A0A087XE90_POEFO Loading...

Fructose-bisphosphate aldolase

AlphaFold DB , UniProt , Accession A0A087XE90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 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	45.1	Very low	50.6	Low	243 Å²	243	151.3 Å²	151.3	100%	1.197	82%	0.815	S	S	*	*				0	104.8	0	-76.7	178.7	-173.2	0	0	106.2
2	D	41.3	Very low	50.2	Low	145 Å²	145	159.3 Å²	159.3	78%	0.775	83%	0.825	S	S	*	*			trans	-86.7	117.1	-168.2	-162.6	-2.2	0	0	0	108.3	T4	D2-T4 PolarHBondContact O-N 3.08Å
3	V	49.7	Very low	49.8	Very low	136 Å²	136	160.6 Å²	160.6	82%	0.824	83%	0.825	S	S	*	*			trans	-97.1	83.6	173.3	-175.1	0	0	0	0	106.1	Q5	V3-Q5 PolarHBondContact O-N 3.44Å; V3-Q5 VanDerWaalsContact O-N 3.16Å
4	T	57.2	Low	49.7	Very low	110 Å²	110	157.9 Å²	157.9	68%	0.675	82%	0.819	S	S	*	*			trans	-60	115.5	176.1	49.4	0	0	0	0	109.5	D2	D2-T4 PolarHBondContact O-N 3.08Å
5	Q	55.8	Low	49.7	Very low	175 Å²	175	162.3 Å²	162.3	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-55.6	139.5	167.7	-71.7	-171.1	-12	0	0	109.6	V3	V3-Q5 PolarHBondContact O-N 3.44Å; V3-Q5 VanDerWaalsContact O-N 3.16Å
6	P	53.2	Low	50.2	Low	113 Å²	113	159.3 Å²	159.3	73%	0.734	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-60.7	140.3	169.9	26.6	-31.4	0	0	0	108.4
7	P	54	Low	50.6	Low	109 Å²	109	156 Å²	156	71%	0.708	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.3	144.2	178.3	25.2	-32.4	0	0	0	109.1	V9	P7-V9 PolarHBondContact O-N 2.89Å; P7-V9 VanDerWaalsContact O-N 3.14Å
8	P	51.4	Low	51	Low	118 Å²	118	154.6 Å²	154.6	77%	0.766	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-56.2	126.7	175	22.6	-31.1	0	0	0	108.3	R10	P8-R10 PolarHBondContact O-N 3.12Å
9	V	50.3	Low	51.9	Low	132 Å²	132	151.5 Å²	151.5	80%	0.8	79%	0.786	S	S	*	*			trans	-54.8	105.6	171.8	-179	0	0	0	0	106.1	P7 L11	P7-V9 PolarHBondContact O-N 2.89Å; P7-V9 VanDerWaalsContact O-N 3.14Å; V9-L11 PolarHBondContact O-N 3.17Å
10	R	50.3	Low	53.4	Low	234 Å²	234	153.3 Å²	153.3	88%	0.883	78%	0.784	S	S	*	*			trans	-62.6	94.4	166.1	-74.1	-173.8	-174.4	-152.5	1.9	105.1	P8 W12	P8-R10 PolarHBondContact O-N 3.12Å; R10-W12 PolarHBondContact O-N 2.92Å
11	L	48.5	Very low	54.8	Low	149 Å²	149	151.1 Å²	151.1	78%	0.78	78%	0.78	S	S	*	*			trans	-43.7	120.6	158.5	-79.7	160.3	0	0	0	105.1	V9 Q13	V9-L11 PolarHBondContact O-N 3.17Å; L11-Q13 PolarHBondContact O-N 2.79Å
12	W	45.8	Very low	57	Low	247 Å²	247	143 Å²	143	94%	0.936	74%	0.738	S	S	*	*			trans	-50.5	94.9	176.2	-68.2	86.2	0	0	0	107.6	R10 V14	R10-W12 PolarHBondContact O-N 2.92Å; W12-V14 VanDerWaalsContact C-N 3.26Å; W12-V14 PolarHBondContact O-N 3.15Å
13	Q	44.2	Very low	59.6	Low	177 Å²	177	136.5 Å²	136.5	83%	0.827	70%	0.703	S	S	*	*			trans	-62.7	100.4	168.8	-88.6	-178.4	-19.2	0	0	104	L11 R15	L11-Q13 PolarHBondContact O-N 2.79Å; Q13-R15 VanDerWaalsContact C-N 3.26Å; Q13-R15 PolarHBondContact O-N 2.68Å
14	V	48.5	Very low	61.9	Low	123 Å²	123	133 Å²	133	75%	0.745	68%	0.682	S	S	*	*			trans	-59.4	96.9	172.9	177.9	0	0	0	0	106.2	W12 M16	W12-V14 VanDerWaalsContact C-N 3.26Å; W12-V14 PolarHBondContact O-N 3.15Å; V14-M16 HydrophobicContact CG1-CB 4.15Å; V14-M16 HydrophobicContact CG1-CG 4.06Å; V14-M16 PolarHBondContact O-N 3.45Å
15	R	50.5	Low	63.8	Low	224 Å²	224	132.2 Å²	132.2	85%	0.845	68%	0.679	S	S	*	*			trans	-74.5	80.7	166	-79.3	-171.4	-179	-168.5	0.7	107.5	Q13	Q13-R15 VanDerWaalsContact C-N 3.26Å; Q13-R15 PolarHBondContact O-N 2.68Å
16	M	57.3	Low	65.8	Low	113 Å²	113	130.3 Å²	130.3	56%	0.557	67%	0.67	S	S	*	*			trans	-126.2	62	158.8	-71.7	-82.4	-83	0	0	110.5	V14	V14-M16 HydrophobicContact CG1-CB 4.15Å; V14-M16 HydrophobicContact CG1-CG 4.06Å; V14-M16 PolarHBondContact O-N 3.45Å
17	P	56.7	Low	68	Low	104 Å²	104	128 Å²	128	68%	0.675	65%	0.649	S	S	*	*			trans	-85.9	-2.7	174	35.1	-34.8	0	0	0	113.8
18	H	57.8	Low	70.1	Confident	131 Å²	131	126.5 Å²	126.5	61%	0.606	63%	0.632	S	S	*	*	S	Bend	trans	-124.8	132.4	-177.7	-64.1	-57	0	0	0	111.5	Y20	H18-Y20 HydrophobicContact CB-CE2 4.48Å; H18-Y20 WeakPolarHBondContact O-CD2 3.45Å; H18-Y20 PolarHBondContact O-N 3.27Å
19	A	68.6	Low	72.4	Confident	95 Å²	95	126.8 Å²	126.8	79%	0.785	62%	0.621	S	S	*	*			trans	-66.7	129.2	172	0	0	0	0	0	109.5	P21	A19-P21 WeakPolarHBondContact O-CD 3.39Å
20	Y	82.1	Confident	74.7	Confident	188 Å²	188	124.2 Å²	124.2	74%	0.737	60%	0.6	S	S	*	*			trans	-108.8	92.5	165.6	-70.1	-88.4	0	0	0	107.4	H18 F22	H18-Y20 HydrophobicContact CB-CE2 4.48Å; H18-Y20 WeakPolarHBondContact O-CD2 3.45Å; H18-Y20 PolarHBondContact O-N 3.27Å; Y20-F22 PolarHBondContact O-N 2.69Å
21	P	82.7	Confident	77	Confident	108 Å²	108	113 Å²	113	70%	0.701	56%	0.558	S	S	*	*			trans	-63.3	124.1	-178.8	-18.7	31.8	0	0	0	110.3	A19	A19-P21 WeakPolarHBondContact O-CD 3.39Å
22	F	91.4	Very high	79.4	Confident	71 Å²	71	107 Å²	107	31%	0.311	53%	0.529	S	S	.	.	S	Bend	trans	-94.2	-7.8	173.8	74.5	-85.9	0	0	0	113.3	Y20 Q194 M195 H236	Y20-F22 PolarHBondContact O-N 2.69Å; F22-Q194 HydrophobicContact CE2-CB 4.1Å; F22-Q194 HydrophobicContact CZ-CB 4.49Å; F22-M195 HydrophobicContact CD2-CG 4.08Å; F22-M195 HydrophobicContact CE2-CG 4.32Å; F22-H236 HydrophobicContact CD1-CB 4.34Å; F22-H236 HydrophobicContact CE1-CB 3.92Å; F22-H236 VanDerWaalsContact CE1-O 3.25Å; F22-H236 WeakPolarHBondContact CE1-O 3.46Å
23	L	96.1	Very high	81.9	Confident	9 Å²	9	99.1 Å²	99.1	5%	0.047	50%	0.504	C	S	.	.	S	Bend	trans	-116.9	131.1	173.9	-61.1	174.2	0	0	0	110.3	Q27 K28 L31 Q194 Y238	L23-Q27 HydrophobicContact CB-CB 4.3Å; L23-Q27 HydrophobicContact CD2-CB 4.11Å; L23-K28 HydrophobicContact CB-CG 3.82Å; L23-K28 HydrophobicContact CD1-CG 4.2Å; L23-L31 HydrophobicContact CD1-CD1 3.84Å; L23-L31 HydrophobicContact CD2-CD1 4.26Å; L23-Q194 HydrophobicContact CD1-CB 4.31Å; L23-Q194 HydrophobicContact CD2-CB 4.39Å; L23-Q194 WeakPolarHBondContact CD2-O 3.42Å; L23-Y238 HydrophobicContact CD1-CD1 4.31Å; L23-Y238 HydrophobicContact CD1-CG 4.25Å
24	T	97.3	Very high	84.5	Confident	62 Å²	62	91.6 Å²	91.6	38%	0.38	47%	0.47	S	S	.	.			trans	-71.5	163.7	168.3	80.7	0	0	0	0	110.9	E26 Q27 K28	T24-E26 VanDerWaalsContact CB-OE2 3.29Å; T24-E26 WeakPolarHBondContact CB-OE2 3.24Å; T24-E26 PolarHBondContact O-N 3.07Å; T24-E26 PolarHBondContact OG1-N 3.44Å; T24-E26 PolarHBondContact OG1-OE2 3.29Å; T24-Q27 PolarHBondContact O-N 2.92Å; T24-Q27 PolarHBondContact OG1-N 2.68Å; T24-K28 WeakPolarHBondContact O-CG 3.25Å; T24-K28 PolarHBondContact O-N 3.41Å
25	P	97.6	Very high	86.9	Confident	95 Å²	95	85.8 Å²	85.8	62%	0.617	43%	0.434	S	S	*	.	H	α-helix	trans	-54	-37.1	172.2	-26.9	36.9	0	0	0	113.5	K28 K29	P25-K28 PolarHBondContact O-N 3.4Å; P25-K29 WeakPolarHBondContact O-CB 3.46Å; P25-K29 PolarHBondContact O-N 3.02Å
26	E	98.3	Very high	89.2	Confident	134 Å²	134	79.8 Å²	79.8	63%	0.626	42%	0.416	S	S	*	.	H	α-helix	trans	-68.2	-43.9	179.1	-59.4	67.7	-143.3	0	0	111.1	T24 K29 E30	T24-E26 VanDerWaalsContact CB-OE2 3.29Å; T24-E26 WeakPolarHBondContact CB-OE2 3.24Å; T24-E26 PolarHBondContact O-N 3.07Å; T24-E26 PolarHBondContact OG1-N 3.44Å; T24-E26 PolarHBondContact OG1-OE2 3.29Å; E26-K29 PolarHBondContact O-N 3.4Å; E26-E30 PolarHBondContact O-N 2.87Å
27	Q	98.5	Very high	91.2	Very high	65 Å²	65	79.5 Å²	79.5	30%	0.304	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-40.7	175.7	-68.4	175.1	-47.3	0	0	111.6	L23 T24 E30 L31	L23-Q27 HydrophobicContact CB-CB 4.3Å; L23-Q27 HydrophobicContact CD2-CB 4.11Å; T24-Q27 PolarHBondContact O-N 2.92Å; T24-Q27 PolarHBondContact OG1-N 2.68Å; Q27-E30 PolarHBondContact O-N 3.28Å; Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 3.47Å; Q27-L31 VanDerWaalsContact O-N 3.08Å
28	K	98.6	Very high	93.2	Very high	78 Å²	78	74.6 Å²	74.6	34%	0.339	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-44.2	173.4	-75.5	-177.5	175.8	-175	0	111.7	L23 T24 P25 S32 Y238	L23-K28 HydrophobicContact CB-CG 3.82Å; L23-K28 HydrophobicContact CD1-CG 4.2Å; T24-K28 WeakPolarHBondContact O-CG 3.25Å; T24-K28 PolarHBondContact O-N 3.41Å; P25-K28 PolarHBondContact O-N 3.4Å; K28-S32 WeakPolarHBondContact O-CB 3.49Å; K28-S32 PolarHBondContact O-N 3.23Å; K28-Y238 HydrophobicContact CB-CD1 4.25Å; K28-Y238 HydrophobicContact CB-CE1 3.67Å; K28-Y238 HydrophobicContact CB-CE2 4.37Å; K28-Y238 HydrophobicContact CD-CD2 4.12Å; K28-Y238 HydrophobicContact CD-CE2 3.86Å; K28-Y238 HydrophobicContact CG-CD1 3.99Å; K28-Y238 HydrophobicContact CG-CD2 4.22Å; K28-Y238 HydrophobicContact CG-CE1 3.87Å; K28-Y238 HydrophobicContact CG-CE2 4.09Å; K28-Y238 HydrophobicContact CG-CG 4.16Å; K28-Y238 WeakPolarHBondContact O-CE1 3.35Å
29	K	98.7	Very high	95.2	Very high	124 Å²	124	68.7 Å²	68.7	54%	0.539	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-47.9	177.3	176.2	166.8	173.2	45	0	111.3	P25 E26 L31 S32 D33	P25-K29 WeakPolarHBondContact O-CB 3.46Å; P25-K29 PolarHBondContact O-N 3.02Å; E26-K29 PolarHBondContact O-N 3.4Å; K29-L31 PolarHBondContact O-N 2.93Å; K29-S32 PolarHBondContact O-N 3.36Å; K29-D33 WeakPolarHBondContact CE-OD2 3.25Å; K29-D33 WeakPolarHBondContact CG-OD2 3.25Å; K29-D33 VanDerWaalsContact NZ-CG 3.29Å; K29-D33 IonicContact NZ-OD1 2.79Å; K29-D33 PolarHBondContact NZ-OD1 3.28Å; K29-D33 VanDerWaalsContact NZ-OD1 3.07Å; K29-D33 IonicContact NZ-OD2 3.71Å; K29-D33 PolarHBondContact NZ-OD2 3.21Å; K29-D33 WeakPolarHBondContact O-CB 3.49Å; K29-D33 PolarHBondContact O-N 3.12Å
30	E	98.8	Very high	96.6	Very high	77 Å²	77	65.6 Å²	65.6	36%	0.36	33%	0.327	S	S	.	.	H	α-helix	trans	-55.6	-52.8	177.9	-176.8	-172.3	-176.7	0	0	111.4	E26 Q27 S32 D33 I34 K154	E26-E30 PolarHBondContact O-N 2.87Å; Q27-E30 PolarHBondContact O-N 3.28Å; E30-S32 VanDerWaalsContact C-N 3.32Å; E30-S32 PolarHBondContact O-N 2.64Å; E30-D33 PolarHBondContact O-N 2.83Å; E30-I34 HydrophobicContact CG-CD1 3.82Å; E30-I34 WeakPolarHBondContact O-CD1 3.44Å; E30-I34 VanDerWaalsContact O-CG1 3.25Å; E30-I34 WeakPolarHBondContact O-CG1 3.41Å; E30-I34 PolarHBondContact O-N 3.42Å; E30-K154 VanDerWaalsContact OE1-CE 3.3Å; E30-K154 WeakPolarHBondContact OE1-CE 3.28Å; E30-K154 IonicContact OE1-NZ 3.67Å; E30-K154 PolarHBondContact OE1-NZ 3Å
31	L	98.9	Very high	97.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-42	179.8	-70.4	167.3	0	0	0	112	L23 Q27 K29 A35 Q194 V199	L23-L31 HydrophobicContact CD1-CD1 3.84Å; L23-L31 HydrophobicContact CD2-CD1 4.26Å; Q27-L31 WeakPolarHBondContact O-CG 3.43Å; Q27-L31 PolarHBondContact O-N 3.47Å; Q27-L31 VanDerWaalsContact O-N 3.08Å; K29-L31 PolarHBondContact O-N 2.93Å; L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.95Å; L31-Q194 HydrophobicContact CD1-CB 3.91Å; L31-Q194 HydrophobicContact CD1-CG 3.88Å; L31-Q194 HydrophobicContact CD2-CG 4.48Å; L31-V199 HydrophobicContact CB-CG2 4.32Å; L31-V199 HydrophobicContact CD2-CG2 3.89Å; L31-V199 WeakPolarHBondContact O-CG2 3.14Å
32	S	98.9	Very high	98.1	Very high	23 Å²	23	57.8 Å²	57.8	16%	0.161	30%	0.301	C	S	.	.	H	α-helix	trans	-68.5	-43.7	179.7	-164.1	0	0	0	0	112.2	K28 K29 E30 I34 A35 Q36 E240	K28-S32 WeakPolarHBondContact O-CB 3.49Å; K28-S32 PolarHBondContact O-N 3.23Å; K29-S32 PolarHBondContact O-N 3.36Å; E30-S32 VanDerWaalsContact C-N 3.32Å; E30-S32 PolarHBondContact O-N 2.64Å; S32-I34 VanDerWaalsContact C-N 3.32Å; S32-I34 PolarHBondContact O-N 3.07Å; S32-A35 PolarHBondContact O-N 3.4Å; S32-Q36 WeakPolarHBondContact O-CB 3.28Å; S32-Q36 VanDerWaalsContact O-CG 3.25Å; S32-Q36 WeakPolarHBondContact O-CG 3.49Å; S32-Q36 PolarHBondContact O-N 3Å; S32-E240 WeakPolarHBondContact CA-O 3.31Å; S32-E240 PolarHBondContact OG-O 3.13Å
33	D	98.9	Very high	98.5	Very high	80 Å²	80	56.6 Å²	56.6	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-42.1	176.8	-70.9	-13.5	0	0	0	111	K29 E30 K37	K29-D33 WeakPolarHBondContact CE-OD2 3.25Å; K29-D33 WeakPolarHBondContact CG-OD2 3.25Å; K29-D33 VanDerWaalsContact NZ-CG 3.29Å; K29-D33 IonicContact NZ-OD1 2.79Å; K29-D33 PolarHBondContact NZ-OD1 3.28Å; K29-D33 VanDerWaalsContact NZ-OD1 3.07Å; K29-D33 IonicContact NZ-OD2 3.71Å; K29-D33 PolarHBondContact NZ-OD2 3.21Å; K29-D33 WeakPolarHBondContact O-CB 3.49Å; K29-D33 PolarHBondContact O-N 3.12Å; E30-D33 PolarHBondContact O-N 2.83Å; D33-K37 WeakPolarHBondContact O-CB 3.25Å; D33-K37 PolarHBondContact O-N 3.09Å
34	I	98.9	Very high	98.6	Very high	20 Å²	20	56.1 Å²	56.1	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-50.4	175.1	-68.1	162.2	0	0	0	110.5	E30 S32 Q36 K37 I38 V119 D159 V199	E30-I34 HydrophobicContact CG-CD1 3.82Å; E30-I34 WeakPolarHBondContact O-CD1 3.44Å; E30-I34 VanDerWaalsContact O-CG1 3.25Å; E30-I34 WeakPolarHBondContact O-CG1 3.41Å; E30-I34 PolarHBondContact O-N 3.42Å; S32-I34 VanDerWaalsContact C-N 3.32Å; S32-I34 PolarHBondContact O-N 3.07Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.24Å; I34-K37 PolarHBondContact O-N 3.11Å; I34-I38 HydrophobicContact CG2-CD1 3.92Å; I34-I38 WeakPolarHBondContact O-CG1 3.48Å; I34-I38 PolarHBondContact O-N 3.1Å; I34-I38 VanDerWaalsContact O-N 3.08Å; I34-V119 HydrophobicContact CG2-CG1 4.02Å; I34-D159 HydrophobicContact CD1-CB 4.03Å; I34-D159 HydrophobicContact CG1-CB 4.4Å; I34-D159 HydrophobicContact CG2-CB 4.08Å; I34-V199 HydrophobicContact CB-CG2 3.73Å; I34-V199 HydrophobicContact CG2-CB 4.23Å; I34-V199 HydrophobicContact CG2-CG2 3.56Å
35	A	98.9	Very high	98.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-45.3	-178.5	0	0	0	0	0	111.5	L31 S32 K37 I38 V39 V199 L243 P281	L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.95Å; S32-A35 PolarHBondContact O-N 3.4Å; A35-K37 PolarHBondContact O-N 2.91Å; A35-I38 PolarHBondContact O-N 3.26Å; A35-V39 WeakPolarHBondContact O-CG2 3.46Å; A35-V39 PolarHBondContact O-N 2.89Å; A35-V199 HydrophobicContact CB-CG1 4.04Å; A35-V199 HydrophobicContact CB-CG2 4.31Å; A35-L243 HydrophobicContact CB-CD2 4.4Å; A35-P281 HydrophobicContact CB-CB 4.21Å; A35-P281 HydrophobicContact CB-CG 3.84Å
36	Q	98.9	Very high	98.8	Very high	98 Å²	98	48.8 Å²	48.8	46%	0.458	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-39	176.5	-68.1	-68	-12.5	0	0	112.5	S32 I34 I38 V39 A40	S32-Q36 WeakPolarHBondContact O-CB 3.28Å; S32-Q36 VanDerWaalsContact O-CG 3.25Å; S32-Q36 WeakPolarHBondContact O-CG 3.49Å; S32-Q36 PolarHBondContact O-N 3Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.24Å; Q36-I38 VanDerWaalsContact C-N 3.31Å; Q36-I38 PolarHBondContact O-N 3.44Å; Q36-V39 CarbonylContact O-C 3.5Å; Q36-V39 PolarHBondContact O-N 3.02Å; Q36-A40 PolarHBondContact O-N 3.32Å
37	K	98.8	Very high	98.8	Very high	108 Å²	108	42.6 Å²	42.6	47%	0.47	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-38.7	175.9	-177.2	176.7	175.4	-176.9	0	112.2	D33 I34 A35 G117 V119	D33-K37 WeakPolarHBondContact O-CB 3.25Å; D33-K37 PolarHBondContact O-N 3.09Å; I34-K37 PolarHBondContact O-N 3.11Å; A35-K37 PolarHBondContact O-N 2.91Å; K37-G117 VanDerWaalsContact CE-O 3.28Å; K37-G117 WeakPolarHBondContact CE-O 3.41Å; K37-V119 HydrophobicContact CB-CG2 4.3Å; K37-V119 HydrophobicContact CD-CG2 3.67Å; K37-V119 HydrophobicContact CG-CG2 3.82Å
38	I	98.9	Very high	98.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-41.8	179.3	-66.9	164	0	0	0	111.1	I34 A35 Q36 I45 V119 F160 L243	I34-I38 HydrophobicContact CG2-CD1 3.92Å; I34-I38 WeakPolarHBondContact O-CG1 3.48Å; I34-I38 PolarHBondContact O-N 3.1Å; I34-I38 VanDerWaalsContact O-N 3.08Å; A35-I38 PolarHBondContact O-N 3.26Å; Q36-I38 VanDerWaalsContact C-N 3.31Å; Q36-I38 PolarHBondContact O-N 3.44Å; I38-I45 HydrophobicContact CG2-CD1 3.46Å; I38-I45 VanDerWaalsContact CG2-CD1 3.46Å; I38-I45 HydrophobicContact CG2-CG1 3.56Å; I38-V119 HydrophobicContact CD1-CG1 4.27Å; I38-V119 HydrophobicContact CG1-CB 3.88Å; I38-V119 HydrophobicContact CG1-CG1 4.13Å; I38-V119 HydrophobicContact CG1-CG2 3.87Å; I38-F160 HydrophobicContact CD1-CB 3.84Å; I38-F160 HydrophobicContact CD1-CD1 3.72Å; I38-F160 HydrophobicContact CD1-CD2 4.31Å; I38-F160 HydrophobicContact CD1-CE1 4.26Å; I38-F160 HydrophobicContact CD1-CG 3.74Å; I38-F160 HydrophobicContact CG1-CD1 4.43Å; I38-L243 HydrophobicContact CB-CD1 4.07Å; I38-L243 HydrophobicContact CD1-CD1 4.09Å; I38-L243 HydrophobicContact CG2-CD1 3.69Å
39	V	98.8	Very high	98.8	Very high	8 Å²	8	35.9 Å²	35.9	5%	0.048	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	23	-174.9	-56.8	0	0	0	0	113.9	A35 Q36 L243 P281 T284 A312 T314	A35-V39 WeakPolarHBondContact O-CG2 3.46Å; A35-V39 PolarHBondContact O-N 2.89Å; Q36-V39 CarbonylContact O-C 3.5Å; Q36-V39 PolarHBondContact O-N 3.02Å; V39-L243 HydrophobicContact CG1-CD1 3.98Å; V39-L243 HydrophobicContact CG1-CD2 3.63Å; V39-L243 HydrophobicContact CG1-CG 4.48Å; V39-L243 HydrophobicContact CG2-CD2 4.32Å; V39-P281 HydrophobicContact CG2-CB 4.38Å; V39-T284 HydrophobicContact CG1-CG2 3.67Å; V39-A312 HydrophobicContact CB-CB 3.95Å; V39-A312 HydrophobicContact CG2-CB 3.95Å; V39-T314 HydrophobicContact CB-CG2 4.34Å; V39-T314 HydrophobicContact CG1-CG2 4.03Å
40	A	98.8	Very high	98.7	Very high	29 Å²	29	30 Å²	30	24%	0.24	16%	0.162	C	C	.	.			trans	-53.6	152.4	176.5	0	0	0	0	0	111.5	Q36 G42 K43	Q36-A40 PolarHBondContact O-N 3.32Å; A40-G42 PolarHBondContact O-N 2.65Å; A40-K43 HydrophobicContact CB-CD 4.21Å; A40-K43 HydrophobicContact CB-CG 4.32Å; A40-K43 WeakPolarHBondContact O-CA 3.18Å; A40-K43 VanDerWaalsContact O-CB 3.25Å; A40-K43 WeakPolarHBondContact O-CB 3.22Å; A40-K43 PolarHBondContact O-N 3.29Å
41	P	98.6	Very high	98.5	Very high	127 Å²	127	27.2 Å²	27.2	83%	0.825	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	130.4	-175.9	-28.9	35.5	0	0	0	113.3	K43	P41-K43 PolarHBondContact O-N 2.91Å
42	G	98.5	Very high	98.3	Very high	6 Å²	6	29.9 Å²	29.9	6%	0.062	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-5.7	-176.8	0	0	0	0	0	114.8	A40 S351 C354	A40-G42 PolarHBondContact O-N 2.65Å; G42-S351 WeakPolarHBondContact O-CA 3.24Å; G42-S351 VanDerWaalsContact O-CB 3.22Å; G42-S351 WeakPolarHBondContact O-CB 3.33Å; G42-S351 PolarHBondContact O-OG 3.45Å; G42-C354 VanDerWaalsContact C-SG 3.51Å; G42-C354 WeakPolarHBondContact CA-SG 3.35Å
43	K	98.9	Very high	98	Very high	45 Å²	45	30.9 Å²	30.9	20%	0.196	18%	0.182	C	C	.	.			trans	-101.7	147.6	-178.3	-58.4	-158.5	178.5	-150.7	0	112.9	A40 P41 V86 P87 C88 T314	A40-K43 HydrophobicContact CB-CD 4.21Å; A40-K43 HydrophobicContact CB-CG 4.32Å; A40-K43 WeakPolarHBondContact O-CA 3.18Å; A40-K43 VanDerWaalsContact O-CB 3.25Å; A40-K43 WeakPolarHBondContact O-CB 3.22Å; A40-K43 PolarHBondContact O-N 3.29Å; P41-K43 PolarHBondContact O-N 2.91Å; K43-V86 PolarHBondContact NZ-O 2.97Å; K43-P87 WeakPolarHBondContact CG-O 3.4Å; K43-C88 CarbonylContact C-O 3.57Å; K43-C88 VanDerWaalsContact CA-O 3.28Å; K43-C88 WeakPolarHBondContact CA-O 3.35Å; K43-T314 WeakPolarHBondContact O-CB 3.32Å; K43-T314 PolarHBondContact O-OG1 3.37Å
44	G	98.8	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-160.1	166.7	0	0	0	0	0	111.4	C88 I89 G90 T314 F315	G44-C88 PolarHBondContact N-O 2.92Å; G44-I89 CarbonylContact O-C 3.57Å; G44-I89 WeakPolarHBondContact O-CA 3.41Å; G44-G90 PolarHBondContact O-N 3.08Å; G44-T314 WeakPolarHBondContact CA-OG1 3.31Å; G44-F315 CarbonylContact C-O 3.48Å; G44-F315 WeakPolarHBondContact CA-O 3.35Å
45	I	98.9	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.9	-172.9	-59.4	172.6	0	0	0	110.3	I38 G91 I93 F160 I201 L243 T284 F315 S316 Y317	I38-I45 HydrophobicContact CG2-CD1 3.46Å; I38-I45 VanDerWaalsContact CG2-CD1 3.46Å; I38-I45 HydrophobicContact CG2-CG1 3.56Å; I45-G91 VanDerWaalsContact CA-O 3.29Å; I45-G91 WeakPolarHBondContact CA-O 3.42Å; I45-I93 HydrophobicContact CG2-CD1 3.85Å; I45-I93 HydrophobicContact CG2-CG1 3.63Å; I45-F160 HydrophobicContact CD1-CE2 4.38Å; I45-F160 HydrophobicContact CG2-CZ 4.42Å; I45-I201 HydrophobicContact CD1-CD1 3.54Å; I45-L243 HydrophobicContact CD1-CD1 4.48Å; I45-T284 HydrophobicContact CD1-CG2 3.81Å; I45-T284 HydrophobicContact CG1-CG2 4.5Å; I45-F315 PolarHBondContact N-O 3.49Å; I45-S316 WeakPolarHBondContact O-CA 3.18Å; I45-Y317 PolarHBondContact O-N 2.79Å
46	L	98.9	Very high	97.1	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.1	163.1	171.6	61.8	0	0	0	108.9	A48 L78 F79 I89 G91 V92 I93 L321 Q322 F343	L46-A48 HydrophobicContact CD2-CB 4.45Å; L46-A48 HydrophobicContact CG-CB 4.2Å; L46-A48 PolarHBondContact O-N 3.27Å; L46-L78 HydrophobicContact CD2-CB 4.15Å; L46-L78 HydrophobicContact CD2-CD1 4.43Å; L46-F79 HydrophobicContact CD2-CD1 4.15Å; L46-F79 HydrophobicContact CD2-CE1 3.93Å; L46-I89 HydrophobicContact CB-CD1 4.42Å; L46-I89 HydrophobicContact CB-CG2 4.43Å; L46-G91 PolarHBondContact N-O 3.36Å; L46-G91 VanDerWaalsContact N-O 3.09Å; L46-V92 HydrophobicContact CB-CG1 4.29Å; L46-V92 HydrophobicContact CB-CG2 4.3Å; L46-V92 HydrophobicContact CD2-CG1 4.14Å; L46-V92 HydrophobicContact CG-CG1 4.22Å; L46-V92 CarbonylContact O-C 3.52Å; L46-V92 WeakPolarHBondContact O-CA 3.33Å; L46-I93 PolarHBondContact O-N 3.47Å; L46-L321 HydrophobicContact CB-CD1 4.42Å; L46-L321 HydrophobicContact CD1-CB 4.23Å; L46-L321 HydrophobicContact CD1-CD1 4.08Å; L46-Q322 HydrophobicContact CD1-CG 4.18Å; L46-F343 HydrophobicContact CD1-CE2 4.13Å; L46-F343 HydrophobicContact CD2-CE2 4.25Å; L46-F343 HydrophobicContact CD2-CZ 4Å
47	A	98.8	Very high	96.8	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	94	173.2	0	0	0	0	0	109.6	I93 Y317 G318 Q322	A47-I93 HydrophobicContact CB-CD1 4.13Å; A47-Y317 PolarHBondContact N-O 2.89Å; A47-G318 WeakPolarHBondContact O-CA 3.2Å; A47-Q322 PolarHBondContact O-NE2 2.82Å
48	A	98.5	Very high	96.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	33.2	179.3	0	0	0	0	0	111.5	L46 E50 R75 F79 V92 I93	L46-A48 HydrophobicContact CD2-CB 4.45Å; L46-A48 HydrophobicContact CG-CB 4.2Å; L46-A48 PolarHBondContact O-N 3.27Å; A48-E50 WeakPolarHBondContact CA-OE2 3.33Å; A48-R75 PolarHBondContact O-NH2 3.26Å; A48-F79 HydrophobicContact CB-CE1 4.07Å; A48-F79 HydrophobicContact CB-CZ 4.15Å; A48-V92 HydrophobicContact CB-CG1 4.3Å; A48-I93 CarbonylContact C-O 3.51Å; A48-I93 VanDerWaalsContact CA-O 3.31Å; A48-I93 WeakPolarHBondContact CA-O 3.39Å; A48-I93 PolarHBondContact N-O 2.85Å
49	D	98.3	Very high	96.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	15%	0.153	C	C	.	.			trans	-100.7	23.4	-171.8	64.5	-52.3	0	0	0	113.7	S51 I93 K123 K162	D49-S51 PolarHBondContact O-N 2.74Å; D49-I93 HydrophobicContact CB-CB 4.07Å; D49-I93 HydrophobicContact CB-CG2 3.57Å; D49-I93 PolarHBondContact N-O 3.4Å; D49-K123 HydrophobicContact CB-CB 3.77Å; D49-K123 HydrophobicContact CB-CD 4.36Å; D49-K123 WeakPolarHBondContact OD2-CD 3.47Å; D49-K162 WeakPolarHBondContact OD2-CD 3.37Å; D49-K162 VanDerWaalsContact OD2-CE 3.23Å; D49-K162 WeakPolarHBondContact OD2-CE 3.46Å; D49-K162 IonicContact OD2-NZ 3.67Å; D49-K162 PolarHBondContact OD2-NZ 3.26Å
50	E	96.9	Very high	96.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	18%	0.18	C	C	.	.			trans	-61.6	127	176.3	-53.2	81.2	-176.8	0	0	110.3	A48 V55 R58 R75 Q322	A48-E50 WeakPolarHBondContact CA-OE2 3.33Å; E50-V55 HydrophobicContact CB-CB 4.06Å; E50-R58 VanDerWaalsContact CG-CZ 3.47Å; E50-R58 VanDerWaalsContact CG-NH2 3.27Å; E50-R58 IonicContact OE1-CZ 3.4Å; E50-R58 IonicContact OE1-NH1 3.85Å; E50-R58 PolarHBondContact OE1-NH1 2.66Å; E50-R58 IonicContact OE1-NH2 3.73Å; E50-R58 PolarHBondContact OE1-NH2 3.21Å; E50-R75 PolarHBondContact O-NH2 3.31Å; E50-R75 IonicContact OE2-CZ 2.82Å; E50-R75 IonicContact OE2-NE 3.91Å; E50-R75 IonicContact OE2-NH2 3Å; E50-R75 PolarHBondContact OE2-NH2 3.43Å; E50-Q322 PolarHBondContact OE1-NE2 2.67Å
51	S	94.2	Very high	96	Very high	18 Å²	18	33.9 Å²	33.9	13%	0.126	20%	0.199	C	C	.	.			trans	-58.1	162	169.6	72.2	0	0	0	0	110.8	D49 G53 S54 V55 Y378	D49-S51 PolarHBondContact O-N 2.74Å; S51-G53 PolarHBondContact O-N 3.29Å; S51-S54 PolarHBondContact O-N 2.97Å; S51-S54 VanDerWaalsContact OG-CB 3.32Å; S51-S54 WeakPolarHBondContact OG-CB 3.33Å; S51-S54 PolarHBondContact OG-N 3.43Å; S51-S54 PolarHBondContact OG-OG 3.47Å; S51-V55 WeakPolarHBondContact O-CG1 3.48Å; S51-V55 PolarHBondContact O-N 3.42Å; S51-Y378 PolarHBondContact OG-OXT 3.16Å
52	T	95	Very high	95.8	Very high	55 Å²	55	29 Å²	29	34%	0.337	17%	0.166	S	C	.	.	H	α-helix	trans	-53.7	-38.6	175	-49.3	0	0	0	0	112.4	V55 A56 N66	T52-V55 WeakPolarHBondContact O-CG1 3.37Å; T52-A56 WeakPolarHBondContact O-CB 3.47Å; T52-A56 PolarHBondContact O-N 3.32Å; T52-N66 PolarHBondContact O-ND2 2.9Å
53	G	92.6	Very high	95.7	Very high	45 Å²	45	36.2 Å²	36.2	46%	0.464	20%	0.203	S	C	.	.	H	α-helix	trans	-72.5	-37.9	176.2	0	0	0	0	0	113.3	S51 A56	S51-G53 PolarHBondContact O-N 3.29Å; G53-A56 WeakPolarHBondContact O-CB 3.45Å; G53-A56 PolarHBondContact O-N 2.83Å
54	S	91.4	Very high	95.4	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-70.3	-41.9	178.9	-81	0	0	0	0	113.2	S51 A56 K57 Y378	S51-S54 PolarHBondContact O-N 2.97Å; S51-S54 VanDerWaalsContact OG-CB 3.32Å; S51-S54 WeakPolarHBondContact OG-CB 3.33Å; S51-S54 PolarHBondContact OG-N 3.43Å; S51-S54 PolarHBondContact OG-OG 3.47Å; S54-A56 VanDerWaalsContact C-N 3.3Å; S54-K57 PolarHBondContact O-N 2.91Å; S54-Y378 VanDerWaalsContact OG-CA 3.26Å; S54-Y378 WeakPolarHBondContact OG-CA 3.38Å; S54-Y378 WeakPolarHBondContact OG-CD1 3.44Å; S54-Y378 PolarHBondContact OG-OXT 3.24Å
55	V	93.8	Very high	95.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-28.1	175.6	70.6	0	0	0	0	111.9	E50 S51 T52 K57 R58 F59 R71	E50-V55 HydrophobicContact CB-CB 4.06Å; S51-V55 WeakPolarHBondContact O-CG1 3.48Å; S51-V55 PolarHBondContact O-N 3.42Å; T52-V55 WeakPolarHBondContact O-CG1 3.37Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 2.91Å; V55-R58 WeakPolarHBondContact O-CA 3.47Å; V55-R58 WeakPolarHBondContact O-CB 3.29Å; V55-R58 PolarHBondContact O-N 3.4Å; V55-F59 HydrophobicContact CG2-CD1 3.97Å; V55-F59 HydrophobicContact CG2-CE1 3.66Å; V55-F59 HydrophobicContact CG2-CE2 4.39Å; V55-F59 HydrophobicContact CG2-CG 4.47Å; V55-F59 HydrophobicContact CG2-CZ 3.89Å; V55-F59 PolarHBondContact O-N 3.31Å; V55-R71 HydrophobicContact CG1-CG 3.87Å; V55-R71 HydrophobicContact CG2-CG 4.47Å
56	A	93.3	Very high	95.2	Very high	17 Å²	17	44.1 Å²	44.1	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-54.1	-48.5	172.4	0	0	0	0	0	111.9	T52 G53 S54 R58 F59 Q60 N66	T52-A56 WeakPolarHBondContact O-CB 3.47Å; T52-A56 PolarHBondContact O-N 3.32Å; G53-A56 WeakPolarHBondContact O-CB 3.45Å; G53-A56 PolarHBondContact O-N 2.83Å; S54-A56 VanDerWaalsContact C-N 3.3Å; A56-R58 PolarHBondContact O-N 3.1Å; A56-F59 PolarHBondContact O-N 3.06Å; A56-Q60 VanDerWaalsContact O-CG 3.29Å; A56-Q60 WeakPolarHBondContact O-CG 3.16Å; A56-Q60 PolarHBondContact O-N 3.45Å; A56-N66 HydrophobicContact CB-CB 4.29Å; A56-N66 WeakPolarHBondContact CB-ND2 3.25Å
57	K	92.6	Very high	95.2	Very high	121 Å²	121	45.9 Å²	45.9	53%	0.526	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-34.6	178.1	-64.9	177.7	-177.3	173.5	0	111.9	S54 V55	S54-K57 PolarHBondContact O-N 2.91Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 2.91Å
58	R	93.1	Very high	95.1	Very high	34 Å²	34	51.4 Å²	51.4	13%	0.128	28%	0.282	C	S	.	.	H	α-helix	trans	-70	-46.8	176	-66.4	-165.5	-176.9	177.6	14	111.6	E50 V55 A56 Q60 S61 L326	E50-R58 VanDerWaalsContact CG-CZ 3.47Å; E50-R58 VanDerWaalsContact CG-NH2 3.27Å; E50-R58 IonicContact OE1-CZ 3.4Å; E50-R58 IonicContact OE1-NH1 3.85Å; E50-R58 PolarHBondContact OE1-NH1 2.66Å; E50-R58 IonicContact OE1-NH2 3.73Å; E50-R58 PolarHBondContact OE1-NH2 3.21Å; V55-R58 WeakPolarHBondContact O-CA 3.47Å; V55-R58 WeakPolarHBondContact O-CB 3.29Å; V55-R58 PolarHBondContact O-N 3.4Å; A56-R58 PolarHBondContact O-N 3.1Å; R58-Q60 VanDerWaalsContact C-N 3.32Å; R58-Q60 PolarHBondContact O-N 3.24Å; R58-S61 WeakPolarHBondContact O-CB 3.44Å; R58-S61 PolarHBondContact O-N 2.95Å; R58-S61 VanDerWaalsContact O-N 3.14Å; R58-S61 PolarHBondContact O-OG 3.46Å; R58-L326 HydrophobicContact CB-CD2 3.72Å
59	F	96.8	Very high	95.1	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-33.8	-179.9	-76	9.3	0	0	0	112.6	V55 A56 S61 I62 N63 A64 E65 N66 N70 R71 Y74 L326 W329	V55-F59 HydrophobicContact CG2-CD1 3.97Å; V55-F59 HydrophobicContact CG2-CE1 3.66Å; V55-F59 HydrophobicContact CG2-CE2 4.39Å; V55-F59 HydrophobicContact CG2-CG 4.47Å; V55-F59 HydrophobicContact CG2-CZ 3.89Å; V55-F59 PolarHBondContact O-N 3.31Å; A56-F59 PolarHBondContact O-N 3.06Å; F59-S61 PolarHBondContact O-N 3.36Å; F59-I62 CarbonylContact O-C 3.45Å; F59-I62 WeakPolarHBondContact O-CG1 3.36Å; F59-I62 PolarHBondContact O-N 3.46Å; F59-I62 VanDerWaalsContact O-N 3.08Å; F59-N63 PolarHBondContact O-N 3.31Å; F59-N63 VanDerWaalsContact O-N 3.12Å; F59-A64 HydrophobicContact CB-CB 4.07Å; F59-A64 HydrophobicContact CD2-CB 4.47Å; F59-A64 HydrophobicContact CG-CB 4.27Å; F59-A64 PolarHBondContact O-N 3.02Å; F59-E65 WeakPolarHBondContact CD2-O 3.16Å; F59-N66 HydrophobicContact CD2-CB 4.42Å; F59-N70 HydrophobicContact CD2-CB 4.47Å; F59-N70 HydrophobicContact CE2-CB 3.77Å; F59-R71 HydrophobicContact CE2-CG 4.02Å; F59-R71 HydrophobicContact CZ-CG 4.38Å; F59-Y74 AromaticContact CE1-CD1 3.99Å; F59-Y74 HydrophobicContact CE1-CD1 3.99Å; F59-Y74 HydrophobicContact CE1-CG 4.05Å; F59-Y74 HydrophobicContact CZ-CD1 4.29Å; F59-Y74 HydrophobicContact CZ-CG 4.2Å; F59-L326 HydrophobicContact CD1-CD1 3.95Å; F59-L326 HydrophobicContact CE1-CD1 3.88Å; F59-W329 HydrophobicContact CD1-CZ3 4.42Å; F59-W329 AromaticContact CE1-CZ3 3.75Å; F59-W329 HydrophobicContact CE1-CZ3 3.75Å; F59-W329 HydrophobicContact CE2-CZ3 4.46Å; F59-W329 HydrophobicContact CZ-CH2 4.11Å; F59-W329 AromaticContact CZ-CZ3 3.78Å; F59-W329 HydrophobicContact CZ-CZ3 3.78Å
60	Q	94.8	Very high	95.1	Very high	133 Å²	133	57.1 Å²	57.1	62%	0.621	31%	0.309	S	S	*	.	H	α-helix	trans	-55.7	-38.5	171.4	-75.7	169.6	-3.6	0	0	112.4	A56 R58 I62 N63	A56-Q60 VanDerWaalsContact O-CG 3.29Å; A56-Q60 WeakPolarHBondContact O-CG 3.16Å; A56-Q60 PolarHBondContact O-N 3.45Å; R58-Q60 VanDerWaalsContact C-N 3.32Å; R58-Q60 PolarHBondContact O-N 3.24Å; Q60-I62 PolarHBondContact O-N 2.87Å; Q60-I62 VanDerWaalsContact O-N 3.13Å; Q60-N63 PolarHBondContact O-N 3.49Å; Q60-N63 VanDerWaalsContact O-N 3.09Å
61	S	93.1	Very high	95.1	Very high	92 Å²	92	57.9 Å²	57.9	64%	0.643	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.6	179.7	75.1	0	0	0	0	114.5	R58 F59	R58-S61 WeakPolarHBondContact O-CB 3.44Å; R58-S61 PolarHBondContact O-N 2.95Å; R58-S61 VanDerWaalsContact O-N 3.14Å; R58-S61 PolarHBondContact O-OG 3.46Å; F59-S61 PolarHBondContact O-N 3.36Å
62	I	95.1	Very high	95.3	Very high	26 Å²	26	58.4 Å²	58.4	13%	0.133	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	11.8	177.4	60	163	0	0	0	112.3	F59 Q60 A64 L326 W329	F59-I62 CarbonylContact O-C 3.45Å; F59-I62 WeakPolarHBondContact O-CG1 3.36Å; F59-I62 PolarHBondContact O-N 3.46Å; F59-I62 VanDerWaalsContact O-N 3.08Å; Q60-I62 PolarHBondContact O-N 2.87Å; Q60-I62 VanDerWaalsContact O-N 3.13Å; I62-A64 HydrophobicContact CD1-CB 3.72Å; I62-A64 HydrophobicContact CG1-CB 3.78Å; I62-A64 PolarHBondContact O-N 2.67Å; I62-L326 HydrophobicContact CD1-CD1 3.67Å; I62-L326 HydrophobicContact CD1-CG 3.93Å; I62-L326 HydrophobicContact CG1-CG 4.5Å; I62-L326 HydrophobicContact CG2-CG 4.25Å; I62-W329 HydrophobicContact CD1-CE3 3.99Å; I62-W329 HydrophobicContact CD1-CZ3 4.28Å
63	N	94.9	Very high	95.5	Very high	157 Å²	157	57.2 Å²	57.2	84%	0.84	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	32.5	-175.3	-57.1	-52.7	0	0	0	114.1	F59 Q60	F59-N63 PolarHBondContact O-N 3.31Å; F59-N63 VanDerWaalsContact O-N 3.12Å; Q60-N63 PolarHBondContact O-N 3.49Å; Q60-N63 VanDerWaalsContact O-N 3.09Å
64	A	94.4	Very high	95.8	Very high	17 Å²	17	55.1 Å²	55.1	14%	0.14	28%	0.281	C	S	.	.			trans	-91.9	145.2	174.5	0	0	0	0	0	111.1	F59 I62	F59-A64 HydrophobicContact CB-CB 4.07Å; F59-A64 HydrophobicContact CD2-CB 4.47Å; F59-A64 HydrophobicContact CG-CB 4.27Å; F59-A64 PolarHBondContact O-N 3.02Å; I62-A64 HydrophobicContact CD1-CB 3.72Å; I62-A64 HydrophobicContact CG1-CB 3.78Å; I62-A64 PolarHBondContact O-N 2.67Å
65	E	95.7	Very high	96.1	Very high	142 Å²	142	54.8 Å²	54.8	66%	0.664	28%	0.279	S	S	*	.			trans	-75.4	137.5	176.3	-165.7	-174.4	174.4	0	0	111.4	F59 T67 N70	F59-E65 WeakPolarHBondContact CD2-O 3.16Å; E65-T67 VanDerWaalsContact C-N 3.32Å; E65-T67 HydrophobicContact CB-CG2 4.24Å; E65-T67 HydrophobicContact CG-CG2 3.72Å; E65-T67 PolarHBondContact O-N 3.15Å; E65-T67 VanDerWaalsContact O-N 3.08Å; E65-N70 WeakPolarHBondContact O-CB 3.38Å; E65-N70 PolarHBondContact O-ND2 3.26Å
66	N	97.4	Very high	96.3	Very high	51 Å²	51	55.7 Å²	55.7	27%	0.273	28%	0.283	S	S	.	.			trans	-85.9	65.4	178.4	-173.1	28.1	0	0	0	113	T52 A56 F59 R71	T52-N66 PolarHBondContact O-ND2 2.9Å; A56-N66 HydrophobicContact CB-CB 4.29Å; A56-N66 WeakPolarHBondContact CB-ND2 3.25Å; F59-N66 HydrophobicContact CD2-CB 4.42Å; N66-R71 PolarHBondContact O-NH1 3.21Å; N66-R71 WeakPolarHBondContact OD1-CD 3.25Å; N66-R71 PolarHBondContact OD1-NH1 2.98Å
67	T	97.6	Very high	96.6	Very high	41 Å²	41	56 Å²	56	25%	0.252	28%	0.282	S	S	.	.			trans	-90.9	158.1	172.6	67.7	0	0	0	0	111.3	E65 E69 N70 R71	E65-T67 VanDerWaalsContact C-N 3.32Å; E65-T67 HydrophobicContact CB-CG2 4.24Å; E65-T67 HydrophobicContact CG-CG2 3.72Å; E65-T67 PolarHBondContact O-N 3.15Å; E65-T67 VanDerWaalsContact O-N 3.08Å; T67-E69 VanDerWaalsContact C-N 3.25Å; T67-E69 PolarHBondContact O-N 3.43Å; T67-N70 PolarHBondContact O-N 3.21Å; T67-N70 WeakPolarHBondContact OG1-CB 3.43Å; T67-N70 PolarHBondContact OG1-N 3.44Å; T67-N70 VanDerWaalsContact OG1-N 3.08Å; T67-N70 PolarHBondContact OG1-ND2 2.9Å; T67-R71 VanDerWaalsContact C-NH1 3.32Å; T67-R71 WeakPolarHBondContact O-CG 3.35Å; T67-R71 PolarHBondContact O-N 3.37Å; T67-R71 PolarHBondContact O-NH1 3.42Å
68	E	98.1	Very high	96.9	Very high	119 Å²	119	50.3 Å²	50.3	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-56.6	-42.1	173.5	-174.3	-178.3	164	0	0	111.7	R71 R72	E68-R71 VanDerWaalsContact CA-NH2 3.33Å; E68-R71 WeakPolarHBondContact O-CB 3.39Å; E68-R71 PolarHBondContact O-N 2.84Å; E68-R72 WeakPolarHBondContact O-CB 3.44Å; E68-R72 PolarHBondContact O-N 3.39Å
69	E	97.6	Very high	97.1	Very high	90 Å²	90	48.8 Å²	48.8	42%	0.421	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-42.4	178.7	177.8	56.7	-167	0	0	112.2	T67 R71 R72 L73	T67-E69 VanDerWaalsContact C-N 3.25Å; T67-E69 PolarHBondContact O-N 3.43Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.12Å; E69-R72 WeakPolarHBondContact O-CB 3.25Å; E69-R72 PolarHBondContact O-N 3.44Å; E69-R72 IonicContact OE1-CZ 2.69Å; E69-R72 IonicContact OE1-NE 3.07Å; E69-R72 PolarHBondContact OE1-NE 3.32Å; E69-R72 IonicContact OE1-NH2 3.93Å; E69-R72 PolarHBondContact OE1-NH2 2.96Å; E69-R72 IonicContact OE2-CZ 3.51Å; E69-R72 IonicContact OE2-NE 2.68Å; E69-R72 PolarHBondContact OE2-NE 3.49Å; E69-R72 IonicContact OE2-NH2 3.27Å; E69-L73 HydrophobicContact CG-CD1 3.92Å; E69-L73 HydrophobicContact CG-CG 4.29Å; E69-L73 WeakPolarHBondContact O-CB 3.45Å; E69-L73 VanDerWaalsContact O-CG 3.32Å; E69-L73 WeakPolarHBondContact O-CG 3.33Å; E69-L73 PolarHBondContact O-N 2.93Å; E69-L73 WeakPolarHBondContact OE1-CD1 3.4Å; E69-L73 VanDerWaalsContact OE1-CG 3.28Å; E69-L73 WeakPolarHBondContact OE1-CG 3.35Å
70	N	97.7	Very high	97.2	Very high	31 Å²	31	50.8 Å²	50.8	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-36	176.3	-77	-14.8	0	0	0	111.8	F59 E65 T67 Y74 W329	F59-N70 HydrophobicContact CD2-CB 4.47Å; F59-N70 HydrophobicContact CE2-CB 3.77Å; E65-N70 WeakPolarHBondContact O-CB 3.38Å; E65-N70 PolarHBondContact O-ND2 3.26Å; T67-N70 PolarHBondContact O-N 3.21Å; T67-N70 WeakPolarHBondContact OG1-CB 3.43Å; T67-N70 PolarHBondContact OG1-N 3.44Å; T67-N70 VanDerWaalsContact OG1-N 3.08Å; T67-N70 PolarHBondContact OG1-ND2 2.9Å; N70-Y74 VanDerWaalsContact O-CB 3.3Å; N70-Y74 WeakPolarHBondContact O-CB 3.47Å; N70-Y74 PolarHBondContact O-N 3.25Å; N70-W329 HydrophobicContact CB-CH2 4.34Å
71	R	98.5	Very high	97.4	Very high	19 Å²	19	44.4 Å²	44.4	7%	0.072	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-46.6	172.3	-68.6	-171.1	-62	-85.1	4.3	110.8	V55 F59 N66 T67 E68 E69 Y74 R75 E97	V55-R71 HydrophobicContact CG1-CG 3.87Å; V55-R71 HydrophobicContact CG2-CG 4.47Å; F59-R71 HydrophobicContact CE2-CG 4.02Å; F59-R71 HydrophobicContact CZ-CG 4.38Å; N66-R71 PolarHBondContact O-NH1 3.21Å; N66-R71 WeakPolarHBondContact OD1-CD 3.25Å; N66-R71 PolarHBondContact OD1-NH1 2.98Å; T67-R71 VanDerWaalsContact C-NH1 3.32Å; T67-R71 WeakPolarHBondContact O-CG 3.35Å; T67-R71 PolarHBondContact O-N 3.37Å; T67-R71 PolarHBondContact O-NH1 3.42Å; E68-R71 VanDerWaalsContact CA-NH2 3.33Å; E68-R71 WeakPolarHBondContact O-CB 3.39Å; E68-R71 PolarHBondContact O-N 2.84Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.12Å; R71-Y74 PolarHBondContact O-N 3.42Å; R71-R75 VanDerWaalsContact O-CD 3.22Å; R71-R75 WeakPolarHBondContact O-CD 3.45Å; R71-R75 PolarHBondContact O-N 3.08Å; R71-E97 WeakPolarHBondContact CD-OE1 3.28Å; R71-E97 IonicContact CZ-OE1 3.33Å; R71-E97 IonicContact CZ-OE2 3.35Å; R71-E97 VanDerWaalsContact CZ-OE2 3.29Å; R71-E97 VanDerWaalsContact NE-CD 3.33Å; R71-E97 IonicContact NE-OE1 3.24Å; R71-E97 PolarHBondContact NE-OE1 2.9Å; R71-E97 IonicContact NE-OE2 2.65Å; R71-E97 PolarHBondContact NE-OE2 2.85Å; R71-E97 VanDerWaalsContact NE-OE2 3.07Å; R71-E97 IonicContact NH2-OE1 2.69Å; R71-E97 IonicContact NH2-OE2 3.07Å; R71-E97 PolarHBondContact NH2-OE2 3.34Å
72	R	98.5	Very high	97.5	Very high	29 Å²	29	42.4 Å²	42.4	11%	0.109	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-51.5	176.6	-170.7	-161.2	72	78.7	1.3	111.6	E68 E69 Y74 R75 Q76 Q101 K102 D104 F109	E68-R72 WeakPolarHBondContact O-CB 3.44Å; E68-R72 PolarHBondContact O-N 3.39Å; E69-R72 WeakPolarHBondContact O-CB 3.25Å; E69-R72 PolarHBondContact O-N 3.44Å; E69-R72 IonicContact OE1-CZ 2.69Å; E69-R72 IonicContact OE1-NE 3.07Å; E69-R72 PolarHBondContact OE1-NE 3.32Å; E69-R72 IonicContact OE1-NH2 3.93Å; E69-R72 PolarHBondContact OE1-NH2 2.96Å; E69-R72 IonicContact OE2-CZ 3.51Å; E69-R72 IonicContact OE2-NE 2.68Å; E69-R72 PolarHBondContact OE2-NE 3.49Å; E69-R72 IonicContact OE2-NH2 3.27Å; R72-Y74 PolarHBondContact O-N 3.46Å; R72-R75 PolarHBondContact O-N 3.27Å; R72-Q76 WeakPolarHBondContact O-CB 3.26Å; R72-Q76 PolarHBondContact O-N 3.28Å; R72-Q101 HydrophobicContact CB-CG 4.44Å; R72-Q101 HydrophobicContact CG-CB 4.12Å; R72-Q101 HydrophobicContact CG-CG 4.17Å; R72-K102 WeakPolarHBondContact CD-O 3.28Å; R72-K102 PolarHBondContact NH1-O 2.69Å; R72-D104 IonicContact CZ-OD1 3.83Å; R72-D104 VanDerWaalsContact CZ-OD1 3.28Å; R72-D104 IonicContact NH1-OD1 3.45Å; R72-D104 PolarHBondContact NH1-OD1 3.19Å; R72-D104 IonicContact NH2-OD1 2.79Å; R72-D104 PolarHBondContact NH2-OD1 2.82Å; R72-F109 HydrophobicContact CG-CE2 4.1Å; R72-F109 HydrophobicContact CG-CZ 4.06Å
73	L	98	Very high	97.6	Very high	29 Å²	29	46.8 Å²	46.8	15%	0.152	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-47.5	179.1	-76.1	169.8	0	0	0	111.6	E69 R75 Q76 L77 W329	E69-L73 HydrophobicContact CG-CD1 3.92Å; E69-L73 HydrophobicContact CG-CG 4.29Å; E69-L73 WeakPolarHBondContact O-CB 3.45Å; E69-L73 VanDerWaalsContact O-CG 3.32Å; E69-L73 WeakPolarHBondContact O-CG 3.33Å; E69-L73 PolarHBondContact O-N 2.93Å; E69-L73 WeakPolarHBondContact OE1-CD1 3.4Å; E69-L73 VanDerWaalsContact OE1-CG 3.28Å; E69-L73 WeakPolarHBondContact OE1-CG 3.35Å; L73-R75 PolarHBondContact O-N 3.41Å; L73-Q76 WeakPolarHBondContact O-CB 2.89Å; L73-Q76 PolarHBondContact O-N 2.82Å; L73-L77 WeakPolarHBondContact O-CG 3.34Å; L73-L77 PolarHBondContact O-N 2.69Å; L73-W329 HydrophobicContact CB-CZ2 4.48Å
74	Y	98.6	Very high	97.8	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-43.8	178.8	-179.8	-116.1	0	0	0	112.1	F59 N70 R71 R72 L77 L78 Q322 L326 W329	F59-Y74 AromaticContact CE1-CD1 3.99Å; F59-Y74 HydrophobicContact CE1-CD1 3.99Å; F59-Y74 HydrophobicContact CE1-CG 4.05Å; F59-Y74 HydrophobicContact CZ-CD1 4.29Å; F59-Y74 HydrophobicContact CZ-CG 4.2Å; N70-Y74 VanDerWaalsContact O-CB 3.3Å; N70-Y74 WeakPolarHBondContact O-CB 3.47Å; N70-Y74 PolarHBondContact O-N 3.25Å; R71-Y74 PolarHBondContact O-N 3.42Å; R72-Y74 PolarHBondContact O-N 3.46Å; Y74-L77 PolarHBondContact O-N 2.89Å; Y74-L78 HydrophobicContact CE1-CD1 3.99Å; Y74-L78 PolarHBondContact O-N 3.07Å; Y74-Q322 VanDerWaalsContact CE1-OE1 3.31Å; Y74-Q322 WeakPolarHBondContact OH-CB 3.46Å; Y74-Q322 PolarHBondContact OH-OE1 3.21Å; Y74-L326 HydrophobicContact CD2-CD1 3.97Å; Y74-L326 HydrophobicContact CE1-CD1 4.24Å; Y74-L326 HydrophobicContact CE2-CB 4.14Å; Y74-L326 HydrophobicContact CE2-CD1 3.55Å; Y74-L326 HydrophobicContact CE2-CG 4.48Å; Y74-L326 HydrophobicContact CG-CD1 4.48Å; Y74-W329 HydrophobicContact CD2-CD2 4.13Å; Y74-W329 AromaticContact CD2-CE3 3.5Å; Y74-W329 HydrophobicContact CD2-CE3 3.5Å; Y74-W329 AromaticContact CD2-CZ3 3.77Å; Y74-W329 HydrophobicContact CD2-CZ3 3.77Å; Y74-W329 HydrophobicContact CE2-CE3 4.26Å; Y74-W329 HydrophobicContact CG-CE3 4.15Å; Y74-W329 AromaticContact CG-CZ3 3.92Å; Y74-W329 HydrophobicContact CG-CZ3 3.92Å
75	R	98.7	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-43.2	175.3	-89.1	59.4	178.6	-97.1	1.7	111.3	A48 E50 R71 R72 L73 L77 L78 F79 T98 F109	A48-R75 PolarHBondContact O-NH2 3.26Å; E50-R75 PolarHBondContact O-NH2 3.31Å; E50-R75 IonicContact OE2-CZ 2.82Å; E50-R75 IonicContact OE2-NE 3.91Å; E50-R75 IonicContact OE2-NH2 3Å; E50-R75 PolarHBondContact OE2-NH2 3.43Å; R71-R75 VanDerWaalsContact O-CD 3.22Å; R71-R75 WeakPolarHBondContact O-CD 3.45Å; R71-R75 PolarHBondContact O-N 3.08Å; R72-R75 PolarHBondContact O-N 3.27Å; L73-R75 PolarHBondContact O-N 3.41Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.05Å; R75-L78 PolarHBondContact O-N 3.36Å; R75-F79 HydrophobicContact CB-CD2 4.41Å; R75-F79 HydrophobicContact CB-CE2 3.75Å; R75-F79 HydrophobicContact CB-CZ 3.94Å; R75-F79 HydrophobicContact CG-CE2 4.19Å; R75-F79 HydrophobicContact CG-CZ 3.93Å; R75-F79 WeakPolarHBondContact O-CD1 3.47Å; R75-F79 VanDerWaalsContact O-CD2 3.28Å; R75-F79 WeakPolarHBondContact O-CD2 3.43Å; R75-F79 WeakPolarHBondContact O-CG 3.41Å; R75-F79 PolarHBondContact O-N 3Å; R75-T98 HydrophobicContact CB-CG2 4.02Å; R75-T98 HydrophobicContact CG-CG2 3.74Å; R75-T98 PolarHBondContact NH1-OG1 2.94Å; R75-F109 HydrophobicContact CB-CE2 4.26Å; R75-F109 HydrophobicContact CB-CZ 4.36Å
76	Q	98.6	Very high	98.1	Very high	19 Å²	19	39.2 Å²	39.2	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-56.9	-47.2	174.6	-174.6	178	-73.9	0	0	111.4	R72 L73 L78 F79 T80 T103 D104 F109	R72-Q76 WeakPolarHBondContact O-CB 3.26Å; R72-Q76 PolarHBondContact O-N 3.28Å; L73-Q76 WeakPolarHBondContact O-CB 2.89Å; L73-Q76 PolarHBondContact O-N 2.82Å; Q76-L78 VanDerWaalsContact C-N 3.28Å; Q76-L78 PolarHBondContact O-N 2.85Å; Q76-F79 PolarHBondContact O-N 2.68Å; Q76-F79 VanDerWaalsContact O-N 3.09Å; Q76-T80 HydrophobicContact CG-CG2 3.67Å; Q76-T80 WeakPolarHBondContact O-CB 3.42Å; Q76-T80 WeakPolarHBondContact O-CG2 3.49Å; Q76-T80 PolarHBondContact O-N 2.96Å; Q76-T80 PolarHBondContact O-OG1 3.08Å; Q76-T103 HydrophobicContact CG-CG2 4.46Å; Q76-D104 PolarHBondContact NE2-OD2 3.06Å; Q76-D104 PolarHBondContact OE1-OD1 3.25Å; Q76-F109 HydrophobicContact CB-CE1 3.87Å; Q76-F109 HydrophobicContact CB-CZ 3.89Å; Q76-F109 HydrophobicContact CG-CE1 4.27Å
77	L	98.6	Very high	98.1	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.131	20%	0.204	C	C	.	.	H	α-helix	trans	-54.1	-45.8	179.3	-73.4	172.8	0	0	0	111.8	L73 Y74 R75 A81 W329 G336 C339 Q340	L73-L77 WeakPolarHBondContact O-CG 3.34Å; L73-L77 PolarHBondContact O-N 2.69Å; Y74-L77 PolarHBondContact O-N 2.89Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.05Å; L77-A81 PolarHBondContact O-N 3.43Å; L77-W329 HydrophobicContact CD1-CD2 4.13Å; L77-W329 HydrophobicContact CD1-CG 3.91Å; L77-G336 VanDerWaalsContact CD2-CA 3.5Å; L77-C339 HydrophobicContact CD1-CB 4.31Å; L77-Q340 VanDerWaalsContact O-CG 3.25Å; L77-Q340 WeakPolarHBondContact O-CG 3.45Å; L77-Q340 PolarHBondContact O-NE2 3.04Å
78	L	98.7	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-45.1	177.3	-60.2	177	0	0	0	111.6	L46 Y74 R75 Q76 Q322 A325 F343	L46-L78 HydrophobicContact CD2-CB 4.15Å; L46-L78 HydrophobicContact CD2-CD1 4.43Å; Y74-L78 HydrophobicContact CE1-CD1 3.99Å; Y74-L78 PolarHBondContact O-N 3.07Å; R75-L78 PolarHBondContact O-N 3.36Å; Q76-L78 VanDerWaalsContact C-N 3.28Å; Q76-L78 PolarHBondContact O-N 2.85Å; L78-Q322 HydrophobicContact CD1-CG 4.01Å; L78-A325 HydrophobicContact CD2-CB 4.35Å; L78-F343 HydrophobicContact CD2-CB 4.07Å; L78-F343 HydrophobicContact CD2-CD1 4.3Å; L78-F343 HydrophobicContact CD2-CD2 4.09Å; L78-F343 HydrophobicContact CD2-CG 3.89Å; L78-F343 WeakPolarHBondContact O-CE1 3.31Å
79	F	98.5	Very high	98.2	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	17%	0.166	C	C	.	.	H	α-helix	trans	-74.8	-29.6	-174	-55.4	-20.2	0	0	0	113	L46 A48 R75 Q76 V92 L94 T98 F109 Y112 L113 R116	L46-F79 HydrophobicContact CD2-CD1 4.15Å; L46-F79 HydrophobicContact CD2-CE1 3.93Å; A48-F79 HydrophobicContact CB-CE1 4.07Å; A48-F79 HydrophobicContact CB-CZ 4.15Å; R75-F79 HydrophobicContact CB-CD2 4.41Å; R75-F79 HydrophobicContact CB-CE2 3.75Å; R75-F79 HydrophobicContact CB-CZ 3.94Å; R75-F79 HydrophobicContact CG-CE2 4.19Å; R75-F79 HydrophobicContact CG-CZ 3.93Å; R75-F79 WeakPolarHBondContact O-CD1 3.47Å; R75-F79 VanDerWaalsContact O-CD2 3.28Å; R75-F79 WeakPolarHBondContact O-CD2 3.43Å; R75-F79 WeakPolarHBondContact O-CG 3.41Å; R75-F79 PolarHBondContact O-N 3Å; Q76-F79 PolarHBondContact O-N 2.68Å; Q76-F79 VanDerWaalsContact O-N 3.09Å; F79-V92 HydrophobicContact CD1-CG1 4.3Å; F79-V92 HydrophobicContact CE1-CG1 3.56Å; F79-V92 HydrophobicContact CZ-CG1 4.04Å; F79-L94 HydrophobicContact CE1-CD2 4.28Å; F79-L94 HydrophobicContact CE2-CD2 3.86Å; F79-L94 HydrophobicContact CZ-CD2 3.42Å; F79-L94 VanDerWaalsContact CZ-CD2 3.42Å; F79-T98 HydrophobicContact CE2-CG2 3.8Å; F79-T98 HydrophobicContact CZ-CG2 4.14Å; F79-F109 HydrophobicContact CD2-CB 4.19Å; F79-F109 AromaticContact CD2-CD1 3.49Å; F79-F109 HydrophobicContact CD2-CD1 3.49Å; F79-F109 VanDerWaalsContact CD2-CD1 3.49Å; F79-F109 HydrophobicContact CD2-CD2 4.38Å; F79-F109 AromaticContact CD2-CE1 3.84Å; F79-F109 HydrophobicContact CD2-CE1 3.84Å; F79-F109 AromaticContact CD2-CG 3.79Å; F79-F109 HydrophobicContact CD2-CG 3.79Å; F79-F109 HydrophobicContact CD2-CZ 4.42Å; F79-F109 HydrophobicContact CE2-CB 4.13Å; F79-F109 HydrophobicContact CE2-CD1 4.01Å; F79-F109 HydrophobicContact CE2-CD2 4.08Å; F79-F109 HydrophobicContact CE2-CE1 4.38Å; F79-F109 HydrophobicContact CE2-CE2 4.44Å; F79-F109 AromaticContact CE2-CG 3.83Å; F79-F109 HydrophobicContact CE2-CG 3.83Å; F79-Y112 HydrophobicContact CB-CD1 4.5Å; F79-Y112 WeakPolarHBondContact O-CE1 3.4Å; F79-L113 HydrophobicContact CB-CD2 4.08Å; F79-L113 HydrophobicContact CD1-CD2 4.19Å; F79-L113 HydrophobicContact CG-CD2 4.04Å; F79-R116 PolarHBondContact O-NH1 3.34Å
80	T	98	Very high	98.3	Very high	42 Å²	42	28.5 Å²	28.5	26%	0.258	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.7	-179.4	66.7	0	0	0	0	113.4	Q76 Y112 Q340	Q76-T80 HydrophobicContact CG-CG2 3.67Å; Q76-T80 WeakPolarHBondContact O-CB 3.42Å; Q76-T80 WeakPolarHBondContact O-CG2 3.49Å; Q76-T80 PolarHBondContact O-N 2.96Å; Q76-T80 PolarHBondContact O-OG1 3.08Å; T80-Y112 HydrophobicContact CG2-CE1 3.92Å; T80-Y112 HydrophobicContact CG2-CE2 4.36Å; T80-Q340 VanDerWaalsContact C-NE2 3.31Å; T80-Q340 PolarHBondContact O-NE2 3.19Å; T80-Q340 PolarHBondContact OG1-NE2 3.13Å; T80-Q340 VanDerWaalsContact OG1-NE2 3.1Å
81	A	98.1	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-57.5	146.7	169.2	0	0	0	0	0	110.2	L77 I85 R116 Q340 F343 I344	L77-A81 PolarHBondContact O-N 3.43Å; A81-I85 HydrophobicContact CB-CD1 4.23Å; A81-I85 HydrophobicContact CB-CG2 4.25Å; A81-R116 PolarHBondContact O-NH1 3.46Å; A81-R116 PolarHBondContact O-NH2 2.79Å; A81-Q340 HydrophobicContact CB-CB 4.09Å; A81-Q340 HydrophobicContact CB-CG 3.95Å; A81-F343 HydrophobicContact CB-CD1 3.68Å; A81-F343 HydrophobicContact CB-CE1 3.99Å; A81-I344 HydrophobicContact CB-CD1 4.11Å; A81-I344 HydrophobicContact CB-CG1 4.04Å
82	D	96.4	Very high	98.3	Very high	50 Å²	50	26.2 Å²	26.2	27%	0.267	14%	0.136	S	C	.	.			trans	-61.7	173	-167.6	67.6	56.2	0	0	0	114.8	R84 I85 R116 K337 I344	D82-R84 PolarHBondContact O-N 2.62Å; D82-R84 VanDerWaalsContact OD1-CB 3.25Å; D82-R84 WeakPolarHBondContact OD1-CB 3.29Å; D82-R84 VanDerWaalsContact OD1-CG 3.24Å; D82-R84 WeakPolarHBondContact OD1-CG 3.08Å; D82-R84 IonicContact OD1-CZ 2.76Å; D82-R84 PolarHBondContact OD1-N 2.77Å; D82-R84 IonicContact OD1-NE 3.61Å; D82-R84 PolarHBondContact OD1-NE 2.96Å; D82-R84 IonicContact OD1-NH2 3.38Å; D82-R84 IonicContact OD2-CZ 3.73Å; D82-R84 IonicContact OD2-NE 3.67Å; D82-R84 PolarHBondContact OD2-NE 2.89Å; D82-R84 IonicContact OD2-NH2 2.89Å; D82-R84 PolarHBondContact OD2-NH2 2.9Å; D82-I85 WeakPolarHBondContact O-CG1 3.43Å; D82-I85 PolarHBondContact O-N 3.21Å; D82-I85 VanDerWaalsContact O-N 3.15Å; D82-R116 VanDerWaalsContact C-NH2 3.34Å; D82-R116 PolarHBondContact O-NH2 2.73Å; D82-K337 IonicContact OD2-NZ 3.25Å; D82-I344 VanDerWaalsContact OD2-CD1 3.25Å; D82-I344 WeakPolarHBondContact OD2-CD1 3.27Å
83	D	97.7	Very high	98.4	Very high	117 Å²	117	24.8 Å²	24.8	63%	0.626	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-64.3	-7.3	-167.6	-67.2	-26.8	0	0	0	115.6	I85 V86 P87 R116	D83-I85 PolarHBondContact O-N 3.39Å; D83-I85 VanDerWaalsContact O-N 3.12Å; D83-V86 HydrophobicContact CB-CG2 4.32Å; D83-V86 WeakPolarHBondContact O-CB 3.43Å; D83-V86 PolarHBondContact O-N 3.02Å; D83-V86 VanDerWaalsContact O-N 3.08Å; D83-P87 WeakPolarHBondContact O-CD 3.26Å; D83-R116 IonicContact OD1-CZ 2.77Å; D83-R116 IonicContact OD1-NE 3.5Å; D83-R116 IonicContact OD1-NH2 3.65Å; D83-R116 PolarHBondContact OD1-NH2 3.22Å
84	R	98.3	Very high	98.4	Very high	113 Å²	113	23.4 Å²	23.4	43%	0.426	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-57.9	-23.5	169.9	-66.6	178.4	-71.9	170.8	1	112.6	D82 P87 C88 D341 I344	D82-R84 PolarHBondContact O-N 2.62Å; D82-R84 VanDerWaalsContact OD1-CB 3.25Å; D82-R84 WeakPolarHBondContact OD1-CB 3.29Å; D82-R84 VanDerWaalsContact OD1-CG 3.24Å; D82-R84 WeakPolarHBondContact OD1-CG 3.08Å; D82-R84 IonicContact OD1-CZ 2.76Å; D82-R84 PolarHBondContact OD1-N 2.77Å; D82-R84 IonicContact OD1-NE 3.61Å; D82-R84 PolarHBondContact OD1-NE 2.96Å; D82-R84 IonicContact OD1-NH2 3.38Å; D82-R84 IonicContact OD2-CZ 3.73Å; D82-R84 IonicContact OD2-NE 3.67Å; D82-R84 PolarHBondContact OD2-NE 2.89Å; D82-R84 IonicContact OD2-NH2 2.89Å; D82-R84 PolarHBondContact OD2-NH2 2.9Å; R84-P87 WeakPolarHBondContact O-CD 3.46Å; R84-C88 PolarHBondContact O-SG 2.99Å; R84-D341 IonicContact NH2-OD1 3.75Å; R84-D341 PolarHBondContact NH2-OD1 3.09Å; R84-I344 HydrophobicContact CB-CG2 3.85Å
85	I	98	Very high	98.4	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.015	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-81.9	-21	177.5	73.8	169	0	0	0	114	A81 D82 D83 C88 I89 M118 F343 I344 A347	A81-I85 HydrophobicContact CB-CD1 4.23Å; A81-I85 HydrophobicContact CB-CG2 4.25Å; D82-I85 WeakPolarHBondContact O-CG1 3.43Å; D82-I85 PolarHBondContact O-N 3.21Å; D82-I85 VanDerWaalsContact O-N 3.15Å; D83-I85 PolarHBondContact O-N 3.39Å; D83-I85 VanDerWaalsContact O-N 3.12Å; I85-C88 CarbonylContact O-C 3.22Å; I85-C88 WeakPolarHBondContact O-CA 3.41Å; I85-C88 WeakPolarHBondContact O-CB 3.48Å; I85-C88 PolarHBondContact O-N 3.36Å; I85-I89 HydrophobicContact CB-CG1 4.34Å; I85-I89 PolarHBondContact O-N 3.44Å; I85-M118 HydrophobicContact CD1-CE 3.72Å; I85-M118 HydrophobicContact CG1-CE 3.73Å; I85-F343 HydrophobicContact CB-CE1 4.43Å; I85-F343 HydrophobicContact CD1-CE1 3.79Å; I85-F343 HydrophobicContact CD1-CZ 4.39Å; I85-F343 HydrophobicContact CG2-CD1 4.26Å; I85-F343 HydrophobicContact CG2-CE1 3.81Å; I85-F343 HydrophobicContact CG2-CZ 4.46Å; I85-I344 HydrophobicContact CG2-CB 4.43Å; I85-I344 HydrophobicContact CG2-CG1 3.61Å; I85-A347 HydrophobicContact CG2-CB 4.32Å
86	V	98.1	Very high	98.4	Very high	41 Å²	41	29.7 Å²	29.7	25%	0.248	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-42.5	-175.8	175.2	0	0	0	0	113.2	K43 D83 C88 M118	K43-V86 PolarHBondContact NZ-O 2.97Å; D83-V86 HydrophobicContact CB-CG2 4.32Å; D83-V86 WeakPolarHBondContact O-CB 3.43Å; D83-V86 PolarHBondContact O-N 3.02Å; D83-V86 VanDerWaalsContact O-N 3.08Å; V86-C88 PolarHBondContact O-N 2.94Å; V86-M118 HydrophobicContact CG2-CE 4.34Å
87	P	98.1	Very high	98.4	Very high	74 Å²	74	30.5 Å²	30.5	48%	0.481	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.9	173	31.3	-36.8	0	0	0	113.5	K43 D83 R84	K43-P87 WeakPolarHBondContact CG-O 3.4Å; D83-P87 WeakPolarHBondContact O-CD 3.26Å; R84-P87 WeakPolarHBondContact O-CD 3.46Å
88	C	98.8	Very high	98.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-31.3	-177.3	-54.4	0	0	0	0	113	K43 G44 R84 I85 V86 F315 A347	K43-C88 CarbonylContact C-O 3.57Å; K43-C88 VanDerWaalsContact CA-O 3.28Å; K43-C88 WeakPolarHBondContact CA-O 3.35Å; G44-C88 PolarHBondContact N-O 2.92Å; R84-C88 PolarHBondContact O-SG 2.99Å; I85-C88 CarbonylContact O-C 3.22Å; I85-C88 WeakPolarHBondContact O-CA 3.41Å; I85-C88 WeakPolarHBondContact O-CB 3.48Å; I85-C88 PolarHBondContact O-N 3.36Å; V86-C88 PolarHBondContact O-N 2.94Å; C88-F315 WeakPolarHBondContact O-CZ 3.33Å; C88-A347 HydrophobicContact CB-CB 4.02Å
89	I	98.8	Very high	98.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116	-172.6	-53.2	-59.2	0	0	0	109.7	G44 L46 I85 G91 V92 M118 F315	G44-I89 CarbonylContact O-C 3.57Å; G44-I89 WeakPolarHBondContact O-CA 3.41Å; L46-I89 HydrophobicContact CB-CD1 4.42Å; L46-I89 HydrophobicContact CB-CG2 4.43Å; I85-I89 HydrophobicContact CB-CG1 4.34Å; I85-I89 PolarHBondContact O-N 3.44Å; I89-G91 VanDerWaalsContact CG2-O 3.27Å; I89-G91 WeakPolarHBondContact CG2-O 3.33Å; I89-V92 HydrophobicContact CG2-CG2 3.94Å; I89-M118 HydrophobicContact CB-CE 4.09Å; I89-M118 HydrophobicContact CB-SD 4.06Å; I89-M118 HydrophobicContact CG2-CE 4.49Å; I89-M118 HydrophobicContact CG2-CG 4.33Å; I89-M118 HydrophobicContact CG2-SD 3.81Å; I89-F315 HydrophobicContact CD1-CE2 4.08Å; I89-F315 HydrophobicContact CD1-CZ 4.48Å
90	G	98.8	Very high	98.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-30.9	174.4	0	0	0	0	0	112.4	G44 V119	G44-G90 PolarHBondContact O-N 3.08Å; G90-V119 WeakPolarHBondContact O-CG2 3.11Å; G90-V119 PolarHBondContact O-N 3.46Å
91	G	98.8	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	166.4	173.4	0	0	0	0	0	114.2	I45 L46 I89 V119	I45-G91 VanDerWaalsContact CA-O 3.29Å; I45-G91 WeakPolarHBondContact CA-O 3.42Å; L46-G91 PolarHBondContact N-O 3.36Å; L46-G91 VanDerWaalsContact N-O 3.09Å; I89-G91 VanDerWaalsContact CG2-O 3.27Å; I89-G91 WeakPolarHBondContact CG2-O 3.33Å; G91-V119 CarbonylContact C-O 3.53Å; G91-V119 WeakPolarHBondContact CA-O 3.37Å
92	V	98.9	Very high	98.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.2	179.2	-174.4	0	0	0	0	109.5	L46 A48 F79 I89 L94 L113 M118 V119 G121	L46-V92 HydrophobicContact CB-CG1 4.29Å; L46-V92 HydrophobicContact CB-CG2 4.3Å; L46-V92 HydrophobicContact CD2-CG1 4.14Å; L46-V92 HydrophobicContact CG-CG1 4.22Å; L46-V92 CarbonylContact O-C 3.52Å; L46-V92 WeakPolarHBondContact O-CA 3.33Å; A48-V92 HydrophobicContact CB-CG1 4.3Å; F79-V92 HydrophobicContact CD1-CG1 4.3Å; F79-V92 HydrophobicContact CE1-CG1 3.56Å; F79-V92 HydrophobicContact CZ-CG1 4.04Å; I89-V92 HydrophobicContact CG2-CG2 3.94Å; V92-L94 HydrophobicContact CB-CD2 4.49Å; V92-L94 HydrophobicContact CG1-CD2 3.69Å; V92-L113 HydrophobicContact CB-CD1 4Å; V92-L113 HydrophobicContact CB-CD2 4.5Å; V92-L113 HydrophobicContact CG1-CD1 4.34Å; V92-L113 HydrophobicContact CG2-CD1 4.21Å; V92-L113 HydrophobicContact CG2-CD2 3.81Å; V92-M118 HydrophobicContact CG2-SD 4.09Å; V92-V119 PolarHBondContact N-O 3.03Å; V92-G121 WeakPolarHBondContact O-CA 3.34Å; V92-G121 PolarHBondContact O-N 3.33Å
93	I	98.9	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122	173.3	-46.3	168.9	0	0	0	107.8	I45 L46 A47 A48 D49 K123 F160 K162 I201	I45-I93 HydrophobicContact CG2-CD1 3.85Å; I45-I93 HydrophobicContact CG2-CG1 3.63Å; L46-I93 PolarHBondContact O-N 3.47Å; A47-I93 HydrophobicContact CB-CD1 4.13Å; A48-I93 CarbonylContact C-O 3.51Å; A48-I93 VanDerWaalsContact CA-O 3.31Å; A48-I93 WeakPolarHBondContact CA-O 3.39Å; A48-I93 PolarHBondContact N-O 2.85Å; D49-I93 HydrophobicContact CB-CB 4.07Å; D49-I93 HydrophobicContact CB-CG2 3.57Å; D49-I93 PolarHBondContact N-O 3.4Å; I93-K123 HydrophobicContact CG2-CB 4.43Å; I93-F160 HydrophobicContact CD1-CE2 4.44Å; I93-F160 HydrophobicContact CG1-CE2 3.6Å; I93-F160 HydrophobicContact CG1-CZ 4.03Å; I93-K162 HydrophobicContact CD1-CB 4.18Å; I93-K162 HydrophobicContact CD1-CD 3.88Å; I93-K162 HydrophobicContact CD1-CG 4.04Å; I93-K162 HydrophobicContact CG2-CB 3.89Å; I93-K162 HydrophobicContact CG2-CD 4.37Å; I93-I201 HydrophobicContact CD1-CD1 4.42Å
94	L	98.9	Very high	98.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	156.3	178.6	-54.9	-176.7	0	0	0	111.1	F79 V92 T98 M99 P110 L113 V120 G121 I122 K123	F79-L94 HydrophobicContact CE1-CD2 4.28Å; F79-L94 HydrophobicContact CE2-CD2 3.86Å; F79-L94 HydrophobicContact CZ-CD2 3.42Å; F79-L94 VanDerWaalsContact CZ-CD2 3.42Å; V92-L94 HydrophobicContact CB-CD2 4.49Å; V92-L94 HydrophobicContact CG1-CD2 3.69Å; L94-T98 HydrophobicContact CD2-CG2 3.96Å; L94-M99 HydrophobicContact CD1-SD 4.16Å; L94-P110 HydrophobicContact CD1-CG 4.34Å; L94-L113 HydrophobicContact CD1-CD1 4.31Å; L94-L113 HydrophobicContact CD2-CD1 4.19Å; L94-V120 HydrophobicContact CD1-CG1 3.85Å; L94-V120 HydrophobicContact CG-CG1 4.49Å; L94-G121 WeakPolarHBondContact CB-O 3.4Å; L94-G121 PolarHBondContact N-O 2.88Å; L94-I122 WeakPolarHBondContact O-CD1 3.34Å; L94-K123 PolarHBondContact O-N 3.48Å
95	F	98.7	Very high	98.5	Very high	44 Å²	44	34.9 Å²	34.9	19%	0.193	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-86	160	161.2	-172.4	-118.4	0	0	0	110	E97 T98 M99	F95-E97 VanDerWaalsContact C-N 3.3Å; F95-E97 HydrophobicContact CD1-CB 3.83Å; F95-E97 HydrophobicContact CE1-CB 4.23Å; F95-E97 PolarHBondContact O-N 3.31Å; F95-T98 PolarHBondContact O-N 3.41Å; F95-M99 PolarHBondContact O-N 3.15Å
96	H	98.6	Very high	98.4	Very high	89 Å²	89	36.7 Å²	36.7	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-54.2	-43.9	-178.5	179.4	68.1	0	0	0	112.9	T98 M99 Y100 Y153	H96-T98 VanDerWaalsContact C-N 3.34Å; H96-T98 PolarHBondContact O-N 3.37Å; H96-M99 WeakPolarHBondContact O-CB 3.12Å; H96-M99 PolarHBondContact O-N 2.96Å; H96-Y100 AromaticContact CE1-CD2 3.98Å; H96-Y100 AromaticContact CE1-CE2 3.33Å; H96-Y100 WeakPolarHBondContact CE1-CE2 3.45Å; H96-Y100 AromaticContact ND1-CE2 3.51Å; H96-Y100 VanDerWaalsContact O-CD2 3.25Å; H96-Y100 WeakPolarHBondContact O-CD2 3.34Å; H96-Y153 AromaticContact ND1-CE1 3.55Å; H96-Y153 AromaticContact ND1-CZ 3.69Å; H96-Y153 PolarHBondContact ND1-OH 2.84Å
97	E	98.6	Very high	98.4	Very high	35 Å²	35	38 Å²	38	16%	0.164	20%	0.195	C	C	.	.	H	α-helix	trans	-55.9	-48.7	175.5	-175.7	-172.9	78.3	0	0	111.4	R71 F95 M99 Y100 Q101	R71-E97 WeakPolarHBondContact CD-OE1 3.28Å; R71-E97 IonicContact CZ-OE1 3.33Å; R71-E97 IonicContact CZ-OE2 3.35Å; R71-E97 VanDerWaalsContact CZ-OE2 3.29Å; R71-E97 VanDerWaalsContact NE-CD 3.33Å; R71-E97 IonicContact NE-OE1 3.24Å; R71-E97 PolarHBondContact NE-OE1 2.9Å; R71-E97 IonicContact NE-OE2 2.65Å; R71-E97 PolarHBondContact NE-OE2 2.85Å; R71-E97 VanDerWaalsContact NE-OE2 3.07Å; R71-E97 IonicContact NH2-OE1 2.69Å; R71-E97 IonicContact NH2-OE2 3.07Å; R71-E97 PolarHBondContact NH2-OE2 3.34Å; F95-E97 VanDerWaalsContact C-N 3.3Å; F95-E97 HydrophobicContact CD1-CB 3.83Å; F95-E97 HydrophobicContact CE1-CB 4.23Å; F95-E97 PolarHBondContact O-N 3.31Å; E97-M99 VanDerWaalsContact C-N 3.31Å; E97-M99 PolarHBondContact O-N 2.88Å; E97-Y100 PolarHBondContact O-N 3.2Å; E97-Q101 HydrophobicContact CG-CG 4.48Å; E97-Q101 WeakPolarHBondContact O-CG 3.25Å; E97-Q101 PolarHBondContact O-N 2.44Å; E97-Q101 PolarHBondContact OE1-NE2 3.48Å
98	T	98.8	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-28.6	-178.1	-49.5	0	0	0	0	112.7	R75 F79 L94 F95 H96 Y100 Q101 F109	R75-T98 HydrophobicContact CB-CG2 4.02Å; R75-T98 HydrophobicContact CG-CG2 3.74Å; R75-T98 PolarHBondContact NH1-OG1 2.94Å; F79-T98 HydrophobicContact CE2-CG2 3.8Å; F79-T98 HydrophobicContact CZ-CG2 4.14Å; L94-T98 HydrophobicContact CD2-CG2 3.96Å; F95-T98 PolarHBondContact O-N 3.41Å; H96-T98 VanDerWaalsContact C-N 3.34Å; H96-T98 PolarHBondContact O-N 3.37Å; T98-Y100 PolarHBondContact O-N 2.87Å; T98-Q101 PolarHBondContact O-N 3.4Å; T98-F109 HydrophobicContact CG2-CD2 3.51Å; T98-F109 HydrophobicContact CG2-CE2 3.91Å; T98-F109 HydrophobicContact CG2-CG 4.37Å; T98-F109 WeakPolarHBondContact O-CD2 3.45Å
99	M	98.4	Very high	98.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-31.6	175.4	-170	69.9	-170	0	0	112.5	L94 F95 H96 E97 P110 V120 I122 Y153 D156 A158	L94-M99 HydrophobicContact CD1-SD 4.16Å; F95-M99 PolarHBondContact O-N 3.15Å; H96-M99 WeakPolarHBondContact O-CB 3.12Å; H96-M99 PolarHBondContact O-N 2.96Å; E97-M99 VanDerWaalsContact C-N 3.31Å; E97-M99 PolarHBondContact O-N 2.88Å; M99-P110 HydrophobicContact CE-CB 4.21Å; M99-P110 HydrophobicContact CE-CG 3.66Å; M99-P110 HydrophobicContact CG-CG 4.4Å; M99-P110 WeakPolarHBondContact O-CD 3.45Å; M99-P110 WeakPolarHBondContact O-CG 3.13Å; M99-P110 HydrophobicContact SD-CG 3.6Å; M99-V120 HydrophobicContact CE-CG1 4.4Å; M99-V120 HydrophobicContact SD-CG1 4.08Å; M99-I122 HydrophobicContact CB-CD1 4.4Å; M99-Y153 HydrophobicContact CG-CD1 4.38Å; M99-D156 VanDerWaalsContact CE-C 3.46Å; M99-D156 HydrophobicContact CE-CB 3.65Å; M99-D156 WeakPolarHBondContact CE-O 3.38Å; M99-A158 HydrophobicContact CE-CB 3.97Å; M99-A158 HydrophobicContact SD-CB 4.5Å
100	Y	98.6	Very high	98.5	Very high	104 Å²	104	36.2 Å²	36.2	41%	0.408	18%	0.183	S	C	.	.	H	α-helix	trans	-111.2	2.6	-176.1	-57.1	-73.7	0	0	0	113.9	H96 E97 T98 Y153 D156	H96-Y100 AromaticContact CE1-CD2 3.98Å; H96-Y100 AromaticContact CE1-CE2 3.33Å; H96-Y100 WeakPolarHBondContact CE1-CE2 3.45Å; H96-Y100 AromaticContact ND1-CE2 3.51Å; H96-Y100 VanDerWaalsContact O-CD2 3.25Å; H96-Y100 WeakPolarHBondContact O-CD2 3.34Å; E97-Y100 PolarHBondContact O-N 3.2Å; T98-Y100 PolarHBondContact O-N 2.87Å; Y100-Y153 HydrophobicContact CE2-CE1 4.31Å; Y100-D156 HydrophobicContact CE1-CB 4.26Å; Y100-D156 VanDerWaalsContact CE1-OD2 3.28Å; Y100-D156 WeakPolarHBondContact CE1-OD2 3.34Å; Y100-D156 PolarHBondContact OH-OD2 2.78Å
101	Q	98.8	Very high	98.5	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.047	21%	0.206	C	C	.	.			trans	-78.4	162.5	171.6	-82.3	174.3	-17.4	0	0	111.7	R72 E97 T98 F109	R72-Q101 HydrophobicContact CB-CG 4.44Å; R72-Q101 HydrophobicContact CG-CB 4.12Å; R72-Q101 HydrophobicContact CG-CG 4.17Å; E97-Q101 HydrophobicContact CG-CG 4.48Å; E97-Q101 WeakPolarHBondContact O-CG 3.25Å; E97-Q101 PolarHBondContact O-N 2.44Å; E97-Q101 PolarHBondContact OE1-NE2 3.48Å; T98-Q101 PolarHBondContact O-N 3.4Å; Q101-F109 HydrophobicContact CB-CD2 3.66Å; Q101-F109 HydrophobicContact CB-CE2 3.49Å; Q101-F109 VanDerWaalsContact CB-CE2 3.49Å; Q101-F109 PolarHBondContact O-N 3.29Å; Q101-F109 VanDerWaalsContact O-N 3.15Å
102	K	98.8	Very high	98.4	Very high	114 Å²	114	43 Å²	43	50%	0.496	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-123.3	152.8	-177.4	-64.9	177.7	175.5	-171.4	0	112.1	R72 G106 K107 T108	R72-K102 WeakPolarHBondContact CD-O 3.28Å; R72-K102 PolarHBondContact NH1-O 2.69Å; K102-G106 WeakPolarHBondContact CD-O 3.47Å; K102-K107 CarbonylContact C-O 3.55Å; K102-K107 WeakPolarHBondContact CA-O 3.19Å; K102-K107 WeakPolarHBondContact CB-O 3.45Å; K102-T108 HydrophobicContact CG-CG2 4.34Å
103	T	98.3	Very high	98.4	Very high	8 Å²	8	43 Å²	43	5%	0.049	21%	0.213	C	C	.	.			trans	-69.5	166	164.9	45.1	0	0	0	0	111	Q76 D105 G106 K107 F109 Y112	Q76-T103 HydrophobicContact CG-CG2 4.46Å; T103-D105 WeakPolarHBondContact CB-OD1 3.34Å; T103-D105 PolarHBondContact O-N 2.87Å; T103-D105 PolarHBondContact OG1-OD1 2.66Å; T103-G106 PolarHBondContact O-N 3.01Å; T103-K107 PolarHBondContact N-O 3.26Å; T103-K107 WeakPolarHBondContact OG1-CB 3.39Å; T103-K107 PolarHBondContact OG1-N 3.09Å; T103-K107 PolarHBondContact OG1-O 3.42Å; T103-F109 HydrophobicContact CG2-CD1 3.72Å; T103-F109 HydrophobicContact CG2-CE1 3.62Å; T103-Y112 HydrophobicContact CG2-CD2 4.11Å; T103-Y112 HydrophobicContact CG2-CG 4.08Å
104	D	97.9	Very high	98.4	Very high	101 Å²	101	47 Å²	47	54%	0.54	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.4	176.6	-65.4	-16.7	0	0	0	112.7	R72 Q76 G106	R72-D104 IonicContact CZ-OD1 3.83Å; R72-D104 VanDerWaalsContact CZ-OD1 3.28Å; R72-D104 IonicContact NH1-OD1 3.45Å; R72-D104 PolarHBondContact NH1-OD1 3.19Å; R72-D104 IonicContact NH2-OD1 2.79Å; R72-D104 PolarHBondContact NH2-OD1 2.82Å; Q76-D104 PolarHBondContact NE2-OD2 3.06Å; Q76-D104 PolarHBondContact OE1-OD1 3.25Å; D104-G106 VanDerWaalsContact C-N 3.29Å
105	D	96	Very high	98.4	Very high	102 Å²	102	52.8 Å²	52.8	55%	0.545	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	5.2	174.2	71.4	-11.5	0	0	0	113.6	T103	T103-D105 WeakPolarHBondContact CB-OD1 3.34Å; T103-D105 PolarHBondContact O-N 2.87Å; T103-D105 PolarHBondContact OG1-OD1 2.66Å
106	G	97.8	Very high	98.3	Very high	41 Å²	41	52 Å²	52	42%	0.423	25%	0.253	S	S	.	.	S	Bend	trans	86.5	0.1	171.2	0	0	0	0	0	116	K102 T103 D104	K102-G106 WeakPolarHBondContact CD-O 3.47Å; T103-G106 PolarHBondContact O-N 3.01Å; D104-G106 VanDerWaalsContact C-N 3.29Å
107	K	98	Very high	98.3	Very high	68 Å²	68	49.2 Å²	49.2	30%	0.296	25%	0.249	S	C	.	.			trans	-73.6	145.6	173.7	-65.5	-179.3	177.6	-175.3	0	110.8	K102 T103 Y112 E115	K102-K107 CarbonylContact C-O 3.55Å; K102-K107 WeakPolarHBondContact CA-O 3.19Å; K102-K107 WeakPolarHBondContact CB-O 3.45Å; T103-K107 PolarHBondContact N-O 3.26Å; T103-K107 WeakPolarHBondContact OG1-CB 3.39Å; T103-K107 PolarHBondContact OG1-N 3.09Å; T103-K107 PolarHBondContact OG1-O 3.42Å; K107-Y112 HydrophobicContact CD-CD2 4.41Å; K107-E115 VanDerWaalsContact NZ-CD 3.28Å; K107-E115 IonicContact NZ-OE1 2.66Å; K107-E115 PolarHBondContact NZ-OE1 3.07Å; K107-E115 VanDerWaalsContact NZ-OE1 3.13Å; K107-E115 IonicContact NZ-OE2 3Å; K107-E115 PolarHBondContact NZ-OE2 3.43Å
108	T	98.6	Very high	98.3	Very high	36 Å²	36	47.7 Å²	47.7	22%	0.221	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-69.9	149	169.5	69.7	0	0	0	0	109.6	K102 P110 Q111 Y112	K102-T108 HydrophobicContact CG-CG2 4.34Å; T108-P110 VanDerWaalsContact C-N 3.31Å; T108-Q111 WeakPolarHBondContact O-CB 3.47Å; T108-Q111 PolarHBondContact O-N 2.82Å; T108-Q111 VanDerWaalsContact O-N 3.08Å; T108-Q111 VanDerWaalsContact OG1-CG 3.26Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.34Å; T108-Q111 PolarHBondContact OG1-N 3.25Å; T108-Q111 PolarHBondContact OG1-OE1 3Å; T108-Y112 PolarHBondContact O-N 3.41Å
109	F	98.8	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-39.1	176.9	-70.9	-48.1	0	0	0	113.4	R72 R75 Q76 F79 T98 Q101 T103 Q111 Y112 L113	R72-F109 HydrophobicContact CG-CE2 4.1Å; R72-F109 HydrophobicContact CG-CZ 4.06Å; R75-F109 HydrophobicContact CB-CE2 4.26Å; R75-F109 HydrophobicContact CB-CZ 4.36Å; Q76-F109 HydrophobicContact CB-CE1 3.87Å; Q76-F109 HydrophobicContact CB-CZ 3.89Å; Q76-F109 HydrophobicContact CG-CE1 4.27Å; F79-F109 HydrophobicContact CD2-CB 4.19Å; F79-F109 AromaticContact CD2-CD1 3.49Å; F79-F109 HydrophobicContact CD2-CD1 3.49Å; F79-F109 VanDerWaalsContact CD2-CD1 3.49Å; F79-F109 HydrophobicContact CD2-CD2 4.38Å; F79-F109 AromaticContact CD2-CE1 3.84Å; F79-F109 HydrophobicContact CD2-CE1 3.84Å; F79-F109 AromaticContact CD2-CG 3.79Å; F79-F109 HydrophobicContact CD2-CG 3.79Å; F79-F109 HydrophobicContact CD2-CZ 4.42Å; F79-F109 HydrophobicContact CE2-CB 4.13Å; F79-F109 HydrophobicContact CE2-CD1 4.01Å; F79-F109 HydrophobicContact CE2-CD2 4.08Å; F79-F109 HydrophobicContact CE2-CE1 4.38Å; F79-F109 HydrophobicContact CE2-CE2 4.44Å; F79-F109 AromaticContact CE2-CG 3.83Å; F79-F109 HydrophobicContact CE2-CG 3.83Å; T98-F109 HydrophobicContact CG2-CD2 3.51Å; T98-F109 HydrophobicContact CG2-CE2 3.91Å; T98-F109 HydrophobicContact CG2-CG 4.37Å; T98-F109 WeakPolarHBondContact O-CD2 3.45Å; Q101-F109 HydrophobicContact CB-CD2 3.66Å; Q101-F109 HydrophobicContact CB-CE2 3.49Å; Q101-F109 VanDerWaalsContact CB-CE2 3.49Å; Q101-F109 PolarHBondContact O-N 3.29Å; Q101-F109 VanDerWaalsContact O-N 3.15Å; T103-F109 HydrophobicContact CG2-CD1 3.72Å; T103-F109 HydrophobicContact CG2-CE1 3.62Å; F109-Q111 PolarHBondContact O-N 2.95Å; F109-Y112 PolarHBondContact O-N 2.66Å; F109-L113 WeakPolarHBondContact O-CB 3.4Å; F109-L113 VanDerWaalsContact O-CG 3.25Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.75Å
110	P	98.8	Very high	98.3	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-44.3	172.2	-29	37.1	0	0	0	114	L94 M99 T108 K114 V120	L94-P110 HydrophobicContact CD1-CG 4.34Å; M99-P110 HydrophobicContact CE-CB 4.21Å; M99-P110 HydrophobicContact CE-CG 3.66Å; M99-P110 HydrophobicContact CG-CG 4.4Å; M99-P110 WeakPolarHBondContact O-CD 3.45Å; M99-P110 WeakPolarHBondContact O-CG 3.13Å; M99-P110 HydrophobicContact SD-CG 3.6Å; T108-P110 VanDerWaalsContact C-N 3.31Å; P110-K114 WeakPolarHBondContact O-CB 3.36Å; P110-K114 WeakPolarHBondContact O-CG 3.26Å; P110-K114 PolarHBondContact O-N 2.85Å; P110-K114 VanDerWaalsContact O-N 3.07Å; P110-V120 HydrophobicContact CB-CG1 4.11Å; P110-V120 HydrophobicContact CB-CG2 4.15Å; P110-V120 HydrophobicContact CG-CG1 4.24Å
111	Q	98.6	Very high	98.3	Very high	103 Å²	103	42.9 Å²	42.9	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-61.4	-50.8	177.1	-74.7	170.1	-15.8	0	0	110.8	T108 F109 L113 K114 E115	T108-Q111 WeakPolarHBondContact O-CB 3.47Å; T108-Q111 PolarHBondContact O-N 2.82Å; T108-Q111 VanDerWaalsContact O-N 3.08Å; T108-Q111 VanDerWaalsContact OG1-CG 3.26Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.34Å; T108-Q111 PolarHBondContact OG1-N 3.25Å; T108-Q111 PolarHBondContact OG1-OE1 3Å; F109-Q111 PolarHBondContact O-N 2.95Å; Q111-L113 PolarHBondContact O-N 3.2Å; Q111-K114 PolarHBondContact O-N 2.98Å; Q111-E115 WeakPolarHBondContact O-CG 3.25Å; Q111-E115 PolarHBondContact O-N 3.18Å
112	Y	98.6	Very high	98.3	Very high	41 Å²	41	42.4 Å²	42.4	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-46	-178.9	-174.5	-89.2	0	0	0	112.2	F79 T80 T103 K107 T108 F109 K114 E115 R116	F79-Y112 HydrophobicContact CB-CD1 4.5Å; F79-Y112 WeakPolarHBondContact O-CE1 3.4Å; T80-Y112 HydrophobicContact CG2-CE1 3.92Å; T80-Y112 HydrophobicContact CG2-CE2 4.36Å; T103-Y112 HydrophobicContact CG2-CD2 4.11Å; T103-Y112 HydrophobicContact CG2-CG 4.08Å; K107-Y112 HydrophobicContact CD-CD2 4.41Å; T108-Y112 PolarHBondContact O-N 3.41Å; F109-Y112 PolarHBondContact O-N 2.66Å; Y112-K114 PolarHBondContact O-N 2.64Å; Y112-E115 PolarHBondContact O-N 3.06Å; Y112-R116 VanDerWaalsContact CE1-CD 3.42Å; Y112-R116 HydrophobicContact CE1-CG 4.29Å; Y112-R116 WeakPolarHBondContact O-CG 3.31Å; Y112-R116 PolarHBondContact O-N 3.48Å
113	L	98.7	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-39.7	178.6	-71	169.6	0	0	0	112.4	F79 V92 L94 F109 Q111 R116 G117 M118 V120	F79-L113 HydrophobicContact CB-CD2 4.08Å; F79-L113 HydrophobicContact CD1-CD2 4.19Å; F79-L113 HydrophobicContact CG-CD2 4.04Å; V92-L113 HydrophobicContact CB-CD1 4Å; V92-L113 HydrophobicContact CB-CD2 4.5Å; V92-L113 HydrophobicContact CG1-CD1 4.34Å; V92-L113 HydrophobicContact CG2-CD1 4.21Å; V92-L113 HydrophobicContact CG2-CD2 3.81Å; L94-L113 HydrophobicContact CD1-CD1 4.31Å; L94-L113 HydrophobicContact CD2-CD1 4.19Å; F109-L113 WeakPolarHBondContact O-CB 3.4Å; F109-L113 VanDerWaalsContact O-CG 3.25Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.75Å; Q111-L113 PolarHBondContact O-N 3.2Å; L113-R116 CarbonylContact O-C 3.57Å; L113-R116 PolarHBondContact O-N 3.31Å; L113-G117 PolarHBondContact O-N 2.76Å; L113-M118 HydrophobicContact CB-CB 4.44Å; L113-M118 HydrophobicContact CD2-SD 3.9Å; L113-M118 PolarHBondContact O-N 3.06Å; L113-V120 HydrophobicContact CB-CG2 3.9Å; L113-V120 HydrophobicContact CD1-CG2 4.28Å
114	K	98.6	Very high	98.4	Very high	85 Å²	85	37.3 Å²	37.3	37%	0.37	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-40.9	177.5	-77.9	-171.6	172.6	-165.4	0	112.6	P110 Q111 Y112 R116 G117 V120 G157 D159	P110-K114 WeakPolarHBondContact O-CB 3.36Å; P110-K114 WeakPolarHBondContact O-CG 3.26Å; P110-K114 PolarHBondContact O-N 2.85Å; P110-K114 VanDerWaalsContact O-N 3.07Å; Q111-K114 PolarHBondContact O-N 2.98Å; Y112-K114 PolarHBondContact O-N 2.64Å; K114-R116 PolarHBondContact O-N 2.88Å; K114-G117 WeakPolarHBondContact O-CA 3.29Å; K114-G117 PolarHBondContact O-N 2.89Å; K114-V120 HydrophobicContact CG-CG2 3.96Å; K114-G157 WeakPolarHBondContact CE-O 3.41Å; K114-G157 PolarHBondContact NZ-O 3.23Å; K114-D159 VanDerWaalsContact CE-OD2 3.26Å; K114-D159 WeakPolarHBondContact CE-OD2 3.24Å; K114-D159 IonicContact NZ-OD2 3.78Å; K114-D159 PolarHBondContact NZ-OD2 3.39Å
115	E	97.9	Very high	98.4	Very high	120 Å²	120	33 Å²	33	56%	0.561	18%	0.175	S	C	*	.	H	α-helix	trans	-59.5	-30.9	174.2	-72.1	174.8	178.7	0	0	112	K107 Q111 Y112 G117	K107-E115 VanDerWaalsContact NZ-CD 3.28Å; K107-E115 IonicContact NZ-OE1 2.66Å; K107-E115 PolarHBondContact NZ-OE1 3.07Å; K107-E115 VanDerWaalsContact NZ-OE1 3.13Å; K107-E115 IonicContact NZ-OE2 3Å; K107-E115 PolarHBondContact NZ-OE2 3.43Å; Q111-E115 WeakPolarHBondContact O-CG 3.25Å; Q111-E115 PolarHBondContact O-N 3.18Å; Y112-E115 PolarHBondContact O-N 3.06Å; E115-G117 VanDerWaalsContact C-N 3.26Å; E115-G117 PolarHBondContact O-N 3.22Å
116	R	97.6	Very high	98.5	Very high	29 Å²	29	33.4 Å²	33.4	11%	0.109	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	7.3	174.2	-60.6	-168.7	73.1	-166.6	6.7	114.3	F79 A81 D82 D83 Y112 L113 K114 M118	F79-R116 PolarHBondContact O-NH1 3.34Å; A81-R116 PolarHBondContact O-NH1 3.46Å; A81-R116 PolarHBondContact O-NH2 2.79Å; D82-R116 VanDerWaalsContact C-NH2 3.34Å; D82-R116 PolarHBondContact O-NH2 2.73Å; D83-R116 IonicContact OD1-CZ 2.77Å; D83-R116 IonicContact OD1-NE 3.5Å; D83-R116 IonicContact OD1-NH2 3.65Å; D83-R116 PolarHBondContact OD1-NH2 3.22Å; Y112-R116 VanDerWaalsContact CE1-CD 3.42Å; Y112-R116 HydrophobicContact CE1-CG 4.29Å; Y112-R116 WeakPolarHBondContact O-CG 3.31Å; Y112-R116 PolarHBondContact O-N 3.48Å; L113-R116 CarbonylContact O-C 3.57Å; L113-R116 PolarHBondContact O-N 3.31Å; K114-R116 PolarHBondContact O-N 2.88Å; R116-M118 VanDerWaalsContact C-N 3.3Å; R116-M118 HydrophobicContact CB-CE 4.48Å; R116-M118 PolarHBondContact O-N 3.4Å
117	G	97.9	Very high	98.4	Very high	30 Å²	30	32 Å²	32	31%	0.309	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	8.1	177.1	0	0	0	0	0	115.2	K37 L113 K114 E115	K37-G117 VanDerWaalsContact CE-O 3.28Å; K37-G117 WeakPolarHBondContact CE-O 3.41Å; L113-G117 PolarHBondContact O-N 2.76Å; K114-G117 WeakPolarHBondContact O-CA 3.29Å; K114-G117 PolarHBondContact O-N 2.89Å; E115-G117 VanDerWaalsContact C-N 3.26Å; E115-G117 PolarHBondContact O-N 3.22Å
118	M	98.6	Very high	98.4	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-87	141.7	177.6	-59.7	176.2	-166.4	0	0	110.5	I85 V86 I89 V92 L113 R116	I85-M118 HydrophobicContact CD1-CE 3.72Å; I85-M118 HydrophobicContact CG1-CE 3.73Å; V86-M118 HydrophobicContact CG2-CE 4.34Å; I89-M118 HydrophobicContact CB-CE 4.09Å; I89-M118 HydrophobicContact CB-SD 4.06Å; I89-M118 HydrophobicContact CG2-CE 4.49Å; I89-M118 HydrophobicContact CG2-CG 4.33Å; I89-M118 HydrophobicContact CG2-SD 3.81Å; V92-M118 HydrophobicContact CG2-SD 4.09Å; L113-M118 HydrophobicContact CB-CB 4.44Å; L113-M118 HydrophobicContact CD2-SD 3.9Å; L113-M118 PolarHBondContact O-N 3.06Å; R116-M118 VanDerWaalsContact C-N 3.3Å; R116-M118 HydrophobicContact CB-CE 4.48Å; R116-M118 PolarHBondContact O-N 3.4Å
119	V	98.9	Very high	98.4	Very high	6 Å²	6	31 Å²	31	4%	0.036	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.4	172.7	-168.7	0	0	0	0	108.8	I34 K37 I38 G90 G91 V92 D159 F160	I34-V119 HydrophobicContact CG2-CG1 4.02Å; K37-V119 HydrophobicContact CB-CG2 4.3Å; K37-V119 HydrophobicContact CD-CG2 3.67Å; K37-V119 HydrophobicContact CG-CG2 3.82Å; I38-V119 HydrophobicContact CD1-CG1 4.27Å; I38-V119 HydrophobicContact CG1-CB 3.88Å; I38-V119 HydrophobicContact CG1-CG1 4.13Å; I38-V119 HydrophobicContact CG1-CG2 3.87Å; G90-V119 WeakPolarHBondContact O-CG2 3.11Å; G90-V119 PolarHBondContact O-N 3.46Å; G91-V119 CarbonylContact C-O 3.53Å; G91-V119 WeakPolarHBondContact CA-O 3.37Å; V92-V119 PolarHBondContact N-O 3.03Å; V119-D159 HydrophobicContact CG1-CB 3.63Å; V119-F160 HydrophobicContact CB-CD1 4.21Å; V119-F160 HydrophobicContact CB-CE1 4.09Å; V119-F160 HydrophobicContact CG1-CD1 3.6Å; V119-F160 HydrophobicContact CG1-CE1 3.97Å; V119-F160 WeakPolarHBondContact O-CE1 3.49Å
120	V	98.9	Very high	98.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.5	179	177.5	0	0	0	0	109.3	L94 M99 P110 L113 K114 A158 D159 F160	L94-V120 HydrophobicContact CD1-CG1 3.85Å; L94-V120 HydrophobicContact CG-CG1 4.49Å; M99-V120 HydrophobicContact CE-CG1 4.4Å; M99-V120 HydrophobicContact SD-CG1 4.08Å; P110-V120 HydrophobicContact CB-CG1 4.11Å; P110-V120 HydrophobicContact CB-CG2 4.15Å; P110-V120 HydrophobicContact CG-CG1 4.24Å; L113-V120 HydrophobicContact CB-CG2 3.9Å; L113-V120 HydrophobicContact CD1-CG2 4.28Å; K114-V120 HydrophobicContact CG-CG2 3.96Å; V120-A158 WeakPolarHBondContact O-CA 3.45Å; V120-D159 PolarHBondContact O-N 2.81Å; V120-F160 VanDerWaalsContact C-CD1 3.49Å; V120-F160 VanDerWaalsContact O-CD1 3.24Å; V120-F160 WeakPolarHBondContact O-CD1 3.02Å; V120-F160 PolarHBondContact O-N 3.17Å
121	G	98.9	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.2	178.5	0	0	0	0	0	112.5	V92 L94 F160	V92-G121 WeakPolarHBondContact O-CA 3.34Å; V92-G121 PolarHBondContact O-N 3.33Å; L94-G121 WeakPolarHBondContact CB-O 3.4Å; L94-G121 PolarHBondContact N-O 2.88Å; G121-F160 CarbonylContact C-O 3.54Å; G121-F160 VanDerWaalsContact CA-CD1 3.41Å; G121-F160 WeakPolarHBondContact CA-O 3.28Å
122	I	98.9	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.8	-177.5	-179	62	0	0	0	111.5	L94 M99 V124 Y153 A158 F160 A161 K162	L94-I122 WeakPolarHBondContact O-CD1 3.34Å; M99-I122 HydrophobicContact CB-CD1 4.4Å; I122-V124 HydrophobicContact CB-CG1 4.49Å; I122-V124 HydrophobicContact CG1-CG1 4.12Å; I122-V124 HydrophobicContact CG2-CG1 3.81Å; I122-V124 PolarHBondContact O-N 3.38Å; I122-Y153 HydrophobicContact CD1-CE1 4.21Å; I122-Y153 HydrophobicContact CG1-CD1 4.03Å; I122-Y153 HydrophobicContact CG1-CD2 3.95Å; I122-Y153 HydrophobicContact CG1-CE1 3.96Å; I122-Y153 HydrophobicContact CG1-CE2 3.86Å; I122-Y153 HydrophobicContact CG1-CG 4.05Å; I122-Y153 HydrophobicContact CG2-CD2 3.95Å; I122-Y153 HydrophobicContact CG2-CG 4Å; I122-A158 HydrophobicContact CB-CB 4.23Å; I122-A158 HydrophobicContact CG2-CB 3.74Å; I122-F160 PolarHBondContact N-O 3.31Å; I122-A161 HydrophobicContact CG2-CB 4.24Å; I122-A161 CarbonylContact O-C 3.58Å; I122-A161 WeakPolarHBondContact O-CA 3.1Å; I122-A161 WeakPolarHBondContact O-CB 3.19Å; I122-K162 PolarHBondContact O-N 3.23Å
123	K	98.8	Very high	98.2	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.1	166.8	178.1	-176.3	-174.5	-75	0	109.5	D49 I93 L94 D125	D49-K123 HydrophobicContact CB-CB 3.77Å; D49-K123 HydrophobicContact CB-CD 4.36Å; D49-K123 WeakPolarHBondContact OD2-CD 3.47Å; I93-K123 HydrophobicContact CG2-CB 4.43Å; L94-K123 PolarHBondContact O-N 3.48Å; K123-D125 WeakPolarHBondContact CE-OD1 3.09Å; K123-D125 WeakPolarHBondContact CE-OD2 3.36Å; K123-D125 PolarHBondContact NZ-O 3.19Å; K123-D125 IonicContact NZ-OD1 3.07Å; K123-D125 PolarHBondContact NZ-OD1 3.05Å; K123-D125 IonicContact NZ-OD2 3.61Å; K123-D125 PolarHBondContact NZ-OD2 3.31Å
124	V	98.8	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.26	C	S	.	.			trans	-114.9	-14.7	-174.9	-59.8	0	0	0	0	114.6	I122 L146 R149 Y153 A161 K162 W163 Y189	I122-V124 HydrophobicContact CB-CG1 4.49Å; I122-V124 HydrophobicContact CG1-CG1 4.12Å; I122-V124 HydrophobicContact CG2-CG1 3.81Å; I122-V124 PolarHBondContact O-N 3.38Å; V124-L146 HydrophobicContact CB-CD1 3.75Å; V124-L146 HydrophobicContact CG1-CD1 4.44Å; V124-L146 HydrophobicContact CG2-CD1 3.74Å; V124-R149 PolarHBondContact O-NH1 2.98Å; V124-R149 PolarHBondContact O-NH2 3.14Å; V124-Y153 HydrophobicContact CG1-CD2 4.01Å; V124-Y153 HydrophobicContact CG1-CE2 3.9Å; V124-A161 HydrophobicContact CG1-CB 4.07Å; V124-A161 HydrophobicContact CG2-CB 4.12Å; V124-K162 PolarHBondContact N-O 2.93Å; V124-K162 VanDerWaalsContact N-O 3.08Å; V124-W163 HydrophobicContact CG2-CE3 4.1Å; V124-Y189 HydrophobicContact CG2-CD2 3.84Å; V124-Y189 HydrophobicContact CG2-CE2 3.4Å
125	D	98.6	Very high	98.1	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.064	27%	0.27	C	S	.	.			trans	-66.9	149.2	172.5	77.3	76.9	0	0	0	112	K123 G127 T140 W163 R164	K123-D125 WeakPolarHBondContact CE-OD1 3.09Å; K123-D125 WeakPolarHBondContact CE-OD2 3.36Å; K123-D125 PolarHBondContact NZ-O 3.19Å; K123-D125 IonicContact NZ-OD1 3.07Å; K123-D125 PolarHBondContact NZ-OD1 3.05Å; K123-D125 IonicContact NZ-OD2 3.61Å; K123-D125 PolarHBondContact NZ-OD2 3.31Å; D125-G127 PolarHBondContact OD1-N 3.1Å; D125-T140 HydrophobicContact CB-CG2 3.64Å; D125-W163 HydrophobicContact CB-CB 4.41Å; D125-W163 HydrophobicContact CB-CD2 3.46Å; D125-W163 VanDerWaalsContact CB-CD2 3.46Å; D125-W163 HydrophobicContact CB-CE3 3.68Å; D125-W163 HydrophobicContact CB-CG 3.81Å; D125-W163 HydrophobicContact CB-CH2 4.43Å; D125-W163 HydrophobicContact CB-CZ2 4.25Å; D125-W163 HydrophobicContact CB-CZ3 4.16Å; D125-R164 PolarHBondContact OD2-N 2.92Å
126	K	97.9	Very high	98.1	Very high	109 Å²	109	39.6 Å²	39.6	47%	0.474	28%	0.275	S	S	.	.			trans	-104.4	29.3	179.8	-63	-176.8	-175	166.3	0	112.1	Q141 D144	K126-Q141 HydrophobicContact CB-CG 4.07Å; K126-Q141 PolarHBondContact N-O 3.29Å; K126-Q141 PolarHBondContact O-NE2 3.08Å; K126-D144 PolarHBondContact NZ-O 2.71Å
127	G	96.8	Very high	98.1	Very high	13 Å²	13	38.8 Å²	38.8	13%	0.134	27%	0.272	C	S	.	.			trans	85.7	173.4	176.3	0	0	0	0	0	114.6	D125 T140 Q141	D125-G127 PolarHBondContact OD1-N 3.1Å; G127-T140 WeakPolarHBondContact O-CG2 3.41Å; G127-Q141 WeakPolarHBondContact O-CG 3.33Å; G127-Q141 PolarHBondContact O-N 2.98Å
128	V	97.6	Very high	98.1	Very high	42 Å²	42	38.7 Å²	38.7	26%	0.255	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	149.8	-178.6	-65.7	0	0	0	0	111.7	T138 T139 V166 A377	V128-T138 HydrophobicContact CB-CG2 4.19Å; V128-T138 HydrophobicContact CG2-CG2 4.38Å; V128-T139 CarbonylContact C-O 3.52Å; V128-T139 VanDerWaalsContact CA-O 3.24Å; V128-T139 WeakPolarHBondContact CA-O 3.5Å; V128-V166 HydrophobicContact CG1-CB 4.22Å; V128-V166 HydrophobicContact CG1-CG2 3.71Å; V128-A377 HydrophobicContact CG2-CB 3.81Å
129	V	98.1	Very high	98.1	Very high	41 Å²	41	39.1 Å²	39.1	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.6	173.6	-67.2	0	0	0	0	110.5	T138 T139 Q141	V129-T138 CarbonylContact O-C 3.53Å; V129-T138 WeakPolarHBondContact O-CA 3.17Å; V129-T138 WeakPolarHBondContact O-CB 3.37Å; V129-T139 HydrophobicContact CG2-CG2 3.66Å; V129-T139 PolarHBondContact N-O 3.08Å; V129-T139 PolarHBondContact O-N 3.35Å; V129-Q141 HydrophobicContact CG1-CB 4.33Å; V129-Q141 HydrophobicContact CG1-CG 3.85Å; V129-Q141 HydrophobicContact CG2-CB 4.48Å
130	P	98.4	Very high	98.1	Very high	115 Å²	115	39 Å²	39	75%	0.747	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	143.3	-179.8	-21.5	33	0	0	0	113
131	L	98.2	Very high	98.1	Very high	24 Å²	24	43.7 Å²	43.7	13%	0.126	29%	0.29	C	S	.	.			trans	-91.5	111.7	167.6	-74.5	170.3	0	0	0	110	G133 T134 E137 T138 T139 A178 E181	L131-G133 PolarHBondContact O-N 2.8Å; L131-T134 HydrophobicContact CB-CG2 3.65Å; L131-T134 WeakPolarHBondContact O-CB 3.3Å; L131-T134 PolarHBondContact O-N 3.26Å; L131-T134 PolarHBondContact O-OG1 3.45Å; L131-E137 PolarHBondContact N-O 3.34Å; L131-T138 WeakPolarHBondContact CD1-O 3.43Å; L131-T139 HydrophobicContact CD2-CG2 3.83Å; L131-T139 HydrophobicContact CG-CG2 4.36Å; L131-A178 HydrophobicContact CD1-CB 4.04Å; L131-E181 HydrophobicContact CD2-CG 4.01Å
132	A	97.9	Very high	98.1	Very high	98 Å²	98	44.1 Å²	44.1	81%	0.81	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	137.3	179.3	0	0	0	0	0	111.5	T134	A132-T134 VanDerWaalsContact C-N 3.3Å; A132-T134 PolarHBondContact O-N 2.89Å
133	G	97.3	Very high	98.1	Very high	91 Å²	91	46.2 Å²	46.2	94%	0.938	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	7.2	-177.8	0	0	0	0	0	115.1	L131	L131-G133 PolarHBondContact O-N 2.8Å
134	T	98.4	Very high	98.1	Very high	33 Å²	33	52.3 Å²	52.3	20%	0.202	34%	0.338	C	S	.	.	S	Bend	trans	-108.9	163.3	175.3	72.6	0	0	0	0	112.5	L131 A132 G136 E137 L177	L131-T134 HydrophobicContact CB-CG2 3.65Å; L131-T134 WeakPolarHBondContact O-CB 3.3Å; L131-T134 PolarHBondContact O-N 3.26Å; L131-T134 PolarHBondContact O-OG1 3.45Å; A132-T134 VanDerWaalsContact C-N 3.3Å; A132-T134 PolarHBondContact O-N 2.89Å; T134-G136 PolarHBondContact O-N 3.25Å; T134-G136 VanDerWaalsContact O-N 3.12Å; T134-E137 WeakPolarHBondContact CB-OE2 3.42Å; T134-E137 HydrophobicContact CG2-CB 4.44Å; T134-E137 WeakPolarHBondContact OG1-CB 3.27Å; T134-E137 PolarHBondContact OG1-N 2.95Å; T134-L177 HydrophobicContact CG2-CD2 3.82Å
135	N	96.6	Very high	98.1	Very high	107 Å²	107	54 Å²	54	57%	0.572	36%	0.356	S	S	*	.	S	Bend	trans	-86	75.7	178.3	-175.1	23.9	0	0	0	111.6	E137 T172 T173	N135-E137 VanDerWaalsContact C-N 3.25Å; N135-E137 PolarHBondContact O-N 2.98Å; N135-T172 PolarHBondContact ND2-OG1 3.08Å; N135-T173 HydrophobicContact CB-CG2 4.26Å
136	G	96.2	Very high	98.1	Very high	65 Å²	65	53.5 Å²	53.5	67%	0.67	35%	0.353	S	S	*	.	S	Bend	trans	66.3	26.4	177.3	0	0	0	0	0	113.9	T134	T134-G136 PolarHBondContact O-N 3.25Å; T134-G136 VanDerWaalsContact O-N 3.12Å
137	E	98.6	Very high	98.1	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.056	35%	0.35	C	S	.	.			trans	-89.3	160.7	175.1	-50.1	-175.2	97.1	0	0	110.8	L131 T134 N135 T173 P174 S175 A178	L131-E137 PolarHBondContact N-O 3.34Å; T134-E137 WeakPolarHBondContact CB-OE2 3.42Å; T134-E137 HydrophobicContact CG2-CB 4.44Å; T134-E137 WeakPolarHBondContact OG1-CB 3.27Å; T134-E137 PolarHBondContact OG1-N 2.95Å; N135-E137 VanDerWaalsContact C-N 3.25Å; N135-E137 PolarHBondContact O-N 2.98Å; E137-T173 HydrophobicContact CG-CG2 3.65Å; E137-P174 WeakPolarHBondContact OE1-CA 3.36Å; E137-S175 PolarHBondContact OE1-N 2.96Å; E137-S175 WeakPolarHBondContact OE2-CB 3.38Å; E137-S175 PolarHBondContact OE2-OG 3.45Å; E137-A178 HydrophobicContact CB-CB 4.07Å; E137-A178 HydrophobicContact CG-CB 4.4Å; E137-A178 WeakPolarHBondContact OE1-CB 3.32Å
138	T	98.7	Very high	98.2	Very high	27 Å²	27	58.4 Å²	58.4	17%	0.166	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158.9	-175.3	56.2	0	0	0	0	111.9	V128 V129 L131 N182	V128-T138 HydrophobicContact CB-CG2 4.19Å; V128-T138 HydrophobicContact CG2-CG2 4.38Å; V129-T138 CarbonylContact O-C 3.53Å; V129-T138 WeakPolarHBondContact O-CA 3.17Å; V129-T138 WeakPolarHBondContact O-CB 3.37Å; L131-T138 WeakPolarHBondContact CD1-O 3.43Å; T138-N182 PolarHBondContact O-ND2 3.46Å
139	T	98.7	Very high	98.3	Very high	13 Å²	13	59 Å²	59	8%	0.08	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-177.8	155	-172.7	0	0	0	0	108.2	V128 V129 L131 E181	V128-T139 CarbonylContact C-O 3.52Å; V128-T139 VanDerWaalsContact CA-O 3.24Å; V128-T139 WeakPolarHBondContact CA-O 3.5Å; V129-T139 HydrophobicContact CG2-CG2 3.66Å; V129-T139 PolarHBondContact N-O 3.08Å; V129-T139 PolarHBondContact O-N 3.35Å; L131-T139 HydrophobicContact CD2-CG2 3.83Å; L131-T139 HydrophobicContact CG-CG2 4.36Å; T139-E181 HydrophobicContact CG2-CG 4.24Å; T139-E181 WeakPolarHBondContact OG1-CG 3.36Å; T139-E181 PolarHBondContact OG1-OE1 3.09Å; T139-E181 VanDerWaalsContact OG1-OE1 3.11Å
140	T	98.7	Very high	98.3	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.025	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.3	178.6	-60.5	0	0	0	0	110.4	D125 G127 W163 R164 C165 V185	D125-T140 HydrophobicContact CB-CG2 3.64Å; G127-T140 WeakPolarHBondContact O-CG2 3.41Å; T140-W163 HydrophobicContact CG2-CD2 4.46Å; T140-W163 HydrophobicContact CG2-CZ2 3.73Å; T140-W163 VanDerWaalsContact CG2-NE1 3.27Å; T140-R164 WeakPolarHBondContact CB-O 3.42Å; T140-R164 WeakPolarHBondContact CG2-O 3.36Å; T140-R164 PolarHBondContact OG1-O 3.33Å; T140-C165 WeakPolarHBondContact OG1-CA 3.4Å; T140-V185 WeakPolarHBondContact O-CG2 3.44Å
141	Q	98.4	Very high	98.3	Very high	98 Å²	98	52.8 Å²	52.8	46%	0.458	33%	0.331	S	S	.	.			trans	-101.3	164.9	-179.7	59.6	169.7	16.5	0	0	112.5	K126 G127 V129 W163	K126-Q141 HydrophobicContact CB-CG 4.07Å; K126-Q141 PolarHBondContact N-O 3.29Å; K126-Q141 PolarHBondContact O-NE2 3.08Å; G127-Q141 WeakPolarHBondContact O-CG 3.33Å; G127-Q141 PolarHBondContact O-N 2.98Å; V129-Q141 HydrophobicContact CG1-CB 4.33Å; V129-Q141 HydrophobicContact CG1-CG 3.85Å; V129-Q141 HydrophobicContact CG2-CB 4.48Å; Q141-W163 VanDerWaalsContact C-CH2 3.48Å; Q141-W163 WeakPolarHBondContact O-CH2 3.34Å; Q141-W163 WeakPolarHBondContact O-CZ2 3.37Å
142	G	98.6	Very high	98.3	Very high	8 Å²	8	55.8 Å²	55.8	8%	0.082	34%	0.344	C	S	.	.			trans	130.9	7.9	171.6	0	0	0	0	0	116.5	D144 W163	G142-D144 VanDerWaalsContact C-N 3.3Å; G142-W163 VanDerWaalsContact C-CH2 3.45Å
143	L	98.8	Very high	98.4	Very high	45 Å²	45	51.6 Å²	51.6	24%	0.236	31%	0.307	C	S	.	.			trans	-68.8	-30.8	178	-66.3	-176.8	0	0	0	111.9	G145 L146 W163 V185 R188 I192	L143-G145 PolarHBondContact O-N 2.73Å; L143-L146 HydrophobicContact CD2-CD2 3.93Å; L143-L146 WeakPolarHBondContact O-CB 3.24Å; L143-L146 PolarHBondContact O-N 2.8Å; L143-W163 HydrophobicContact CD2-CH2 3.8Å; L143-W163 HydrophobicContact CD2-CZ2 4.43Å; L143-W163 HydrophobicContact CD2-CZ3 4.04Å; L143-W163 HydrophobicContact CG-CH2 3.99Å; L143-V185 HydrophobicContact CD1-CG2 3.91Å; L143-V185 HydrophobicContact CD2-CG2 4.33Å; L143-V185 HydrophobicContact CG-CG2 4.04Å; L143-R188 HydrophobicContact CD1-CB 3.72Å; L143-R188 HydrophobicContact CD1-CG 4.26Å; L143-R188 HydrophobicContact CD2-CB 4.1Å; L143-I192 HydrophobicContact CD2-CD1 4.34Å
144	D	98.7	Very high	98.4	Very high	142 Å²	142	49.3 Å²	49.3	76%	0.759	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	120.3	178	-60.8	-17	0	0	0	110.8	K126 G142 L146	K126-D144 PolarHBondContact NZ-O 2.71Å; G142-D144 VanDerWaalsContact C-N 3.3Å; D144-L146 PolarHBondContact O-N 3.12Å
145	G	98.5	Very high	98.5	Very high	36 Å²	36	55.6 Å²	55.6	37%	0.371	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	11.6	-174.7	0	0	0	0	0	114.5	L143 Y147 E148 R149	L143-G145 PolarHBondContact O-N 2.73Å; G145-Y147 VanDerWaalsContact C-N 3.31Å; G145-Y147 PolarHBondContact O-N 3.37Å; G145-E148 WeakPolarHBondContact CA-OE2 3.25Å; G145-R149 WeakPolarHBondContact O-CB 3.28Å; G145-R149 WeakPolarHBondContact O-CD 3.33Å; G145-R149 WeakPolarHBondContact O-CG 3.35Å; G145-R149 PolarHBondContact O-N 3Å; G145-R149 VanDerWaalsContact O-N 3.11Å
146	L	98.8	Very high	98.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-35.2	-178.9	-179.5	63.1	0	0	0	112	V124 L143 D144 R149 C150 W163 Y189 I192	V124-L146 HydrophobicContact CB-CD1 3.75Å; V124-L146 HydrophobicContact CG1-CD1 4.44Å; V124-L146 HydrophobicContact CG2-CD1 3.74Å; L143-L146 HydrophobicContact CD2-CD2 3.93Å; L143-L146 WeakPolarHBondContact O-CB 3.24Å; L143-L146 PolarHBondContact O-N 2.8Å; D144-L146 PolarHBondContact O-N 3.12Å; L146-R149 PolarHBondContact O-N 2.84Å; L146-C150 WeakPolarHBondContact O-CB 3.17Å; L146-C150 PolarHBondContact O-N 3.14Å; L146-W163 HydrophobicContact CD2-CZ3 4.12Å; L146-Y189 HydrophobicContact CD2-CD2 4.01Å; L146-I192 HydrophobicContact CB-CD1 4.48Å; L146-I192 HydrophobicContact CB-CG2 4.17Å; L146-I192 HydrophobicContact CD2-CB 4.08Å; L146-I192 HydrophobicContact CD2-CD1 4.08Å; L146-I192 HydrophobicContact CD2-CG2 3.94Å; L146-I192 HydrophobicContact CG-CB 4.43Å; L146-I192 HydrophobicContact CG-CG2 3.74Å
147	Y	98.4	Very high	98.7	Very high	106 Å²	106	50.3 Å²	50.3	42%	0.416	26%	0.255	S	S	.	.	H	α-helix	trans	-56.4	-56.9	178	-175.7	-92.4	0	0	0	110.6	G145 R149 C150 A151 M195 H196	G145-Y147 VanDerWaalsContact C-N 3.31Å; G145-Y147 PolarHBondContact O-N 3.37Å; Y147-R149 VanDerWaalsContact C-N 3.33Å; Y147-R149 PolarHBondContact O-N 2.77Å; Y147-C150 PolarHBondContact O-N 3.42Å; Y147-A151 PolarHBondContact O-N 3.25Å; Y147-A151 VanDerWaalsContact O-N 3.07Å; Y147-M195 HydrophobicContact CD2-CE 4.26Å; Y147-M195 HydrophobicContact CD2-SD 4.41Å; Y147-M195 HydrophobicContact CE2-CB 4.37Å; Y147-M195 HydrophobicContact CE2-CE 3.51Å; Y147-M195 HydrophobicContact CE2-SD 4.15Å; Y147-H196 AromaticContact CD1-NE2 3.44Å; Y147-H196 WeakPolarHBondContact CD1-NE2 3.36Å; Y147-H196 AromaticContact CD2-CD2 3.91Å; Y147-H196 AromaticContact CD2-NE2 3.1Å; Y147-H196 WeakPolarHBondContact CD2-NE2 3.36Å; Y147-H196 AromaticContact CE1-CE1 3.56Å; Y147-H196 AromaticContact CE1-NE2 3.41Å; Y147-H196 WeakPolarHBondContact CE1-NE2 3.34Å; Y147-H196 AromaticContact CE2-CE1 3.53Å; Y147-H196 AromaticContact CE2-NE2 3.04Å; Y147-H196 WeakPolarHBondContact CE2-NE2 3.42Å; Y147-H196 AromaticContact CG-NE2 3.28Å; Y147-H196 VanDerWaalsContact CG-NE2 3.28Å; Y147-H196 AromaticContact CZ-CE1 3.28Å; Y147-H196 AromaticContact CZ-NE2 3.21Å; Y147-H196 PolarHBondContact O-CD2 3.07Å; Y147-H196 PolarHBondContact O-NE2 2.92Å
148	E	98.7	Very high	98.7	Very high	120 Å²	120	49.7 Å²	49.7	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-63	-39.9	179.5	-61.8	71.9	-155.7	0	0	111.7	G145 A151 Q152	G145-E148 WeakPolarHBondContact CA-OE2 3.25Å; E148-A151 PolarHBondContact O-N 3.46Å; E148-Q152 PolarHBondContact O-N 2.79Å
149	R	98.8	Very high	98.7	Very high	55 Å²	55	49.8 Å²	49.8	21%	0.208	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-43.5	177.1	-74.6	171.5	62.6	-141	-0.8	112.2	V124 G145 L146 Y147 Q152 Y153	V124-R149 PolarHBondContact O-NH1 2.98Å; V124-R149 PolarHBondContact O-NH2 3.14Å; G145-R149 WeakPolarHBondContact O-CB 3.28Å; G145-R149 WeakPolarHBondContact O-CD 3.33Å; G145-R149 WeakPolarHBondContact O-CG 3.35Å; G145-R149 PolarHBondContact O-N 3Å; G145-R149 VanDerWaalsContact O-N 3.11Å; L146-R149 PolarHBondContact O-N 2.84Å; Y147-R149 VanDerWaalsContact C-N 3.33Å; Y147-R149 PolarHBondContact O-N 2.77Å; R149-Q152 PolarHBondContact O-N 3.23Å; R149-Y153 HydrophobicContact CB-CD2 4.36Å; R149-Y153 HydrophobicContact CB-CE2 4.02Å; R149-Y153 WeakPolarHBondContact O-CD2 3.45Å; R149-Y153 PolarHBondContact O-N 3.39Å
150	C	98.8	Very high	98.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-43.3	176.5	-82.3	0	0	0	0	111.3	L146 Y147 Q152 Y153 K154 C193 H196	L146-C150 WeakPolarHBondContact O-CB 3.17Å; L146-C150 PolarHBondContact O-N 3.14Å; Y147-C150 PolarHBondContact O-N 3.42Å; C150-Q152 VanDerWaalsContact C-N 3.29Å; C150-Q152 PolarHBondContact O-N 3.26Å; C150-Y153 PolarHBondContact O-N 3.09Å; C150-K154 WeakPolarHBondContact O-CB 3.16Å; C150-K154 PolarHBondContact O-N 2.83Å; C150-C193 VanDerWaalsContact SG-SG 3.68Å; C150-H196 HydrophobicContact CB-CB 3.99Å
151	A	98.7	Very high	98.7	Very high	25 Å²	25	49 Å²	49	21%	0.207	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-42.3	174.2	0	0	0	0	0	112	Y147 E148 K155	Y147-A151 PolarHBondContact O-N 3.25Å; Y147-A151 VanDerWaalsContact O-N 3.07Å; E148-A151 PolarHBondContact O-N 3.46Å; A151-K155 WeakPolarHBondContact O-CG 3.33Å; A151-K155 PolarHBondContact O-N 3.23Å
152	Q	98.8	Very high	98.7	Very high	86 Å²	86	44.3 Å²	44.3	40%	0.402	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-48.7	177.5	-172.2	55.8	49.4	0	0	111.8	E148 R149 C150 K154 K155 D156	E148-Q152 PolarHBondContact O-N 2.79Å; R149-Q152 PolarHBondContact O-N 3.23Å; C150-Q152 VanDerWaalsContact C-N 3.29Å; C150-Q152 PolarHBondContact O-N 3.26Å; Q152-K154 VanDerWaalsContact C-N 3.26Å; Q152-K154 PolarHBondContact O-N 3.03Å; Q152-K155 WeakPolarHBondContact O-CB 3.28Å; Q152-K155 PolarHBondContact O-N 2.86Å; Q152-K155 VanDerWaalsContact O-N 3.09Å; Q152-D156 WeakPolarHBondContact CG-OD2 3.39Å; Q152-D156 VanDerWaalsContact NE2-CG 3.32Å; Q152-D156 PolarHBondContact NE2-OD1 2.89Å; Q152-D156 PolarHBondContact NE2-OD2 2.91Å; Q152-D156 VanDerWaalsContact NE2-OD2 3.12Å; Q152-D156 PolarHBondContact O-N 2.86Å
153	Y	98.9	Very high	98.7	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.039	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-34.8	178.2	-67.7	-48.1	0	0	0	112.7	H96 M99 Y100 I122 V124 R149 C150 D156 G157 A158	H96-Y153 AromaticContact ND1-CE1 3.55Å; H96-Y153 AromaticContact ND1-CZ 3.69Å; H96-Y153 PolarHBondContact ND1-OH 2.84Å; M99-Y153 HydrophobicContact CG-CD1 4.38Å; Y100-Y153 HydrophobicContact CE2-CE1 4.31Å; I122-Y153 HydrophobicContact CD1-CE1 4.21Å; I122-Y153 HydrophobicContact CG1-CD1 4.03Å; I122-Y153 HydrophobicContact CG1-CD2 3.95Å; I122-Y153 HydrophobicContact CG1-CE1 3.96Å; I122-Y153 HydrophobicContact CG1-CE2 3.86Å; I122-Y153 HydrophobicContact CG1-CG 4.05Å; I122-Y153 HydrophobicContact CG2-CD2 3.95Å; I122-Y153 HydrophobicContact CG2-CG 4Å; V124-Y153 HydrophobicContact CG1-CD2 4.01Å; V124-Y153 HydrophobicContact CG1-CE2 3.9Å; R149-Y153 HydrophobicContact CB-CD2 4.36Å; R149-Y153 HydrophobicContact CB-CE2 4.02Å; R149-Y153 WeakPolarHBondContact O-CD2 3.45Å; R149-Y153 PolarHBondContact O-N 3.39Å; C150-Y153 PolarHBondContact O-N 3.09Å; Y153-D156 CarbonylContact O-C 3.11Å; Y153-D156 PolarHBondContact O-N 2.78Å; Y153-G157 PolarHBondContact O-N 3.3Å; Y153-A158 WeakPolarHBondContact O-CB 3.37Å; Y153-A158 PolarHBondContact O-N 2.86Å
154	K	98.7	Very high	98.7	Very high	44 Å²	44	42.1 Å²	42.1	19%	0.191	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-45.7	173.9	-175	65.4	173.8	-174.5	0	111.5	E30 C150 Q152 D156 G157 A158 D159 H196 G197 I198	E30-K154 VanDerWaalsContact OE1-CE 3.3Å; E30-K154 WeakPolarHBondContact OE1-CE 3.28Å; E30-K154 IonicContact OE1-NZ 3.67Å; E30-K154 PolarHBondContact OE1-NZ 3Å; C150-K154 WeakPolarHBondContact O-CB 3.16Å; C150-K154 PolarHBondContact O-N 2.83Å; Q152-K154 VanDerWaalsContact C-N 3.26Å; Q152-K154 PolarHBondContact O-N 3.03Å; K154-D156 VanDerWaalsContact C-N 3.28Å; K154-D156 PolarHBondContact O-N 3.31Å; K154-G157 PolarHBondContact O-N 2.93Å; K154-G157 VanDerWaalsContact O-N 3.14Å; K154-A158 WeakPolarHBondContact CA-O 3.44Å; K154-A158 WeakPolarHBondContact CD-O 3.35Å; K154-D159 IonicContact NZ-OD1 2.74Å; K154-D159 PolarHBondContact NZ-OD1 2.9Å; K154-H196 WeakPolarHBondContact CG-O 3.23Å; K154-G197 WeakPolarHBondContact CE-O 3.38Å; K154-G197 PolarHBondContact NZ-O 3.4Å; K154-I198 HydrophobicContact CB-CD1 4.21Å; K154-I198 HydrophobicContact CB-CG1 4.2Å; K154-I198 HydrophobicContact CD-CG1 4.13Å
155	K	98.6	Very high	98.7	Very high	164 Å²	164	35.3 Å²	35.3	71%	0.713	17%	0.174	S	C	*	.	H	α-helix	trans	-61.1	-38.1	174.1	-68.1	172.7	-176	176.5	0	112	A151 Q152 G157	A151-K155 WeakPolarHBondContact O-CG 3.33Å; A151-K155 PolarHBondContact O-N 3.23Å; Q152-K155 WeakPolarHBondContact O-CB 3.28Å; Q152-K155 PolarHBondContact O-N 2.86Å; Q152-K155 VanDerWaalsContact O-N 3.09Å; K155-G157 PolarHBondContact O-N 3.37Å
156	D	98.6	Very high	98.7	Very high	50 Å²	50	34.2 Å²	34.2	27%	0.267	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.7	-179.9	-59	-24.3	0	0	0	112.8	M99 Y100 Q152 Y153 K154	M99-D156 VanDerWaalsContact CE-C 3.46Å; M99-D156 HydrophobicContact CE-CB 3.65Å; M99-D156 WeakPolarHBondContact CE-O 3.38Å; Y100-D156 HydrophobicContact CE1-CB 4.26Å; Y100-D156 VanDerWaalsContact CE1-OD2 3.28Å; Y100-D156 WeakPolarHBondContact CE1-OD2 3.34Å; Y100-D156 PolarHBondContact OH-OD2 2.78Å; Q152-D156 WeakPolarHBondContact CG-OD2 3.39Å; Q152-D156 VanDerWaalsContact NE2-CG 3.32Å; Q152-D156 PolarHBondContact NE2-OD1 2.89Å; Q152-D156 PolarHBondContact NE2-OD2 2.91Å; Q152-D156 VanDerWaalsContact NE2-OD2 3.12Å; Q152-D156 PolarHBondContact O-N 2.86Å; Y153-D156 CarbonylContact O-C 3.11Å; Y153-D156 PolarHBondContact O-N 2.78Å; K154-D156 VanDerWaalsContact C-N 3.28Å; K154-D156 PolarHBondContact O-N 3.31Å
157	G	98.4	Very high	98.7	Very high	11 Å²	11	34.5 Å²	34.5	11%	0.113	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.7	8.6	169.7	0	0	0	0	0	115.6	K114 Y153 K154 K155	K114-G157 WeakPolarHBondContact CE-O 3.41Å; K114-G157 PolarHBondContact NZ-O 3.23Å; Y153-G157 PolarHBondContact O-N 3.3Å; K154-G157 PolarHBondContact O-N 2.93Å; K154-G157 VanDerWaalsContact O-N 3.14Å; K155-G157 PolarHBondContact O-N 3.37Å
158	A	98.8	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.			trans	-79.5	133	171.5	0	0	0	0	0	111.2	M99 V120 I122 Y153 K154 I198	M99-A158 HydrophobicContact CE-CB 3.97Å; M99-A158 HydrophobicContact SD-CB 4.5Å; V120-A158 WeakPolarHBondContact O-CA 3.45Å; I122-A158 HydrophobicContact CB-CB 4.23Å; I122-A158 HydrophobicContact CG2-CB 3.74Å; Y153-A158 WeakPolarHBondContact O-CB 3.37Å; Y153-A158 PolarHBondContact O-N 2.86Å; K154-A158 WeakPolarHBondContact CA-O 3.44Å; K154-A158 WeakPolarHBondContact CD-O 3.35Å; A158-I198 HydrophobicContact CB-CD1 4.42Å
159	D	98.9	Very high	98.7	Very high	28 Å²	28	27.1 Å²	27.1	15%	0.15	13%	0.13	C	C	.	.			trans	-114.7	-11.3	-178.7	-69.7	-53.8	0	0	0	112.2	I34 K114 V119 V120 K154 I198 V199	I34-D159 HydrophobicContact CD1-CB 4.03Å; I34-D159 HydrophobicContact CG1-CB 4.4Å; I34-D159 HydrophobicContact CG2-CB 4.08Å; K114-D159 VanDerWaalsContact CE-OD2 3.26Å; K114-D159 WeakPolarHBondContact CE-OD2 3.24Å; K114-D159 IonicContact NZ-OD2 3.78Å; K114-D159 PolarHBondContact NZ-OD2 3.39Å; V119-D159 HydrophobicContact CG1-CB 3.63Å; V120-D159 PolarHBondContact O-N 2.81Å; K154-D159 IonicContact NZ-OD1 2.74Å; K154-D159 PolarHBondContact NZ-OD1 2.9Å; D159-I198 WeakPolarHBondContact O-CA 3.39Å; D159-V199 PolarHBondContact O-N 3.07Å
160	F	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	163.8	170.4	74	-80.5	0	0	0	111.8	I38 I45 I93 V119 V120 G121 I122 I198 V199 I201	I38-F160 HydrophobicContact CD1-CB 3.84Å; I38-F160 HydrophobicContact CD1-CD1 3.72Å; I38-F160 HydrophobicContact CD1-CD2 4.31Å; I38-F160 HydrophobicContact CD1-CE1 4.26Å; I38-F160 HydrophobicContact CD1-CG 3.74Å; I38-F160 HydrophobicContact CG1-CD1 4.43Å; I45-F160 HydrophobicContact CD1-CE2 4.38Å; I45-F160 HydrophobicContact CG2-CZ 4.42Å; I93-F160 HydrophobicContact CD1-CE2 4.44Å; I93-F160 HydrophobicContact CG1-CE2 3.6Å; I93-F160 HydrophobicContact CG1-CZ 4.03Å; V119-F160 HydrophobicContact CB-CD1 4.21Å; V119-F160 HydrophobicContact CB-CE1 4.09Å; V119-F160 HydrophobicContact CG1-CD1 3.6Å; V119-F160 HydrophobicContact CG1-CE1 3.97Å; V119-F160 WeakPolarHBondContact O-CE1 3.49Å; V120-F160 VanDerWaalsContact C-CD1 3.49Å; V120-F160 VanDerWaalsContact O-CD1 3.24Å; V120-F160 WeakPolarHBondContact O-CD1 3.02Å; V120-F160 PolarHBondContact O-N 3.17Å; G121-F160 CarbonylContact C-O 3.54Å; G121-F160 VanDerWaalsContact CA-CD1 3.41Å; G121-F160 WeakPolarHBondContact CA-O 3.28Å; I122-F160 PolarHBondContact N-O 3.31Å; F160-I198 VanDerWaalsContact C-CG2 3.46Å; F160-V199 CarbonylContact C-O 3.55Å; F160-V199 WeakPolarHBondContact CA-O 3.39Å; F160-V199 HydrophobicContact CB-CB 3.87Å; F160-V199 HydrophobicContact CB-CG1 4.45Å; F160-V199 VanDerWaalsContact CB-O 3.25Å; F160-V199 WeakPolarHBondContact CB-O 3.42Å; F160-I201 HydrophobicContact CD2-CD1 3.46Å; F160-I201 VanDerWaalsContact CD2-CD1 3.46Å; F160-I201 HydrophobicContact CD2-CG1 3.88Å; F160-I201 HydrophobicContact CE2-CD1 3.5Å; F160-I201 VanDerWaalsContact CE2-CD1 3.5Å; F160-I201 HydrophobicContact CE2-CG1 4.41Å
161	A	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	166.8	177.7	0	0	0	0	0	110.9	I122 V124 Y189 I198 V199 I201	I122-A161 HydrophobicContact CG2-CB 4.24Å; I122-A161 CarbonylContact O-C 3.58Å; I122-A161 WeakPolarHBondContact O-CA 3.1Å; I122-A161 WeakPolarHBondContact O-CB 3.19Å; V124-A161 HydrophobicContact CG1-CB 4.07Å; V124-A161 HydrophobicContact CG2-CB 4.12Å; A161-Y189 HydrophobicContact CB-CE2 4.14Å; A161-Y189 WeakPolarHBondContact CB-OH 3.39Å; A161-Y189 PolarHBondContact O-OH 3.25Å; A161-I198 HydrophobicContact CB-CG2 3.52Å; A161-V199 PolarHBondContact N-O 3.27Å; A161-I201 VanDerWaalsContact O-CB 3.29Å; A161-I201 WeakPolarHBondContact O-CB 3.16Å; A161-I201 WeakPolarHBondContact O-CG1 3.49Å; A161-I201 PolarHBondContact O-N 2.95Å
162	K	98.9	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.5	174.2	-164.6	-144.3	81.6	169.8	0	110.8	D49 I93 I122 V124 Y189 I201 E203	D49-K162 WeakPolarHBondContact OD2-CD 3.37Å; D49-K162 VanDerWaalsContact OD2-CE 3.23Å; D49-K162 WeakPolarHBondContact OD2-CE 3.46Å; D49-K162 IonicContact OD2-NZ 3.67Å; D49-K162 PolarHBondContact OD2-NZ 3.26Å; I93-K162 HydrophobicContact CD1-CB 4.18Å; I93-K162 HydrophobicContact CD1-CD 3.88Å; I93-K162 HydrophobicContact CD1-CG 4.04Å; I93-K162 HydrophobicContact CG2-CB 3.89Å; I93-K162 HydrophobicContact CG2-CD 4.37Å; I122-K162 PolarHBondContact O-N 3.23Å; V124-K162 PolarHBondContact N-O 2.93Å; V124-K162 VanDerWaalsContact N-O 3.08Å; K162-Y189 WeakPolarHBondContact CA-OH 3.31Å; K162-Y189 PolarHBondContact N-OH 2.87Å; K162-I201 HydrophobicContact CG-CB 4.35Å; K162-I201 HydrophobicContact CG-CG2 4.39Å; K162-E203 WeakPolarHBondContact CD-OE2 3.16Å; K162-E203 WeakPolarHBondContact CE-OE2 3.38Å; K162-E203 IonicContact NZ-OE2 3.29Å; K162-E203 PolarHBondContact NZ-OE2 2.83Å
163	W	98.9	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.8	171	-174.5	-69.1	0	0	0	110.8	V124 D125 T140 Q141 G142 L143 L146 V185 L186 Y189 I201 E203	V124-W163 HydrophobicContact CG2-CE3 4.1Å; D125-W163 HydrophobicContact CB-CB 4.41Å; D125-W163 HydrophobicContact CB-CD2 3.46Å; D125-W163 VanDerWaalsContact CB-CD2 3.46Å; D125-W163 HydrophobicContact CB-CE3 3.68Å; D125-W163 HydrophobicContact CB-CG 3.81Å; D125-W163 HydrophobicContact CB-CH2 4.43Å; D125-W163 HydrophobicContact CB-CZ2 4.25Å; D125-W163 HydrophobicContact CB-CZ3 4.16Å; T140-W163 HydrophobicContact CG2-CD2 4.46Å; T140-W163 HydrophobicContact CG2-CZ2 3.73Å; T140-W163 VanDerWaalsContact CG2-NE1 3.27Å; Q141-W163 VanDerWaalsContact C-CH2 3.48Å; Q141-W163 WeakPolarHBondContact O-CH2 3.34Å; Q141-W163 WeakPolarHBondContact O-CZ2 3.37Å; G142-W163 VanDerWaalsContact C-CH2 3.45Å; L143-W163 HydrophobicContact CD2-CH2 3.8Å; L143-W163 HydrophobicContact CD2-CZ2 4.43Å; L143-W163 HydrophobicContact CD2-CZ3 4.04Å; L143-W163 HydrophobicContact CG-CH2 3.99Å; L146-W163 HydrophobicContact CD2-CZ3 4.12Å; W163-V185 HydrophobicContact CH2-CG2 4.43Å; W163-V185 HydrophobicContact CZ2-CG2 3.64Å; W163-L186 HydrophobicContact CB-CD2 4.43Å; W163-L186 HydrophobicContact CG-CD2 4.31Å; W163-Y189 HydrophobicContact CB-CD1 3.41Å; W163-Y189 VanDerWaalsContact CB-CD1 3.41Å; W163-Y189 HydrophobicContact CB-CD2 3.71Å; W163-Y189 HydrophobicContact CB-CE1 3.39Å; W163-Y189 HydrophobicContact CB-CE2 3.7Å; W163-Y189 HydrophobicContact CB-CG 3.56Å; W163-Y189 HydrophobicContact CD2-CD2 4.02Å; W163-Y189 AromaticContact CD2-CG 3.88Å; W163-Y189 HydrophobicContact CD2-CG 3.88Å; W163-Y189 AromaticContact CE3-CD2 3.49Å; W163-Y189 HydrophobicContact CE3-CD2 3.49Å; W163-Y189 VanDerWaalsContact CE3-CD2 3.49Å; W163-Y189 HydrophobicContact CE3-CE2 4.27Å; W163-Y189 AromaticContact CE3-CG 3.77Å; W163-Y189 HydrophobicContact CE3-CG 3.77Å; W163-Y189 AromaticContact CG-CD1 3.98Å; W163-Y189 HydrophobicContact CG-CD1 3.98Å; W163-Y189 HydrophobicContact CG-CD2 4.16Å; W163-Y189 HydrophobicContact CG-CE1 4.42Å; W163-Y189 AromaticContact CG-CG 3.83Å; W163-Y189 HydrophobicContact CG-CG 3.83Å; W163-Y189 HydrophobicContact CZ3-CD2 4.37Å; W163-I201 PolarHBondContact N-O 2.78Å; W163-E203 WeakPolarHBondContact O-CB 3.28Å; W163-E203 PolarHBondContact O-N 3.33Å; W163-E203 VanDerWaalsContact O-N 3.16Å
164	R	98.7	Very high	98.4	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.4	-178.5	-177.3	178.3	177.9	-108	8.7	112.9	D125 T140 V166 E203 E205 H376 Y378	D125-R164 PolarHBondContact OD2-N 2.92Å; T140-R164 WeakPolarHBondContact CB-O 3.42Å; T140-R164 WeakPolarHBondContact CG2-O 3.36Å; T140-R164 PolarHBondContact OG1-O 3.33Å; R164-V166 HydrophobicContact CG-CG2 4.31Å; R164-E203 HydrophobicContact CB-CB 4.47Å; R164-E203 HydrophobicContact CB-CG 4.23Å; R164-E203 WeakPolarHBondContact CB-OE2 3.34Å; R164-E203 HydrophobicContact CG-CG 4.01Å; R164-E205 IonicContact CZ-OE2 2.64Å; R164-E205 IonicContact NE-OE2 2.6Å; R164-E205 PolarHBondContact NE-OE2 3.12Å; R164-E205 VanDerWaalsContact NH2-CD 3.32Å; R164-E205 IonicContact NH2-OE1 2.71Å; R164-E205 IonicContact NH2-OE2 2.66Å; R164-E205 PolarHBondContact NH2-OE2 2.58Å; R164-H376 PolarHBondContact NH1-O 3.08Å; R164-H376 PolarHBondContact NH2-O 3.38Å; R164-Y378 VanDerWaalsContact CD-CE2 3.41Å
165	C	98.8	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	154.2	162.7	-78.3	0	0	0	0	110.1	T140 N182 V185 L186 E203 E205	T140-C165 WeakPolarHBondContact OG1-CA 3.4Å; C165-N182 HydrophobicContact CB-CB 3.95Å; C165-N182 WeakPolarHBondContact CB-OD1 3.22Å; C165-N182 PolarHBondContact SG-OD1 3.33Å; C165-V185 VanDerWaalsContact SG-CG1 3.6Å; C165-L186 HydrophobicContact CB-CD1 4.04Å; C165-L186 HydrophobicContact CB-CD2 4.47Å; C165-L186 HydrophobicContact CB-CG 4.25Å; C165-E203 PolarHBondContact N-O 2.82Å; C165-E205 PolarHBondContact O-N 2.97Å
166	V	98.3	Very high	98.4	Very high	13 Å²	13	31.3 Å²	31.3	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130	-175.5	-174.5	0	0	0	0	110.1	V128 R164 E205 L207	V128-V166 HydrophobicContact CG1-CB 4.22Å; V128-V166 HydrophobicContact CG1-CG2 3.71Å; R164-V166 HydrophobicContact CG-CG2 4.31Å; V166-E205 CarbonylContact C-O 3.21Å; V166-E205 WeakPolarHBondContact CA-O 3.29Å; V166-L207 HydrophobicContact CG1-CD1 3.57Å; V166-L207 HydrophobicContact CG1-CD2 3.91Å; V166-L207 HydrophobicContact CG1-CG 3.57Å
167	L	98.7	Very high	98.4	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	148	174	-58.5	101.9	0	0	0	109.5	P174 I179 E205 I206 L207 V224	L167-P174 HydrophobicContact CB-CB 4.33Å; L167-P174 HydrophobicContact CD2-CB 3.88Å; L167-P174 HydrophobicContact CD2-CG 4.45Å; L167-I179 HydrophobicContact CD2-CG1 4.11Å; L167-E205 PolarHBondContact N-O 2.84Å; L167-I206 HydrophobicContact CB-CG1 4.23Å; L167-I206 HydrophobicContact CD1-CG1 4.47Å; L167-I206 WeakPolarHBondContact O-CA 3.45Å; L167-L207 PolarHBondContact O-N 2.87Å; L167-V224 HydrophobicContact CD1-CG1 4.03Å; L167-V224 HydrophobicContact CD2-CG1 4.41Å; L167-V224 HydrophobicContact CD2-CG2 3.85Å
168	K	98	Very high	98.4	Very high	65 Å²	65	32.9 Å²	32.9	28%	0.283	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.7	-177.6	-169.8	173.8	178	169.5	0	110.7	T170 T173 P174 N375	K168-T170 HydrophobicContact CD-CG2 4.15Å; K168-T170 HydrophobicContact CG-CG2 4.05Å; K168-T173 CarbonylContact O-C 3.5Å; K168-T173 VanDerWaalsContact O-CB 3.25Å; K168-T173 WeakPolarHBondContact O-CB 3.49Å; K168-T173 PolarHBondContact O-OG1 3.12Å; K168-P174 WeakPolarHBondContact O-CD 3.3Å; K168-N375 PolarHBondContact NZ-OD1 2.78Å
169	I	98.4	Very high	98.4	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	19%	0.187	C	C	.	.			trans	-91.2	120.5	172.3	-61	176.3	0	0	0	108.9	I206 H212 R216 C217 I220	I169-I206 HydrophobicContact CD1-CG2 3.62Å; I169-I206 HydrophobicContact CG1-CG2 3.64Å; I169-H212 HydrophobicContact CG2-CB 3.91Å; I169-R216 HydrophobicContact CG2-CG 3.96Å; I169-C217 HydrophobicContact CD1-CB 4.34Å; I169-I220 HydrophobicContact CD1-CB 4.07Å; I169-I220 HydrophobicContact CD1-CG1 4.2Å; I169-I220 HydrophobicContact CD1-CG2 4.26Å; I169-I220 HydrophobicContact CG1-CB 4.32Å; I169-I220 HydrophobicContact CG1-CG1 4.23Å; I169-I220 HydrophobicContact CG1-CG2 4.1Å
170	T	97.6	Very high	98.4	Very high	34 Å²	34	37.6 Å²	37.6	21%	0.209	20%	0.204	C	C	.	.	S	Bend	trans	-141.3	-178.3	169	72.7	0	0	0	0	108.2	K168 T172 T173	K168-T170 HydrophobicContact CD-CG2 4.15Å; K168-T170 HydrophobicContact CG-CG2 4.05Å; T170-T172 PolarHBondContact O-N 3.41Å; T170-T172 PolarHBondContact OG1-N 3.45Å; T170-T173 WeakPolarHBondContact CB-OG1 3.47Å; T170-T173 VanDerWaalsContact CG2-OG1 3.32Å; T170-T173 WeakPolarHBondContact CG2-OG1 3.21Å; T170-T173 PolarHBondContact N-O 3.21Å; T170-T173 VanDerWaalsContact N-O 3.13Å; T170-T173 PolarHBondContact N-OG1 3.28Å; T170-T173 VanDerWaalsContact N-OG1 3.14Å; T170-T173 VanDerWaalsContact O-O 3.05Å; T170-T173 WeakPolarHBondContact OG1-CB 3.45Å; T170-T173 WeakPolarHBondContact OG1-CG2 3.41Å; T170-T173 PolarHBondContact OG1-N 3.11Å; T170-T173 VanDerWaalsContact OG1-N 3.09Å; T170-T173 PolarHBondContact OG1-OG1 3.06Å
171	P	97	Very high	98.4	Very high	131 Å²	131	40.8 Å²	40.8	85%	0.851	22%	0.219	S	C	*	.	S	Bend	trans	-56.7	-27.1	171.9	-28.4	37.9	0	0	0	113.9
172	T	96.4	Very high	98.4	Very high	95 Å²	95	41 Å²	41	58%	0.583	22%	0.22	S	C	*	.	S	Bend	trans	-116.9	-2.2	-176.1	59.8	0	0	0	0	115	N135 T170	N135-T172 PolarHBondContact ND2-OG1 3.08Å; T170-T172 PolarHBondContact O-N 3.41Å; T170-T172 PolarHBondContact OG1-N 3.45Å
173	T	98.4	Very high	98.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	22%	0.221	C	C	.	.			trans	-128.6	155.3	-177.4	69.1	0	0	0	0	111.5	N135 E137 K168 T170	N135-T173 HydrophobicContact CB-CG2 4.26Å; E137-T173 HydrophobicContact CG-CG2 3.65Å; K168-T173 CarbonylContact O-C 3.5Å; K168-T173 VanDerWaalsContact O-CB 3.25Å; K168-T173 WeakPolarHBondContact O-CB 3.49Å; K168-T173 PolarHBondContact O-OG1 3.12Å; T170-T173 WeakPolarHBondContact CB-OG1 3.47Å; T170-T173 VanDerWaalsContact CG2-OG1 3.32Å; T170-T173 WeakPolarHBondContact CG2-OG1 3.21Å; T170-T173 PolarHBondContact N-O 3.21Å; T170-T173 VanDerWaalsContact N-O 3.13Å; T170-T173 PolarHBondContact N-OG1 3.28Å; T170-T173 VanDerWaalsContact N-OG1 3.14Å; T170-T173 VanDerWaalsContact O-O 3.05Å; T170-T173 WeakPolarHBondContact OG1-CB 3.45Å; T170-T173 WeakPolarHBondContact OG1-CG2 3.41Å; T170-T173 PolarHBondContact OG1-N 3.11Å; T170-T173 VanDerWaalsContact OG1-N 3.09Å; T170-T173 PolarHBondContact OG1-OG1 3.06Å
174	P	98.5	Very high	98.4	Very high	15 Å²	15	44.3 Å²	44.3	10%	0.097	24%	0.238	C	C	.	.	S	Bend	cis	-72.5	135.7	-2	29.1	-34.5	0	0	0	112.7	E137 L167 K168 I179 I220	E137-P174 WeakPolarHBondContact OE1-CA 3.36Å; L167-P174 HydrophobicContact CB-CB 4.33Å; L167-P174 HydrophobicContact CD2-CB 3.88Å; L167-P174 HydrophobicContact CD2-CG 4.45Å; K168-P174 WeakPolarHBondContact O-CD 3.3Å; P174-I179 HydrophobicContact CB-CD1 4.37Å; P174-I179 HydrophobicContact CB-CG1 3.99Å; P174-I179 HydrophobicContact CG-CD1 4.15Å; P174-I179 HydrophobicContact CG-CG1 4.2Å; P174-I220 HydrophobicContact CG-CD1 4.28Å; P174-I220 HydrophobicContact CG-CG2 3.53Å
175	S	98.7	Very high	98.4	Very high	30 Å²	30	44.3 Å²	44.3	21%	0.21	24%	0.239	C	C	.	.			trans	-72.4	162.2	175.2	72.8	0	0	0	0	111	E137 L177 A178 I179	E137-S175 PolarHBondContact OE1-N 2.96Å; E137-S175 WeakPolarHBondContact OE2-CB 3.38Å; E137-S175 PolarHBondContact OE2-OG 3.45Å; S175-L177 PolarHBondContact O-N 3.26Å; S175-L177 PolarHBondContact OG-N 3.06Å; S175-A178 PolarHBondContact O-N 3.45Å; S175-A178 PolarHBondContact OG-N 2.89Å; S175-I179 WeakPolarHBondContact O-CG1 3.49Å; S175-I179 PolarHBondContact O-N 3.05Å
176	K	98.6	Very high	98.5	Very high	166 Å²	166	44.3 Å²	44.3	72%	0.722	24%	0.239	S	C	*	.	H	α-helix	trans	-57.7	-36.4	172.9	-175.6	177.7	177.3	-177.3	0	111.7	L180	K176-L180 HydrophobicContact CD-CD1 4.44Å; K176-L180 HydrophobicContact CG-CD1 3.85Å; K176-L180 HydrophobicContact CG-CG 4.28Å; K176-L180 WeakPolarHBondContact O-CB 3.23Å; K176-L180 VanDerWaalsContact O-CG 3.28Å; K176-L180 WeakPolarHBondContact O-CG 3.45Å; K176-L180 PolarHBondContact O-N 3.15Å
177	L	98.8	Very high	98.5	Very high	93 Å²	93	43.7 Å²	43.7	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-51.9	177.1	176.3	58.4	0	0	0	110.7	T134 S175 I179 L180 E181	T134-L177 HydrophobicContact CG2-CD2 3.82Å; S175-L177 PolarHBondContact O-N 3.26Å; S175-L177 PolarHBondContact OG-N 3.06Å; L177-I179 VanDerWaalsContact C-N 3.34Å; L177-I179 PolarHBondContact O-N 2.98Å; L177-L180 PolarHBondContact O-N 2.9Å; L177-E181 VanDerWaalsContact O-CB 3.25Å; L177-E181 WeakPolarHBondContact O-CB 3.28Å; L177-E181 PolarHBondContact O-N 3.34Å
178	A	98.8	Very high	98.5	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-41	-179.7	0	0	0	0	0	112.5	L131 E137 S175 N182	L131-A178 HydrophobicContact CD1-CB 4.04Å; E137-A178 HydrophobicContact CB-CB 4.07Å; E137-A178 HydrophobicContact CG-CB 4.4Å; E137-A178 WeakPolarHBondContact OE1-CB 3.32Å; S175-A178 PolarHBondContact O-N 3.45Å; S175-A178 PolarHBondContact OG-N 2.89Å; A178-N182 VanDerWaalsContact O-CB 3.32Å; A178-N182 WeakPolarHBondContact O-CB 3.24Å; A178-N182 PolarHBondContact O-N 3.06Å; A178-N182 VanDerWaalsContact O-N 3.08Å; A178-N182 PolarHBondContact O-ND2 3.06Å
179	I	98.9	Very high	98.5	Very high	30 Å²	30	45.9 Å²	45.9	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-50.7	177.2	-65	173.5	0	0	0	111	L167 P174 S175 L177 A183 V224 A227	L167-I179 HydrophobicContact CD2-CG1 4.11Å; P174-I179 HydrophobicContact CB-CD1 4.37Å; P174-I179 HydrophobicContact CB-CG1 3.99Å; P174-I179 HydrophobicContact CG-CD1 4.15Å; P174-I179 HydrophobicContact CG-CG1 4.2Å; S175-I179 WeakPolarHBondContact O-CG1 3.49Å; S175-I179 PolarHBondContact O-N 3.05Å; L177-I179 VanDerWaalsContact C-N 3.34Å; L177-I179 PolarHBondContact O-N 2.98Å; I179-A183 VanDerWaalsContact O-CB 3.24Å; I179-A183 WeakPolarHBondContact O-CB 3.46Å; I179-A183 PolarHBondContact O-N 2.99Å; I179-V224 HydrophobicContact CD1-CG2 4.49Å; I179-V224 HydrophobicContact CG1-CG2 4.21Å; I179-A227 HydrophobicContact CG2-CB 3.39Å
180	L	98.9	Very high	98.6	Very high	97 Å²	97	45.6 Å²	45.6	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-68.1	-42.9	-175.5	-69.4	177.8	0	0	0	112.2	K176 L177 A183 N184	K176-L180 HydrophobicContact CD-CD1 4.44Å; K176-L180 HydrophobicContact CG-CD1 3.85Å; K176-L180 HydrophobicContact CG-CG 4.28Å; K176-L180 WeakPolarHBondContact O-CB 3.23Å; K176-L180 VanDerWaalsContact O-CG 3.28Å; K176-L180 WeakPolarHBondContact O-CG 3.45Å; K176-L180 PolarHBondContact O-N 3.15Å; L177-L180 PolarHBondContact O-N 2.9Å; L180-A183 PolarHBondContact O-N 2.87Å; L180-N184 VanDerWaalsContact O-CB 3.31Å; L180-N184 WeakPolarHBondContact O-CB 3.41Å; L180-N184 PolarHBondContact O-N 2.82Å
181	E	98.9	Very high	98.6	Very high	66 Å²	66	45 Å²	45	31%	0.308	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-47.5	-179	173.4	51.2	-151.5	0	0	111.5	L131 T139 L177 A183 N184 V185	L131-E181 HydrophobicContact CD2-CG 4.01Å; T139-E181 HydrophobicContact CG2-CG 4.24Å; T139-E181 WeakPolarHBondContact OG1-CG 3.36Å; T139-E181 PolarHBondContact OG1-OE1 3.09Å; T139-E181 VanDerWaalsContact OG1-OE1 3.11Å; L177-E181 VanDerWaalsContact O-CB 3.25Å; L177-E181 WeakPolarHBondContact O-CB 3.28Å; L177-E181 PolarHBondContact O-N 3.34Å; E181-A183 VanDerWaalsContact C-N 3.35Å; E181-A183 PolarHBondContact O-N 2.8Å; E181-N184 PolarHBondContact O-N 2.86Å; E181-V185 PolarHBondContact O-N 2.76Å
182	N	98.9	Very high	98.7	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-36.7	177.6	-76.6	-82.4	0	0	0	112.4	T138 C165 A178 V185 L186	T138-N182 PolarHBondContact O-ND2 3.46Å; C165-N182 HydrophobicContact CB-CB 3.95Å; C165-N182 WeakPolarHBondContact CB-OD1 3.22Å; C165-N182 PolarHBondContact SG-OD1 3.33Å; A178-N182 VanDerWaalsContact O-CB 3.32Å; A178-N182 WeakPolarHBondContact O-CB 3.24Å; A178-N182 PolarHBondContact O-N 3.06Å; A178-N182 VanDerWaalsContact O-N 3.08Å; A178-N182 PolarHBondContact O-ND2 3.06Å; N182-V185 WeakPolarHBondContact O-CG1 3.46Å; N182-L186 WeakPolarHBondContact O-CB 3.45Å; N182-L186 WeakPolarHBondContact O-CD1 3.41Å; N182-L186 VanDerWaalsContact O-CG 3.23Å; N182-L186 WeakPolarHBondContact O-CG 3.41Å; N182-L186 PolarHBondContact O-N 3.38Å; N182-L186 VanDerWaalsContact O-N 3.14Å
183	A	98.9	Very high	98.8	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-42.7	173.7	0	0	0	0	0	111.8	I179 L180 E181 A187 A227 V228 A231	I179-A183 VanDerWaalsContact O-CB 3.24Å; I179-A183 WeakPolarHBondContact O-CB 3.46Å; I179-A183 PolarHBondContact O-N 2.99Å; L180-A183 PolarHBondContact O-N 2.87Å; E181-A183 VanDerWaalsContact C-N 3.35Å; E181-A183 PolarHBondContact O-N 2.8Å; A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 2.54Å; A183-A187 VanDerWaalsContact O-N 3.08Å; A183-A227 HydrophobicContact CB-CB 4.18Å; A183-V228 HydrophobicContact CB-CG2 4.17Å; A183-A231 HydrophobicContact CB-CB 3.92Å; A183-A231 WeakPolarHBondContact O-CB 3.41Å
184	N	98.9	Very high	98.8	Very high	67 Å²	67	35 Å²	35	36%	0.358	17%	0.173	S	C	.	.	H	α-helix	trans	-67	-45.4	-179.8	-175.6	68.4	0	0	0	112.4	L180 E181 L186 A187 R188 H235	L180-N184 VanDerWaalsContact O-CB 3.31Å; L180-N184 WeakPolarHBondContact O-CB 3.41Å; L180-N184 PolarHBondContact O-N 2.82Å; E181-N184 PolarHBondContact O-N 2.86Å; N184-L186 VanDerWaalsContact C-N 3.35Å; N184-L186 PolarHBondContact O-N 3.2Å; N184-A187 PolarHBondContact O-N 3.05Å; N184-R188 WeakPolarHBondContact O-CG 3.3Å; N184-R188 PolarHBondContact O-N 3.02Å; N184-H235 PolarHBondContact OD1-NE2 3.08Å
185	V	98.9	Very high	98.8	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-38.3	178.5	70.4	0	0	0	0	112	T140 L143 W163 C165 E181 N182 A187 R188 Y189	T140-V185 WeakPolarHBondContact O-CG2 3.44Å; L143-V185 HydrophobicContact CD1-CG2 3.91Å; L143-V185 HydrophobicContact CD2-CG2 4.33Å; L143-V185 HydrophobicContact CG-CG2 4.04Å; W163-V185 HydrophobicContact CH2-CG2 4.43Å; W163-V185 HydrophobicContact CZ2-CG2 3.64Å; C165-V185 VanDerWaalsContact SG-CG1 3.6Å; E181-V185 PolarHBondContact O-N 2.76Å; N182-V185 WeakPolarHBondContact O-CG1 3.46Å; V185-A187 VanDerWaalsContact C-N 3.32Å; V185-A187 PolarHBondContact O-N 3.4Å; V185-R188 PolarHBondContact O-N 3.34Å; V185-Y189 WeakPolarHBondContact O-CB 3.35Å; V185-Y189 PolarHBondContact O-N 2.86Å
186	L	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-40.4	173.3	-78.4	169.2	0	0	0	111.9	W163 C165 N182 N184 Y189 A190 V202 P204 V228	W163-L186 HydrophobicContact CB-CD2 4.43Å; W163-L186 HydrophobicContact CG-CD2 4.31Å; C165-L186 HydrophobicContact CB-CD1 4.04Å; C165-L186 HydrophobicContact CB-CD2 4.47Å; C165-L186 HydrophobicContact CB-CG 4.25Å; N182-L186 WeakPolarHBondContact O-CB 3.45Å; N182-L186 WeakPolarHBondContact O-CD1 3.41Å; N182-L186 VanDerWaalsContact O-CG 3.23Å; N182-L186 WeakPolarHBondContact O-CG 3.41Å; N182-L186 PolarHBondContact O-N 3.38Å; N182-L186 VanDerWaalsContact O-N 3.14Å; N184-L186 VanDerWaalsContact C-N 3.35Å; N184-L186 PolarHBondContact O-N 3.2Å; L186-Y189 WeakPolarHBondContact O-CD1 2.96Å; L186-Y189 PolarHBondContact O-N 3.4Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.49Å; L186-V202 HydrophobicContact CB-CG1 4.09Å; L186-V202 HydrophobicContact CD1-CG1 3.92Å; L186-V202 HydrophobicContact CD2-CG1 3.91Å; L186-V202 HydrophobicContact CG-CG1 4.2Å; L186-P204 HydrophobicContact CD1-CB 3.84Å; L186-V228 HydrophobicContact CD1-CG2 4.19Å
187	A	98.9	Very high	98.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.5	-40.8	178.4	0	0	0	0	0	112.9	A183 N184 V185 A190 S191 A231 L232 H235	A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 2.54Å; A183-A187 VanDerWaalsContact O-N 3.08Å; N184-A187 PolarHBondContact O-N 3.05Å; V185-A187 VanDerWaalsContact C-N 3.32Å; V185-A187 PolarHBondContact O-N 3.4Å; A187-A190 PolarHBondContact O-N 3.08Å; A187-S191 WeakPolarHBondContact O-CB 3.37Å; A187-S191 PolarHBondContact O-N 3.15Å; A187-A231 HydrophobicContact CB-CB 3.85Å; A187-A231 WeakPolarHBondContact CB-O 3.28Å; A187-L232 HydrophobicContact CB-CD2 4.16Å; A187-H235 HydrophobicContact CB-CB 3.94Å
188	R	98.9	Very high	98.8	Very high	117 Å²	117	26.3 Å²	26.3	44%	0.442	13%	0.13	S	C	.	.	H	α-helix	trans	-59.6	-47.4	172	-71.2	-70.8	-65.2	169.2	-4.3	111.7	L143 N184 V185 I192 H235	L143-R188 HydrophobicContact CD1-CB 3.72Å; L143-R188 HydrophobicContact CD1-CG 4.26Å; L143-R188 HydrophobicContact CD2-CB 4.1Å; N184-R188 WeakPolarHBondContact O-CG 3.3Å; N184-R188 PolarHBondContact O-N 3.02Å; V185-R188 PolarHBondContact O-N 3.34Å; R188-I192 WeakPolarHBondContact O-CG1 3.42Å; R188-I192 PolarHBondContact O-N 3.3Å; R188-I192 VanDerWaalsContact O-N 3.14Å; R188-H235 WeakPolarHBondContact CD-CE1 3.45Å; R188-H235 WeakPolarHBondContact CD-ND1 3.36Å
189	Y	98.9	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.2	-50.8	174.8	150	-104.6	0	0	0	111.4	V124 L146 A161 K162 W163 V185 L186 S191 I192 C193 P200 I201	V124-Y189 HydrophobicContact CG2-CD2 3.84Å; V124-Y189 HydrophobicContact CG2-CE2 3.4Å; L146-Y189 HydrophobicContact CD2-CD2 4.01Å; A161-Y189 HydrophobicContact CB-CE2 4.14Å; A161-Y189 WeakPolarHBondContact CB-OH 3.39Å; A161-Y189 PolarHBondContact O-OH 3.25Å; K162-Y189 WeakPolarHBondContact CA-OH 3.31Å; K162-Y189 PolarHBondContact N-OH 2.87Å; W163-Y189 HydrophobicContact CB-CD1 3.41Å; W163-Y189 VanDerWaalsContact CB-CD1 3.41Å; W163-Y189 HydrophobicContact CB-CD2 3.71Å; W163-Y189 HydrophobicContact CB-CE1 3.39Å; W163-Y189 HydrophobicContact CB-CE2 3.7Å; W163-Y189 HydrophobicContact CB-CG 3.56Å; W163-Y189 HydrophobicContact CD2-CD2 4.02Å; W163-Y189 AromaticContact CD2-CG 3.88Å; W163-Y189 HydrophobicContact CD2-CG 3.88Å; W163-Y189 AromaticContact CE3-CD2 3.49Å; W163-Y189 HydrophobicContact CE3-CD2 3.49Å; W163-Y189 VanDerWaalsContact CE3-CD2 3.49Å; W163-Y189 HydrophobicContact CE3-CE2 4.27Å; W163-Y189 AromaticContact CE3-CG 3.77Å; W163-Y189 HydrophobicContact CE3-CG 3.77Å; W163-Y189 AromaticContact CG-CD1 3.98Å; W163-Y189 HydrophobicContact CG-CD1 3.98Å; W163-Y189 HydrophobicContact CG-CD2 4.16Å; W163-Y189 HydrophobicContact CG-CE1 4.42Å; W163-Y189 AromaticContact CG-CG 3.83Å; W163-Y189 HydrophobicContact CG-CG 3.83Å; W163-Y189 HydrophobicContact CZ3-CD2 4.37Å; V185-Y189 WeakPolarHBondContact O-CB 3.35Å; V185-Y189 PolarHBondContact O-N 2.86Å; L186-Y189 WeakPolarHBondContact O-CD1 2.96Å; L186-Y189 PolarHBondContact O-N 3.4Å; Y189-S191 PolarHBondContact O-N 3.35Å; Y189-I192 PolarHBondContact O-N 2.79Å; Y189-C193 WeakPolarHBondContact CE2-SG 3.41Å; Y189-C193 PolarHBondContact O-N 3.15Å; Y189-C193 PolarHBondContact O-SG 3.25Å; Y189-P200 HydrophobicContact CD1-CB 4.36Å; Y189-P200 HydrophobicContact CE1-CB 3.56Å; Y189-P200 WeakPolarHBondContact OH-CA 3.48Å; Y189-I201 PolarHBondContact OH-N 3.3Å; Y189-I201 PolarHBondContact OH-O 3.34Å
190	A	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-43.2	-176.7	0	0	0	0	0	112.3	L186 A187 C193 Q194 P200 V202 L232 V237	L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.49Å; A187-A190 PolarHBondContact O-N 3.08Å; A190-C193 PolarHBondContact O-N 3.4Å; A190-Q194 WeakPolarHBondContact O-CG 3.45Å; A190-Q194 PolarHBondContact O-N 3.08Å; A190-Q194 VanDerWaalsContact O-N 3.11Å; A190-P200 HydrophobicContact CB-CB 3.88Å; A190-P200 HydrophobicContact CB-CG 3.68Å; A190-V202 HydrophobicContact CB-CG2 4.39Å; A190-L232 HydrophobicContact CB-CD2 3.9Å; A190-V237 HydrophobicContact CB-CG1 4.08Å; A190-V237 HydrophobicContact CB-CG2 3.9Å
191	S	98.8	Very high	98.8	Very high	21 Å²	21	20.2 Å²	20.2	15%	0.147	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-48.6	175.4	-179.8	0	0	0	0	111.7	A187 Y189 C193 Q194 M195	A187-S191 WeakPolarHBondContact O-CB 3.37Å; A187-S191 PolarHBondContact O-N 3.15Å; Y189-S191 PolarHBondContact O-N 3.35Å; S191-C193 PolarHBondContact O-N 2.72Å; S191-Q194 PolarHBondContact O-N 3.18Å; S191-M195 WeakPolarHBondContact O-CG 3.42Å; S191-M195 PolarHBondContact O-N 3Å
192	I	98.8	Very high	98.8	Very high	19 Å²	19	17.2 Å²	17.2	10%	0.097	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-40.1	179.3	-66.9	165.4	0	0	0	111.8	L143 L146 R188 Y189 M195	L143-I192 HydrophobicContact CD2-CD1 4.34Å; L146-I192 HydrophobicContact CB-CD1 4.48Å; L146-I192 HydrophobicContact CB-CG2 4.17Å; L146-I192 HydrophobicContact CD2-CB 4.08Å; L146-I192 HydrophobicContact CD2-CD1 4.08Å; L146-I192 HydrophobicContact CD2-CG2 3.94Å; L146-I192 HydrophobicContact CG-CB 4.43Å; L146-I192 HydrophobicContact CG-CG2 3.74Å; R188-I192 WeakPolarHBondContact O-CG1 3.42Å; R188-I192 PolarHBondContact O-N 3.3Å; R188-I192 VanDerWaalsContact O-N 3.14Å; Y189-I192 PolarHBondContact O-N 2.79Å; I192-M195 PolarHBondContact O-N 3.25Å
193	C	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-45.7	176.1	-74.2	0	0	0	0	112.3	C150 Y189 A190 S191 M195 H196 G197 I198 P200	C150-C193 VanDerWaalsContact SG-SG 3.68Å; Y189-C193 WeakPolarHBondContact CE2-SG 3.41Å; Y189-C193 PolarHBondContact O-N 3.15Å; Y189-C193 PolarHBondContact O-SG 3.25Å; A190-C193 PolarHBondContact O-N 3.4Å; S191-C193 PolarHBondContact O-N 2.72Å; C193-M195 VanDerWaalsContact C-N 3.28Å; C193-M195 PolarHBondContact O-N 3.11Å; C193-H196 CarbonylContact O-C 3.48Å; C193-H196 PolarHBondContact O-N 3.02Å; C193-G197 PolarHBondContact O-N 3.28Å; C193-I198 CarbonylContact C-O 3.53Å; C193-I198 VanDerWaalsContact C-O 3.22Å; C193-I198 HydrophobicContact CB-CB 4.2Å; C193-I198 HydrophobicContact CB-CG2 4.07Å; C193-I198 WeakPolarHBondContact CB-O 3.29Å; C193-I198 PolarHBondContact O-N 2.97Å; C193-P200 HydrophobicContact CB-CB 3.97Å; C193-P200 HydrophobicContact CB-CG 4.35Å
194	Q	98.8	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.3	-32.1	-178	-70.8	-170.9	-26.5	0	0	112.7	F22 L23 L31 A190 S191 H196 G197 P200 Y238 G241	F22-Q194 HydrophobicContact CE2-CB 4.1Å; F22-Q194 HydrophobicContact CZ-CB 4.49Å; L23-Q194 HydrophobicContact CD1-CB 4.31Å; L23-Q194 HydrophobicContact CD2-CB 4.39Å; L23-Q194 WeakPolarHBondContact CD2-O 3.42Å; L31-Q194 HydrophobicContact CD1-CB 3.91Å; L31-Q194 HydrophobicContact CD1-CG 3.88Å; L31-Q194 HydrophobicContact CD2-CG 4.48Å; A190-Q194 WeakPolarHBondContact O-CG 3.45Å; A190-Q194 PolarHBondContact O-N 3.08Å; A190-Q194 VanDerWaalsContact O-N 3.11Å; S191-Q194 PolarHBondContact O-N 3.18Å; Q194-H196 PolarHBondContact O-N 3.21Å; Q194-H196 VanDerWaalsContact O-N 3.11Å; Q194-G197 PolarHBondContact O-N 3.38Å; Q194-P200 HydrophobicContact CG-CG 4.2Å; Q194-Y238 PolarHBondContact NE2-O 3.09Å; Q194-G241 PolarHBondContact NE2-O 3.46Å; Q194-G241 VanDerWaalsContact NE2-O 3.08Å
195	M	98.1	Very high	98.8	Very high	83 Å²	83	14.2 Å²	14.2	41%	0.409	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.6	173	-69.3	178	75.1	0	0	113.7	F22 Y147 S191 I192 C193	F22-M195 HydrophobicContact CD2-CG 4.08Å; F22-M195 HydrophobicContact CE2-CG 4.32Å; Y147-M195 HydrophobicContact CD2-CE 4.26Å; Y147-M195 HydrophobicContact CD2-SD 4.41Å; Y147-M195 HydrophobicContact CE2-CB 4.37Å; Y147-M195 HydrophobicContact CE2-CE 3.51Å; Y147-M195 HydrophobicContact CE2-SD 4.15Å; S191-M195 WeakPolarHBondContact O-CG 3.42Å; S191-M195 PolarHBondContact O-N 3Å; I192-M195 PolarHBondContact O-N 3.25Å; C193-M195 VanDerWaalsContact C-N 3.28Å; C193-M195 PolarHBondContact O-N 3.11Å
196	H	98.4	Very high	98.8	Very high	32 Å²	32	14.1 Å²	14.1	15%	0.148	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	21.4	-179.8	-69.9	-55.8	0	0	0	113.7	Y147 C150 K154 C193 Q194 I198	Y147-H196 AromaticContact CD1-NE2 3.44Å; Y147-H196 WeakPolarHBondContact CD1-NE2 3.36Å; Y147-H196 AromaticContact CD2-CD2 3.91Å; Y147-H196 AromaticContact CD2-NE2 3.1Å; Y147-H196 WeakPolarHBondContact CD2-NE2 3.36Å; Y147-H196 AromaticContact CE1-CE1 3.56Å; Y147-H196 AromaticContact CE1-NE2 3.41Å; Y147-H196 WeakPolarHBondContact CE1-NE2 3.34Å; Y147-H196 AromaticContact CE2-CE1 3.53Å; Y147-H196 AromaticContact CE2-NE2 3.04Å; Y147-H196 WeakPolarHBondContact CE2-NE2 3.42Å; Y147-H196 AromaticContact CG-NE2 3.28Å; Y147-H196 VanDerWaalsContact CG-NE2 3.28Å; Y147-H196 AromaticContact CZ-CE1 3.28Å; Y147-H196 AromaticContact CZ-NE2 3.21Å; Y147-H196 PolarHBondContact O-CD2 3.07Å; Y147-H196 PolarHBondContact O-NE2 2.92Å; C150-H196 HydrophobicContact CB-CB 3.99Å; K154-H196 WeakPolarHBondContact CG-O 3.23Å; C193-H196 CarbonylContact O-C 3.48Å; C193-H196 PolarHBondContact O-N 3.02Å; Q194-H196 PolarHBondContact O-N 3.21Å; Q194-H196 VanDerWaalsContact O-N 3.11Å; H196-I198 PolarHBondContact O-N 3.08Å
197	G	98.6	Very high	98.7	Very high	6 Å²	6	14.6 Å²	14.6	6%	0.062	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	27.3	177.4	0	0	0	0	0	113.1	K154 C193 Q194	K154-G197 WeakPolarHBondContact CE-O 3.38Å; K154-G197 PolarHBondContact NZ-O 3.4Å; C193-G197 PolarHBondContact O-N 3.28Å; Q194-G197 PolarHBondContact O-N 3.38Å
198	I	98.9	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.			trans	-107	125	175.1	-68.5	-153.6	0	0	0	108.9	K154 A158 D159 F160 A161 C193 H196 P200	K154-I198 HydrophobicContact CB-CD1 4.21Å; K154-I198 HydrophobicContact CB-CG1 4.2Å; K154-I198 HydrophobicContact CD-CG1 4.13Å; A158-I198 HydrophobicContact CB-CD1 4.42Å; D159-I198 WeakPolarHBondContact O-CA 3.39Å; F160-I198 VanDerWaalsContact C-CG2 3.46Å; A161-I198 HydrophobicContact CB-CG2 3.52Å; C193-I198 CarbonylContact C-O 3.53Å; C193-I198 VanDerWaalsContact C-O 3.22Å; C193-I198 HydrophobicContact CB-CB 4.2Å; C193-I198 HydrophobicContact CB-CG2 4.07Å; C193-I198 WeakPolarHBondContact CB-O 3.29Å; C193-I198 PolarHBondContact O-N 2.97Å; H196-I198 PolarHBondContact O-N 3.08Å; I198-P200 VanDerWaalsContact O-CD 3.31Å; I198-P200 WeakPolarHBondContact O-CD 3.45Å
199	V	98.9	Very high	98.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.6	173.8	172.6	0	0	0	0	109.8	L31 I34 A35 D159 F160 A161 L243	L31-V199 HydrophobicContact CB-CG2 4.32Å; L31-V199 HydrophobicContact CD2-CG2 3.89Å; L31-V199 WeakPolarHBondContact O-CG2 3.14Å; I34-V199 HydrophobicContact CB-CG2 3.73Å; I34-V199 HydrophobicContact CG2-CB 4.23Å; I34-V199 HydrophobicContact CG2-CG2 3.56Å; A35-V199 HydrophobicContact CB-CG1 4.04Å; A35-V199 HydrophobicContact CB-CG2 4.31Å; D159-V199 PolarHBondContact O-N 3.07Å; F160-V199 CarbonylContact C-O 3.55Å; F160-V199 WeakPolarHBondContact CA-O 3.39Å; F160-V199 HydrophobicContact CB-CB 3.87Å; F160-V199 HydrophobicContact CB-CG1 4.45Å; F160-V199 VanDerWaalsContact CB-O 3.25Å; F160-V199 WeakPolarHBondContact CB-O 3.42Å; A161-V199 PolarHBondContact N-O 3.27Å; V199-L243 HydrophobicContact CG1-CG 4.44Å
200	P	98.9	Very high	98.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127	176	31.4	-32.4	0	0	0	111.7	Y189 A190 C193 Q194 I198 G241 T242 L243	Y189-P200 HydrophobicContact CD1-CB 4.36Å; Y189-P200 HydrophobicContact CE1-CB 3.56Å; Y189-P200 WeakPolarHBondContact OH-CA 3.48Å; A190-P200 HydrophobicContact CB-CB 3.88Å; A190-P200 HydrophobicContact CB-CG 3.68Å; C193-P200 HydrophobicContact CB-CB 3.97Å; C193-P200 HydrophobicContact CB-CG 4.35Å; Q194-P200 HydrophobicContact CG-CG 4.2Å; I198-P200 VanDerWaalsContact O-CD 3.31Å; I198-P200 WeakPolarHBondContact O-CD 3.45Å; P200-G241 WeakPolarHBondContact CD-O 3.48Å; P200-T242 HydrophobicContact CG-CG2 3.87Å; P200-L243 PolarHBondContact O-N 3.25Å; P200-L243 VanDerWaalsContact O-N 3.08Å
201	I	98.9	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.6	162	-56.7	-170.8	0	0	0	108.1	I45 I93 F160 A161 K162 W163 Y189 L243 K245	I45-I201 HydrophobicContact CD1-CD1 3.54Å; I93-I201 HydrophobicContact CD1-CD1 4.42Å; F160-I201 HydrophobicContact CD2-CD1 3.46Å; F160-I201 VanDerWaalsContact CD2-CD1 3.46Å; F160-I201 HydrophobicContact CD2-CG1 3.88Å; F160-I201 HydrophobicContact CE2-CD1 3.5Å; F160-I201 VanDerWaalsContact CE2-CD1 3.5Å; F160-I201 HydrophobicContact CE2-CG1 4.41Å; A161-I201 VanDerWaalsContact O-CB 3.29Å; A161-I201 WeakPolarHBondContact O-CB 3.16Å; A161-I201 WeakPolarHBondContact O-CG1 3.49Å; A161-I201 PolarHBondContact O-N 2.95Å; K162-I201 HydrophobicContact CG-CB 4.35Å; K162-I201 HydrophobicContact CG-CG2 4.39Å; W163-I201 PolarHBondContact N-O 2.78Å; Y189-I201 PolarHBondContact OH-N 3.3Å; Y189-I201 PolarHBondContact OH-O 3.34Å; I201-L243 WeakPolarHBondContact CA-O 3.44Å; I201-L243 HydrophobicContact CD1-CD1 4.32Å; I201-L243 HydrophobicContact CG1-CB 4.17Å; I201-L243 HydrophobicContact CG1-CD1 4.3Å; I201-K245 HydrophobicContact CG2-CB 3.44Å; I201-K245 VanDerWaalsContact CG2-CB 3.44Å; I201-K245 HydrophobicContact CG2-CD 4.14Å; I201-K245 HydrophobicContact CG2-CG 4.44Å
202	V	98.9	Very high	98.4	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112	179.3	-178.6	0	0	0	0	108.5	L186 A190 P204 V228 L232 L243 L244 K245	L186-V202 HydrophobicContact CB-CG1 4.09Å; L186-V202 HydrophobicContact CD1-CG1 3.92Å; L186-V202 HydrophobicContact CD2-CG1 3.91Å; L186-V202 HydrophobicContact CG-CG1 4.2Å; A190-V202 HydrophobicContact CB-CG2 4.39Å; V202-P204 WeakPolarHBondContact O-CD 3.43Å; V202-V228 HydrophobicContact CG1-CG1 3.87Å; V202-L232 HydrophobicContact CG2-CD1 4.49Å; V202-L232 HydrophobicContact CG2-CD2 4.28Å; V202-L243 PolarHBondContact N-O 3.11Å; V202-L244 HydrophobicContact CB-CD1 4.43Å; V202-L244 HydrophobicContact CG1-CD1 4.4Å; V202-K245 PolarHBondContact O-N 2.93Å
203	E	98.9	Very high	98.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	85.2	-176.9	179.6	174.8	-150.4	0	0	111.8	K162 W163 R164 C165 E205 K245 L286	K162-E203 WeakPolarHBondContact CD-OE2 3.16Å; K162-E203 WeakPolarHBondContact CE-OE2 3.38Å; K162-E203 IonicContact NZ-OE2 3.29Å; K162-E203 PolarHBondContact NZ-OE2 2.83Å; W163-E203 WeakPolarHBondContact O-CB 3.28Å; W163-E203 PolarHBondContact O-N 3.33Å; W163-E203 VanDerWaalsContact O-N 3.16Å; R164-E203 HydrophobicContact CB-CB 4.47Å; R164-E203 HydrophobicContact CB-CG 4.23Å; R164-E203 WeakPolarHBondContact CB-OE2 3.34Å; R164-E203 HydrophobicContact CG-CG 4.01Å; C165-E203 PolarHBondContact N-O 2.82Å; E203-E205 PolarHBondContact O-N 3.05Å; E203-K245 VanDerWaalsContact CA-O 3.32Å; E203-K245 WeakPolarHBondContact CA-O 3.4Å; E203-K245 HydrophobicContact CB-CB 4.01Å; E203-K245 HydrophobicContact CB-CD 4.32Å; E203-K245 HydrophobicContact CB-CG 4.16Å; E203-K245 VanDerWaalsContact CD-NZ 3.35Å; E203-K245 HydrophobicContact CG-CB 4.26Å; E203-K245 HydrophobicContact CG-CD 4.08Å; E203-K245 HydrophobicContact CG-CG 3.88Å; E203-K245 WeakPolarHBondContact CG-O 3.5Å; E203-K245 WeakPolarHBondContact OE1-CD 3.17Å; E203-K245 WeakPolarHBondContact OE1-CE 3.41Å; E203-K245 IonicContact OE1-NZ 2.67Å; E203-K245 PolarHBondContact OE1-NZ 3.41Å; E203-K245 IonicContact OE2-NZ 2.68Å; E203-K245 PolarHBondContact OE2-NZ 3.29Å; E203-L286 HydrophobicContact CG-CD2 4.12Å
204	P	98.7	Very high	98.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.013	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	77.5	172	34.7	-31.8	0	0	0	110.2	L186 V202 I206 V224 L225 V228 L244	L186-P204 HydrophobicContact CD1-CB 3.84Å; V202-P204 WeakPolarHBondContact O-CD 3.43Å; P204-I206 PolarHBondContact O-N 2.91Å; P204-V224 HydrophobicContact CB-CG1 4.09Å; P204-L225 HydrophobicContact CG-CD2 3.85Å; P204-V228 HydrophobicContact CB-CG2 4.02Å; P204-V228 HydrophobicContact CG-CG2 4.28Å; P204-L244 HydrophobicContact CG-CD1 4.09Å
205	E	98.7	Very high	98.3	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.1	-176.5	-178	174.5	176.7	0	0	111.6	R164 C165 V166 L167 E203 L207 L286	R164-E205 IonicContact CZ-OE2 2.64Å; R164-E205 IonicContact NE-OE2 2.6Å; R164-E205 PolarHBondContact NE-OE2 3.12Å; R164-E205 VanDerWaalsContact NH2-CD 3.32Å; R164-E205 IonicContact NH2-OE1 2.71Å; R164-E205 IonicContact NH2-OE2 2.66Å; R164-E205 PolarHBondContact NH2-OE2 2.58Å; C165-E205 PolarHBondContact O-N 2.97Å; V166-E205 CarbonylContact C-O 3.21Å; V166-E205 WeakPolarHBondContact CA-O 3.29Å; L167-E205 PolarHBondContact N-O 2.84Å; E203-E205 PolarHBondContact O-N 3.05Å; E205-L207 HydrophobicContact CG-CD2 4.27Å; E205-L286 HydrophobicContact CB-CD2 3.65Å; E205-L286 HydrophobicContact CG-CD1 4.1Å; E205-L286 HydrophobicContact CG-CD2 3.58Å
206	I	98.7	Very high	98.3	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.5	164	-58.2	156.2	0	0	0	107.9	L167 I169 P204 I220 T221 V224 N247	L167-I206 HydrophobicContact CB-CG1 4.23Å; L167-I206 HydrophobicContact CD1-CG1 4.47Å; L167-I206 WeakPolarHBondContact O-CA 3.45Å; I169-I206 HydrophobicContact CD1-CG2 3.62Å; I169-I206 HydrophobicContact CG1-CG2 3.64Å; P204-I206 PolarHBondContact O-N 2.91Å; I206-I220 HydrophobicContact CD1-CG2 4.01Å; I206-I220 HydrophobicContact CG1-CG2 4.45Å; I206-I220 HydrophobicContact CG2-CG2 4.32Å; I206-T221 VanDerWaalsContact CD1-CA 3.48Å; I206-V224 HydrophobicContact CD1-CB 4.09Å; I206-V224 HydrophobicContact CD1-CG1 4.45Å; I206-V224 HydrophobicContact CD1-CG2 4Å; I206-V224 HydrophobicContact CG1-CG2 4.28Å; I206-N247 WeakPolarHBondContact CB-OD1 3.5Å; I206-N247 PolarHBondContact N-OD1 3.43Å
207	L	97.9	Very high	98.4	Very high	10 Å²	10	27 Å²	27	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.2	-176.4	-65.5	179.4	0	0	0	111.7	V166 L167 E205 D209	V166-L207 HydrophobicContact CG1-CD1 3.57Å; V166-L207 HydrophobicContact CG1-CD2 3.91Å; V166-L207 HydrophobicContact CG1-CG 3.57Å; L167-L207 PolarHBondContact O-N 2.87Å; E205-L207 HydrophobicContact CG-CD2 4.27Å; L207-D209 HydrophobicContact CB-CB 4.41Å; L207-D209 PolarHBondContact O-N 3.5Å
208	P	96.6	Very high	98.4	Very high	24 Å²	24	28.4 Å²	28.4	16%	0.156	14%	0.144	C	C	.	.			trans	-77.1	0.6	174	33.9	-35.4	0	0	0	112.7	G210 G252 H253 F372	P208-G210 PolarHBondContact O-N 2.71Å; P208-G252 CarbonylContact O-C 3.57Å; P208-G252 WeakPolarHBondContact O-CA 3.4Å; P208-H253 PolarHBondContact O-N 2.95Å; P208-F372 HydrophobicContact CG-CD2 4.09Å; P208-F372 HydrophobicContact CG-CE2 4.03Å
209	D	97.3	Very high	98.4	Very high	12 Å²	12	34 Å²	34	6%	0.064	17%	0.166	C	C	.	.			trans	-55.1	132.8	176	-68	-113.4	0	0	0	112.1	L207 H212 F372 A374 N375	L207-D209 HydrophobicContact CB-CB 4.41Å; L207-D209 PolarHBondContact O-N 3.5Å; D209-H212 PolarHBondContact O-CE1 2.89Å; D209-H212 VanDerWaalsContact O-CE1 3.29Å; D209-H212 PolarHBondContact O-ND1 3.35Å; D209-F372 WeakPolarHBondContact OD1-CZ 3.47Å; D209-A374 WeakPolarHBondContact OD1-CA 3.44Å; D209-N375 PolarHBondContact OD1-N 3.12Å
210	G	96.4	Very high	98.4	Very high	29 Å²	29	34.3 Å²	34.3	30%	0.299	17%	0.168	S	C	.	.	S	Bend	trans	115	-176.1	176.2	0	0	0	0	0	114.2	P208 G252 H253 S254	P208-G210 PolarHBondContact O-N 2.71Å; G210-G252 CarbonylContact O-C 3.5Å; G210-G252 VanDerWaalsContact O-CA 3.29Å; G210-G252 WeakPolarHBondContact O-CA 3.44Å; G210-H253 PolarHBondContact O-N 2.83Å; G210-S254 WeakPolarHBondContact O-CB 3.44Å; G210-S254 PolarHBondContact O-N 3.47Å
211	D	97.8	Very high	98.4	Very high	125 Å²	125	34.5 Å²	34.5	67%	0.668	17%	0.169	S	C	*	.	S	Bend	trans	-106.4	5.5	-176	63.1	-16.4	0	0	0	113.5
212	H	98.5	Very high	98.4	Very high	16 Å²	16	36.2 Å²	36.2	7%	0.074	18%	0.177	C	C	.	.			trans	-59.6	147.8	-177.7	60.4	-94.8	0	0	0	112.6	I169 D209 R216 G252	I169-H212 HydrophobicContact CG2-CB 3.91Å; D209-H212 PolarHBondContact O-CE1 2.89Å; D209-H212 VanDerWaalsContact O-CE1 3.29Å; D209-H212 PolarHBondContact O-ND1 3.35Å; H212-R216 HydrophobicContact CB-CB 4.14Å; H212-R216 HydrophobicContact CB-CG 3.9Å; H212-G252 PolarHBondContact CD2-N 3.06Å; H212-G252 VanDerWaalsContact CE1-CA 3.49Å; H212-G252 WeakPolarHBondContact CE1-CA 3.04Å; H212-G252 WeakPolarHBondContact NE2-CA 3.41Å; H212-G252 PolarHBondContact NE2-N 3.17Å; H212-G252 PolarHBondContact O-N 3.35Å
213	D	98.4	Very high	98.4	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	20%	0.198	S	C	.	.			trans	-81.6	173.1	-179.4	77.3	-5.6	0	0	0	112.9	K215 R216 C217	D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 PolarHBondContact O-N 2.91Å; D213-K215 PolarHBondContact OD1-N 3.48Å; D213-R216 PolarHBondContact O-N 3.46Å; D213-R216 WeakPolarHBondContact OD1-CB 3.39Å; D213-R216 PolarHBondContact OD1-N 2.8Å; D213-C217 PolarHBondContact O-N 3.48Å
214	L	98.6	Very high	98.4	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-38.9	-179.9	-174.8	68.6	0	0	0	111.9	C217 Q218 V249 Y259 E263 I264 A267	L214-C217 PolarHBondContact O-N 2.95Å; L214-Q218 PolarHBondContact O-N 3.49Å; L214-V249 HydrophobicContact CD1-CG1 3.96Å; L214-V249 WeakPolarHBondContact CD1-O 3.4Å; L214-Y259 HydrophobicContact CB-CD1 3.92Å; L214-Y259 HydrophobicContact CB-CD2 3.86Å; L214-Y259 HydrophobicContact CB-CE1 3.67Å; L214-Y259 HydrophobicContact CB-CE2 3.63Å; L214-Y259 HydrophobicContact CB-CG 3.99Å; L214-Y259 HydrophobicContact CD2-CD1 3.6Å; L214-Y259 HydrophobicContact CD2-CE1 4.03Å; L214-Y259 HydrophobicContact CD2-CG 3.89Å; L214-Y259 HydrophobicContact CG-CD1 4.38Å; L214-Y259 HydrophobicContact CG-CG 4.44Å; L214-E263 HydrophobicContact CD2-CB 4.03Å; L214-I264 HydrophobicContact CD1-CG1 4.31Å; L214-A267 HydrophobicContact CD1-CB 4.2Å; L214-A267 HydrophobicContact CD2-CB 4.02Å; L214-A267 HydrophobicContact CG-CB 4.03Å
215	K	98.6	Very high	98.4	Very high	158 Å²	158	41.2 Å²	41.2	69%	0.687	20%	0.199	S	C	*	.	H	α-helix	trans	-66.1	-40	-179	-68.3	177.7	-179.7	173.2	0	111.5	D213 Q218 Y219	D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 PolarHBondContact O-N 2.91Å; D213-K215 PolarHBondContact OD1-N 3.48Å; K215-Q218 PolarHBondContact O-N 2.98Å; K215-Y219 WeakPolarHBondContact O-CB 3.22Å; K215-Y219 PolarHBondContact O-N 3.44Å
216	R	98.6	Very high	98.4	Very high	92 Å²	92	43.2 Å²	43.2	35%	0.347	22%	0.216	S	C	.	.	H	α-helix	trans	-63.8	-44.9	175.5	179.6	58.7	175.2	-169.6	-2.1	110.9	I169 H212 D213 Q218 Y219 I220	I169-R216 HydrophobicContact CG2-CG 3.96Å; H212-R216 HydrophobicContact CB-CB 4.14Å; H212-R216 HydrophobicContact CB-CG 3.9Å; D213-R216 PolarHBondContact O-N 3.46Å; D213-R216 WeakPolarHBondContact OD1-CB 3.39Å; D213-R216 PolarHBondContact OD1-N 2.8Å; R216-Q218 VanDerWaalsContact C-N 3.33Å; R216-Q218 PolarHBondContact O-N 2.89Å; R216-Y219 PolarHBondContact O-N 3.44Å; R216-I220 WeakPolarHBondContact O-CG1 3.45Å; R216-I220 PolarHBondContact O-N 3.06Å
217	C	98.8	Very high	98.4	Very high	4 Å²	4	44 Å²	44	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-43.6	174.6	-175.5	0	0	0	0	111.6	I169 D213 L214 Y219 I220 T221 V249 T250	I169-C217 HydrophobicContact CD1-CB 4.34Å; D213-C217 PolarHBondContact O-N 3.48Å; L214-C217 PolarHBondContact O-N 2.95Å; C217-Y219 PolarHBondContact O-N 2.88Å; C217-I220 PolarHBondContact O-N 3.09Å; C217-T221 VanDerWaalsContact O-CB 3.31Å; C217-T221 WeakPolarHBondContact O-CB 3.49Å; C217-T221 PolarHBondContact O-N 2.74Å; C217-T221 PolarHBondContact O-OG1 2.91Å; C217-V249 HydrophobicContact CB-CG1 4.16Å; C217-T250 WeakPolarHBondContact CB-O 3.43Å; C217-T250 PolarHBondContact SG-O 3.31Å
218	Q	98.9	Very high	98.5	Very high	35 Å²	35	43.6 Å²	43.6	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-49.4	176.7	-166.5	-176.6	-27.5	0	0	111.5	L214 K215 R216 I220 T221 E222 V249 A271	L214-Q218 PolarHBondContact O-N 3.49Å; K215-Q218 PolarHBondContact O-N 2.98Å; R216-Q218 VanDerWaalsContact C-N 3.33Å; R216-Q218 PolarHBondContact O-N 2.89Å; Q218-I220 PolarHBondContact O-N 3.22Å; Q218-T221 PolarHBondContact O-N 2.89Å; Q218-E222 PolarHBondContact NE2-OE1 3.01Å; Q218-E222 WeakPolarHBondContact O-CG 3.35Å; Q218-E222 PolarHBondContact O-N 3.23Å; Q218-V249 HydrophobicContact CB-CG1 3.68Å; Q218-V249 HydrophobicContact CG-CG1 4.25Å; Q218-A271 HydrophobicContact CG-CB 4.1Å
219	Y	98.9	Very high	98.6	Very high	117 Å²	117	43.2 Å²	43.2	46%	0.459	22%	0.217	S	C	.	.	H	α-helix	trans	-57.3	-48.6	179.2	172.7	-95.1	0	0	0	111.6	K215 R216 C217 E222 K223	K215-Y219 WeakPolarHBondContact O-CB 3.22Å; K215-Y219 PolarHBondContact O-N 3.44Å; R216-Y219 PolarHBondContact O-N 3.44Å; C217-Y219 PolarHBondContact O-N 2.88Å; Y219-E222 PolarHBondContact O-N 3.44Å; Y219-K223 HydrophobicContact CE1-CG 4.08Å; Y219-K223 VanDerWaalsContact CE2-CE 3.42Å; Y219-K223 HydrophobicContact CE2-CG 4.31Å; Y219-K223 WeakPolarHBondContact O-CG 3.33Å; Y219-K223 PolarHBondContact O-N 3.37Å; Y219-K223 VanDerWaalsContact O-N 3.11Å; Y219-K223 WeakPolarHBondContact OH-CE 3.25Å
220	I	98.9	Very high	98.7	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-41	-179.9	-64.5	-58.4	0	0	0	111.1	I169 P174 I206 R216 C217 Q218 E222 K223 V224	I169-I220 HydrophobicContact CD1-CB 4.07Å; I169-I220 HydrophobicContact CD1-CG1 4.2Å; I169-I220 HydrophobicContact CD1-CG2 4.26Å; I169-I220 HydrophobicContact CG1-CB 4.32Å; I169-I220 HydrophobicContact CG1-CG1 4.23Å; I169-I220 HydrophobicContact CG1-CG2 4.1Å; P174-I220 HydrophobicContact CG-CD1 4.28Å; P174-I220 HydrophobicContact CG-CG2 3.53Å; I206-I220 HydrophobicContact CD1-CG2 4.01Å; I206-I220 HydrophobicContact CG1-CG2 4.45Å; I206-I220 HydrophobicContact CG2-CG2 4.32Å; R216-I220 WeakPolarHBondContact O-CG1 3.45Å; R216-I220 PolarHBondContact O-N 3.06Å; C217-I220 PolarHBondContact O-N 3.09Å; Q218-I220 PolarHBondContact O-N 3.22Å; I220-E222 VanDerWaalsContact C-N 3.32Å; I220-E222 PolarHBondContact O-N 3.26Å; I220-K223 PolarHBondContact O-N 3.42Å; I220-V224 HydrophobicContact CG2-CG2 4.11Å; I220-V224 WeakPolarHBondContact O-CG2 3.46Å; I220-V224 PolarHBondContact O-N 3.28Å
221	T	98.9	Very high	98.8	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-45.9	174.9	-59.4	0	0	0	0	111.2	I206 C217 Q218 K223 V224 L225 V249 A271	I206-T221 VanDerWaalsContact CD1-CA 3.48Å; C217-T221 VanDerWaalsContact O-CB 3.31Å; C217-T221 WeakPolarHBondContact O-CB 3.49Å; C217-T221 PolarHBondContact O-N 2.74Å; C217-T221 PolarHBondContact O-OG1 2.91Å; Q218-T221 PolarHBondContact O-N 2.89Å; T221-K223 PolarHBondContact O-N 3.04Å; T221-V224 PolarHBondContact O-N 3.5Å; T221-L225 HydrophobicContact CG2-CD1 3.85Å; T221-L225 HydrophobicContact CG2-CG 4.21Å; T221-L225 WeakPolarHBondContact O-CB 3.43Å; T221-L225 WeakPolarHBondContact O-CG 3.24Å; T221-L225 PolarHBondContact O-N 2.75Å; T221-V249 HydrophobicContact CG2-CG2 3.96Å; T221-A271 HydrophobicContact CG2-CB 4.12Å
222	E	98.9	Very high	98.8	Very high	36 Å²	36	41.5 Å²	41.5	17%	0.168	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-41.7	177.3	-72.7	176.7	-164	0	0	112.1	Q218 Y219 I220 A226 A271 R274 T275	Q218-E222 PolarHBondContact NE2-OE1 3.01Å; Q218-E222 WeakPolarHBondContact O-CG 3.35Å; Q218-E222 PolarHBondContact O-N 3.23Å; Y219-E222 PolarHBondContact O-N 3.44Å; I220-E222 VanDerWaalsContact C-N 3.32Å; I220-E222 PolarHBondContact O-N 3.26Å; E222-A226 VanDerWaalsContact O-CB 3.27Å; E222-A226 WeakPolarHBondContact O-CB 3.3Å; E222-A226 PolarHBondContact O-N 3.23Å; E222-A271 HydrophobicContact CG-CB 3.79Å; E222-R274 VanDerWaalsContact CD-CD 3.49Å; E222-R274 WeakPolarHBondContact OE1-CD 3.47Å; E222-R274 IonicContact OE1-CZ 3.95Å; E222-R274 IonicContact OE1-NE 3.28Å; E222-R274 IonicContact OE1-NH1 2.98Å; E222-R274 PolarHBondContact OE1-NH1 3.28Å; E222-R274 IonicContact OE2-NH1 2.73Å; E222-R274 PolarHBondContact OE2-NH1 3.38Å; E222-T275 HydrophobicContact CB-CG2 4.18Å; E222-T275 HydrophobicContact CG-CG2 4.39Å; E222-T275 WeakPolarHBondContact O-CG2 3.09Å
223	K	98.9	Very high	98.8	Very high	104 Å²	104	44.5 Å²	44.5	45%	0.452	22%	0.219	S	C	.	.	H	α-helix	trans	-67.9	-42.2	178.6	-64.4	-53.9	178.4	-172.7	0	112.9	Y219 I220 T221 A227	Y219-K223 HydrophobicContact CE1-CG 4.08Å; Y219-K223 VanDerWaalsContact CE2-CE 3.42Å; Y219-K223 HydrophobicContact CE2-CG 4.31Å; Y219-K223 WeakPolarHBondContact O-CG 3.33Å; Y219-K223 PolarHBondContact O-N 3.37Å; Y219-K223 VanDerWaalsContact O-N 3.11Å; Y219-K223 WeakPolarHBondContact OH-CE 3.25Å; I220-K223 PolarHBondContact O-N 3.42Å; T221-K223 PolarHBondContact O-N 3.04Å; K223-A227 PolarHBondContact O-N 2.8Å
224	V	98.9	Very high	98.8	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-49.6	178.9	171.7	0	0	0	0	110.4	L167 I179 P204 I206 I220 T221 A226 A227 V228	L167-V224 HydrophobicContact CD1-CG1 4.03Å; L167-V224 HydrophobicContact CD2-CG1 4.41Å; L167-V224 HydrophobicContact CD2-CG2 3.85Å; I179-V224 HydrophobicContact CD1-CG2 4.49Å; I179-V224 HydrophobicContact CG1-CG2 4.21Å; P204-V224 HydrophobicContact CB-CG1 4.09Å; I206-V224 HydrophobicContact CD1-CB 4.09Å; I206-V224 HydrophobicContact CD1-CG1 4.45Å; I206-V224 HydrophobicContact CD1-CG2 4Å; I206-V224 HydrophobicContact CG1-CG2 4.28Å; I220-V224 HydrophobicContact CG2-CG2 4.11Å; I220-V224 WeakPolarHBondContact O-CG2 3.46Å; I220-V224 PolarHBondContact O-N 3.28Å; T221-V224 PolarHBondContact O-N 3.5Å; V224-A226 PolarHBondContact O-N 2.7Å; V224-A227 PolarHBondContact O-N 2.85Å; V224-A227 VanDerWaalsContact O-N 3.17Å; V224-V228 HydrophobicContact CG1-CG2 4.34Å; V224-V228 WeakPolarHBondContact O-CG2 3.34Å; V224-V228 PolarHBondContact O-N 3.35Å
225	L	98.9	Very high	98.8	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-37.6	-178.3	-67.5	-175.2	0	0	0	112.5	P204 T221 A227 V228 Y229 L244 L272 T275 V276	P204-L225 HydrophobicContact CG-CD2 3.85Å; T221-L225 HydrophobicContact CG2-CD1 3.85Å; T221-L225 HydrophobicContact CG2-CG 4.21Å; T221-L225 WeakPolarHBondContact O-CB 3.43Å; T221-L225 WeakPolarHBondContact O-CG 3.24Å; T221-L225 PolarHBondContact O-N 2.75Å; L225-A227 VanDerWaalsContact C-N 3.32Å; L225-A227 PolarHBondContact O-N 3.09Å; L225-V228 PolarHBondContact O-N 3.15Å; L225-Y229 WeakPolarHBondContact O-CD2 3.08Å; L225-Y229 PolarHBondContact O-N 2.79Å; L225-L244 HydrophobicContact CD1-CD2 4.37Å; L225-L244 HydrophobicContact CD2-CD1 4.14Å; L225-L244 HydrophobicContact CD2-CD2 4.03Å; L225-L272 HydrophobicContact CD1-CD2 3.85Å; L225-T275 HydrophobicContact CB-CG2 4.23Å; L225-T275 WeakPolarHBondContact CB-OG1 3.34Å; L225-V276 HydrophobicContact CD1-CG2 4.45Å
226	A	98.9	Very high	98.7	Very high	50 Å²	50	44.8 Å²	44.8	41%	0.413	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-42.8	173.4	0	0	0	0	0	112.1	E222 V224 K230 T275	E222-A226 VanDerWaalsContact O-CB 3.27Å; E222-A226 WeakPolarHBondContact O-CB 3.3Å; E222-A226 PolarHBondContact O-N 3.23Å; V224-A226 PolarHBondContact O-N 2.7Å; A226-K230 WeakPolarHBondContact O-CB 3.31Å; A226-K230 PolarHBondContact O-N 2.66Å; A226-K230 VanDerWaalsContact O-N 3.07Å; A226-T275 HydrophobicContact CB-CG2 4.31Å
227	A	98.9	Very high	98.7	Very high	21 Å²	21	40.9 Å²	40.9	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-41.5	176.2	0	0	0	0	0	112.1	I179 A183 K223 V224 L225 K230 A231	I179-A227 HydrophobicContact CG2-CB 3.39Å; A183-A227 HydrophobicContact CB-CB 4.18Å; K223-A227 PolarHBondContact O-N 2.8Å; V224-A227 PolarHBondContact O-N 2.85Å; V224-A227 VanDerWaalsContact O-N 3.17Å; L225-A227 VanDerWaalsContact C-N 3.32Å; L225-A227 PolarHBondContact O-N 3.09Å; A227-K230 PolarHBondContact O-N 2.89Å; A227-A231 WeakPolarHBondContact O-CB 3.38Å; A227-A231 PolarHBondContact O-N 3.43Å
228	V	98.9	Very high	98.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-53.4	176.7	169	0	0	0	0	110.8	A183 L186 V202 P204 V224 L225 K230 A231 L232	A183-V228 HydrophobicContact CB-CG2 4.17Å; L186-V228 HydrophobicContact CD1-CG2 4.19Å; V202-V228 HydrophobicContact CG1-CG1 3.87Å; P204-V228 HydrophobicContact CB-CG2 4.02Å; P204-V228 HydrophobicContact CG-CG2 4.28Å; V224-V228 HydrophobicContact CG1-CG2 4.34Å; V224-V228 WeakPolarHBondContact O-CG2 3.34Å; V224-V228 PolarHBondContact O-N 3.35Å; L225-V228 PolarHBondContact O-N 3.15Å; V228-K230 VanDerWaalsContact C-N 3.31Å; V228-K230 PolarHBondContact O-N 3.06Å; V228-A231 PolarHBondContact O-N 3.31Å; V228-A231 VanDerWaalsContact O-N 3.13Å; V228-L232 HydrophobicContact CG1-CD1 3.95Å; V228-L232 HydrophobicContact CG1-CG 4.29Å; V228-L232 WeakPolarHBondContact O-CG 3.37Å; V228-L232 PolarHBondContact O-N 3.31Å
229	Y	98.9	Very high	98.7	Very high	17 Å²	17	42.5 Å²	42.5	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-68.2	-30.6	-178.6	-79.6	-74.2	0	0	0	113.3	L225 L232 S233 L239 L244 T275 V276 P277 V280	L225-Y229 WeakPolarHBondContact O-CD2 3.08Å; L225-Y229 PolarHBondContact O-N 2.79Å; Y229-L232 HydrophobicContact CD1-CD1 3.85Å; Y229-L232 HydrophobicContact CE1-CD1 3.93Å; Y229-S233 WeakPolarHBondContact O-CB 3.34Å; Y229-S233 PolarHBondContact O-N 3.08Å; Y229-L239 HydrophobicContact CD1-CD1 4.3Å; Y229-L239 HydrophobicContact CD1-CD2 4.2Å; Y229-L239 HydrophobicContact CE1-CD1 4.49Å; Y229-L239 HydrophobicContact CE1-CD2 4.17Å; Y229-L244 HydrophobicContact CE2-CD1 4.48Å; Y229-L244 HydrophobicContact CE2-CD2 4.28Å; Y229-T275 WeakPolarHBondContact CD2-O 3.06Å; Y229-V276 HydrophobicContact CE1-CG1 4.42Å; Y229-V276 HydrophobicContact CE2-CB 4.1Å; Y229-V276 HydrophobicContact CE2-CG1 4.06Å; Y229-V276 HydrophobicContact CE2-CG2 3.72Å; Y229-V276 WeakPolarHBondContact OH-CG1 3.43Å; Y229-P277 HydrophobicContact CD1-CG 3.88Å; Y229-P277 HydrophobicContact CE1-CG 4.4Å; Y229-P277 HydrophobicContact CG-CG 4.25Å; Y229-V280 HydrophobicContact CE1-CG2 3.62Å
230	K	98.9	Very high	98.7	Very high	118 Å²	118	40.4 Å²	40.4	51%	0.513	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-45.9	169.7	-179.2	57.2	170.7	72.6	0	111.4	A226 A227 V228 S233 D234	A226-K230 WeakPolarHBondContact O-CB 3.31Å; A226-K230 PolarHBondContact O-N 2.66Å; A226-K230 VanDerWaalsContact O-N 3.07Å; A227-K230 PolarHBondContact O-N 2.89Å; V228-K230 VanDerWaalsContact C-N 3.31Å; V228-K230 PolarHBondContact O-N 3.06Å; K230-S233 WeakPolarHBondContact O-CB 3.3Å; K230-S233 PolarHBondContact O-N 3.39Å; K230-D234 IonicContact NZ-OD1 2.73Å; K230-D234 PolarHBondContact NZ-OD1 3.45Å; K230-D234 IonicContact NZ-OD2 2.76Å; K230-D234 PolarHBondContact NZ-OD2 2.79Å; K230-D234 PolarHBondContact O-N 3.44Å
231	A	98.8	Very high	98.7	Very high	11 Å²	11	40 Å²	40	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-43.2	176.7	0	0	0	0	0	111.9	A183 A187 A227 V228 S233 D234 H235	A183-A231 HydrophobicContact CB-CB 3.92Å; A183-A231 WeakPolarHBondContact O-CB 3.41Å; A187-A231 HydrophobicContact CB-CB 3.85Å; A187-A231 WeakPolarHBondContact CB-O 3.28Å; A227-A231 WeakPolarHBondContact O-CB 3.38Å; A227-A231 PolarHBondContact O-N 3.43Å; V228-A231 PolarHBondContact O-N 3.31Å; V228-A231 VanDerWaalsContact O-N 3.13Å; A231-S233 VanDerWaalsContact C-N 3.27Å; A231-S233 PolarHBondContact O-N 3.3Å; A231-D234 PolarHBondContact O-N 2.85Å; A231-D234 VanDerWaalsContact O-N 3.09Å; A231-H235 PolarHBondContact O-CD2 3.06Å; A231-H235 PolarHBondContact O-N 3.26Å
232	L	98.8	Very high	98.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-42.4	174.8	-67.7	174.8	0	0	0	111.5	A187 A190 V202 V228 Y229 H235 H236 V237 L239	A187-L232 HydrophobicContact CB-CD2 4.16Å; A190-L232 HydrophobicContact CB-CD2 3.9Å; V202-L232 HydrophobicContact CG2-CD1 4.49Å; V202-L232 HydrophobicContact CG2-CD2 4.28Å; V228-L232 HydrophobicContact CG1-CD1 3.95Å; V228-L232 HydrophobicContact CG1-CG 4.29Å; V228-L232 WeakPolarHBondContact O-CG 3.37Å; V228-L232 PolarHBondContact O-N 3.31Å; Y229-L232 HydrophobicContact CD1-CD1 3.85Å; Y229-L232 HydrophobicContact CE1-CD1 3.93Å; L232-H235 CarbonylContact O-C 3.54Å; L232-H235 PolarHBondContact O-N 3.49Å; L232-H236 PolarHBondContact O-N 3.13Å; L232-V237 HydrophobicContact CB-CB 4.15Å; L232-V237 HydrophobicContact CB-CG2 4.38Å; L232-V237 HydrophobicContact CD2-CB 4.17Å; L232-V237 HydrophobicContact CD2-CG1 4.17Å; L232-V237 HydrophobicContact CD2-CG2 3.87Å; L232-V237 WeakPolarHBondContact O-CB 3.38Å; L232-V237 WeakPolarHBondContact O-CG2 3.16Å; L232-V237 PolarHBondContact O-N 3.22Å; L232-L239 HydrophobicContact CB-CD2 4.27Å; L232-L239 HydrophobicContact CD1-CD2 4.21Å
233	S	98.6	Very high	98.7	Very high	78 Å²	78	38.2 Å²	38.2	55%	0.545	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-43.6	173.9	-177.2	0	0	0	0	112.4	Y229 K230 A231 H235 H236	Y229-S233 WeakPolarHBondContact O-CB 3.34Å; Y229-S233 PolarHBondContact O-N 3.08Å; K230-S233 WeakPolarHBondContact O-CB 3.3Å; K230-S233 PolarHBondContact O-N 3.39Å; A231-S233 VanDerWaalsContact C-N 3.27Å; A231-S233 PolarHBondContact O-N 3.3Å; S233-H235 VanDerWaalsContact C-N 3.26Å; S233-H235 PolarHBondContact O-N 2.62Å; S233-H236 PolarHBondContact O-N 3.14Å; S233-H236 VanDerWaalsContact O-N 3.09Å
234	D	97.8	Very high	98.7	Very high	83 Å²	83	33.2 Å²	33.2	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-65.8	-30.1	-179.1	-69.7	-19.8	0	0	0	112.7	K230 A231 H236	K230-D234 IonicContact NZ-OD1 2.73Å; K230-D234 PolarHBondContact NZ-OD1 3.45Å; K230-D234 IonicContact NZ-OD2 2.76Å; K230-D234 PolarHBondContact NZ-OD2 2.79Å; K230-D234 PolarHBondContact O-N 3.44Å; A231-D234 PolarHBondContact O-N 2.85Å; A231-D234 VanDerWaalsContact O-N 3.09Å; D234-H236 VanDerWaalsContact C-N 3.31Å
235	H	98.3	Very high	98.7	Very high	39 Å²	39	33.3 Å²	33.3	18%	0.181	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	15.1	175	-69.1	-104.6	0	0	0	112.9	N184 A187 R188 A231 L232 S233 V237	N184-H235 PolarHBondContact OD1-NE2 3.08Å; A187-H235 HydrophobicContact CB-CB 3.94Å; R188-H235 WeakPolarHBondContact CD-CE1 3.45Å; R188-H235 WeakPolarHBondContact CD-ND1 3.36Å; A231-H235 PolarHBondContact O-CD2 3.06Å; A231-H235 PolarHBondContact O-N 3.26Å; L232-H235 CarbonylContact O-C 3.54Å; L232-H235 PolarHBondContact O-N 3.49Å; S233-H235 VanDerWaalsContact C-N 3.26Å; S233-H235 PolarHBondContact O-N 2.62Å; H235-V237 HydrophobicContact CB-CG2 4.33Å; H235-V237 PolarHBondContact O-N 2.95Å
236	H	97.4	Very high	98.7	Very high	114 Å²	114	33.2 Å²	33.2	53%	0.528	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	19.5	173.3	-45.9	-53.5	0	0	0	115.2	F22 L232 S233 D234 Y238	F22-H236 HydrophobicContact CD1-CB 4.34Å; F22-H236 HydrophobicContact CE1-CB 3.92Å; F22-H236 VanDerWaalsContact CE1-O 3.25Å; F22-H236 WeakPolarHBondContact CE1-O 3.46Å; L232-H236 PolarHBondContact O-N 3.13Å; S233-H236 PolarHBondContact O-N 3.14Å; S233-H236 VanDerWaalsContact O-N 3.09Å; D234-H236 VanDerWaalsContact C-N 3.31Å; H236-Y238 PolarHBondContact O-N 3.08Å
237	V	98.7	Very high	98.7	Very high	11 Å²	11	31.4 Å²	31.4	7%	0.067	16%	0.161	C	C	.	.			trans	-60.7	131.1	-175.1	178	0	0	0	0	111.1	A190 L232 H235 L239 T242	A190-V237 HydrophobicContact CB-CG1 4.08Å; A190-V237 HydrophobicContact CB-CG2 3.9Å; L232-V237 HydrophobicContact CB-CB 4.15Å; L232-V237 HydrophobicContact CB-CG2 4.38Å; L232-V237 HydrophobicContact CD2-CB 4.17Å; L232-V237 HydrophobicContact CD2-CG1 4.17Å; L232-V237 HydrophobicContact CD2-CG2 3.87Å; L232-V237 WeakPolarHBondContact O-CB 3.38Å; L232-V237 WeakPolarHBondContact O-CG2 3.16Å; L232-V237 PolarHBondContact O-N 3.22Å; H235-V237 HydrophobicContact CB-CG2 4.33Å; H235-V237 PolarHBondContact O-N 2.95Å; V237-L239 PolarHBondContact O-N 3.12Å; V237-T242 HydrophobicContact CG1-CG2 3.48Å; V237-T242 VanDerWaalsContact CG1-CG2 3.48Å
238	Y	98.8	Very high	98.7	Very high	44 Å²	44	30.6 Å²	30.6	17%	0.173	15%	0.154	C	C	.	.			trans	-81	101.7	177.8	174.9	-117.8	0	0	0	110.4	L23 K28 Q194 H236 E240 G241 T242	L23-Y238 HydrophobicContact CD1-CD1 4.31Å; L23-Y238 HydrophobicContact CD1-CG 4.25Å; K28-Y238 HydrophobicContact CB-CD1 4.25Å; K28-Y238 HydrophobicContact CB-CE1 3.67Å; K28-Y238 HydrophobicContact CB-CE2 4.37Å; K28-Y238 HydrophobicContact CD-CD2 4.12Å; K28-Y238 HydrophobicContact CD-CE2 3.86Å; K28-Y238 HydrophobicContact CG-CD1 3.99Å; K28-Y238 HydrophobicContact CG-CD2 4.22Å; K28-Y238 HydrophobicContact CG-CE1 3.87Å; K28-Y238 HydrophobicContact CG-CE2 4.09Å; K28-Y238 HydrophobicContact CG-CG 4.16Å; K28-Y238 WeakPolarHBondContact O-CE1 3.35Å; Q194-Y238 PolarHBondContact NE2-O 3.09Å; H236-Y238 PolarHBondContact O-N 3.08Å; Y238-E240 VanDerWaalsContact CD2-OE2 3.24Å; Y238-E240 WeakPolarHBondContact CD2-OE2 3.01Å; Y238-E240 HydrophobicContact CE1-CB 3.82Å; Y238-E240 HydrophobicContact CE2-CB 3.91Å; Y238-E240 VanDerWaalsContact CE2-CD 3.42Å; Y238-E240 HydrophobicContact CE2-CG 4.11Å; Y238-E240 WeakPolarHBondContact CE2-OE2 3.33Å; Y238-E240 VanDerWaalsContact CZ-CB 3.49Å; Y238-E240 PolarHBondContact O-N 3.36Å; Y238-E240 WeakPolarHBondContact OH-CB 3.45Å; Y238-G241 PolarHBondContact O-N 3.17Å; Y238-G241 VanDerWaalsContact O-N 3.08Å; Y238-T242 WeakPolarHBondContact O-CG2 3.45Å
239	L	98.9	Very high	98.7	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.147	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-65.3	-34.6	-166.6	-62.7	-175.7	0	0	0	113.7	Y229 L232 V237 G241 T242 P277 A279 V280 P281	Y229-L239 HydrophobicContact CD1-CD1 4.3Å; Y229-L239 HydrophobicContact CD1-CD2 4.2Å; Y229-L239 HydrophobicContact CE1-CD1 4.49Å; Y229-L239 HydrophobicContact CE1-CD2 4.17Å; L232-L239 HydrophobicContact CB-CD2 4.27Å; L232-L239 HydrophobicContact CD1-CD2 4.21Å; V237-L239 PolarHBondContact O-N 3.12Å; L239-G241 PolarHBondContact O-N 2.93Å; L239-G241 VanDerWaalsContact O-N 3.09Å; L239-T242 PolarHBondContact O-N 3.47Å; L239-T242 PolarHBondContact O-OG1 3.27Å; L239-P277 HydrophobicContact CD1-CB 3.8Å; L239-P277 HydrophobicContact CD1-CG 3.72Å; L239-A279 HydrophobicContact CB-CB 4.04Å; L239-V280 HydrophobicContact CB-CG2 4.22Å; L239-V280 HydrophobicContact CD1-CG2 4.49Å; L239-P281 VanDerWaalsContact O-CD 3.3Å; L239-P281 WeakPolarHBondContact O-CD 3.34Å
240	E	98.9	Very high	98.7	Very high	73 Å²	73	30.9 Å²	30.9	34%	0.341	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-62.6	-14.7	176.8	-59.5	87	149.7	0	0	112.8	S32 Y238 A279 P281	S32-E240 WeakPolarHBondContact CA-O 3.31Å; S32-E240 PolarHBondContact OG-O 3.13Å; Y238-E240 VanDerWaalsContact CD2-OE2 3.24Å; Y238-E240 WeakPolarHBondContact CD2-OE2 3.01Å; Y238-E240 HydrophobicContact CE1-CB 3.82Å; Y238-E240 HydrophobicContact CE2-CB 3.91Å; Y238-E240 VanDerWaalsContact CE2-CD 3.42Å; Y238-E240 HydrophobicContact CE2-CG 4.11Å; Y238-E240 WeakPolarHBondContact CE2-OE2 3.33Å; Y238-E240 VanDerWaalsContact CZ-CB 3.49Å; Y238-E240 PolarHBondContact O-N 3.36Å; Y238-E240 WeakPolarHBondContact OH-CB 3.45Å; E240-A279 WeakPolarHBondContact CA-O 3.13Å; E240-A279 HydrophobicContact CG-CB 4.18Å; E240-P281 WeakPolarHBondContact O-CG 3.4Å
241	G	98.9	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-111.8	31.2	174	0	0	0	0	0	113.1	Q194 P200 Y238 L239	Q194-G241 PolarHBondContact NE2-O 3.46Å; Q194-G241 VanDerWaalsContact NE2-O 3.08Å; P200-G241 WeakPolarHBondContact CD-O 3.48Å; Y238-G241 PolarHBondContact O-N 3.17Å; Y238-G241 VanDerWaalsContact O-N 3.08Å; L239-G241 PolarHBondContact O-N 2.93Å; L239-G241 VanDerWaalsContact O-N 3.09Å
242	T	98.9	Very high	98.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.137	C	C	.	.			trans	-129	170.5	175.8	66.6	0	0	0	0	111.2	P200 V237 Y238 L239 P281	P200-T242 HydrophobicContact CG-CG2 3.87Å; V237-T242 HydrophobicContact CG1-CG2 3.48Å; V237-T242 VanDerWaalsContact CG1-CG2 3.48Å; Y238-T242 WeakPolarHBondContact O-CG2 3.45Å; L239-T242 PolarHBondContact O-N 3.47Å; L239-T242 PolarHBondContact O-OG1 3.27Å; T242-P281 VanDerWaalsContact O-CD 3.27Å; T242-P281 WeakPolarHBondContact O-CD 3.41Å
243	L	99	Very high	98.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.1	161.3	-62.2	170.5	0	0	0	109.5	A35 I38 V39 I45 V199 P200 I201 V202 P281 T284	A35-L243 HydrophobicContact CB-CD2 4.4Å; I38-L243 HydrophobicContact CB-CD1 4.07Å; I38-L243 HydrophobicContact CD1-CD1 4.09Å; I38-L243 HydrophobicContact CG2-CD1 3.69Å; V39-L243 HydrophobicContact CG1-CD1 3.98Å; V39-L243 HydrophobicContact CG1-CD2 3.63Å; V39-L243 HydrophobicContact CG1-CG 4.48Å; V39-L243 HydrophobicContact CG2-CD2 4.32Å; I45-L243 HydrophobicContact CD1-CD1 4.48Å; V199-L243 HydrophobicContact CG1-CG 4.44Å; P200-L243 PolarHBondContact O-N 3.25Å; P200-L243 VanDerWaalsContact O-N 3.08Å; I201-L243 WeakPolarHBondContact CA-O 3.44Å; I201-L243 HydrophobicContact CD1-CD1 4.32Å; I201-L243 HydrophobicContact CG1-CB 4.17Å; I201-L243 HydrophobicContact CG1-CD1 4.3Å; V202-L243 PolarHBondContact N-O 3.11Å; L243-P281 HydrophobicContact CD2-CB 4.12Å; L243-T284 HydrophobicContact CD1-CG2 4.28Å
244	L	98.9	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.3	173.3	-175.4	72.9	0	0	0	110	V202 P204 L225 Y229 P246 L272 V276 G282 I283 T284	V202-L244 HydrophobicContact CB-CD1 4.43Å; V202-L244 HydrophobicContact CG1-CD1 4.4Å; P204-L244 HydrophobicContact CG-CD1 4.09Å; L225-L244 HydrophobicContact CD1-CD2 4.37Å; L225-L244 HydrophobicContact CD2-CD1 4.14Å; L225-L244 HydrophobicContact CD2-CD2 4.03Å; Y229-L244 HydrophobicContact CE2-CD1 4.48Å; Y229-L244 HydrophobicContact CE2-CD2 4.28Å; L244-P246 HydrophobicContact CD2-CB 4.13Å; L244-P246 HydrophobicContact CD2-CG 3.92Å; L244-P246 HydrophobicContact CG-CB 4.26Å; L244-P246 HydrophobicContact CG-CG 4.11Å; L244-P246 WeakPolarHBondContact O-CD 3.47Å; L244-L272 HydrophobicContact CD2-CD2 4.08Å; L244-V276 HydrophobicContact CD2-CG2 4Å; L244-G282 PolarHBondContact N-O 3.35Å; L244-I283 HydrophobicContact CB-CD1 3.87Å; L244-I283 HydrophobicContact CD2-CD1 4Å; L244-I283 HydrophobicContact CD2-CG2 4.44Å; L244-I283 CarbonylContact O-C 3.59Å; L244-I283 WeakPolarHBondContact O-CA 3.43Å; L244-T284 PolarHBondContact O-N 3.14Å; L244-T284 PolarHBondContact O-OG1 3.26Å
245	K	98.9	Very high	98.1	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.017	14%	0.139	C	C	.	.			trans	-115.9	80.9	171.4	175.8	170.5	-174.5	-142.6	0	109.9	I201 V202 E203 T284 L286 S316	I201-K245 HydrophobicContact CG2-CB 3.44Å; I201-K245 VanDerWaalsContact CG2-CB 3.44Å; I201-K245 HydrophobicContact CG2-CD 4.14Å; I201-K245 HydrophobicContact CG2-CG 4.44Å; V202-K245 PolarHBondContact O-N 2.93Å; E203-K245 VanDerWaalsContact CA-O 3.32Å; E203-K245 WeakPolarHBondContact CA-O 3.4Å; E203-K245 HydrophobicContact CB-CB 4.01Å; E203-K245 HydrophobicContact CB-CD 4.32Å; E203-K245 HydrophobicContact CB-CG 4.16Å; E203-K245 VanDerWaalsContact CD-NZ 3.35Å; E203-K245 HydrophobicContact CG-CB 4.26Å; E203-K245 HydrophobicContact CG-CD 4.08Å; E203-K245 HydrophobicContact CG-CG 3.88Å; E203-K245 WeakPolarHBondContact CG-O 3.5Å; E203-K245 WeakPolarHBondContact OE1-CD 3.17Å; E203-K245 WeakPolarHBondContact OE1-CE 3.41Å; E203-K245 IonicContact OE1-NZ 2.67Å; E203-K245 PolarHBondContact OE1-NZ 3.41Å; E203-K245 IonicContact OE2-NZ 2.68Å; E203-K245 PolarHBondContact OE2-NZ 3.29Å; K245-T284 WeakPolarHBondContact CA-O 3.33Å; K245-T284 WeakPolarHBondContact CB-O 3.32Å; K245-T284 VanDerWaalsContact CG-O 3.22Å; K245-T284 WeakPolarHBondContact CG-O 3.39Å; K245-L286 HydrophobicContact CG-CB 4.16Å; K245-S316 VanDerWaalsContact CE-O 3.3Å; K245-S316 WeakPolarHBondContact CE-O 3.5Å; K245-S316 VanDerWaalsContact CE-OG 3.24Å; K245-S316 WeakPolarHBondContact CE-OG 3.2Å
246	P	98.8	Very high	98	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.013	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-90.5	166.3	-179.9	37.8	-31.2	0	0	0	110.5	L244 L272 I283 F285 L286	L244-P246 HydrophobicContact CD2-CB 4.13Å; L244-P246 HydrophobicContact CD2-CG 3.92Å; L244-P246 HydrophobicContact CG-CB 4.26Å; L244-P246 HydrophobicContact CG-CG 4.11Å; L244-P246 WeakPolarHBondContact O-CD 3.47Å; P246-L272 HydrophobicContact CG-CD2 4.33Å; P246-I283 VanDerWaalsContact CD-CG2 3.47Å; P246-I283 HydrophobicContact CG-CG2 3.48Å; P246-I283 VanDerWaalsContact CG-CG2 3.48Å; P246-F285 HydrophobicContact CG-CD1 3.84Å; P246-F285 HydrophobicContact CG-CE1 3.84Å; P246-L286 WeakPolarHBondContact O-CG 3.25Å; P246-L286 PolarHBondContact O-N 3.17Å; P246-L286 VanDerWaalsContact O-N 3.16Å
247	N	98.8	Very high	97.9	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.059	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-64.6	152.6	157.4	55.8	-80.2	0	0	0	110.4	I206 L286	I206-N247 WeakPolarHBondContact CB-OD1 3.5Å; I206-N247 PolarHBondContact N-OD1 3.43Å; N247-L286 HydrophobicContact CB-CD1 4.12Å; N247-L286 HydrophobicContact CB-CD2 4.49Å; N247-L286 HydrophobicContact CB-CG 4.45Å
248	M	98.8	Very high	97.6	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.025	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-68.3	154.7	159.7	-61.3	-176.2	-168.5	0	0	109.1	T250 F285 Q290 N298 L299 M302 Y317	M248-T250 HydrophobicContact CB-CG2 4.12Å; M248-T250 PolarHBondContact O-N 3.44Å; M248-F285 HydrophobicContact CE-CB 4.01Å; M248-F285 HydrophobicContact CE-CG 4.27Å; M248-F285 HydrophobicContact CG-CB 4.34Å; M248-F285 HydrophobicContact CG-CD1 3.77Å; M248-F285 HydrophobicContact CG-CE1 4.31Å; M248-F285 HydrophobicContact CG-CG 4.12Å; M248-Q290 PolarHBondContact SD-NE2 3Å; M248-N298 HydrophobicContact CE-CB 4.26Å; M248-N298 HydrophobicContact SD-CB 3.54Å; M248-N298 VanDerWaalsContact SD-CB 3.54Å; M248-L299 HydrophobicContact CE-CB 4.27Å; M248-M302 HydrophobicContact CE-CE 3.47Å; M248-M302 VanDerWaalsContact CE-CE 3.47Å; M248-M302 HydrophobicContact CG-CE 3.85Å; M248-M302 HydrophobicContact CG-SD 4.39Å; M248-M302 HydrophobicContact SD-CE 3.61Å; M248-Y317 WeakPolarHBondContact CE-OH 3.32Å
249	V	98.8	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.196	C	C	.	.			trans	-82.7	98.2	172.4	178.3	0	0	0	0	107.8	L214 C217 Q218 T221 A267 T268 A271	L214-V249 HydrophobicContact CD1-CG1 3.96Å; L214-V249 WeakPolarHBondContact CD1-O 3.4Å; C217-V249 HydrophobicContact CB-CG1 4.16Å; Q218-V249 HydrophobicContact CB-CG1 3.68Å; Q218-V249 HydrophobicContact CG-CG1 4.25Å; T221-V249 HydrophobicContact CG2-CG2 3.96Å; V249-A267 HydrophobicContact CB-CB 4.16Å; V249-A267 HydrophobicContact CG1-CB 3.72Å; V249-T268 WeakPolarHBondContact CB-OG1 3.21Å; V249-T268 HydrophobicContact CG2-CG2 4.47Å; V249-T268 PolarHBondContact N-OG1 3.42Å; V249-A271 HydrophobicContact CG2-CB 4.05Å
250	T	98.3	Very high	97.4	Very high	23 Å²	23	37.5 Å²	37.5	14%	0.141	21%	0.205	C	C	.	.			trans	-119.9	161.1	176	64	0	0	0	0	110	C217 M248 I264	C217-T250 WeakPolarHBondContact CB-O 3.43Å; C217-T250 PolarHBondContact SG-O 3.31Å; M248-T250 HydrophobicContact CB-CG2 4.12Å; M248-T250 PolarHBondContact O-N 3.44Å; T250-I264 HydrophobicContact CG2-CD1 4.25Å; T250-I264 HydrophobicContact CG2-CG1 4.44Å; T250-I264 HydrophobicContact CG2-CG2 4.04Å
251	S	97.3	Very high	97.3	Very high	21 Å²	21	36.5 Å²	36.5	15%	0.147	20%	0.202	C	C	.	.			trans	-64.1	161.4	164.9	57.9	0	0	0	0	110.8
252	G	97.1	Very high	97.3	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.021	23%	0.229	C	C	.	.			trans	-58.8	151	171.6	0	0	0	0	0	111.3	P208 G210 H212 S254 C255	P208-G252 CarbonylContact O-C 3.57Å; P208-G252 WeakPolarHBondContact O-CA 3.4Å; G210-G252 CarbonylContact O-C 3.5Å; G210-G252 VanDerWaalsContact O-CA 3.29Å; G210-G252 WeakPolarHBondContact O-CA 3.44Å; H212-G252 PolarHBondContact CD2-N 3.06Å; H212-G252 VanDerWaalsContact CE1-CA 3.49Å; H212-G252 WeakPolarHBondContact CE1-CA 3.04Å; H212-G252 WeakPolarHBondContact NE2-CA 3.41Å; H212-G252 PolarHBondContact NE2-N 3.17Å; H212-G252 PolarHBondContact O-N 3.35Å; G252-S254 PolarHBondContact O-N 3.04Å; G252-C255 WeakPolarHBondContact O-CB 3.49Å; G252-C255 PolarHBondContact O-N 3.38Å
253	H	94.9	Very high	97.2	Very high	83 Å²	83	46.5 Å²	46.5	38%	0.384	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.4	-175.9	-174.3	68	0	0	0	112.4	P208 G210 F372	P208-H253 PolarHBondContact O-N 2.95Å; G210-H253 PolarHBondContact O-N 2.83Å; H253-F372 HydrophobicContact CB-CD2 4.31Å; H253-F372 HydrophobicContact CB-CE1 4.37Å; H253-F372 HydrophobicContact CB-CE2 4.16Å; H253-F372 HydrophobicContact CB-CG 4.49Å; H253-F372 HydrophobicContact CB-CZ 4.17Å; H253-F372 AromaticContact CD2-CD1 3.37Å; H253-F372 WeakPolarHBondContact CD2-CD1 3.1Å; H253-F372 AromaticContact CD2-CE1 3.53Å; H253-F372 AromaticContact CD2-CG 3.91Å; H253-F372 AromaticContact CE1-CD1 3.84Å; H253-F372 AromaticContact CE1-CG 3.82Å; H253-F372 AromaticContact CG-CD1 3.72Å; H253-F372 AromaticContact CG-CE1 3.93Å; H253-F372 AromaticContact CG-CG 3.79Å; H253-F372 AromaticContact ND1-CD1 3.99Å; H253-F372 AromaticContact ND1-CG 3.73Å; H253-F372 AromaticContact NE2-CD1 3.45Å; H253-F372 WeakPolarHBondContact NE2-CD1 3.36Å; H253-F372 AromaticContact NE2-CG 3.93Å
254	S	95.4	Very high	97.2	Very high	86 Å²	86	46.9 Å²	46.9	60%	0.601	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	7.6	178.7	-55.6	0	0	0	0	113.3	G210 G252 S256	G210-S254 WeakPolarHBondContact O-CB 3.44Å; G210-S254 PolarHBondContact O-N 3.47Å; G252-S254 PolarHBondContact O-N 3.04Å; S254-S256 PolarHBondContact O-N 3.15Å
255	C	96.8	Very high	97.2	Very high	9 Å²	9	47 Å²	47	6%	0.061	25%	0.251	C	S	.	.			trans	-64.7	128.8	176.6	-166.5	0	0	0	0	110	G252 H257	G252-C255 WeakPolarHBondContact O-CB 3.49Å; G252-C255 PolarHBondContact O-N 3.38Å; C255-H257 VanDerWaalsContact C-N 3.33Å
256	S	95.3	Very high	97.2	Very high	119 Å²	119	50.3 Å²	50.3	83%	0.832	27%	0.268	S	S	*	.	S	Bend	trans	-71.9	-28.9	-180	56.4	0	0	0	0	112.5	S254	S254-S256 PolarHBondContact O-N 3.15Å
257	H	95.9	Very high	97.2	Very high	97 Å²	97	50.4 Å²	50.4	45%	0.449	27%	0.268	S	S	.	.	S	Bend	trans	-80.7	131.1	176.8	-168.4	83.7	0	0	0	110.8	C255 Y259	C255-H257 VanDerWaalsContact C-N 3.33Å; H257-Y259 HydrophobicContact CB-CE2 4.2Å; H257-Y259 AromaticContact CD2-CD1 3.74Å; H257-Y259 AromaticContact CD2-CD2 3.77Å; H257-Y259 AromaticContact CD2-CE1 3.41Å; H257-Y259 VanDerWaalsContact CD2-CE1 3.41Å; H257-Y259 WeakPolarHBondContact CD2-CE1 3.35Å; H257-Y259 AromaticContact CD2-CE2 3.43Å; H257-Y259 VanDerWaalsContact CD2-CE2 3.43Å; H257-Y259 WeakPolarHBondContact CD2-CE2 3.33Å; H257-Y259 AromaticContact CD2-CG 3.92Å; H257-Y259 AromaticContact CD2-CZ 3.24Å; H257-Y259 AromaticContact NE2-CD1 3.96Å; H257-Y259 AromaticContact NE2-CE1 3.74Å
258	K	92.4	Very high	97.2	Very high	156 Å²	156	50 Å²	50	68%	0.678	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-100.1	127.1	175.1	-59.4	-54.4	-177.7	-167.3	0	109.5
259	Y	96.3	Very high	97.2	Very high	48 Å²	48	49.9 Å²	49.9	19%	0.188	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-99.6	146.8	177	-64.6	-86.5	0	0	0	109.8	L214 H257 E263	L214-Y259 HydrophobicContact CB-CD1 3.92Å; L214-Y259 HydrophobicContact CB-CD2 3.86Å; L214-Y259 HydrophobicContact CB-CE1 3.67Å; L214-Y259 HydrophobicContact CB-CE2 3.63Å; L214-Y259 HydrophobicContact CB-CG 3.99Å; L214-Y259 HydrophobicContact CD2-CD1 3.6Å; L214-Y259 HydrophobicContact CD2-CE1 4.03Å; L214-Y259 HydrophobicContact CD2-CG 3.89Å; L214-Y259 HydrophobicContact CG-CD1 4.38Å; L214-Y259 HydrophobicContact CG-CG 4.44Å; H257-Y259 HydrophobicContact CB-CE2 4.2Å; H257-Y259 AromaticContact CD2-CD1 3.74Å; H257-Y259 AromaticContact CD2-CD2 3.77Å; H257-Y259 AromaticContact CD2-CE1 3.41Å; H257-Y259 VanDerWaalsContact CD2-CE1 3.41Å; H257-Y259 WeakPolarHBondContact CD2-CE1 3.35Å; H257-Y259 AromaticContact CD2-CE2 3.43Å; H257-Y259 VanDerWaalsContact CD2-CE2 3.43Å; H257-Y259 WeakPolarHBondContact CD2-CE2 3.33Å; H257-Y259 AromaticContact CD2-CG 3.92Å; H257-Y259 AromaticContact CD2-CZ 3.24Å; H257-Y259 AromaticContact NE2-CD1 3.96Å; H257-Y259 AromaticContact NE2-CE1 3.74Å; Y259-E263 HydrophobicContact CD1-CB 4.49Å
260	S	97	Very high	97.2	Very high	46 Å²	46	51 Å²	51	32%	0.322	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-69.8	157.2	172.1	64.2	0	0	0	0	111.6	Q262 E263 I264	S260-Q262 PolarHBondContact O-N 3.36Å; S260-E263 WeakPolarHBondContact CB-OE2 3.2Å; S260-E263 PolarHBondContact N-OE2 3.5Å; S260-E263 PolarHBondContact O-N 3.34Å; S260-E263 VanDerWaalsContact O-N 3.09Å; S260-E263 VanDerWaalsContact OG-CG 3.28Å; S260-E263 WeakPolarHBondContact OG-CG 3.38Å; S260-E263 PolarHBondContact OG-N 2.94Å; S260-E263 PolarHBondContact OG-OE2 3Å; S260-I264 PolarHBondContact O-N 3.07Å
261	N	96.9	Very high	97.2	Very high	52 Å²	52	49.9 Å²	49.9	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-29.9	174.8	-54.1	-66.1	0	0	0	111.6	A265 V297 N298 A301	N261-A265 VanDerWaalsContact O-CB 3.24Å; N261-A265 WeakPolarHBondContact O-CB 3.39Å; N261-A265 PolarHBondContact O-N 3.4Å; N261-V297 HydrophobicContact CB-CG1 4.02Å; N261-V297 VanDerWaalsContact CG-CG1 3.47Å; N261-V297 WeakPolarHBondContact ND2-CG1 3.33Å; N261-N298 WeakPolarHBondContact CB-OD1 3.36Å; N261-N298 PolarHBondContact OD1-OD1 3.12Å; N261-A301 HydrophobicContact CB-CB 4.11Å
262	Q	98	Very high	97.3	Very high	125 Å²	125	49 Å²	49	58%	0.584	26%	0.26	S	S	*	.	H	α-helix	trans	-68.7	-38.4	175.6	-72.1	72.6	20.2	0	0	112.1	S260 A265 M266	S260-Q262 PolarHBondContact O-N 3.36Å; Q262-A265 PolarHBondContact O-N 3.26Å; Q262-M266 WeakPolarHBondContact O-CB 3.44Å; Q262-M266 PolarHBondContact O-N 3.11Å
263	E	98.3	Very high	97.4	Very high	86 Å²	86	54.3 Å²	54.3	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-43.3	174.2	-73.1	165.4	112.9	0	0	111.5	L214 Y259 S260 A265 M266 A267	L214-E263 HydrophobicContact CD2-CB 4.03Å; Y259-E263 HydrophobicContact CD1-CB 4.49Å; S260-E263 WeakPolarHBondContact CB-OE2 3.2Å; S260-E263 PolarHBondContact N-OE2 3.5Å; S260-E263 PolarHBondContact O-N 3.34Å; S260-E263 VanDerWaalsContact O-N 3.09Å; S260-E263 VanDerWaalsContact OG-CG 3.28Å; S260-E263 WeakPolarHBondContact OG-CG 3.38Å; S260-E263 PolarHBondContact OG-N 2.94Å; S260-E263 PolarHBondContact OG-OE2 3Å; E263-A265 VanDerWaalsContact C-N 3.31Å; E263-A265 PolarHBondContact O-N 2.84Å; E263-M266 PolarHBondContact O-N 2.74Å; E263-A267 WeakPolarHBondContact O-CB 3.17Å; E263-A267 PolarHBondContact O-N 3.4Å
264	I	98.7	Very high	97.6	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-46.5	172.8	-70.2	168.3	0	0	0	110.3	L214 T250 S260 A267 T268 N298	L214-I264 HydrophobicContact CD1-CG1 4.31Å; T250-I264 HydrophobicContact CG2-CD1 4.25Å; T250-I264 HydrophobicContact CG2-CG1 4.44Å; T250-I264 HydrophobicContact CG2-CG2 4.04Å; S260-I264 PolarHBondContact O-N 3.07Å; I264-A267 PolarHBondContact O-N 2.98Å; I264-T268 VanDerWaalsContact O-CB 3.29Å; I264-T268 WeakPolarHBondContact O-CB 3.33Å; I264-T268 PolarHBondContact O-N 3.24Å; I264-T268 PolarHBondContact O-OG1 2.93Å; I264-N298 HydrophobicContact CG2-CB 4.42Å
265	A	98.6	Very high	97.7	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-45.6	178.4	0	0	0	0	0	112.5	N261 Q262 E263 T268 V269 A301 M302	N261-A265 VanDerWaalsContact O-CB 3.24Å; N261-A265 WeakPolarHBondContact O-CB 3.39Å; N261-A265 PolarHBondContact O-N 3.4Å; Q262-A265 PolarHBondContact O-N 3.26Å; E263-A265 VanDerWaalsContact C-N 3.31Å; E263-A265 PolarHBondContact O-N 2.84Å; A265-T268 PolarHBondContact O-N 3.37Å; A265-V269 WeakPolarHBondContact O-CB 3.47Å; A265-V269 VanDerWaalsContact O-CG2 3.28Å; A265-V269 WeakPolarHBondContact O-CG2 3.05Å; A265-V269 PolarHBondContact O-N 3.37Å; A265-A301 VanDerWaalsContact CB-C 3.44Å; A265-A301 HydrophobicContact CB-CB 3.78Å; A265-M302 HydrophobicContact CB-CB 4.45Å; A265-M302 HydrophobicContact CB-CG 3.88Å
266	M	98.8	Very high	97.8	Very high	75 Å²	75	54.8 Å²	54.8	37%	0.369	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-47.5	178.1	-176.9	57.6	66.9	0	0	111.3	Q262 E263 T270 P306 L307	Q262-M266 WeakPolarHBondContact O-CB 3.44Å; Q262-M266 PolarHBondContact O-N 3.11Å; E263-M266 PolarHBondContact O-N 2.74Å; M266-T270 WeakPolarHBondContact O-CB 3.47Å; M266-T270 PolarHBondContact O-N 2.76Å; M266-T270 PolarHBondContact O-OG1 3.3Å; M266-P306 HydrophobicContact CE-CG 4.19Å; M266-L307 HydrophobicContact CE-CG 4.37Å; M266-L307 HydrophobicContact SD-CD1 3.56Å; M266-L307 VanDerWaalsContact SD-CD1 3.56Å; M266-L307 HydrophobicContact SD-CG 3.97Å
267	A	98.8	Very high	98	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-44.3	179.2	0	0	0	0	0	111.6	L214 V249 E263 I264 T270 A271	L214-A267 HydrophobicContact CD1-CB 4.2Å; L214-A267 HydrophobicContact CD2-CB 4.02Å; L214-A267 HydrophobicContact CG-CB 4.03Å; V249-A267 HydrophobicContact CB-CB 4.16Å; V249-A267 HydrophobicContact CG1-CB 3.72Å; E263-A267 WeakPolarHBondContact O-CB 3.17Å; E263-A267 PolarHBondContact O-N 3.4Å; I264-A267 PolarHBondContact O-N 2.98Å; A267-T270 PolarHBondContact O-N 3.07Å; A267-A271 WeakPolarHBondContact O-CB 3.33Å; A267-A271 PolarHBondContact O-N 3.5Å
268	T	98.9	Very high	98.2	Very high	2 Å²	2	51 Å²	51	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-52.2	-179.8	-54.3	0	0	0	0	111.6	V249 I264 A265 T270 A271 L272 F285 M302	V249-T268 WeakPolarHBondContact CB-OG1 3.21Å; V249-T268 HydrophobicContact CG2-CG2 4.47Å; V249-T268 PolarHBondContact N-OG1 3.42Å; I264-T268 VanDerWaalsContact O-CB 3.29Å; I264-T268 WeakPolarHBondContact O-CB 3.33Å; I264-T268 PolarHBondContact O-N 3.24Å; I264-T268 PolarHBondContact O-OG1 2.93Å; A265-T268 PolarHBondContact O-N 3.37Å; T268-T270 VanDerWaalsContact C-N 3.27Å; T268-T270 PolarHBondContact O-N 2.85Å; T268-A271 PolarHBondContact O-N 2.94Å; T268-L272 HydrophobicContact CG2-CD1 4.17Å; T268-L272 WeakPolarHBondContact O-CG 3.36Å; T268-L272 PolarHBondContact O-N 3.16Å; T268-F285 HydrophobicContact CG2-CE1 3.56Å; T268-F285 HydrophobicContact CG2-CZ 3.84Å; T268-M302 HydrophobicContact CG2-SD 3.43Å; T268-M302 WeakPolarHBondContact CG2-SD 3.4Å
269	V	98.8	Very high	98.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-35	-179.3	176.4	0	0	0	0	111.1	A265 R273 M302 C305 L307 R309 L313	A265-V269 WeakPolarHBondContact O-CB 3.47Å; A265-V269 VanDerWaalsContact O-CG2 3.28Å; A265-V269 WeakPolarHBondContact O-CG2 3.05Å; A265-V269 PolarHBondContact O-N 3.37Å; V269-R273 HydrophobicContact CG1-CG 4.28Å; V269-R273 WeakPolarHBondContact O-CB 3.39Å; V269-R273 VanDerWaalsContact O-CG 3.23Å; V269-R273 WeakPolarHBondContact O-CG 3.47Å; V269-R273 PolarHBondContact O-N 3.33Å; V269-M302 HydrophobicContact CG2-CB 4.36Å; V269-M302 HydrophobicContact CG2-CG 4.35Å; V269-C305 HydrophobicContact CG2-CB 4.12Å; V269-L307 HydrophobicContact CG1-CB 3.84Å; V269-L307 HydrophobicContact CG1-CD1 4.17Å; V269-R309 HydrophobicContact CG1-CG 3.74Å; V269-L313 HydrophobicContact CG2-CD1 4.02Å
270	T	98.9	Very high	98.6	Very high	24 Å²	24	43.1 Å²	43.1	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-47.7	174.2	-63.2	0	0	0	0	112	M266 A267 T268 L272 R273 R274 L307	M266-T270 WeakPolarHBondContact O-CB 3.47Å; M266-T270 PolarHBondContact O-N 2.76Å; M266-T270 PolarHBondContact O-OG1 3.3Å; A267-T270 PolarHBondContact O-N 3.07Å; T268-T270 VanDerWaalsContact C-N 3.27Å; T268-T270 PolarHBondContact O-N 2.85Å; T270-L272 VanDerWaalsContact C-N 3.32Å; T270-L272 PolarHBondContact O-N 3.16Å; T270-R273 PolarHBondContact O-N 3.24Å; T270-R274 WeakPolarHBondContact O-CG 3.32Å; T270-R274 PolarHBondContact O-N 2.98Å; T270-R274 VanDerWaalsContact O-N 3.12Å; T270-L307 WeakPolarHBondContact OG1-CD1 3.36Å
271	A	98.9	Very high	98.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-43	179	0	0	0	0	0	111.8	Q218 T221 E222 V249 A267 T268 R274 T275	Q218-A271 HydrophobicContact CG-CB 4.1Å; T221-A271 HydrophobicContact CG2-CB 4.12Å; E222-A271 HydrophobicContact CG-CB 3.79Å; V249-A271 HydrophobicContact CG2-CB 4.05Å; A267-A271 WeakPolarHBondContact O-CB 3.33Å; A267-A271 PolarHBondContact O-N 3.5Å; T268-A271 PolarHBondContact O-N 2.94Å; A271-R274 PolarHBondContact O-N 3.23Å; A271-T275 PolarHBondContact O-N 2.73Å; A271-T275 PolarHBondContact O-OG1 3.2Å
272	L	98.9	Very high	98.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-47.7	176.7	-65.1	170.8	0	0	0	111.5	L225 L244 P246 T268 T270 R274 T275 V276 I283 F285 W311 L313	L225-L272 HydrophobicContact CD1-CD2 3.85Å; L244-L272 HydrophobicContact CD2-CD2 4.08Å; P246-L272 HydrophobicContact CG-CD2 4.33Å; T268-L272 HydrophobicContact CG2-CD1 4.17Å; T268-L272 WeakPolarHBondContact O-CG 3.36Å; T268-L272 PolarHBondContact O-N 3.16Å; T270-L272 VanDerWaalsContact C-N 3.32Å; T270-L272 PolarHBondContact O-N 3.16Å; L272-R274 PolarHBondContact O-N 2.69Å; L272-R274 VanDerWaalsContact O-N 3.15Å; L272-T275 PolarHBondContact O-N 3.04Å; L272-V276 HydrophobicContact CB-CG2 4.17Å; L272-V276 HydrophobicContact CD2-CG2 3.71Å; L272-V276 WeakPolarHBondContact O-CB 3.23Å; L272-V276 PolarHBondContact O-N 2.9Å; L272-I283 HydrophobicContact CD1-CG1 4.45Å; L272-I283 HydrophobicContact CD1-CG2 4.19Å; L272-I283 HydrophobicContact CD2-CG2 4.31Å; L272-F285 HydrophobicContact CD1-CE1 4.1Å; L272-F285 HydrophobicContact CD1-CZ 3.68Å; L272-W311 HydrophobicContact CB-CZ3 3.95Å; L272-L313 HydrophobicContact CD1-CD2 4.2Å
273	R	98.8	Very high	98.8	Very high	112 Å²	112	33 Å²	33	42%	0.423	17%	0.168	S	C	.	.	H	α-helix	trans	-58.2	-28.9	178	-77.6	172.1	59.2	68.5	4.7	113.9	V269 T270 H308 W311	V269-R273 HydrophobicContact CG1-CG 4.28Å; V269-R273 WeakPolarHBondContact O-CB 3.39Å; V269-R273 VanDerWaalsContact O-CG 3.23Å; V269-R273 WeakPolarHBondContact O-CG 3.47Å; V269-R273 PolarHBondContact O-N 3.33Å; T270-R273 PolarHBondContact O-N 3.24Å; R273-H308 VanDerWaalsContact CD-O 3.28Å; R273-H308 WeakPolarHBondContact CD-O 3.4Å; R273-H308 PolarHBondContact NH1-O 3.08Å; R273-W311 HydrophobicContact CG-CZ3 4.49Å
274	R	98.8	Very high	98.8	Very high	158 Å²	158	28.9 Å²	28.9	60%	0.596	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-14	179.4	-74.9	171.4	173.2	174.4	-0.8	113.8	E222 T270 A271 L272	E222-R274 VanDerWaalsContact CD-CD 3.49Å; E222-R274 WeakPolarHBondContact OE1-CD 3.47Å; E222-R274 IonicContact OE1-CZ 3.95Å; E222-R274 IonicContact OE1-NE 3.28Å; E222-R274 IonicContact OE1-NH1 2.98Å; E222-R274 PolarHBondContact OE1-NH1 3.28Å; E222-R274 IonicContact OE2-NH1 2.73Å; E222-R274 PolarHBondContact OE2-NH1 3.38Å; T270-R274 WeakPolarHBondContact O-CG 3.32Å; T270-R274 PolarHBondContact O-N 2.98Å; T270-R274 VanDerWaalsContact O-N 3.12Å; A271-R274 PolarHBondContact O-N 3.23Å; L272-R274 PolarHBondContact O-N 2.69Å; L272-R274 VanDerWaalsContact O-N 3.15Å
275	T	98.9	Very high	98.8	Very high	22 Å²	22	28.5 Å²	28.5	14%	0.135	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-31.1	-165.1	56.9	0	0	0	0	115.4	E222 L225 A226 Y229 A271 L272	E222-T275 HydrophobicContact CB-CG2 4.18Å; E222-T275 HydrophobicContact CG-CG2 4.39Å; E222-T275 WeakPolarHBondContact O-CG2 3.09Å; L225-T275 HydrophobicContact CB-CG2 4.23Å; L225-T275 WeakPolarHBondContact CB-OG1 3.34Å; A226-T275 HydrophobicContact CB-CG2 4.31Å; Y229-T275 WeakPolarHBondContact CD2-O 3.06Å; A271-T275 PolarHBondContact O-N 2.73Å; A271-T275 PolarHBondContact O-OG1 3.2Å; L272-T275 PolarHBondContact O-N 3.04Å
276	V	98.9	Very high	98.8	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.048	15%	0.148	C	C	.	.	S	Bend	trans	-88	129.2	-177.4	-176.1	0	0	0	0	109.5	L225 Y229 L244 L272 V280 I283 W311	L225-V276 HydrophobicContact CD1-CG2 4.45Å; Y229-V276 HydrophobicContact CE1-CG1 4.42Å; Y229-V276 HydrophobicContact CE2-CB 4.1Å; Y229-V276 HydrophobicContact CE2-CG1 4.06Å; Y229-V276 HydrophobicContact CE2-CG2 3.72Å; Y229-V276 WeakPolarHBondContact OH-CG1 3.43Å; L244-V276 HydrophobicContact CD2-CG2 4Å; L272-V276 HydrophobicContact CB-CG2 4.17Å; L272-V276 HydrophobicContact CD2-CG2 3.71Å; L272-V276 WeakPolarHBondContact O-CB 3.23Å; L272-V276 PolarHBondContact O-N 2.9Å; V276-V280 HydrophobicContact CG1-CB 4.06Å; V276-V280 HydrophobicContact CG1-CG2 3.86Å; V276-I283 HydrophobicContact CG1-CD1 4.08Å; V276-W311 HydrophobicContact CB-CH2 3.71Å; V276-W311 HydrophobicContact CB-CZ2 3.63Å; V276-W311 HydrophobicContact CB-CZ3 4.21Å; V276-W311 HydrophobicContact CG1-CD2 4.07Å; V276-W311 HydrophobicContact CG1-CH2 4.21Å; V276-W311 HydrophobicContact CG1-CZ2 3.69Å; V276-W311 WeakPolarHBondContact O-CH2 3.23Å; V276-W311 WeakPolarHBondContact O-CZ2 3.36Å
277	P	98.9	Very high	98.6	Very high	42 Å²	42	25.6 Å²	25.6	27%	0.273	13%	0.133	S	C	.	.			trans	-70.1	142.1	172	-23.9	36.6	0	0	0	112.5	Y229 L239 A279 V280 W311	Y229-P277 HydrophobicContact CD1-CG 3.88Å; Y229-P277 HydrophobicContact CE1-CG 4.4Å; Y229-P277 HydrophobicContact CG-CG 4.25Å; L239-P277 HydrophobicContact CD1-CB 3.8Å; L239-P277 HydrophobicContact CD1-CG 3.72Å; P277-A279 PolarHBondContact O-N 3.05Å; P277-V280 PolarHBondContact O-N 2.68Å; P277-W311 PolarHBondContact O-NE1 3.41Å
278	P	98.8	Very high	98.2	Very high	94 Å²	94	25.9 Å²	25.9	61%	0.61	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-21	177.7	-29.2	37	0	0	0	116	V280 P310	P278-V280 VanDerWaalsContact C-N 3.26Å; P278-V280 PolarHBondContact O-N 3.07Å; P278-P310 HydrophobicContact CB-CB 4.12Å; P278-P310 HydrophobicContact CB-CG 4.06Å; P278-P310 HydrophobicContact CG-CG 4.27Å
279	A	98.9	Very high	97.6	Very high	38 Å²	38	26.3 Å²	26.3	31%	0.314	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.9	-179.8	0	0	0	0	0	114.4	L239 E240 P277 P281	L239-A279 HydrophobicContact CB-CB 4.04Å; E240-A279 WeakPolarHBondContact CA-O 3.13Å; E240-A279 HydrophobicContact CG-CB 4.18Å; P277-A279 PolarHBondContact O-N 3.05Å; A279-P281 WeakPolarHBondContact O-CD 3.44Å
280	V	98.9	Very high	97.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.144	C	C	.	.			trans	-66.3	125.6	179	177.8	0	0	0	0	110.1	Y229 L239 V276 P277 P278 G282 I283	Y229-V280 HydrophobicContact CE1-CG2 3.62Å; L239-V280 HydrophobicContact CB-CG2 4.22Å; L239-V280 HydrophobicContact CD1-CG2 4.49Å; V276-V280 HydrophobicContact CG1-CB 4.06Å; V276-V280 HydrophobicContact CG1-CG2 3.86Å; P277-V280 PolarHBondContact O-N 2.68Å; P278-V280 VanDerWaalsContact C-N 3.26Å; P278-V280 PolarHBondContact O-N 3.07Å; V280-G282 PolarHBondContact O-N 3.35Å; V280-I283 HydrophobicContact CG1-CD1 4.18Å
281	P	98.8	Very high	97.2	Very high	10 Å²	10	26.3 Å²	26.3	7%	0.065	14%	0.141	C	C	.	.			trans	-62.6	-40.1	-177.9	-27.7	36.1	0	0	0	114.2	A35 V39 L239 E240 T242 L243 A279 A312	A35-P281 HydrophobicContact CB-CB 4.21Å; A35-P281 HydrophobicContact CB-CG 3.84Å; V39-P281 HydrophobicContact CG2-CB 4.38Å; L239-P281 VanDerWaalsContact O-CD 3.3Å; L239-P281 WeakPolarHBondContact O-CD 3.34Å; E240-P281 WeakPolarHBondContact O-CG 3.4Å; T242-P281 VanDerWaalsContact O-CD 3.27Å; T242-P281 WeakPolarHBondContact O-CD 3.41Å; L243-P281 HydrophobicContact CD2-CB 4.12Å; A279-P281 WeakPolarHBondContact O-CD 3.44Å; P281-A312 PolarHBondContact O-N 2.71Å; P281-A312 VanDerWaalsContact O-N 3.12Å
282	G	98.8	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	155.4	-173.5	0	0	0	0	0	115.3	L244 V280 A312	L244-G282 PolarHBondContact N-O 3.35Å; V280-G282 PolarHBondContact O-N 3.35Å; G282-A312 CarbonylContact C-O 3.58Å; G282-A312 WeakPolarHBondContact CA-O 3.44Å
283	I	98.9	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115	175.6	-43.4	-58.2	0	0	0	107.4	L244 P246 L272 V276 V280 F285 W311 A312 L313 T314	L244-I283 HydrophobicContact CB-CD1 3.87Å; L244-I283 HydrophobicContact CD2-CD1 4Å; L244-I283 HydrophobicContact CD2-CG2 4.44Å; L244-I283 CarbonylContact O-C 3.59Å; L244-I283 WeakPolarHBondContact O-CA 3.43Å; P246-I283 VanDerWaalsContact CD-CG2 3.47Å; P246-I283 HydrophobicContact CG-CG2 3.48Å; P246-I283 VanDerWaalsContact CG-CG2 3.48Å; L272-I283 HydrophobicContact CD1-CG1 4.45Å; L272-I283 HydrophobicContact CD1-CG2 4.19Å; L272-I283 HydrophobicContact CD2-CG2 4.31Å; V276-I283 HydrophobicContact CG1-CD1 4.08Å; V280-I283 HydrophobicContact CG1-CD1 4.18Å; I283-F285 HydrophobicContact CB-CE2 4.45Å; I283-F285 HydrophobicContact CG2-CD1 4.38Å; I283-F285 HydrophobicContact CG2-CD2 4.48Å; I283-F285 HydrophobicContact CG2-CE1 3.96Å; I283-F285 HydrophobicContact CG2-CE2 4.06Å; I283-F285 HydrophobicContact CG2-CZ 3.79Å; I283-W311 HydrophobicContact CD1-CB 4.47Å; I283-W311 HydrophobicContact CD1-CD2 4.42Å; I283-W311 HydrophobicContact CD1-CG 4.39Å; I283-W311 HydrophobicContact CG1-CB 4.09Å; I283-W311 HydrophobicContact CG1-CD2 4.47Å; I283-W311 HydrophobicContact CG1-CE3 4.35Å; I283-W311 HydrophobicContact CG1-CG 4.41Å; I283-A312 PolarHBondContact N-O 2.9Å; I283-L313 HydrophobicContact CB-CD2 3.68Å; I283-L313 HydrophobicContact CG1-CD2 3.62Å; I283-L313 HydrophobicContact CG2-CD2 4.45Å; I283-T314 PolarHBondContact O-N 2.89Å
284	T	98.9	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	80.7	-173.8	54	0	0	0	0	109.5	V39 I45 L243 L244 K245 L286 T314 S316	V39-T284 HydrophobicContact CG1-CG2 3.67Å; I45-T284 HydrophobicContact CD1-CG2 3.81Å; I45-T284 HydrophobicContact CG1-CG2 4.5Å; L243-T284 HydrophobicContact CD1-CG2 4.28Å; L244-T284 PolarHBondContact O-N 3.14Å; L244-T284 PolarHBondContact O-OG1 3.26Å; K245-T284 WeakPolarHBondContact CA-O 3.33Å; K245-T284 WeakPolarHBondContact CB-O 3.32Å; K245-T284 VanDerWaalsContact CG-O 3.22Å; K245-T284 WeakPolarHBondContact CG-O 3.39Å; T284-L286 PolarHBondContact O-N 3.12Å; T284-T314 CarbonylContact C-O 3.57Å; T284-T314 WeakPolarHBondContact CA-O 3.44Å; T284-T314 HydrophobicContact CG2-CG2 3.65Å; T284-S316 WeakPolarHBondContact O-CB 3.47Å
285	F	98.9	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	138.9	-169.2	-66.7	-80.5	0	0	0	113.5	P246 M248 T268 L272 I283 L299 M302 L313 T314 S316 Y317	P246-F285 HydrophobicContact CG-CD1 3.84Å; P246-F285 HydrophobicContact CG-CE1 3.84Å; M248-F285 HydrophobicContact CE-CB 4.01Å; M248-F285 HydrophobicContact CE-CG 4.27Å; M248-F285 HydrophobicContact CG-CB 4.34Å; M248-F285 HydrophobicContact CG-CD1 3.77Å; M248-F285 HydrophobicContact CG-CE1 4.31Å; M248-F285 HydrophobicContact CG-CG 4.12Å; T268-F285 HydrophobicContact CG2-CE1 3.56Å; T268-F285 HydrophobicContact CG2-CZ 3.84Å; L272-F285 HydrophobicContact CD1-CE1 4.1Å; L272-F285 HydrophobicContact CD1-CZ 3.68Å; I283-F285 HydrophobicContact CB-CE2 4.45Å; I283-F285 HydrophobicContact CG2-CD1 4.38Å; I283-F285 HydrophobicContact CG2-CD2 4.48Å; I283-F285 HydrophobicContact CG2-CE1 3.96Å; I283-F285 HydrophobicContact CG2-CE2 4.06Å; I283-F285 HydrophobicContact CG2-CZ 3.79Å; F285-L299 HydrophobicContact CD2-CD1 4.02Å; F285-L299 HydrophobicContact CE2-CD1 4.41Å; F285-M302 HydrophobicContact CD1-CE 4.29Å; F285-M302 HydrophobicContact CD2-CE 3.54Å; F285-M302 HydrophobicContact CD2-SD 4.42Å; F285-M302 HydrophobicContact CE1-CE 4.15Å; F285-M302 HydrophobicContact CE1-SD 3.98Å; F285-M302 HydrophobicContact CE2-CE 3.38Å; F285-M302 HydrophobicContact CE2-SD 3.72Å; F285-M302 HydrophobicContact CG-CE 4Å; F285-M302 HydrophobicContact CZ-CE 3.7Å; F285-M302 HydrophobicContact CZ-SD 3.45Å; F285-M302 WeakPolarHBondContact CZ-SD 3.44Å; F285-L313 HydrophobicContact CE2-CB 4.18Å; F285-L313 HydrophobicContact CE2-CD2 4.08Å; F285-L313 HydrophobicContact CZ-CD2 4.26Å; F285-T314 WeakPolarHBondContact CD2-O 3.39Å; F285-T314 PolarHBondContact N-O 2.9Å; F285-S316 CarbonylContact O-C 3.52Å; F285-S316 PolarHBondContact O-N 3.33Å; F285-Y317 HydrophobicContact CB-CE1 4.34Å; F285-Y317 WeakPolarHBondContact O-CD1 3.4Å; F285-Y317 WeakPolarHBondContact O-CE1 3.19Å
286	L	98.4	Very high	96.7	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.052	11%	0.105	C	C	.	.			trans	-73.9	145.5	161.1	63.1	92	0	0	0	109.6	E203 E205 K245 P246 N247 T284 G288	E203-L286 HydrophobicContact CG-CD2 4.12Å; E205-L286 HydrophobicContact CB-CD2 3.65Å; E205-L286 HydrophobicContact CG-CD1 4.1Å; E205-L286 HydrophobicContact CG-CD2 3.58Å; K245-L286 HydrophobicContact CG-CB 4.16Å; P246-L286 WeakPolarHBondContact O-CG 3.25Å; P246-L286 PolarHBondContact O-N 3.17Å; P246-L286 VanDerWaalsContact O-N 3.16Å; N247-L286 HydrophobicContact CB-CD1 4.12Å; N247-L286 HydrophobicContact CB-CD2 4.49Å; N247-L286 HydrophobicContact CB-CG 4.45Å; T284-L286 PolarHBondContact O-N 3.12Å; L286-G288 VanDerWaalsContact C-N 3.34Å; L286-G288 VanDerWaalsContact CD1-N 3.34Å
287	S	94.7	Very high	96.7	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.042	11%	0.112	C	C	.	.			trans	-78.1	-22	176.1	63.9	0	0	0	0	112.6	G289 Q290	S287-G289 PolarHBondContact O-N 3.44Å; S287-Q290 VanDerWaalsContact O-CB 3.3Å; S287-Q290 WeakPolarHBondContact O-CB 3.49Å; S287-Q290 WeakPolarHBondContact O-CG 3.39Å; S287-Q290 PolarHBondContact O-N 3.44Å; S287-Q290 VanDerWaalsContact O-N 3.15Å; S287-Q290 PolarHBondContact O-NE2 3.22Å; S287-Q290 VanDerWaalsContact O-NE2 3.09Å
288	G	88.9	Confident	96.7	Very high	11 Å²	11	15.7 Å²	15.7	11%	0.113	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-131.5	-177.8	0	0	0	0	0	110.6	L286 R319	L286-G288 VanDerWaalsContact C-N 3.34Å; L286-G288 VanDerWaalsContact CD1-N 3.34Å; G288-R319 PolarHBondContact O-NE 3.37Å; G288-R319 PolarHBondContact O-NH2 3.46Å
289	G	86.7	Confident	96.7	Very high	11 Å²	11	11.2 Å²	11.2	11%	0.113	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.9	177.1	0	0	0	0	0	115.8	S287 L371 F372	S287-G289 PolarHBondContact O-N 3.44Å; G289-L371 CarbonylContact O-C 3.2Å; G289-L371 PolarHBondContact O-N 3.34Å; G289-L371 VanDerWaalsContact O-N 3.12Å; G289-F372 PolarHBondContact O-N 3.46Å
290	Q	93.4	Very high	96.7	Very high	15 Å²	15	10 Å²	10	7%	0.07	6%	0.058	C	C	.	.			trans	-61.1	150.1	179.9	-66	174	79	0	0	111.1	M248 S287 E294 A295 N298 L371	M248-Q290 PolarHBondContact SD-NE2 3Å; S287-Q290 VanDerWaalsContact O-CB 3.3Å; S287-Q290 WeakPolarHBondContact O-CB 3.49Å; S287-Q290 WeakPolarHBondContact O-CG 3.39Å; S287-Q290 PolarHBondContact O-N 3.44Å; S287-Q290 VanDerWaalsContact O-N 3.15Å; S287-Q290 PolarHBondContact O-NE2 3.22Å; S287-Q290 VanDerWaalsContact O-NE2 3.09Å; Q290-E294 WeakPolarHBondContact CA-OE2 3.44Å; Q290-E294 HydrophobicContact CB-CB 4.25Å; Q290-E294 HydrophobicContact CB-CG 4.13Å; Q290-E294 HydrophobicContact CG-CG 4.14Å; Q290-A295 HydrophobicContact CB-CB 4.21Å; Q290-N298 PolarHBondContact OE1-ND2 2.84Å; Q290-L371 WeakPolarHBondContact O-CB 3.41Å; Q290-L371 WeakPolarHBondContact O-CD1 3.21Å; Q290-L371 WeakPolarHBondContact O-CG 3.14Å
291	S	95.8	Very high	96.7	Very high	10 Å²	10	10.2 Å²	10.2	7%	0.07	6%	0.06	C	C	.	.			trans	-62.1	165.8	167.2	74.5	0	0	0	0	111.1	E293 E294 A295 G367 G368 E369	S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 PolarHBondContact O-N 3Å; S291-E294 PolarHBondContact N-OE2 3.28Å; S291-E294 WeakPolarHBondContact OG-CB 3.44Å; S291-E294 PolarHBondContact OG-N 2.93Å; S291-A295 WeakPolarHBondContact O-CB 3.48Å; S291-A295 PolarHBondContact O-N 3.39Å; S291-A295 VanDerWaalsContact O-N 3.12Å; S291-G367 WeakPolarHBondContact CB-O 3.48Å; S291-G368 WeakPolarHBondContact CB-O 3.29Å; S291-E369 VanDerWaalsContact CA-O 3.31Å; S291-E369 WeakPolarHBondContact CA-O 3.24Å; S291-E369 WeakPolarHBondContact CB-O 3.4Å
292	E	96.8	Very high	96.7	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-58.6	-48.5	176.2	-61.8	-170.6	134.9	0	0	109.7	A295 S296 A323 S324 R346 G367 L371	E292-A295 PolarHBondContact O-N 3.09Å; E292-S296 PolarHBondContact O-N 3.07Å; E292-A323 HydrophobicContact CG-CB 4.02Å; E292-A323 WeakPolarHBondContact OE1-CB 3.37Å; E292-A323 PolarHBondContact OE1-N 3.35Å; E292-S324 PolarHBondContact OE1-N 3.05Å; E292-S324 VanDerWaalsContact OE2-CB 3.23Å; E292-S324 WeakPolarHBondContact OE2-CB 3.43Å; E292-S324 PolarHBondContact OE2-OG 2.88Å; E292-R346 PolarHBondContact O-NH2 3.05Å; E292-G367 PolarHBondContact N-O 2.9Å; E292-L371 HydrophobicContact CG-CD1 3.91Å
293	E	95.9	Very high	96.7	Very high	18 Å²	18	11.2 Å²	11.2	8%	0.084	7%	0.065	C	C	.	.	H	α-helix	trans	-66.4	-44.7	-177.5	-173.9	61.7	-173.9	0	0	112.8	S291 A295 S296 V297 R346 Y358 S360 A365 G367	S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 PolarHBondContact O-N 3Å; E293-A295 VanDerWaalsContact C-N 3.27Å; E293-A295 PolarHBondContact O-N 3.24Å; E293-S296 PolarHBondContact O-N 3.38Å; E293-S296 VanDerWaalsContact O-N 3.08Å; E293-V297 HydrophobicContact CG-CG2 4.25Å; E293-V297 WeakPolarHBondContact O-CG2 3.27Å; E293-V297 PolarHBondContact O-N 3.33Å; E293-R346 IonicContact OE2-CZ 2.89Å; E293-R346 IonicContact OE2-NH1 3.74Å; E293-R346 PolarHBondContact OE2-NH1 3.3Å; E293-R346 IonicContact OE2-NH2 3.77Å; E293-Y358 WeakPolarHBondContact OE1-CE1 3.16Å; E293-Y358 PolarHBondContact OE1-OH 2.7Å; E293-Y358 PolarHBondContact OE2-OH 3.14Å; E293-S360 VanDerWaalsContact OE1-CB 3.31Å; E293-S360 WeakPolarHBondContact OE1-CB 3.39Å; E293-S360 PolarHBondContact OE1-OG 3.09Å; E293-A365 HydrophobicContact CG-CB 4.17Å; E293-G367 PolarHBondContact N-O 3.05Å; E293-G367 VanDerWaalsContact N-O 3.15Å
294	E	95.9	Very high	96.6	Very high	71 Å²	71	16.4 Å²	16.4	33%	0.332	9%	0.089	S	C	.	.	H	α-helix	trans	-57.1	-42.7	177.2	-179.1	-178.8	-163.3	0	0	111.2	Q290 S291 S296 V297 N298	Q290-E294 WeakPolarHBondContact CA-OE2 3.44Å; Q290-E294 HydrophobicContact CB-CB 4.25Å; Q290-E294 HydrophobicContact CB-CG 4.13Å; Q290-E294 HydrophobicContact CG-CG 4.14Å; S291-E294 PolarHBondContact N-OE2 3.28Å; S291-E294 WeakPolarHBondContact OG-CB 3.44Å; S291-E294 PolarHBondContact OG-N 2.93Å; E294-S296 VanDerWaalsContact C-N 3.29Å; E294-S296 PolarHBondContact O-N 3.42Å; E294-V297 PolarHBondContact O-N 3.31Å; E294-N298 WeakPolarHBondContact CG-ND2 3.39Å; E294-N298 WeakPolarHBondContact O-CB 3.45Å; E294-N298 PolarHBondContact O-N 2.99Å; E294-N298 PolarHBondContact O-ND2 3.22Å
295	A	97.9	Very high	96.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.8	-33.3	178.2	0	0	0	0	0	113.1	Q290 S291 E292 E293 L299 Y317 A320	Q290-A295 HydrophobicContact CB-CB 4.21Å; S291-A295 WeakPolarHBondContact O-CB 3.48Å; S291-A295 PolarHBondContact O-N 3.39Å; S291-A295 VanDerWaalsContact O-N 3.12Å; E292-A295 PolarHBondContact O-N 3.09Å; E293-A295 VanDerWaalsContact C-N 3.27Å; E293-A295 PolarHBondContact O-N 3.24Å; A295-L299 VanDerWaalsContact O-CB 3.28Å; A295-L299 WeakPolarHBondContact O-CB 3.47Å; A295-L299 PolarHBondContact O-N 3.2Å; A295-Y317 HydrophobicContact CB-CD2 4.37Å; A295-Y317 HydrophobicContact CB-CE2 3.65Å; A295-Y317 PolarHBondContact O-OH 3.29Å; A295-A320 HydrophobicContact CB-CB 3.72Å
296	S	98.4	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-75.4	-44.5	173.1	-70.2	0	0	0	0	112.3	E292 E293 E294 L299 N300 R346 N350 A353	E292-S296 PolarHBondContact O-N 3.07Å; E293-S296 PolarHBondContact O-N 3.38Å; E293-S296 VanDerWaalsContact O-N 3.08Å; E294-S296 VanDerWaalsContact C-N 3.29Å; E294-S296 PolarHBondContact O-N 3.42Å; S296-L299 PolarHBondContact O-N 2.98Å; S296-N300 VanDerWaalsContact O-CB 3.28Å; S296-N300 WeakPolarHBondContact O-CB 3.36Å; S296-N300 PolarHBondContact O-N 2.93Å; S296-R346 PolarHBondContact OG-NH2 3.09Å; S296-N350 VanDerWaalsContact OG-CG 3.3Å; S296-N350 PolarHBondContact OG-OD1 2.95Å; S296-A353 WeakPolarHBondContact O-CB 3.43Å
297	V	98.1	Very high	96.4	Very high	31 Å²	31	24.1 Å²	24.1	19%	0.188	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-42.2	-177.8	176.8	0	0	0	0	110.9	N261 E293 E294 N300 A301 Y358	N261-V297 HydrophobicContact CB-CG1 4.02Å; N261-V297 VanDerWaalsContact CG-CG1 3.47Å; N261-V297 WeakPolarHBondContact ND2-CG1 3.33Å; E293-V297 HydrophobicContact CG-CG2 4.25Å; E293-V297 WeakPolarHBondContact O-CG2 3.27Å; E293-V297 PolarHBondContact O-N 3.33Å; E294-V297 PolarHBondContact O-N 3.31Å; V297-N300 PolarHBondContact O-N 3.44Å; V297-A301 WeakPolarHBondContact O-CB 3.32Å; V297-A301 PolarHBondContact O-N 3.25Å; V297-Y358 HydrophobicContact CG2-CD1 4.45Å; V297-Y358 HydrophobicContact CG2-CE1 4.04Å
298	N	98.6	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-43.9	175.5	-78.3	-33.8	0	0	0	112.1	M248 N261 I264 Q290 E294 N300 A301 M302	M248-N298 HydrophobicContact CE-CB 4.26Å; M248-N298 HydrophobicContact SD-CB 3.54Å; M248-N298 VanDerWaalsContact SD-CB 3.54Å; N261-N298 WeakPolarHBondContact CB-OD1 3.36Å; N261-N298 PolarHBondContact OD1-OD1 3.12Å; I264-N298 HydrophobicContact CG2-CB 4.42Å; Q290-N298 PolarHBondContact OE1-ND2 2.84Å; E294-N298 WeakPolarHBondContact CG-ND2 3.39Å; E294-N298 WeakPolarHBondContact O-CB 3.45Å; E294-N298 PolarHBondContact O-N 2.99Å; E294-N298 PolarHBondContact O-ND2 3.22Å; N298-N300 VanDerWaalsContact C-N 3.29Å; N298-N300 PolarHBondContact O-N 2.94Å; N298-A301 PolarHBondContact O-N 3.17Å; N298-M302 WeakPolarHBondContact O-CG 3.45Å; N298-M302 PolarHBondContact O-N 3.42Å
299	L	98.8	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-39.7	175.7	-180	61.2	0	0	0	112.2	M248 F285 A295 S296 M302 N303 F315 A353 C354	M248-L299 HydrophobicContact CE-CB 4.27Å; F285-L299 HydrophobicContact CD2-CD1 4.02Å; F285-L299 HydrophobicContact CE2-CD1 4.41Å; A295-L299 VanDerWaalsContact O-CB 3.28Å; A295-L299 WeakPolarHBondContact O-CB 3.47Å; A295-L299 PolarHBondContact O-N 3.2Å; S296-L299 PolarHBondContact O-N 2.98Å; L299-M302 HydrophobicContact CB-CE 4.41Å; L299-M302 HydrophobicContact CD1-CE 3.94Å; L299-M302 PolarHBondContact O-N 3.13Å; L299-N303 PolarHBondContact O-N 3.07Å; L299-N303 VanDerWaalsContact O-N 3.13Å; L299-N303 PolarHBondContact O-ND2 3.45Å; L299-F315 HydrophobicContact CD2-CB 3.92Å; L299-F315 HydrophobicContact CD2-CD1 3.84Å; L299-F315 HydrophobicContact CD2-CG 4.34Å; L299-A353 HydrophobicContact CB-CB 4.15Å; L299-A353 HydrophobicContact CD2-CB 4.09Å; L299-A353 HydrophobicContact CG-CB 4.12Å; L299-C354 HydrophobicContact CD2-CB 4.12Å
300	N	98.8	Very high	97.5	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-48.6	175.6	-174	73.8	0	0	0	111.6	S296 V297 N298 M302 N303 Q304 A353 G356 K357 Y358	S296-N300 VanDerWaalsContact O-CB 3.28Å; S296-N300 WeakPolarHBondContact O-CB 3.36Å; S296-N300 PolarHBondContact O-N 2.93Å; V297-N300 PolarHBondContact O-N 3.44Å; N298-N300 VanDerWaalsContact C-N 3.29Å; N298-N300 PolarHBondContact O-N 2.94Å; N300-M302 VanDerWaalsContact C-N 3.27Å; N300-M302 PolarHBondContact O-N 3.27Å; N300-N303 PolarHBondContact O-N 3.08Å; N300-N303 VanDerWaalsContact O-N 3.08Å; N300-Q304 VanDerWaalsContact ND2-CD 3.28Å; N300-Q304 PolarHBondContact ND2-NE2 2.96Å; N300-Q304 VanDerWaalsContact ND2-NE2 3.12Å; N300-Q304 PolarHBondContact ND2-OE1 3.42Å; N300-Q304 WeakPolarHBondContact O-CG 3.39Å; N300-Q304 PolarHBondContact O-N 2.93Å; N300-A353 WeakPolarHBondContact CA-O 3.49Å; N300-A353 HydrophobicContact CB-CB 3.97Å; N300-G356 WeakPolarHBondContact OD1-CA 3.2Å; N300-K357 PolarHBondContact OD1-N 2.75Å; N300-K357 VanDerWaalsContact OD1-N 3.1Å; N300-Y358 PolarHBondContact ND2-O 3.18Å; N300-Y358 WeakPolarHBondContact OD1-CB 3.15Å; N300-Y358 PolarHBondContact OD1-N 2.92Å; N300-Y358 PolarHBondContact OD1-O 3.43Å
301	A	98.6	Very high	97.8	Very high	6 Å²	6	35 Å²	35	5%	0.05	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-39	176.7	0	0	0	0	0	111.6	N261 A265 V297 N298 N303 Q304 C305	N261-A301 HydrophobicContact CB-CB 4.11Å; A265-A301 VanDerWaalsContact CB-C 3.44Å; A265-A301 HydrophobicContact CB-CB 3.78Å; V297-A301 WeakPolarHBondContact O-CB 3.32Å; V297-A301 PolarHBondContact O-N 3.25Å; N298-A301 PolarHBondContact O-N 3.17Å; A301-N303 VanDerWaalsContact C-N 3.33Å; A301-N303 PolarHBondContact O-N 3.21Å; A301-Q304 CarbonylContact O-C 3.47Å; A301-Q304 PolarHBondContact O-N 3.39Å; A301-C305 PolarHBondContact O-N 2.96Å
302	M	98.8	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-37	174.4	-77.5	-169	-64.2	0	0	113.3	M248 A265 T268 V269 F285 N298 L299 N300 C305 R309 L313	M248-M302 HydrophobicContact CE-CE 3.47Å; M248-M302 VanDerWaalsContact CE-CE 3.47Å; M248-M302 HydrophobicContact CG-CE 3.85Å; M248-M302 HydrophobicContact CG-SD 4.39Å; M248-M302 HydrophobicContact SD-CE 3.61Å; A265-M302 HydrophobicContact CB-CB 4.45Å; A265-M302 HydrophobicContact CB-CG 3.88Å; T268-M302 HydrophobicContact CG2-SD 3.43Å; T268-M302 WeakPolarHBondContact CG2-SD 3.4Å; V269-M302 HydrophobicContact CG2-CB 4.36Å; V269-M302 HydrophobicContact CG2-CG 4.35Å; F285-M302 HydrophobicContact CD1-CE 4.29Å; F285-M302 HydrophobicContact CD2-CE 3.54Å; F285-M302 HydrophobicContact CD2-SD 4.42Å; F285-M302 HydrophobicContact CE1-CE 4.15Å; F285-M302 HydrophobicContact CE1-SD 3.98Å; F285-M302 HydrophobicContact CE2-CE 3.38Å; F285-M302 HydrophobicContact CE2-SD 3.72Å; F285-M302 HydrophobicContact CG-CE 4Å; F285-M302 HydrophobicContact CZ-CE 3.7Å; F285-M302 HydrophobicContact CZ-SD 3.45Å; F285-M302 WeakPolarHBondContact CZ-SD 3.44Å; N298-M302 WeakPolarHBondContact O-CG 3.45Å; N298-M302 PolarHBondContact O-N 3.42Å; L299-M302 HydrophobicContact CB-CE 4.41Å; L299-M302 HydrophobicContact CD1-CE 3.94Å; L299-M302 PolarHBondContact O-N 3.13Å; N300-M302 VanDerWaalsContact C-N 3.27Å; N300-M302 PolarHBondContact O-N 3.27Å; M302-C305 WeakPolarHBondContact O-CB 3.42Å; M302-R309 PolarHBondContact O-NH1 3.36Å; M302-L313 HydrophobicContact CB-CD1 4.24Å
303	N	98.7	Very high	98	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.16	19%	0.193	C	C	.	.	H	α-helix	trans	-79.4	-18.6	176.2	-80.6	-73.3	0	0	0	113.4	L299 N300 A301 R309 L313 A353 C354	L299-N303 PolarHBondContact O-N 3.07Å; L299-N303 VanDerWaalsContact O-N 3.13Å; L299-N303 PolarHBondContact O-ND2 3.45Å; N300-N303 PolarHBondContact O-N 3.08Å; N300-N303 VanDerWaalsContact O-N 3.08Å; A301-N303 VanDerWaalsContact C-N 3.33Å; A301-N303 PolarHBondContact O-N 3.21Å; N303-R309 VanDerWaalsContact O-CZ 3.3Å; N303-R309 PolarHBondContact O-NH1 2.92Å; N303-R309 PolarHBondContact O-NH2 2.93Å; N303-L313 PolarHBondContact ND2-O 3.12Å; N303-A353 PolarHBondContact ND2-O 3.49Å; N303-C354 VanDerWaalsContact CG-O 3.32Å; N303-C354 WeakPolarHBondContact ND2-CA 3.19Å; N303-C354 PolarHBondContact OD1-O 3.25Å
304	Q	98.3	Very high	98.1	Very high	109 Å²	109	35.6 Å²	35.6	51%	0.509	19%	0.19	S	C	.	.	H	α-helix	trans	-91.2	-11.5	171.7	-67.4	179.1	-12.2	0	0	113.7	N300 A301 G356	N300-Q304 VanDerWaalsContact ND2-CD 3.28Å; N300-Q304 PolarHBondContact ND2-NE2 2.96Å; N300-Q304 VanDerWaalsContact ND2-NE2 3.12Å; N300-Q304 PolarHBondContact ND2-OE1 3.42Å; N300-Q304 WeakPolarHBondContact O-CG 3.39Å; N300-Q304 PolarHBondContact O-N 2.93Å; A301-Q304 CarbonylContact O-C 3.47Å; A301-Q304 PolarHBondContact O-N 3.39Å; Q304-G356 PolarHBondContact NE2-O 3.48Å
305	C	97.4	Very high	98.3	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.054	17%	0.174	C	C	.	.			trans	-52.3	136	178.1	-179.5	0	0	0	0	111.2	V269 A301 M302 L307 R309	V269-C305 HydrophobicContact CG2-CB 4.12Å; A301-C305 PolarHBondContact O-N 2.96Å; M302-C305 WeakPolarHBondContact O-CB 3.42Å; C305-L307 PolarHBondContact O-N 3.11Å; C305-R309 VanDerWaalsContact N-NH1 3.14Å; C305-R309 PolarHBondContact O-NH1 3.43Å; C305-R309 PolarHBondContact O-NH2 3.18Å
306	P	97.3	Very high	98.3	Very high	116 Å²	116	32.3 Å²	32.3	75%	0.753	17%	0.174	S	C	*	.	S	Bend	trans	-75.2	-7.8	-175.2	29.8	-36.7	0	0	0	113.9	M266	M266-P306 HydrophobicContact CE-CG 4.19Å
307	L	97.4	Very high	98.4	Very high	49 Å²	49	32.3 Å²	32.3	26%	0.257	17%	0.174	S	C	.	.	S	Bend	trans	-74.4	143.4	178.6	-60.8	-176.2	0	0	0	111.4	M266 V269 T270 C305	M266-L307 HydrophobicContact CE-CG 4.37Å; M266-L307 HydrophobicContact SD-CD1 3.56Å; M266-L307 VanDerWaalsContact SD-CD1 3.56Å; M266-L307 HydrophobicContact SD-CG 3.97Å; V269-L307 HydrophobicContact CG1-CB 3.84Å; V269-L307 HydrophobicContact CG1-CD1 4.17Å; T270-L307 WeakPolarHBondContact OG1-CD1 3.36Å; C305-L307 PolarHBondContact O-N 3.11Å
308	H	97	Very high	98.3	Very high	129 Å²	129	31.2 Å²	31.2	60%	0.597	17%	0.169	S	C	*	.			trans	-62.5	137	175	177.4	73	0	0	0	111.7	R273	R273-H308 VanDerWaalsContact CD-O 3.28Å; R273-H308 WeakPolarHBondContact CD-O 3.4Å; R273-H308 PolarHBondContact NH1-O 3.08Å
309	R	97.4	Very high	98.2	Very high	73 Å²	73	32.8 Å²	32.8	28%	0.275	18%	0.175	S	C	.	.			trans	-132.3	106	-179.1	-62.5	155.7	-64.4	-137.2	-2.7	107.9	V269 M302 N303 C305 W311 L313	V269-R309 HydrophobicContact CG1-CG 3.74Å; M302-R309 PolarHBondContact O-NH1 3.36Å; N303-R309 VanDerWaalsContact O-CZ 3.3Å; N303-R309 PolarHBondContact O-NH1 2.92Å; N303-R309 PolarHBondContact O-NH2 2.93Å; C305-R309 VanDerWaalsContact N-NH1 3.14Å; C305-R309 PolarHBondContact O-NH1 3.43Å; C305-R309 PolarHBondContact O-NH2 3.18Å; R309-W311 PolarHBondContact O-N 3.41Å; R309-L313 VanDerWaalsContact CD-CD1 3.44Å; R309-L313 HydrophobicContact CG-CD1 4.06Å
310	P	98.3	Very high	98.1	Very high	52 Å²	52	32.8 Å²	32.8	34%	0.338	18%	0.175	S	C	.	.	S	Bend	trans	-80.7	4.5	-178.6	32.1	-33.8	0	0	0	113.4	P278	P278-P310 HydrophobicContact CB-CB 4.12Å; P278-P310 HydrophobicContact CB-CG 4.06Å; P278-P310 HydrophobicContact CG-CG 4.27Å
311	W	98.8	Very high	98.1	Very high	18 Å²	18	32.2 Å²	32.2	7%	0.068	17%	0.172	C	C	.	.	S	Bend	trans	-121	154.4	-177.9	-41.6	-55.7	0	0	0	110.4	L272 R273 V276 P277 I283 R309 L313	L272-W311 HydrophobicContact CB-CZ3 3.95Å; R273-W311 HydrophobicContact CG-CZ3 4.49Å; V276-W311 HydrophobicContact CB-CH2 3.71Å; V276-W311 HydrophobicContact CB-CZ2 3.63Å; V276-W311 HydrophobicContact CB-CZ3 4.21Å; V276-W311 HydrophobicContact CG1-CD2 4.07Å; V276-W311 HydrophobicContact CG1-CH2 4.21Å; V276-W311 HydrophobicContact CG1-CZ2 3.69Å; V276-W311 WeakPolarHBondContact O-CH2 3.23Å; V276-W311 WeakPolarHBondContact O-CZ2 3.36Å; P277-W311 PolarHBondContact O-NE1 3.41Å; I283-W311 HydrophobicContact CD1-CB 4.47Å; I283-W311 HydrophobicContact CD1-CD2 4.42Å; I283-W311 HydrophobicContact CD1-CG 4.39Å; I283-W311 HydrophobicContact CG1-CB 4.09Å; I283-W311 HydrophobicContact CG1-CD2 4.47Å; I283-W311 HydrophobicContact CG1-CE3 4.35Å; I283-W311 HydrophobicContact CG1-CG 4.41Å; R309-W311 PolarHBondContact O-N 3.41Å; W311-L313 PolarHBondContact O-N 3.14Å
312	A	98.8	Very high	98	Very high	34 Å²	34	32 Å²	32	28%	0.281	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.8	163.1	0	0	0	0	0	110.1	V39 P281 G282 I283	V39-A312 HydrophobicContact CB-CB 3.95Å; V39-A312 HydrophobicContact CG2-CB 3.95Å; P281-A312 PolarHBondContact O-N 2.71Å; P281-A312 VanDerWaalsContact O-N 3.12Å; G282-A312 CarbonylContact C-O 3.58Å; G282-A312 WeakPolarHBondContact CA-O 3.44Å; I283-A312 PolarHBondContact N-O 2.9Å
313	L	98.9	Very high	98	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	104	170.3	-64.1	-168	0	0	0	109	V269 L272 I283 F285 M302 N303 R309 W311	V269-L313 HydrophobicContact CG2-CD1 4.02Å; L272-L313 HydrophobicContact CD1-CD2 4.2Å; I283-L313 HydrophobicContact CB-CD2 3.68Å; I283-L313 HydrophobicContact CG1-CD2 3.62Å; I283-L313 HydrophobicContact CG2-CD2 4.45Å; F285-L313 HydrophobicContact CE2-CB 4.18Å; F285-L313 HydrophobicContact CE2-CD2 4.08Å; F285-L313 HydrophobicContact CZ-CD2 4.26Å; M302-L313 HydrophobicContact CB-CD1 4.24Å; N303-L313 PolarHBondContact ND2-O 3.12Å; R309-L313 VanDerWaalsContact CD-CD1 3.44Å; R309-L313 HydrophobicContact CG-CD1 4.06Å; W311-L313 PolarHBondContact O-N 3.14Å
314	T	98.9	Very high	97.9	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	-172.2	-175.7	-164.5	0	0	0	0	111.8	V39 K43 G44 I283 T284 F285 C354	V39-T314 HydrophobicContact CB-CG2 4.34Å; V39-T314 HydrophobicContact CG1-CG2 4.03Å; K43-T314 WeakPolarHBondContact O-CB 3.32Å; K43-T314 PolarHBondContact O-OG1 3.37Å; G44-T314 WeakPolarHBondContact CA-OG1 3.31Å; I283-T314 PolarHBondContact O-N 2.89Å; T284-T314 CarbonylContact C-O 3.57Å; T284-T314 WeakPolarHBondContact CA-O 3.44Å; T284-T314 HydrophobicContact CG2-CG2 3.65Å; F285-T314 WeakPolarHBondContact CD2-O 3.39Å; F285-T314 PolarHBondContact N-O 2.9Å; T314-C354 WeakPolarHBondContact OG1-CB 3.45Å
315	F	98.9	Very high	97.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	148	-173.7	54.6	-82.2	0	0	0	112.6	G44 I45 C88 I89 L299 Y317 L321 N350 C354	G44-F315 CarbonylContact C-O 3.48Å; G44-F315 WeakPolarHBondContact CA-O 3.35Å; I45-F315 PolarHBondContact N-O 3.49Å; C88-F315 WeakPolarHBondContact O-CZ 3.33Å; I89-F315 HydrophobicContact CD1-CE2 4.08Å; I89-F315 HydrophobicContact CD1-CZ 4.48Å; L299-F315 HydrophobicContact CD2-CB 3.92Å; L299-F315 HydrophobicContact CD2-CD1 3.84Å; L299-F315 HydrophobicContact CD2-CG 4.34Å; F315-Y317 HydrophobicContact CB-CD1 3.78Å; F315-Y317 HydrophobicContact CB-CD2 3.71Å; F315-Y317 HydrophobicContact CB-CE1 3.72Å; F315-Y317 HydrophobicContact CB-CE2 3.65Å; F315-Y317 HydrophobicContact CB-CG 3.79Å; F315-Y317 HydrophobicContact CD2-CD2 4.43Å; F315-Y317 HydrophobicContact CG-CD2 4.34Å; F315-Y317 HydrophobicContact CG-CE2 4.48Å; F315-L321 HydrophobicContact CD2-CD1 4.06Å; F315-L321 HydrophobicContact CE2-CD1 3.98Å; F315-N350 HydrophobicContact CD1-CB 3.65Å; F315-N350 HydrophobicContact CD2-CB 4.22Å; F315-N350 VanDerWaalsContact CE1-C 3.42Å; F315-N350 HydrophobicContact CE1-CB 3.57Å; F315-N350 WeakPolarHBondContact CE1-O 3.4Å; F315-N350 HydrophobicContact CE2-CB 4.13Å; F315-N350 HydrophobicContact CG-CB 3.98Å; F315-N350 HydrophobicContact CZ-CB 3.81Å; F315-C354 HydrophobicContact CD1-CB 4.4Å
316	S	98.9	Very high	97.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	79.3	158.4	175.8	0	0	0	0	109	I45 K245 T284 F285	I45-S316 WeakPolarHBondContact O-CA 3.18Å; K245-S316 VanDerWaalsContact CE-O 3.3Å; K245-S316 WeakPolarHBondContact CE-O 3.5Å; K245-S316 VanDerWaalsContact CE-OG 3.24Å; K245-S316 WeakPolarHBondContact CE-OG 3.2Å; T284-S316 WeakPolarHBondContact O-CB 3.47Å; F285-S316 CarbonylContact O-C 3.52Å; F285-S316 PolarHBondContact O-N 3.33Å
317	Y	98.8	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134	-166.1	-70.5	-7.2	0	0	0	112.5	I45 A47 M248 F285 A295 F315 A320 N350	I45-Y317 PolarHBondContact O-N 2.79Å; A47-Y317 PolarHBondContact N-O 2.89Å; M248-Y317 WeakPolarHBondContact CE-OH 3.32Å; F285-Y317 HydrophobicContact CB-CE1 4.34Å; F285-Y317 WeakPolarHBondContact O-CD1 3.4Å; F285-Y317 WeakPolarHBondContact O-CE1 3.19Å; A295-Y317 HydrophobicContact CB-CD2 4.37Å; A295-Y317 HydrophobicContact CB-CE2 3.65Å; A295-Y317 PolarHBondContact O-OH 3.29Å; F315-Y317 HydrophobicContact CB-CD1 3.78Å; F315-Y317 HydrophobicContact CB-CD2 3.71Å; F315-Y317 HydrophobicContact CB-CE1 3.72Å; F315-Y317 HydrophobicContact CB-CE2 3.65Å; F315-Y317 HydrophobicContact CB-CG 3.79Å; F315-Y317 HydrophobicContact CD2-CD2 4.43Å; F315-Y317 HydrophobicContact CG-CD2 4.34Å; F315-Y317 HydrophobicContact CG-CE2 4.48Å; Y317-A320 HydrophobicContact CD2-CB 3.65Å; Y317-A320 HydrophobicContact CE2-CB 4.24Å; Y317-A320 HydrophobicContact CG-CB 3.91Å; Y317-N350 WeakPolarHBondContact CE2-OD1 3.35Å
318	G	97.3	Very high	97.9	Very high	8 Å²	8	27.3 Å²	27.3	8%	0.082	15%	0.145	C	C	.	.	S	Bend	trans	-94.5	-90.8	166.6	0	0	0	0	0	109.1	A47 A320 L321 Q322	A47-G318 WeakPolarHBondContact O-CA 3.2Å; G318-A320 VanDerWaalsContact C-N 3.3Å; G318-A320 PolarHBondContact O-N 2.87Å; G318-L321 PolarHBondContact O-N 3.39Å; G318-L321 VanDerWaalsContact O-N 3.08Å; G318-Q322 WeakPolarHBondContact O-CB 3.04Å; G318-Q322 WeakPolarHBondContact O-CG 3.45Å; G318-Q322 PolarHBondContact O-N 3.43Å
319	R	95.3	Very high	98	Very high	34 Å²	34	21.3 Å²	21.3	13%	0.128	12%	0.117	C	C	.	.	H	α-helix	trans	-52.5	-42	-178.7	-65.5	-177.6	-71.7	-150.6	-14.1	113.5	G288 L321 Q322 A323 L371 V373	G288-R319 PolarHBondContact O-NE 3.37Å; G288-R319 PolarHBondContact O-NH2 3.46Å; R319-L321 PolarHBondContact O-N 3.01Å; R319-L321 VanDerWaalsContact O-N 3.11Å; R319-Q322 PolarHBondContact O-N 3.3Å; R319-A323 WeakPolarHBondContact O-CB 3.37Å; R319-A323 PolarHBondContact O-N 2.65Å; R319-L371 HydrophobicContact CB-CB 4.27Å; R319-L371 HydrophobicContact CB-CD1 3.8Å; R319-L371 PolarHBondContact NE-O 3.49Å; R319-L371 PolarHBondContact NH1-O 3.17Å; R319-V373 VanDerWaalsContact NH1-CG2 3.26Å
320	A	97	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.3	-8.7	-177.4	0	0	0	0	0	115.6	A295 Y317 G318	A295-A320 HydrophobicContact CB-CB 3.72Å; Y317-A320 HydrophobicContact CD2-CB 3.65Å; Y317-A320 HydrophobicContact CE2-CB 4.24Å; Y317-A320 HydrophobicContact CG-CB 3.91Å; G318-A320 VanDerWaalsContact C-N 3.3Å; G318-A320 PolarHBondContact O-N 2.87Å
321	L	98.3	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-107.5	-12.6	169.8	-78	173.8	0	0	0	112.9	L46 F315 G318 R319 F343 R346 A347	L46-L321 HydrophobicContact CB-CD1 4.42Å; L46-L321 HydrophobicContact CD1-CB 4.23Å; L46-L321 HydrophobicContact CD1-CD1 4.08Å; F315-L321 HydrophobicContact CD2-CD1 4.06Å; F315-L321 HydrophobicContact CE2-CD1 3.98Å; G318-L321 PolarHBondContact O-N 3.39Å; G318-L321 VanDerWaalsContact O-N 3.08Å; R319-L321 PolarHBondContact O-N 3.01Å; R319-L321 VanDerWaalsContact O-N 3.11Å; L321-F343 HydrophobicContact CB-CD2 4.48Å; L321-F343 HydrophobicContact CB-CE2 4.37Å; L321-F343 WeakPolarHBondContact O-CD2 3.24Å; L321-R346 HydrophobicContact CD2-CB 3.96Å; L321-A347 HydrophobicContact CD2-CB 4.48Å
322	Q	98.4	Very high	97.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-122.5	-19.2	-162.6	-75	-173	52.7	0	0	113.8	L46 A47 E50 Y74 L78 G318 R319 A325 L326	L46-Q322 HydrophobicContact CD1-CG 4.18Å; A47-Q322 PolarHBondContact O-NE2 2.82Å; E50-Q322 PolarHBondContact OE1-NE2 2.67Å; Y74-Q322 VanDerWaalsContact CE1-OE1 3.31Å; Y74-Q322 WeakPolarHBondContact OH-CB 3.46Å; Y74-Q322 PolarHBondContact OH-OE1 3.21Å; L78-Q322 HydrophobicContact CD1-CG 4.01Å; G318-Q322 WeakPolarHBondContact O-CB 3.04Å; G318-Q322 WeakPolarHBondContact O-CG 3.45Å; G318-Q322 PolarHBondContact O-N 3.43Å; R319-Q322 PolarHBondContact O-N 3.3Å; Q322-A325 PolarHBondContact O-N 2.94Å; Q322-L326 WeakPolarHBondContact O-CB 3.49Å; Q322-L326 PolarHBondContact O-N 3.35Å
323	A	97.1	Very high	97.2	Very high	29 Å²	29	28.5 Å²	28.5	24%	0.24	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-49.1	-170.2	0	0	0	0	0	111.7	E292 R319 K327 L371	E292-A323 HydrophobicContact CG-CB 4.02Å; E292-A323 WeakPolarHBondContact OE1-CB 3.37Å; E292-A323 PolarHBondContact OE1-N 3.35Å; R319-A323 WeakPolarHBondContact O-CB 3.37Å; R319-A323 PolarHBondContact O-N 2.65Å; A323-K327 WeakPolarHBondContact O-CB 3.29Å; A323-K327 PolarHBondContact O-N 3.06Å; A323-L371 HydrophobicContact CB-CD1 3.99Å; A323-L371 HydrophobicContact CB-CD2 3.55Å; A323-L371 HydrophobicContact CB-CG 4.45Å
324	S	97.5	Very high	97	Very high	19 Å²	19	35.1 Å²	35.1	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-37.7	176.4	-69.9	0	0	0	0	112.2	E292 K327 A328	E292-S324 PolarHBondContact OE1-N 3.05Å; E292-S324 VanDerWaalsContact OE2-CB 3.23Å; E292-S324 WeakPolarHBondContact OE2-CB 3.43Å; E292-S324 PolarHBondContact OE2-OG 2.88Å; S324-K327 PolarHBondContact O-N 2.75Å; S324-A328 VanDerWaalsContact O-CB 3.26Å; S324-A328 WeakPolarHBondContact O-CB 3.43Å; S324-A328 PolarHBondContact O-N 2.84Å
325	A	98.1	Very high	96.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-47.1	176.3	0	0	0	0	0	112.1	L78 Q322 A328 W329 C339 E342 F343	L78-A325 HydrophobicContact CD2-CB 4.35Å; Q322-A325 PolarHBondContact O-N 2.94Å; A325-A328 PolarHBondContact O-N 2.94Å; A325-W329 WeakPolarHBondContact O-CB 3.2Å; A325-W329 PolarHBondContact O-N 3.36Å; A325-C339 WeakPolarHBondContact CB-O 3.48Å; A325-C339 PolarHBondContact O-SG 3.28Å; A325-C339 VanDerWaalsContact O-SG 3.38Å; A325-E342 HydrophobicContact CB-CB 4.39Å; A325-F343 HydrophobicContact CB-CB 3.92Å
326	L	97.8	Very high	96.8	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-44.5	177.6	-175.5	71.6	0	0	0	111.5	R58 F59 I62 Y74 Q322 W329 G330	R58-L326 HydrophobicContact CB-CD2 3.72Å; F59-L326 HydrophobicContact CD1-CD1 3.95Å; F59-L326 HydrophobicContact CE1-CD1 3.88Å; I62-L326 HydrophobicContact CD1-CD1 3.67Å; I62-L326 HydrophobicContact CD1-CG 3.93Å; I62-L326 HydrophobicContact CG1-CG 4.5Å; I62-L326 HydrophobicContact CG2-CG 4.25Å; Y74-L326 HydrophobicContact CD2-CD1 3.97Å; Y74-L326 HydrophobicContact CE1-CD1 4.24Å; Y74-L326 HydrophobicContact CE2-CB 4.14Å; Y74-L326 HydrophobicContact CE2-CD1 3.55Å; Y74-L326 HydrophobicContact CE2-CG 4.48Å; Y74-L326 HydrophobicContact CG-CD1 4.48Å; Q322-L326 WeakPolarHBondContact O-CB 3.49Å; Q322-L326 PolarHBondContact O-N 3.35Å; L326-W329 HydrophobicContact CD1-CE3 3.97Å; L326-W329 HydrophobicContact CD1-CZ3 4.31Å; L326-W329 PolarHBondContact O-N 2.9Å; L326-G330 PolarHBondContact O-N 2.98Å
327	K	97.6	Very high	96.8	Very high	128 Å²	128	43.2 Å²	43.2	56%	0.557	22%	0.223	S	C	*	.	H	α-helix	trans	-61.7	-43.4	176.4	-172	175.1	-175.7	172.8	0	111.5	A323 S324 G330 E369	A323-K327 WeakPolarHBondContact O-CB 3.29Å; A323-K327 PolarHBondContact O-N 3.06Å; S324-K327 PolarHBondContact O-N 2.75Å; K327-G330 PolarHBondContact O-N 3.32Å; K327-E369 IonicContact NZ-OE1 3.13Å; K327-E369 PolarHBondContact NZ-OE1 3.32Å; K327-E369 IonicContact NZ-OE2 2.64Å
328	A	97.7	Very high	96.7	Very high	29 Å²	29	45.2 Å²	45.2	24%	0.24	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-36.8	177.3	0	0	0	0	0	112.5	S324 A325 N335 A338 E342	S324-A328 VanDerWaalsContact O-CB 3.26Å; S324-A328 WeakPolarHBondContact O-CB 3.43Å; S324-A328 PolarHBondContact O-N 2.84Å; A325-A328 PolarHBondContact O-N 2.94Å; A328-N335 WeakPolarHBondContact O-CB 3.26Å; A328-A338 HydrophobicContact CB-CB 4.21Å; A328-E342 HydrophobicContact CB-CG 3.88Å
329	W	98.1	Very high	96.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-48.8	174.6	-177.8	40.3	0	0	0	111.9	F59 I62 N70 L73 Y74 L77 A325 L326 G331 K332 N335 C339	F59-W329 HydrophobicContact CD1-CZ3 4.42Å; F59-W329 AromaticContact CE1-CZ3 3.75Å; F59-W329 HydrophobicContact CE1-CZ3 3.75Å; F59-W329 HydrophobicContact CE2-CZ3 4.46Å; F59-W329 HydrophobicContact CZ-CH2 4.11Å; F59-W329 AromaticContact CZ-CZ3 3.78Å; F59-W329 HydrophobicContact CZ-CZ3 3.78Å; I62-W329 HydrophobicContact CD1-CE3 3.99Å; I62-W329 HydrophobicContact CD1-CZ3 4.28Å; N70-W329 HydrophobicContact CB-CH2 4.34Å; L73-W329 HydrophobicContact CB-CZ2 4.48Å; Y74-W329 HydrophobicContact CD2-CD2 4.13Å; Y74-W329 AromaticContact CD2-CE3 3.5Å; Y74-W329 HydrophobicContact CD2-CE3 3.5Å; Y74-W329 AromaticContact CD2-CZ3 3.77Å; Y74-W329 HydrophobicContact CD2-CZ3 3.77Å; Y74-W329 HydrophobicContact CE2-CE3 4.26Å; Y74-W329 HydrophobicContact CG-CE3 4.15Å; Y74-W329 AromaticContact CG-CZ3 3.92Å; Y74-W329 HydrophobicContact CG-CZ3 3.92Å; L77-W329 HydrophobicContact CD1-CD2 4.13Å; L77-W329 HydrophobicContact CD1-CG 3.91Å; A325-W329 WeakPolarHBondContact O-CB 3.2Å; A325-W329 PolarHBondContact O-N 3.36Å; L326-W329 HydrophobicContact CD1-CE3 3.97Å; L326-W329 HydrophobicContact CD1-CZ3 4.31Å; L326-W329 PolarHBondContact O-N 2.9Å; W329-G331 PolarHBondContact O-N 3.17Å; W329-G331 VanDerWaalsContact O-N 3.08Å; W329-K332 PolarHBondContact NE1-O 3.17Å; W329-K332 VanDerWaalsContact NE1-O 3.15Å; W329-K332 PolarHBondContact O-N 3.34Å; W329-K332 VanDerWaalsContact O-N 3.15Å; W329-N335 VanDerWaalsContact O-CB 3.25Å; W329-N335 WeakPolarHBondContact O-CB 3.13Å; W329-N335 PolarHBondContact O-ND2 2.64Å; W329-C339 HydrophobicContact CB-CB 3.76Å; W329-C339 HydrophobicContact CG-CB 4.41Å
330	G	96.6	Very high	97	Very high	23 Å²	23	44.6 Å²	44.6	24%	0.237	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	19.8	180	0	0	0	0	0	114.5	L326 K327 K332	L326-G330 PolarHBondContact O-N 2.98Å; K327-G330 PolarHBondContact O-N 3.32Å; G330-K332 VanDerWaalsContact C-N 3.27Å; G330-K332 PolarHBondContact O-N 3.48Å
331	G	94.6	Very high	97	Very high	23 Å²	23	46.8 Å²	46.8	24%	0.237	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	9.3	-179.1	0	0	0	0	0	114.6	W329	W329-G331 PolarHBondContact O-N 3.17Å; W329-G331 VanDerWaalsContact O-N 3.08Å
332	K	93.1	Very high	97	Very high	117 Å²	117	48.9 Å²	48.9	51%	0.509	26%	0.258	S	S	.	.			trans	-111.4	129.5	-172.8	-63	-174.9	-175.4	-176.4	0	111.4	W329 G330 E334 N335	W329-K332 PolarHBondContact NE1-O 3.17Å; W329-K332 VanDerWaalsContact NE1-O 3.15Å; W329-K332 PolarHBondContact O-N 3.34Å; W329-K332 VanDerWaalsContact O-N 3.15Å; G330-K332 VanDerWaalsContact C-N 3.27Å; G330-K332 PolarHBondContact O-N 3.48Å; K332-E334 VanDerWaalsContact C-N 3.28Å; K332-E334 HydrophobicContact CB-CG 4.3Å; K332-E334 PolarHBondContact O-N 2.82Å; K332-N335 PolarHBondContact O-N 2.71Å; K332-N335 VanDerWaalsContact O-N 3.1Å
333	K	91.3	Very high	97	Very high	164 Å²	164	48.9 Å²	48.9	71%	0.713	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61.5	-37.3	-174.1	-172	174.9	-178.8	174.2	0	112	N335 G336	K333-N335 PolarHBondContact O-N 2.87Å; K333-G336 PolarHBondContact O-N 3.01Å; K333-G336 VanDerWaalsContact O-N 3.14Å
334	E	95.5	Very high	97.1	Very high	146 Å²	146	47.6 Å²	47.6	68%	0.682	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-61.4	-22.3	178.1	62.1	-89.9	-152.3	0	0	113.7	K332 G336	K332-E334 VanDerWaalsContact C-N 3.28Å; K332-E334 HydrophobicContact CB-CG 4.3Å; K332-E334 PolarHBondContact O-N 2.82Å; E334-G336 VanDerWaalsContact C-N 3.32Å; E334-G336 PolarHBondContact O-N 3.44Å
335	N	97.4	Very high	97.1	Very high	56 Å²	56	52.1 Å²	52.1	30%	0.299	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-89.9	8.2	179.3	-68	-18.2	0	0	0	113.5	A328 W329 K332 K333 K337 A338 C339	A328-N335 WeakPolarHBondContact O-CB 3.26Å; W329-N335 VanDerWaalsContact O-CB 3.25Å; W329-N335 WeakPolarHBondContact O-CB 3.13Å; W329-N335 PolarHBondContact O-ND2 2.64Å; K332-N335 PolarHBondContact O-N 2.71Å; K332-N335 VanDerWaalsContact O-N 3.1Å; K333-N335 PolarHBondContact O-N 2.87Å; N335-K337 VanDerWaalsContact C-N 3.25Å; N335-K337 PolarHBondContact O-N 3.45Å; N335-A338 PolarHBondContact O-N 3.29Å; N335-A338 VanDerWaalsContact O-N 3.12Å; N335-C339 PolarHBondContact O-N 3.41Å
336	G	97	Very high	97.1	Very high	9 Å²	9	52.9 Å²	52.9	9%	0.093	27%	0.267	C	S	.	.	H	α-helix	trans	-54.7	-39.2	-176.4	0	0	0	0	0	113.6	L77 K333 E334 C339 Q340	L77-G336 VanDerWaalsContact CD2-CA 3.5Å; K333-G336 PolarHBondContact O-N 3.01Å; K333-G336 VanDerWaalsContact O-N 3.14Å; E334-G336 VanDerWaalsContact C-N 3.32Å; E334-G336 PolarHBondContact O-N 3.44Å; G336-C339 WeakPolarHBondContact O-CB 3.37Å; G336-C339 PolarHBondContact O-N 3.37Å; G336-Q340 WeakPolarHBondContact O-CG 3.33Å; G336-Q340 PolarHBondContact O-N 3.39Å; G336-Q340 VanDerWaalsContact O-N 3.07Å
337	K	97.8	Very high	97.2	Very high	109 Å²	109	52.4 Å²	52.4	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-43.4	177.8	-178	53.1	175.8	154.2	0	112.5	D82 N335 C339 Q340 D341	D82-K337 IonicContact OD2-NZ 3.25Å; N335-K337 VanDerWaalsContact C-N 3.25Å; N335-K337 PolarHBondContact O-N 3.45Å; K337-C339 VanDerWaalsContact C-N 3.32Å; K337-C339 PolarHBondContact O-N 2.79Å; K337-Q340 PolarHBondContact O-N 2.75Å; K337-D341 WeakPolarHBondContact CE-OD1 3.27Å; K337-D341 VanDerWaalsContact CE-OD2 3.25Å; K337-D341 WeakPolarHBondContact CE-OD2 3.41Å; K337-D341 IonicContact NZ-OD1 2.79Å; K337-D341 PolarHBondContact NZ-OD1 3.21Å; K337-D341 IonicContact NZ-OD2 2.75Å; K337-D341 PolarHBondContact O-N 3.36Å
338	A	98.1	Very high	97.2	Very high	42 Å²	42	49.5 Å²	49.5	35%	0.347	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-40.6	177.1	0	0	0	0	0	111.6	A328 N335 D341 E342	A328-A338 HydrophobicContact CB-CB 4.21Å; N335-A338 PolarHBondContact O-N 3.29Å; N335-A338 VanDerWaalsContact O-N 3.12Å; A338-D341 PolarHBondContact O-N 2.95Å; A338-E342 PolarHBondContact O-N 2.9Å; A338-E342 VanDerWaalsContact O-N 3.15Å
339	C	98.4	Very high	97.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56	-51.5	172.1	179.3	0	0	0	0	112	L77 A325 W329 N335 G336 K337 D341 E342 F343	L77-C339 HydrophobicContact CD1-CB 4.31Å; A325-C339 WeakPolarHBondContact CB-O 3.48Å; A325-C339 PolarHBondContact O-SG 3.28Å; A325-C339 VanDerWaalsContact O-SG 3.38Å; W329-C339 HydrophobicContact CB-CB 3.76Å; W329-C339 HydrophobicContact CG-CB 4.41Å; N335-C339 PolarHBondContact O-N 3.41Å; G336-C339 WeakPolarHBondContact O-CB 3.37Å; G336-C339 PolarHBondContact O-N 3.37Å; K337-C339 VanDerWaalsContact C-N 3.32Å; K337-C339 PolarHBondContact O-N 2.79Å; C339-D341 PolarHBondContact O-N 2.76Å; C339-E342 PolarHBondContact O-N 3.03Å; C339-F343 PolarHBondContact O-N 3.18Å
340	Q	98.6	Very high	97.3	Very high	29 Å²	29	48.3 Å²	48.3	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-41.4	-179.8	-73.3	-178	-22.9	0	0	112.5	L77 T80 A81 G336 K337 E342 F343 I344	L77-Q340 VanDerWaalsContact O-CG 3.25Å; L77-Q340 WeakPolarHBondContact O-CG 3.45Å; L77-Q340 PolarHBondContact O-NE2 3.04Å; T80-Q340 VanDerWaalsContact C-NE2 3.31Å; T80-Q340 PolarHBondContact O-NE2 3.19Å; T80-Q340 PolarHBondContact OG1-NE2 3.13Å; T80-Q340 VanDerWaalsContact OG1-NE2 3.1Å; A81-Q340 HydrophobicContact CB-CB 4.09Å; A81-Q340 HydrophobicContact CB-CG 3.95Å; G336-Q340 WeakPolarHBondContact O-CG 3.33Å; G336-Q340 PolarHBondContact O-N 3.39Å; G336-Q340 VanDerWaalsContact O-N 3.07Å; K337-Q340 PolarHBondContact O-N 2.75Å; Q340-E342 PolarHBondContact O-N 3.3Å; Q340-F343 PolarHBondContact O-N 2.72Å; Q340-I344 WeakPolarHBondContact O-CB 3.39Å; Q340-I344 WeakPolarHBondContact O-CD1 3.4Å; Q340-I344 WeakPolarHBondContact O-CG1 3.44Å; Q340-I344 PolarHBondContact O-N 3.49Å
341	D	98.4	Very high	97.4	Very high	46 Å²	46	47.8 Å²	47.8	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-40.5	-179.8	-74.3	-30.2	0	0	0	112	R84 K337 A338 C339 I344 K345	R84-D341 IonicContact NH2-OD1 3.75Å; R84-D341 PolarHBondContact NH2-OD1 3.09Å; K337-D341 WeakPolarHBondContact CE-OD1 3.27Å; K337-D341 VanDerWaalsContact CE-OD2 3.25Å; K337-D341 WeakPolarHBondContact CE-OD2 3.41Å; K337-D341 IonicContact NZ-OD1 2.79Å; K337-D341 PolarHBondContact NZ-OD1 3.21Å; K337-D341 IonicContact NZ-OD2 2.75Å; K337-D341 PolarHBondContact O-N 3.36Å; A338-D341 PolarHBondContact O-N 2.95Å; C339-D341 PolarHBondContact O-N 2.76Å; D341-I344 PolarHBondContact O-N 3Å; D341-K345 VanDerWaalsContact O-CG 3.29Å; D341-K345 WeakPolarHBondContact O-CG 3.37Å; D341-K345 PolarHBondContact O-N 3.48Å
342	E	98.3	Very high	97.6	Very high	43 Å²	43	50.3 Å²	50.3	20%	0.201	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-41.5	174	-68.6	-50.6	136.6	0	0	112.4	A325 A328 A338 C339 Q340 I344 K345 R346	A325-E342 HydrophobicContact CB-CB 4.39Å; A328-E342 HydrophobicContact CB-CG 3.88Å; A338-E342 PolarHBondContact O-N 2.9Å; A338-E342 VanDerWaalsContact O-N 3.15Å; C339-E342 PolarHBondContact O-N 3.03Å; Q340-E342 PolarHBondContact O-N 3.3Å; E342-I344 PolarHBondContact O-N 2.66Å; E342-K345 PolarHBondContact O-N 2.95Å; E342-K345 IonicContact OE1-NZ 3.37Å; E342-K345 PolarHBondContact OE1-NZ 3.47Å; E342-K345 IonicContact OE2-NZ 2.68Å; E342-R346 PolarHBondContact O-N 3.22Å
343	F	98.7	Very high	97.9	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-46.1	174.2	169.1	-122.4	0	0	0	111.8	L46 L78 A81 I85 L321 A325 C339 Q340 K345 R346 A347	L46-F343 HydrophobicContact CD1-CE2 4.13Å; L46-F343 HydrophobicContact CD2-CE2 4.25Å; L46-F343 HydrophobicContact CD2-CZ 4Å; L78-F343 HydrophobicContact CD2-CB 4.07Å; L78-F343 HydrophobicContact CD2-CD1 4.3Å; L78-F343 HydrophobicContact CD2-CD2 4.09Å; L78-F343 HydrophobicContact CD2-CG 3.89Å; L78-F343 WeakPolarHBondContact O-CE1 3.31Å; A81-F343 HydrophobicContact CB-CD1 3.68Å; A81-F343 HydrophobicContact CB-CE1 3.99Å; I85-F343 HydrophobicContact CB-CE1 4.43Å; I85-F343 HydrophobicContact CD1-CE1 3.79Å; I85-F343 HydrophobicContact CD1-CZ 4.39Å; I85-F343 HydrophobicContact CG2-CD1 4.26Å; I85-F343 HydrophobicContact CG2-CE1 3.81Å; I85-F343 HydrophobicContact CG2-CZ 4.46Å; L321-F343 HydrophobicContact CB-CD2 4.48Å; L321-F343 HydrophobicContact CB-CE2 4.37Å; L321-F343 WeakPolarHBondContact O-CD2 3.24Å; A325-F343 HydrophobicContact CB-CB 3.92Å; C339-F343 PolarHBondContact O-N 3.18Å; Q340-F343 PolarHBondContact O-N 2.72Å; F343-K345 PolarHBondContact O-N 2.95Å; F343-R346 PolarHBondContact O-N 3.23Å; F343-A347 WeakPolarHBondContact O-CB 3.32Å; F343-A347 PolarHBondContact O-N 3.43Å
344	I	98.7	Very high	98.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-43.1	179.5	-69.4	161.2	0	0	0	111.1	A81 D82 R84 I85 Q340 D341 E342 R346 A347 L348	A81-I344 HydrophobicContact CB-CD1 4.11Å; A81-I344 HydrophobicContact CB-CG1 4.04Å; D82-I344 VanDerWaalsContact OD2-CD1 3.25Å; D82-I344 WeakPolarHBondContact OD2-CD1 3.27Å; R84-I344 HydrophobicContact CB-CG2 3.85Å; I85-I344 HydrophobicContact CG2-CB 4.43Å; I85-I344 HydrophobicContact CG2-CG1 3.61Å; Q340-I344 WeakPolarHBondContact O-CB 3.39Å; Q340-I344 WeakPolarHBondContact O-CD1 3.4Å; Q340-I344 WeakPolarHBondContact O-CG1 3.44Å; Q340-I344 PolarHBondContact O-N 3.49Å; D341-I344 PolarHBondContact O-N 3Å; E342-I344 PolarHBondContact O-N 2.66Å; I344-R346 VanDerWaalsContact C-N 3.32Å; I344-R346 PolarHBondContact O-N 2.6Å; I344-A347 PolarHBondContact O-N 2.96Å; I344-L348 HydrophobicContact CG2-CD1 3.71Å; I344-L348 HydrophobicContact CG2-CG 4.23Å; I344-L348 WeakPolarHBondContact O-CB 3.37Å; I344-L348 WeakPolarHBondContact O-CG 3.41Å; I344-L348 PolarHBondContact O-N 3.11Å
345	K	98	Very high	98.3	Very high	114 Å²	114	34.3 Å²	34.3	50%	0.496	18%	0.177	S	C	.	.	H	α-helix	trans	-55.6	-47.8	175.8	-73.1	169.7	-169.8	173.9	0	111.1	D341 E342 F343 L348 A349	D341-K345 VanDerWaalsContact O-CG 3.29Å; D341-K345 WeakPolarHBondContact O-CG 3.37Å; D341-K345 PolarHBondContact O-N 3.48Å; E342-K345 PolarHBondContact O-N 2.95Å; E342-K345 IonicContact OE1-NZ 3.37Å; E342-K345 PolarHBondContact OE1-NZ 3.47Å; E342-K345 IonicContact OE2-NZ 2.68Å; F343-K345 PolarHBondContact O-N 2.95Å; K345-L348 PolarHBondContact O-N 3.47Å; K345-A349 WeakPolarHBondContact O-CB 3.48Å; K345-A349 PolarHBondContact O-N 2.98Å
346	R	98.2	Very high	98.4	Very high	16 Å²	16	32.2 Å²	32.2	6%	0.06	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-35.8	179.1	-61.4	-48.4	-52.3	162	4.5	112.6	E292 E293 S296 L321 E342 F343 I344 N350	E292-R346 PolarHBondContact O-NH2 3.05Å; E293-R346 IonicContact OE2-CZ 2.89Å; E293-R346 IonicContact OE2-NH1 3.74Å; E293-R346 PolarHBondContact OE2-NH1 3.3Å; E293-R346 IonicContact OE2-NH2 3.77Å; S296-R346 PolarHBondContact OG-NH2 3.09Å; L321-R346 HydrophobicContact CD2-CB 3.96Å; E342-R346 PolarHBondContact O-N 3.22Å; F343-R346 PolarHBondContact O-N 3.23Å; I344-R346 VanDerWaalsContact C-N 3.32Å; I344-R346 PolarHBondContact O-N 2.6Å; R346-N350 WeakPolarHBondContact O-CB 3.39Å; R346-N350 PolarHBondContact O-N 2.82Å; R346-N350 PolarHBondContact O-ND2 3.02Å
347	A	98.6	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-46	174.7	0	0	0	0	0	111.6	I85 C88 L321 F343 I344 N350 S351	I85-A347 HydrophobicContact CG2-CB 4.32Å; C88-A347 HydrophobicContact CB-CB 4.02Å; L321-A347 HydrophobicContact CD2-CB 4.48Å; F343-A347 WeakPolarHBondContact O-CB 3.32Å; F343-A347 PolarHBondContact O-N 3.43Å; I344-A347 PolarHBondContact O-N 2.96Å; A347-N350 PolarHBondContact O-N 3.08Å; A347-S351 WeakPolarHBondContact O-CB 3.25Å; A347-S351 PolarHBondContact O-N 2.64Å
348	L	98.6	Very high	98.4	Very high	66 Å²	66	34.2 Å²	34.2	35%	0.346	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-44.2	176.8	-70.7	168.1	0	0	0	112	I344 K345 N350 S351 L352	I344-L348 HydrophobicContact CG2-CD1 3.71Å; I344-L348 HydrophobicContact CG2-CG 4.23Å; I344-L348 WeakPolarHBondContact O-CB 3.37Å; I344-L348 WeakPolarHBondContact O-CG 3.41Å; I344-L348 PolarHBondContact O-N 3.11Å; K345-L348 PolarHBondContact O-N 3.47Å; L348-N350 VanDerWaalsContact C-N 3.34Å; L348-N350 PolarHBondContact O-N 2.8Å; L348-S351 PolarHBondContact O-N 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 2.79Å
349	A	98.3	Very high	98.1	Very high	9 Å²	9	38.2 Å²	38.2	7%	0.074	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-47.9	176.6	0	0	0	0	0	111.5	K345 L352 A353 Y358	K345-A349 WeakPolarHBondContact O-CB 3.48Å; K345-A349 PolarHBondContact O-N 2.98Å; A349-L352 PolarHBondContact O-N 2.78Å; A349-A353 WeakPolarHBondContact O-CB 3.28Å; A349-A353 PolarHBondContact O-N 2.79Å; A349-Y358 HydrophobicContact CB-CD2 4.01Å; A349-Y358 HydrophobicContact CB-CE2 3.51Å
350	N	98.7	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-73	-30.3	-179.5	-71.2	-57.8	0	0	0	113.3	S296 F315 Y317 R346 A347 L348 L352 A353 C354	S296-N350 VanDerWaalsContact OG-CG 3.3Å; S296-N350 PolarHBondContact OG-OD1 2.95Å; F315-N350 HydrophobicContact CD1-CB 3.65Å; F315-N350 HydrophobicContact CD2-CB 4.22Å; F315-N350 VanDerWaalsContact CE1-C 3.42Å; F315-N350 HydrophobicContact CE1-CB 3.57Å; F315-N350 WeakPolarHBondContact CE1-O 3.4Å; F315-N350 HydrophobicContact CE2-CB 4.13Å; F315-N350 HydrophobicContact CG-CB 3.98Å; F315-N350 HydrophobicContact CZ-CB 3.81Å; Y317-N350 WeakPolarHBondContact CE2-OD1 3.35Å; R346-N350 WeakPolarHBondContact O-CB 3.39Å; R346-N350 PolarHBondContact O-N 2.82Å; R346-N350 PolarHBondContact O-ND2 3.02Å; A347-N350 PolarHBondContact O-N 3.08Å; L348-N350 VanDerWaalsContact C-N 3.34Å; L348-N350 PolarHBondContact O-N 2.8Å; N350-L352 VanDerWaalsContact C-N 3.33Å; N350-A353 PolarHBondContact O-N 3.06Å; N350-C354 PolarHBondContact O-N 3.05Å
351	S	98.8	Very high	95.9	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-38.4	170.7	-178.9	0	0	0	0	112.4	G42 A347 L348 C354 Q355	G42-S351 WeakPolarHBondContact O-CA 3.24Å; G42-S351 VanDerWaalsContact O-CB 3.22Å; G42-S351 WeakPolarHBondContact O-CB 3.33Å; G42-S351 PolarHBondContact O-OG 3.45Å; A347-S351 WeakPolarHBondContact O-CB 3.25Å; A347-S351 PolarHBondContact O-N 2.64Å; L348-S351 PolarHBondContact O-N 3.29Å; S351-C354 PolarHBondContact O-SG 3.29Å; S351-Q355 WeakPolarHBondContact O-CG 3.25Å; S351-Q355 PolarHBondContact O-NE2 2.82Å
352	L	98.8	Very high	93.8	Very high	75 Å²	75	43.4 Å²	43.4	39%	0.393	24%	0.244	S	C	.	.	H	α-helix	trans	-71.8	-38.9	172	-68.9	170.7	0	0	0	111.5	L348 A349 N350 Q355 G356 K357 Y358	L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 2.79Å; A349-L352 PolarHBondContact O-N 2.78Å; N350-L352 VanDerWaalsContact C-N 3.33Å; L352-Q355 CarbonylContact O-C 3.58Å; L352-Q355 PolarHBondContact O-N 2.93Å; L352-Q355 VanDerWaalsContact O-N 3.09Å; L352-G356 PolarHBondContact O-N 3.18Å; L352-K357 HydrophobicContact CD2-CB 4.23Å; L352-K357 PolarHBondContact O-N 2.93Å; L352-Y358 HydrophobicContact CB-CD2 4.36Å; L352-Y358 PolarHBondContact O-N 2.85Å
353	A	98.8	Very high	91.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-40.9	-178.3	0	0	0	0	0	112.2	S296 L299 N300 N303 A349 N350 Q355 G356 Y358	S296-A353 WeakPolarHBondContact O-CB 3.43Å; L299-A353 HydrophobicContact CB-CB 4.15Å; L299-A353 HydrophobicContact CD2-CB 4.09Å; L299-A353 HydrophobicContact CG-CB 4.12Å; N300-A353 WeakPolarHBondContact CA-O 3.49Å; N300-A353 HydrophobicContact CB-CB 3.97Å; N303-A353 PolarHBondContact ND2-O 3.49Å; A349-A353 WeakPolarHBondContact O-CB 3.28Å; A349-A353 PolarHBondContact O-N 2.79Å; N350-A353 PolarHBondContact O-N 3.06Å; A353-Q355 PolarHBondContact O-N 3.33Å; A353-Q355 VanDerWaalsContact O-N 3.11Å; A353-G356 PolarHBondContact O-N 3.44Å; A353-Y358 HydrophobicContact CB-CG 4.43Å
354	C	98.6	Very high	88.6	Confident	15 Å²	15	52.4 Å²	52.4	10%	0.101	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8	175.7	74	0	0	0	0	113.6	G42 L299 N303 T314 F315 N350 S351	G42-C354 VanDerWaalsContact C-SG 3.51Å; G42-C354 WeakPolarHBondContact CA-SG 3.35Å; L299-C354 HydrophobicContact CD2-CB 4.12Å; N303-C354 VanDerWaalsContact CG-O 3.32Å; N303-C354 WeakPolarHBondContact ND2-CA 3.19Å; N303-C354 PolarHBondContact OD1-O 3.25Å; T314-C354 WeakPolarHBondContact OG1-CB 3.45Å; F315-C354 HydrophobicContact CD1-CB 4.4Å; N350-C354 PolarHBondContact O-N 3.05Å; S351-C354 PolarHBondContact O-SG 3.29Å
355	Q	98.6	Very high	86.3	Confident	76 Å²	76	53.2 Å²	53.2	36%	0.355	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-0.8	172.4	-63.5	175.9	66.7	0	0	113.1	S351 L352 A353 K357	S351-Q355 WeakPolarHBondContact O-CG 3.25Å; S351-Q355 PolarHBondContact O-NE2 2.82Å; L352-Q355 CarbonylContact O-C 3.58Å; L352-Q355 PolarHBondContact O-N 2.93Å; L352-Q355 VanDerWaalsContact O-N 3.09Å; A353-Q355 PolarHBondContact O-N 3.33Å; A353-Q355 VanDerWaalsContact O-N 3.11Å; Q355-K357 VanDerWaalsContact C-N 3.27Å; Q355-K357 HydrophobicContact CB-CB 4.48Å; Q355-K357 HydrophobicContact CB-CD 4.04Å; Q355-K357 HydrophobicContact CB-CG 4.14Å; Q355-K357 PolarHBondContact O-N 3.4Å; Q355-K357 VanDerWaalsContact OE1-NZ 3.1Å
356	G	98.1	Very high	84.3	Confident	13 Å²	13	51.4 Å²	51.4	13%	0.134	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	23.8	-174.2	0	0	0	0	0	113.8	N300 Q304 L352 A353	N300-G356 WeakPolarHBondContact OD1-CA 3.2Å; Q304-G356 PolarHBondContact NE2-O 3.48Å; L352-G356 PolarHBondContact O-N 3.18Å; A353-G356 PolarHBondContact O-N 3.44Å
357	K	98.2	Very high	82.5	Confident	128 Å²	128	51.4 Å²	51.4	56%	0.557	34%	0.338	S	S	*	.			trans	-115	4.7	-175.8	-64	174.9	-173.2	165.5	0	113.4	N300 L352 Q355	N300-K357 PolarHBondContact OD1-N 2.75Å; N300-K357 VanDerWaalsContact OD1-N 3.1Å; L352-K357 HydrophobicContact CD2-CB 4.23Å; L352-K357 PolarHBondContact O-N 2.93Å; Q355-K357 VanDerWaalsContact C-N 3.27Å; Q355-K357 HydrophobicContact CB-CB 4.48Å; Q355-K357 HydrophobicContact CB-CD 4.04Å; Q355-K357 HydrophobicContact CB-CG 4.14Å; Q355-K357 PolarHBondContact O-N 3.4Å; Q355-K357 VanDerWaalsContact OE1-NZ 3.1Å
358	Y	97.7	Very high	80.9	Confident	31 Å²	31	54 Å²	54	12%	0.122	36%	0.364	C	S	.	.			trans	-74.4	130	178.1	-177.9	-113.1	0	0	0	110.3	E293 V297 N300 A349 L352 A353	E293-Y358 WeakPolarHBondContact OE1-CE1 3.16Å; E293-Y358 PolarHBondContact OE1-OH 2.7Å; E293-Y358 PolarHBondContact OE2-OH 3.14Å; V297-Y358 HydrophobicContact CG2-CD1 4.45Å; V297-Y358 HydrophobicContact CG2-CE1 4.04Å; N300-Y358 PolarHBondContact ND2-O 3.18Å; N300-Y358 WeakPolarHBondContact OD1-CB 3.15Å; N300-Y358 PolarHBondContact OD1-N 2.92Å; N300-Y358 PolarHBondContact OD1-O 3.43Å; A349-Y358 HydrophobicContact CB-CD2 4.01Å; A349-Y358 HydrophobicContact CB-CE2 3.51Å; L352-Y358 HydrophobicContact CB-CD2 4.36Å; L352-Y358 PolarHBondContact O-N 2.85Å; A353-Y358 HydrophobicContact CB-CG 4.43Å
359	V	92.2	Very high	79.4	Confident	127 Å²	127	57.1 Å²	57.1	77%	0.77	38%	0.377	S	S	*	.			trans	-115	114.2	173.9	-178.7	0	0	0	0	106.9
360	S	82.6	Confident	78.1	Confident	49 Å²	49	60.1 Å²	60.1	34%	0.343	40%	0.397	S	S	.	.			trans	-68	139.7	175.6	-177.1	0	0	0	0	109.9	E293 G362	E293-S360 VanDerWaalsContact OE1-CB 3.31Å; E293-S360 WeakPolarHBondContact OE1-CB 3.39Å; E293-S360 PolarHBondContact OE1-OG 3.09Å; S360-G362 PolarHBondContact O-N 3.13Å; S360-G362 PolarHBondContact OG-N 3.25Å
361	S	66.3	Low	77.4	Confident	95 Å²	95	61.5 Å²	61.5	66%	0.664	40%	0.404	S	S	*	.			trans	-76.5	9.6	174.4	56.2	0	0	0	0	113.7
362	G	55.1	Low	76.6	Confident	40 Å²	40	63.2 Å²	63.2	41%	0.412	41%	0.41	S	S	.	.			trans	89.9	-176.7	179.5	0	0	0	0	0	114.2	S360 S364 A365	S360-G362 PolarHBondContact O-N 3.13Å; S360-G362 PolarHBondContact OG-N 3.25Å; G362-S364 PolarHBondContact O-N 3.32Å; G362-A365 PolarHBondContact O-N 2.68Å
363	A	43.2	Very low	75.4	Confident	121 Å²	121	62.7 Å²	62.7	100%	1	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-1.2	-168	0	0	0	0	0	116.6
364	S	45.7	Very low	74	Confident	111 Å²	111	65.7 Å²	65.7	78%	0.776	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	11.9	174.9	63.3	0	0	0	0	113.6	G362 A366	G362-S364 PolarHBondContact O-N 3.32Å; S364-A366 PolarHBondContact O-N 2.55Å
365	A	48.6	Very low	72.8	Confident	19 Å²	19	69.4 Å²	69.4	16%	0.157	45%	0.454	C	S	.	.			trans	-63.7	129.3	178	0	0	0	0	0	111	E293 G362 G367	E293-A365 HydrophobicContact CG-CB 4.17Å; G362-A365 PolarHBondContact O-N 2.68Å; A365-G367 PolarHBondContact O-N 3.05Å
366	A	55.8	Low	71.4	Confident	76 Å²	76	66.9 Å²	66.9	63%	0.628	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	137.1	167	0	0	0	0	0	109.6	S364	S364-A366 PolarHBondContact O-N 2.55Å
367	G	61.1	Low	69.7	Low	17 Å²	17	68.1 Å²	68.1	18%	0.175	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	14.7	-179.1	0	0	0	0	0	116	S291 E292 E293 A365	S291-G367 WeakPolarHBondContact CB-O 3.48Å; E292-G367 PolarHBondContact N-O 2.9Å; E293-G367 PolarHBondContact N-O 3.05Å; E293-G367 VanDerWaalsContact N-O 3.15Å; A365-G367 PolarHBondContact O-N 3.05Å
368	G	64.6	Low	67.6	Low	53 Å²	53	65.4 Å²	65.4	55%	0.546	44%	0.438	S	S	.	.			trans	-78.6	-7.5	176.2	0	0	0	0	0	116	S291	S291-G368 WeakPolarHBondContact CB-O 3.29Å
369	E	68.3	Low	66.1	Low	133 Å²	133	67.2 Å²	67.2	62%	0.621	45%	0.454	S	S	*	.	S	Bend	trans	-67.4	132	178.7	-69.2	174.2	-167.5	0	0	111.1	S291 K327 L371	S291-E369 VanDerWaalsContact CA-O 3.31Å; S291-E369 WeakPolarHBondContact CA-O 3.24Å; S291-E369 WeakPolarHBondContact CB-O 3.4Å; K327-E369 IonicContact NZ-OE1 3.13Å; K327-E369 PolarHBondContact NZ-OE1 3.32Å; K327-E369 IonicContact NZ-OE2 2.64Å; E369-L371 PolarHBondContact O-N 2.65Å
370	S	71.4	Confident	64.7	Low	72 Å²	72	64 Å²	64	50%	0.503	44%	0.437	S	S	.	.			trans	-58.2	133.6	174.4	173	0	0	0	0	110.7	F372	S370-F372 WeakPolarHBondContact OG-CB 3.32Å; S370-F372 PolarHBondContact OG-N 2.9Å
371	L	83.6	Confident	63.7	Low	29 Å²	29	64.8 Å²	64.8	15%	0.152	44%	0.442	C	S	.	.			trans	-101.3	10.8	178.4	-56.9	172.5	0	0	0	111.9	G289 Q290 E292 R319 A323 E369	G289-L371 CarbonylContact O-C 3.2Å; G289-L371 PolarHBondContact O-N 3.34Å; G289-L371 VanDerWaalsContact O-N 3.12Å; Q290-L371 WeakPolarHBondContact O-CB 3.41Å; Q290-L371 WeakPolarHBondContact O-CD1 3.21Å; Q290-L371 WeakPolarHBondContact O-CG 3.14Å; E292-L371 HydrophobicContact CG-CD1 3.91Å; R319-L371 HydrophobicContact CB-CB 4.27Å; R319-L371 HydrophobicContact CB-CD1 3.8Å; R319-L371 PolarHBondContact NE-O 3.49Å; R319-L371 PolarHBondContact NH1-O 3.17Å; A323-L371 HydrophobicContact CB-CD1 3.99Å; A323-L371 HydrophobicContact CB-CD2 3.55Å; A323-L371 HydrophobicContact CB-CG 4.45Å; E369-L371 PolarHBondContact O-N 2.65Å
372	F	81.8	Confident	63.6	Low	47 Å²	47	63.1 Å²	63.1	21%	0.206	43%	0.429	C	S	.	.			trans	-61.8	139.4	-177.1	177.6	-105.5	0	0	0	112.8	P208 D209 H253 G289 S370 A374	P208-F372 HydrophobicContact CG-CD2 4.09Å; P208-F372 HydrophobicContact CG-CE2 4.03Å; D209-F372 WeakPolarHBondContact OD1-CZ 3.47Å; H253-F372 HydrophobicContact CB-CD2 4.31Å; H253-F372 HydrophobicContact CB-CE1 4.37Å; H253-F372 HydrophobicContact CB-CE2 4.16Å; H253-F372 HydrophobicContact CB-CG 4.49Å; H253-F372 HydrophobicContact CB-CZ 4.17Å; H253-F372 AromaticContact CD2-CD1 3.37Å; H253-F372 WeakPolarHBondContact CD2-CD1 3.1Å; H253-F372 AromaticContact CD2-CE1 3.53Å; H253-F372 AromaticContact CD2-CG 3.91Å; H253-F372 AromaticContact CE1-CD1 3.84Å; H253-F372 AromaticContact CE1-CG 3.82Å; H253-F372 AromaticContact CG-CD1 3.72Å; H253-F372 AromaticContact CG-CE1 3.93Å; H253-F372 AromaticContact CG-CG 3.79Å; H253-F372 AromaticContact ND1-CD1 3.99Å; H253-F372 AromaticContact ND1-CG 3.73Å; H253-F372 AromaticContact NE2-CD1 3.45Å; H253-F372 WeakPolarHBondContact NE2-CD1 3.36Å; H253-F372 AromaticContact NE2-CG 3.93Å; G289-F372 PolarHBondContact O-N 3.46Å; S370-F372 WeakPolarHBondContact OG-CB 3.32Å; S370-F372 PolarHBondContact OG-N 2.9Å; F372-A374 HydrophobicContact CE1-CB 3.93Å; F372-A374 HydrophobicContact CZ-CB 4.09Å
373	V	73	Confident	64.1	Low	65 Å²	65	64.5 Å²	64.5	39%	0.394	43%	0.43	S	S	.	.			trans	-133.1	118.9	171.3	173	0	0	0	0	106.4	R319 N375 H376	R319-V373 VanDerWaalsContact NH1-CG2 3.26Å; V373-N375 PolarHBondContact O-N 3.43Å; V373-H376 HydrophobicContact CB-CB 4.22Å; V373-H376 HydrophobicContact CG1-CB 4.3Å; V373-H376 WeakPolarHBondContact O-CB 3.05Å; V373-H376 PolarHBondContact O-N 2.85Å
374	A	69.9	Low	65.5	Low	62 Å²	62	60.7 Å²	60.7	51%	0.512	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	136.1	-178.2	0	0	0	0	0	111.5	D209 F372 H376	D209-A374 WeakPolarHBondContact OD1-CA 3.44Å; F372-A374 HydrophobicContact CE1-CB 3.93Å; F372-A374 HydrophobicContact CZ-CB 4.09Å; A374-H376 VanDerWaalsContact C-N 3.27Å; A374-H376 PolarHBondContact O-N 3.14Å
375	N	73.3	Confident	66.9	Low	94 Å²	94	57.1 Å²	57.1	50%	0.503	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	43.9	-179	-53.7	-67.6	0	0	0	113	K168 D209 V373 A377	K168-N375 PolarHBondContact NZ-OD1 2.78Å; D209-N375 PolarHBondContact OD1-N 3.12Å; V373-N375 PolarHBondContact O-N 3.43Å; N375-A377 PolarHBondContact O-N 3.46Å
376	H	68.8	Low	68.3	Low	22 Å²	22	60.1 Å²	60.1	10%	0.102	38%	0.381	C	S	.	.			trans	-63.5	109.7	-175.5	-169.2	59.6	0	0	0	112.8	R164 V373 A374 Y378	R164-H376 PolarHBondContact NH1-O 3.08Å; R164-H376 PolarHBondContact NH2-O 3.38Å; V373-H376 HydrophobicContact CB-CB 4.22Å; V373-H376 HydrophobicContact CG1-CB 4.3Å; V373-H376 WeakPolarHBondContact O-CB 3.05Å; V373-H376 PolarHBondContact O-N 2.85Å; A374-H376 VanDerWaalsContact C-N 3.27Å; A374-H376 PolarHBondContact O-N 3.14Å; H376-Y378 AromaticContact NE2-CE1 3.61Å; H376-Y378 AromaticContact NE2-CZ 3.71Å
377	A	63.6	Low	69.4	Low	40 Å²	40	58.8 Å²	58.8	33%	0.331	36%	0.36	S	S	.	.			trans	-118.8	140.5	167.3	0	0	0	0	0	109.8	V128 N375	V128-A377 HydrophobicContact CG2-CB 3.81Å; N375-A377 PolarHBondContact O-N 3.46Å
378	Y	53.2	Low	70.1	Confident	71 Å²	71	62.5 Å²	62.5	28%	0.278	38%	0.377	S	S	.	.			trans	-81.5	0	-173.1	-76.5	-78.9	0	0	0	114.7	S51 S54 R164 H376	S51-Y378 PolarHBondContact OG-OXT 3.16Å; S54-Y378 VanDerWaalsContact OG-CA 3.26Å; S54-Y378 WeakPolarHBondContact OG-CA 3.38Å; S54-Y378 WeakPolarHBondContact OG-CD1 3.44Å; S54-Y378 PolarHBondContact OG-OXT 3.24Å; R164-Y378 VanDerWaalsContact CD-CE2 3.41Å; H376-Y378 AromaticContact NE2-CE1 3.61Å; H376-Y378 AromaticContact NE2-CZ 3.71Å

Retrieved 378 of 378 residues in 651.6 ms (Link to these results)

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