-95.6	0	0	0	114.3	D199 Y201	D199-Y274 WeakPolarHBondContact O-CB 3.38Å; D199-Y274 PolarHBondContact O-N 3.4Å; Y201-Y274 HydrophobicContact CD1-CE2 4.19Å; Y201-Y274 HydrophobicContact CG-CD2 4.46Å; Y201-Y274 HydrophobicContact CG-CE1 4.48Å; Y201-Y274 HydrophobicContact CG-CE2 4.4Å
275	Y	87.4	Confident	89.9	Confident	47 Å²	47	85.7 Å²	85.7	18%	0.184	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2.2	-179.3	-59.5	-78.8	0	0	0	114.2	F260 L263 N273 D277 Y278 A279	F260-Y275 HydrophobicContact CD2-CD1 4.47Å; F260-Y275 HydrophobicContact CD2-CE1 4.22Å; F260-Y275 AromaticContact CE2-CD1 3.91Å; F260-Y275 HydrophobicContact CE2-CD1 3.91Å; F260-Y275 AromaticContact CE2-CE1 3.92Å; F260-Y275 HydrophobicContact CE2-CE1 3.92Å; L263-Y275 HydrophobicContact CB-CD2 4.47Å; L263-Y275 HydrophobicContact CD1-CD2 4.44Å; L263-Y275 HydrophobicContact CD1-CE1 4.46Å; L263-Y275 HydrophobicContact CD1-CE2 3.95Å; L263-Y275 HydrophobicContact CD2-CE2 4.47Å; N273-Y275 PolarHBondContact O-N 2.89Å; N273-Y275 WeakPolarHBondContact OD1-CB 3.44Å; N273-Y275 WeakPolarHBondContact OD1-CD2 3.26Å; N273-Y275 PolarHBondContact OD1-N 3.45Å; Y275-D277 PolarHBondContact O-N 2.92Å; Y275-Y278 HydrophobicContact CD1-CD2 4.48Å; Y275-Y278 PolarHBondContact O-N 3.3Å; Y275-A279 WeakPolarHBondContact O-CB 3.23Å; Y275-A279 PolarHBondContact O-N 3.12Å
276	Y	90.2	Very high	90.1	Very high	61 Å²	61	82.5 Å²	82.5	24%	0.239	41%	0.411	C	S	.	.	H	α-helix	trans	-55.9	-51	-174.2	179.2	-101	0	0	0	112.6	D270 P271 N273 Y278 A279 I280	D270-Y276 VanDerWaalsContact O-CD2 3.29Å; D270-Y276 WeakPolarHBondContact O-CD2 3.37Å; P271-Y276 VanDerWaalsContact CA-CD2 3.46Å; P271-Y276 HydrophobicContact CB-CD2 4.43Å; P271-Y276 HydrophobicContact CB-CE1 4.44Å; P271-Y276 HydrophobicContact CB-CE2 4.18Å; P271-Y276 HydrophobicContact CG-CE2 4.05Å; N273-Y276 WeakPolarHBondContact O-CB 3.37Å; N273-Y276 PolarHBondContact O-N 3.08Å; Y276-Y278 VanDerWaalsContact C-N 3.27Å; Y276-Y278 PolarHBondContact O-N 3.37Å; Y276-A279 WeakPolarHBondContact O-CA 3.47Å; Y276-A279 WeakPolarHBondContact O-CB 3.29Å; Y276-A279 PolarHBondContact O-N 2.91Å; Y276-I280 HydrophobicContact CD1-CD1 4.18Å; Y276-I280 HydrophobicContact CD1-CG1 4.5Å; Y276-I280 HydrophobicContact CD2-CG2 4.33Å; Y276-I280 HydrophobicContact CE1-CD1 3.6Å; Y276-I280 HydrophobicContact CE1-CG1 4.27Å; Y276-I280 HydrophobicContact CE1-CG2 4.18Å; Y276-I280 HydrophobicContact CE2-CG2 3.86Å; Y276-I280 PolarHBondContact O-N 3.48Å
277	D	89.7	Confident	90.4	Very high	119 Å²	119	81 Å²	81	64%	0.636	40%	0.399	S	S	*	.	H	α-helix	trans	-59.8	-38.1	-178.1	-73.9	-20.6	0	0	0	112.3	Y275 A279 G281	Y275-D277 PolarHBondContact O-N 2.92Å; D277-A279 VanDerWaalsContact C-N 3.34Å; D277-G281 PolarHBondContact O-N 3.12Å
278	Y	90.2	Very high	90.8	Very high	81 Å²	81	83.4 Å²	83.4	32%	0.318	42%	0.42	S	S	.	.	H	α-helix	trans	-70.1	-32.2	175.3	-58.7	-73.7	0	0	0	112.3	Y275 Y276 A286 M289	Y275-Y278 HydrophobicContact CD1-CD2 4.48Å; Y275-Y278 PolarHBondContact O-N 3.3Å; Y276-Y278 VanDerWaalsContact C-N 3.27Å; Y276-Y278 PolarHBondContact O-N 3.37Å; Y278-A286 HydrophobicContact CD1-CB 4.48Å; Y278-M289 HydrophobicContact CD1-CE 3.72Å; Y278-M289 HydrophobicContact CE1-CE 3.38Å; Y278-M289 HydrophobicContact CE1-CG 4.49Å; Y278-M289 HydrophobicContact CE2-CE 4.31Å; Y278-M289 HydrophobicContact CG-CE 4.32Å
279	A	91.7	Very high	91.1	Very high	25 Å²	25	81.1 Å²	81.1	21%	0.207	41%	0.411	C	S	.	.	H	α-helix	trans	-76.8	-30.8	-178.1	0	0	0	0	0	113.1	L264 A267 F268 Y275 Y276 D277	L264-A279 HydrophobicContact CB-CB 4.34Å; L264-A279 HydrophobicContact CD2-CB 4.23Å; L264-A279 WeakPolarHBondContact O-CB 3.33Å; A267-A279 HydrophobicContact CB-CB 3.97Å; F268-A279 HydrophobicContact CB-CB 3.99Å; Y275-A279 WeakPolarHBondContact O-CB 3.23Å; Y275-A279 PolarHBondContact O-N 3.12Å; Y276-A279 WeakPolarHBondContact O-CA 3.47Å; Y276-A279 WeakPolarHBondContact O-CB 3.29Å; Y276-A279 PolarHBondContact O-N 2.91Å; D277-A279 VanDerWaalsContact C-N 3.34Å
280	I	93.2	Very high	91.3	Very high	98 Å²	98	73.9 Å²	73.9	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-90	-12.9	175.7	65.9	163.5	0	0	0	113.7	F268 Y276	F268-I280 HydrophobicContact CB-CG2 4.37Å; Y276-I280 HydrophobicContact CD1-CD1 4.18Å; Y276-I280 HydrophobicContact CD1-CG1 4.5Å; Y276-I280 HydrophobicContact CD2-CG2 4.33Å; Y276-I280 HydrophobicContact CE1-CD1 3.6Å; Y276-I280 HydrophobicContact CE1-CG1 4.27Å; Y276-I280 HydrophobicContact CE1-CG2 4.18Å; Y276-I280 HydrophobicContact CE2-CG2 3.86Å; Y276-I280 PolarHBondContact O-N 3.48Å
281	G	92	Very high	91.7	Very high	45 Å²	45	75.4 Å²	75.4	46%	0.464	38%	0.384	S	S	.	.	S	Bend	trans	-82.8	-164.3	179	0	0	0	0	0	114.6	D277 R283	D277-G281 PolarHBondContact O-N 3.12Å; G281-R283 PolarHBondContact O-N 3.41Å
282	D	94.1	Very high	92	Very high	85 Å²	85	75.7 Å²	75.7	46%	0.455	38%	0.381	S	S	.	.			trans	-74	113.9	172.7	-176.9	-1.7	0	0	0	110.2	K284 E285 A286	D282-K284 PolarHBondContact O-N 2.9Å; D282-K284 VanDerWaalsContact O-N 3.14Å; D282-K284 WeakPolarHBondContact OD1-CB 3.42Å; D282-K284 PolarHBondContact OD1-N 2.78Å; D282-E285 HydrophobicContact CB-CB 4.14Å; D282-E285 HydrophobicContact CB-CG 3.94Å; D282-E285 PolarHBondContact O-N 3.11Å; D282-A286 PolarHBondContact O-N 3.45Å
283	R	93.2	Very high	92.3	Very high	105 Å²	105	70.9 Å²	70.9	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-54.7	-33	177.7	-170.5	171	-179.2	141.6	2.4	112.5	E261 D265 G281 L287	E261-R283 IonicContact OE1-CZ 3.26Å; E261-R283 IonicContact OE1-NE 3.42Å; E261-R283 IonicContact OE1-NH2 2.73Å; E261-R283 PolarHBondContact OE1-NH2 3.38Å; D265-R283 IonicContact OD1-CZ 3.21Å; D265-R283 IonicContact OD1-NH1 2.65Å; D265-R283 PolarHBondContact OD1-NH1 3.39Å; D265-R283 IonicContact OD1-NH2 2.76Å; D265-R283 PolarHBondContact OD1-NH2 3.4Å; D265-R283 IonicContact OD2-NH2 2.77Å; G281-R283 PolarHBondContact O-N 3.41Å; R283-L287 HydrophobicContact CG-CD1 4.28Å; R283-L287 WeakPolarHBondContact O-CB 3.46Å; R283-L287 VanDerWaalsContact O-CG 3.3Å; R283-L287 WeakPolarHBondContact O-CG 3.24Å; R283-L287 PolarHBondContact O-N 3.34Å
284	K	94.5	Very high	92.8	Very high	164 Å²	164	69.3 Å²	69.3	71%	0.713	35%	0.349	S	S	*	.	H	α-helix	trans	-69.2	-40.5	178.1	-172.5	-176.7	176	-172.1	0	111.8	D282 A288	D282-K284 PolarHBondContact O-N 2.9Å; D282-K284 VanDerWaalsContact O-N 3.14Å; D282-K284 WeakPolarHBondContact OD1-CB 3.42Å; D282-K284 PolarHBondContact OD1-N 2.78Å; K284-A288 WeakPolarHBondContact O-CB 3.26Å; K284-A288 PolarHBondContact O-N 3.14Å
285	E	95	Very high	93.4	Very high	138 Å²	138	71 Å²	71	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-67.7	-41.8	176	-66.4	-177.3	165	0	0	110.9	D282 L287 A288 M289	D282-E285 HydrophobicContact CB-CB 4.14Å; D282-E285 HydrophobicContact CB-CG 3.94Å; D282-E285 PolarHBondContact O-N 3.11Å; E285-L287 VanDerWaalsContact C-N 3.34Å; E285-L287 PolarHBondContact O-N 2.78Å; E285-A288 PolarHBondContact O-N 3.2Å; E285-M289 WeakPolarHBondContact O-CB 3.32Å; E285-M289 PolarHBondContact O-N 3.23Å
286	A	94.7	Very high	93.7	Very high	4 Å²	4	72.6 Å²	72.6	3%	0.033	37%	0.37	C	S	.	.	H	α-helix	trans	-59.8	-43.2	175.3	0	0	0	0	0	112	F260 L264 Y278 D282 M289 A290	F260-A286 HydrophobicContact CE1-CB 4.13Å; F260-A286 WeakPolarHBondContact CE1-O 3.41Å; F260-A286 HydrophobicContact CZ-CB 4.49Å; L264-A286 HydrophobicContact CD1-CB 3.8Å; Y278-A286 HydrophobicContact CD1-CB 4.48Å; D282-A286 PolarHBondContact O-N 3.45Å; A286-M289 PolarHBondContact O-N 3.11Å; A286-A290 PolarHBondContact O-N 2.97Å
287	L	95.2	Very high	93.8	Very high	33 Å²	33	71 Å²	71	17%	0.173	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-41.4	176.7	-73.2	171.5	0	0	0	112.8	I257 F260 E261 R283 E285 M289 A290 E291	I257-L287 HydrophobicContact CG2-CD2 3.93Å; F260-L287 HydrophobicContact CD1-CD2 4.2Å; E261-L287 HydrophobicContact CG-CD1 4.35Å; E261-L287 HydrophobicContact CG-CD2 3.29Å; E261-L287 HydrophobicContact CG-CG 4.33Å; R283-L287 HydrophobicContact CG-CD1 4.28Å; R283-L287 WeakPolarHBondContact O-CB 3.46Å; R283-L287 VanDerWaalsContact O-CG 3.3Å; R283-L287 WeakPolarHBondContact O-CG 3.24Å; R283-L287 PolarHBondContact O-N 3.34Å; E285-L287 VanDerWaalsContact C-N 3.34Å; E285-L287 PolarHBondContact O-N 2.78Å; L287-M289 VanDerWaalsContact C-N 3.28Å; L287-M289 PolarHBondContact O-N 3.21Å; L287-A290 PolarHBondContact O-N 3.06Å; L287-E291 WeakPolarHBondContact O-CG 3.4Å; L287-E291 PolarHBondContact O-N 3.27Å
288	A	95.9	Very high	94	Very high	53 Å²	53	66.3 Å²	66.3	44%	0.438	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-37.1	175.4	0	0	0	0	0	111.9	K284 E285 D292	K284-A288 WeakPolarHBondContact O-CB 3.26Å; K284-A288 PolarHBondContact O-N 3.14Å; E285-A288 PolarHBondContact O-N 3.2Å; A288-D292 PolarHBondContact O-N 3.04Å; A288-D292 VanDerWaalsContact O-N 3.08Å
289	M	93.9	Very high	94.2	Very high	56 Å²	56	64.1 Å²	64.1	28%	0.276	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-47.1	172.4	-179	-74.6	-72	0	0	111.1	F260 Y278 E285 A286 L287 E291 D292 V293	F260-M289 HydrophobicContact CE2-CE 4.02Å; F260-M289 HydrophobicContact CZ-CE 3.66Å; Y278-M289 HydrophobicContact CD1-CE 3.72Å; Y278-M289 HydrophobicContact CE1-CE 3.38Å; Y278-M289 HydrophobicContact CE1-CG 4.49Å; Y278-M289 HydrophobicContact CE2-CE 4.31Å; Y278-M289 HydrophobicContact CG-CE 4.32Å; E285-M289 WeakPolarHBondContact O-CB 3.32Å; E285-M289 PolarHBondContact O-N 3.23Å; A286-M289 PolarHBondContact O-N 3.11Å; L287-M289 VanDerWaalsContact C-N 3.28Å; L287-M289 PolarHBondContact O-N 3.21Å; M289-E291 VanDerWaalsContact C-N 3.34Å; M289-E291 PolarHBondContact O-N 3.47Å; M289-D292 WeakPolarHBondContact O-CB 3.15Å; M289-D292 PolarHBondContact O-N 3.49Å; M289-D292 VanDerWaalsContact O-N 3.12Å; M289-V293 WeakPolarHBondContact O-CG2 3.37Å; M289-V293 PolarHBondContact O-N 3.01Å; M289-V293 HydrophobicContact SD-CG2 3.52Å; M289-V293 VanDerWaalsContact SD-CG2 3.52Å
290	A	94.5	Very high	94.3	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-41.6	178.1	0	0	0	0	0	112.3	Y256 I257 F260 A286 L287 D292 V293 W294	Y256-A290 HydrophobicContact CE1-CB 4.18Å; Y256-A290 WeakPolarHBondContact CE1-O 3.46Å; I257-A290 HydrophobicContact CD1-CB 3.88Å; F260-A290 HydrophobicContact CB-CB 4.37Å; F260-A290 HydrophobicContact CD1-CB 3.5Å; F260-A290 HydrophobicContact CD2-CB 4.19Å; F260-A290 HydrophobicContact CE1-CB 3.7Å; F260-A290 HydrophobicContact CE2-CB 4.37Å; F260-A290 HydrophobicContact CG-CB 3.76Å; F260-A290 HydrophobicContact CZ-CB 4.14Å; A286-A290 PolarHBondContact O-N 2.97Å; L287-A290 PolarHBondContact O-N 3.06Å; A290-D292 VanDerWaalsContact C-N 3.32Å; A290-D292 PolarHBondContact O-N 3.48Å; A290-V293 PolarHBondContact O-N 2.8Å; A290-W294 WeakPolarHBondContact O-CB 3.21Å; A290-W294 PolarHBondContact O-N 3.08Å
291	E	96.3	Very high	94.3	Very high	106 Å²	106	62.5 Å²	62.5	50%	0.495	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-41.2	173.3	-72.2	178.5	177.5	0	0	112.1	I257 L287 M289 W294 K295	I257-E291 HydrophobicContact CD1-CB 4.45Å; I257-E291 HydrophobicContact CD1-CG 3.75Å; I257-E291 HydrophobicContact CG1-CG 4.39Å; L287-E291 WeakPolarHBondContact O-CG 3.4Å; L287-E291 PolarHBondContact O-N 3.27Å; M289-E291 VanDerWaalsContact C-N 3.34Å; M289-E291 PolarHBondContact O-N 3.47Å; E291-W294 PolarHBondContact O-N 3.1Å; E291-K295 WeakPolarHBondContact O-CB 3.48Å; E291-K295 PolarHBondContact O-N 3.13Å
292	D	95.1	Very high	94.4	Very high	91 Å²	91	60.6 Å²	60.6	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-66.4	-45.4	177.3	-167.5	77.7	0	0	0	112.1	A288 M289 A290 W294 K295 N296	A288-D292 PolarHBondContact O-N 3.04Å; A288-D292 VanDerWaalsContact O-N 3.08Å; M289-D292 WeakPolarHBondContact O-CB 3.15Å; M289-D292 PolarHBondContact O-N 3.49Å; M289-D292 VanDerWaalsContact O-N 3.12Å; A290-D292 VanDerWaalsContact C-N 3.32Å; A290-D292 PolarHBondContact O-N 3.48Å; D292-W294 VanDerWaalsContact C-N 3.35Å; D292-W294 PolarHBondContact O-N 3.25Å; D292-K295 PolarHBondContact O-N 3.32Å; D292-N296 WeakPolarHBondContact O-CB 3.35Å; D292-N296 PolarHBondContact O-N 3.34Å; D292-N296 PolarHBondContact O-ND2 3.33Å; D292-N296 PolarHBondContact OD1-ND2 3.44Å; D292-N296 PolarHBondContact OD2-ND2 2.77Å
293	V	93.3	Very high	94.4	Very high	44 Å²	44	61.2 Å²	61.2	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-44.7	174.7	171.5	0	0	0	0	110.8	M289 A290 K295 V297 N298	M289-V293 WeakPolarHBondContact O-CG2 3.37Å; M289-V293 PolarHBondContact O-N 3.01Å; M289-V293 HydrophobicContact SD-CG2 3.52Å; M289-V293 VanDerWaalsContact SD-CG2 3.52Å; A290-V293 PolarHBondContact O-N 2.8Å; V293-K295 PolarHBondContact O-N 2.82Å; V293-V297 HydrophobicContact CG1-CB 4.38Å; V293-V297 HydrophobicContact CG1-CG2 4.43Å; V293-V297 WeakPolarHBondContact O-CA 3.45Å; V293-V297 WeakPolarHBondContact O-CB 3.44Å; V293-V297 PolarHBondContact O-N 2.7Å; V293-N298 PolarHBondContact O-N 3.18Å
294	W	95.3	Very high	94.3	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	30%	0.301	C	S	.	.	I	π-helix	trans	-55.6	-53.3	174.5	172	-100.1	0	0	0	110.9	P249 V252 E253 Y256 A290 E291 D292 N298 L299	P249-W294 WeakPolarHBondContact O-CZ2 3.43Å; V252-W294 HydrophobicContact CB-CH2 3.67Å; V252-W294 HydrophobicContact CB-CZ2 4.22Å; V252-W294 HydrophobicContact CG1-CH2 3.39Å; V252-W294 HydrophobicContact CG1-CZ2 4.39Å; V252-W294 HydrophobicContact CG1-CZ3 3.85Å; E253-W294 VanDerWaalsContact CA-CE2 3.46Å; E253-W294 HydrophobicContact CB-CD2 4.17Å; E253-W294 VanDerWaalsContact CB-CE2 3.46Å; E253-W294 HydrophobicContact CB-CG 4.41Å; E253-W294 HydrophobicContact CB-CZ2 3.8Å; E253-W294 VanDerWaalsContact CG-CD1 3.4Å; E253-W294 HydrophobicContact CG-CD2 4.32Å; E253-W294 HydrophobicContact CG-CG 4.05Å; E253-W294 VanDerWaalsContact CG-NE1 3.31Å; Y256-W294 HydrophobicContact CD1-CB 3.81Å; Y256-W294 HydrophobicContact CD1-CD2 4.38Å; Y256-W294 AromaticContact CD1-CE3 3.94Å; Y256-W294 HydrophobicContact CD1-CE3 3.94Å; Y256-W294 HydrophobicContact CD1-CG 4.34Å; Y256-W294 HydrophobicContact CD2-CE3 4.2Å; Y256-W294 HydrophobicContact CE1-CB 3.86Å; Y256-W294 HydrophobicContact CG-CD2 4.49Å; Y256-W294 AromaticContact CG-CE3 3.67Å; Y256-W294 HydrophobicContact CG-CE3 3.67Å; Y256-W294 HydrophobicContact CG-CZ3 4.32Å; A290-W294 WeakPolarHBondContact O-CB 3.21Å; A290-W294 PolarHBondContact O-N 3.08Å; E291-W294 PolarHBondContact O-N 3.1Å; D292-W294 VanDerWaalsContact C-N 3.35Å; D292-W294 PolarHBondContact O-N 3.25Å; W294-N298 HydrophobicContact CD2-CB 4.29Å; W294-N298 HydrophobicContact CE3-CB 3.61Å; W294-N298 HydrophobicContact CZ3-CB 3.92Å; W294-N298 PolarHBondContact O-N 3.01Å; W294-L299 HydrophobicContact CZ2-CB 4.43Å; W294-L299 HydrophobicContact CZ2-CD1 4.34Å; W294-L299 VanDerWaalsContact O-CB 3.25Å; W294-L299 WeakPolarHBondContact O-CB 3.41Å; W294-L299 PolarHBondContact O-N 2.87Å
295	K	95.4	Very high	94.1	Very high	136 Å²	136	56.6 Å²	56.6	59%	0.591	28%	0.281	S	S	*	.	I	π-helix	trans	-66.2	-44.3	-174	-177.4	-179.1	175.7	-174.1	0	113.2	E291 D292 V293	E291-K295 WeakPolarHBondContact O-CB 3.48Å; E291-K295 PolarHBondContact O-N 3.13Å; D292-K295 PolarHBondContact O-N 3.32Å; V293-K295 PolarHBondContact O-N 2.82Å
296	N	93.7	Very high	94	Very high	80 Å²	80	50 Å²	50	43%	0.428	25%	0.251	S	S	.	.	I	π-helix	trans	-92.4	-22.7	-170	-63	-37.9	0	0	0	113.3	D292	D292-N296 WeakPolarHBondContact O-CB 3.35Å; D292-N296 PolarHBondContact O-N 3.34Å; D292-N296 PolarHBondContact O-ND2 3.33Å; D292-N296 PolarHBondContact OD1-ND2 3.44Å; D292-N296 PolarHBondContact OD2-ND2 2.77Å
297	V	92.6	Very high	93.9	Very high	28 Å²	28	51.4 Å²	51.4	17%	0.17	26%	0.258	C	S	.	.	I	π-helix	trans	-113.2	-67.9	-177.5	-173	0	0	0	0	110.3	F168 V293 K300 N301	F168-V297 HydrophobicContact CE2-CG1 3.83Å; F168-V297 WeakPolarHBondContact CZ-O 3.22Å; V293-V297 HydrophobicContact CG1-CB 4.38Å; V293-V297 HydrophobicContact CG1-CG2 4.43Å; V293-V297 WeakPolarHBondContact O-CA 3.45Å; V293-V297 WeakPolarHBondContact O-CB 3.44Å; V293-V297 PolarHBondContact O-N 2.7Å; V297-K300 PolarHBondContact O-N 2.84Å; V297-N301 WeakPolarHBondContact O-CB 3.41Å; V297-N301 PolarHBondContact O-N 3.39Å
298	N	93.2	Very high	93.7	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.102	27%	0.271	C	S	.	.	I	π-helix	trans	-69.8	-45.7	-168.1	-65.8	-46.7	0	0	0	113.4	Y256 V293 W294 N301 L302	Y256-N298 WeakPolarHBondContact CE2-ND2 3.46Å; V293-N298 PolarHBondContact O-N 3.18Å; W294-N298 HydrophobicContact CD2-CB 4.29Å; W294-N298 HydrophobicContact CE3-CB 3.61Å; W294-N298 HydrophobicContact CZ3-CB 3.92Å; W294-N298 PolarHBondContact O-N 3.01Å; N298-N301 PolarHBondContact O-N 3.1Å; N298-L302 WeakPolarHBondContact O-CB 3.48Å; N298-L302 PolarHBondContact O-N 3.18Å
299	L	95.2	Very high	93.5	Very high	36 Å²	36	51 Å²	51	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-42.5	178.5	178.3	61.6	0	0	0	110.6	P249 W294 L302 E303	P249-L299 HydrophobicContact CB-CD1 4.08Å; W294-L299 HydrophobicContact CZ2-CB 4.43Å; W294-L299 HydrophobicContact CZ2-CD1 4.34Å; W294-L299 VanDerWaalsContact O-CB 3.25Å; W294-L299 WeakPolarHBondContact O-CB 3.41Å; W294-L299 PolarHBondContact O-N 2.87Å; L299-L302 WeakPolarHBondContact O-CB 3.27Å; L299-L302 PolarHBondContact O-N 3.43Å; L299-E303 HydrophobicContact CD1-CG 4.15Å; L299-E303 WeakPolarHBondContact O-CG 3.4Å; L299-E303 PolarHBondContact O-N 3.27Å
300	K	94.3	Very high	93.5	Very high	86 Å²	86	49.4 Å²	49.4	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-46.9	175.7	-172.8	-178	176.5	-170.3	0	111.2	F168 V297 L302 E303 E304	F168-K300 HydrophobicContact CZ-CB 4.39Å; F168-K300 HydrophobicContact CZ-CD 4.43Å; F168-K300 HydrophobicContact CZ-CG 4.44Å; V297-K300 PolarHBondContact O-N 2.84Å; K300-L302 VanDerWaalsContact C-N 3.32Å; K300-L302 PolarHBondContact O-N 3.24Å; K300-E303 PolarHBondContact O-N 3.49Å; K300-E304 VanDerWaalsContact CE-CD 3.5Å; K300-E304 WeakPolarHBondContact CE-OE1 3.27Å; K300-E304 WeakPolarHBondContact CE-OE2 3.42Å; K300-E304 HydrophobicContact CG-CG 4.32Å; K300-E304 WeakPolarHBondContact CG-OE1 3.31Å; K300-E304 VanDerWaalsContact O-CB 3.31Å; K300-E304 WeakPolarHBondContact O-CB 3.42Å; K300-E304 WeakPolarHBondContact O-CG 3.36Å; K300-E304 PolarHBondContact O-N 2.7Å
301	N	92.7	Very high	93.3	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-41.5	175.9	-166.4	17.6	0	0	0	111.9	G167 F168 V297 N298 Y305 I306	G167-N301 VanDerWaalsContact C-ND2 3.35Å; G167-N301 PolarHBondContact O-ND2 3.13Å; F168-N301 HydrophobicContact CD1-CB 4.26Å; F168-N301 HydrophobicContact CD2-CB 4.36Å; F168-N301 HydrophobicContact CE1-CB 3.85Å; F168-N301 HydrophobicContact CE2-CB 3.96Å; F168-N301 HydrophobicContact CZ-CB 3.69Å; V297-N301 WeakPolarHBondContact O-CB 3.41Å; V297-N301 PolarHBondContact O-N 3.39Å; N298-N301 PolarHBondContact O-N 3.1Å; N301-Y305 PolarHBondContact O-N 3.18Å; N301-I306 PolarHBondContact O-N 3Å
302	L	94.2	Very high	93	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	25%	0.247	C	C	.	.	I	π-helix	trans	-58.3	-53.4	174.8	174.5	59.4	0	0	0	111.6	P249 N298 L299 K300 I306 L307	P249-L302 HydrophobicContact CB-CD2 4.16Å; P249-L302 HydrophobicContact CG-CD2 4.2Å; N298-L302 WeakPolarHBondContact O-CB 3.48Å; N298-L302 PolarHBondContact O-N 3.18Å; L299-L302 WeakPolarHBondContact O-CB 3.27Å; L299-L302 PolarHBondContact O-N 3.43Å; K300-L302 VanDerWaalsContact C-N 3.32Å; K300-L302 PolarHBondContact O-N 3.24Å; L302-I306 HydrophobicContact CD1-CB 3.97Å; L302-I306 HydrophobicContact CD1-CG2 4.17Å; L302-I306 PolarHBondContact O-N 2.88Å; L302-L307 HydrophobicContact CD1-CB 4Å; L302-L307 HydrophobicContact CG-CB 4.43Å; L302-L307 WeakPolarHBondContact O-CB 3.33Å; L302-L307 PolarHBondContact O-N 2.91Å
303	E	93.5	Very high	93	Very high	98 Å²	98	45.2 Å²	45.2	46%	0.458	22%	0.224	S	C	.	.	I	π-helix	trans	-67.5	-37.9	-176.4	-70.2	-176.5	151.2	0	0	112.8	L299 K300 P308	L299-E303 HydrophobicContact CD1-CG 4.15Å; L299-E303 WeakPolarHBondContact O-CG 3.4Å; L299-E303 PolarHBondContact O-N 3.27Å; K300-E303 PolarHBondContact O-N 3.49Å; E303-P308 WeakPolarHBondContact O-CG 3.47Å
304	E	91.1	Very high	93.2	Very high	96 Å²	96	44.8 Å²	44.8	45%	0.449	22%	0.22	S	C	.	.	I	π-helix	trans	-87.1	-34.4	-173.4	-67.2	179.7	-177.9	0	0	113.4	K300	K300-E304 VanDerWaalsContact CE-CD 3.5Å; K300-E304 WeakPolarHBondContact CE-OE1 3.27Å; K300-E304 WeakPolarHBondContact CE-OE2 3.42Å; K300-E304 HydrophobicContact CG-CG 4.32Å; K300-E304 WeakPolarHBondContact CG-OE1 3.31Å; K300-E304 VanDerWaalsContact O-CB 3.31Å; K300-E304 WeakPolarHBondContact O-CB 3.42Å; K300-E304 WeakPolarHBondContact O-CG 3.36Å; K300-E304 PolarHBondContact O-N 2.7Å
305	Y	90.6	Very high	93.3	Very high	76 Å²	76	44.7 Å²	44.7	30%	0.298	22%	0.22	S	C	.	.	I	π-helix	trans	-128.3	-29.1	-167.6	-60.7	-81	0	0	0	115.6	F168 P169 N301 T309	F168-Y305 AromaticContact CD1-CD2 3.8Å; F168-Y305 HydrophobicContact CD1-CD2 3.8Å; F168-Y305 AromaticContact CD1-CE2 3.53Å; F168-Y305 HydrophobicContact CD1-CE2 3.53Å; F168-Y305 HydrophobicContact CE1-CD2 4.1Å; F168-Y305 AromaticContact CE1-CE2 3.85Å; F168-Y305 HydrophobicContact CE1-CE2 3.85Å; P169-Y305 HydrophobicContact CG-CD1 3.42Å; P169-Y305 VanDerWaalsContact CG-CD1 3.42Å; P169-Y305 HydrophobicContact CG-CE1 3.68Å; P169-Y305 HydrophobicContact CG-CG 3.91Å; N301-Y305 PolarHBondContact O-N 3.18Å; Y305-T309 VanDerWaalsContact O-CG2 3.29Å; Y305-T309 WeakPolarHBondContact O-CG2 3.45Å
306	I	92.5	Very high	93.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.194	C	C	.	.	I	π-helix	trans	-97.3	-53.8	-174.5	-51.1	171	0	0	0	111.4	I222 Y244 N301 L302 P308 T309	I222-I306 HydrophobicContact CB-CD1 3.78Å; I222-I306 HydrophobicContact CB-CG1 4.32Å; I222-I306 HydrophobicContact CG2-CD1 4.09Å; Y244-I306 HydrophobicContact CE2-CG2 3.94Å; N301-I306 PolarHBondContact O-N 3Å; L302-I306 HydrophobicContact CD1-CB 3.97Å; L302-I306 HydrophobicContact CD1-CG2 4.17Å; L302-I306 PolarHBondContact O-N 2.88Å; I306-P308 VanDerWaalsContact C-CD 3.48Å; I306-T309 PolarHBondContact O-N 3.41Å; I306-T309 PolarHBondContact O-OG1 3.39Å
307	L	92.9	Very high	93.6	Very high	33 Å²	33	34.8 Å²	34.8	17%	0.173	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-59.9	-39.8	-177.8	-176.3	62.9	0	0	0	112.9	L302 T309 R310	L302-L307 HydrophobicContact CD1-CB 4Å; L302-L307 HydrophobicContact CG-CB 4.43Å; L302-L307 WeakPolarHBondContact O-CB 3.33Å; L302-L307 PolarHBondContact O-N 2.91Å; L307-T309 PolarHBondContact O-N 2.93Å; L307-T309 VanDerWaalsContact O-N 3.09Å; L307-R310 VanDerWaalsContact O-CB 3.25Å; L307-R310 WeakPolarHBondContact O-CB 3.3Å; L307-R310 PolarHBondContact O-N 3.3Å
308	P	91.4	Very high	93.8	Very high	69 Å²	69	34.9 Å²	34.9	45%	0.448	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-61.3	-17.7	176.3	-25.4	36.9	0	0	0	114.4	E303 I306	E303-P308 WeakPolarHBondContact O-CG 3.47Å; I306-P308 VanDerWaalsContact C-CD 3.48Å
309	T	91.4	Very high	94	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.049	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-91.9	-4.2	179.1	76.1	0	0	0	0	112.4	L225 Q226 Y305 I306 L307 G311 R312	L225-T309 WeakPolarHBondContact CB-OG1 3.24Å; L225-T309 VanDerWaalsContact O-CB 3.31Å; L225-T309 WeakPolarHBondContact O-CB 3.5Å; L225-T309 WeakPolarHBondContact O-CG2 3.4Å; Q226-T309 HydrophobicContact CG-CG2 4.43Å; Y305-T309 VanDerWaalsContact O-CG2 3.29Å; Y305-T309 WeakPolarHBondContact O-CG2 3.45Å; I306-T309 PolarHBondContact O-N 3.41Å; I306-T309 PolarHBondContact O-OG1 3.39Å; L307-T309 PolarHBondContact O-N 2.93Å; L307-T309 VanDerWaalsContact O-N 3.09Å; T309-G311 VanDerWaalsContact C-N 3.27Å; T309-G311 PolarHBondContact O-N 3.41Å; T309-R312 WeakPolarHBondContact O-CA 3.45Å; T309-R312 WeakPolarHBondContact O-CB 3.34Å; T309-R312 PolarHBondContact O-N 3Å
310	R	93.4	Very high	93.9	Very high	22 Å²	22	33.5 Å²	33.5	8%	0.083	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-56.3	-42.1	-178.6	-177.4	-174.7	66.2	-173.6	-4.1	112.1	E29 Y33 Y244 D246 L307 R312 A313 I316	E29-R310 IonicContact OE2-CZ 3.66Å; E29-R310 IonicContact OE2-NE 2.99Å; E29-R310 PolarHBondContact OE2-NE 2.82Å; E29-R310 IonicContact OE2-NH2 2.74Å; E29-R310 PolarHBondContact OE2-NH2 3.24Å; Y33-R310 PolarHBondContact OH-O 2.75Å; Y244-R310 HydrophobicContact CD1-CB 4.25Å; Y244-R310 HydrophobicContact CD1-CG 3.7Å; Y244-R310 HydrophobicContact CD2-CB 4.12Å; Y244-R310 HydrophobicContact CD2-CG 4.33Å; Y244-R310 HydrophobicContact CE1-CB 4.11Å; Y244-R310 HydrophobicContact CE1-CG 3.85Å; Y244-R310 HydrophobicContact CE2-CB 3.98Å; Y244-R310 HydrophobicContact CE2-CG 4.48Å; Y244-R310 HydrophobicContact CG-CB 4.26Å; Y244-R310 HydrophobicContact CG-CG 3.95Å; D246-R310 IonicContact OD1-NH1 3.24Å; D246-R310 WeakPolarHBondContact OD2-CD 3.49Å; D246-R310 IonicContact OD2-CZ 2.89Å; D246-R310 IonicContact OD2-NE 2.74Å; D246-R310 IonicContact OD2-NH1 2.78Å; D246-R310 PolarHBondContact OD2-NH1 3.02Å; L307-R310 VanDerWaalsContact O-CB 3.25Å; L307-R310 WeakPolarHBondContact O-CB 3.3Å; L307-R310 PolarHBondContact O-N 3.3Å; R310-R312 PolarHBondContact O-N 3.41Å; R310-A313 PolarHBondContact O-N 3.17Å; R310-A313 VanDerWaalsContact O-N 3.09Å; R310-I316 HydrophobicContact CG-CD1 3.72Å; R310-I316 HydrophobicContact CG-CG1 4.13Å; R310-I316 HydrophobicContact CG-CG2 4.28Å
311	G	91.1	Very high	93.8	Very high	25 Å²	25	36 Å²	36	26%	0.258	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-66.1	-1.8	175.6	0	0	0	0	0	114.8	Y33 T309 R331	Y33-G311 PolarHBondContact OH-O 3.44Å; T309-G311 VanDerWaalsContact C-N 3.27Å; T309-G311 PolarHBondContact O-N 3.41Å; G311-R331 PolarHBondContact O-NH2 3.07Å
312	R	90.7	Very high	93.6	Very high	84 Å²	84	41.9 Å²	41.9	32%	0.317	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-95.1	-10.5	173.3	-60.5	-179.4	152.8	-130.8	-17.1	113.6	L227 T309 R310 R331	L227-R312 VanDerWaalsContact CG-CZ 3.41Å; T309-R312 WeakPolarHBondContact O-CA 3.45Å; T309-R312 WeakPolarHBondContact O-CB 3.34Å; T309-R312 PolarHBondContact O-N 3Å; R310-R312 PolarHBondContact O-N 3.41Å; R312-R331 PolarHBondContact O-NH2 2.97Å
313	A	95	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.			trans	-74.6	148.5	176	0	0	0	0	0	112.6	Y33 L225 S242 R310 I315 I316 R331	Y33-A313 WeakPolarHBondContact CE1-O 3.41Å; Y33-A313 PolarHBondContact OH-O 3.02Å; L225-A313 HydrophobicContact CD1-CB 3.88Å; S242-A313 VanDerWaalsContact OG-CA 3.28Å; S242-A313 WeakPolarHBondContact OG-CA 3.45Å; R310-A313 PolarHBondContact O-N 3.17Å; R310-A313 VanDerWaalsContact O-N 3.09Å; A313-I315 WeakPolarHBondContact CB-O 3.44Å; A313-I316 HydrophobicContact CB-CG1 4.22Å; A313-R331 PolarHBondContact O-NE 3.02Å; A313-R331 PolarHBondContact O-NH2 3.2Å
314	D	96.7	Very high	93.5	Very high	35 Å²	35	41.1 Å²	41.1	19%	0.187	20%	0.202	C	C	.	.	S	Bend	trans	-77.1	-33.3	170.7	-57.3	-58.8	0	0	0	110.8	L241 S242 R331	L241-D314 HydrophobicContact CD1-CB 3.66Å; S242-D314 PolarHBondContact N-OD2 3Å; S242-D314 PolarHBondContact O-N 3.38Å; S242-D314 PolarHBondContact OG-N 3.3Å; S242-D314 PolarHBondContact OG-OD2 3.15Å; D314-R331 WeakPolarHBondContact O-CB 3.47Å; D314-R331 PolarHBondContact O-N 3.18Å
315	I	97.8	Very high	93.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.1	179.9	-55.2	173.8	0	0	0	109.3	L79 L82 L241 S242 I243 Y244 A313 L317 I328 Y329 L330	L79-I315 HydrophobicContact CD1-CD1 3.57Å; L79-I315 HydrophobicContact CD1-CG2 4.34Å; L82-I315 HydrophobicContact CD2-CD1 3.64Å; L82-I315 HydrophobicContact CD2-CG1 4.37Å; L82-I315 HydrophobicContact CG-CD1 4.45Å; L241-I315 HydrophobicContact CD1-CD1 4.02Å; L241-I315 HydrophobicContact CD1-CG1 4.33Å; L241-I315 HydrophobicContact CD2-CD1 4.15Å; L241-I315 HydrophobicContact CG-CD1 4.47Å; S242-I315 PolarHBondContact O-N 3.17Å; I243-I315 CarbonylContact C-O 3.59Å; I243-I315 VanDerWaalsContact CA-O 3.28Å; I243-I315 WeakPolarHBondContact CA-O 3.42Å; I243-I315 HydrophobicContact CG1-CB 4.3Å; Y244-I315 PolarHBondContact N-O 3Å; A313-I315 WeakPolarHBondContact CB-O 3.44Å; I315-L317 HydrophobicContact CG2-CD2 4Å; I315-L317 HydrophobicContact CG2-CG 4.48Å; I315-I328 HydrophobicContact CG2-CG2 3.92Å; I315-Y329 CarbonylContact C-O 3.48Å; I315-Y329 VanDerWaalsContact CA-O 3.29Å; I315-Y329 WeakPolarHBondContact CA-O 3.48Å; I315-L330 HydrophobicContact CG1-CD1 3.96Å
316	I	97.7	Very high	94	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.7	170.2	-51.1	162.5	0	0	0	108.5	Y33 Y244 D246 R310 A313 I328 Y329	Y33-I316 HydrophobicContact CD1-CD1 4.32Å; Y33-I316 HydrophobicContact CE1-CD1 3.82Å; Y33-I316 HydrophobicContact CE1-CG1 4.08Å; Y33-I316 HydrophobicContact CE2-CD1 4.2Å; Y244-I316 HydrophobicContact CD1-CG2 4.24Å; Y244-I316 CarbonylContact O-C 3.56Å; Y244-I316 VanDerWaalsContact O-CA 3.32Å; Y244-I316 WeakPolarHBondContact O-CA 3.3Å; D246-I316 HydrophobicContact CB-CG2 3.55Å; R310-I316 HydrophobicContact CG-CD1 3.72Å; R310-I316 HydrophobicContact CG-CG1 4.13Å; R310-I316 HydrophobicContact CG-CG2 4.28Å; A313-I316 HydrophobicContact CB-CG1 4.22Å; I316-I328 WeakPolarHBondContact O-CA 3.48Å; I316-Y329 HydrophobicContact CB-CD2 4.33Å; I316-Y329 HydrophobicContact CB-CG 4.49Å; I316-Y329 PolarHBondContact N-O 2.89Å; I316-Y329 PolarHBondContact O-N 3.1Å
317	L	97.9	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	101.7	173.3	-57.1	180	0	0	0	108.2	L79 T125 I243 Y244 D246 I315 I325 I328	L79-L317 HydrophobicContact CD2-CD1 4.01Å; L79-L317 HydrophobicContact CD2-CD2 4.33Å; T125-L317 HydrophobicContact CG2-CD1 4.03Å; I243-L317 HydrophobicContact CG2-CD1 3.85Å; I243-L317 HydrophobicContact CG2-CG 3.93Å; Y244-L317 PolarHBondContact O-N 2.94Å; D246-L317 PolarHBondContact N-O 3.36Å; I315-L317 HydrophobicContact CG2-CD2 4Å; I315-L317 HydrophobicContact CG2-CG 4.48Å; L317-I325 HydrophobicContact CB-CD1 4.21Å; L317-I325 HydrophobicContact CB-CG2 4.49Å; L317-I325 HydrophobicContact CD1-CD1 4.28Å; L317-I328 HydrophobicContact CD2-CG1 3.98Å; L317-I328 HydrophobicContact CD2-CG2 4.14Å
318	H	97.2	Very high	94.4	Very high	30 Å²	30	35.4 Å²	35.4	14%	0.139	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.2	-178.8	179.5	-87.1	0	0	0	110.3	D246 I325 D326 E327 Y329	D246-H318 IonicContact OD2-CD2 3.44Å; H318-I325 VanDerWaalsContact O-CA 3.27Å; H318-I325 WeakPolarHBondContact O-CA 3.39Å; H318-D326 IonicContact CE1-OD1 3.05Å; H318-D326 IonicContact CG-OD1 2.6Å; H318-D326 IonicContact ND1-OD1 2.54Å; H318-D326 PolarHBondContact ND1-OD1 2.88Å; H318-D326 IonicContact ND1-OD2 3.15Å; H318-D326 PolarHBondContact O-N 3.02Å; H318-D326 VanDerWaalsContact O-N 3.12Å; H318-E327 HydrophobicContact CB-CB 4.26Å; H318-E327 WeakPolarHBondContact CB-O 3.45Å; H318-E327 PolarHBondContact N-O 3.26Å; H318-Y329 HydrophobicContact CB-CE2 4.09Å
319	K	96.1	Very high	94.7	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.8	176.2	-65	175.9	69.5	168.9	0	110.5	D65 V120 V245 D246 A247 W255 H323 I324 I325	D65-K319 IonicContact OD1-NZ 3.76Å; V120-K319 VanDerWaalsContact O-CD 3.29Å; V120-K319 WeakPolarHBondContact O-CD 3.45Å; V120-K319 WeakPolarHBondContact O-CE 3.46Å; V120-K319 PolarHBondContact O-NZ 2.97Å; V245-K319 HydrophobicContact CG1-CD 3.65Å; V245-K319 HydrophobicContact CG1-CG 4.28Å; D246-K319 PolarHBondContact O-N 3.33Å; A247-K319 HydrophobicContact CB-CB 4.23Å; W255-K319 HydrophobicContact CH2-CB 3.78Å; W255-K319 HydrophobicContact CZ3-CB 4.31Å; K319-H323 VanDerWaalsContact CE-CB 3.46Å; K319-H323 VanDerWaalsContact CE-O 3.29Å; K319-H323 WeakPolarHBondContact CE-O 3.48Å; K319-H323 PolarHBondContact NZ-ND1 3.01Å; K319-H323 VanDerWaalsContact NZ-ND1 3.18Å; K319-I324 CarbonylContact C-O 3.5Å; K319-I324 WeakPolarHBondContact CA-O 3.5Å; K319-I325 HydrophobicContact CG-CG1 3.82Å
320	A	94.6	Very high	95	Very high	19 Å²	19	33.4 Å²	33.4	16%	0.157	16%	0.164	C	C	.	.			trans	-105.7	-156.1	171.9	0	0	0	0	0	110.9	W255 H323 I324 D326	W255-A320 VanDerWaalsContact CZ2-O 3.3Å; W255-A320 WeakPolarHBondContact CZ2-O 3.5Å; A320-H323 PolarHBondContact O-N 3.02Å; A320-I324 PolarHBondContact N-O 3.04Å; A320-D326 HydrophobicContact CB-CB 4.2Å; A320-D326 WeakPolarHBondContact CB-OD2 3.41Å
321	K	91.8	Very high	95.1	Very high	140 Å²	140	35.7 Å²	35.7	61%	0.609	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-56	147.1	179.8	-63.7	-178.8	-179.1	179.1	0	111.2	M251 H323 I324	M251-K321 HydrophobicContact SD-CG 4.05Å; K321-H323 PolarHBondContact O-N 3.14Å; K321-I324 PolarHBondContact O-N 2.89Å
322	H	88.5	Confident	95.2	Very high	125 Å²	125	38.2 Å²	38.2	58%	0.579	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	57.5	31	-179.6	-50.2	-69.6	0	0	0	114	I324	H322-I324 HydrophobicContact CB-CD1 4.47Å; H322-I324 HydrophobicContact CB-CG1 4.38Å; H322-I324 PolarHBondContact O-N 3.03Å
323	H	90.8	Very high	94.9	Very high	13 Å²	13	45.4 Å²	45.4	6%	0.06	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	60.5	10.7	-178.9	-57.9	-84.2	0	0	0	115.6	W255 K319 A320 K321 I325	W255-H323 AromaticContact CD1-CE1 3.32Å; W255-H323 AromaticContact CD1-NE2 3.36Å; W255-H323 AromaticContact CD2-CE1 3.25Å; W255-H323 AromaticContact CD2-ND1 3.52Å; W255-H323 AromaticContact CE2-CE1 3.42Å; W255-H323 VanDerWaalsContact CE2-CE1 3.42Å; W255-H323 AromaticContact CE2-ND1 3.44Å; W255-H323 AromaticContact CE2-NE2 3.87Å; W255-H323 AromaticContact CE3-CE1 3.85Å; W255-H323 AromaticContact CE3-ND1 3.8Å; W255-H323 AromaticContact CG-CE1 3.23Å; W255-H323 AromaticContact CG-NE2 3.76Å; W255-H323 AromaticContact CZ2-ND1 3.73Å; W255-H323 AromaticContact NE1-CD2 3.89Å; W255-H323 AromaticContact NE1-CE1 3.41Å; W255-H323 PolarHBondContact NE1-CE1 3.39Å; W255-H323 AromaticContact NE1-ND1 3.8Å; W255-H323 AromaticContact NE1-NE2 3.41Å; W255-H323 PolarHBondContact NE1-NE2 3.45Å; K319-H323 VanDerWaalsContact CE-CB 3.46Å; K319-H323 VanDerWaalsContact CE-O 3.29Å; K319-H323 WeakPolarHBondContact CE-O 3.48Å; K319-H323 PolarHBondContact NZ-ND1 3.01Å; K319-H323 VanDerWaalsContact NZ-ND1 3.18Å; A320-H323 PolarHBondContact O-N 3.02Å; K321-H323 PolarHBondContact O-N 3.14Å; H323-I325 PolarHBondContact O-N 3.3Å
324	I	94.1	Very high	94.9	Very high	73 Å²	73	47.7 Å²	47.7	37%	0.374	22%	0.216	S	C	.	.			trans	-65.9	125	179.3	-63.9	177	0	0	0	108.9	K319 A320 K321 H322 D326	K319-I324 CarbonylContact C-O 3.5Å; K319-I324 WeakPolarHBondContact CA-O 3.5Å; A320-I324 PolarHBondContact N-O 3.04Å; K321-I324 PolarHBondContact O-N 2.89Å; H322-I324 HydrophobicContact CB-CD1 4.47Å; H322-I324 HydrophobicContact CB-CG1 4.38Å; H322-I324 PolarHBondContact O-N 3.03Å; I324-D326 PolarHBondContact O-N 3.04Å
325	I	96.3	Very high	94.8	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	112.8	166.1	-62.6	167.4	0	0	0	107.2	R38 V75 Y76 L317 H318 K319 H323 I328	R38-I325 VanDerWaalsContact CD-O 3.27Å; R38-I325 WeakPolarHBondContact CD-O 3.46Å; R38-I325 PolarHBondContact NH1-O 2.88Å; R38-I325 VanDerWaalsContact NH1-O 3.08Å; V75-I325 HydrophobicContact CG1-CB 4.41Å; V75-I325 HydrophobicContact CG1-CD1 3.88Å; V75-I325 HydrophobicContact CG1-CG2 4.11Å; V75-I325 HydrophobicContact CG2-CB 4.27Å; V75-I325 HydrophobicContact CG2-CG2 4.4Å; Y76-I325 HydrophobicContact CE2-CD1 4.15Å; L317-I325 HydrophobicContact CB-CD1 4.21Å; L317-I325 HydrophobicContact CB-CG2 4.49Å; L317-I325 HydrophobicContact CD1-CD1 4.28Å; H318-I325 VanDerWaalsContact O-CA 3.27Å; H318-I325 WeakPolarHBondContact O-CA 3.39Å; K319-I325 HydrophobicContact CG-CG1 3.82Å; H323-I325 PolarHBondContact O-N 3.3Å; I325-I328 HydrophobicContact CG2-CD1 3.98Å; I325-I328 HydrophobicContact CG2-CG1 4.24Å
326	D	96.1	Very high	94.6	Very high	53 Å²	53	51.1 Å²	51.1	28%	0.283	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-27.1	-177.2	65	-21	0	0	0	112.5	R38 H318 A320 I324	R38-D326 WeakPolarHBondContact CB-O 3.38Å; R38-D326 PolarHBondContact N-O 3.47Å; H318-D326 IonicContact CE1-OD1 3.05Å; H318-D326 IonicContact CG-OD1 2.6Å; H318-D326 IonicContact ND1-OD1 2.54Å; H318-D326 PolarHBondContact ND1-OD1 2.88Å; H318-D326 IonicContact ND1-OD2 3.15Å; H318-D326 PolarHBondContact O-N 3.02Å; H318-D326 VanDerWaalsContact O-N 3.12Å; A320-D326 HydrophobicContact CB-CB 4.2Å; A320-D326 WeakPolarHBondContact CB-OD2 3.41Å; I324-D326 PolarHBondContact O-N 3.04Å
327	E	96.6	Very high	94.4	Very high	30 Å²	30	53.6 Å²	53.6	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.4	-178.9	-58.4	-175.7	159.5	0	0	111.4	R35 I36 H318 Y329	R35-E327 IonicContact CZ-OE1 3.44Å; R35-E327 IonicContact CZ-OE2 3.87Å; R35-E327 VanDerWaalsContact CZ-OE2 3.24Å; R35-E327 IonicContact NE-OE1 3.6Å; R35-E327 PolarHBondContact NE-OE1 2.93Å; R35-E327 VanDerWaalsContact NE-OE1 3.15Å; R35-E327 IonicContact NE-OE2 2.76Å; R35-E327 PolarHBondContact NE-OE2 2.73Å; R35-E327 IonicContact NH2-OE1 2.83Å; R35-E327 PolarHBondContact NH2-OE1 3.36Å; R35-E327 IonicContact NH2-OE2 2.63Å; R35-E327 PolarHBondContact NH2-OE2 3.28Å; I36-E327 WeakPolarHBondContact O-CA 3.48Å; H318-E327 HydrophobicContact CB-CB 4.26Å; H318-E327 WeakPolarHBondContact CB-O 3.45Å; H318-E327 PolarHBondContact N-O 3.26Å; E327-Y329 HydrophobicContact CB-CE2 3.86Å; E327-Y329 PolarHBondContact OE2-OH 3.17Å
328	I	97.6	Very high	94.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.3	171.8	-59	78.4	0	0	0	107.2	I36 W41 I315 I316 L317 I325	I36-I328 WeakPolarHBondContact CB-O 3.15Å; I36-I328 PolarHBondContact N-O 3.42Å; I36-I328 PolarHBondContact O-N 3.25Å; W41-I328 HydrophobicContact CB-CD1 3.76Å; W41-I328 HydrophobicContact CD2-CB 4.01Å; W41-I328 HydrophobicContact CD2-CD1 3.93Å; W41-I328 HydrophobicContact CD2-CG1 3.78Å; W41-I328 HydrophobicContact CD2-CG2 4.2Å; W41-I328 HydrophobicContact CE3-CB 3.83Å; W41-I328 HydrophobicContact CE3-CG1 4.15Å; W41-I328 HydrophobicContact CE3-CG2 3.79Å; W41-I328 HydrophobicContact CG-CB 4.49Å; W41-I328 HydrophobicContact CG-CD1 3.53Å; W41-I328 HydrophobicContact CG-CG1 3.95Å; W41-I328 HydrophobicContact CH2-CG2 3.81Å; W41-I328 HydrophobicContact CZ2-CG2 4.21Å; W41-I328 HydrophobicContact CZ3-CB 4.17Å; W41-I328 HydrophobicContact CZ3-CG2 3.59Å; I315-I328 HydrophobicContact CG2-CG2 3.92Å; I316-I328 WeakPolarHBondContact O-CA 3.48Å; L317-I328 HydrophobicContact CD2-CG1 3.98Å; L317-I328 HydrophobicContact CD2-CG2 4.14Å; I325-I328 HydrophobicContact CG2-CD1 3.98Å; I325-I328 HydrophobicContact CG2-CG1 4.24Å
329	Y	97.4	Very high	94	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.9	172.3	-60.9	-107.4	0	0	0	108.3	R30 F34 R35 I315 I316 H318 E327	R30-Y329 HydrophobicContact CG-CE1 4.11Å; F34-Y329 CarbonylContact O-C 3.59Å; F34-Y329 VanDerWaalsContact O-CA 3.29Å; F34-Y329 WeakPolarHBondContact O-CA 3.15Å; R35-Y329 HydrophobicContact CB-CD1 4Å; R35-Y329 HydrophobicContact CB-CE1 3.8Å; R35-Y329 HydrophobicContact CG-CD1 4.17Å; R35-Y329 HydrophobicContact CG-CE1 3.6Å; R35-Y329 HydrophobicContact CG-CE2 4.49Å; R35-Y329 PolarHBondContact NE-OH 3.07Å; R35-Y329 VanDerWaalsContact NE-OH 3.14Å; I315-Y329 CarbonylContact C-O 3.48Å; I315-Y329 VanDerWaalsContact CA-O 3.29Å; I315-Y329 WeakPolarHBondContact CA-O 3.48Å; I316-Y329 HydrophobicContact CB-CD2 4.33Å; I316-Y329 HydrophobicContact CB-CG 4.49Å; I316-Y329 PolarHBondContact N-O 2.89Å; I316-Y329 PolarHBondContact O-N 3.1Å; H318-Y329 HydrophobicContact CB-CE2 4.09Å; E327-Y329 HydrophobicContact CB-CE2 3.86Å; E327-Y329 PolarHBondContact OE2-OH 3.17Å
330	L	96.8	Very high	93.9	Very high	30 Å²	30	62.5 Å²	62.5	16%	0.157	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.6	176.1	175.6	60.8	0	0	0	109.4	Y33 F34 I36 L82 I315	Y33-L330 CarbonylContact C-O 3.57Å; Y33-L330 VanDerWaalsContact CA-O 3.27Å; Y33-L330 WeakPolarHBondContact CA-O 3.44Å; Y33-L330 VanDerWaalsContact CD1-C 3.49Å; F34-L330 PolarHBondContact N-O 3.3Å; F34-L330 PolarHBondContact O-N 3.12Å; I36-L330 HydrophobicContact CD1-CB 4.27Å; L82-L330 HydrophobicContact CD2-CD1 3.83Å; L82-L330 HydrophobicContact CD2-CD2 4.2Å; I315-L330 HydrophobicContact CG1-CD1 3.96Å
331	R	95.9	Very high	93.8	Very high	70 Å²	70	65.8 Å²	65.8	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	140.7	-179.7	-175.5	177.6	-67.2	-151.2	7.4	111.3	Y33 G311 R312 A313 D314 Y333	Y33-R331 HydrophobicContact CD1-CB 4.11Å; Y33-R331 VanDerWaalsContact CD1-N 3.33Å; Y33-R331 HydrophobicContact CE1-CB 3.9Å; Y33-R331 PolarHBondContact OH-NH2 2.95Å; G311-R331 PolarHBondContact O-NH2 3.07Å; R312-R331 PolarHBondContact O-NH2 2.97Å; A313-R331 PolarHBondContact O-NE 3.02Å; A313-R331 PolarHBondContact O-NH2 3.2Å; D314-R331 WeakPolarHBondContact O-CB 3.47Å; D314-R331 PolarHBondContact O-N 3.18Å; R331-Y333 WeakPolarHBondContact CD-O 3.42Å; R331-Y333 VanDerWaalsContact CG-O 3.28Å; R331-Y333 WeakPolarHBondContact CG-O 3.22Å
332	K	93.2	Very high	94	Very high	79 Å²	79	59.7 Å²	59.7	34%	0.343	26%	0.263	S	S	.	.			trans	-86	-31.5	-179.2	-67.3	177.3	177.2	156.1	0	114.3	G31 N32 Y33 F34	G31-K332 PolarHBondContact O-NZ 3.49Å; N32-K332 WeakPolarHBondContact O-CB 3.34Å; N32-K332 WeakPolarHBondContact O-CG 3.27Å; N32-K332 PolarHBondContact O-N 3.3Å; Y33-K332 VanDerWaalsContact C-CE 3.47Å; Y33-K332 WeakPolarHBondContact O-CE 3.29Å; Y33-K332 PolarHBondContact O-NZ 3.15Å; F34-K332 HydrophobicContact CD1-CD 4.46Å; F34-K332 HydrophobicContact CD1-CG 4.16Å; F34-K332 HydrophobicContact CD2-CG 3.7Å; F34-K332 HydrophobicContact CE1-CD 4.28Å; F34-K332 HydrophobicContact CE1-CG 4.05Å; F34-K332 HydrophobicContact CE2-CB 4.18Å; F34-K332 HydrophobicContact CE2-CG 3.6Å; F34-K332 HydrophobicContact CG-CG 3.99Å; F34-K332 HydrophobicContact CZ-CB 4.48Å; F34-K332 HydrophobicContact CZ-CD 4.37Å; F34-K332 HydrophobicContact CZ-CG 3.77Å
333	Y	84.5	Confident	94.5	Very high	235 Å²	235	53.7 Å²	53.7	92%	0.922	24%	0.235	S	C	*	.			trans	-133.3	0	-165.8	-54.5	-62.7	0	0	0	112.6	R331	R331-Y333 WeakPolarHBondContact CD-O 3.42Å; R331-Y333 VanDerWaalsContact CG-O 3.28Å; R331-Y333 WeakPolarHBondContact CG-O 3.22Å

Retrieved 333 of 333 residues in 291.4 ms (Link to these results)

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