A0A096MLI8_PAPAN Loading...

Fucosyltransferase

AlphaFold DB (Q9Y231), UniProt , Accession A0A096MLI8, Species PAPAN (Papio anubis, Olive baboon), Gene FUT9, Length 359 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	57.9	Low	242 Å²	242	132.6 Å²	132.6	100%	1.192	73%	0.732	S	S	*	*				0	127.1	0	-71.2	172.2	165	0	0	106
2	T	41.8	Very low	60	Low	123 Å²	123	133.7 Å²	133.7	76%	0.755	72%	0.724	S	S	*	*				-150.7	127.4	51.1	39.1	0	0	0	0	112	T4	T2-T4 PolarHBondContact O-N 3.34Å
3	S	47.9	Very low	62	Low	116 Å²	116	132.1 Å²	132.1	81%	0.811	71%	0.714	S	S	*	*			trans	-78.7	99.1	162.2	168	0	0	0	0	108.5
4	T	52.6	Low	63.9	Low	123 Å²	123	128.6 Å²	128.6	76%	0.755	69%	0.694	S	S	*	*			trans	-150	68.1	169.3	41.9	0	0	0	0	110.5	T2	T2-T4 PolarHBondContact O-N 3.34Å
5	S	55.7	Low	65.6	Low	82 Å²	82	125.4 Å²	125.4	57%	0.573	68%	0.68	S	S	*	*			trans	-138.4	5.3	165.9	-164.4	0	0	0	0	114.3	G7	S5-G7 PolarHBondContact O-N 3.42Å
6	K	54.7	Low	67.2	Low	198 Å²	198	122.1 Å²	122.1	86%	0.861	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-6.2	173.1	-71.9	-170.9	177.2	-177.7	0	113.9
7	G	59.7	Low	68.6	Low	61 Å²	61	120.8 Å²	120.8	63%	0.629	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-29.4	-179	0	0	0	0	0	115.2	S5 P11	S5-G7 PolarHBondContact O-N 3.42Å; G7-P11 WeakPolarHBondContact O-CD 3.3Å
8	I	66.7	Low	69.9	Low	116 Å²	116	119.9 Å²	119.9	60%	0.595	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-28.4	-169.8	-60.7	172.7	0	0	0	112.4	R10 P11 F12	I8-R10 VanDerWaalsContact C-N 3.34Å; I8-R10 PolarHBondContact O-N 3.38Å; I8-P11 VanDerWaalsContact O-CD 3.25Å; I8-P11 WeakPolarHBondContact O-CD 3.25Å; I8-P11 VanDerWaalsContact O-CG 3.3Å; I8-P11 WeakPolarHBondContact O-CG 3.32Å; I8-F12 PolarHBondContact O-N 3.34Å
9	L	67.1	Low	71.1	Confident	132 Å²	132	119.2 Å²	119.2	69%	0.691	65%	0.647	S	S	*	*	H	α-helix	trans	-65.6	-35.2	-177.7	-115.2	93.9	0	0	0	113.4	F12 L13	L9-F12 PolarHBondContact O-N 3.44Å; L9-L13 PolarHBondContact O-N 3.45Å
10	R	75.3	Confident	72.1	Confident	196 Å²	196	115.3 Å²	115.3	74%	0.74	64%	0.636	S	S	*	*	H	α-helix	trans	-67	-48.6	-175.7	-165.4	176.4	-179.4	-171.4	-0.2	113.4	I8 F12 L13 I14	I8-R10 VanDerWaalsContact C-N 3.34Å; I8-R10 PolarHBondContact O-N 3.38Å; R10-F12 VanDerWaalsContact C-N 3.3Å; R10-F12 PolarHBondContact O-N 3.04Å; R10-L13 PolarHBondContact O-N 3.44Å; R10-I14 HydrophobicContact CG-CD1 4.27Å; R10-I14 VanDerWaalsContact O-CG1 3.32Å; R10-I14 WeakPolarHBondContact O-CG1 3.17Å; R10-I14 PolarHBondContact O-N 2.96Å
11	P	80.4	Confident	73	Confident	70 Å²	70	113.3 Å²	113.3	46%	0.455	63%	0.63	S	S	.	*	H	α-helix	trans	-64.2	-35.2	174.9	22.2	-31.3	0	0	0	112.1	G7 I8 I14 V15	G7-P11 WeakPolarHBondContact O-CD 3.3Å; I8-P11 VanDerWaalsContact O-CD 3.25Å; I8-P11 WeakPolarHBondContact O-CD 3.25Å; I8-P11 VanDerWaalsContact O-CG 3.3Å; I8-P11 WeakPolarHBondContact O-CG 3.32Å; P11-I14 PolarHBondContact O-N 2.89Å; P11-V15 VanDerWaalsContact O-CG2 3.3Å; P11-V15 WeakPolarHBondContact O-CG2 3.46Å; P11-V15 PolarHBondContact O-N 3.5Å
12	F	83.3	Confident	75.7	Confident	145 Å²	145	108 Å²	108	64%	0.636	60%	0.6	S	S	*	*	H	α-helix	trans	-61.9	-46.3	177.4	-127.1	-83.5	0	0	0	112.3	I8 L9 R10 I14 V15 C16	I8-F12 PolarHBondContact O-N 3.34Å; L9-F12 PolarHBondContact O-N 3.44Å; R10-F12 VanDerWaalsContact C-N 3.3Å; R10-F12 PolarHBondContact O-N 3.04Å; F12-I14 VanDerWaalsContact C-N 3.32Å; F12-I14 PolarHBondContact O-N 3.26Å; F12-V15 PolarHBondContact O-N 3Å; F12-C16 PolarHBondContact O-N 3.47Å; F12-C16 PolarHBondContact O-SG 3.36Å; F12-C16 VanDerWaalsContact O-SG 3.36Å
13	L	85.5	Confident	77.8	Confident	113 Å²	113	107.2 Å²	107.2	59%	0.592	59%	0.589	S	S	*	*	H	α-helix	trans	-62.4	-40.9	178.3	-158.3	91.1	0	0	0	111.7	L9 R10 C16 I17	L9-L13 PolarHBondContact O-N 3.45Å; R10-L13 PolarHBondContact O-N 3.44Å; L13-C16 PolarHBondContact O-N 3.27Å; L13-I17 HydrophobicContact CD2-CD1 4.27Å; L13-I17 HydrophobicContact CG-CD1 4.34Å; L13-I17 VanDerWaalsContact O-CG1 3.31Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.32Å
14	I	88.4	Confident	79.5	Confident	84 Å²	84	104 Å²	104	43%	0.431	57%	0.57	S	S	.	*	H	α-helix	trans	-63.2	-43.4	177.5	-67.3	167.4	0	0	0	110.5	R10 P11 F12 C16 I17 I18	R10-I14 HydrophobicContact CG-CD1 4.27Å; R10-I14 VanDerWaalsContact O-CG1 3.32Å; R10-I14 WeakPolarHBondContact O-CG1 3.17Å; R10-I14 PolarHBondContact O-N 2.96Å; P11-I14 PolarHBondContact O-N 2.89Å; F12-I14 VanDerWaalsContact C-N 3.32Å; F12-I14 PolarHBondContact O-N 3.26Å; I14-C16 PolarHBondContact O-N 2.98Å; I14-I17 PolarHBondContact O-N 3.46Å; I14-I18 HydrophobicContact CG2-CD1 3.72Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 VanDerWaalsContact O-CG1 3.27Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.03Å
15	V	90	Very high	81	Confident	80 Å²	80	101.7 Å²	101.7	49%	0.485	56%	0.558	S	S	.	*	H	α-helix	trans	-62.8	-42.7	177.1	171.3	0	0	0	0	111.5	P11 F12 I17 I18 L19	P11-V15 VanDerWaalsContact O-CG2 3.3Å; P11-V15 WeakPolarHBondContact O-CG2 3.46Å; P11-V15 PolarHBondContact O-N 3.5Å; F12-V15 PolarHBondContact O-N 3Å; V15-I17 PolarHBondContact O-N 3.36Å; V15-I18 PolarHBondContact O-N 2.96Å; V15-L19 HydrophobicContact CG1-CD1 3.79Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.22Å
16	C	90.5	Very high	82.4	Confident	72 Å²	72	101 Å²	101	49%	0.486	55%	0.547	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.3	-69	0	0	0	0	112.6	F12 L13 I14 L19 G20	F12-C16 PolarHBondContact O-N 3.47Å; F12-C16 PolarHBondContact O-SG 3.36Å; F12-C16 VanDerWaalsContact O-SG 3.36Å; L13-C16 PolarHBondContact O-N 3.27Å; I14-C16 PolarHBondContact O-N 2.98Å; C16-L19 PolarHBondContact O-N 3.02Å; C16-G20 PolarHBondContact O-N 3.38Å
17	I	91.4	Very high	83.5	Confident	100 Å²	100	97.7 Å²	97.7	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-45	177.4	-67.5	166.1	0	0	0	110.4	L13 I14 V15 L19 G20 C21	L13-I17 HydrophobicContact CD2-CD1 4.27Å; L13-I17 HydrophobicContact CG-CD1 4.34Å; L13-I17 VanDerWaalsContact O-CG1 3.31Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.32Å; I14-I17 PolarHBondContact O-N 3.46Å; V15-I17 PolarHBondContact O-N 3.36Å; I17-L19 PolarHBondContact O-N 3.43Å; I17-G20 PolarHBondContact O-N 3.33Å; I17-C21 WeakPolarHBondContact O-CB 3.47Å; I17-C21 PolarHBondContact O-N 3.21Å; I17-C21 PolarHBondContact O-SG 3.36Å; I17-C21 VanDerWaalsContact O-SG 3.34Å
18	I	92.8	Very high	84.4	Confident	106 Å²	106	101.2 Å²	101.2	54%	0.544	54%	0.541	S	S	.	.	H	α-helix	trans	-61	-44.9	177.9	-68.3	168.3	0	0	0	110.8	I14 V15 C21 F22	I14-I18 HydrophobicContact CG2-CD1 3.72Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 VanDerWaalsContact O-CG1 3.27Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.03Å; V15-I18 PolarHBondContact O-N 2.96Å; I18-C21 PolarHBondContact O-N 3.01Å; I18-F22 WeakPolarHBondContact O-CB 3.44Å; I18-F22 PolarHBondContact O-N 3.04Å
19	L	92.8	Very high	85	Confident	105 Å²	105	105.7 Å²	105.7	55%	0.55	55%	0.552	S	S	.	*	H	α-helix	trans	-62.8	-42.4	176.3	-80.7	161.9	0	0	0	112.1	V15 C16 I17 F22 M23	V15-L19 HydrophobicContact CG1-CD1 3.79Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 3.22Å; C16-L19 PolarHBondContact O-N 3.02Å; I17-L19 PolarHBondContact O-N 3.43Å; L19-F22 PolarHBondContact O-N 3.5Å; L19-M23 WeakPolarHBondContact O-CG 3.3Å; L19-M23 PolarHBondContact O-N 3.15Å
20	G	90.1	Very high	85.1	Confident	42 Å²	42	104 Å²	104	43%	0.433	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-46	176.8	0	0	0	0	0	112.4	C16 I17 M23 A24	C16-G20 PolarHBondContact O-N 3.38Å; I17-G20 PolarHBondContact O-N 3.33Å; G20-M23 PolarHBondContact O-N 2.91Å; G20-A24 PolarHBondContact O-N 3.06Å
21	C	91.1	Very high	84.1	Confident	74 Å²	74	103.3 Å²	103.3	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-62.9	-41.3	174.8	-69.6	0	0	0	0	111.8	I17 I18 A24 C25	I17-C21 WeakPolarHBondContact O-CB 3.47Å; I17-C21 PolarHBondContact O-N 3.21Å; I17-C21 PolarHBondContact O-SG 3.36Å; I17-C21 VanDerWaalsContact O-SG 3.34Å; I18-C21 PolarHBondContact O-N 3.01Å; C21-A24 PolarHBondContact O-N 3.12Å; C21-C25 WeakPolarHBondContact O-CB 3.38Å; C21-C25 PolarHBondContact O-N 3.07Å; C21-C25 PolarHBondContact O-SG 2.93Å; C21-C25 VanDerWaalsContact O-SG 3.38Å
22	F	91.4	Very high	82.8	Confident	131 Å²	131	104.5 Å²	104.5	58%	0.575	55%	0.553	S	S	*	*	H	α-helix	trans	-63	-43.9	177.2	-168.9	-98.3	0	0	0	111.7	I18 L19 C25 L26	I18-F22 WeakPolarHBondContact O-CB 3.44Å; I18-F22 PolarHBondContact O-N 3.04Å; L19-F22 PolarHBondContact O-N 3.5Å; F22-C25 PolarHBondContact O-N 3.38Å; F22-L26 HydrophobicContact CD1-CD1 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.66Å; F22-L26 HydrophobicContact CZ-CD1 4.11Å; F22-L26 WeakPolarHBondContact O-CB 3.31Å; F22-L26 PolarHBondContact O-N 3.2Å
23	M	87	Confident	81.3	Confident	105 Å²	105	103.1 Å²	103.1	52%	0.517	56%	0.557	S	S	.	*	H	α-helix	trans	-63.3	-41.6	175.6	-76.4	-62.4	-66.4	0	0	112.6	L19 G20 L26 L27	L19-M23 WeakPolarHBondContact O-CG 3.3Å; L19-M23 PolarHBondContact O-N 3.15Å; G20-M23 PolarHBondContact O-N 2.91Å; M23-L26 WeakPolarHBondContact O-CB 3.45Å; M23-L26 PolarHBondContact O-N 3.36Å; M23-L27 WeakPolarHBondContact O-CG 3.2Å; M23-L27 PolarHBondContact O-N 2.9Å
24	A	83.5	Confident	79.6	Confident	49 Å²	49	101.6 Å²	101.6	41%	0.405	55%	0.549	S	S	.	.	H	α-helix	trans	-63.1	-44.3	175.4	0	0	0	0	0	111.5	G20 C21 L26 L27 I28	G20-A24 PolarHBondContact O-N 3.06Å; C21-A24 PolarHBondContact O-N 3.12Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 PolarHBondContact O-N 3Å; A24-L27 PolarHBondContact O-N 3.25Å; A24-I28 WeakPolarHBondContact O-CD1 3.4Å; A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.49Å; A24-I28 PolarHBondContact O-N 3.42Å
25	C	84.6	Confident	77.6	Confident	74 Å²	74	101.1 Å²	101.1	50%	0.5	55%	0.553	S	S	.	*	H	α-helix	trans	-61.4	-40	173.3	-72.4	0	0	0	0	112	C21 F22 I28 Y29	C21-C25 WeakPolarHBondContact O-CB 3.38Å; C21-C25 PolarHBondContact O-N 3.07Å; C21-C25 PolarHBondContact O-SG 2.93Å; C21-C25 VanDerWaalsContact O-SG 3.38Å; F22-C25 PolarHBondContact O-N 3.38Å; C25-I28 PolarHBondContact O-N 3.34Å; C25-Y29 WeakPolarHBondContact O-CB 3.41Å; C25-Y29 PolarHBondContact O-N 3.31Å
26	L	83.7	Confident	75.7	Confident	68 Å²	68	108.9 Å²	108.9	36%	0.356	57%	0.574	S	S	.	*	H	α-helix	trans	-62.4	-42.6	177.1	-146.8	103.5	0	0	0	111.2	F22 M23 A24 I28 Y29 I30	F22-L26 HydrophobicContact CD1-CD1 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.66Å; F22-L26 HydrophobicContact CZ-CD1 4.11Å; F22-L26 WeakPolarHBondContact O-CB 3.31Å; F22-L26 PolarHBondContact O-N 3.2Å; M23-L26 WeakPolarHBondContact O-CB 3.45Å; M23-L26 PolarHBondContact O-N 3.36Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 PolarHBondContact O-N 3Å; L26-I28 VanDerWaalsContact C-N 3.32Å; L26-I28 PolarHBondContact O-N 2.84Å; L26-Y29 PolarHBondContact O-N 3.44Å; L26-I30 HydrophobicContact CD2-CD1 3.41Å; L26-I30 VanDerWaalsContact CD2-CD1 3.41Å; L26-I30 HydrophobicContact CG-CD1 3.7Å; L26-I30 HydrophobicContact CG-CG1 4.31Å; L26-I30 VanDerWaalsContact O-CB 3.23Å; L26-I30 WeakPolarHBondContact O-CB 3.48Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 2.75Å
27	L	77.2	Confident	73.6	Confident	129 Å²	129	111.1 Å²	111.1	68%	0.675	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-29.1	177	-70.3	171.2	0	0	0	113.1	M23 A24	M23-L27 WeakPolarHBondContact O-CG 3.2Å; M23-L27 PolarHBondContact O-N 2.9Å; A24-L27 PolarHBondContact O-N 3.25Å
28	I	79.6	Confident	71	Confident	135 Å²	135	114 Å²	114	69%	0.692	59%	0.589	S	S	*	*	H	α-helix	trans	-77.3	-39.7	175	-65	163.6	0	0	0	111	A24 C25 L26	A24-I28 WeakPolarHBondContact O-CD1 3.4Å; A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.49Å; A24-I28 PolarHBondContact O-N 3.42Å; C25-I28 PolarHBondContact O-N 3.34Å; L26-I28 VanDerWaalsContact C-N 3.32Å; L26-I28 PolarHBondContact O-N 2.84Å
29	Y	78.6	Confident	68.4	Low	210 Å²	210	113.2 Å²	113.2	82%	0.824	59%	0.593	S	S	*	*	H	α-helix	trans	-83.1	-34.6	-177	-107.3	-86.8	0	0	0	113.8	C25 L26 K31	C25-Y29 WeakPolarHBondContact O-CB 3.41Å; C25-Y29 PolarHBondContact O-N 3.31Å; L26-Y29 PolarHBondContact O-N 3.44Å; Y29-K31 PolarHBondContact O-N 2.94Å
30	I	70.8	Confident	66	Low	96 Å²	96	114 Å²	114	49%	0.492	60%	0.604	S	S	.	*	S	Bend	trans	-72.9	90.3	167.1	-60.2	173.1	0	0	0	105.6	L26 P32	L26-I30 HydrophobicContact CD2-CD1 3.41Å; L26-I30 VanDerWaalsContact CD2-CD1 3.41Å; L26-I30 HydrophobicContact CG-CD1 3.7Å; L26-I30 HydrophobicContact CG-CG1 4.31Å; L26-I30 VanDerWaalsContact O-CB 3.23Å; L26-I30 WeakPolarHBondContact O-CB 3.48Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 2.75Å; I30-P32 VanDerWaalsContact O-CD 3.26Å; I30-P32 WeakPolarHBondContact O-CD 3.49Å
31	K	53.3	Low	63.7	Low	181 Å²	181	121 Å²	121	79%	0.787	63%	0.628	S	S	*	*			trans	-49.7	117.7	158.1	-82.4	-172.2	175.7	-178.9	0	105.8	Y29 T33	Y29-K31 PolarHBondContact O-N 2.94Å; K31-T33 PolarHBondContact O-N 3.49Å
32	P	54.2	Low	61.5	Low	95 Å²	95	124.8 Å²	124.8	62%	0.617	64%	0.638	S	S	*	*			trans	-58.4	111	176.1	21.6	-29	0	0	0	105.9	I30 N34	I30-P32 VanDerWaalsContact O-CD 3.26Å; I30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-N34 PolarHBondContact O-N 2.89Å
33	T	51.2	Low	59.4	Low	117 Å²	117	122.3 Å²	122.3	72%	0.718	64%	0.637	S	S	*	*			trans	-64.1	99.4	166.5	44.8	0	0	0	0	104.2	K31 S35	K31-T33 PolarHBondContact O-N 3.49Å; T33-S35 PolarHBondContact O-N 3.35Å; T33-S35 PolarHBondContact O-OG 2.92Å
34	N	49.6	Very low	57.7	Low	80 Å²	80	120.7 Å²	120.7	43%	0.428	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-66.7	33.6	178.9	-76	-24.2	0	0	0	112.1	P32 W36 I37 F38	P32-N34 PolarHBondContact O-N 2.89Å; N34-W36 PolarHBondContact O-N 3.45Å; N34-I37 HydrophobicContact CB-CB 4.25Å; N34-I37 HydrophobicContact CB-CD1 4.18Å; N34-I37 HydrophobicContact CB-CG1 4.32Å; N34-I37 PolarHBondContact O-N 3.39Å; N34-F38 HydrophobicContact CB-CD2 4.5Å; N34-F38 PolarHBondContact O-N 2.93Å
35	S	47.3	Very low	56.1	Low	74 Å²	74	121.8 Å²	121.8	52%	0.517	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-63.2	-22.5	173	53.3	0	0	0	0	112	T33 F38	T33-S35 PolarHBondContact O-N 3.35Å; T33-S35 PolarHBondContact O-OG 2.92Å; S35-F38 CarbonylContact O-C 3.55Å
36	W	48.4	Very low	54.6	Low	243 Å²	243	120 Å²	120	92%	0.92	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-76.7	-20.3	170.6	-86.5	65.3	0	0	0	113.9	N34	N34-W36 PolarHBondContact O-N 3.45Å
37	I	46.9	Very low	53.2	Low	119 Å²	119	121.1 Å²	121.1	61%	0.61	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-28.3	173.9	-55.9	-179.2	0	0	0	110.2	N34	N34-I37 HydrophobicContact CB-CB 4.25Å; N34-I37 HydrophobicContact CB-CD1 4.18Å; N34-I37 HydrophobicContact CB-CG1 4.32Å; N34-I37 PolarHBondContact O-N 3.39Å
38	F	37.6	Very low	52	Low	162 Å²	162	120.1 Å²	120.1	71%	0.711	64%	0.638	S	S	*	*			trans	-116	67.7	178.5	-66.5	-81	0	0	0	111.1	N34 S35	N34-F38 HydrophobicContact CB-CD2 4.5Å; N34-F38 PolarHBondContact O-N 2.93Å; S35-F38 CarbonylContact O-C 3.55Å
39	S	36.9	Very low	50.6	Low	89 Å²	89	121.3 Å²	121.3	62%	0.622	64%	0.638	S	S	*	*			trans	-58	140.6	156	-42	0	0	0	0	108.5	M41	S39-M41 PolarHBondContact O-N 3.46Å
40	P	42.2	Very low	49.2	Very low	120 Å²	120	117.1 Å²	117.1	78%	0.779	63%	0.627	S	S	*	*			trans	-56.7	130.1	-180	-18.8	29.6	0	0	0	109.8	E42	P40-E42 PolarHBondContact O-N 2.91Å
41	M	43.2	Very low	48	Very low	191 Å²	191	119.5 Å²	119.5	94%	0.941	63%	0.634	S	S	*	*			trans	-51.8	103.7	179	-158.7	164.3	84.7	0	0	108.9	S39 S43	S39-M41 PolarHBondContact O-N 3.46Å; M41-S43 PolarHBondContact O-N 2.89Å
42	E	44.9	Very low	47.6	Very low	152 Å²	152	116 Å²	116	71%	0.71	62%	0.624	S	S	*	*			trans	-56.5	124.3	-179.1	-87.4	-174.9	153.3	0	0	108.7	P40 S46	P40-E42 PolarHBondContact O-N 2.91Å; E42-S46 PolarHBondContact O-OG 3.25Å
43	S	46	Very low	47.4	Very low	79 Å²	79	120.6 Å²	120.6	55%	0.552	64%	0.635	S	S	*	*			trans	-39	150.9	-179.9	65	0	0	0	0	113.7	M41 S45 S46	M41-S43 PolarHBondContact O-N 2.89Å; S43-S45 PolarHBondContact O-N 3.26Å; S43-S45 PolarHBondContact O-OG 2.95Å; S43-S45 PolarHBondContact OG-OG 2.98Å; S43-S45 VanDerWaalsContact OG-OG 3.11Å; S43-S46 PolarHBondContact O-N 2.98Å; S43-S46 PolarHBondContact O-OG 3.34Å
44	A	51.5	Low	47.4	Very low	71 Å²	71	123.2 Å²	123.2	59%	0.587	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.8	-14.7	-179.7	0	0	0	0	0	117.3	S46 V47 L48	A44-S46 VanDerWaalsContact C-N 3.34Å; A44-V47 PolarHBondContact O-N 3.24Å; A44-L48 PolarHBondContact O-N 3.34Å
45	S	50.7	Low	47.2	Very low	72 Å²	72	123.3 Å²	123.3	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-61.5	-33.9	170.1	69	0	0	0	0	113.9	S43 K49	S43-S45 PolarHBondContact O-N 3.26Å; S43-S45 PolarHBondContact O-OG 2.95Å; S43-S45 PolarHBondContact OG-OG 2.98Å; S43-S45 VanDerWaalsContact OG-OG 3.11Å; S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.13Å
46	S	53	Low	46.9	Very low	37 Å²	37	125.6 Å²	125.6	26%	0.259	65%	0.654	S	S	.	*	H	α-helix	trans	-70.5	-41.2	175.9	55.4	0	0	0	0	111.2	E42 S43 A44 L48 K49 M50	E42-S46 PolarHBondContact O-OG 3.25Å; S43-S46 PolarHBondContact O-N 2.98Å; S43-S46 PolarHBondContact O-OG 3.34Å; A44-S46 VanDerWaalsContact C-N 3.34Å; S46-L48 PolarHBondContact O-N 3.33Å; S46-K49 PolarHBondContact O-N 3.16Å; S46-M50 VanDerWaalsContact O-CB 3.29Å; S46-M50 WeakPolarHBondContact O-CB 3.43Å; S46-M50 PolarHBondContact O-N 3.46Å
47	V	53.6	Low	46.6	Very low	92 Å²	92	121.4 Å²	121.4	56%	0.558	64%	0.642	S	S	*	*	H	α-helix	trans	-64.1	-39.2	174.3	-179	0	0	0	0	111.3	A44 M50 K51	A44-V47 PolarHBondContact O-N 3.24Å; V47-M50 PolarHBondContact O-N 3.45Å; V47-K51 WeakPolarHBondContact O-CB 3.34Å; V47-K51 PolarHBondContact O-N 3.11Å
48	L	51.8	Low	46.5	Very low	108 Å²	108	121.7 Å²	121.7	57%	0.565	65%	0.65	S	S	*	*	H	α-helix	trans	-68.9	-40.2	174.9	-106.5	138.4	0	0	0	112.6	A44 S46 M50 K51 N52	A44-L48 PolarHBondContact O-N 3.34Å; S46-L48 PolarHBondContact O-N 3.33Å; L48-M50 VanDerWaalsContact C-N 3.32Å; L48-K51 PolarHBondContact O-N 3.24Å; L48-N52 WeakPolarHBondContact O-CB 3.08Å; L48-N52 PolarHBondContact O-N 3.15Å
49	K	50.1	Low	47.1	Very low	160 Å²	160	119.8 Å²	119.8	70%	0.696	65%	0.647	S	S	*	*	H	α-helix	trans	-63.4	-39	171.9	-88.6	-177.7	175.7	177.6	0	112.1	S45 S46 N52 F53	S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.13Å; S46-K49 PolarHBondContact O-N 3.16Å; K49-N52 PolarHBondContact O-N 3.42Å; K49-F53 PolarHBondContact O-N 2.92Å
50	M	49.9	Very low	47.5	Very low	121 Å²	121	126.3 Å²	126.3	60%	0.596	66%	0.66	S	S	*	*	H	α-helix	trans	-68.3	-43.5	177.2	-170.4	169.6	-77.8	0	0	111	S46 V47 L48 N52 F53 F54	S46-M50 VanDerWaalsContact O-CB 3.29Å; S46-M50 WeakPolarHBondContact O-CB 3.43Å; S46-M50 PolarHBondContact O-N 3.46Å; V47-M50 PolarHBondContact O-N 3.45Å; L48-M50 VanDerWaalsContact C-N 3.32Å; M50-N52 VanDerWaalsContact C-N 3.35Å; M50-N52 PolarHBondContact O-N 3.12Å; M50-F53 WeakPolarHBondContact O-CB 3.32Å; M50-F53 PolarHBondContact O-N 2.72Å; M50-F53 VanDerWaalsContact O-N 3.12Å; M50-F54 HydrophobicContact CG-CD2 3.73Å; M50-F54 HydrophobicContact CG-CE2 3.36Å; M50-F54 WeakPolarHBondContact O-CD2 2.88Å; M50-F54 PolarHBondContact O-N 3.17Å; M50-F54 HydrophobicContact SD-CE2 4.13Å
51	K	45.7	Very low	47.9	Very low	147 Å²	147	126.5 Å²	126.5	64%	0.639	65%	0.649	S	S	*	*	H	α-helix	trans	-59.6	-41.3	171.1	-98.9	-175.2	173	-178	0	112.7	V47 L48 F53 F54 S55	V47-K51 WeakPolarHBondContact O-CB 3.34Å; V47-K51 PolarHBondContact O-N 3.11Å; L48-K51 PolarHBondContact O-N 3.24Å; K51-F53 VanDerWaalsContact C-N 3.29Å; K51-F53 PolarHBondContact O-N 3.46Å; K51-F54 CarbonylContact O-C 3.57Å; K51-F54 PolarHBondContact O-N 3.11Å; K51-F54 VanDerWaalsContact O-N 3.11Å; K51-S55 WeakPolarHBondContact O-CB 3.36Å; K51-S55 PolarHBondContact O-N 2.93Å
52	N	45.9	Very low	49.5	Very low	108 Å²	108	122 Å²	122	58%	0.578	63%	0.629	S	S	*	*	H	α-helix	trans	-69.4	-26.2	176	-77.7	-3.5	0	0	0	112.8	L48 K49 M50	L48-N52 WeakPolarHBondContact O-CB 3.08Å; L48-N52 PolarHBondContact O-N 3.15Å; K49-N52 PolarHBondContact O-N 3.42Å; M50-N52 VanDerWaalsContact C-N 3.35Å; M50-N52 PolarHBondContact O-N 3.12Å
53	F	49.2	Very low	51.7	Low	191 Å²	191	119.5 Å²	119.5	84%	0.838	62%	0.617	S	S	*	*	H	α-helix	trans	-71.8	-30.2	169	-119.6	-89.9	0	0	0	112.5	K49 M50 K51	K49-F53 PolarHBondContact O-N 2.92Å; M50-F53 WeakPolarHBondContact O-CB 3.32Å; M50-F53 PolarHBondContact O-N 2.72Å; M50-F53 VanDerWaalsContact O-N 3.12Å; K51-F53 VanDerWaalsContact C-N 3.29Å; K51-F53 PolarHBondContact O-N 3.46Å
54	F	51.6	Low	54.2	Low	171 Å²	171	116.2 Å²	116.2	75%	0.75	59%	0.593	S	S	*	*	H	α-helix	trans	-91.7	-10.1	178.5	-70.6	-61.8	0	0	0	114.6	M50 K51	M50-F54 HydrophobicContact CG-CD2 3.73Å; M50-F54 HydrophobicContact CG-CE2 3.36Å; M50-F54 WeakPolarHBondContact O-CD2 2.88Å; M50-F54 PolarHBondContact O-N 3.17Å; M50-F54 HydrophobicContact SD-CE2 4.13Å; K51-F54 CarbonylContact O-C 3.57Å; K51-F54 PolarHBondContact O-N 3.11Å; K51-F54 VanDerWaalsContact O-N 3.11Å
55	S	44.5	Very low	56.4	Low	83 Å²	83	113.7 Å²	113.7	58%	0.58	57%	0.57	S	S	*	*	S	Bend	trans	-129.6	54	-167.2	-172.3	0	0	0	0	114	K51	K51-S55 WeakPolarHBondContact O-CB 3.36Å; K51-S55 PolarHBondContact O-N 2.93Å
56	T	42.2	Very low	58.6	Low	121 Å²	121	110.2 Å²	110.2	74%	0.742	55%	0.546	S	S	*	.	S	Bend	trans	-156.3	43.4	156	57	0	0	0	0	113.5
57	K	41.4	Very low	60.8	Low	155 Å²	155	108.5 Å²	108.5	67%	0.674	53%	0.534	S	S	*	.			trans	-127.4	55.5	167.6	-89.1	-179.6	166.3	-171.9	0	111.1	F61	K57-F61 HydrophobicContact CB-CD2 4.06Å; K57-F61 HydrophobicContact CB-CE2 4.36Å; K57-F61 HydrophobicContact CD-CD2 3.99Å; K57-F61 HydrophobicContact CD-CE2 3.45Å; K57-F61 VanDerWaalsContact CD-CE2 3.45Å; K57-F61 HydrophobicContact CD-CZ 4.09Å; K57-F61 HydrophobicContact CG-CD2 4.28Å; K57-F61 HydrophobicContact CG-CE2 4.07Å
58	T	44.8	Very low	62.9	Low	126 Å²	126	104.3 Å²	104.3	77%	0.773	51%	0.509	S	S	*	.			trans	-80.9	125.6	169.6	30.3	0	0	0	0	110
59	D	50.2	Low	65.1	Low	121 Å²	121	100.1 Å²	100.1	65%	0.647	49%	0.485	S	S	*	.	S	Bend	trans	99	-5.3	156.8	-64	-18.7	0	0	0	123.2	N62	D59-N62 PolarHBondContact OD1-ND2 3.39Å; D59-N62 VanDerWaalsContact OD1-ND2 3.1Å
60	Y	44.5	Very low	67.1	Low	227 Å²	227	93.7 Å²	93.7	89%	0.89	46%	0.46	S	S	*	.	S	Bend	trans	-108.3	-6.6	163.3	-122.7	-87.8	0	0	0	114
61	F	51.9	Low	69.3	Low	124 Å²	124	90.8 Å²	90.8	54%	0.544	44%	0.442	S	S	.	.	S	Bend	trans	-95.9	7.6	178.8	-80.9	-85.2	0	0	0	113.9	K57	K57-F61 HydrophobicContact CB-CD2 4.06Å; K57-F61 HydrophobicContact CB-CE2 4.36Å; K57-F61 HydrophobicContact CD-CD2 3.99Å; K57-F61 HydrophobicContact CD-CE2 3.45Å; K57-F61 VanDerWaalsContact CD-CE2 3.45Å; K57-F61 HydrophobicContact CD-CZ 4.09Å; K57-F61 HydrophobicContact CG-CD2 4.28Å; K57-F61 HydrophobicContact CG-CE2 4.07Å
62	N	76.6	Confident	71.7	Confident	97 Å²	97	83.8 Å²	83.8	52%	0.519	41%	0.412	S	S	.	.	S	Bend	trans	-82.2	-15.4	-172.2	-73.4	-12.8	0	0	0	114.2	D59 G90	D59-N62 PolarHBondContact OD1-ND2 3.39Å; D59-N62 VanDerWaalsContact OD1-ND2 3.1Å; N62-G90 VanDerWaalsContact O-CA 3.29Å; N62-G90 WeakPolarHBondContact O-CA 3.47Å
63	E	91.5	Very high	74.1	Confident	99 Å²	99	83 Å²	83	46%	0.463	40%	0.404	S	S	.	.			trans	-123.6	126.1	-173.2	-164.5	173.8	-133.4	0	0	112.5	G90 H92 H104	E63-G90 CarbonylContact C-O 3.54Å; E63-G90 WeakPolarHBondContact CA-O 3.45Å; E63-H92 VanDerWaalsContact CD-CB 3.47Å; E63-H92 HydrophobicContact CG-CB 3.67Å; E63-H92 WeakPolarHBondContact OE1-CB 3.47Å; E63-H92 IonicContact OE1-CG 3.95Å; E63-H92 IonicContact OE1-ND1 3.93Å; E63-H92 IonicContact OE2-ND1 3.48Å; E63-H92 PolarHBondContact OE2-ND1 2.65Å; E63-H104 PolarHBondContact O-CE1 2.73Å
64	T	96.7	Very high	76.2	Confident	9 Å²	9	76.7 Å²	76.7	6%	0.055	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.4	173.8	-62	0	0	0	0	109.1	I66 G90 H92 H104 V341 K342	T64-I66 HydrophobicContact CG2-CD1 4.08Å; T64-G90 PolarHBondContact N-O 2.86Å; T64-H92 PolarHBondContact O-N 2.92Å; T64-H104 HydrophobicContact CG2-CB 4.07Å; T64-V341 HydrophobicContact CG2-CB 4.11Å; T64-V341 HydrophobicContact CG2-CG1 3.75Å; T64-K342 HydrophobicContact CG2-CB 4.48Å; T64-K342 WeakPolarHBondContact OG1-CB 3.39Å
65	T	98	Very high	78.4	Confident	18 Å²	18	73.5 Å²	73.5	11%	0.11	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.2	178.5	-48.6	0	0	0	0	111.9	H92 T94 H104 A105	T65-H92 CarbonylContact C-O 3.59Å; T65-H92 VanDerWaalsContact CA-O 3.27Å; T65-H92 WeakPolarHBondContact CA-O 3.23Å; T65-H92 HydrophobicContact CG2-CB 4.39Å; T65-T94 HydrophobicContact CG2-CG2 3.88Å; T65-H104 PolarHBondContact N-ND1 3.02Å; T65-H104 WeakPolarHBondContact O-CB 3.37Å; T65-H104 PolarHBondContact O-N 2.91Å; T65-A105 PolarHBondContact O-N 3.19Å
66	I	98.4	Very high	80.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.3	173	-52.5	-61.7	0	0	0	108.8	T64 H92 L93 T94 A105 L107 C338 V341	T64-I66 HydrophobicContact CG2-CD1 4.08Å; I66-H92 PolarHBondContact N-O 3.11Å; I66-L93 HydrophobicContact CB-CD2 3.74Å; I66-L93 HydrophobicContact CG1-CD2 4.05Å; I66-L93 HydrophobicContact CG2-CD2 4.4Å; I66-L93 WeakPolarHBondContact O-CA 3.27Å; I66-T94 PolarHBondContact O-N 3.26Å; I66-A105 HydrophobicContact CD1-CB 3.58Å; I66-L107 HydrophobicContact CG2-CB 4.08Å; I66-C338 HydrophobicContact CD1-CB 4.28Å; I66-C338 HydrophobicContact CG1-CB 3.57Å; I66-V341 HydrophobicContact CD1-CB 4.19Å; I66-V341 HydrophobicContact CD1-CG1 4.38Å; I66-V341 HydrophobicContact CD1-CG2 4.1Å
67	L	98.6	Very high	83.4	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.6	174.4	177.7	58.9	0	0	0	109.8	W69 T94 D96 Y100 S103 A105 V106 L107	L67-W69 HydrophobicContact CD2-CE3 3.61Å; L67-W69 HydrophobicContact CD2-CZ3 3.83Å; L67-W69 HydrophobicContact CG-CE3 4.08Å; L67-W69 PolarHBondContact O-N 3.28Å; L67-W69 VanDerWaalsContact O-N 3.14Å; L67-T94 CarbonylContact C-O 3.55Å; L67-T94 WeakPolarHBondContact CA-O 3.34Å; L67-T94 HydrophobicContact CB-CG2 4.5Å; L67-T94 HydrophobicContact CD1-CG2 4.09Å; L67-T94 WeakPolarHBondContact CD1-O 3.45Å; L67-D96 WeakPolarHBondContact CD1-O 3.46Å; L67-Y100 HydrophobicContact CD2-CD2 4.1Å; L67-S103 WeakPolarHBondContact CB-OG 3.11Å; L67-A105 PolarHBondContact N-O 3.32Å; L67-V106 HydrophobicContact CB-CG2 4.45Å; L67-V106 CarbonylContact O-C 3.47Å; L67-V106 WeakPolarHBondContact O-CA 3.26Å; L67-L107 PolarHBondContact O-N 2.96Å
68	V	98.4	Very high	86	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	100.7	169.7	-179.8	0	0	0	0	107.2	W71 F77 L79 T94 T95 L107	V68-W71 HydrophobicContact CG1-CD2 4.43Å; V68-W71 HydrophobicContact CG1-CE3 3.95Å; V68-W71 HydrophobicContact CG1-CZ3 4.24Å; V68-F77 HydrophobicContact CG1-CE1 4.49Å; V68-F77 HydrophobicContact CG1-CZ 4.31Å; V68-F77 HydrophobicContact CG2-CZ 3.93Å; V68-L79 HydrophobicContact CG2-CD2 4.48Å; V68-T94 PolarHBondContact N-O 3.15Å; V68-T95 HydrophobicContact CB-CG2 3.98Å; V68-T95 HydrophobicContact CG1-CG2 4.4Å; V68-L107 HydrophobicContact CG2-CD2 4.38Å
69	W	98	Very high	88.5	Confident	20 Å²	20	61.9 Å²	61.9	8%	0.076	31%	0.312	C	S	.	.			trans	-77.2	-35.5	-169.9	-171.2	-107.3	0	0	0	112.8	L67 R97 Y100 V106 L107 I108 N119 P121	L67-W69 HydrophobicContact CD2-CE3 3.61Å; L67-W69 HydrophobicContact CD2-CZ3 3.83Å; L67-W69 HydrophobicContact CG-CE3 4.08Å; L67-W69 PolarHBondContact O-N 3.28Å; L67-W69 VanDerWaalsContact O-N 3.14Å; W69-R97 HydrophobicContact CE3-CG 4.32Å; W69-R97 HydrophobicContact CH2-CB 4.46Å; W69-R97 HydrophobicContact CH2-CG 4.26Å; W69-R97 HydrophobicContact CZ3-CB 4.09Å; W69-R97 HydrophobicContact CZ3-CG 3.87Å; W69-R97 PolarHBondContact O-NH1 3.4Å; W69-R97 PolarHBondContact O-NH2 2.9Å; W69-Y100 HydrophobicContact CE3-CD2 4.42Å; W69-Y100 AromaticContact CZ3-CD2 3.95Å; W69-Y100 HydrophobicContact CZ3-CD2 3.95Å; W69-Y100 HydrophobicContact CZ3-CG 4.44Å; W69-V106 HydrophobicContact CB-CG1 3.63Å; W69-V106 HydrophobicContact CD2-CG1 4.27Å; W69-V106 HydrophobicContact CE3-CG1 4.26Å; W69-V106 HydrophobicContact CG-CG1 4.05Å; W69-L107 WeakPolarHBondContact CB-O 3.33Å; W69-L107 PolarHBondContact N-O 3.27Å; W69-I108 HydrophobicContact CB-CG1 4Å; W69-I108 HydrophobicContact CG-CG1 4.41Å; W69-N119 PolarHBondContact NE1-O 3.03Å; W69-P121 HydrophobicContact CD2-CG 3.71Å; W69-P121 VanDerWaalsContact CE2-CD 3.41Å; W69-P121 VanDerWaalsContact CE2-CG 3.41Å; W69-P121 HydrophobicContact CE3-CG 4.08Å; W69-P121 HydrophobicContact CG-CG 4.31Å; W69-P121 HydrophobicContact CH2-CB 3.81Å; W69-P121 HydrophobicContact CH2-CG 3.95Å; W69-P121 HydrophobicContact CZ2-CB 3.66Å; W69-P121 HydrophobicContact CZ2-CG 3.57Å; W69-P121 HydrophobicContact CZ3-CB 4.36Å; W69-P121 HydrophobicContact CZ3-CG 4.18Å
70	V	92.1	Very high	90.7	Very high	26 Å²	26	61.5 Å²	61.5	16%	0.158	31%	0.314	C	S	.	.	S	Bend	trans	-137.4	130.8	173	-167.4	0	0	0	0	108.1	D112	V70-D112 HydrophobicContact CB-CB 4.18Å; V70-D112 HydrophobicContact CG1-CB 3.4Å; V70-D112 VanDerWaalsContact CG1-CB 3.4Å
71	W	95.1	Very high	93.1	Very high	59 Å²	59	50.8 Å²	50.8	22%	0.223	27%	0.272	C	S	.	.			trans	-65.5	127.1	172.1	-68.5	117	0	0	0	109.7	V68 F73 G74 T76 F77 L79 T95	V68-W71 HydrophobicContact CG1-CD2 4.43Å; V68-W71 HydrophobicContact CG1-CE3 3.95Å; V68-W71 HydrophobicContact CG1-CZ3 4.24Å; W71-F73 PolarHBondContact O-N 2.8Å; W71-F73 VanDerWaalsContact O-N 3.09Å; W71-G74 PolarHBondContact O-N 3.47Å; W71-T76 HydrophobicContact CD2-CG2 4.01Å; W71-T76 HydrophobicContact CG-CG2 4.23Å; W71-T76 HydrophobicContact CZ2-CG2 4.09Å; W71-F77 AromaticContact CE3-CD1 3.75Å; W71-F77 HydrophobicContact CE3-CD1 3.75Å; W71-F77 AromaticContact CE3-CE1 3.56Å; W71-F77 HydrophobicContact CE3-CE1 3.56Å; W71-F77 HydrophobicContact CE3-CZ 4.26Å; W71-F77 AromaticContact CZ3-CD1 3.44Å; W71-F77 HydrophobicContact CZ3-CD1 3.44Å; W71-F77 VanDerWaalsContact CZ3-CD1 3.44Å; W71-F77 HydrophobicContact CZ3-CD2 4.22Å; W71-F77 AromaticContact CZ3-CE1 3.35Å; W71-F77 HydrophobicContact CZ3-CE1 3.35Å; W71-F77 HydrophobicContact CZ3-CE2 4.12Å; W71-F77 AromaticContact CZ3-CG 3.92Å; W71-F77 HydrophobicContact CZ3-CG 3.92Å; W71-F77 AromaticContact CZ3-CZ 3.71Å; W71-F77 HydrophobicContact CZ3-CZ 3.71Å; W71-L79 HydrophobicContact CH2-CD1 4.15Å; W71-L79 HydrophobicContact CH2-CD2 3.7Å; W71-L79 HydrophobicContact CH2-CG 4.02Å; W71-L79 HydrophobicContact CZ3-CD2 4.14Å; W71-T95 HydrophobicContact CD2-CG2 4.2Å; W71-T95 VanDerWaalsContact CE2-CG2 3.42Å; W71-T95 HydrophobicContact CH2-CG2 3.66Å; W71-T95 HydrophobicContact CZ2-CG2 3.13Å; W71-T95 HydrophobicContact CZ3-CG2 4.33Å
72	P	96.3	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.5	116.1	179.4	-25	36	0	0	0	111.2	G74 Q75 H109 D112 M134 W330	P72-G74 PolarHBondContact O-N 3.31Å; P72-G74 VanDerWaalsContact O-N 3.1Å; P72-Q75 WeakPolarHBondContact O-CB 3.36Å; P72-Q75 PolarHBondContact O-N 3.26Å; P72-H109 WeakPolarHBondContact CA-ND1 3.42Å; P72-H109 HydrophobicContact CB-CB 4.29Å; P72-H109 HydrophobicContact CG-CB 4.16Å; P72-D112 WeakPolarHBondContact CA-OD2 3.35Å; P72-M134 HydrophobicContact CB-CE 4.38Å; P72-M134 HydrophobicContact CG-CE 3.42Å; P72-M134 VanDerWaalsContact CG-CE 3.42Å; P72-W330 HydrophobicContact CB-CD2 3.6Å; P72-W330 VanDerWaalsContact CB-CE2 3.4Å; P72-W330 HydrophobicContact CB-CE3 4.05Å; P72-W330 HydrophobicContact CB-CG 4.05Å; P72-W330 HydrophobicContact CB-CH2 4.11Å; P72-W330 HydrophobicContact CB-CZ2 3.68Å; P72-W330 HydrophobicContact CB-CZ3 4.28Å; P72-W330 HydrophobicContact CG-CB 4.38Å; P72-W330 HydrophobicContact CG-CD2 3.68Å; P72-W330 HydrophobicContact CG-CE3 3.99Å; P72-W330 HydrophobicContact CG-CG 3.84Å
73	F	95.8	Very high	96.2	Very high	93 Å²	93	46.2 Å²	46.2	41%	0.408	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	54.3	26.5	-175.5	-51.3	-70.6	0	0	0	114	W71 Q75 H109 R111 D112 W330	W71-F73 PolarHBondContact O-N 2.8Å; W71-F73 VanDerWaalsContact O-N 3.09Å; F73-Q75 HydrophobicContact CB-CG 4.49Å; F73-Q75 PolarHBondContact O-N 2.75Å; F73-H109 AromaticContact CD2-CE1 3.85Å; F73-H109 AromaticContact CE2-CE1 3.49Å; F73-H109 VanDerWaalsContact CE2-CE1 3.49Å; F73-H109 WeakPolarHBondContact CE2-CE1 3.31Å; F73-H109 AromaticContact CZ-CE1 3.59Å; F73-R111 HydrophobicContact CE1-CB 3.77Å; F73-R111 HydrophobicContact CE1-CG 4.11Å; F73-R111 HydrophobicContact CZ-CB 4.1Å; F73-R111 HydrophobicContact CZ-CG 4.04Å; F73-D112 PolarHBondContact N-OD1 3.06Å; F73-D112 PolarHBondContact N-OD2 3.07Å; F73-W330 AromaticContact CD2-CZ2 3.87Å; F73-W330 HydrophobicContact CD2-CZ2 3.87Å; F73-W330 HydrophobicContact CE2-CH2 4.2Å; F73-W330 AromaticContact CE2-CZ2 3.92Å; F73-W330 HydrophobicContact CE2-CZ2 3.92Å
74	G	94.6	Very high	96.3	Very high	57 Å²	57	46 Å²	46	59%	0.588	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	71.4	6.1	-174.7	0	0	0	0	0	115	W71 P72 T76	W71-G74 PolarHBondContact O-N 3.47Å; P72-G74 PolarHBondContact O-N 3.31Å; P72-G74 VanDerWaalsContact O-N 3.1Å; G74-T76 PolarHBondContact O-N 3.35Å
75	Q	96.1	Very high	96.3	Very high	105 Å²	105	49 Å²	49	49%	0.491	28%	0.279	S	S	.	.			trans	-80.3	119.6	178.8	-60.9	176.3	0	0	0	110.2	P72 F73	P72-Q75 WeakPolarHBondContact O-CB 3.36Å; P72-Q75 PolarHBondContact O-N 3.26Å; F73-Q75 HydrophobicContact CB-CG 4.49Å; F73-Q75 PolarHBondContact O-N 2.75Å
76	T	96.8	Very high	96.1	Very high	107 Å²	107	51 Å²	51	66%	0.656	29%	0.286	S	S	*	.			trans	-85.4	155.2	174.8	62.5	0	0	0	0	110.7	W71 G74	W71-T76 HydrophobicContact CD2-CG2 4.01Å; W71-T76 HydrophobicContact CG-CG2 4.23Å; W71-T76 HydrophobicContact CZ2-CG2 4.09Å; G74-T76 PolarHBondContact O-N 3.35Å
77	F	96.1	Very high	96	Very high	22 Å²	22	57 Å²	57	10%	0.096	32%	0.318	C	S	.	.			trans	-144.2	165.7	177.3	56.1	-94.7	0	0	0	110.7	V68 W71 L79 L93 W330 E331 A334	V68-F77 HydrophobicContact CG1-CE1 4.49Å; V68-F77 HydrophobicContact CG1-CZ 4.31Å; V68-F77 HydrophobicContact CG2-CZ 3.93Å; W71-F77 AromaticContact CE3-CD1 3.75Å; W71-F77 HydrophobicContact CE3-CD1 3.75Å; W71-F77 AromaticContact CE3-CE1 3.56Å; W71-F77 HydrophobicContact CE3-CE1 3.56Å; W71-F77 HydrophobicContact CE3-CZ 4.26Å; W71-F77 AromaticContact CZ3-CD1 3.44Å; W71-F77 HydrophobicContact CZ3-CD1 3.44Å; W71-F77 VanDerWaalsContact CZ3-CD1 3.44Å; W71-F77 HydrophobicContact CZ3-CD2 4.22Å; W71-F77 AromaticContact CZ3-CE1 3.35Å; W71-F77 HydrophobicContact CZ3-CE1 3.35Å; W71-F77 HydrophobicContact CZ3-CE2 4.12Å; W71-F77 AromaticContact CZ3-CG 3.92Å; W71-F77 HydrophobicContact CZ3-CG 3.92Å; W71-F77 AromaticContact CZ3-CZ 3.71Å; W71-F77 HydrophobicContact CZ3-CZ 3.71Å; F77-L79 HydrophobicContact CD2-CD2 4.37Å; F77-L79 HydrophobicContact CE2-CD2 3.93Å; F77-L79 PolarHBondContact O-N 3.49Å; F77-L93 HydrophobicContact CE2-CD1 4.25Å; F77-W330 HydrophobicContact CD1-CB 3.52Å; F77-W330 HydrophobicContact CD1-CG 4.34Å; F77-W330 HydrophobicContact CE1-CB 3.57Å; F77-W330 HydrophobicContact CE1-CG 4.49Å; F77-W330 HydrophobicContact CG-CB 4.22Å; F77-W330 HydrophobicContact CZ-CB 4.34Å; F77-E331 HydrophobicContact CB-CG 3.98Å; F77-E331 HydrophobicContact CD2-CG 4.05Å; F77-E331 HydrophobicContact CG-CG 4.36Å; F77-A334 HydrophobicContact CE2-CB 3.68Å; F77-A334 HydrophobicContact CZ-CB 3.75Å
78	D	96.2	Very high	95.9	Very high	70 Å²	70	57.8 Å²	57.8	37%	0.374	32%	0.322	S	S	.	.			trans	-70	114.8	-178.7	178.8	9.1	0	0	0	111.5	T80 S81	D78-T80 PolarHBondContact O-N 2.9Å; D78-T80 PolarHBondContact OD1-N 3.45Å; D78-T80 PolarHBondContact OD1-OG1 2.94Å; D78-T80 PolarHBondContact OD2-OG1 3.31Å; D78-S81 WeakPolarHBondContact O-CB 3.47Å; D78-S81 PolarHBondContact O-OG 3.25Å
79	L	97.3	Very high	95.7	Very high	42 Å²	42	62.8 Å²	62.8	22%	0.22	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.4	-179.5	-64.1	177.1	0	0	0	113.8	V68 W71 F77 L93	V68-L79 HydrophobicContact CG2-CD2 4.48Å; W71-L79 HydrophobicContact CH2-CD1 4.15Å; W71-L79 HydrophobicContact CH2-CD2 3.7Å; W71-L79 HydrophobicContact CH2-CG 4.02Å; W71-L79 HydrophobicContact CZ3-CD2 4.14Å; F77-L79 HydrophobicContact CD2-CD2 4.37Å; F77-L79 HydrophobicContact CE2-CD2 3.93Å; F77-L79 PolarHBondContact O-N 3.49Å; L79-L93 HydrophobicContact CB-CB 4Å; L79-L93 HydrophobicContact CD2-CB 3.62Å; L79-L93 HydrophobicContact CG-CB 4.39Å; L79-L93 WeakPolarHBondContact O-CB 3.35Å
80	T	96.1	Very high	95.5	Very high	113 Å²	113	63 Å²	63	69%	0.693	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	2.1	-179.5	68	0	0	0	0	113.5	D78 C82	D78-T80 PolarHBondContact O-N 2.9Å; D78-T80 PolarHBondContact OD1-N 3.45Å; D78-T80 PolarHBondContact OD1-OG1 2.94Å; D78-T80 PolarHBondContact OD2-OG1 3.31Å; T80-C82 VanDerWaalsContact C-N 3.34Å; T80-C82 PolarHBondContact O-N 3.46Å
81	S	94.9	Very high	95.8	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	35%	0.353	C	S	.	.	H	α-helix	trans	-70.1	-20.5	-171.2	56.2	0	0	0	0	115.6	D78 Q83 A84 M85 E331	D78-S81 WeakPolarHBondContact O-CB 3.47Å; D78-S81 PolarHBondContact O-OG 3.25Å; S81-Q83 PolarHBondContact O-N 2.87Å; S81-A84 PolarHBondContact O-N 3.1Å; S81-M85 WeakPolarHBondContact O-CB 3.48Å; S81-M85 PolarHBondContact O-N 2.95Å; S81-E331 WeakPolarHBondContact OG-CG 3.44Å
82	C	97.1	Very high	95.9	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.027	36%	0.357	C	S	.	.	H	α-helix	trans	-57.7	-45.6	-167.8	-62.2	0	0	0	0	114.3	T80 F86 N87 I88 C91 L93 C335	T80-C82 VanDerWaalsContact C-N 3.34Å; T80-C82 PolarHBondContact O-N 3.46Å; C82-F86 CarbonylContact O-C 3.55Å; C82-F86 WeakPolarHBondContact O-CA 3.29Å; C82-F86 WeakPolarHBondContact O-CB 3.45Å; C82-F86 PolarHBondContact O-N 2.77Å; C82-F86 VanDerWaalsContact O-N 3.15Å; C82-N87 PolarHBondContact O-N 2.96Å; C82-I88 CarbonylContact C-O 3.53Å; C82-I88 HydrophobicContact CB-CB 4.28Å; C82-I88 PolarHBondContact O-N 3.02Å; C82-C91 HydrophobicContact CB-CB 3.93Å; C82-L93 WeakPolarHBondContact SG-CD1 3.14Å; C82-C335 WeakPolarHBondContact CA-SG 3.41Å; C82-C335 HydrophobicContact CB-CB 3.8Å; C82-C335 WeakPolarHBondContact CB-SG 2.97Å; C82-C335 WeakPolarHBondContact SG-CA 3.34Å; C82-C335 WeakPolarHBondContact SG-CB 3.34Å; C82-C335 CovalentContact SG-SG 2.05Å; C82-C335 PolarHBondContact SG-SG 3.14Å
83	Q	95.5	Very high	96	Very high	122 Å²	122	63.5 Å²	63.5	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-71.6	-49.5	179.1	-179.9	173	-4.9	0	0	111.2	S81 M85 N87 I88 Q89	S81-Q83 PolarHBondContact O-N 2.87Å; Q83-M85 PolarHBondContact O-N 2.65Å; Q83-N87 VanDerWaalsContact O-CA 3.26Å; Q83-N87 WeakPolarHBondContact O-CA 3.42Å; Q83-N87 PolarHBondContact O-N 3.31Å; Q83-N87 VanDerWaalsContact O-N 3.08Å; Q83-I88 WeakPolarHBondContact CA-O 3.45Å; Q83-I88 PolarHBondContact N-O 2.78Å; Q83-Q89 HydrophobicContact CG-CG 4.23Å
84	A	95.4	Very high	96.1	Very high	93 Å²	93	59.8 Å²	59.8	77%	0.769	34%	0.344	S	S	*	.	H	α-helix	trans	-68.6	-35.8	-172.6	0	0	0	0	0	113.4	S81	S81-A84 PolarHBondContact O-N 3.1Å
85	M	94.8	Very high	96.3	Very high	73 Å²	73	59.6 Å²	59.6	36%	0.36	33%	0.331	S	S	.	.	H	α-helix	trans	-99.4	-31.8	-174.3	-60.9	-173.3	-147.6	0	0	113.7	S81 Q83 R328	S81-M85 WeakPolarHBondContact O-CB 3.48Å; S81-M85 PolarHBondContact O-N 2.95Å; Q83-M85 PolarHBondContact O-N 2.65Å; M85-R328 PolarHBondContact SD-NH1 3.24Å
86	F	95.3	Very high	96.3	Very high	61 Å²	61	58.2 Å²	58.2	27%	0.268	33%	0.327	S	S	.	.	H	α-helix	trans	-120.9	-0.5	-171.7	-52.3	-81.7	0	0	0	113.2	C82 I88 R328 E331 S332 C335	C82-F86 CarbonylContact O-C 3.55Å; C82-F86 WeakPolarHBondContact O-CA 3.29Å; C82-F86 WeakPolarHBondContact O-CB 3.45Å; C82-F86 PolarHBondContact O-N 2.77Å; C82-F86 VanDerWaalsContact O-N 3.15Å; F86-I88 HydrophobicContact CB-CD1 3.7Å; F86-I88 HydrophobicContact CB-CG1 3.92Å; F86-I88 PolarHBondContact O-N 3.08Å; F86-R328 HydrophobicContact CZ-CB 4.29Å; F86-E331 HydrophobicContact CE2-CB 3.77Å; F86-E331 HydrophobicContact CZ-CB 3.98Å; F86-S332 WeakPolarHBondContact CE1-OG 3.47Å; F86-S332 VanDerWaalsContact CZ-OG 3.28Å; F86-S332 WeakPolarHBondContact CZ-OG 3.29Å; F86-C335 HydrophobicContact CD2-CB 3.9Å; F86-C335 HydrophobicContact CE2-CB 4.33Å; F86-C335 HydrophobicContact CG-CB 4.39Å
87	N	95.7	Very high	96.4	Very high	126 Å²	126	58.9 Å²	58.9	67%	0.674	32%	0.318	S	S	*	.			trans	56.3	30.6	-174.1	-167	35.3	0	0	0	113.2	C82 Q83	C82-N87 PolarHBondContact O-N 2.96Å; Q83-N87 VanDerWaalsContact O-CA 3.26Å; Q83-N87 WeakPolarHBondContact O-CA 3.42Å; Q83-N87 PolarHBondContact O-N 3.31Å; Q83-N87 VanDerWaalsContact O-N 3.08Å
88	I	95.7	Very high	96.4	Very high	15 Å²	15	62 Å²	62	8%	0.077	34%	0.343	C	S	.	.			trans	-98.8	108.9	178.2	-61.2	168.1	0	0	0	108.2	C82 Q83 F86 C91 C335 L336 D339	C82-I88 CarbonylContact C-O 3.53Å; C82-I88 HydrophobicContact CB-CB 4.28Å; C82-I88 PolarHBondContact O-N 3.02Å; Q83-I88 WeakPolarHBondContact CA-O 3.45Å; Q83-I88 PolarHBondContact N-O 2.78Å; F86-I88 HydrophobicContact CB-CD1 3.7Å; F86-I88 HydrophobicContact CB-CG1 3.92Å; F86-I88 PolarHBondContact O-N 3.08Å; I88-C91 WeakPolarHBondContact CG2-SG 3.21Å; I88-C335 HydrophobicContact CD1-CB 3.95Å; I88-L336 HydrophobicContact CD1-CD2 4.23Å; I88-D339 HydrophobicContact CD1-CB 3.95Å; I88-D339 HydrophobicContact CG1-CB 4.28Å; I88-D339 HydrophobicContact CG2-CB 3.82Å
89	Q	94.4	Very high	96.5	Very high	110 Å²	110	60.6 Å²	60.6	51%	0.514	34%	0.335	S	S	.	.			trans	-94.9	152.7	-176.7	-61.5	179.4	11.9	0	0	112.7	Q83 K342	Q83-Q89 HydrophobicContact CG-CG 4.23Å; Q89-K342 PolarHBondContact O-NZ 2.95Å
90	G	95.1	Very high	96.5	Very high	24 Å²	24	58.6 Å²	58.6	25%	0.247	32%	0.324	C	S	.	.	S	Bend	trans	70.1	38	177.8	0	0	0	0	0	112.2	N62 E63 T64	N62-G90 VanDerWaalsContact O-CA 3.29Å; N62-G90 WeakPolarHBondContact O-CA 3.47Å; E63-G90 CarbonylContact C-O 3.54Å; E63-G90 WeakPolarHBondContact CA-O 3.45Å; T64-G90 PolarHBondContact N-O 2.86Å
91	C	97	Very high	96.6	Very high	23 Å²	23	56.9 Å²	56.9	16%	0.155	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.4	174.8	-77.5	0	0	0	0	110.3	C82 I88 C338	C82-C91 HydrophobicContact CB-CB 3.93Å; I88-C91 WeakPolarHBondContact CG2-SG 3.21Å; C91-C338 WeakPolarHBondContact CA-SG 3.46Å; C91-C338 HydrophobicContact CB-CB 3.91Å; C91-C338 WeakPolarHBondContact CB-SG 3.34Å; C91-C338 WeakPolarHBondContact SG-CB 3.4Å; C91-C338 CovalentContact SG-SG 2.02Å; C91-C338 PolarHBondContact SG-SG 3.23Å
92	H	97.7	Very high	96.6	Very high	65 Å²	65	64 Å²	64	30%	0.301	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	99.4	173	-176.5	163.2	0	0	0	108.6	E63 T64 T65 I66	E63-H92 VanDerWaalsContact CD-CB 3.47Å; E63-H92 HydrophobicContact CG-CB 3.67Å; E63-H92 WeakPolarHBondContact OE1-CB 3.47Å; E63-H92 IonicContact OE1-CG 3.95Å; E63-H92 IonicContact OE1-ND1 3.93Å; E63-H92 IonicContact OE2-ND1 3.48Å; E63-H92 PolarHBondContact OE2-ND1 2.65Å; T64-H92 PolarHBondContact O-N 2.92Å; T65-H92 CarbonylContact C-O 3.59Å; T65-H92 VanDerWaalsContact CA-O 3.27Å; T65-H92 WeakPolarHBondContact CA-O 3.23Å; T65-H92 HydrophobicContact CG2-CB 4.39Å; I66-H92 PolarHBondContact N-O 3.11Å
93	L	98.3	Very high	96.7	Very high	7 Å²	7	63.9 Å²	63.9	4%	0.037	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.3	171.3	-49.8	-176.1	0	0	0	109.1	I66 F77 L79 C82 A334 C338	I66-L93 HydrophobicContact CB-CD2 3.74Å; I66-L93 HydrophobicContact CG1-CD2 4.05Å; I66-L93 HydrophobicContact CG2-CD2 4.4Å; I66-L93 WeakPolarHBondContact O-CA 3.27Å; F77-L93 HydrophobicContact CE2-CD1 4.25Å; L79-L93 HydrophobicContact CB-CB 4Å; L79-L93 HydrophobicContact CD2-CB 3.62Å; L79-L93 HydrophobicContact CG-CB 4.39Å; L79-L93 WeakPolarHBondContact O-CB 3.35Å; C82-L93 WeakPolarHBondContact SG-CD1 3.14Å; L93-A334 HydrophobicContact CD1-CB 3.62Å; L93-A334 HydrophobicContact CD2-CB 4.17Å; L93-C338 HydrophobicContact CD2-CB 4.32Å
94	T	98.2	Very high	96.8	Very high	15 Å²	15	61.3 Å²	61.3	9%	0.092	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.6	-178.7	-175.2	0	0	0	0	111.4	T65 I66 L67 V68 D96 L99	T65-T94 HydrophobicContact CG2-CG2 3.88Å; I66-T94 PolarHBondContact O-N 3.26Å; L67-T94 CarbonylContact C-O 3.55Å; L67-T94 WeakPolarHBondContact CA-O 3.34Å; L67-T94 HydrophobicContact CB-CG2 4.5Å; L67-T94 HydrophobicContact CD1-CG2 4.09Å; L67-T94 WeakPolarHBondContact CD1-O 3.45Å; V68-T94 PolarHBondContact N-O 3.15Å; T94-D96 PolarHBondContact OG1-N 3.26Å; T94-D96 VanDerWaalsContact OG1-N 3.07Å; T94-L99 HydrophobicContact CG2-CD1 4Å
95	T	97.9	Very high	96.9	Very high	54 Å²	54	56.9 Å²	56.9	33%	0.331	29%	0.292	S	S	.	.			trans	-112.6	5.9	167	53.8	0	0	0	0	113	V68 W71 R97	V68-T95 HydrophobicContact CB-CG2 3.98Å; V68-T95 HydrophobicContact CG1-CG2 4.4Å; W71-T95 HydrophobicContact CD2-CG2 4.2Å; W71-T95 VanDerWaalsContact CE2-CG2 3.42Å; W71-T95 HydrophobicContact CH2-CG2 3.66Å; W71-T95 HydrophobicContact CZ2-CG2 3.13Å; W71-T95 HydrophobicContact CZ3-CG2 4.33Å; T95-R97 PolarHBondContact O-N 3.19Å; T95-R97 VanDerWaalsContact O-N 3.09Å
96	D	97.7	Very high	97.1	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	28%	0.275	S	S	.	.			trans	-72.3	104.5	177.7	-177.6	3.5	0	0	0	110.2	L67 T94 S98 L99	L67-D96 WeakPolarHBondContact CD1-O 3.46Å; T94-D96 PolarHBondContact OG1-N 3.26Å; T94-D96 VanDerWaalsContact OG1-N 3.07Å; D96-S98 PolarHBondContact O-N 3.26Å; D96-S98 VanDerWaalsContact O-N 3.13Å; D96-S98 WeakPolarHBondContact OD1-CB 3.35Å; D96-S98 PolarHBondContact OD1-N 3.12Å; D96-S98 PolarHBondContact OD1-OG 2.98Å; D96-S98 PolarHBondContact OD2-OG 3.26Å; D96-L99 HydrophobicContact CB-CD1 4.15Å; D96-L99 HydrophobicContact CB-CG 4.19Å; D96-L99 WeakPolarHBondContact O-CB 3.34Å; D96-L99 PolarHBondContact O-N 2.88Å
97	R	97.1	Very high	97.2	Very high	120 Å²	120	50.6 Å²	50.6	45%	0.453	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.1	178.5	-63	-177.4	-175.3	-86.7	-6.1	112.7	W69 T95 L99 Y100	W69-R97 HydrophobicContact CE3-CG 4.32Å; W69-R97 HydrophobicContact CH2-CB 4.46Å; W69-R97 HydrophobicContact CH2-CG 4.26Å; W69-R97 HydrophobicContact CZ3-CB 4.09Å; W69-R97 HydrophobicContact CZ3-CG 3.87Å; W69-R97 PolarHBondContact O-NH1 3.4Å; W69-R97 PolarHBondContact O-NH2 2.9Å; T95-R97 PolarHBondContact O-N 3.19Å; T95-R97 VanDerWaalsContact O-N 3.09Å; R97-L99 PolarHBondContact O-N 3.5Å; R97-Y100 WeakPolarHBondContact O-CB 3.35Å; R97-Y100 PolarHBondContact O-N 2.85Å; R97-Y100 VanDerWaalsContact O-N 3.15Å
98	S	97.1	Very high	97.3	Very high	89 Å²	89	44.6 Å²	44.6	62%	0.622	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-62.7	-24.8	174.5	89.6	0	0	0	0	112.1	D96 Y100	D96-S98 PolarHBondContact O-N 3.26Å; D96-S98 VanDerWaalsContact O-N 3.13Å; D96-S98 WeakPolarHBondContact OD1-CB 3.35Å; D96-S98 PolarHBondContact OD1-N 3.12Å; D96-S98 PolarHBondContact OD1-OG 2.98Å; D96-S98 PolarHBondContact OD2-OG 3.26Å; S98-Y100 VanDerWaalsContact C-N 3.3Å; S98-Y100 PolarHBondContact O-N 3.4Å
99	L	97.3	Very high	97.4	Very high	39 Å²	39	44 Å²	44	20%	0.204	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-86.3	5.3	178.7	-59.5	179.8	0	0	0	113.5	T94 D96 R97 N101 K102 S103	T94-L99 HydrophobicContact CG2-CD1 4Å; D96-L99 HydrophobicContact CB-CD1 4.15Å; D96-L99 HydrophobicContact CB-CG 4.19Å; D96-L99 WeakPolarHBondContact O-CB 3.34Å; D96-L99 PolarHBondContact O-N 2.88Å; R97-L99 PolarHBondContact O-N 3.5Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 2.87Å; L99-K102 HydrophobicContact CD2-CD 4.31Å; L99-K102 CarbonylContact O-C 3.56Å; L99-K102 PolarHBondContact O-N 3.29Å; L99-S103 PolarHBondContact O-N 3.33Å; L99-S103 PolarHBondContact O-OG 2.93Å
100	Y	98.2	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-49.8	-50.8	179.2	174.9	-98.7	0	0	0	112.3	L67 W69 R97 S98 K102 S103 V106 P121 Q123 Q129 W131	L67-Y100 HydrophobicContact CD2-CD2 4.1Å; W69-Y100 HydrophobicContact CE3-CD2 4.42Å; W69-Y100 AromaticContact CZ3-CD2 3.95Å; W69-Y100 HydrophobicContact CZ3-CD2 3.95Å; W69-Y100 HydrophobicContact CZ3-CG 4.44Å; R97-Y100 WeakPolarHBondContact O-CB 3.35Å; R97-Y100 PolarHBondContact O-N 2.85Å; R97-Y100 VanDerWaalsContact O-N 3.15Å; S98-Y100 VanDerWaalsContact C-N 3.3Å; S98-Y100 PolarHBondContact O-N 3.4Å; Y100-K102 PolarHBondContact O-N 3.25Å; Y100-K102 VanDerWaalsContact O-N 3.1Å; Y100-S103 PolarHBondContact O-N 3.43Å; Y100-V106 HydrophobicContact CD2-CG2 3.93Å; Y100-V106 HydrophobicContact CE2-CG2 3.82Å; Y100-P121 HydrophobicContact CD2-CB 3.89Å; Y100-P121 HydrophobicContact CD2-CG 4.11Å; Y100-P121 HydrophobicContact CE1-CB 4.46Å; Y100-P121 HydrophobicContact CE2-CB 3.27Å; Y100-P121 HydrophobicContact CE2-CG 3.52Å; Y100-Q123 HydrophobicContact CD1-CB 3.92Å; Y100-Q123 HydrophobicContact CE1-CB 3.62Å; Y100-Q123 PolarHBondContact OH-O 2.97Å; Y100-Q129 VanDerWaalsContact CE2-OE1 3.25Å; Y100-Q129 VanDerWaalsContact CZ-OE1 3.28Å; Y100-Q129 PolarHBondContact O-NE2 2.8Å; Y100-Q129 PolarHBondContact OH-OE1 2.93Å; Y100-W131 HydrophobicContact CE2-CZ2 4.35Å; Y100-W131 AromaticContact CE2-NE1 3.88Å; Y100-W131 WeakPolarHBondContact OH-CZ2 3.22Å; Y100-W131 PolarHBondContact OH-NE1 2.92Å
101	N	97.2	Very high	97.6	Very high	77 Å²	77	42.6 Å²	42.6	41%	0.412	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-71.6	-6	-177.8	-65.8	-40.1	0	0	0	114.5	L99 Q123 F128	L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 2.87Å; N101-Q123 PolarHBondContact ND2-OE1 2.89Å; N101-F128 WeakPolarHBondContact O-CZ 3.29Å
102	K	96.4	Very high	97.6	Very high	152 Å²	152	43.4 Å²	43.4	66%	0.661	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-113.1	-11.5	179.2	-63.1	-179.9	-179.5	176.2	0	112.9	L99 Y100	L99-K102 HydrophobicContact CD2-CD 4.31Å; L99-K102 CarbonylContact O-C 3.56Å; L99-K102 PolarHBondContact O-N 3.29Å; Y100-K102 PolarHBondContact O-N 3.25Å; Y100-K102 VanDerWaalsContact O-N 3.1Å
103	S	97.8	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.			trans	-78.4	132.5	-176.4	-61.3	0	0	0	0	110.3	L67 L99 Y100 A105 Q129	L67-S103 WeakPolarHBondContact CB-OG 3.11Å; L99-S103 PolarHBondContact O-N 3.33Å; L99-S103 PolarHBondContact O-OG 2.93Å; Y100-S103 PolarHBondContact O-N 3.43Å; S103-A105 VanDerWaalsContact C-N 3.31Å; S103-Q129 WeakPolarHBondContact O-CG 3.36Å; S103-Q129 PolarHBondContact O-NE2 3.42Å
104	H	97.6	Very high	97.5	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.315	21%	0.207	S	C	.	.	S	Bend	trans	-70.9	-32.3	179.7	-63.7	83.1	0	0	0	111.2	E63 T64 T65 Q129 K130 V341	E63-H104 PolarHBondContact O-CE1 2.73Å; T64-H104 HydrophobicContact CG2-CB 4.07Å; T65-H104 PolarHBondContact N-ND1 3.02Å; T65-H104 WeakPolarHBondContact O-CB 3.37Å; T65-H104 PolarHBondContact O-N 2.91Å; H104-Q129 WeakPolarHBondContact O-CA 3.47Å; H104-K130 PolarHBondContact O-N 2.87Å; H104-V341 HydrophobicContact CB-CG1 3.96Å
105	A	98.3	Very high	97.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160	168.9	0	0	0	0	0	113	T65 I66 L67 S103 K130 I132 V341	T65-A105 PolarHBondContact O-N 3.19Å; I66-A105 HydrophobicContact CD1-CB 3.58Å; L67-A105 PolarHBondContact N-O 3.32Å; S103-A105 VanDerWaalsContact C-N 3.31Å; A105-K130 CarbonylContact C-O 3.6Å; A105-K130 WeakPolarHBondContact CA-O 3.44Å; A105-K130 HydrophobicContact CB-CB 4.32Å; A105-K130 VanDerWaalsContact CB-O 3.23Å; A105-K130 WeakPolarHBondContact CB-O 3.35Å; A105-I132 HydrophobicContact CB-CD1 3.72Å; A105-I132 HydrophobicContact CB-CG1 4.04Å; A105-V341 HydrophobicContact CB-CG1 4.29Å; A105-V341 HydrophobicContact CB-CG2 3.71Å
106	V	98.6	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.2	176.2	-174.6	0	0	0	0	107.6	L67 W69 Y100 I108 P121 Q129 K130 W131 I132	L67-V106 HydrophobicContact CB-CG2 4.45Å; L67-V106 CarbonylContact O-C 3.47Å; L67-V106 WeakPolarHBondContact O-CA 3.26Å; W69-V106 HydrophobicContact CB-CG1 3.63Å; W69-V106 HydrophobicContact CD2-CG1 4.27Å; W69-V106 HydrophobicContact CE3-CG1 4.26Å; W69-V106 HydrophobicContact CG-CG1 4.05Å; Y100-V106 HydrophobicContact CD2-CG2 3.93Å; Y100-V106 HydrophobicContact CE2-CG2 3.82Å; V106-I108 HydrophobicContact CG1-CD1 4.05Å; V106-I108 HydrophobicContact CG1-CG1 3.89Å; V106-P121 HydrophobicContact CG1-CG 4.35Å; V106-Q129 HydrophobicContact CG2-CG 4.07Å; V106-K130 PolarHBondContact N-O 2.92Å; V106-W131 HydrophobicContact CB-CG 4.42Å; V106-I132 PolarHBondContact O-N 3.27Å
107	L	98.6	Very high	97.2	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.5	178.9	-174.5	66.3	0	0	0	109.3	I66 L67 V68 W69 I132 M134 L156 A334	I66-L107 HydrophobicContact CG2-CB 4.08Å; L67-L107 PolarHBondContact O-N 2.96Å; V68-L107 HydrophobicContact CG2-CD2 4.38Å; W69-L107 WeakPolarHBondContact CB-O 3.33Å; W69-L107 PolarHBondContact N-O 3.27Å; L107-I132 HydrophobicContact CD1-CB 3.9Å; L107-I132 HydrophobicContact CD1-CG2 3.79Å; L107-M134 HydrophobicContact CD1-CB 3.81Å; L107-M134 HydrophobicContact CD1-CG 4.47Å; L107-M134 HydrophobicContact CD1-SD 4Å; L107-M134 HydrophobicContact CD2-CE 4.13Å; L107-M134 HydrophobicContact CD2-SD 4.03Å; L107-M134 HydrophobicContact CG-CE 4.24Å; L107-M134 HydrophobicContact CG-SD 4.23Å; L107-L156 HydrophobicContact CD1-CD1 4.18Å; L107-A334 HydrophobicContact CD2-CB 4.14Å
108	I	98.1	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.1	-174.2	-56	176.7	0	0	0	108.6	W69 V106 I113 L120 W131 I132 M134 F152	W69-I108 HydrophobicContact CB-CG1 4Å; W69-I108 HydrophobicContact CG-CG1 4.41Å; V106-I108 HydrophobicContact CG1-CD1 4.05Å; V106-I108 HydrophobicContact CG1-CG1 3.89Å; I108-I113 HydrophobicContact CG2-CD1 3.86Å; I108-I113 HydrophobicContact CG2-CG1 3.79Å; I108-L120 HydrophobicContact CD1-CD2 4.25Å; I108-L120 HydrophobicContact CG2-CD2 3.8Å; I108-W131 HydrophobicContact CD1-CD2 3.97Å; I108-W131 HydrophobicContact CD1-CE3 3.73Å; I108-W131 HydrophobicContact CD1-CG 4.42Å; I108-W131 HydrophobicContact CD1-CZ3 4.19Å; I108-I132 PolarHBondContact N-O 2.8Å; I108-M134 PolarHBondContact O-N 3.38Å; I108-F152 HydrophobicContact CB-CE1 4.06Å; I108-F152 HydrophobicContact CD1-CE1 4.01Å; I108-F152 HydrophobicContact CG2-CE1 4.38Å
109	H	97.7	Very high	97	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.2	176.3	-176.4	-126.7	0	0	0	111.1	P72 F73 R111 D112 M134	P72-H109 WeakPolarHBondContact CA-ND1 3.42Å; P72-H109 HydrophobicContact CB-CB 4.29Å; P72-H109 HydrophobicContact CG-CB 4.16Å; F73-H109 AromaticContact CD2-CE1 3.85Å; F73-H109 AromaticContact CE2-CE1 3.49Å; F73-H109 VanDerWaalsContact CE2-CE1 3.49Å; F73-H109 WeakPolarHBondContact CE2-CE1 3.31Å; F73-H109 AromaticContact CZ-CE1 3.59Å; H109-R111 VanDerWaalsContact C-N 3.34Å; H109-R111 PolarHBondContact O-N 3Å; H109-D112 IonicContact CE1-OD2 3.26Å; H109-D112 IonicContact CG-OD2 2.8Å; H109-D112 IonicContact ND1-OD2 3.72Å; H109-D112 PolarHBondContact ND1-OD2 3.19Å; H109-D112 PolarHBondContact O-N 2.8Å; H109-M134 CarbonylContact C-O 3.53Å; H109-M134 WeakPolarHBondContact CA-O 3.35Å; H109-M134 HydrophobicContact CB-CE 3.86Å; H109-M134 PolarHBondContact CD2-O 3.32Å
110	H	97.3	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.7	-43	-171.2	176.9	80.2	0	0	0	113.7	D112 I113 W133 M134 N135 T142 P143	H110-D112 PolarHBondContact O-N 2.83Å; H110-D112 VanDerWaalsContact O-N 3.16Å; H110-I113 WeakPolarHBondContact O-CB 3.44Å; H110-I113 WeakPolarHBondContact O-CG1 3.35Å; H110-I113 PolarHBondContact O-N 3.24Å; H110-W133 HydrophobicContact CB-CZ2 3.87Å; H110-W133 AromaticContact CG-CE2 3.92Å; H110-W133 AromaticContact CG-CZ2 3.78Å; H110-W133 AromaticContact CG-NE1 3.53Å; H110-W133 AromaticContact ND1-CE2 3.83Å; H110-W133 AromaticContact ND1-CZ2 3.85Å; H110-W133 AromaticContact ND1-NE1 3.18Å; H110-W133 PolarHBondContact ND1-NE1 3.45Å; H110-W133 VanDerWaalsContact ND1-NE1 3.18Å; H110-M134 PolarHBondContact N-O 2.96Å; H110-N135 HydrophobicContact CB-CB 3.86Å; H110-T142 WeakPolarHBondContact CD2-CG2 3.44Å; H110-T142 VanDerWaalsContact NE2-CG2 3.26Å; H110-T142 WeakPolarHBondContact NE2-CG2 3.37Å; H110-P143 PolarHBondContact NE2-O 3.08Å; H110-P143 VanDerWaalsContact NE2-O 3.11Å
111	R	96.4	Very high	96.9	Very high	105 Å²	105	45.5 Å²	45.5	40%	0.396	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.8	-20.3	-175.5	-67.8	-73.8	-59.3	177	7	112.9	F73 H109 E137 H141	F73-R111 HydrophobicContact CE1-CB 3.77Å; F73-R111 HydrophobicContact CE1-CG 4.11Å; F73-R111 HydrophobicContact CZ-CB 4.1Å; F73-R111 HydrophobicContact CZ-CG 4.04Å; H109-R111 VanDerWaalsContact C-N 3.34Å; H109-R111 PolarHBondContact O-N 3Å; R111-E137 HydrophobicContact CG-CG 4.16Å; R111-H141 PolarHBondContact NH1-O 3.07Å
112	D	96.8	Very high	96.8	Very high	41 Å²	41	48.9 Å²	48.9	22%	0.219	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-99.9	4	177.2	-57.5	-66.2	0	0	0	113.3	V70 P72 F73 H109 H110 S114 N119	V70-D112 HydrophobicContact CB-CB 4.18Å; V70-D112 HydrophobicContact CG1-CB 3.4Å; V70-D112 VanDerWaalsContact CG1-CB 3.4Å; P72-D112 WeakPolarHBondContact CA-OD2 3.35Å; F73-D112 PolarHBondContact N-OD1 3.06Å; F73-D112 PolarHBondContact N-OD2 3.07Å; H109-D112 IonicContact CE1-OD2 3.26Å; H109-D112 IonicContact CG-OD2 2.8Å; H109-D112 IonicContact ND1-OD2 3.72Å; H109-D112 PolarHBondContact ND1-OD2 3.19Å; H109-D112 PolarHBondContact O-N 2.8Å; H110-D112 PolarHBondContact O-N 2.83Å; H110-D112 VanDerWaalsContact O-N 3.16Å; D112-S114 PolarHBondContact O-N 3.06Å; D112-N119 PolarHBondContact O-ND2 3.12Å
113	I	96.7	Very high	96.6	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	22%	0.221	C	C	.	.			trans	-70.4	127.6	172.1	-58.8	177.6	0	0	0	109	I108 H110 L117 L120 K145 I148 F152	I108-I113 HydrophobicContact CG2-CD1 3.86Å; I108-I113 HydrophobicContact CG2-CG1 3.79Å; H110-I113 WeakPolarHBondContact O-CB 3.44Å; H110-I113 WeakPolarHBondContact O-CG1 3.35Å; H110-I113 PolarHBondContact O-N 3.24Å; I113-L117 HydrophobicContact CG2-CD2 3.69Å; I113-L120 HydrophobicContact CD1-CD2 4.34Å; I113-L120 HydrophobicContact CG1-CD2 4.04Å; I113-L120 HydrophobicContact CG2-CD1 4.14Å; I113-L120 HydrophobicContact CG2-CD2 4.03Å; I113-L120 HydrophobicContact CG2-CG 4.12Å; I113-K145 HydrophobicContact CB-CD 3.77Å; I113-K145 HydrophobicContact CG2-CD 3.82Å; I113-K145 WeakPolarHBondContact O-CE 3.34Å; I113-K145 PolarHBondContact O-NZ 3.29Å; I113-I148 HydrophobicContact CD1-CD1 4.45Å; I113-F152 HydrophobicContact CD1-CZ 4.03Å
114	S	96.1	Very high	96.4	Very high	29 Å²	29	50.3 Å²	50.3	20%	0.203	26%	0.256	C	S	.	.			trans	-69.5	150.5	176.7	66.6	0	0	0	0	111.1	D112 D116 L117 T118 N119	D112-S114 PolarHBondContact O-N 3.06Å; S114-D116 WeakPolarHBondContact CB-OD1 3.37Å; S114-D116 PolarHBondContact O-N 3.35Å; S114-D116 PolarHBondContact OG-OD1 3.35Å; S114-L117 PolarHBondContact O-N 3.49Å; S114-L117 VanDerWaalsContact O-N 3.07Å; S114-L117 PolarHBondContact OG-N 2.63Å; S114-T118 PolarHBondContact OG-N 3.31Å; S114-N119 PolarHBondContact N-ND2 3.12Å; S114-N119 PolarHBondContact N-OD1 3.26Å; S114-N119 PolarHBondContact OG-N 2.98Å; S114-N119 PolarHBondContact OG-OD1 2.83Å; S114-N119 VanDerWaalsContact OG-OD1 3.14Å
115	W	95.9	Very high	96.3	Very high	178 Å²	178	51.5 Å²	51.5	67%	0.674	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.5	-178.9	-74.3	105.2	0	0	0	113.6	L117 P143 Q144 K145	W115-L117 VanDerWaalsContact C-N 3.32Å; W115-P143 HydrophobicContact CH2-CB 3.76Å; W115-P143 HydrophobicContact CZ2-CB 4.19Å; W115-Q144 WeakPolarHBondContact CZ3-O 3.47Å; W115-K145 HydrophobicContact CE3-CG 4.16Å; W115-K145 HydrophobicContact CZ3-CG 4.1Å
116	D	95.7	Very high	96.1	Very high	103 Å²	103	52.2 Å²	52.2	55%	0.551	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	1.9	176.9	64.7	-6.3	0	0	0	113.1	S114 T118	S114-D116 WeakPolarHBondContact CB-OD1 3.37Å; S114-D116 PolarHBondContact O-N 3.35Å; S114-D116 PolarHBondContact OG-OD1 3.35Å; D116-T118 HydrophobicContact CB-CG2 4.09Å; D116-T118 PolarHBondContact O-N 3Å; D116-T118 PolarHBondContact OD1-N 2.85Å; D116-T118 PolarHBondContact OD1-OG1 2.88Å; D116-T118 WeakPolarHBondContact OD2-CG2 3.4Å; D116-T118 PolarHBondContact OD2-OG1 3.18Å
117	L	95.5	Very high	95.9	Very high	36 Å²	36	58.5 Å²	58.5	19%	0.188	30%	0.303	C	S	.	.			trans	57.9	9.3	-178.1	-48.7	-179.1	0	0	0	115.2	I113 S114 W115 N119 L120 Q122 I148	I113-L117 HydrophobicContact CG2-CD2 3.69Å; S114-L117 PolarHBondContact O-N 3.49Å; S114-L117 VanDerWaalsContact O-N 3.07Å; S114-L117 PolarHBondContact OG-N 2.63Å; W115-L117 VanDerWaalsContact C-N 3.32Å; L117-N119 PolarHBondContact O-N 3.22Å; L117-L120 HydrophobicContact CB-CD1 4.14Å; L117-L120 HydrophobicContact CB-CG 4.47Å; L117-L120 HydrophobicContact CD2-CD1 4.05Å; L117-L120 WeakPolarHBondContact O-CB 3.36Å; L117-L120 PolarHBondContact O-N 3.16Å; L117-Q122 PolarHBondContact O-NE2 3.43Å; L117-I148 HydrophobicContact CD1-CG2 4.2Å; L117-I148 HydrophobicContact CD2-CG2 3.5Å
118	T	95.4	Very high	95.7	Very high	90 Å²	90	63.5 Å²	63.5	55%	0.552	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.4	-176.3	55.9	0	0	0	0	112.7	S114 D116 L120	S114-T118 PolarHBondContact OG-N 3.31Å; D116-T118 HydrophobicContact CB-CG2 4.09Å; D116-T118 PolarHBondContact O-N 3Å; D116-T118 PolarHBondContact OD1-N 2.85Å; D116-T118 PolarHBondContact OD1-OG1 2.88Å; D116-T118 WeakPolarHBondContact OD2-CG2 3.4Å; D116-T118 PolarHBondContact OD2-OG1 3.18Å; T118-L120 VanDerWaalsContact C-N 3.32Å
119	N	96.1	Very high	95.6	Very high	52 Å²	52	63.7 Å²	63.7	28%	0.278	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.3	177.4	80.7	-19.3	0	0	0	114.2	W69 D112 S114 L117	W69-N119 PolarHBondContact NE1-O 3.03Å; D112-N119 PolarHBondContact O-ND2 3.12Å; S114-N119 PolarHBondContact N-ND2 3.12Å; S114-N119 PolarHBondContact N-OD1 3.26Å; S114-N119 PolarHBondContact OG-N 2.98Å; S114-N119 PolarHBondContact OG-OD1 2.83Å; S114-N119 VanDerWaalsContact OG-OD1 3.14Å; L117-N119 PolarHBondContact O-N 3.22Å
120	L	97	Very high	95.6	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.042	33%	0.328	C	S	.	.	S	Bend	trans	-81.2	161.4	170.1	-63	-173.3	0	0	0	111.4	I108 I113 L117 T118 Q122 L151	I108-L120 HydrophobicContact CD1-CD2 4.25Å; I108-L120 HydrophobicContact CG2-CD2 3.8Å; I113-L120 HydrophobicContact CD1-CD2 4.34Å; I113-L120 HydrophobicContact CG1-CD2 4.04Å; I113-L120 HydrophobicContact CG2-CD1 4.14Å; I113-L120 HydrophobicContact CG2-CD2 4.03Å; I113-L120 HydrophobicContact CG2-CG 4.12Å; L117-L120 HydrophobicContact CB-CD1 4.14Å; L117-L120 HydrophobicContact CB-CG 4.47Å; L117-L120 HydrophobicContact CD2-CD1 4.05Å; L117-L120 WeakPolarHBondContact O-CB 3.36Å; L117-L120 PolarHBondContact O-N 3.16Å; T118-L120 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 3.49Å; L120-Q122 PolarHBondContact O-NE2 3Å; L120-L151 HydrophobicContact CD1-CD1 4Å
121	P	96.4	Very high	95.6	Very high	9 Å²	9	65 Å²	65	6%	0.058	33%	0.331	C	S	.	.			trans	-62.5	124	175.1	-11.5	22.4	0	0	0	111.5	W69 Y100 V106 W131	W69-P121 HydrophobicContact CD2-CG 3.71Å; W69-P121 VanDerWaalsContact CE2-CD 3.41Å; W69-P121 VanDerWaalsContact CE2-CG 3.41Å; W69-P121 HydrophobicContact CE3-CG 4.08Å; W69-P121 HydrophobicContact CG-CG 4.31Å; W69-P121 HydrophobicContact CH2-CB 3.81Å; W69-P121 HydrophobicContact CH2-CG 3.95Å; W69-P121 HydrophobicContact CZ2-CB 3.66Å; W69-P121 HydrophobicContact CZ2-CG 3.57Å; W69-P121 HydrophobicContact CZ3-CB 4.36Å; W69-P121 HydrophobicContact CZ3-CG 4.18Å; Y100-P121 HydrophobicContact CD2-CB 3.89Å; Y100-P121 HydrophobicContact CD2-CG 4.11Å; Y100-P121 HydrophobicContact CE1-CB 4.46Å; Y100-P121 HydrophobicContact CE2-CB 3.27Å; Y100-P121 HydrophobicContact CE2-CG 3.52Å; V106-P121 HydrophobicContact CG1-CG 4.35Å; P121-W131 HydrophobicContact CB-CH2 4.12Å; P121-W131 HydrophobicContact CB-CZ2 3.67Å; P121-W131 HydrophobicContact CG-CH2 3.84Å; P121-W131 HydrophobicContact CG-CZ2 3.45Å; P121-W131 VanDerWaalsContact CG-CZ2 3.45Å
122	Q	93.8	Very high	95.7	Very high	147 Å²	147	60 Å²	60	69%	0.687	31%	0.312	S	S	*	.			trans	-92	-9.6	178.6	-54.9	-57.1	-48.9	0	0	112.9	L117 L120	L117-Q122 PolarHBondContact O-NE2 3.43Å; L120-Q122 PolarHBondContact O-N 3.49Å; L120-Q122 PolarHBondContact O-NE2 3Å
123	Q	92.2	Very high	95.8	Very high	94 Å²	94	58 Å²	58	44%	0.439	30%	0.302	S	S	.	.	S	Bend	trans	-78.2	147.1	178.7	-68	175.9	75.3	0	0	110.5	Y100 N101 R125	Y100-Q123 HydrophobicContact CD1-CB 3.92Å; Y100-Q123 HydrophobicContact CE1-CB 3.62Å; Y100-Q123 PolarHBondContact OH-O 2.97Å; N101-Q123 PolarHBondContact ND2-OE1 2.89Å; Q123-R125 PolarHBondContact O-N 3.29Å
124	A	94.2	Very high	95.9	Very high	89 Å²	89	58 Å²	58	74%	0.736	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-54	126.2	174.8	0	0	0	0	0	110.7	P126	A124-P126 WeakPolarHBondContact O-CD 3.49Å
125	R	95.1	Very high	95.9	Very high	92 Å²	92	56.6 Å²	56.6	35%	0.347	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-68.6	123.1	179.7	-176.2	176	66.4	-164.6	-3.3	110	Q123 Q129 L151 N153	Q123-R125 PolarHBondContact O-N 3.29Å; R125-Q129 HydrophobicContact CG-CB 4.14Å; R125-Q129 HydrophobicContact CG-CG 4.34Å; R125-L151 PolarHBondContact NH1-O 3.18Å; R125-N153 PolarHBondContact NH1-OD1 3.29Å
126	P	95.4	Very high	95.9	Very high	16 Å²	16	48.2 Å²	48.2	10%	0.104	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.9	144.6	172.7	-22.8	32.7	0	0	0	111.6	A124 F128 Q129	A124-P126 WeakPolarHBondContact O-CD 3.49Å; P126-F128 HydrophobicContact CB-CD1 3.81Å; P126-F128 HydrophobicContact CB-CE1 3.37Å; P126-F128 HydrophobicContact CB-CE2 4.35Å; P126-F128 HydrophobicContact CB-CG 4.47Å; P126-F128 HydrophobicContact CB-CZ 3.68Å; P126-F128 HydrophobicContact CG-CE1 4.29Å; P126-F128 HydrophobicContact CG-CZ 4.19Å; P126-F128 PolarHBondContact O-N 3Å; P126-F128 VanDerWaalsContact O-N 3.13Å; P126-Q129 HydrophobicContact CB-CB 4.19Å; P126-Q129 HydrophobicContact CG-CB 4.38Å; P126-Q129 WeakPolarHBondContact O-CB 3.3Å; P126-Q129 PolarHBondContact O-N 2.98Å
127	P	93.5	Very high	96	Very high	131 Å²	131	45.4 Å²	45.4	85%	0.851	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.6	-173.5	24.4	-34.6	0	0	0	114.3
128	F	93.7	Very high	96.1	Very high	108 Å²	108	43.7 Å²	43.7	47%	0.474	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-14.4	176.5	64.5	-96.2	0	0	0	113.4	N101 P126	N101-F128 WeakPolarHBondContact O-CZ 3.29Å; P126-F128 HydrophobicContact CB-CD1 3.81Å; P126-F128 HydrophobicContact CB-CE1 3.37Å; P126-F128 HydrophobicContact CB-CE2 4.35Å; P126-F128 HydrophobicContact CB-CG 4.47Å; P126-F128 HydrophobicContact CB-CZ 3.68Å; P126-F128 HydrophobicContact CG-CE1 4.29Å; P126-F128 HydrophobicContact CG-CZ 4.19Å; P126-F128 PolarHBondContact O-N 3Å; P126-F128 VanDerWaalsContact O-N 3.13Å
129	Q	96.8	Very high	96.2	Very high	3 Å²	3	40 Å²	40	1%	0.014	21%	0.213	C	C	.	.			trans	-85.1	135.8	-172.2	178	176.9	89	0	0	111.5	Y100 S103 H104 V106 R125 P126	Y100-Q129 VanDerWaalsContact CE2-OE1 3.25Å; Y100-Q129 VanDerWaalsContact CZ-OE1 3.28Å; Y100-Q129 PolarHBondContact O-NE2 2.8Å; Y100-Q129 PolarHBondContact OH-OE1 2.93Å; S103-Q129 WeakPolarHBondContact O-CG 3.36Å; S103-Q129 PolarHBondContact O-NE2 3.42Å; H104-Q129 WeakPolarHBondContact O-CA 3.47Å; V106-Q129 HydrophobicContact CG2-CG 4.07Å; R125-Q129 HydrophobicContact CG-CB 4.14Å; R125-Q129 HydrophobicContact CG-CG 4.34Å; P126-Q129 HydrophobicContact CB-CB 4.19Å; P126-Q129 HydrophobicContact CG-CB 4.38Å; P126-Q129 WeakPolarHBondContact O-CB 3.3Å; P126-Q129 PolarHBondContact O-N 2.98Å
130	K	97.7	Very high	96.1	Very high	14 Å²	14	41.9 Å²	41.9	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.5	174.2	-64.9	-177.9	-178.9	-176.7	0	111.3	H104 A105 V106 N153 L154 H344 E346	H104-K130 PolarHBondContact O-N 2.87Å; A105-K130 CarbonylContact C-O 3.6Å; A105-K130 WeakPolarHBondContact CA-O 3.44Å; A105-K130 HydrophobicContact CB-CB 4.32Å; A105-K130 VanDerWaalsContact CB-O 3.23Å; A105-K130 WeakPolarHBondContact CB-O 3.35Å; V106-K130 PolarHBondContact N-O 2.92Å; K130-N153 WeakPolarHBondContact CA-OD1 3.47Å; K130-N153 HydrophobicContact CB-CB 3.91Å; K130-N153 HydrophobicContact CG-CB 4.08Å; K130-L154 HydrophobicContact CB-CD1 4.28Å; K130-L154 HydrophobicContact CD-CD1 3.8Å; K130-L154 HydrophobicContact CD-CG 4.16Å; K130-H344 PolarHBondContact NZ-O 3.25Å; K130-E346 WeakPolarHBondContact CE-O 3.27Å; K130-E346 PolarHBondContact NZ-O 3.29Å
131	W	97.9	Very high	96	Very high	16 Å²	16	43.2 Å²	43.2	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.1	165.7	-75	19	0	0	0	109.5	Y100 V106 I108 P121 L151 F152 N153 L154	Y100-W131 HydrophobicContact CE2-CZ2 4.35Å; Y100-W131 AromaticContact CE2-NE1 3.88Å; Y100-W131 WeakPolarHBondContact OH-CZ2 3.22Å; Y100-W131 PolarHBondContact OH-NE1 2.92Å; V106-W131 HydrophobicContact CB-CG 4.42Å; I108-W131 HydrophobicContact CD1-CD2 3.97Å; I108-W131 HydrophobicContact CD1-CE3 3.73Å; I108-W131 HydrophobicContact CD1-CG 4.42Å; I108-W131 HydrophobicContact CD1-CZ3 4.19Å; P121-W131 HydrophobicContact CB-CH2 4.12Å; P121-W131 HydrophobicContact CB-CZ2 3.67Å; P121-W131 HydrophobicContact CG-CH2 3.84Å; P121-W131 HydrophobicContact CG-CZ2 3.45Å; P121-W131 VanDerWaalsContact CG-CZ2 3.45Å; W131-L151 HydrophobicContact CE3-CB 4.2Å; W131-L151 HydrophobicContact CZ3-CB 4.22Å; W131-L151 HydrophobicContact CZ3-CD1 4.22Å; W131-F152 HydrophobicContact CB-CD1 3.99Å; W131-F152 HydrophobicContact CE3-CE1 4.45Å; W131-N153 PolarHBondContact N-OD1 2.81Å; W131-N153 PolarHBondContact O-N 3Å; W131-L154 PolarHBondContact O-N 3.22Å; W131-L154 VanDerWaalsContact O-N 3.08Å
132	I	98.5	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.6	-177.9	-49	-178.9	0	0	0	108	A105 V106 L107 I108 M134 L154 L156 I164 A337 V341	A105-I132 HydrophobicContact CB-CD1 3.72Å; A105-I132 HydrophobicContact CB-CG1 4.04Å; V106-I132 PolarHBondContact O-N 3.27Å; L107-I132 HydrophobicContact CD1-CB 3.9Å; L107-I132 HydrophobicContact CD1-CG2 3.79Å; I108-I132 PolarHBondContact N-O 2.8Å; I132-M134 PolarHBondContact O-N 3.2Å; I132-L154 WeakPolarHBondContact CA-O 3.23Å; I132-L154 HydrophobicContact CB-CB 4.49Å; I132-L154 HydrophobicContact CD1-CD1 4.31Å; I132-L154 HydrophobicContact CG1-CB 4.18Å; I132-L154 HydrophobicContact CG1-CD1 4.15Å; I132-L154 HydrophobicContact CG2-CB 4.24Å; I132-L156 HydrophobicContact CG2-CB 3.87Å; I132-L156 HydrophobicContact CG2-CD1 4.49Å; I132-I164 HydrophobicContact CD1-CD1 4.31Å; I132-I164 HydrophobicContact CG2-CD1 4.1Å; I132-A337 HydrophobicContact CD1-CB 3.8Å; I132-V341 HydrophobicContact CD1-CG2 3.9Å
133	W	98	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.5	171.7	-174.2	74.2	0	0	0	109.4	H110 N135 T142 F152 L154 T155 L156 T157 L353 W356 F357 W358	H110-W133 HydrophobicContact CB-CZ2 3.87Å; H110-W133 AromaticContact CG-CE2 3.92Å; H110-W133 AromaticContact CG-CZ2 3.78Å; H110-W133 AromaticContact CG-NE1 3.53Å; H110-W133 AromaticContact ND1-CE2 3.83Å; H110-W133 AromaticContact ND1-CZ2 3.85Å; H110-W133 AromaticContact ND1-NE1 3.18Å; H110-W133 PolarHBondContact ND1-NE1 3.45Å; H110-W133 VanDerWaalsContact ND1-NE1 3.18Å; W133-N135 HydrophobicContact CD2-CB 4.39Å; W133-N135 HydrophobicContact CE3-CB 4.23Å; W133-N135 HydrophobicContact CH2-CB 3.35Å; W133-N135 HydrophobicContact CZ2-CB 3.49Å; W133-N135 VanDerWaalsContact CZ2-CB 3.49Å; W133-N135 HydrophobicContact CZ3-CB 3.75Å; W133-T142 HydrophobicContact CZ2-CG2 4.44Å; W133-F152 HydrophobicContact CB-CB 3.99Å; W133-F152 HydrophobicContact CB-CD1 3.57Å; W133-F152 HydrophobicContact CB-CD2 3.93Å; W133-F152 HydrophobicContact CB-CE1 3.96Å; W133-F152 HydrophobicContact CB-CE2 4.27Å; W133-F152 HydrophobicContact CB-CG 3.56Å; W133-F152 HydrophobicContact CB-CZ 4.31Å; W133-F152 AromaticContact CD1-CD2 3.87Å; W133-F152 AromaticContact CD1-CE1 3.96Å; W133-F152 AromaticContact CD1-CE2 3.43Å; W133-F152 VanDerWaalsContact CD1-CE2 3.43Å; W133-F152 AromaticContact CD1-CZ 3.51Å; W133-F152 HydrophobicContact CG-CD1 4.39Å; W133-F152 HydrophobicContact CG-CD2 4.16Å; W133-F152 HydrophobicContact CG-CE1 4.4Å; W133-F152 HydrophobicContact CG-CE2 4.15Å; W133-F152 HydrophobicContact CG-CG 4.27Å; W133-F152 HydrophobicContact CG-CZ 4.31Å; W133-L154 PolarHBondContact N-O 2.96Å; W133-T155 HydrophobicContact CE3-CG2 4.48Å; W133-T155 CarbonylContact O-C 3.34Å; W133-T155 WeakPolarHBondContact O-CA 3.41Å; W133-L156 PolarHBondContact O-N 3.07Å; W133-T157 HydrophobicContact CE3-CG2 3.93Å; W133-T157 HydrophobicContact CZ3-CG2 3.49Å; W133-T157 VanDerWaalsContact CZ3-CG2 3.49Å; W133-L353 HydrophobicContact CD2-CD1 3.78Å; W133-L353 HydrophobicContact CD2-CD2 3.87Å; W133-L353 HydrophobicContact CD2-CG 4.39Å; W133-L353 HydrophobicContact CE3-CD1 3.75Å; W133-L353 HydrophobicContact CG-CD1 4.13Å; W133-L353 HydrophobicContact CG-CD2 3.76Å; W133-L353 HydrophobicContact CZ2-CD2 4.45Å; W133-L353 HydrophobicContact CZ3-CD1 4.18Å; W133-W356 HydrophobicContact CE3-CZ3 4.23Å; W133-W356 AromaticContact CZ3-CZ3 3.87Å; W133-W356 HydrophobicContact CZ3-CZ3 3.87Å; W133-F357 HydrophobicContact CH2-CB 4.32Å; W133-F357 AromaticContact CH2-CD1 3.61Å; W133-F357 HydrophobicContact CH2-CD1 3.61Å; W133-F357 AromaticContact CH2-CD2 3.74Å; W133-F357 HydrophobicContact CH2-CD2 3.74Å; W133-F357 AromaticContact CH2-CE1 3.77Å; W133-F357 HydrophobicContact CH2-CE1 3.77Å; W133-F357 AromaticContact CH2-CE2 3.89Å; W133-F357 HydrophobicContact CH2-CE2 3.89Å; W133-F357 AromaticContact CH2-CG 3.6Å; W133-F357 HydrophobicContact CH2-CG 3.6Å; W133-F357 AromaticContact CH2-CZ 3.91Å; W133-F357 HydrophobicContact CH2-CZ 3.91Å; W133-F357 HydrophobicContact CZ2-CD1 4.34Å; W133-F357 HydrophobicContact CZ3-CD1 4.48Å; W133-F357 AromaticContact CZ3-CD2 3.83Å; W133-F357 HydrophobicContact CZ3-CD2 3.83Å; W133-F357 HydrophobicContact CZ3-CE2 4.12Å; W133-F357 HydrophobicContact CZ3-CG 4.04Å; W133-W358 HydrophobicContact CZ2-CH2 4.22Å
134	M	98.1	Very high	96	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.1	177.9	180	171.6	73.8	0	0	111	P72 L107 I108 H109 H110 I132 L136 L156 W330 H333	P72-M134 HydrophobicContact CB-CE 4.38Å; P72-M134 HydrophobicContact CG-CE 3.42Å; P72-M134 VanDerWaalsContact CG-CE 3.42Å; L107-M134 HydrophobicContact CD1-CB 3.81Å; L107-M134 HydrophobicContact CD1-CG 4.47Å; L107-M134 HydrophobicContact CD1-SD 4Å; L107-M134 HydrophobicContact CD2-CE 4.13Å; L107-M134 HydrophobicContact CD2-SD 4.03Å; L107-M134 HydrophobicContact CG-CE 4.24Å; L107-M134 HydrophobicContact CG-SD 4.23Å; I108-M134 PolarHBondContact O-N 3.38Å; H109-M134 CarbonylContact C-O 3.53Å; H109-M134 WeakPolarHBondContact CA-O 3.35Å; H109-M134 HydrophobicContact CB-CE 3.86Å; H109-M134 PolarHBondContact CD2-O 3.32Å; H110-M134 PolarHBondContact N-O 2.96Å; I132-M134 PolarHBondContact O-N 3.2Å; M134-L136 HydrophobicContact CG-CD2 3.97Å; M134-L156 WeakPolarHBondContact CA-O 3.37Å; M134-L156 HydrophobicContact CB-CB 4.34Å; M134-L156 HydrophobicContact CG-CB 4.46Å; M134-L156 HydrophobicContact CG-CD2 4.09Å; M134-L156 HydrophobicContact SD-CD1 4.4Å; M134-L156 HydrophobicContact SD-CD2 4.36Å; M134-W330 HydrophobicContact CE-CE3 4.19Å; M134-W330 HydrophobicContact CE-CZ3 4.47Å; M134-W330 HydrophobicContact SD-CE3 4.37Å; M134-H333 HydrophobicContact SD-CB 3.66Å
135	N	97.1	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.			trans	-157.3	131	174.3	-171.4	51.8	0	0	0	111.2	H110 W133 E137 T142 L156 T157 F357	H110-N135 HydrophobicContact CB-CB 3.86Å; W133-N135 HydrophobicContact CD2-CB 4.39Å; W133-N135 HydrophobicContact CE3-CB 4.23Å; W133-N135 HydrophobicContact CH2-CB 3.35Å; W133-N135 HydrophobicContact CZ2-CB 3.49Å; W133-N135 VanDerWaalsContact CZ2-CB 3.49Å; W133-N135 HydrophobicContact CZ3-CB 3.75Å; N135-E137 PolarHBondContact ND2-O 3.03Å; N135-T142 VanDerWaalsContact ND2-CG2 3.33Å; N135-T142 WeakPolarHBondContact ND2-CG2 3.26Å; N135-T142 PolarHBondContact ND2-OG1 3.14Å; N135-L156 PolarHBondContact N-O 2.81Å; N135-T157 WeakPolarHBondContact O-CA 3.36Å; N135-T157 WeakPolarHBondContact O-CB 3.35Å; N135-T157 WeakPolarHBondContact O-CG2 3.25Å; N135-F357 WeakPolarHBondContact ND2-CZ 3.42Å
136	L	96.8	Very high	95.9	Very high	2 Å²	2	35 Å²	35	1%	0.01	20%	0.197	C	C	.	.			trans	-112.1	-11.5	-179.7	-73.8	-65.3	0	0	0	111.8	M134 Y158 V166 Y168 Y252 F329 W330	M134-L136 HydrophobicContact CG-CD2 3.97Å; L136-Y158 VanDerWaalsContact O-CD1 3.24Å; L136-Y158 WeakPolarHBondContact O-CD1 3.41Å; L136-Y158 WeakPolarHBondContact O-CE1 3.48Å; L136-V166 WeakPolarHBondContact CD1-O 3.4Å; L136-Y168 HydrophobicContact CB-CE2 4.3Å; L136-Y168 PolarHBondContact O-OH 3.4Å; L136-Y252 WeakPolarHBondContact O-CE2 3.42Å; L136-F329 HydrophobicContact CG-CE1 4.11Å; L136-W330 HydrophobicContact CD2-CZ3 3.85Å; L136-W330 HydrophobicContact CG-CZ3 4.21Å
137	E	97.1	Very high	95.8	Very high	45 Å²	45	36.1 Å²	36.1	21%	0.21	21%	0.211	C	C	.	.	S	Bend	trans	-70.2	150.6	172.5	-73.1	-62	156	0	0	111.6	R111 N135 H141 T142 F357	R111-E137 HydrophobicContact CG-CG 4.16Å; N135-E137 PolarHBondContact ND2-O 3.03Å; E137-H141 HydrophobicContact CB-CB 4.26Å; E137-H141 WeakPolarHBondContact OE2-CB 3.39Å; E137-H141 IonicContact OE2-CG 3.33Å; E137-T142 WeakPolarHBondContact CB-OG1 3.46Å; E137-T142 PolarHBondContact O-OG1 3.07Å; E137-F357 VanDerWaalsContact O-CZ 3.29Å; E137-F357 WeakPolarHBondContact O-CZ 3.14Å
138	S	97.2	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.			trans	-63.6	160.3	170.9	64.9	0	0	0	0	113.3	T140 H141 T142 S247	S138-T140 VanDerWaalsContact C-N 3.27Å; S138-T140 PolarHBondContact O-N 2.97Å; S138-H141 CarbonylContact O-C 3.43Å; S138-H141 PolarHBondContact O-N 2.84Å; S138-H141 PolarHBondContact OG-N 3.2Å; S138-H141 PolarHBondContact OG-ND1 3.04Å; S138-T142 VanDerWaalsContact O-CB 3.26Å; S138-T142 WeakPolarHBondContact O-CB 3.46Å; S138-T142 PolarHBondContact O-N 3.08Å; S138-T142 PolarHBondContact O-OG1 3.14Å; S138-S247 WeakPolarHBondContact CB-OG 3.37Å; S138-S247 PolarHBondContact OG-OG 3.48Å
139	P	96.9	Very high	95.7	Very high	13 Å²	13	26.8 Å²	26.8	8%	0.084	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-52.2	-40.5	170.7	-28.6	34.3	0	0	0	114.1	H141 T142 Y158 F357 W358	P139-H141 PolarHBondContact O-N 3.43Å; P139-T142 PolarHBondContact O-N 3.42Å; P139-T142 VanDerWaalsContact O-N 3.13Å; P139-Y158 WeakPolarHBondContact CD-OH 3.32Å; P139-F357 HydrophobicContact CB-CE1 4.21Å; P139-F357 HydrophobicContact CG-CD1 4.18Å; P139-F357 HydrophobicContact CG-CE1 3.84Å; P139-F357 HydrophobicContact CG-CE2 4.46Å; P139-F357 HydrophobicContact CG-CZ 3.97Å; P139-F357 WeakPolarHBondContact CG-O 3.44Å; P139-W358 HydrophobicContact CB-CG 4.33Å
140	T	95.4	Very high	95.6	Very high	91 Å²	91	32.4 Å²	32.4	56%	0.558	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-60.2	-32.9	176	-63.5	0	0	0	0	112.8	S138 H249	S138-T140 VanDerWaalsContact C-N 3.27Å; S138-T140 PolarHBondContact O-N 2.97Å; T140-H249 PolarHBondContact N-NE2 3.32Å; T140-H249 PolarHBondContact OG1-NE2 3.01Å
141	H	94.7	Very high	95.4	Very high	36 Å²	36	34.4 Å²	34.4	17%	0.167	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-100	10.3	-179.4	-63.6	83.4	0	0	0	112.8	R111 E137 S138 P139 P143 H200 N246	R111-H141 PolarHBondContact NH1-O 3.07Å; E137-H141 HydrophobicContact CB-CB 4.26Å; E137-H141 WeakPolarHBondContact OE2-CB 3.39Å; E137-H141 IonicContact OE2-CG 3.33Å; S138-H141 CarbonylContact O-C 3.43Å; S138-H141 PolarHBondContact O-N 2.84Å; S138-H141 PolarHBondContact OG-N 3.2Å; S138-H141 PolarHBondContact OG-ND1 3.04Å; P139-H141 PolarHBondContact O-N 3.43Å; H141-P143 WeakPolarHBondContact O-CD 3.49Å; H141-H200 AromaticContact CE1-CE1 3.83Å; H141-H200 AromaticContact NE2-CE1 3.49Å; H141-H200 PolarHBondContact NE2-CE1 3.01Å; H141-N246 PolarHBondContact CE1-O 3.21Å
142	T	96.1	Very high	95.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.192	C	C	.	.	S	Bend	trans	-123.1	89.6	-177.2	-56.8	0	0	0	0	108.3	H110 W133 N135 E137 S138 P139 Q144 F357 W358	H110-T142 WeakPolarHBondContact CD2-CG2 3.44Å; H110-T142 VanDerWaalsContact NE2-CG2 3.26Å; H110-T142 WeakPolarHBondContact NE2-CG2 3.37Å; W133-T142 HydrophobicContact CZ2-CG2 4.44Å; N135-T142 VanDerWaalsContact ND2-CG2 3.33Å; N135-T142 WeakPolarHBondContact ND2-CG2 3.26Å; N135-T142 PolarHBondContact ND2-OG1 3.14Å; E137-T142 WeakPolarHBondContact CB-OG1 3.46Å; E137-T142 PolarHBondContact O-OG1 3.07Å; S138-T142 VanDerWaalsContact O-CB 3.26Å; S138-T142 WeakPolarHBondContact O-CB 3.46Å; S138-T142 PolarHBondContact O-N 3.08Å; S138-T142 PolarHBondContact O-OG1 3.14Å; P139-T142 PolarHBondContact O-N 3.42Å; P139-T142 VanDerWaalsContact O-N 3.13Å; T142-Q144 PolarHBondContact O-N 2.64Å; T142-F357 HydrophobicContact CG2-CE1 3.88Å; T142-W358 HydrophobicContact CG2-CH2 4.34Å; T142-W358 HydrophobicContact CG2-CZ2 3.59Å; T142-W358 PolarHBondContact O-NE1 2.99Å
143	P	94.1	Very high	95.4	Very high	58 Å²	58	34 Å²	34	38%	0.377	19%	0.193	S	C	.	.			trans	-59.5	131.5	177	-24	34.3	0	0	0	111.5	H110 W115 H141	H110-P143 PolarHBondContact NE2-O 3.08Å; H110-P143 VanDerWaalsContact NE2-O 3.11Å; W115-P143 HydrophobicContact CH2-CB 3.76Å; W115-P143 HydrophobicContact CZ2-CB 4.19Å; H141-P143 WeakPolarHBondContact O-CD 3.49Å
144	Q	92.8	Very high	95.4	Very high	89 Å²	89	34 Å²	34	42%	0.416	19%	0.193	S	C	.	.			trans	-61.9	139.2	174.5	-69.9	174.2	-9.5	0	0	110.3	W115 T142 W358	W115-Q144 WeakPolarHBondContact CZ3-O 3.47Å; T142-Q144 PolarHBondContact O-N 2.64Å; Q144-W358 HydrophobicContact CB-CZ2 4.39Å; Q144-W358 HydrophobicContact CG-CD2 3.61Å; Q144-W358 HydrophobicContact CG-CE3 4.27Å; Q144-W358 HydrophobicContact CG-CG 3.86Å; Q144-W358 HydrophobicContact CG-CH2 4.36Å; Q144-W358 HydrophobicContact CG-CZ2 3.74Å; Q144-W358 VanDerWaalsContact NE2-CB 3.25Å
145	K	93.2	Very high	95.4	Very high	14 Å²	14	34 Å²	34	6%	0.061	19%	0.194	C	C	.	.			trans	-120.6	114.5	177.5	-65.4	176.3	-174.7	-75.2	0	107.9	I113 W115 I148	I113-K145 HydrophobicContact CB-CD 3.77Å; I113-K145 HydrophobicContact CG2-CD 3.82Å; I113-K145 WeakPolarHBondContact O-CE 3.34Å; I113-K145 PolarHBondContact O-NZ 3.29Å; W115-K145 HydrophobicContact CE3-CG 4.16Å; W115-K145 HydrophobicContact CZ3-CG 4.1Å; K145-I148 HydrophobicContact CB-CD1 4.18Å; K145-I148 HydrophobicContact CB-CG2 4.41Å; K145-I148 WeakPolarHBondContact O-CG1 3.27Å
146	S	92.6	Very high	95.5	Very high	97 Å²	97	34 Å²	34	68%	0.678	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	145.2	179.8	-53.6	0	0	0	0	111.7	E149	S146-E149 WeakPolarHBondContact CA-OE1 3.44Å
147	G	92.8	Very high	95.5	Very high	38 Å²	38	34 Å²	34	39%	0.392	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	0.2	176.4	0	0	0	0	0	115.2	E149 L151	G147-E149 WeakPolarHBondContact CA-OE2 3.37Å; G147-E149 VanDerWaalsContact N-CD 3.3Å; G147-E149 PolarHBondContact N-OE1 3.2Å; G147-E149 PolarHBondContact N-OE2 3.06Å; G147-L151 WeakPolarHBondContact O-CD1 3.44Å
148	I	93.8	Very high	95.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.184	C	C	.	.			trans	-102	-3.7	178.2	82.3	177.4	0	0	0	114.3	I113 L117 K145 H150 L151 F152 L353	I113-I148 HydrophobicContact CD1-CD1 4.45Å; L117-I148 HydrophobicContact CD1-CG2 4.2Å; L117-I148 HydrophobicContact CD2-CG2 3.5Å; K145-I148 HydrophobicContact CB-CD1 4.18Å; K145-I148 HydrophobicContact CB-CG2 4.41Å; K145-I148 WeakPolarHBondContact O-CG1 3.27Å; I148-H150 PolarHBondContact O-N 2.92Å; I148-L151 HydrophobicContact CB-CD1 4.19Å; I148-L151 HydrophobicContact CG2-CD1 4.23Å; I148-L151 PolarHBondContact O-N 2.8Å; I148-F152 HydrophobicContact CB-CE2 3.94Å; I148-F152 HydrophobicContact CD1-CE2 4.22Å; I148-F152 HydrophobicContact CG1-CE2 4.25Å; I148-L353 HydrophobicContact CD1-CD2 4.2Å; I148-L353 HydrophobicContact CG1-CD2 4.3Å
149	E	92.9	Very high	95.6	Very high	42 Å²	42	33.2 Å²	33.2	20%	0.196	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30	-164.9	-54	83.4	177.1	0	0	112.8	S146 G147 L353 E354	S146-E149 WeakPolarHBondContact CA-OE1 3.44Å; G147-E149 WeakPolarHBondContact CA-OE2 3.37Å; G147-E149 VanDerWaalsContact N-CD 3.3Å; G147-E149 PolarHBondContact N-OE1 3.2Å; G147-E149 PolarHBondContact N-OE2 3.06Å; E149-L353 PolarHBondContact O-N 3.1Å; E149-L353 VanDerWaalsContact O-N 3.09Å; E149-E354 HydrophobicContact CB-CG 4.48Å; E149-E354 HydrophobicContact CG-CG 3.77Å
150	H	93.8	Very high	95.5	Very high	121 Å²	121	37.6 Å²	37.6	56%	0.56	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.5	11.8	-174.3	-55.7	-56.4	0	0	0	113.7	I148 G351	I148-H150 PolarHBondContact O-N 2.92Å; H150-G351 PolarHBondContact CE1-O 3.46Å; H150-G351 PolarHBondContact ND1-O 2.99Å
151	L	94.5	Very high	95.6	Very high	56 Å²	56	36.4 Å²	36.4	29%	0.293	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-28.6	-175.9	-65.2	-176	0	0	0	113.3	L120 R125 W131 G147 I148	L120-L151 HydrophobicContact CD1-CD1 4Å; R125-L151 PolarHBondContact NH1-O 3.18Å; W131-L151 HydrophobicContact CE3-CB 4.2Å; W131-L151 HydrophobicContact CZ3-CB 4.22Å; W131-L151 HydrophobicContact CZ3-CD1 4.22Å; G147-L151 WeakPolarHBondContact O-CD1 3.44Å; I148-L151 HydrophobicContact CB-CD1 4.19Å; I148-L151 HydrophobicContact CG2-CD1 4.23Å; I148-L151 PolarHBondContact O-N 2.8Å
152	F	97	Very high	95.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	19%	0.19	C	C	.	.			trans	-95.7	148.8	-166.9	-60.3	-81.7	0	0	0	113.7	I108 I113 W131 W133 I148 V350 L353	I108-F152 HydrophobicContact CB-CE1 4.06Å; I108-F152 HydrophobicContact CD1-CE1 4.01Å; I108-F152 HydrophobicContact CG2-CE1 4.38Å; I113-F152 HydrophobicContact CD1-CZ 4.03Å; W131-F152 HydrophobicContact CB-CD1 3.99Å; W131-F152 HydrophobicContact CE3-CE1 4.45Å; W133-F152 HydrophobicContact CB-CB 3.99Å; W133-F152 HydrophobicContact CB-CD1 3.57Å; W133-F152 HydrophobicContact CB-CD2 3.93Å; W133-F152 HydrophobicContact CB-CE1 3.96Å; W133-F152 HydrophobicContact CB-CE2 4.27Å; W133-F152 HydrophobicContact CB-CG 3.56Å; W133-F152 HydrophobicContact CB-CZ 4.31Å; W133-F152 AromaticContact CD1-CD2 3.87Å; W133-F152 AromaticContact CD1-CE1 3.96Å; W133-F152 AromaticContact CD1-CE2 3.43Å; W133-F152 VanDerWaalsContact CD1-CE2 3.43Å; W133-F152 AromaticContact CD1-CZ 3.51Å; W133-F152 HydrophobicContact CG-CD1 4.39Å; W133-F152 HydrophobicContact CG-CD2 4.16Å; W133-F152 HydrophobicContact CG-CE1 4.4Å; W133-F152 HydrophobicContact CG-CE2 4.15Å; W133-F152 HydrophobicContact CG-CG 4.27Å; W133-F152 HydrophobicContact CG-CZ 4.31Å; I148-F152 HydrophobicContact CB-CE2 3.94Å; I148-F152 HydrophobicContact CD1-CE2 4.22Å; I148-F152 HydrophobicContact CG1-CE2 4.25Å; F152-V350 HydrophobicContact CB-CG2 4.23Å; F152-V350 WeakPolarHBondContact O-CB 3.45Å; F152-V350 PolarHBondContact O-N 3.27Å; F152-L353 HydrophobicContact CD2-CD2 3.77Å; F152-L353 HydrophobicContact CE2-CD2 4.01Å
153	N	97.9	Very high	95.8	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.027	20%	0.2	C	C	.	.	S	Bend	trans	-98.8	-34.5	176.1	-58.8	96.6	0	0	0	112.7	R125 K130 W131 K348	R125-N153 PolarHBondContact NH1-OD1 3.29Å; K130-N153 WeakPolarHBondContact CA-OD1 3.47Å; K130-N153 HydrophobicContact CB-CB 3.91Å; K130-N153 HydrophobicContact CG-CB 4.08Å; W131-N153 PolarHBondContact N-OD1 2.81Å; W131-N153 PolarHBondContact O-N 3Å; N153-K348 WeakPolarHBondContact CB-O 3.48Å; N153-K348 PolarHBondContact ND2-O 3.1Å
154	L	98.4	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.1	-177	-59.1	174.4	0	0	0	111	K130 W131 I132 W133 D163 I164 V341 K348	K130-L154 HydrophobicContact CB-CD1 4.28Å; K130-L154 HydrophobicContact CD-CD1 3.8Å; K130-L154 HydrophobicContact CD-CG 4.16Å; W131-L154 PolarHBondContact O-N 3.22Å; W131-L154 VanDerWaalsContact O-N 3.08Å; I132-L154 WeakPolarHBondContact CA-O 3.23Å; I132-L154 HydrophobicContact CB-CB 4.49Å; I132-L154 HydrophobicContact CD1-CD1 4.31Å; I132-L154 HydrophobicContact CG1-CB 4.18Å; I132-L154 HydrophobicContact CG1-CD1 4.15Å; I132-L154 HydrophobicContact CG2-CB 4.24Å; W133-L154 PolarHBondContact N-O 2.96Å; L154-D163 WeakPolarHBondContact CA-OD2 3.49Å; L154-D163 HydrophobicContact CB-CB 4.32Å; L154-D163 HydrophobicContact CD2-CB 4.02Å; L154-I164 HydrophobicContact CD1-CD1 4.41Å; L154-V341 HydrophobicContact CD1-CG2 4.02Å; L154-K348 HydrophobicContact CD2-CD 3.94Å
155	T	98.4	Very high	96.2	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.4	171.8	62	0	0	0	0	111.3	W133 S162 D163 I164 V350 L353 W356	W133-T155 HydrophobicContact CE3-CG2 4.48Å; W133-T155 CarbonylContact O-C 3.34Å; W133-T155 WeakPolarHBondContact O-CA 3.41Å; T155-S162 WeakPolarHBondContact OG1-CA 3.4Å; T155-S162 WeakPolarHBondContact OG1-CB 3.34Å; T155-D163 PolarHBondContact N-OD2 2.81Å; T155-D163 WeakPolarHBondContact O-CB 3.21Å; T155-D163 PolarHBondContact O-N 3.05Å; T155-D163 PolarHBondContact OG1-N 2.79Å; T155-D163 VanDerWaalsContact OG1-N 3.09Å; T155-D163 PolarHBondContact OG1-OD2 2.93Å; T155-I164 PolarHBondContact O-N 3.25Å; T155-V350 HydrophobicContact CG2-CG1 4.19Å; T155-V350 HydrophobicContact CG2-CG2 3.67Å; T155-L353 HydrophobicContact CG2-CD1 4.02Å; T155-W356 HydrophobicContact CG2-CE3 3.96Å; T155-W356 HydrophobicContact CG2-CH2 3.85Å; T155-W356 HydrophobicContact CG2-CZ3 3.52Å
156	L	98.6	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	107.7	174.3	-166.7	171.2	0	0	0	109.9	L107 I132 W133 M134 N135 I164 V166 H333 A337	L107-L156 HydrophobicContact CD1-CD1 4.18Å; I132-L156 HydrophobicContact CG2-CB 3.87Å; I132-L156 HydrophobicContact CG2-CD1 4.49Å; W133-L156 PolarHBondContact O-N 3.07Å; M134-L156 WeakPolarHBondContact CA-O 3.37Å; M134-L156 HydrophobicContact CB-CB 4.34Å; M134-L156 HydrophobicContact CG-CB 4.46Å; M134-L156 HydrophobicContact CG-CD2 4.09Å; M134-L156 HydrophobicContact SD-CD1 4.4Å; M134-L156 HydrophobicContact SD-CD2 4.36Å; N135-L156 PolarHBondContact N-O 2.81Å; L156-I164 VanDerWaalsContact CA-O 3.26Å; L156-I164 WeakPolarHBondContact CA-O 3.49Å; L156-I164 HydrophobicContact CB-CB 4.11Å; L156-I164 HydrophobicContact CB-CD1 4.44Å; L156-I164 HydrophobicContact CD1-CB 4.27Å; L156-I164 HydrophobicContact CD1-CD1 4.36Å; L156-I164 HydrophobicContact CD1-CG2 3.89Å; L156-I164 HydrophobicContact CG-CB 3.78Å; L156-I164 HydrophobicContact CG-CG2 3.7Å; L156-V166 HydrophobicContact CD2-CB 4.18Å; L156-V166 HydrophobicContact CD2-CG2 3.73Å; L156-V166 HydrophobicContact CG-CG2 4.38Å; L156-H333 HydrophobicContact CD1-CB 4.15Å; L156-H333 WeakPolarHBondContact CD1-O 3.4Å; L156-H333 HydrophobicContact CD2-CB 4.12Å; L156-H333 VanDerWaalsContact CD2-CD2 3.47Å; L156-H333 WeakPolarHBondContact CD2-CD2 3.27Å; L156-A337 HydrophobicContact CD1-CB 3.9Å
157	T	98.1	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-176.1	-175.7	79.9	0	0	0	0	112.1	W133 N135 R159 I164 Q165 V166 W356	W133-T157 HydrophobicContact CE3-CG2 3.93Å; W133-T157 HydrophobicContact CZ3-CG2 3.49Å; W133-T157 VanDerWaalsContact CZ3-CG2 3.49Å; N135-T157 WeakPolarHBondContact O-CA 3.36Å; N135-T157 WeakPolarHBondContact O-CB 3.35Å; N135-T157 WeakPolarHBondContact O-CG2 3.25Å; T157-R159 VanDerWaalsContact C-N 3.33Å; T157-R159 WeakPolarHBondContact OG1-CB 3.4Å; T157-R159 PolarHBondContact OG1-N 3.28Å; T157-I164 PolarHBondContact N-O 2.9Å; T157-Q165 WeakPolarHBondContact O-CA 3.46Å; T157-V166 PolarHBondContact O-N 3.35Å; T157-W356 HydrophobicContact CG2-CH2 3.89Å; T157-W356 HydrophobicContact CG2-CZ3 4.31Å
158	Y	97.6	Very high	96.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.008	14%	0.139	C	C	.	.	S	Bend	trans	-73.2	-19.9	170.5	59.4	-95.2	0	0	0	113.8	L136 P139 Q165 K250 D251 Y252	L136-Y158 VanDerWaalsContact O-CD1 3.24Å; L136-Y158 WeakPolarHBondContact O-CD1 3.41Å; L136-Y158 WeakPolarHBondContact O-CE1 3.48Å; P139-Y158 WeakPolarHBondContact CD-OH 3.32Å; Y158-Q165 PolarHBondContact O-NE2 2.94Å; Y158-K250 WeakPolarHBondContact CE2-O 3.24Å; Y158-D251 HydrophobicContact CD2-CB 4.15Å; Y158-D251 WeakPolarHBondContact CD2-O 3.02Å; Y158-D251 HydrophobicContact CE2-CB 4.4Å; Y158-Y252 AromaticContact CD1-CD2 3.86Å; Y158-Y252 HydrophobicContact CD1-CD2 3.86Å; Y158-Y252 HydrophobicContact CD1-CE2 4.29Å; Y158-Y252 HydrophobicContact CD2-CD2 4.17Å; Y158-Y252 AromaticContact CE1-CD2 3.47Å; Y158-Y252 HydrophobicContact CE1-CD2 3.47Å; Y158-Y252 VanDerWaalsContact CE1-CD2 3.47Å; Y158-Y252 AromaticContact CE1-CE2 3.97Å; Y158-Y252 HydrophobicContact CE1-CE2 3.97Å; Y158-Y252 AromaticContact CE2-CD2 3.78Å; Y158-Y252 HydrophobicContact CE2-CD2 3.78Å; Y158-Y252 HydrophobicContact CE2-CG 4.23Å; Y158-Y252 HydrophobicContact CG-CD2 4.21Å; Y158-Y252 AromaticContact CZ-CD2 3.42Å; Y158-Y252 VanDerWaalsContact CZ-CD2 3.42Å
159	R	97.2	Very high	97.1	Very high	27 Å²	27	29.4 Å²	29.4	10%	0.102	14%	0.139	C	C	.	.	S	Bend	trans	-69.2	140.6	-174.5	-68.9	178	55.8	154.4	-6.2	111.5	T157 D161 S162 Q165 D251 W356	T157-R159 VanDerWaalsContact C-N 3.33Å; T157-R159 WeakPolarHBondContact OG1-CB 3.4Å; T157-R159 PolarHBondContact OG1-N 3.28Å; R159-D161 WeakPolarHBondContact CB-OD1 3.47Å; R159-D161 IonicContact CZ-OD1 3.6Å; R159-D161 IonicContact CZ-OD2 3.94Å; R159-D161 IonicContact NE-OD1 2.81Å; R159-D161 PolarHBondContact NE-OD1 1.99Å; R159-D161 IonicContact NE-OD2 3.64Å; R159-D161 IonicContact NH2-OD1 2.77Å; R159-D161 PolarHBondContact NH2-OD1 3.13Å; R159-D161 IonicContact NH2-OD2 3.68Å; R159-D161 PolarHBondContact NH2-OD2 3.09Å; R159-D161 PolarHBondContact O-N 2.92Å; R159-S162 WeakPolarHBondContact O-CB 3.43Å; R159-S162 PolarHBondContact O-N 3.2Å; R159-S162 PolarHBondContact O-OG 3.26Å; R159-Q165 WeakPolarHBondContact O-CG 3.42Å; R159-D251 HydrophobicContact CB-CB 4.45Å; R159-D251 HydrophobicContact CG-CB 4.32Å; R159-W356 PolarHBondContact NH1-O 3.29Å; R159-W356 PolarHBondContact NH2-O 3.39Å
160	R	96.4	Very high	97.3	Very high	106 Å²	106	31.4 Å²	31.4	40%	0.4	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.2	178.4	-76.4	176.7	-173.4	-135.2	-10.5	113.9	S162 Q165 D251 N279 Y280	R160-S162 VanDerWaalsContact C-N 3.29Å; R160-Q165 VanDerWaalsContact CG-NE2 3.31Å; R160-D251 PolarHBondContact N-OD2 2.85Å; R160-N279 VanDerWaalsContact CZ-O 3.32Å; R160-N279 PolarHBondContact NH1-O 3.25Å; R160-N279 PolarHBondContact NH2-O 2.88Å; R160-Y280 WeakPolarHBondContact CG-OH 3.19Å; R160-Y280 PolarHBondContact NE-OH 2.85Å; R160-Y280 VanDerWaalsContact NH2-CD1 3.28Å; R160-Y280 VanDerWaalsContact NH2-CE2 3.34Å
161	D	96.1	Very high	97.4	Very high	66 Å²	66	27.1 Å²	27.1	35%	0.353	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	12.7	-179.8	59.1	11.6	0	0	0	113.2	R159 K250 W356	R159-D161 WeakPolarHBondContact CB-OD1 3.47Å; R159-D161 IonicContact CZ-OD1 3.6Å; R159-D161 IonicContact CZ-OD2 3.94Å; R159-D161 IonicContact NE-OD1 2.81Å; R159-D161 PolarHBondContact NE-OD1 1.99Å; R159-D161 IonicContact NE-OD2 3.64Å; R159-D161 IonicContact NH2-OD1 2.77Å; R159-D161 PolarHBondContact NH2-OD1 3.13Å; R159-D161 IonicContact NH2-OD2 3.68Å; R159-D161 PolarHBondContact NH2-OD2 3.09Å; R159-D161 PolarHBondContact O-N 2.92Å; D161-K250 IonicContact OD2-NZ 2.65Å; D161-K250 PolarHBondContact OD2-NZ 3.09Å; D161-K250 VanDerWaalsContact OD2-NZ 3.15Å; D161-W356 PolarHBondContact OD1-NE1 2.74Å
162	S	97.9	Very high	97.4	Very high	12 Å²	12	26.8 Å²	26.8	8%	0.084	13%	0.129	C	C	.	.	S	Bend	trans	-81.3	151.1	167.8	66.7	0	0	0	0	111.4	T155 R159 R160 I164 Q165	T155-S162 WeakPolarHBondContact OG1-CA 3.4Å; T155-S162 WeakPolarHBondContact OG1-CB 3.34Å; R159-S162 WeakPolarHBondContact O-CB 3.43Å; R159-S162 PolarHBondContact O-N 3.2Å; R159-S162 PolarHBondContact O-OG 3.26Å; R160-S162 VanDerWaalsContact C-N 3.29Å; S162-I164 PolarHBondContact O-N 3.37Å; S162-I164 PolarHBondContact OG-O 3.36Å; S162-Q165 WeakPolarHBondContact OG-CA 3.27Å; S162-Q165 PolarHBondContact OG-N 2.79Å
163	D	98	Very high	97.3	Very high	39 Å²	39	31.9 Å²	31.9	21%	0.209	16%	0.16	C	C	.	.	S	Bend	trans	-58.8	-35.9	176.4	-58.8	-54.5	0	0	0	113.3	L154 T155 H340 K348	L154-D163 WeakPolarHBondContact CA-OD2 3.49Å; L154-D163 HydrophobicContact CB-CB 4.32Å; L154-D163 HydrophobicContact CD2-CB 4.02Å; T155-D163 PolarHBondContact N-OD2 2.81Å; T155-D163 WeakPolarHBondContact O-CB 3.21Å; T155-D163 PolarHBondContact O-N 3.05Å; T155-D163 PolarHBondContact OG1-N 2.79Å; T155-D163 VanDerWaalsContact OG1-N 3.09Å; T155-D163 PolarHBondContact OG1-OD2 2.93Å; D163-H340 PolarHBondContact O-CE1 3.15Å; D163-H340 PolarHBondContact O-ND1 2.91Å; D163-H340 VanDerWaalsContact O-ND1 3.07Å; D163-K348 WeakPolarHBondContact OD1-CE 3.44Å; D163-K348 IonicContact OD1-NZ 3.22Å; D163-K348 PolarHBondContact OD1-NZ 2.96Å
164	I	98.4	Very high	96.8	Very high	9 Å²	9	33 Å²	33	5%	0.046	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	97.3	179	-55.7	151.7	0	0	0	107.6	I132 L154 T155 L156 T157 S162 V166 L336 A337 H340	I132-I164 HydrophobicContact CD1-CD1 4.31Å; I132-I164 HydrophobicContact CG2-CD1 4.1Å; L154-I164 HydrophobicContact CD1-CD1 4.41Å; T155-I164 PolarHBondContact O-N 3.25Å; L156-I164 VanDerWaalsContact CA-O 3.26Å; L156-I164 WeakPolarHBondContact CA-O 3.49Å; L156-I164 HydrophobicContact CB-CB 4.11Å; L156-I164 HydrophobicContact CB-CD1 4.44Å; L156-I164 HydrophobicContact CD1-CB 4.27Å; L156-I164 HydrophobicContact CD1-CD1 4.36Å; L156-I164 HydrophobicContact CD1-CG2 3.89Å; L156-I164 HydrophobicContact CG-CB 3.78Å; L156-I164 HydrophobicContact CG-CG2 3.7Å; T157-I164 PolarHBondContact N-O 2.9Å; S162-I164 PolarHBondContact O-N 3.37Å; S162-I164 PolarHBondContact OG-O 3.36Å; I164-V166 HydrophobicContact CG2-CG2 4.39Å; I164-L336 HydrophobicContact CG2-CB 4.02Å; I164-A337 HydrophobicContact CD1-CB 4.17Å; I164-H340 HydrophobicContact CD1-CB 3.95Å; I164-H340 HydrophobicContact CG1-CB 3.58Å; I164-H340 VanDerWaalsContact CG1-CG 3.46Å
165	Q	97.6	Very high	96.1	Very high	70 Å²	70	39 Å²	39	33%	0.327	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.9	178	-171	-175.2	17.1	0	0	111.3	T157 Y158 R159 R160 S162 Y280	T157-Q165 WeakPolarHBondContact O-CA 3.46Å; Y158-Q165 PolarHBondContact O-NE2 2.94Å; R159-Q165 WeakPolarHBondContact O-CG 3.42Å; R160-Q165 VanDerWaalsContact CG-NE2 3.31Å; S162-Q165 WeakPolarHBondContact OG-CA 3.27Å; S162-Q165 PolarHBondContact OG-N 2.79Å; Q165-Y280 PolarHBondContact NE2-OH 3.31Å
166	V	97.7	Very high	95.3	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	23%	0.234	C	C	.	.			trans	-131.5	94.8	168.2	-170.7	0	0	0	0	108.4	L136 L156 T157 I164 P327 L336	L136-V166 WeakPolarHBondContact CD1-O 3.4Å; L156-V166 HydrophobicContact CD2-CB 4.18Å; L156-V166 HydrophobicContact CD2-CG2 3.73Å; L156-V166 HydrophobicContact CG-CG2 4.38Å; T157-V166 PolarHBondContact O-N 3.35Å; I164-V166 HydrophobicContact CG2-CG2 4.39Å; V166-P327 HydrophobicContact CG1-CB 4.11Å; V166-P327 HydrophobicContact CG1-CG 4.13Å; V166-L336 HydrophobicContact CG2-CD1 3.77Å
167	P	96.9	Very high	93.9	Very high	23 Å²	23	50.5 Å²	50.5	15%	0.149	27%	0.274	C	S	.	.			trans	-75.9	163.8	179	34.1	-35.2	0	0	0	110.9	G169 F170 P327	P167-G169 WeakPolarHBondContact CG-O 3.33Å; P167-G169 PolarHBondContact O-N 2.79Å; P167-F170 HydrophobicContact CG-CD1 4.22Å; P167-P327 WeakPolarHBondContact O-CG 3.41Å
168	Y	97.8	Very high	93	Very high	30 Å²	30	57.4 Å²	57.4	12%	0.118	30%	0.304	C	S	.	.	S	Bend	trans	-67.5	-15.8	177.3	-78.1	-94.2	0	0	0	114.5	L136 Y252 T254 L326 P327 F329	L136-Y168 HydrophobicContact CB-CE2 4.3Å; L136-Y168 PolarHBondContact O-OH 3.4Å; Y168-Y252 HydrophobicContact CE2-CE2 4.27Å; Y168-T254 HydrophobicContact CD2-CG2 4.08Å; Y168-T254 HydrophobicContact CE2-CG2 4.02Å; Y168-T254 HydrophobicContact CG-CG2 4.47Å; Y168-L326 WeakPolarHBondContact O-CD2 3.15Å; Y168-P327 VanDerWaalsContact O-CD 3.23Å; Y168-P327 WeakPolarHBondContact O-CD 3.12Å; Y168-F329 HydrophobicContact CD1-CE1 4.4Å; Y168-F329 AromaticContact CD1-CZ 3.84Å; Y168-F329 HydrophobicContact CD1-CZ 3.84Å; Y168-F329 HydrophobicContact CE1-CE1 4.15Å; Y168-F329 HydrophobicContact CE1-CZ 4.05Å; Y168-F329 HydrophobicContact CG-CZ 4.32Å
169	G	97.7	Very high	92.2	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.338	C	S	.	.			trans	-174.6	171.5	175.1	0	0	0	0	0	109.9	P167 Y258 N325	P167-G169 WeakPolarHBondContact CG-O 3.33Å; P167-G169 PolarHBondContact O-N 2.79Å; G169-Y258 VanDerWaalsContact C-CE1 3.49Å; G169-Y258 VanDerWaalsContact C-CE2 3.49Å; G169-Y258 PolarHBondContact O-OH 2.91Å; G169-N325 CarbonylContact C-O 3.58Å; G169-N325 WeakPolarHBondContact CA-O 3.39Å
170	F	97.3	Very high	91.7	Very high	85 Å²	85	64.1 Å²	64.1	37%	0.373	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	158.4	177.4	52.7	-83.2	0	0	0	111	P167 T172 N325	P167-F170 HydrophobicContact CG-CD1 4.22Å; F170-T172 HydrophobicContact CD2-CG2 3.64Å; F170-T172 HydrophobicContact CE2-CG2 3.48Å; F170-T172 VanDerWaalsContact CE2-CG2 3.48Å; F170-N325 HydrophobicContact CD2-CB 4.1Å; F170-N325 HydrophobicContact CE1-CB 4.1Å; F170-N325 HydrophobicContact CE2-CB 3.63Å; F170-N325 HydrophobicContact CZ-CB 3.62Å; F170-N325 PolarHBondContact N-O 2.88Å; F170-N325 PolarHBondContact O-N 3.4Å
171	L	96.7	Very high	91.5	Very high	30 Å²	30	66.7 Å²	66.7	16%	0.157	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.8	171.3	-63.4	-174.6	0	0	0	110.1	F261 I281 P282 W318 F322 T323 V324	L171-F261 HydrophobicContact CD1-CE2 4.31Å; L171-F261 HydrophobicContact CD2-CD2 4.1Å; L171-F261 HydrophobicContact CD2-CE2 4.17Å; L171-I281 HydrophobicContact CD1-CB 4.25Å; L171-I281 HydrophobicContact CD1-CG2 3.93Å; L171-I281 HydrophobicContact CG-CG2 4.22Å; L171-P282 HydrophobicContact CD1-CG 4.49Å; L171-W318 HydrophobicContact CD1-CE3 4.27Å; L171-W318 HydrophobicContact CD2-CE3 4.25Å; L171-W318 HydrophobicContact CD2-CH2 4.36Å; L171-W318 HydrophobicContact CD2-CZ3 3.77Å; L171-F322 HydrophobicContact CB-CB 4.09Å; L171-F322 HydrophobicContact CB-CD1 4.36Å; L171-F322 HydrophobicContact CB-CG 4.35Å; L171-F322 HydrophobicContact CD1-CB 4.34Å; L171-T323 CarbonylContact C-O 3.52Å; L171-T323 WeakPolarHBondContact CA-O 3.34Å; L171-V324 HydrophobicContact CD2-CB 4.49Å; L171-V324 HydrophobicContact CD2-CG2 3.78Å
172	T	94.7	Very high	91.3	Very high	49 Å²	49	65.4 Å²	65.4	30%	0.301	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.3	170.5	57.2	0	0	0	0	110.5	F170 S174 F322 T323 N325	F170-T172 HydrophobicContact CD2-CG2 3.64Å; F170-T172 HydrophobicContact CE2-CG2 3.48Å; F170-T172 VanDerWaalsContact CE2-CG2 3.48Å; T172-S174 PolarHBondContact O-N 2.86Å; T172-F322 CarbonylContact O-C 3.56Å; T172-F322 WeakPolarHBondContact O-CA 3.36Å; T172-T323 PolarHBondContact N-O 2.96Å; T172-T323 PolarHBondContact O-N 3.15Å; T172-T323 PolarHBondContact OG1-OG1 3.48Å; T172-N325 WeakPolarHBondContact CG2-ND2 3.45Å; T172-N325 PolarHBondContact OG1-ND2 3.29Å
173	V	94.3	Very high	91.1	Very high	109 Å²	109	67.2 Å²	67.2	66%	0.661	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	127.5	174	179	0	0	0	0	109.8	T175 D321 F322	V173-T175 PolarHBondContact O-N 2.93Å; V173-D321 CarbonylContact C-O 3.36Å; V173-D321 WeakPolarHBondContact CA-O 3.42Å; V173-F322 HydrophobicContact CG2-CD1 4.35Å; V173-F322 HydrophobicContact CG2-CE1 4.03Å
174	S	87.6	Confident	90.9	Very high	30 Å²	30	70.8 Å²	70.8	21%	0.21	39%	0.394	C	S	.	.			trans	-72	127.4	175	-167.2	0	0	0	0	109.6	T172 N176 D321	T172-S174 PolarHBondContact O-N 2.86Å; S174-N176 PolarHBondContact OG-N 2.82Å; S174-N176 PolarHBondContact OG-O 3.22Å; S174-D321 PolarHBondContact N-O 3.08Å
175	T	84.1	Confident	90.8	Very high	126 Å²	126	72.5 Å²	72.5	77%	0.773	40%	0.401	S	S	*	.	S	Bend	trans	-84.7	-16.2	173.5	52.6	0	0	0	0	112.5	V173	V173-T175 PolarHBondContact O-N 2.93Å
176	N	80.9	Confident	90.7	Very high	116 Å²	116	76.5 Å²	76.5	62%	0.62	42%	0.42	S	S	*	.	S	Bend	trans	-122.5	124	-178.4	-66.4	-41.9	0	0	0	110	S174 F178	S174-N176 PolarHBondContact OG-N 2.82Å; S174-N176 PolarHBondContact OG-O 3.22Å; N176-F178 PolarHBondContact O-N 3.37Å
177	P	69.8	Low	90.8	Very high	129 Å²	129	78.4 Å²	78.4	84%	0.838	43%	0.428	S	S	*	.			trans	-65.6	111.1	171.8	24.1	-29.1	0	0	0	109.1
178	F	77.9	Confident	90.8	Very high	145 Å²	145	79.1 Å²	79.1	64%	0.636	43%	0.43	S	S	*	.			trans	-111.2	128.7	172.7	177.7	-102.9	0	0	0	108.9	N176 F180	N176-F178 PolarHBondContact O-N 3.37Å; F178-F180 HydrophobicContact CD1-CB 4.43Å; F178-F180 HydrophobicContact CE1-CB 4.45Å; F178-F180 HydrophobicContact CE1-CD2 4.45Å; F178-F180 PolarHBondContact O-N 2.82Å
179	V	81	Confident	90.9	Very high	118 Å²	118	77.7 Å²	77.7	72%	0.715	43%	0.425	S	S	*	.			trans	-76.7	107	171.7	-179.8	0	0	0	0	107.4	E181	V179-E181 PolarHBondContact O-N 2.99Å
180	F	87.5	Confident	90.9	Very high	51 Å²	51	77.7 Å²	77.7	22%	0.224	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-76.6	119.7	175	178.4	-107.6	0	0	0	111	F178 V182 F316 R319	F178-F180 HydrophobicContact CD1-CB 4.43Å; F178-F180 HydrophobicContact CE1-CB 4.45Å; F178-F180 HydrophobicContact CE1-CD2 4.45Å; F178-F180 PolarHBondContact O-N 2.82Å; F180-V182 HydrophobicContact CD1-CG2 4.21Å; F180-V182 HydrophobicContact CE1-CB 4.39Å; F180-V182 HydrophobicContact CE1-CG2 3.79Å; F180-F316 HydrophobicContact CD1-CB 4.24Å; F180-F316 HydrophobicContact CE1-CB 4.31Å; F180-F316 AromaticContact CE1-CD1 3.87Å; F180-F316 HydrophobicContact CE1-CD1 3.87Å; F180-F316 HydrophobicContact CE1-CE1 4.44Å; F180-F316 HydrophobicContact CE1-CG 4.1Å; F180-R319 HydrophobicContact CB-CB 4.08Å; F180-R319 HydrophobicContact CD1-CG 4.47Å; F180-R319 HydrophobicContact CG-CB 4.37Å; F180-R319 HydrophobicContact CG-CG 4.48Å
181	E	91	Very high	91	Very high	160 Å²	160	73.8 Å²	73.8	75%	0.748	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-95.9	123.5	169.3	-65.3	-176.4	178.9	0	0	109.5	V179 P183	V179-E181 PolarHBondContact O-N 2.99Å; E181-P183 WeakPolarHBondContact O-CD 3.38Å
182	V	92.8	Very high	91.1	Very high	39 Å²	39	73.2 Å²	73.2	24%	0.236	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-68.2	125.9	176.8	-177	0	0	0	0	108.5	F180 Y312 L313 F316	F180-V182 HydrophobicContact CD1-CG2 4.21Å; F180-V182 HydrophobicContact CE1-CB 4.39Å; F180-V182 HydrophobicContact CE1-CG2 3.79Å; V182-Y312 HydrophobicContact CG1-CE1 4.01Å; V182-L313 HydrophobicContact CB-CD2 4.4Å; V182-L313 HydrophobicContact CG2-CD2 3.6Å; V182-F316 HydrophobicContact CG1-CE2 4.27Å; V182-F316 HydrophobicContact CG1-CZ 4.43Å; V182-F316 HydrophobicContact CG2-CD2 3.74Å; V182-F316 HydrophobicContact CG2-CE2 3.98Å; V182-F316 HydrophobicContact CG2-CG 4.18Å
183	P	92.8	Very high	91.2	Very high	50 Å²	50	71 Å²	71	33%	0.325	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-58.2	151.1	176	-23.3	33	0	0	0	111.9	E181 K185	E181-P183 WeakPolarHBondContact O-CD 3.38Å; P183-K185 WeakPolarHBondContact O-CD 3.44Å; P183-K185 WeakPolarHBondContact O-CE 3.44Å; P183-K185 WeakPolarHBondContact O-CG 3.35Å; P183-K185 PolarHBondContact O-N 3.11Å
184	S	94	Very high	91.2	Very high	115 Å²	115	69.1 Å²	69.1	80%	0.804	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-54.5	134.9	170.9	-63.1	0	0	0	0	111
185	K	97.2	Very high	91.3	Very high	45 Å²	45	71.7 Å²	71.7	20%	0.196	40%	0.395	C	S	.	.			trans	-111.6	132.2	-177.6	-53.5	-56.7	-168.9	166.1	0	110	P183 S236 C238 K239 G264 S265 Y312	P183-K185 WeakPolarHBondContact O-CD 3.44Å; P183-K185 WeakPolarHBondContact O-CE 3.44Å; P183-K185 WeakPolarHBondContact O-CG 3.35Å; P183-K185 PolarHBondContact O-N 3.11Å; K185-S236 WeakPolarHBondContact CD-O 3.28Å; K185-S236 PolarHBondContact NZ-O 3.06Å; K185-C238 WeakPolarHBondContact CD-O 3.27Å; K185-C238 WeakPolarHBondContact CE-O 3.18Å; K185-C238 PolarHBondContact NZ-O 2.65Å; K185-K239 HydrophobicContact CB-CG 3.82Å; K185-K239 HydrophobicContact CG-CG 3.76Å; K185-G264 VanDerWaalsContact CE-O 3.27Å; K185-G264 WeakPolarHBondContact CE-O 3.25Å; K185-G264 PolarHBondContact NZ-O 3.45Å; K185-S265 PolarHBondContact NZ-OG 3.24Å; K185-Y312 VanDerWaalsContact CE-OH 3.27Å; K185-Y312 WeakPolarHBondContact CE-OH 3.06Å
186	E	96.1	Very high	91.8	Very high	154 Å²	154	69.9 Å²	69.9	72%	0.72	37%	0.374	S	S	*	.			trans	-103.3	-29.7	177.9	-63.3	175	179.8	0	0	111.7	T237	E186-T237 PolarHBondContact N-O 2.9Å
187	K	98.2	Very high	92.5	Very high	42 Å²	42	67.1 Å²	67.1	18%	0.183	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.8	-170.6	-61.8	170.2	-163.1	126.1	0	110.4	H216 Y218 T237 C238 K239	K187-H216 HydrophobicContact CD-CB 3.95Å; K187-Y218 WeakPolarHBondContact CE-OH 3.32Å; K187-Y218 PolarHBondContact NZ-OH 2.72Å; K187-T237 PolarHBondContact N-O 2.81Å; K187-T237 PolarHBondContact NZ-OG1 3.05Å; K187-C238 HydrophobicContact CB-CB 4.29Å; K187-C238 CarbonylContact O-C 3.14Å; K187-C238 VanDerWaalsContact O-CA 3.27Å; K187-C238 WeakPolarHBondContact O-CA 3.38Å; K187-K239 PolarHBondContact O-N 2.83Å
188	L	98.4	Very high	93.8	Very high	38 Å²	38	64.3 Å²	64.3	20%	0.199	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-62.4	179.8	-174.6	55.3	0	0	0	111.3	I213 K239 F240 K303 D306	L188-I213 HydrophobicContact CD2-CD1 3.67Å; L188-I213 HydrophobicContact CD2-CG1 4.04Å; L188-I213 HydrophobicContact CG-CD1 4.25Å; L188-K239 HydrophobicContact CD1-CB 4.47Å; L188-K239 HydrophobicContact CD1-CD 4.3Å; L188-K239 PolarHBondContact O-N 3.02Å; L188-F240 HydrophobicContact CD1-CD2 3.76Å; L188-F240 HydrophobicContact CD1-CE2 3.61Å; L188-F240 HydrophobicContact CG-CD2 4.32Å; L188-F240 WeakPolarHBondContact O-CD2 3.37Å; L188-F240 PolarHBondContact O-N 2.72Å; L188-K303 HydrophobicContact CD2-CG 4.39Å; L188-D306 HydrophobicContact CD1-CB 3.65Å
189	V	98.9	Very high	94.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.5	-178.1	-169.8	0	0	0	0	110.1	I213 I215 H216 F240 L242 L302	V189-I213 HydrophobicContact CG2-CD1 3.66Å; V189-I213 HydrophobicContact CG2-CG1 4.13Å; V189-I215 HydrophobicContact CB-CG1 4.31Å; V189-I215 HydrophobicContact CG1-CG1 4.18Å; V189-I215 HydrophobicContact CG1-CG2 4.21Å; V189-H216 PolarHBondContact O-N 3.44Å; V189-F240 WeakPolarHBondContact CA-O 3.32Å; V189-F240 HydrophobicContact CG2-CB 4.3Å; V189-F240 HydrophobicContact CG2-CD2 4.38Å; V189-L242 HydrophobicContact CG1-CD1 4.21Å; V189-L242 HydrophobicContact CG1-CD2 3.65Å; V189-L242 HydrophobicContact CG1-CG 3.71Å; V189-L302 HydrophobicContact CG2-CD1 4Å
190	C	98.7	Very high	95.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.4	171.8	-66.1	0	0	0	0	112.8	H216 Y218 C238 F240 Y241 L242	C190-H216 CarbonylContact C-O 3.58Å; C190-H216 VanDerWaalsContact CA-O 3.24Å; C190-H216 WeakPolarHBondContact CA-O 3.04Å; C190-Y218 HydrophobicContact CB-CE2 4.41Å; C190-C238 HydrophobicContact CB-CB 3.58Å; C190-C238 WeakPolarHBondContact CB-SG 3.43Å; C190-C238 WeakPolarHBondContact SG-CB 3.44Å; C190-C238 CovalentContact SG-SG 1.99Å; C190-C238 PolarHBondContact SG-SG 3.27Å; C190-F240 PolarHBondContact N-O 3.36Å; C190-Y241 HydrophobicContact CB-CD2 4.49Å; C190-Y241 WeakPolarHBondContact O-CD2 3.32Å; C190-L242 PolarHBondContact O-N 3.26Å
191	W	98.6	Very high	95.8	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.011	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	126.4	174.7	-166.2	28.6	0	0	0	111	V193 W196 R202 V203 Y206 I215 H216 T217 Y218 F222 L242 F244	W191-V193 HydrophobicContact CD2-CG2 3.28Å; W191-V193 HydrophobicContact CE3-CG2 3.7Å; W191-V193 HydrophobicContact CG-CG2 3.76Å; W191-V193 HydrophobicContact CH2-CG2 3.88Å; W191-V193 HydrophobicContact CZ2-CG2 3.48Å; W191-V193 VanDerWaalsContact CZ2-CG2 3.48Å; W191-V193 HydrophobicContact CZ3-CG2 3.97Å; W191-W196 AromaticContact CH2-CZ3 3.94Å; W191-W196 HydrophobicContact CH2-CZ3 3.94Å; W191-W196 HydrophobicContact CZ3-CH2 4.37Å; W191-W196 AromaticContact CZ3-CZ3 3.67Å; W191-W196 HydrophobicContact CZ3-CZ3 3.67Å; W191-R202 HydrophobicContact CH2-CG 4.46Å; W191-R202 HydrophobicContact CZ2-CB 4.12Å; W191-R202 HydrophobicContact CZ2-CG 4.11Å; W191-V203 HydrophobicContact CH2-CG2 4.34Å; W191-Y206 HydrophobicContact CD2-CD2 4.27Å; W191-Y206 HydrophobicContact CE3-CD1 4.24Å; W191-Y206 AromaticContact CE3-CD2 3.24Å; W191-Y206 HydrophobicContact CE3-CD2 3.24Å; W191-Y206 AromaticContact CE3-CE2 3.71Å; W191-Y206 HydrophobicContact CE3-CE2 3.71Å; W191-Y206 AromaticContact CE3-CG 3.55Å; W191-Y206 HydrophobicContact CE3-CG 3.55Å; W191-Y206 HydrophobicContact CH2-CD1 4.46Å; W191-Y206 HydrophobicContact CH2-CD2 4.48Å; W191-Y206 AromaticContact CH2-CG 3.97Å; W191-Y206 HydrophobicContact CH2-CG 3.97Å; W191-Y206 AromaticContact CZ3-CD1 3.57Å; W191-Y206 HydrophobicContact CZ3-CD1 3.57Å; W191-Y206 AromaticContact CZ3-CD2 3.39Å; W191-Y206 HydrophobicContact CZ3-CD2 3.39Å; W191-Y206 HydrophobicContact CZ3-CE1 4.2Å; W191-Y206 HydrophobicContact CZ3-CE2 4.05Å; W191-Y206 AromaticContact CZ3-CG 3.11Å; W191-Y206 HydrophobicContact CZ3-CG 3.11Å; W191-I215 HydrophobicContact CB-CG2 4.03Å; W191-H216 PolarHBondContact N-O 2.87Å; W191-T217 CarbonylContact O-C 2.7Å; W191-T217 WeakPolarHBondContact O-CA 3.29Å; W191-Y218 PolarHBondContact O-N 3.32Å; W191-F222 HydrophobicContact CE3-CE2 4.3Å; W191-F222 HydrophobicContact CE3-CZ 4.03Å; W191-F222 HydrophobicContact CZ3-CZ 4.1Å; W191-L242 HydrophobicContact CB-CB 4.04Å; W191-L242 HydrophobicContact CB-CD1 4.05Å; W191-L242 HydrophobicContact CB-CG 4.26Å; W191-L242 HydrophobicContact CD2-CD1 4.38Å; W191-L242 HydrophobicContact CG-CB 3.8Å; W191-L242 HydrophobicContact CG-CD1 4.1Å; W191-L242 HydrophobicContact CG-CG 4.4Å; W191-L242 PolarHBondContact NE1-O 2.79Å; W191-F244 HydrophobicContact CZ2-CB 4.49Å; W191-F244 HydrophobicContact CZ2-CD2 4.13Å
192	V	98	Very high	96.2	Very high	18 Å²	18	51.7 Å²	51.7	11%	0.109	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.2	177.1	-174.9	0	0	0	0	108.2	Y218 V226 L231 T234 I235 Y241	V192-Y218 CarbonylContact C-O 3.52Å; V192-Y218 WeakPolarHBondContact CA-O 3.4Å; V192-Y218 HydrophobicContact CG2-CD2 4.39Å; V192-V226 HydrophobicContact CG1-CB 4.41Å; V192-V226 HydrophobicContact CG1-CG2 4.34Å; V192-L231 HydrophobicContact CB-CD1 4.11Å; V192-L231 HydrophobicContact CG1-CD1 3.77Å; V192-L231 HydrophobicContact CG2-CD1 4.05Å; V192-T234 HydrophobicContact CG2-CG2 4.49Å; V192-I235 HydrophobicContact CG2-CG1 4.06Å; V192-Y241 HydrophobicContact CB-CE2 4.2Å; V192-Y241 HydrophobicContact CG2-CE2 3.89Å
193	V	97.4	Very high	96.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	27%	0.273	C	S	.	.			trans	-135.8	124.4	-175.6	-172.3	0	0	0	0	110.7	W191 N195 W196 Y218 G219 Q220 A221 F222	W191-V193 HydrophobicContact CD2-CG2 3.28Å; W191-V193 HydrophobicContact CE3-CG2 3.7Å; W191-V193 HydrophobicContact CG-CG2 3.76Å; W191-V193 HydrophobicContact CH2-CG2 3.88Å; W191-V193 HydrophobicContact CZ2-CG2 3.48Å; W191-V193 VanDerWaalsContact CZ2-CG2 3.48Å; W191-V193 HydrophobicContact CZ3-CG2 3.97Å; V193-N195 VanDerWaalsContact CG1-O 3.29Å; V193-N195 WeakPolarHBondContact CG1-O 3.45Å; V193-W196 HydrophobicContact CG1-CE3 4.47Å; V193-Y218 PolarHBondContact N-O 2.87Å; V193-G219 CarbonylContact O-C 3.57Å; V193-G219 WeakPolarHBondContact O-CA 3.19Å; V193-Q220 PolarHBondContact O-N 3.5Å; V193-Q220 VanDerWaalsContact O-N 3.14Å; V193-A221 HydrophobicContact CB-CB 3.91Å; V193-A221 HydrophobicContact CG1-CB 3.82Å; V193-A221 VanDerWaalsContact O-CB 3.24Å; V193-A221 WeakPolarHBondContact O-CB 3.24Å; V193-A221 PolarHBondContact O-N 3.5Å; V193-F222 HydrophobicContact CB-CD2 4.48Å; V193-F222 HydrophobicContact CB-CE2 3.88Å; V193-F222 HydrophobicContact CG2-CE2 3.95Å
194	S	93.7	Very high	96.7	Very high	70 Å²	70	52.3 Å²	52.3	49%	0.49	28%	0.279	S	S	.	.	S	Bend	trans	-95.9	-49.2	172.4	-53.3	0	0	0	0	112
195	N	90.5	Very high	96.9	Very high	84 Å²	84	48.6 Å²	48.6	45%	0.449	25%	0.248	S	C	.	.	S	Bend	trans	-95.5	117.8	-179.3	-179.4	22.5	0	0	0	110.6	V193 R202	V193-N195 VanDerWaalsContact CG1-O 3.29Å; V193-N195 WeakPolarHBondContact CG1-O 3.45Å; N195-R202 PolarHBondContact O-NH2 3.27Å
196	W	95	Very high	97	Very high	87 Å²	87	48 Å²	48	33%	0.33	24%	0.244	S	C	.	.			trans	-105.9	131.6	177.8	-175.5	-95.5	0	0	0	111.6	W191 V193 V203 Y206 A221 F222	W191-W196 AromaticContact CH2-CZ3 3.94Å; W191-W196 HydrophobicContact CH2-CZ3 3.94Å; W191-W196 HydrophobicContact CZ3-CH2 4.37Å; W191-W196 AromaticContact CZ3-CZ3 3.67Å; W191-W196 HydrophobicContact CZ3-CZ3 3.67Å; V193-W196 HydrophobicContact CG1-CE3 4.47Å; W196-V203 HydrophobicContact CD2-CG1 4.41Å; W196-V203 HydrophobicContact CD2-CG2 3.89Å; W196-V203 HydrophobicContact CE3-CG2 3.79Å; W196-V203 HydrophobicContact CH2-CB 4.28Å; W196-V203 HydrophobicContact CH2-CG1 3.51Å; W196-V203 HydrophobicContact CH2-CG2 4.03Å; W196-V203 HydrophobicContact CZ2-CB 4.26Å; W196-V203 HydrophobicContact CZ2-CG1 3.19Å; W196-V203 HydrophobicContact CZ2-CG2 4.11Å; W196-V203 HydrophobicContact CZ3-CG1 4.22Å; W196-V203 HydrophobicContact CZ3-CG2 3.86Å; W196-Y206 AromaticContact CH2-CD1 3.9Å; W196-Y206 HydrophobicContact CH2-CD1 3.9Å; W196-Y206 HydrophobicContact CH2-CE1 4.08Å; W196-Y206 HydrophobicContact CZ3-CD1 4.38Å; W196-A221 HydrophobicContact CB-CB 3.84Å; W196-A221 HydrophobicContact CE3-CB 4.12Å; W196-F222 HydrophobicContact CE3-CZ 4.29Å; W196-F222 HydrophobicContact CH2-CZ 4.46Å; W196-F222 HydrophobicContact CZ3-CE1 4.22Å; W196-F222 HydrophobicContact CZ3-CE2 4.46Å; W196-F222 AromaticContact CZ3-CZ 3.69Å; W196-F222 HydrophobicContact CZ3-CZ 3.69Å
197	N	95.5	Very high	97.1	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	23%	0.227	S	C	.	.			trans	-143.6	114.4	169.5	-177	-15.2	0	0	0	109.4	E199 H200 V203	N197-E199 PolarHBondContact O-N 2.98Å; N197-E199 WeakPolarHBondContact OD1-CB 2.94Å; N197-E199 PolarHBondContact OD1-N 3.4Å; N197-H200 VanDerWaalsContact CB-CD2 3.46Å; N197-H200 WeakPolarHBondContact CB-CD2 3.13Å; N197-H200 PolarHBondContact ND2-CD2 2.63Å; N197-H200 PolarHBondContact ND2-NE2 3.49Å; N197-H200 WeakPolarHBondContact O-CB 3.04Å; N197-H200 PolarHBondContact O-N 2.7Å; N197-V203 WeakPolarHBondContact O-CB 3.29Å; N197-V203 WeakPolarHBondContact O-CG2 3.37Å
198	P	95.9	Very high	97.1	Very high	71 Å²	71	46.3 Å²	46.3	46%	0.461	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-26.4	179.2	-26.3	34.9	0	0	0	114.7	H200 K204	P198-H200 VanDerWaalsContact C-N 3.34Å; P198-K204 WeakPolarHBondContact O-CE 3.24Å
199	E	95.6	Very high	97.1	Very high	131 Å²	131	44.5 Å²	44.5	61%	0.612	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.3	-178.9	-66.2	-49.8	131.4	0	0	114	N197 K204	N197-E199 PolarHBondContact O-N 2.98Å; N197-E199 WeakPolarHBondContact OD1-CB 2.94Å; N197-E199 PolarHBondContact OD1-N 3.4Å; E199-K204 WeakPolarHBondContact O-CE 3.18Å; E199-K204 PolarHBondContact O-NZ 3.33Å; E199-K204 IonicContact OE2-NZ 2.91Å; E199-K204 PolarHBondContact OE2-NZ 2.75Å
200	H	96.8	Very high	97.1	Very high	27 Å²	27	46.6 Å²	46.6	13%	0.125	25%	0.245	C	C	.	.	S	Bend	trans	-72	140.9	-177.9	-69.9	-159.9	0	0	0	111.3	H141 N197 P198 R202 V203 K204 N246	H141-H200 AromaticContact CE1-CE1 3.83Å; H141-H200 AromaticContact NE2-CE1 3.49Å; H141-H200 PolarHBondContact NE2-CE1 3.01Å; N197-H200 VanDerWaalsContact CB-CD2 3.46Å; N197-H200 WeakPolarHBondContact CB-CD2 3.13Å; N197-H200 PolarHBondContact ND2-CD2 2.63Å; N197-H200 PolarHBondContact ND2-NE2 3.49Å; N197-H200 WeakPolarHBondContact O-CB 3.04Å; N197-H200 PolarHBondContact O-N 2.7Å; P198-H200 VanDerWaalsContact C-N 3.34Å; H200-R202 HydrophobicContact CB-CG 4.01Å; H200-R202 PolarHBondContact O-N 3.23Å; H200-R202 VanDerWaalsContact O-N 3.14Å; H200-V203 PolarHBondContact O-N 2.99Å; H200-K204 PolarHBondContact O-N 3.27Å; H200-N246 PolarHBondContact CE1-O 2.55Å; H200-N246 PolarHBondContact ND1-O 3.37Å
201	A	97.5	Very high	97.1	Very high	46 Å²	46	53.3 Å²	53.3	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-50.9	-41.1	178.5	0	0	0	0	0	112.7	V203 K204 Y205 I248 L270	A201-V203 VanDerWaalsContact C-N 3.31Å; A201-V203 PolarHBondContact O-N 2.99Å; A201-K204 PolarHBondContact O-N 3.2Å; A201-Y205 VanDerWaalsContact O-CB 3.29Å; A201-Y205 WeakPolarHBondContact O-CB 3.49Å; A201-Y205 PolarHBondContact O-N 2.93Å; A201-I248 HydrophobicContact CB-CD1 4.02Å; A201-L270 HydrophobicContact CB-CD2 4.07Å
202	R	97.7	Very high	97.1	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.019	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-37.4	177	70.2	-179.5	176.6	178.6	-12.1	114.4	W191 N195 H200 Y206 F244 E245 N246	W191-R202 HydrophobicContact CH2-CG 4.46Å; W191-R202 HydrophobicContact CZ2-CB 4.12Å; W191-R202 HydrophobicContact CZ2-CG 4.11Å; N195-R202 PolarHBondContact O-NH2 3.27Å; H200-R202 HydrophobicContact CB-CG 4.01Å; H200-R202 PolarHBondContact O-N 3.23Å; H200-R202 VanDerWaalsContact O-N 3.14Å; R202-Y206 VanDerWaalsContact O-CB 3.27Å; R202-Y206 WeakPolarHBondContact O-CB 3.45Å; R202-Y206 PolarHBondContact O-N 2.59Å; R202-F244 HydrophobicContact CB-CB 3.62Å; R202-F244 HydrophobicContact CB-CD2 3.97Å; R202-F244 HydrophobicContact CB-CG 4.24Å; R202-E245 WeakPolarHBondContact CD-O 3.37Å; R202-N246 VanDerWaalsContact CZ-OD1 3.27Å; R202-N246 PolarHBondContact NH1-OD1 3.06Å; R202-N246 PolarHBondContact NH2-OD1 3.03Å
203	V	98.1	Very high	97.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-76.9	-45.4	-178.4	169.9	0	0	0	0	109.6	W191 W196 N197 H200 A201 Y205 Y206 N207	W191-V203 HydrophobicContact CH2-CG2 4.34Å; W196-V203 HydrophobicContact CD2-CG1 4.41Å; W196-V203 HydrophobicContact CD2-CG2 3.89Å; W196-V203 HydrophobicContact CE3-CG2 3.79Å; W196-V203 HydrophobicContact CH2-CB 4.28Å; W196-V203 HydrophobicContact CH2-CG1 3.51Å; W196-V203 HydrophobicContact CH2-CG2 4.03Å; W196-V203 HydrophobicContact CZ2-CB 4.26Å; W196-V203 HydrophobicContact CZ2-CG1 3.19Å; W196-V203 HydrophobicContact CZ2-CG2 4.11Å; W196-V203 HydrophobicContact CZ3-CG1 4.22Å; W196-V203 HydrophobicContact CZ3-CG2 3.86Å; N197-V203 WeakPolarHBondContact O-CB 3.29Å; N197-V203 WeakPolarHBondContact O-CG2 3.37Å; H200-V203 PolarHBondContact O-N 2.99Å; A201-V203 VanDerWaalsContact C-N 3.31Å; A201-V203 PolarHBondContact O-N 2.99Å; V203-Y205 VanDerWaalsContact C-N 3.3Å; V203-Y205 PolarHBondContact O-N 2.87Å; V203-Y206 PolarHBondContact O-N 2.88Å; V203-N207 WeakPolarHBondContact O-CB 3.06Å; V203-N207 VanDerWaalsContact O-CG 3.26Å; V203-N207 PolarHBondContact O-N 3.49Å; V203-N207 PolarHBondContact O-ND2 2.8Å
204	K	98.3	Very high	97.1	Very high	102 Å²	102	60.7 Å²	60.7	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-45.9	174	-67.9	172.8	176	161.1	0	110.8	P198 E199 H200 A201 N207 E208	P198-K204 WeakPolarHBondContact O-CE 3.24Å; E199-K204 WeakPolarHBondContact O-CE 3.18Å; E199-K204 PolarHBondContact O-NZ 3.33Å; E199-K204 IonicContact OE2-NZ 2.91Å; E199-K204 PolarHBondContact OE2-NZ 2.75Å; H200-K204 PolarHBondContact O-N 3.27Å; A201-K204 PolarHBondContact O-N 3.2Å; K204-N207 PolarHBondContact O-N 3.35Å; K204-E208 PolarHBondContact O-N 3.21Å
205	Y	98.7	Very high	97.4	Very high	37 Å²	37	58.2 Å²	58.2	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-44.8	178.6	-159.9	-80.3	0	0	0	112.5	A201 V203 N207 E208 L209 F244 L270 V289 P295 L298	A201-Y205 VanDerWaalsContact O-CB 3.29Å; A201-Y205 WeakPolarHBondContact O-CB 3.49Å; A201-Y205 PolarHBondContact O-N 2.93Å; V203-Y205 VanDerWaalsContact C-N 3.3Å; V203-Y205 PolarHBondContact O-N 2.87Å; Y205-N207 VanDerWaalsContact C-N 3.34Å; Y205-N207 PolarHBondContact O-N 2.9Å; Y205-E208 PolarHBondContact O-N 2.94Å; Y205-L209 HydrophobicContact CD1-CB 4.37Å; Y205-L209 HydrophobicContact CE1-CB 4.4Å; Y205-L209 HydrophobicContact CE1-CD2 4.34Å; Y205-L209 WeakPolarHBondContact O-CB 3.25Å; Y205-L209 PolarHBondContact O-N 2.96Å; Y205-F244 AromaticContact CD1-CE2 3.85Å; Y205-F244 HydrophobicContact CD1-CE2 3.85Å; Y205-F244 AromaticContact CD1-CZ 3.71Å; Y205-F244 HydrophobicContact CD1-CZ 3.71Å; Y205-F244 HydrophobicContact CE1-CZ 4.14Å; Y205-F244 HydrophobicContact CG-CE2 4.49Å; Y205-L270 HydrophobicContact CD1-CD1 4.32Å; Y205-L270 HydrophobicContact CD2-CD1 3.92Å; Y205-L270 HydrophobicContact CG-CD1 3.67Å; Y205-V289 HydrophobicContact CD1-CG1 4.18Å; Y205-V289 HydrophobicContact CE1-CB 4.13Å; Y205-V289 HydrophobicContact CE1-CG1 3.6Å; Y205-V289 HydrophobicContact CE2-CB 3.8Å; Y205-V289 HydrophobicContact CE2-CG1 4.16Å; Y205-V289 HydrophobicContact CE2-CG2 4.34Å; Y205-P295 HydrophobicContact CD1-CG 4.48Å; Y205-P295 HydrophobicContact CD2-CG 4.14Å; Y205-P295 HydrophobicContact CE1-CB 4.09Å; Y205-P295 HydrophobicContact CE1-CG 4.14Å; Y205-P295 HydrophobicContact CE2-CG 3.77Å; Y205-P295 HydrophobicContact CG-CG 4.47Å; Y205-L298 HydrophobicContact CE1-CD2 3.74Å; Y205-L298 WeakPolarHBondContact OH-CD2 3.18Å
206	Y	98.6	Very high	97.8	Very high	32 Å²	32	56.8 Å²	56.8	13%	0.125	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-44.3	174.4	163.5	-96.8	0	0	0	112.5	W191 W196 R202 V203 E208 L209 S210 I215 T217 L242	W191-Y206 HydrophobicContact CD2-CD2 4.27Å; W191-Y206 HydrophobicContact CE3-CD1 4.24Å; W191-Y206 AromaticContact CE3-CD2 3.24Å; W191-Y206 HydrophobicContact CE3-CD2 3.24Å; W191-Y206 AromaticContact CE3-CE2 3.71Å; W191-Y206 HydrophobicContact CE3-CE2 3.71Å; W191-Y206 AromaticContact CE3-CG 3.55Å; W191-Y206 HydrophobicContact CE3-CG 3.55Å; W191-Y206 HydrophobicContact CH2-CD1 4.46Å; W191-Y206 HydrophobicContact CH2-CD2 4.48Å; W191-Y206 AromaticContact CH2-CG 3.97Å; W191-Y206 HydrophobicContact CH2-CG 3.97Å; W191-Y206 AromaticContact CZ3-CD1 3.57Å; W191-Y206 HydrophobicContact CZ3-CD1 3.57Å; W191-Y206 AromaticContact CZ3-CD2 3.39Å; W191-Y206 HydrophobicContact CZ3-CD2 3.39Å; W191-Y206 HydrophobicContact CZ3-CE1 4.2Å; W191-Y206 HydrophobicContact CZ3-CE2 4.05Å; W191-Y206 AromaticContact CZ3-CG 3.11Å; W191-Y206 HydrophobicContact CZ3-CG 3.11Å; W196-Y206 AromaticContact CH2-CD1 3.9Å; W196-Y206 HydrophobicContact CH2-CD1 3.9Å; W196-Y206 HydrophobicContact CH2-CE1 4.08Å; W196-Y206 HydrophobicContact CZ3-CD1 4.38Å; R202-Y206 VanDerWaalsContact O-CB 3.27Å; R202-Y206 WeakPolarHBondContact O-CB 3.45Å; R202-Y206 PolarHBondContact O-N 2.59Å; V203-Y206 PolarHBondContact O-N 2.88Å; Y206-E208 PolarHBondContact O-N 2.89Å; Y206-L209 PolarHBondContact O-N 2.85Å; Y206-S210 VanDerWaalsContact O-CB 3.3Å; Y206-S210 WeakPolarHBondContact O-CB 3.36Å; Y206-S210 PolarHBondContact O-N 3.46Å; Y206-S210 PolarHBondContact O-OG 2.81Å; Y206-I215 HydrophobicContact CD2-CD1 3.68Å; Y206-I215 HydrophobicContact CD2-CG2 4.3Å; Y206-I215 HydrophobicContact CE2-CB 4.01Å; Y206-I215 HydrophobicContact CE2-CD1 3.76Å; Y206-I215 HydrophobicContact CE2-CG2 3.84Å; Y206-T217 HydrophobicContact CE2-CG2 3.68Å; Y206-T217 WeakPolarHBondContact OH-CG2 3.46Å; Y206-L242 HydrophobicContact CD2-CD1 4.5Å
207	N	98.4	Very high	97.9	Very high	68 Å²	68	54.5 Å²	54.5	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-31.2	-179.5	-73.9	-20	0	0	0	112.6	V203 K204 Y205 S210 K211	V203-N207 WeakPolarHBondContact O-CB 3.06Å; V203-N207 VanDerWaalsContact O-CG 3.26Å; V203-N207 PolarHBondContact O-N 3.49Å; V203-N207 PolarHBondContact O-ND2 2.8Å; K204-N207 PolarHBondContact O-N 3.35Å; Y205-N207 VanDerWaalsContact C-N 3.34Å; Y205-N207 PolarHBondContact O-N 2.9Å; N207-S210 PolarHBondContact O-OG 2.74Å; N207-K211 VanDerWaalsContact O-CE 3.29Å; N207-K211 WeakPolarHBondContact O-CE 3.45Å; N207-K211 WeakPolarHBondContact O-CG 3.34Å
208	E	98.7	Very high	98	Very high	92 Å²	92	53.5 Å²	53.5	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-82.5	-40.4	174.2	-66.5	-52.1	129.4	0	0	112.4	K204 Y205 Y206 K211 P295	K204-E208 PolarHBondContact O-N 3.21Å; Y205-E208 PolarHBondContact O-N 2.94Å; Y206-E208 PolarHBondContact O-N 2.89Å; E208-K211 WeakPolarHBondContact O-CB 3.44Å; E208-K211 PolarHBondContact O-N 3.13Å; E208-K211 IonicContact OE1-NZ 3.73Å; E208-K211 PolarHBondContact OE1-NZ 3.47Å; E208-K211 IonicContact OE2-NZ 3.8Å; E208-K211 PolarHBondContact OE2-NZ 3.49Å; E208-P295 HydrophobicContact CB-CB 3.95Å; E208-P295 HydrophobicContact CB-CG 3.7Å
209	L	98.8	Very high	98	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-44	179.5	-174.5	62.6	0	0	0	111.5	Y205 Y206 K211 S212 I213 I215 L242 P295 L298 A299	Y205-L209 HydrophobicContact CD1-CB 4.37Å; Y205-L209 HydrophobicContact CE1-CB 4.4Å; Y205-L209 HydrophobicContact CE1-CD2 4.34Å; Y205-L209 WeakPolarHBondContact O-CB 3.25Å; Y205-L209 PolarHBondContact O-N 2.96Å; Y206-L209 PolarHBondContact O-N 2.85Å; L209-K211 PolarHBondContact O-N 3.37Å; L209-K211 VanDerWaalsContact O-N 3.11Å; L209-S212 PolarHBondContact O-N 2.9Å; L209-I213 HydrophobicContact CD1-CG2 3.9Å; L209-I213 HydrophobicContact CG-CG2 3.84Å; L209-I213 PolarHBondContact O-N 3.1Å; L209-I215 HydrophobicContact CB-CD1 4.2Å; L209-I215 HydrophobicContact CD2-CD1 3.97Å; L209-I215 HydrophobicContact CG-CD1 3.93Å; L209-L242 HydrophobicContact CD2-CD1 4.08Å; L209-L242 HydrophobicContact CD2-CD2 4.07Å; L209-P295 HydrophobicContact CB-CB 4.1Å; L209-P295 HydrophobicContact CD1-CB 4.27Å; L209-P295 WeakPolarHBondContact CD1-O 3.44Å; L209-L298 HydrophobicContact CD1-CB 4.45Å; L209-L298 HydrophobicContact CD1-CD2 4.1Å; L209-L298 HydrophobicContact CD1-CG 4.27Å; L209-L298 HydrophobicContact CD2-CD2 4.3Å; L209-A299 HydrophobicContact CD1-CB 3.95Å
210	S	98.3	Very high	98.1	Very high	45 Å²	45	49.4 Å²	49.4	32%	0.315	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.5	-178	62.5	0	0	0	0	113.9	Y206 N207 S212 I213	Y206-S210 VanDerWaalsContact O-CB 3.3Å; Y206-S210 WeakPolarHBondContact O-CB 3.36Å; Y206-S210 PolarHBondContact O-N 3.46Å; Y206-S210 PolarHBondContact O-OG 2.81Å; N207-S210 PolarHBondContact O-OG 2.74Å; S210-S212 VanDerWaalsContact C-N 3.28Å; S210-S212 PolarHBondContact O-N 3.26Å; S210-I213 WeakPolarHBondContact CA-O 3.46Å
211	K	98.6	Very high	98	Very high	140 Å²	140	49.7 Å²	49.7	61%	0.609	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-24.9	173	-60.2	173.4	-171	171.2	0	112.9	N207 E208 L209	N207-K211 VanDerWaalsContact O-CE 3.29Å; N207-K211 WeakPolarHBondContact O-CE 3.45Å; N207-K211 WeakPolarHBondContact O-CG 3.34Å; E208-K211 WeakPolarHBondContact O-CB 3.44Å; E208-K211 PolarHBondContact O-N 3.13Å; E208-K211 IonicContact OE1-NZ 3.73Å; E208-K211 PolarHBondContact OE1-NZ 3.47Å; E208-K211 IonicContact OE2-NZ 3.8Å; E208-K211 PolarHBondContact OE2-NZ 3.49Å; L209-K211 PolarHBondContact O-N 3.37Å; L209-K211 VanDerWaalsContact O-N 3.11Å
212	S	98.5	Very high	98	Very high	36 Å²	36	50.5 Å²	50.5	25%	0.252	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-18.2	-172.7	-64.8	0	0	0	0	113.7	L209 S210 S296 A299 K303	L209-S212 PolarHBondContact O-N 2.9Å; S210-S212 VanDerWaalsContact C-N 3.28Å; S210-S212 PolarHBondContact O-N 3.26Å; S212-S296 PolarHBondContact OG-OG 3.21Å; S212-A299 VanDerWaalsContact CB-CB 3.5Å; S212-K303 WeakPolarHBondContact O-CE 3.48Å; S212-K303 PolarHBondContact O-NZ 3.46Å
213	I	98.6	Very high	97.7	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.041	28%	0.283	C	S	.	.	S	Bend	trans	-149	142.2	-177.9	-168.2	164.5	0	0	0	110	L188 V189 L209 S210 I215 A299 L302 K303	L188-I213 HydrophobicContact CD2-CD1 3.67Å; L188-I213 HydrophobicContact CD2-CG1 4.04Å; L188-I213 HydrophobicContact CG-CD1 4.25Å; V189-I213 HydrophobicContact CG2-CD1 3.66Å; V189-I213 HydrophobicContact CG2-CG1 4.13Å; L209-I213 HydrophobicContact CD1-CG2 3.9Å; L209-I213 HydrophobicContact CG-CG2 3.84Å; L209-I213 PolarHBondContact O-N 3.1Å; S210-I213 WeakPolarHBondContact CA-O 3.46Å; I213-I215 HydrophobicContact CG2-CD1 4.48Å; I213-I215 HydrophobicContact CG2-CG1 4.18Å; I213-I215 PolarHBondContact O-N 3.36Å; I213-A299 HydrophobicContact CB-CB 3.9Å; I213-A299 HydrophobicContact CG2-CB 3.91Å; I213-L302 HydrophobicContact CD1-CB 3.89Å; I213-L302 HydrophobicContact CD1-CD1 4.19Å; I213-K303 HydrophobicContact CD1-CG 4.2Å
214	E	98.4	Very high	97.4	Very high	136 Å²	136	59 Å²	59	64%	0.636	31%	0.308	S	S	*	.			trans	-67.7	131.1	173.7	-175.4	175.8	-175.2	0	0	110	H216	E214-H216 IonicContact OE1-CE1 2.73Å; E214-H216 PolarHBondContact OE1-CE1 3.21Å; E214-H216 VanDerWaalsContact OE1-CE1 3.27Å; E214-H216 IonicContact OE1-NE2 3.82Å
215	I	98.7	Very high	97.1	Very high	18 Å²	18	61.4 Å²	61.4	9%	0.092	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.7	178.6	-56.8	168.5	0	0	0	107.4	V189 W191 Y206 L209 I213 T217 L242	V189-I215 HydrophobicContact CB-CG1 4.31Å; V189-I215 HydrophobicContact CG1-CG1 4.18Å; V189-I215 HydrophobicContact CG1-CG2 4.21Å; W191-I215 HydrophobicContact CB-CG2 4.03Å; Y206-I215 HydrophobicContact CD2-CD1 3.68Å; Y206-I215 HydrophobicContact CD2-CG2 4.3Å; Y206-I215 HydrophobicContact CE2-CB 4.01Å; Y206-I215 HydrophobicContact CE2-CD1 3.76Å; Y206-I215 HydrophobicContact CE2-CG2 3.84Å; L209-I215 HydrophobicContact CB-CD1 4.2Å; L209-I215 HydrophobicContact CD2-CD1 3.97Å; L209-I215 HydrophobicContact CG-CD1 3.93Å; I213-I215 HydrophobicContact CG2-CD1 4.48Å; I213-I215 HydrophobicContact CG2-CG1 4.18Å; I213-I215 PolarHBondContact O-N 3.36Å; I215-T217 HydrophobicContact CG2-CG2 4.21Å; I215-T217 PolarHBondContact O-N 3.31Å; I215-L242 HydrophobicContact CD1-CD1 4.07Å; I215-L242 HydrophobicContact CG2-CD1 4.06Å
216	H	98.3	Very high	96.9	Very high	54 Å²	54	60.7 Å²	60.7	25%	0.25	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.8	174.7	-62.1	-92.5	0	0	0	109.8	K187 V189 C190 W191 E214 Y218	K187-H216 HydrophobicContact CD-CB 3.95Å; V189-H216 PolarHBondContact O-N 3.44Å; C190-H216 CarbonylContact C-O 3.58Å; C190-H216 VanDerWaalsContact CA-O 3.24Å; C190-H216 WeakPolarHBondContact CA-O 3.04Å; W191-H216 PolarHBondContact N-O 2.87Å; E214-H216 IonicContact OE1-CE1 2.73Å; E214-H216 PolarHBondContact OE1-CE1 3.21Å; E214-H216 VanDerWaalsContact OE1-CE1 3.27Å; E214-H216 IonicContact OE1-NE2 3.82Å; H216-Y218 HydrophobicContact CB-CE2 4.01Å
217	T	98	Very high	96.7	Very high	38 Å²	38	61.7 Å²	61.7	23%	0.233	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.9	-174.2	53	0	0	0	0	112.1	W191 Y206 I215 F222	W191-T217 CarbonylContact O-C 2.7Å; W191-T217 WeakPolarHBondContact O-CA 3.29Å; Y206-T217 HydrophobicContact CE2-CG2 3.68Å; Y206-T217 WeakPolarHBondContact OH-CG2 3.46Å; I215-T217 HydrophobicContact CG2-CG2 4.21Å; I215-T217 PolarHBondContact O-N 3.31Å; T217-F222 HydrophobicContact CG2-CD1 4.19Å; T217-F222 HydrophobicContact CG2-CD2 4.36Å; T217-F222 HydrophobicContact CG2-CE1 3.68Å; T217-F222 HydrophobicContact CG2-CE2 3.85Å; T217-F222 HydrophobicContact CG2-CG 4.49Å; T217-F222 HydrophobicContact CG2-CZ 3.47Å; T217-F222 VanDerWaalsContact CG2-CZ 3.47Å; T217-F222 WeakPolarHBondContact OG1-CD1 3.49Å
218	Y	97.6	Very high	96.3	Very high	37 Å²	37	65.1 Å²	65.1	15%	0.145	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	168.1	179.6	-58.6	-83.7	0	0	0	110.7	K187 C190 W191 V192 V193 H216 F222 T234	K187-Y218 WeakPolarHBondContact CE-OH 3.32Å; K187-Y218 PolarHBondContact NZ-OH 2.72Å; C190-Y218 HydrophobicContact CB-CE2 4.41Å; W191-Y218 PolarHBondContact O-N 3.32Å; V192-Y218 CarbonylContact C-O 3.52Å; V192-Y218 WeakPolarHBondContact CA-O 3.4Å; V192-Y218 HydrophobicContact CG2-CD2 4.39Å; V193-Y218 PolarHBondContact N-O 2.87Å; H216-Y218 HydrophobicContact CB-CE2 4.01Å; Y218-F222 WeakPolarHBondContact O-CD2 3.32Å; Y218-T234 HydrophobicContact CD1-CG2 4Å; Y218-T234 HydrophobicContact CD2-CG2 3.62Å; Y218-T234 HydrophobicContact CE1-CG2 4.1Å; Y218-T234 HydrophobicContact CE2-CG2 3.72Å; Y218-T234 HydrophobicContact CG-CG2 3.77Å
219	G	96.7	Very high	96.2	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.01	36%	0.357	C	S	.	.	S	Bend	trans	94.6	171.6	175.6	0	0	0	0	0	112.8	V193 A221 F222 E224	V193-G219 CarbonylContact O-C 3.57Å; V193-G219 WeakPolarHBondContact O-CA 3.19Å; G219-A221 PolarHBondContact O-N 2.94Å; G219-F222 PolarHBondContact O-N 3.46Å; G219-E224 CarbonylContact C-O 3.45Å; G219-E224 WeakPolarHBondContact CA-O 3.42Å; G219-E224 PolarHBondContact N-O 3.01Å; G219-E224 PolarHBondContact O-N 3.05Å
220	Q	96.2	Very high	96.1	Very high	115 Å²	115	73.3 Å²	73.3	54%	0.537	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-59.3	-28	-165.2	-67.7	173.3	-26.1	0	0	112.9	V193 F222 G223 E224 Y225	V193-Q220 PolarHBondContact O-N 3.5Å; V193-Q220 VanDerWaalsContact O-N 3.14Å; Q220-F222 PolarHBondContact O-N 2.85Å; Q220-G223 PolarHBondContact O-N 3.01Å; Q220-E224 WeakPolarHBondContact CA-O 3.22Å; Q220-E224 PolarHBondContact N-O 3.28Å; Q220-Y225 HydrophobicContact CG-CD2 4.01Å
221	A	95.9	Very high	96.1	Very high	33 Å²	33	72.8 Å²	72.8	27%	0.273	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-61.2	-21.7	174.9	0	0	0	0	0	113.6	V193 W196 G219	V193-A221 HydrophobicContact CB-CB 3.91Å; V193-A221 HydrophobicContact CG1-CB 3.82Å; V193-A221 VanDerWaalsContact O-CB 3.24Å; V193-A221 WeakPolarHBondContact O-CB 3.24Å; V193-A221 PolarHBondContact O-N 3.5Å; W196-A221 HydrophobicContact CB-CB 3.84Å; W196-A221 HydrophobicContact CE3-CB 4.12Å; G219-A221 PolarHBondContact O-N 2.94Å
222	F	95.9	Very high	96	Very high	63 Å²	63	68.3 Å²	68.3	28%	0.276	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-117	17.6	-177.4	-57.8	-80.1	0	0	0	112.7	W191 V193 W196 T217 Y218 G219 Q220	W191-F222 HydrophobicContact CE3-CE2 4.3Å; W191-F222 HydrophobicContact CE3-CZ 4.03Å; W191-F222 HydrophobicContact CZ3-CZ 4.1Å; V193-F222 HydrophobicContact CB-CD2 4.48Å; V193-F222 HydrophobicContact CB-CE2 3.88Å; V193-F222 HydrophobicContact CG2-CE2 3.95Å; W196-F222 HydrophobicContact CE3-CZ 4.29Å; W196-F222 HydrophobicContact CH2-CZ 4.46Å; W196-F222 HydrophobicContact CZ3-CE1 4.22Å; W196-F222 HydrophobicContact CZ3-CE2 4.46Å; W196-F222 AromaticContact CZ3-CZ 3.69Å; W196-F222 HydrophobicContact CZ3-CZ 3.69Å; T217-F222 HydrophobicContact CG2-CD1 4.19Å; T217-F222 HydrophobicContact CG2-CD2 4.36Å; T217-F222 HydrophobicContact CG2-CE1 3.68Å; T217-F222 HydrophobicContact CG2-CE2 3.85Å; T217-F222 HydrophobicContact CG2-CG 4.49Å; T217-F222 HydrophobicContact CG2-CZ 3.47Å; T217-F222 VanDerWaalsContact CG2-CZ 3.47Å; T217-F222 WeakPolarHBondContact OG1-CD1 3.49Å; Y218-F222 WeakPolarHBondContact O-CD2 3.32Å; G219-F222 PolarHBondContact O-N 3.46Å; Q220-F222 PolarHBondContact O-N 2.85Å
223	G	93.3	Very high	96	Very high	75 Å²	75	69.9 Å²	69.9	77%	0.773	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	2.9	174.3	0	0	0	0	0	115.6	Q220	Q220-G223 PolarHBondContact O-N 3.01Å
224	E	90.9	Very high	96	Very high	109 Å²	109	70.8 Å²	70.8	51%	0.509	37%	0.369	S	S	.	.			trans	-118.1	136.3	179.7	-64.1	-171	160.8	0	0	111.4	G219 Q220	G219-E224 CarbonylContact C-O 3.45Å; G219-E224 WeakPolarHBondContact CA-O 3.42Å; G219-E224 PolarHBondContact N-O 3.01Å; G219-E224 PolarHBondContact O-N 3.05Å; Q220-E224 WeakPolarHBondContact CA-O 3.22Å; Q220-E224 PolarHBondContact N-O 3.28Å
225	Y	92.6	Very high	95.9	Very high	153 Å²	153	64.3 Å²	64.3	60%	0.6	34%	0.339	S	S	*	.			trans	-91.9	118	170.7	179.3	-111.1	0	0	0	110.6	Q220 N227	Q220-Y225 HydrophobicContact CG-CD2 4.01Å; Y225-N227 HydrophobicContact CD1-CB 4.33Å; Y225-N227 HydrophobicContact CE1-CB 3.65Å
226	V	93.8	Very high	95.9	Very high	22 Å²	22	64.9 Å²	64.9	13%	0.133	35%	0.345	C	S	.	.			trans	-96.6	110	169.4	-176.3	0	0	0	0	107.9	V192 N230 L231	V192-V226 HydrophobicContact CG1-CB 4.41Å; V192-V226 HydrophobicContact CG1-CG2 4.34Å; V226-N230 HydrophobicContact CG1-CB 4.31Å; V226-L231 HydrophobicContact CG1-CB 4.27Å; V226-L231 HydrophobicContact CG1-CD1 4.31Å
227	N	93.7	Very high	95.9	Very high	53 Å²	53	63.5 Å²	63.5	28%	0.283	34%	0.34	S	S	.	.			trans	-72.7	161.4	174.3	68.4	58	0	0	0	111.5	Y225 K229 N230 L231	Y225-N227 HydrophobicContact CD1-CB 4.33Å; Y225-N227 HydrophobicContact CE1-CB 3.65Å; N227-K229 PolarHBondContact O-N 2.87Å; N227-K229 WeakPolarHBondContact OD1-CB 3.33Å; N227-K229 PolarHBondContact OD1-N 3.12Å; N227-K229 VanDerWaalsContact OD1-N 3.07Å; N227-N230 PolarHBondContact ND2-ND2 3.46Å; N227-N230 VanDerWaalsContact ND2-ND2 3.12Å; N227-N230 PolarHBondContact O-N 3.36Å; N227-N230 PolarHBondContact OD1-N 3.36Å; N227-L231 PolarHBondContact O-N 2.93Å
228	D	91.5	Very high	95.9	Very high	139 Å²	139	61.7 Å²	61.7	74%	0.743	33%	0.329	S	S	*	.	H	α-helix	trans	-58	-33.7	-175.7	-60.4	-16.9	0	0	0	113.6	N230	D228-N230 VanDerWaalsContact C-N 3.3Å; D228-N230 PolarHBondContact O-N 3.44Å
229	K	95.9	Very high	96	Very high	182 Å²	182	61.8 Å²	61.8	79%	0.791	33%	0.33	S	S	*	.	H	α-helix	trans	-69.3	-29.3	178.5	-63.1	-177.1	179.8	179.7	0	112.4	N227 P233	N227-K229 PolarHBondContact O-N 2.87Å; N227-K229 WeakPolarHBondContact OD1-CB 3.33Å; N227-K229 PolarHBondContact OD1-N 3.12Å; N227-K229 VanDerWaalsContact OD1-N 3.07Å; K229-P233 WeakPolarHBondContact O-CD 3.47Å; K229-P233 WeakPolarHBondContact O-CG 3.36Å
230	N	96.8	Very high	96.1	Very high	82 Å²	82	61.7 Å²	61.7	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-96.1	-11.5	-177.7	-70.1	-15.3	0	0	0	112.9	V226 N227 D228 P233 T234	V226-N230 HydrophobicContact CG1-CB 4.31Å; N227-N230 PolarHBondContact ND2-ND2 3.46Å; N227-N230 VanDerWaalsContact ND2-ND2 3.12Å; N227-N230 PolarHBondContact O-N 3.36Å; N227-N230 PolarHBondContact OD1-N 3.36Å; D228-N230 VanDerWaalsContact C-N 3.3Å; D228-N230 PolarHBondContact O-N 3.44Å; N230-P233 WeakPolarHBondContact O-CD 3.29Å; N230-T234 VanDerWaalsContact O-CB 3.32Å; N230-T234 WeakPolarHBondContact O-CB 3.31Å; N230-T234 PolarHBondContact O-N 2.96Å; N230-T234 PolarHBondContact O-OG1 2.86Å
231	L	97.5	Very high	96.2	Very high	34 Å²	34	56.5 Å²	56.5	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-57	-177.1	-179.6	60	0	0	0	112.7	V192 V226 N227 T234 I235	V192-L231 HydrophobicContact CB-CD1 4.11Å; V192-L231 HydrophobicContact CG1-CD1 3.77Å; V192-L231 HydrophobicContact CG2-CD1 4.05Å; V226-L231 HydrophobicContact CG1-CB 4.27Å; V226-L231 HydrophobicContact CG1-CD1 4.31Å; N227-L231 PolarHBondContact O-N 2.93Å; L231-T234 PolarHBondContact O-N 3.44Å; L231-I235 HydrophobicContact CD1-CD1 3.82Å; L231-I235 HydrophobicContact CD1-CG1 4.45Å; L231-I235 HydrophobicContact CG-CD1 4.02Å; L231-I235 VanDerWaalsContact O-CG1 3.28Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 2.65Å; L231-I235 VanDerWaalsContact O-N 3.1Å
232	I	98	Very high	96.4	Very high	47 Å²	47	55 Å²	55	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-45.8	-179.9	-57.9	-56.2	0	0	0	111.8	T234 I235 S236 N259 L262 A263	I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.26Å; I232-I235 PolarHBondContact O-N 3.04Å; I232-S236 WeakPolarHBondContact O-CB 3.16Å; I232-S236 PolarHBondContact O-N 2.97Å; I232-N259 HydrophobicContact CD1-CB 3.73Å; I232-L262 HydrophobicContact CD1-CB 4.05Å; I232-L262 HydrophobicContact CD1-CD1 4.43Å; I232-L262 HydrophobicContact CG2-CB 4.34Å; I232-A263 HydrophobicContact CG2-CB 4.03Å
233	P	97.6	Very high	96.5	Very high	68 Å²	68	52 Å²	52	44%	0.442	28%	0.279	S	S	.	.	H	α-helix	trans	-55.8	-38.8	172.1	-29.2	35.8	0	0	0	114.6	K229 N230 S236	K229-P233 WeakPolarHBondContact O-CD 3.47Å; K229-P233 WeakPolarHBondContact O-CG 3.36Å; N230-P233 WeakPolarHBondContact O-CD 3.29Å; P233-S236 PolarHBondContact O-N 3.26Å; P233-S236 PolarHBondContact O-OG 3.14Å
234	T	97.5	Very high	96.8	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.172	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-48.1	176.8	-67.2	0	0	0	0	110.9	V192 Y218 N230 L231 I232 S236 T237	V192-T234 HydrophobicContact CG2-CG2 4.49Å; Y218-T234 HydrophobicContact CD1-CG2 4Å; Y218-T234 HydrophobicContact CD2-CG2 3.62Å; Y218-T234 HydrophobicContact CE1-CG2 4.1Å; Y218-T234 HydrophobicContact CE2-CG2 3.72Å; Y218-T234 HydrophobicContact CG-CG2 3.77Å; N230-T234 VanDerWaalsContact O-CB 3.32Å; N230-T234 WeakPolarHBondContact O-CB 3.31Å; N230-T234 PolarHBondContact O-N 2.96Å; N230-T234 PolarHBondContact O-OG1 2.86Å; L231-T234 PolarHBondContact O-N 3.44Å; I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.26Å; T234-S236 VanDerWaalsContact C-N 3.27Å; T234-S236 PolarHBondContact O-N 3.37Å; T234-T237 PolarHBondContact O-N 2.84Å; T234-T237 PolarHBondContact O-OG1 3.01Å
235	I	98.3	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-33	-179.6	-61.7	166.6	0	0	0	111.3	V192 L231 I232 T237 C238 Y241 N259 A263 S265	V192-I235 HydrophobicContact CG2-CG1 4.06Å; L231-I235 HydrophobicContact CD1-CD1 3.82Å; L231-I235 HydrophobicContact CD1-CG1 4.45Å; L231-I235 HydrophobicContact CG-CD1 4.02Å; L231-I235 VanDerWaalsContact O-CG1 3.28Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 2.65Å; L231-I235 VanDerWaalsContact O-N 3.1Å; I232-I235 PolarHBondContact O-N 3.04Å; I235-T237 PolarHBondContact O-N 3.18Å; I235-C238 PolarHBondContact O-N 3.43Å; I235-C238 VanDerWaalsContact O-N 3.09Å; I235-Y241 HydrophobicContact CB-CD2 4.34Å; I235-Y241 HydrophobicContact CD1-CD1 4.32Å; I235-Y241 HydrophobicContact CD1-CD2 4.25Å; I235-Y241 HydrophobicContact CD1-CE1 3.86Å; I235-Y241 HydrophobicContact CD1-CE2 3.78Å; I235-Y241 HydrophobicContact CG1-CD2 3.85Å; I235-Y241 HydrophobicContact CG1-CE2 3.63Å; I235-Y241 HydrophobicContact CG1-CG 4.38Å; I235-Y241 HydrophobicContact CG2-CD1 4.05Å; I235-Y241 HydrophobicContact CG2-CD2 3.66Å; I235-Y241 HydrophobicContact CG2-CE2 4.29Å; I235-Y241 HydrophobicContact CG2-CG 3.52Å; I235-N259 HydrophobicContact CD1-CB 3.91Å; I235-A263 HydrophobicContact CB-CB 3.68Å; I235-A263 HydrophobicContact CG2-CB 3.45Å; I235-A263 VanDerWaalsContact CG2-CB 3.45Å; I235-S265 PolarHBondContact O-OG 3.12Å
236	S	98.1	Very high	97.3	Very high	30 Å²	30	37.4 Å²	37.4	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-20.6	-176.4	75	0	0	0	0	112.9	K185 I232 P233 T234 C238 A263	K185-S236 WeakPolarHBondContact CD-O 3.28Å; K185-S236 PolarHBondContact NZ-O 3.06Å; I232-S236 WeakPolarHBondContact O-CB 3.16Å; I232-S236 PolarHBondContact O-N 2.97Å; P233-S236 PolarHBondContact O-N 3.26Å; P233-S236 PolarHBondContact O-OG 3.14Å; T234-S236 VanDerWaalsContact C-N 3.27Å; T234-S236 PolarHBondContact O-N 3.37Å; S236-C238 PolarHBondContact O-N 3.05Å; S236-A263 WeakPolarHBondContact CA-O 3.47Å; S236-A263 VanDerWaalsContact CB-O 3.22Å; S236-A263 WeakPolarHBondContact CB-O 3.48Å
237	T	98.1	Very high	97.4	Very high	25 Å²	25	37 Å²	37	15%	0.153	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.8	174.3	69.7	0	0	0	0	113.8	E186 K187 T234 I235	E186-T237 PolarHBondContact N-O 2.9Å; K187-T237 PolarHBondContact N-O 2.81Å; K187-T237 PolarHBondContact NZ-OG1 3.05Å; T234-T237 PolarHBondContact O-N 2.84Å; T234-T237 PolarHBondContact O-OG1 3.01Å; I235-T237 PolarHBondContact O-N 3.18Å
238	C	98.6	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.9	-169.9	-36.1	0	0	0	0	111.8	K185 K187 C190 I235 S236 S265	K185-C238 WeakPolarHBondContact CD-O 3.27Å; K185-C238 WeakPolarHBondContact CE-O 3.18Å; K185-C238 PolarHBondContact NZ-O 2.65Å; K187-C238 HydrophobicContact CB-CB 4.29Å; K187-C238 CarbonylContact O-C 3.14Å; K187-C238 VanDerWaalsContact O-CA 3.27Å; K187-C238 WeakPolarHBondContact O-CA 3.38Å; C190-C238 HydrophobicContact CB-CB 3.58Å; C190-C238 WeakPolarHBondContact CB-SG 3.43Å; C190-C238 WeakPolarHBondContact SG-CB 3.44Å; C190-C238 CovalentContact SG-SG 1.99Å; C190-C238 PolarHBondContact SG-SG 3.27Å; I235-C238 PolarHBondContact O-N 3.43Å; I235-C238 VanDerWaalsContact O-N 3.09Å; S236-C238 PolarHBondContact O-N 3.05Å; C238-S265 WeakPolarHBondContact O-CB 3.19Å; C238-S265 PolarHBondContact O-OG 2.78Å
239	K	98.7	Very high	97.9	Very high	38 Å²	38	34.3 Å²	34.3	17%	0.165	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-46.6	174.4	-78.5	-173.1	174.3	-179	0	111.6	K185 K187 L188 V266 D306 Y312	K185-K239 HydrophobicContact CB-CG 3.82Å; K185-K239 HydrophobicContact CG-CG 3.76Å; K187-K239 PolarHBondContact O-N 2.83Å; L188-K239 HydrophobicContact CD1-CB 4.47Å; L188-K239 HydrophobicContact CD1-CD 4.3Å; L188-K239 PolarHBondContact O-N 3.02Å; K239-V266 PolarHBondContact O-N 3.08Å; K239-D306 VanDerWaalsContact CD-OD1 3.26Å; K239-D306 WeakPolarHBondContact CD-OD1 3.37Å; K239-D306 WeakPolarHBondContact CE-OD1 3.44Å; K239-D306 PolarHBondContact NZ-O 3.21Å; K239-D306 VanDerWaalsContact NZ-O 3.08Å; K239-D306 IonicContact NZ-OD1 2.85Å; K239-D306 PolarHBondContact NZ-OD1 3.05Å; K239-Y312 HydrophobicContact CB-CE2 3.78Å; K239-Y312 HydrophobicContact CD-CD2 4.41Å; K239-Y312 HydrophobicContact CD-CE2 4.17Å; K239-Y312 HydrophobicContact CG-CE2 3.85Å
240	F	98.9	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.2	-178.9	-54.1	-74.5	0	0	0	110.4	L188 V189 C190 V266 V268 I287 L302 V305 Y312	L188-F240 HydrophobicContact CD1-CD2 3.76Å; L188-F240 HydrophobicContact CD1-CE2 3.61Å; L188-F240 HydrophobicContact CG-CD2 4.32Å; L188-F240 WeakPolarHBondContact O-CD2 3.37Å; L188-F240 PolarHBondContact O-N 2.72Å; V189-F240 WeakPolarHBondContact CA-O 3.32Å; V189-F240 HydrophobicContact CG2-CB 4.3Å; V189-F240 HydrophobicContact CG2-CD2 4.38Å; C190-F240 PolarHBondContact N-O 3.36Å; F240-V266 WeakPolarHBondContact CA-O 2.9Å; F240-V266 HydrophobicContact CD1-CB 3.8Å; F240-V266 HydrophobicContact CD1-CG1 4.21Å; F240-V266 HydrophobicContact CE1-CB 4.08Å; F240-V266 HydrophobicContact CE1-CG1 4.35Å; F240-V266 HydrophobicContact CE1-CG2 4.41Å; F240-V268 HydrophobicContact CB-CG2 4.04Å; F240-V268 HydrophobicContact CD1-CG2 4.36Å; F240-I287 HydrophobicContact CD1-CD1 4.05Å; F240-I287 HydrophobicContact CE1-CD1 3.85Å; F240-L302 HydrophobicContact CD1-CD2 3.69Å; F240-L302 HydrophobicContact CD2-CB 4.28Å; F240-L302 HydrophobicContact CD2-CD2 4.14Å; F240-L302 HydrophobicContact CE1-CD2 3.85Å; F240-L302 HydrophobicContact CE2-CB 4.17Å; F240-L302 HydrophobicContact CE2-CD2 4.27Å; F240-L302 WeakPolarHBondContact CE2-O 3.42Å; F240-L302 HydrophobicContact CG-CD2 3.85Å; F240-L302 HydrophobicContact CZ-CD2 4.15Å; F240-V305 HydrophobicContact CE1-CB 4.39Å; F240-V305 HydrophobicContact CE1-CG1 3.98Å; F240-V305 HydrophobicContact CZ-CB 3.78Å; F240-V305 HydrophobicContact CZ-CG1 3.61Å; F240-Y312 HydrophobicContact CZ-CD2 4.39Å
241	Y	98.9	Very high	98.1	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.02	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	174	-179.3	-118.2	0	0	0	109.8	C190 V192 I235 S243 K256 A260 V266 V268	C190-Y241 HydrophobicContact CB-CD2 4.49Å; C190-Y241 WeakPolarHBondContact O-CD2 3.32Å; V192-Y241 HydrophobicContact CB-CE2 4.2Å; V192-Y241 HydrophobicContact CG2-CE2 3.89Å; I235-Y241 HydrophobicContact CB-CD2 4.34Å; I235-Y241 HydrophobicContact CD1-CD1 4.32Å; I235-Y241 HydrophobicContact CD1-CD2 4.25Å; I235-Y241 HydrophobicContact CD1-CE1 3.86Å; I235-Y241 HydrophobicContact CD1-CE2 3.78Å; I235-Y241 HydrophobicContact CG1-CD2 3.85Å; I235-Y241 HydrophobicContact CG1-CE2 3.63Å; I235-Y241 HydrophobicContact CG1-CG 4.38Å; I235-Y241 HydrophobicContact CG2-CD1 4.05Å; I235-Y241 HydrophobicContact CG2-CD2 3.66Å; I235-Y241 HydrophobicContact CG2-CE2 4.29Å; I235-Y241 HydrophobicContact CG2-CG 3.52Å; Y241-S243 VanDerWaalsContact CD1-OG 3.29Å; Y241-S243 WeakPolarHBondContact CD1-OG 3.36Å; Y241-S243 PolarHBondContact O-N 3.13Å; Y241-K256 WeakPolarHBondContact CE1-O 3.4Å; Y241-A260 HydrophobicContact CD1-CB 3.79Å; Y241-A260 HydrophobicContact CG-CB 4.41Å; Y241-V266 PolarHBondContact N-O 2.77Å; Y241-V268 PolarHBondContact O-N 2.83Å
242	L	98.9	Very high	98.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	90.5	175.9	-57.5	-170.3	0	0	0	109.5	V189 C190 W191 Y206 L209 I215 F244 V268	V189-L242 HydrophobicContact CG1-CD1 4.21Å; V189-L242 HydrophobicContact CG1-CD2 3.65Å; V189-L242 HydrophobicContact CG1-CG 3.71Å; C190-L242 PolarHBondContact O-N 3.26Å; W191-L242 HydrophobicContact CB-CB 4.04Å; W191-L242 HydrophobicContact CB-CD1 4.05Å; W191-L242 HydrophobicContact CB-CG 4.26Å; W191-L242 HydrophobicContact CD2-CD1 4.38Å; W191-L242 HydrophobicContact CG-CB 3.8Å; W191-L242 HydrophobicContact CG-CD1 4.1Å; W191-L242 HydrophobicContact CG-CG 4.4Å; W191-L242 PolarHBondContact NE1-O 2.79Å; Y206-L242 HydrophobicContact CD2-CD1 4.5Å; L209-L242 HydrophobicContact CD2-CD1 4.08Å; L209-L242 HydrophobicContact CD2-CD2 4.07Å; I215-L242 HydrophobicContact CD1-CD1 4.07Å; I215-L242 HydrophobicContact CG2-CD1 4.06Å; L242-F244 HydrophobicContact CB-CD1 4.17Å; L242-F244 HydrophobicContact CB-CD2 4.35Å; L242-F244 HydrophobicContact CB-CE1 4.14Å; L242-F244 HydrophobicContact CB-CE2 4.33Å; L242-F244 HydrophobicContact CB-CG 4.28Å; L242-F244 HydrophobicContact CB-CZ 4.23Å; L242-F244 HydrophobicContact CD1-CE2 3.94Å; L242-F244 HydrophobicContact CD1-CZ 4.08Å; L242-F244 HydrophobicContact CD2-CE1 4.1Å; L242-F244 HydrophobicContact CD2-CZ 3.91Å; L242-F244 HydrophobicContact CG-CZ 4.29Å; L242-F244 PolarHBondContact O-N 3.5Å; L242-V268 CarbonylContact C-O 3.54Å; L242-V268 HydrophobicContact CD2-CB 3.78Å; L242-V268 HydrophobicContact CD2-CG1 4.01Å; L242-V268 HydrophobicContact CD2-CG2 4.25Å
243	S	98.8	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	51.5	175.6	-63	0	0	0	0	111	Y241 K256 V268	Y241-S243 VanDerWaalsContact CD1-OG 3.29Å; Y241-S243 WeakPolarHBondContact CD1-OG 3.36Å; Y241-S243 PolarHBondContact O-N 3.13Å; S243-K256 PolarHBondContact OG-O 3.44Å; S243-V268 PolarHBondContact N-O 2.86Å
244	F	98.7	Very high	98.2	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.3	-176.4	-65.1	-7	0	0	0	111.7	W191 R202 Y205 L242 K256 V268 L270 V289	W191-F244 HydrophobicContact CZ2-CB 4.49Å; W191-F244 HydrophobicContact CZ2-CD2 4.13Å; R202-F244 HydrophobicContact CB-CB 3.62Å; R202-F244 HydrophobicContact CB-CD2 3.97Å; R202-F244 HydrophobicContact CB-CG 4.24Å; Y205-F244 AromaticContact CD1-CE2 3.85Å; Y205-F244 HydrophobicContact CD1-CE2 3.85Å; Y205-F244 AromaticContact CD1-CZ 3.71Å; Y205-F244 HydrophobicContact CD1-CZ 3.71Å; Y205-F244 HydrophobicContact CE1-CZ 4.14Å; Y205-F244 HydrophobicContact CG-CE2 4.49Å; L242-F244 HydrophobicContact CB-CD1 4.17Å; L242-F244 HydrophobicContact CB-CD2 4.35Å; L242-F244 HydrophobicContact CB-CE1 4.14Å; L242-F244 HydrophobicContact CB-CE2 4.33Å; L242-F244 HydrophobicContact CB-CG 4.28Å; L242-F244 HydrophobicContact CB-CZ 4.23Å; L242-F244 HydrophobicContact CD1-CE2 3.94Å; L242-F244 HydrophobicContact CD1-CZ 4.08Å; L242-F244 HydrophobicContact CD2-CE1 4.1Å; L242-F244 HydrophobicContact CD2-CZ 3.91Å; L242-F244 HydrophobicContact CG-CZ 4.29Å; L242-F244 PolarHBondContact O-N 3.5Å; F244-K256 VanDerWaalsContact O-CD 3.25Å; F244-K256 WeakPolarHBondContact O-CD 3.47Å; F244-V268 WeakPolarHBondContact CD1-O 3.23Å; F244-V268 HydrophobicContact CE1-CG1 4.1Å; F244-V268 WeakPolarHBondContact CE1-O 3.45Å; F244-L270 HydrophobicContact CB-CB 4.17Å; F244-L270 HydrophobicContact CD1-CB 3.41Å; F244-L270 VanDerWaalsContact CD1-CB 3.41Å; F244-L270 HydrophobicContact CD2-CB 4.48Å; F244-L270 HydrophobicContact CD2-CD1 4.42Å; F244-L270 HydrophobicContact CE1-CB 3.81Å; F244-L270 HydrophobicContact CE2-CD1 4.46Å; F244-L270 HydrophobicContact CG-CB 3.78Å; F244-L270 HydrophobicContact CG-CD1 4.49Å; F244-L270 HydrophobicContact CZ-CB 4.49Å; F244-V289 HydrophobicContact CE1-CG1 3.75Å; F244-V289 HydrophobicContact CZ-CG1 3.98Å
245	E	98.2	Very high	98.2	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.11	C	C	.	.			trans	-73.1	155.1	-178.6	-65.9	-60.1	166.8	0	0	113	R202 S247 Y252 T254 K256 L270	R202-E245 WeakPolarHBondContact CD-O 3.37Å; E245-S247 PolarHBondContact O-N 3.5Å; E245-Y252 HydrophobicContact CB-CD1 4.4Å; E245-T254 PolarHBondContact OE1-N 2.76Å; E245-T254 PolarHBondContact OE1-OG1 2.94Å; E245-T254 WeakPolarHBondContact OE2-CB 3.43Å; E245-T254 WeakPolarHBondContact OE2-CG2 3.44Å; E245-T254 PolarHBondContact OE2-OG1 2.92Å; E245-K256 IonicContact OE2-NZ 2.67Å; E245-L270 WeakPolarHBondContact CB-O 3.36Å; E245-L270 PolarHBondContact N-O 3.43Å
246	N	96.7	Very high	98.2	Very high	28 Å²	28	23.2 Å²	23.2	15%	0.15	12%	0.115	C	C	.	.	S	Bend	trans	-63.7	-25.2	178.2	-65.1	-20.1	0	0	0	111.9	H141 H200 R202	H141-N246 PolarHBondContact CE1-O 3.21Å; H200-N246 PolarHBondContact CE1-O 2.55Å; H200-N246 PolarHBondContact ND1-O 3.37Å; R202-N246 VanDerWaalsContact CZ-OD1 3.27Å; R202-N246 PolarHBondContact NH1-OD1 3.06Å; R202-N246 PolarHBondContact NH2-OD1 3.03Å
247	S	96.7	Very high	98.2	Very high	13 Å²	13	21.8 Å²	21.8	9%	0.091	11%	0.105	C	C	.	.	S	Bend	trans	-162.4	159.5	-176.5	51.7	0	0	0	0	110.4	S138 E245	S138-S247 WeakPolarHBondContact CB-OG 3.37Å; S138-S247 PolarHBondContact OG-OG 3.48Å; E245-S247 PolarHBondContact O-N 3.5Å
248	I	97.6	Very high	98.2	Very high	89 Å²	89	20.7 Å²	20.7	46%	0.456	10%	0.098	S	C	.	.			trans	-99.4	106.4	-179	-62.7	170.4	0	0	0	108.9	A201 L270 G271	A201-I248 HydrophobicContact CB-CD1 4.02Å; I248-L270 HydrophobicContact CD1-CD2 4.11Å; I248-L270 HydrophobicContact CG1-CD2 4.15Å; I248-G271 WeakPolarHBondContact CG1-O 3.46Å; I248-G271 WeakPolarHBondContact CG2-O 3.44Å
249	H	97.7	Very high	98.2	Very high	47 Å²	47	21.3 Å²	21.3	22%	0.218	10%	0.101	C	C	.	.			trans	-146.1	147.7	178.5	-75.5	-76.5	0	0	0	110.6	T140 D251 Y252 P272	T140-H249 PolarHBondContact N-NE2 3.32Å; T140-H249 PolarHBondContact OG1-NE2 3.01Å; H249-D251 PolarHBondContact O-N 3.25Å; H249-Y252 WeakPolarHBondContact O-CB 3.36Å; H249-Y252 PolarHBondContact O-N 3.27Å; H249-Y252 VanDerWaalsContact O-N 3.11Å; H249-P272 WeakPolarHBondContact O-CB 3.02Å
250	K	97.4	Very high	98.2	Very high	111 Å²	111	19.5 Å²	19.5	48%	0.483	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	133.3	177	179.9	-175	172.8	-169.5	0	110.5	Y158 D161 Y252 N276	Y158-K250 WeakPolarHBondContact CE2-O 3.24Å; D161-K250 IonicContact OD2-NZ 2.65Å; D161-K250 PolarHBondContact OD2-NZ 3.09Å; D161-K250 VanDerWaalsContact OD2-NZ 3.15Å; K250-Y252 PolarHBondContact O-N 3.12Å; K250-N276 WeakPolarHBondContact CA-OD1 3.38Å
251	D	98.2	Very high	98.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-1.6	177.6	-62.8	-20.8	0	0	0	115.5	Y158 R159 R160 H249 I253 N276 Y280	Y158-D251 HydrophobicContact CD2-CB 4.15Å; Y158-D251 WeakPolarHBondContact CD2-O 3.02Å; Y158-D251 HydrophobicContact CE2-CB 4.4Å; R159-D251 HydrophobicContact CB-CB 4.45Å; R159-D251 HydrophobicContact CG-CB 4.32Å; R160-D251 PolarHBondContact N-OD2 2.85Å; H249-D251 PolarHBondContact O-N 3.25Å; D251-I253 VanDerWaalsContact C-N 3.32Å; D251-I253 PolarHBondContact O-N 3.07Å; D251-N276 PolarHBondContact N-OD1 3.16Å; D251-N276 PolarHBondContact OD1-ND2 3.04Å; D251-Y280 WeakPolarHBondContact CB-OH 3.37Å; D251-Y280 PolarHBondContact OD1-OH 3.31Å
252	Y	98.5	Very high	98.1	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.012	11%	0.112	C	C	.	.			trans	-78.6	82.5	-178.1	-169.3	-109.9	0	0	0	110.9	L136 Y158 Y168 E245 H249 K250 T254 P272	L136-Y252 WeakPolarHBondContact O-CE2 3.42Å; Y158-Y252 AromaticContact CD1-CD2 3.86Å; Y158-Y252 HydrophobicContact CD1-CD2 3.86Å; Y158-Y252 HydrophobicContact CD1-CE2 4.29Å; Y158-Y252 HydrophobicContact CD2-CD2 4.17Å; Y158-Y252 AromaticContact CE1-CD2 3.47Å; Y158-Y252 HydrophobicContact CE1-CD2 3.47Å; Y158-Y252 VanDerWaalsContact CE1-CD2 3.47Å; Y158-Y252 AromaticContact CE1-CE2 3.97Å; Y158-Y252 HydrophobicContact CE1-CE2 3.97Å; Y158-Y252 AromaticContact CE2-CD2 3.78Å; Y158-Y252 HydrophobicContact CE2-CD2 3.78Å; Y158-Y252 HydrophobicContact CE2-CG 4.23Å; Y158-Y252 HydrophobicContact CG-CD2 4.21Å; Y158-Y252 AromaticContact CZ-CD2 3.42Å; Y158-Y252 VanDerWaalsContact CZ-CD2 3.42Å; Y168-Y252 HydrophobicContact CE2-CE2 4.27Å; E245-Y252 HydrophobicContact CB-CD1 4.4Å; H249-Y252 WeakPolarHBondContact O-CB 3.36Å; H249-Y252 PolarHBondContact O-N 3.27Å; H249-Y252 VanDerWaalsContact O-N 3.11Å; K250-Y252 PolarHBondContact O-N 3.12Å; Y252-T254 HydrophobicContact CD1-CG2 4.2Å; Y252-T254 HydrophobicContact CD2-CG2 4.34Å; Y252-T254 HydrophobicContact CE1-CG2 3.67Å; Y252-T254 HydrophobicContact CE2-CG2 3.85Å; Y252-T254 VanDerWaalsContact CZ-CG2 3.49Å; Y252-P272 WeakPolarHBondContact O-CD 3.43Å
253	I	98.5	Very high	98	Very high	3 Å²	3	23 Å²	23	2%	0.015	11%	0.113	C	C	.	.			trans	-121.3	111.7	179	-61	171.8	0	0	0	107.1	D251 L257 Y258 P272 Y277 Y280	D251-I253 VanDerWaalsContact C-N 3.32Å; D251-I253 PolarHBondContact O-N 3.07Å; I253-L257 HydrophobicContact CG2-CB 3.94Å; I253-L257 HydrophobicContact CG2-CD2 3.29Å; I253-L257 HydrophobicContact CG2-CG 4.26Å; I253-Y258 HydrophobicContact CG2-CE2 4.27Å; I253-P272 HydrophobicContact CD1-CG 4.26Å; I253-P272 HydrophobicContact CG1-CG 3.83Å; I253-Y277 HydrophobicContact CB-CE1 4.37Å; I253-Y277 HydrophobicContact CD1-CD1 3.6Å; I253-Y277 HydrophobicContact CD1-CE1 3.88Å; I253-Y277 HydrophobicContact CD1-CG 4.05Å; I253-Y277 HydrophobicContact CG1-CD1 3.99Å; I253-Y277 HydrophobicContact CG1-CE1 3.7Å; I253-Y277 HydrophobicContact CG2-CD1 4.32Å; I253-Y277 HydrophobicContact CG2-CE1 3.87Å; I253-Y280 HydrophobicContact CD1-CD2 3.62Å; I253-Y280 HydrophobicContact CD1-CE2 4.02Å; I253-Y280 HydrophobicContact CD1-CG 3.99Å
254	T	98.4	Very high	98	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.113	C	C	.	.			trans	-99.1	-172.9	-167.3	70.5	0	0	0	0	112.6	Y168 E245 Y252 K256 L257 Y258	Y168-T254 HydrophobicContact CD2-CG2 4.08Å; Y168-T254 HydrophobicContact CE2-CG2 4.02Å; Y168-T254 HydrophobicContact CG-CG2 4.47Å; E245-T254 PolarHBondContact OE1-N 2.76Å; E245-T254 PolarHBondContact OE1-OG1 2.94Å; E245-T254 WeakPolarHBondContact OE2-CB 3.43Å; E245-T254 WeakPolarHBondContact OE2-CG2 3.44Å; E245-T254 PolarHBondContact OE2-OG1 2.92Å; Y252-T254 HydrophobicContact CD1-CG2 4.2Å; Y252-T254 HydrophobicContact CD2-CG2 4.34Å; Y252-T254 HydrophobicContact CE1-CG2 3.67Å; Y252-T254 HydrophobicContact CE2-CG2 3.85Å; Y252-T254 VanDerWaalsContact CZ-CG2 3.49Å; T254-K256 PolarHBondContact O-N 2.98Å; T254-K256 PolarHBondContact OG1-NZ 2.96Å; T254-L257 PolarHBondContact O-N 3.17Å; T254-Y258 VanDerWaalsContact O-CD2 3.29Å; T254-Y258 WeakPolarHBondContact O-CD2 3.29Å
255	E	97.7	Very high	98	Very high	64 Å²	64	23 Å²	23	30%	0.299	11%	0.113	S	C	.	.	H	α-helix	trans	-55.6	-23.3	175.3	74.5	-66.3	153.7	0	0	112.6	L257 Y258 N259	E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 3.36Å; E255-Y258 CarbonylContact O-C 3.59Å; E255-Y258 PolarHBondContact O-N 3.02Å; E255-Y258 VanDerWaalsContact O-N 3.13Å; E255-N259 VanDerWaalsContact O-CB 3.31Å; E255-N259 WeakPolarHBondContact O-CB 3.16Å; E255-N259 PolarHBondContact O-N 2.94Å; E255-N259 PolarHBondContact O-ND2 3.16Å; E255-N259 PolarHBondContact O-OD1 2.72Å
256	K	98.3	Very high	98	Very high	23 Å²	23	23 Å²	23	10%	0.1	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-38.9	-177.7	-68	168.6	-159.2	59.8	0	112.9	Y241 S243 F244 E245 T254 A260	Y241-K256 WeakPolarHBondContact CE1-O 3.4Å; S243-K256 PolarHBondContact OG-O 3.44Å; F244-K256 VanDerWaalsContact O-CD 3.25Å; F244-K256 WeakPolarHBondContact O-CD 3.47Å; E245-K256 IonicContact OE2-NZ 2.67Å; T254-K256 PolarHBondContact O-N 2.98Å; T254-K256 PolarHBondContact OG1-NZ 2.96Å; K256-A260 PolarHBondContact O-N 3.09Å
257	L	98.8	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.1	-52.1	174.4	172.5	67.1	0	0	0	110.2	I253 T254 E255 N259 A260 F261 P267 V269 Y277 I281	I253-L257 HydrophobicContact CG2-CB 3.94Å; I253-L257 HydrophobicContact CG2-CD2 3.29Å; I253-L257 HydrophobicContact CG2-CG 4.26Å; T254-L257 PolarHBondContact O-N 3.17Å; E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 3.36Å; L257-N259 VanDerWaalsContact C-N 3.31Å; L257-N259 PolarHBondContact O-N 2.84Å; L257-A260 VanDerWaalsContact O-CB 3.24Å; L257-A260 WeakPolarHBondContact O-CB 3.26Å; L257-A260 PolarHBondContact O-N 3.36Å; L257-A260 VanDerWaalsContact O-N 3.13Å; L257-F261 HydrophobicContact CD1-CE1 4.5Å; L257-F261 HydrophobicContact CD1-CZ 4.27Å; L257-F261 PolarHBondContact O-N 2.73Å; L257-P267 HydrophobicContact CD1-CB 3.73Å; L257-P267 HydrophobicContact CD1-CG 3.67Å; L257-V269 HydrophobicContact CD1-CG1 3.88Å; L257-Y277 HydrophobicContact CD2-CD1 4.27Å; L257-Y277 HydrophobicContact CD2-CE1 4.29Å; L257-I281 HydrophobicContact CD1-CD1 3.83Å; L257-I281 HydrophobicContact CD2-CD1 3.89Å; L257-I281 HydrophobicContact CD2-CG2 4.03Å; L257-I281 HydrophobicContact CG-CD1 4.43Å
258	Y	98.5	Very high	98.2	Very high	1 Å²	1	21 Å²	21	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-69.9	-28	-174.7	-58.1	-72.1	0	0	0	112.8	G169 I253 T254 E255 A260 F261 L262 V324 L326	G169-Y258 VanDerWaalsContact C-CE1 3.49Å; G169-Y258 VanDerWaalsContact C-CE2 3.49Å; G169-Y258 PolarHBondContact O-OH 2.91Å; I253-Y258 HydrophobicContact CG2-CE2 4.27Å; T254-Y258 VanDerWaalsContact O-CD2 3.29Å; T254-Y258 WeakPolarHBondContact O-CD2 3.29Å; E255-Y258 CarbonylContact O-C 3.59Å; E255-Y258 PolarHBondContact O-N 3.02Å; E255-Y258 VanDerWaalsContact O-N 3.13Å; Y258-A260 VanDerWaalsContact C-N 3.33Å; Y258-F261 HydrophobicContact CD1-CD2 4.37Å; Y258-F261 PolarHBondContact O-N 3.07Å; Y258-L262 WeakPolarHBondContact O-CB 3.24Å; Y258-L262 VanDerWaalsContact O-CG 3.28Å; Y258-L262 WeakPolarHBondContact O-CG 3.47Å; Y258-L262 PolarHBondContact O-N 2.85Å; Y258-V324 HydrophobicContact CD1-CG1 3.92Å; Y258-V324 HydrophobicContact CG-CG1 4.33Å; Y258-L326 HydrophobicContact CD2-CD2 4.41Å; Y258-L326 HydrophobicContact CG-CD2 4.05Å
259	N	98.4	Very high	98.3	Very high	13 Å²	13	16.8 Å²	16.8	7%	0.07	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-40.5	171.2	-71.4	-18.2	0	0	0	111.2	I232 I235 E255 L257 F261 L262 A263	I232-N259 HydrophobicContact CD1-CB 3.73Å; I235-N259 HydrophobicContact CD1-CB 3.91Å; E255-N259 VanDerWaalsContact O-CB 3.31Å; E255-N259 WeakPolarHBondContact O-CB 3.16Å; E255-N259 PolarHBondContact O-N 2.94Å; E255-N259 PolarHBondContact O-ND2 3.16Å; E255-N259 PolarHBondContact O-OD1 2.72Å; L257-N259 VanDerWaalsContact C-N 3.31Å; L257-N259 PolarHBondContact O-N 2.84Å; N259-F261 VanDerWaalsContact C-N 3.35Å; N259-L262 PolarHBondContact O-N 2.86Å; N259-A263 WeakPolarHBondContact O-CB 3.41Å; N259-A263 PolarHBondContact O-N 3.25Å
260	A	98.6	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-49	174	0	0	0	0	0	110.6	Y241 K256 L257 Y258 A263 G264 S265 P267	Y241-A260 HydrophobicContact CD1-CB 3.79Å; Y241-A260 HydrophobicContact CG-CB 4.41Å; K256-A260 PolarHBondContact O-N 3.09Å; L257-A260 VanDerWaalsContact O-CB 3.24Å; L257-A260 WeakPolarHBondContact O-CB 3.26Å; L257-A260 PolarHBondContact O-N 3.36Å; L257-A260 VanDerWaalsContact O-N 3.13Å; Y258-A260 VanDerWaalsContact C-N 3.33Å; A260-A263 PolarHBondContact O-N 3.04Å; A260-G264 PolarHBondContact O-N 3.11Å; A260-S265 CarbonylContact C-O 3.57Å; A260-S265 PolarHBondContact O-N 3.07Å; A260-S265 VanDerWaalsContact O-O 3.07Å; A260-P267 HydrophobicContact CB-CB 3.62Å; A260-P267 HydrophobicContact CB-CG 4.18Å
261	F	98	Very high	98.4	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.009	5%	0.05	C	C	.	.	H	α-helix	trans	-58.8	-55.2	177.5	-72.5	-11.8	0	0	0	110.9	L171 L257 Y258 N259 A263 G264 P267 I281 S285 W318 R319 V324	L171-F261 HydrophobicContact CD1-CE2 4.31Å; L171-F261 HydrophobicContact CD2-CD2 4.1Å; L171-F261 HydrophobicContact CD2-CE2 4.17Å; L257-F261 HydrophobicContact CD1-CE1 4.5Å; L257-F261 HydrophobicContact CD1-CZ 4.27Å; L257-F261 PolarHBondContact O-N 2.73Å; Y258-F261 HydrophobicContact CD1-CD2 4.37Å; Y258-F261 PolarHBondContact O-N 3.07Å; N259-F261 VanDerWaalsContact C-N 3.35Å; F261-A263 PolarHBondContact O-N 3.11Å; F261-G264 PolarHBondContact O-N 3.07Å; F261-P267 HydrophobicContact CD1-CG 3.92Å; F261-P267 HydrophobicContact CE1-CG 3.46Å; F261-P267 VanDerWaalsContact CE1-CG 3.46Å; F261-P267 HydrophobicContact CZ-CG 4.3Å; F261-I281 HydrophobicContact CE2-CB 4.26Å; F261-I281 HydrophobicContact CE2-CD1 4.44Å; F261-I281 HydrophobicContact CE2-CG2 3.69Å; F261-I281 HydrophobicContact CZ-CB 4.26Å; F261-I281 HydrophobicContact CZ-CD1 3.89Å; F261-I281 HydrophobicContact CZ-CG2 4.14Å; F261-S285 WeakPolarHBondContact CE1-O 3.26Å; F261-W318 HydrophobicContact CB-CH2 3.82Å; F261-W318 HydrophobicContact CB-CZ2 3.81Å; F261-W318 HydrophobicContact CD1-CH2 4.34Å; F261-W318 AromaticContact CD1-CZ2 3.57Å; F261-W318 HydrophobicContact CD1-CZ2 3.57Å; F261-W318 AromaticContact CD2-CH2 3.93Å; F261-W318 HydrophobicContact CD2-CH2 3.93Å; F261-W318 AromaticContact CD2-CZ2 3.91Å; F261-W318 HydrophobicContact CD2-CZ2 3.91Å; F261-W318 AromaticContact CE1-CZ2 3.99Å; F261-W318 HydrophobicContact CE1-CZ2 3.99Å; F261-W318 HydrophobicContact CE2-CZ2 4.3Å; F261-W318 AromaticContact CG-CH2 3.81Å; F261-W318 HydrophobicContact CG-CH2 3.81Å; F261-W318 AromaticContact CG-CZ2 3.52Å; F261-W318 HydrophobicContact CG-CZ2 3.52Å; F261-W318 HydrophobicContact CZ-CZ2 4.34Å; F261-R319 PolarHBondContact O-NH2 3.43Å; F261-V324 HydrophobicContact CB-CG2 3.61Å; F261-V324 HydrophobicContact CD2-CG2 4.01Å; F261-V324 HydrophobicContact CG-CG2 4.31Å
262	L	97.2	Very high	98.4	Very high	75 Å²	75	9.9 Å²	9.9	39%	0.393	5%	0.05	S	C	.	.	H	α-helix	trans	-54.4	-38.1	178.5	-71.9	170.5	0	0	0	112.7	I232 Y258 N259 G264 V324 L326	I232-L262 HydrophobicContact CD1-CB 4.05Å; I232-L262 HydrophobicContact CD1-CD1 4.43Å; I232-L262 HydrophobicContact CG2-CB 4.34Å; Y258-L262 WeakPolarHBondContact O-CB 3.24Å; Y258-L262 VanDerWaalsContact O-CG 3.28Å; Y258-L262 WeakPolarHBondContact O-CG 3.47Å; Y258-L262 PolarHBondContact O-N 2.85Å; N259-L262 PolarHBondContact O-N 2.86Å; L262-G264 PolarHBondContact O-N 2.94Å; L262-V324 HydrophobicContact CD1-CG1 4.48Å; L262-V324 HydrophobicContact CD2-CB 3.99Å; L262-V324 HydrophobicContact CD2-CG1 4.07Å; L262-V324 HydrophobicContact CG-CB 4.37Å; L262-V324 HydrophobicContact CG-CG1 4.03Å; L262-L326 HydrophobicContact CD1-CD1 3.76Å; L262-L326 HydrophobicContact CD1-CG 4.3Å
263	A	97.8	Very high	98.4	Very high	3 Å²	3	12.4 Å²	12.4	3%	0.025	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.8	177.6	0	0	0	0	0	114.6	I232 I235 S236 N259 A260 F261 S265	I232-A263 HydrophobicContact CG2-CB 4.03Å; I235-A263 HydrophobicContact CB-CB 3.68Å; I235-A263 HydrophobicContact CG2-CB 3.45Å; I235-A263 VanDerWaalsContact CG2-CB 3.45Å; S236-A263 WeakPolarHBondContact CA-O 3.47Å; S236-A263 VanDerWaalsContact CB-O 3.22Å; S236-A263 WeakPolarHBondContact CB-O 3.48Å; N259-A263 WeakPolarHBondContact O-CB 3.41Å; N259-A263 PolarHBondContact O-N 3.25Å; A260-A263 PolarHBondContact O-N 3.04Å; F261-A263 PolarHBondContact O-N 3.11Å; A263-S265 VanDerWaalsContact C-N 3.31Å
264	G	97.9	Very high	98.4	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	34	-174.4	0	0	0	0	0	112.4	K185 A260 F261 L262 F316	K185-G264 VanDerWaalsContact CE-O 3.27Å; K185-G264 WeakPolarHBondContact CE-O 3.25Å; K185-G264 PolarHBondContact NZ-O 3.45Å; A260-G264 PolarHBondContact O-N 3.11Å; F261-G264 PolarHBondContact O-N 3.07Å; L262-G264 PolarHBondContact O-N 2.94Å; G264-F316 WeakPolarHBondContact O-CE1 3.48Å; G264-F316 WeakPolarHBondContact O-CZ 3.19Å
265	S	98.7	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.			trans	-114.7	149.2	178.8	-54.3	0	0	0	0	109.3	K185 I235 C238 A260 A263 P267	K185-S265 PolarHBondContact NZ-OG 3.24Å; I235-S265 PolarHBondContact O-OG 3.12Å; C238-S265 WeakPolarHBondContact O-CB 3.19Å; C238-S265 PolarHBondContact O-OG 2.78Å; A260-S265 CarbonylContact C-O 3.57Å; A260-S265 PolarHBondContact O-N 3.07Å; A260-S265 VanDerWaalsContact O-O 3.07Å; A263-S265 VanDerWaalsContact C-N 3.31Å; S265-P267 WeakPolarHBondContact O-CD 3.28Å
266	V	98.8	Very high	98.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.7	177.1	-178.1	0	0	0	0	108.6	K239 F240 Y241 V268 I287 Y312 Y315 F316	K239-V266 PolarHBondContact O-N 3.08Å; F240-V266 WeakPolarHBondContact CA-O 2.9Å; F240-V266 HydrophobicContact CD1-CB 3.8Å; F240-V266 HydrophobicContact CD1-CG1 4.21Å; F240-V266 HydrophobicContact CE1-CB 4.08Å; F240-V266 HydrophobicContact CE1-CG1 4.35Å; F240-V266 HydrophobicContact CE1-CG2 4.41Å; Y241-V266 PolarHBondContact N-O 2.77Å; V266-V268 PolarHBondContact O-N 3.06Å; V266-I287 HydrophobicContact CG1-CD1 3.98Å; V266-I287 HydrophobicContact CG1-CG1 4.16Å; V266-Y312 HydrophobicContact CG2-CD2 4.2Å; V266-Y312 HydrophobicContact CG2-CE2 3.86Å; V266-Y315 HydrophobicContact CB-CG 4.5Å; V266-Y315 HydrophobicContact CG1-CD1 3.68Å; V266-Y315 HydrophobicContact CG1-CD2 4.22Å; V266-Y315 HydrophobicContact CG1-CE1 4.18Å; V266-Y315 HydrophobicContact CG1-CG 3.71Å; V266-Y315 HydrophobicContact CG2-CD2 4.22Å; V266-Y315 HydrophobicContact CG2-CG 3.92Å; V266-F316 HydrophobicContact CG2-CE1 4.26Å; V266-F316 HydrophobicContact CG2-CE2 3.86Å; V266-F316 HydrophobicContact CG2-CZ 3.57Å
267	P	98.9	Very high	98.4	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.1	177.1	25.7	-30	0	0	0	111	L257 A260 F261 S265 V269 S285 F286 I287	L257-P267 HydrophobicContact CD1-CB 3.73Å; L257-P267 HydrophobicContact CD1-CG 3.67Å; A260-P267 HydrophobicContact CB-CB 3.62Å; A260-P267 HydrophobicContact CB-CG 4.18Å; F261-P267 HydrophobicContact CD1-CG 3.92Å; F261-P267 HydrophobicContact CE1-CG 3.46Å; F261-P267 VanDerWaalsContact CE1-CG 3.46Å; F261-P267 HydrophobicContact CZ-CG 4.3Å; S265-P267 WeakPolarHBondContact O-CD 3.28Å; P267-V269 HydrophobicContact CB-CG1 3.97Å; P267-S285 WeakPolarHBondContact CD-O 3.19Å; P267-F286 HydrophobicContact CG-CB 3.73Å; P267-I287 PolarHBondContact O-N 3.41Å
268	V	99	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.2	164.1	-175.8	0	0	0	0	106.7	F240 Y241 L242 S243 F244 V266 I287 V289 L298 L302	F240-V268 HydrophobicContact CB-CG2 4.04Å; F240-V268 HydrophobicContact CD1-CG2 4.36Å; Y241-V268 PolarHBondContact O-N 2.83Å; L242-V268 CarbonylContact C-O 3.54Å; L242-V268 HydrophobicContact CD2-CB 3.78Å; L242-V268 HydrophobicContact CD2-CG1 4.01Å; L242-V268 HydrophobicContact CD2-CG2 4.25Å; S243-V268 PolarHBondContact N-O 2.86Å; F244-V268 WeakPolarHBondContact CD1-O 3.23Å; F244-V268 HydrophobicContact CE1-CG1 4.1Å; F244-V268 WeakPolarHBondContact CE1-O 3.45Å; V266-V268 PolarHBondContact O-N 3.06Å; V268-I287 CarbonylContact C-O 3.44Å; V268-I287 VanDerWaalsContact CA-O 3.31Å; V268-I287 WeakPolarHBondContact CA-O 3.5Å; V268-I287 HydrophobicContact CG1-CG2 4.45Å; V268-I287 HydrophobicContact CG2-CB 4.32Å; V268-I287 HydrophobicContact CG2-CD1 4.5Å; V268-V289 HydrophobicContact CG1-CG1 4.26Å; V268-L298 HydrophobicContact CG1-CD1 4.26Å; V268-L298 HydrophobicContact CG1-CD2 3.89Å; V268-L302 HydrophobicContact CG2-CD1 4.39Å; V268-L302 HydrophobicContact CG2-CD2 3.95Å
269	V	98.9	Very high	98.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.8	-167.1	-54.5	0	0	0	0	111.9	L257 P267 Y277 F286 I287 H288 V289	L257-V269 HydrophobicContact CD1-CG1 3.88Å; P267-V269 HydrophobicContact CB-CG1 3.97Å; V269-Y277 HydrophobicContact CB-CE1 3.9Å; V269-Y277 HydrophobicContact CB-CE2 4.03Å; V269-Y277 HydrophobicContact CG1-CD1 4.44Å; V269-Y277 HydrophobicContact CG1-CE1 3.9Å; V269-Y277 HydrophobicContact CG2-CD1 4.29Å; V269-Y277 HydrophobicContact CG2-CD2 3.93Å; V269-Y277 HydrophobicContact CG2-CE1 4.05Å; V269-Y277 HydrophobicContact CG2-CE2 3.65Å; V269-Y277 HydrophobicContact CG2-CG 4.24Å; V269-F286 HydrophobicContact CG1-CD2 4.44Å; V269-F286 HydrophobicContact CG2-CD2 3.6Å; V269-F286 HydrophobicContact CG2-CE2 3.99Å; V269-I287 PolarHBondContact N-O 3.48Å; V269-H288 HydrophobicContact CG2-CB 4.3Å; V269-H288 WeakPolarHBondContact CG2-CD2 3.1Å; V269-V289 WeakPolarHBondContact O-CG1 3.47Å; V269-V289 PolarHBondContact O-N 3.27Å; V269-V289 VanDerWaalsContact O-N 3.12Å
270	L	98.8	Very high	98.3	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.052	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	108.6	169.6	-176.8	163.7	0	0	0	106.1	A201 Y205 F244 E245 I248 V289	A201-L270 HydrophobicContact CB-CD2 4.07Å; Y205-L270 HydrophobicContact CD1-CD1 4.32Å; Y205-L270 HydrophobicContact CD2-CD1 3.92Å; Y205-L270 HydrophobicContact CG-CD1 3.67Å; F244-L270 HydrophobicContact CB-CB 4.17Å; F244-L270 HydrophobicContact CD1-CB 3.41Å; F244-L270 VanDerWaalsContact CD1-CB 3.41Å; F244-L270 HydrophobicContact CD2-CB 4.48Å; F244-L270 HydrophobicContact CD2-CD1 4.42Å; F244-L270 HydrophobicContact CE1-CB 3.81Å; F244-L270 HydrophobicContact CE2-CD1 4.46Å; F244-L270 HydrophobicContact CG-CB 3.78Å; F244-L270 HydrophobicContact CG-CD1 4.49Å; F244-L270 HydrophobicContact CZ-CB 4.49Å; E245-L270 WeakPolarHBondContact CB-O 3.36Å; E245-L270 PolarHBondContact N-O 3.43Å; I248-L270 HydrophobicContact CD1-CD2 4.11Å; I248-L270 HydrophobicContact CG1-CD2 4.15Å; L270-V289 HydrophobicContact CB-CG1 4.11Å; L270-V289 HydrophobicContact CB-CG2 3.82Å; L270-V289 HydrophobicContact CD1-CG1 4.49Å; L270-V289 HydrophobicContact CD1-CG2 4.11Å; L270-V289 HydrophobicContact CG-CG2 3.81Å
271	G	98.4	Very high	98.3	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-170	-131.1	-176.1	0	0	0	0	0	109.4	I248	I248-G271 WeakPolarHBondContact CG1-O 3.46Å; I248-G271 WeakPolarHBondContact CG2-O 3.44Å
272	P	98.2	Very high	98.3	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.026	15%	0.149	C	C	.	.	S	Bend	trans	-62.3	175.5	172	29.6	-36.1	0	0	0	112.1	H249 Y252 I253 N276 Y277 H288	H249-P272 WeakPolarHBondContact O-CB 3.02Å; Y252-P272 WeakPolarHBondContact O-CD 3.43Å; I253-P272 HydrophobicContact CD1-CG 4.26Å; I253-P272 HydrophobicContact CG1-CG 3.83Å; P272-N276 HydrophobicContact CB-CB 3.73Å; P272-N276 WeakPolarHBondContact CB-OD1 3.2Å; P272-N276 HydrophobicContact CG-CB 4.16Å; P272-Y277 HydrophobicContact CG-CD2 4.11Å; P272-Y277 HydrophobicContact CG-CE2 3.77Å; P272-Y277 WeakPolarHBondContact O-CE2 3.49Å; P272-H288 PolarHBondContact O-NE2 2.94Å
273	S	98.4	Very high	98.4	Very high	56 Å²	56	27.7 Å²	27.7	39%	0.392	15%	0.148	S	C	.	.			trans	-57.6	157.1	-179.4	66.8	0	0	0	0	112.9	E275 N276 Y277	S273-E275 VanDerWaalsContact C-N 3.3Å; S273-E275 PolarHBondContact O-N 3.18Å; S273-N276 WeakPolarHBondContact O-CA 3.42Å; S273-N276 VanDerWaalsContact O-CB 3.25Å; S273-N276 WeakPolarHBondContact O-CB 3.34Å; S273-N276 PolarHBondContact O-N 3.19Å; S273-N276 PolarHBondContact OG-N 2.89Å; S273-Y277 PolarHBondContact O-N 3.07Å; S273-Y277 VanDerWaalsContact O-N 3.12Å
274	R	98.6	Very high	98.4	Very high	70 Å²	70	31.5 Å²	31.5	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-49.3	-50	172.7	-177.3	-171	175.5	77.5	19.8	112.2	N276 Y277 E278 A283 F286 H288 D291	R274-N276 PolarHBondContact O-N 3.45Å; R274-Y277 WeakPolarHBondContact O-CB 3.49Å; R274-Y277 PolarHBondContact O-N 3.32Å; R274-E278 HydrophobicContact CG-CG 4.48Å; R274-E278 IonicContact CZ-OE1 3.97Å; R274-E278 VanDerWaalsContact CZ-OE1 3.22Å; R274-E278 IonicContact NE-OE1 3.22Å; R274-E278 PolarHBondContact NE-OE1 3.17Å; R274-E278 IonicContact NH2-OE1 3.45Å; R274-E278 PolarHBondContact NH2-OE1 2.81Å; R274-E278 WeakPolarHBondContact O-CG 3.2Å; R274-E278 PolarHBondContact O-N 3.15Å; R274-A283 PolarHBondContact NH2-O 3.41Å; R274-F286 HydrophobicContact CG-CE2 4.39Å; R274-F286 HydrophobicContact CG-CZ 4.25Å; R274-H288 HydrophobicContact CB-CB 4.31Å; R274-H288 HydrophobicContact CG-CB 4.29Å; R274-D291 WeakPolarHBondContact CD-OD1 3.42Å; R274-D291 IonicContact CZ-OD1 3.15Å; R274-D291 IonicContact NE-OD1 3.74Å; R274-D291 IonicContact NH1-OD1 2.82Å; R274-D291 PolarHBondContact NH1-OD1 2.92Å; R274-D291 IonicContact NH1-OD2 2.55Å; R274-D291 PolarHBondContact NH1-OD2 2.76Å
275	E	98.3	Very high	98.4	Very high	140 Å²	140	31.4 Å²	31.4	65%	0.654	17%	0.167	S	C	*	.	H	α-helix	trans	-57	-37.4	177.5	-176.5	-175	176.9	0	0	111.6	S273 E278 N279	S273-E275 VanDerWaalsContact C-N 3.3Å; S273-E275 PolarHBondContact O-N 3.18Å; E275-E278 PolarHBondContact O-N 2.67Å; E275-N279 PolarHBondContact O-N 3.33Å; E275-N279 PolarHBondContact O-ND2 3.22Å
276	N	98.4	Very high	98.4	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-39.9	176.4	-157.5	162.8	0	0	0	111.8	K250 D251 P272 S273 R274 N279 Y280	K250-N276 WeakPolarHBondContact CA-OD1 3.38Å; D251-N276 PolarHBondContact N-OD1 3.16Å; D251-N276 PolarHBondContact OD1-ND2 3.04Å; P272-N276 HydrophobicContact CB-CB 3.73Å; P272-N276 WeakPolarHBondContact CB-OD1 3.2Å; P272-N276 HydrophobicContact CG-CB 4.16Å; S273-N276 WeakPolarHBondContact O-CA 3.42Å; S273-N276 VanDerWaalsContact O-CB 3.25Å; S273-N276 WeakPolarHBondContact O-CB 3.34Å; S273-N276 PolarHBondContact O-N 3.19Å; S273-N276 PolarHBondContact OG-N 2.89Å; R274-N276 PolarHBondContact O-N 3.45Å; N276-N279 WeakPolarHBondContact O-CB 3.4Å; N276-N279 PolarHBondContact O-N 3.41Å; N276-Y280 VanDerWaalsContact O-CD2 3.23Å; N276-Y280 WeakPolarHBondContact O-CD2 3.26Å
277	Y	98.7	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-41.4	173.4	-83	-83.4	0	0	0	112	I253 L257 V269 P272 S273 R274 N279 Y280 I281 F286 H288	I253-Y277 HydrophobicContact CB-CE1 4.37Å; I253-Y277 HydrophobicContact CD1-CD1 3.6Å; I253-Y277 HydrophobicContact CD1-CE1 3.88Å; I253-Y277 HydrophobicContact CD1-CG 4.05Å; I253-Y277 HydrophobicContact CG1-CD1 3.99Å; I253-Y277 HydrophobicContact CG1-CE1 3.7Å; I253-Y277 HydrophobicContact CG2-CD1 4.32Å; I253-Y277 HydrophobicContact CG2-CE1 3.87Å; L257-Y277 HydrophobicContact CD2-CD1 4.27Å; L257-Y277 HydrophobicContact CD2-CE1 4.29Å; V269-Y277 HydrophobicContact CB-CE1 3.9Å; V269-Y277 HydrophobicContact CB-CE2 4.03Å; V269-Y277 HydrophobicContact CG1-CD1 4.44Å; V269-Y277 HydrophobicContact CG1-CE1 3.9Å; V269-Y277 HydrophobicContact CG2-CD1 4.29Å; V269-Y277 HydrophobicContact CG2-CD2 3.93Å; V269-Y277 HydrophobicContact CG2-CE1 4.05Å; V269-Y277 HydrophobicContact CG2-CE2 3.65Å; V269-Y277 HydrophobicContact CG2-CG 4.24Å; P272-Y277 HydrophobicContact CG-CD2 4.11Å; P272-Y277 HydrophobicContact CG-CE2 3.77Å; P272-Y277 WeakPolarHBondContact O-CE2 3.49Å; S273-Y277 PolarHBondContact O-N 3.07Å; S273-Y277 VanDerWaalsContact O-N 3.12Å; R274-Y277 WeakPolarHBondContact O-CB 3.49Å; R274-Y277 PolarHBondContact O-N 3.32Å; Y277-N279 PolarHBondContact O-N 2.65Å; Y277-N279 VanDerWaalsContact O-N 3.16Å; Y277-Y280 PolarHBondContact O-N 2.75Å; Y277-I281 HydrophobicContact CD1-CD1 4.41Å; Y277-I281 WeakPolarHBondContact O-CG1 3.33Å; Y277-I281 PolarHBondContact O-N 3.05Å; Y277-F286 VanDerWaalsContact CB-CZ 3.46Å; Y277-F286 HydrophobicContact CG-CE2 4.16Å; Y277-F286 HydrophobicContact CG-CZ 4.37Å; Y277-H288 AromaticContact CD2-CD2 3.67Å; Y277-H288 AromaticContact CD2-NE2 3.73Å; Y277-H288 AromaticContact CE2-CD2 3.94Å; Y277-H288 AromaticContact CE2-NE2 3.74Å
278	E	98.4	Very high	98.4	Very high	76 Å²	76	31.6 Å²	31.6	36%	0.355	17%	0.167	S	C	.	.	H	α-helix	trans	-62.8	-22	-179.9	-68.8	-178.8	173.7	0	0	113.2	R274 E275 Y280 I281 A283 F286	R274-E278 HydrophobicContact CG-CG 4.48Å; R274-E278 IonicContact CZ-OE1 3.97Å; R274-E278 VanDerWaalsContact CZ-OE1 3.22Å; R274-E278 IonicContact NE-OE1 3.22Å; R274-E278 PolarHBondContact NE-OE1 3.17Å; R274-E278 IonicContact NH2-OE1 3.45Å; R274-E278 PolarHBondContact NH2-OE1 2.81Å; R274-E278 WeakPolarHBondContact O-CG 3.2Å; R274-E278 PolarHBondContact O-N 3.15Å; E275-E278 PolarHBondContact O-N 2.67Å; E278-Y280 PolarHBondContact O-N 3.01Å; E278-I281 WeakPolarHBondContact CA-O 3.37Å; E278-A283 HydrophobicContact CG-CB 3.85Å; E278-A283 WeakPolarHBondContact OE1-CB 3.33Å; E278-F286 HydrophobicContact CG-CE1 4.12Å; E278-F286 HydrophobicContact CG-CZ 3.95Å
279	N	97.5	Very high	98.4	Very high	89 Å²	89	32 Å²	32	48%	0.476	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.7	170.7	-74.7	-46.1	0	0	0	112.8	R160 E275 N276 Y277	R160-N279 VanDerWaalsContact CZ-O 3.32Å; R160-N279 PolarHBondContact NH1-O 3.25Å; R160-N279 PolarHBondContact NH2-O 2.88Å; E275-N279 PolarHBondContact O-N 3.33Å; E275-N279 PolarHBondContact O-ND2 3.22Å; N276-N279 WeakPolarHBondContact O-CB 3.4Å; N276-N279 PolarHBondContact O-N 3.41Å; Y277-N279 PolarHBondContact O-N 2.65Å; Y277-N279 VanDerWaalsContact O-N 3.16Å
280	Y	97.9	Very high	98.3	Very high	33 Å²	33	38 Å²	38	13%	0.129	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-31.2	-173.4	-70	-99.9	0	0	0	114.3	R160 Q165 D251 I253 N276 Y277 E278	R160-Y280 WeakPolarHBondContact CG-OH 3.19Å; R160-Y280 PolarHBondContact NE-OH 2.85Å; R160-Y280 VanDerWaalsContact NH2-CD1 3.28Å; R160-Y280 VanDerWaalsContact NH2-CE2 3.34Å; Q165-Y280 PolarHBondContact NE2-OH 3.31Å; D251-Y280 WeakPolarHBondContact CB-OH 3.37Å; D251-Y280 PolarHBondContact OD1-OH 3.31Å; I253-Y280 HydrophobicContact CD1-CD2 3.62Å; I253-Y280 HydrophobicContact CD1-CE2 4.02Å; I253-Y280 HydrophobicContact CD1-CG 3.99Å; N276-Y280 VanDerWaalsContact O-CD2 3.23Å; N276-Y280 WeakPolarHBondContact O-CD2 3.26Å; Y277-Y280 PolarHBondContact O-N 2.75Å; E278-Y280 PolarHBondContact O-N 3.01Å
281	I	98.2	Very high	98.3	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.212	C	C	.	.	S	Bend	trans	-140.1	153.9	-173.6	58.5	165.7	0	0	0	110.7	L171 L257 F261 Y277 E278 A283 F286	L171-I281 HydrophobicContact CD1-CB 4.25Å; L171-I281 HydrophobicContact CD1-CG2 3.93Å; L171-I281 HydrophobicContact CG-CG2 4.22Å; L257-I281 HydrophobicContact CD1-CD1 3.83Å; L257-I281 HydrophobicContact CD2-CD1 3.89Å; L257-I281 HydrophobicContact CD2-CG2 4.03Å; L257-I281 HydrophobicContact CG-CD1 4.43Å; F261-I281 HydrophobicContact CE2-CB 4.26Å; F261-I281 HydrophobicContact CE2-CD1 4.44Å; F261-I281 HydrophobicContact CE2-CG2 3.69Å; F261-I281 HydrophobicContact CZ-CB 4.26Å; F261-I281 HydrophobicContact CZ-CD1 3.89Å; F261-I281 HydrophobicContact CZ-CG2 4.14Å; Y277-I281 HydrophobicContact CD1-CD1 4.41Å; Y277-I281 WeakPolarHBondContact O-CG1 3.33Å; Y277-I281 PolarHBondContact O-N 3.05Å; E278-I281 WeakPolarHBondContact CA-O 3.37Å; I281-A283 PolarHBondContact O-N 3.41Å; I281-F286 HydrophobicContact CD1-CB 3.94Å; I281-F286 HydrophobicContact CD1-CD1 3.23Å; I281-F286 HydrophobicContact CD1-CE1 3.78Å; I281-F286 HydrophobicContact CD1-CG 3.68Å; I281-F286 HydrophobicContact CG1-CD1 3.8Å; I281-F286 HydrophobicContact CG1-CE1 3.89Å
282	P	98	Very high	98.3	Very high	33 Å²	33	42.6 Å²	42.6	21%	0.214	22%	0.219	C	C	.	.			trans	-56.9	138.4	177.4	-28.2	37.6	0	0	0	112.7	L171 D284 S285 F286 W318 F322	L171-P282 HydrophobicContact CD1-CG 4.49Å; P282-D284 WeakPolarHBondContact CB-OD1 3.34Å; P282-D284 PolarHBondContact O-N 2.93Å; P282-D284 VanDerWaalsContact O-N 3.1Å; P282-S285 WeakPolarHBondContact O-CB 3.36Å; P282-S285 PolarHBondContact O-N 3.4Å; P282-S285 PolarHBondContact O-OG 2.92Å; P282-F286 WeakPolarHBondContact O-CD1 3.47Å; P282-W318 HydrophobicContact CB-CB 4.32Å; P282-W318 HydrophobicContact CG-CB 3.83Å; P282-F322 HydrophobicContact CG-CD2 4.4Å; P282-F322 HydrophobicContact CG-CE2 4.21Å
283	A	98.1	Very high	98.3	Very high	45 Å²	45	49.6 Å²	49.6	37%	0.372	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.5	-176	0	0	0	0	0	114.4	R274 E278 I281	R274-A283 PolarHBondContact NH2-O 3.41Å; E278-A283 HydrophobicContact CG-CB 3.85Å; E278-A283 WeakPolarHBondContact OE1-CB 3.33Å; I281-A283 PolarHBondContact O-N 3.41Å
284	D	97.8	Very high	98.3	Very high	82 Å²	82	49 Å²	49	44%	0.439	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.2	179.6	66.9	-20.8	0	0	0	113.5	P282 Y315	P282-D284 WeakPolarHBondContact CB-OD1 3.34Å; P282-D284 PolarHBondContact O-N 2.93Å; P282-D284 VanDerWaalsContact O-N 3.1Å; D284-Y315 WeakPolarHBondContact O-CA 3.28Å; D284-Y315 WeakPolarHBondContact O-CD1 3.18Å
285	S	98.4	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-94.1	-7	-179.1	68.8	0	0	0	0	114.5	F261 P267 P282	F261-S285 WeakPolarHBondContact CE1-O 3.26Å; P267-S285 WeakPolarHBondContact CD-O 3.19Å; P282-S285 WeakPolarHBondContact O-CB 3.36Å; P282-S285 PolarHBondContact O-N 3.4Å; P282-S285 PolarHBondContact O-OG 2.92Å
286	F	98.8	Very high	98.4	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.013	23%	0.231	C	C	.	.			trans	-147.3	165.4	-174.2	70.6	-80.1	0	0	0	112.2	P267 V269 R274 Y277 E278 I281 P282 H288	P267-F286 HydrophobicContact CG-CB 3.73Å; V269-F286 HydrophobicContact CG1-CD2 4.44Å; V269-F286 HydrophobicContact CG2-CD2 3.6Å; V269-F286 HydrophobicContact CG2-CE2 3.99Å; R274-F286 HydrophobicContact CG-CE2 4.39Å; R274-F286 HydrophobicContact CG-CZ 4.25Å; Y277-F286 VanDerWaalsContact CB-CZ 3.46Å; Y277-F286 HydrophobicContact CG-CE2 4.16Å; Y277-F286 HydrophobicContact CG-CZ 4.37Å; E278-F286 HydrophobicContact CG-CE1 4.12Å; E278-F286 HydrophobicContact CG-CZ 3.95Å; I281-F286 HydrophobicContact CD1-CB 3.94Å; I281-F286 HydrophobicContact CD1-CD1 3.23Å; I281-F286 HydrophobicContact CD1-CE1 3.78Å; I281-F286 HydrophobicContact CD1-CG 3.68Å; I281-F286 HydrophobicContact CG1-CD1 3.8Å; I281-F286 HydrophobicContact CG1-CE1 3.89Å; P282-F286 WeakPolarHBondContact O-CD1 3.47Å; F286-H288 HydrophobicContact CD2-CB 4.4Å; F286-H288 HydrophobicContact CE2-CB 4Å
287	I	98.9	Very high	98.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.8	174.2	-63.8	168.1	0	0	0	107.8	F240 V266 P267 V268 V269 Y292 L298 Y301 L302 Y315	F240-I287 HydrophobicContact CD1-CD1 4.05Å; F240-I287 HydrophobicContact CE1-CD1 3.85Å; V266-I287 HydrophobicContact CG1-CD1 3.98Å; V266-I287 HydrophobicContact CG1-CG1 4.16Å; P267-I287 PolarHBondContact O-N 3.41Å; V268-I287 CarbonylContact C-O 3.44Å; V268-I287 VanDerWaalsContact CA-O 3.31Å; V268-I287 WeakPolarHBondContact CA-O 3.5Å; V268-I287 HydrophobicContact CG1-CG2 4.45Å; V268-I287 HydrophobicContact CG2-CB 4.32Å; V268-I287 HydrophobicContact CG2-CD1 4.5Å; V269-I287 PolarHBondContact N-O 3.48Å; I287-Y292 HydrophobicContact CG2-CE2 3.69Å; I287-L298 HydrophobicContact CG2-CD1 3.64Å; I287-Y301 HydrophobicContact CD1-CD1 4.25Å; I287-Y301 HydrophobicContact CD1-CE1 3.85Å; I287-Y301 HydrophobicContact CG1-CE1 4.19Å; I287-L302 HydrophobicContact CD1-CD2 3.63Å; I287-Y315 HydrophobicContact CD1-CE1 4.32Å; I287-Y315 HydrophobicContact CD1-CE2 4.31Å; I287-Y315 HydrophobicContact CG1-CE1 3.68Å; I287-Y315 HydrophobicContact CG1-CE2 4.49Å; I287-Y315 WeakPolarHBondContact CG1-OH 3.18Å
288	H	98.9	Very high	98.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.2	177.5	-158.5	-89.1	0	0	0	110.2	V269 P272 R274 Y277 F286 E290 D291 Y292	V269-H288 HydrophobicContact CG2-CB 4.3Å; V269-H288 WeakPolarHBondContact CG2-CD2 3.1Å; P272-H288 PolarHBondContact O-NE2 2.94Å; R274-H288 HydrophobicContact CB-CB 4.31Å; R274-H288 HydrophobicContact CG-CB 4.29Å; Y277-H288 AromaticContact CD2-CD2 3.67Å; Y277-H288 AromaticContact CD2-NE2 3.73Å; Y277-H288 AromaticContact CE2-CD2 3.94Å; Y277-H288 AromaticContact CE2-NE2 3.74Å; F286-H288 HydrophobicContact CD2-CB 4.4Å; F286-H288 HydrophobicContact CE2-CB 4Å; H288-E290 IonicContact CE1-OE2 3.97Å; H288-E290 PolarHBondContact CE1-OE2 3.21Å; H288-E290 VanDerWaalsContact CE1-OE2 3.26Å; H288-E290 WeakPolarHBondContact ND1-CB 3.33Å; H288-E290 PolarHBondContact ND1-N 3.49Å; H288-E290 VanDerWaalsContact ND1-N 3.19Å; H288-E290 IonicContact ND1-OE2 3.13Å; H288-E290 PolarHBondContact O-N 2.92Å; H288-D291 WeakPolarHBondContact CB-OD2 3.5Å; H288-D291 PolarHBondContact N-OD2 3.49Å; H288-D291 WeakPolarHBondContact O-CB 3.21Å; H288-D291 PolarHBondContact O-N 2.71Å; H288-D291 VanDerWaalsContact O-N 3.11Å; H288-Y292 WeakPolarHBondContact O-CE2 3.34Å
289	V	98.8	Very high	98.4	Very high	10 Å²	10	41.6 Å²	41.6	6%	0.061	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-61.6	-30.7	178.7	-68.3	0	0	0	0	113.1	Y205 F244 V268 V269 L270 D291 Y292 L298	Y205-V289 HydrophobicContact CD1-CG1 4.18Å; Y205-V289 HydrophobicContact CE1-CB 4.13Å; Y205-V289 HydrophobicContact CE1-CG1 3.6Å; Y205-V289 HydrophobicContact CE2-CB 3.8Å; Y205-V289 HydrophobicContact CE2-CG1 4.16Å; Y205-V289 HydrophobicContact CE2-CG2 4.34Å; F244-V289 HydrophobicContact CE1-CG1 3.75Å; F244-V289 HydrophobicContact CZ-CG1 3.98Å; V268-V289 HydrophobicContact CG1-CG1 4.26Å; V269-V289 WeakPolarHBondContact O-CG1 3.47Å; V269-V289 PolarHBondContact O-N 3.27Å; V269-V289 VanDerWaalsContact O-N 3.12Å; L270-V289 HydrophobicContact CB-CG1 4.11Å; L270-V289 HydrophobicContact CB-CG2 3.82Å; L270-V289 HydrophobicContact CD1-CG1 4.49Å; L270-V289 HydrophobicContact CD1-CG2 4.11Å; L270-V289 HydrophobicContact CG-CG2 3.81Å; V289-D291 PolarHBondContact O-N 3.3Å; V289-Y292 PolarHBondContact O-N 2.67Å; V289-L298 HydrophobicContact CG1-CD2 4Å
290	E	97.6	Very high	98.5	Very high	126 Å²	126	43.2 Å²	43.2	59%	0.589	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-75.7	-4.4	178.4	-58	178	155	0	0	113.8	H288 Y292	H288-E290 IonicContact CE1-OE2 3.97Å; H288-E290 PolarHBondContact CE1-OE2 3.21Å; H288-E290 VanDerWaalsContact CE1-OE2 3.26Å; H288-E290 WeakPolarHBondContact ND1-CB 3.33Å; H288-E290 PolarHBondContact ND1-N 3.49Å; H288-E290 VanDerWaalsContact ND1-N 3.19Å; H288-E290 IonicContact ND1-OE2 3.13Å; H288-E290 PolarHBondContact O-N 2.92Å; E290-Y292 PolarHBondContact O-N 3Å
291	D	98.3	Very high	98.5	Very high	65 Å²	65	44 Å²	44	35%	0.348	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-70.5	-8.1	172.1	-58.8	-31.7	0	0	0	112.1	R274 H288 V289	R274-D291 WeakPolarHBondContact CD-OD1 3.42Å; R274-D291 IonicContact CZ-OD1 3.15Å; R274-D291 IonicContact NE-OD1 3.74Å; R274-D291 IonicContact NH1-OD1 2.82Å; R274-D291 PolarHBondContact NH1-OD1 2.92Å; R274-D291 IonicContact NH1-OD2 2.55Å; R274-D291 PolarHBondContact NH1-OD2 2.76Å; H288-D291 WeakPolarHBondContact CB-OD2 3.5Å; H288-D291 PolarHBondContact N-OD2 3.49Å; H288-D291 WeakPolarHBondContact O-CB 3.21Å; H288-D291 PolarHBondContact O-N 2.71Å; H288-D291 VanDerWaalsContact O-N 3.11Å; V289-D291 PolarHBondContact O-N 3.3Å
292	Y	98.6	Very high	98.5	Very high	42 Å²	42	43.8 Å²	43.8	17%	0.165	23%	0.232	C	C	.	.	S	Bend	trans	-128.8	147.2	-173.4	-50.7	-84.8	0	0	0	111	I287 H288 V289 E290 S294 E297 L298 Y301	I287-Y292 HydrophobicContact CG2-CE2 3.69Å; H288-Y292 WeakPolarHBondContact O-CE2 3.34Å; V289-Y292 PolarHBondContact O-N 2.67Å; E290-Y292 PolarHBondContact O-N 3Å; Y292-S294 PolarHBondContact O-N 2.99Å; Y292-E297 HydrophobicContact CD1-CB 4.38Å; Y292-L298 HydrophobicContact CD2-CB 3.78Å; Y292-L298 HydrophobicContact CD2-CD1 3.65Å; Y292-L298 HydrophobicContact CD2-CG 4.24Å; Y292-L298 HydrophobicContact CE2-CB 4.37Å; Y292-L298 HydrophobicContact CE2-CD1 3.39Å; Y292-L298 HydrophobicContact CE2-CG 4.43Å; Y292-L298 HydrophobicContact CG-CB 3.92Å; Y292-L298 HydrophobicContact CG-CD1 4.47Å; Y292-Y301 VanDerWaalsContact CE1-CB 3.41Å; Y292-Y301 HydrophobicContact CE1-CD1 4.04Å; Y292-Y301 AromaticContact CE1-CD2 3.97Å; Y292-Y301 HydrophobicContact CE1-CD2 3.97Å; Y292-Y301 AromaticContact CE1-CG 3.53Å; Y292-Y301 HydrophobicContact CE1-CG 3.53Å; Y292-Y301 AromaticContact CZ-CD1 3.63Å; Y292-Y301 AromaticContact CZ-CG 3.64Å; Y292-Y301 WeakPolarHBondContact OH-CD1 3.45Å; Y292-Y301 WeakPolarHBondContact OH-CE1 3.39Å
293	N	98.3	Very high	98.6	Very high	152 Å²	152	46.3 Å²	46.3	81%	0.813	24%	0.24	S	C	*	.	S	Bend	trans	-75.9	-15.7	-179.4	-52.4	-67.9	0	0	0	112.6	E297	N293-E297 WeakPolarHBondContact CB-OE2 3.15Å; N293-E297 PolarHBondContact N-OE2 3.35Å; N293-E297 PolarHBondContact ND2-OE2 3.49Å
294	S	98.5	Very high	98.6	Very high	43 Å²	43	49.9 Å²	49.9	30%	0.301	25%	0.249	S	C	.	.	S	Bend	trans	-155	158.2	177.9	69.3	0	0	0	0	112.8	Y292 S296 E297 L298	Y292-S294 PolarHBondContact O-N 2.99Å; S294-S296 PolarHBondContact O-N 2.94Å; S294-E297 PolarHBondContact O-N 3.24Å; S294-E297 PolarHBondContact OG-N 3.05Å; S294-L298 PolarHBondContact O-N 2.83Å; S294-L298 VanDerWaalsContact O-N 3.12Å
295	P	98.7	Very high	98.6	Very high	26 Å²	26	46 Å²	46	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-31.1	170.2	-26.6	35.1	0	0	0	113.6	Y205 E208 L209 L298 A299	Y205-P295 HydrophobicContact CD1-CG 4.48Å; Y205-P295 HydrophobicContact CD2-CG 4.14Å; Y205-P295 HydrophobicContact CE1-CB 4.09Å; Y205-P295 HydrophobicContact CE1-CG 4.14Å; Y205-P295 HydrophobicContact CE2-CG 3.77Å; Y205-P295 HydrophobicContact CG-CG 4.47Å; E208-P295 HydrophobicContact CB-CB 3.95Å; E208-P295 HydrophobicContact CB-CG 3.7Å; L209-P295 HydrophobicContact CB-CB 4.1Å; L209-P295 HydrophobicContact CD1-CB 4.27Å; L209-P295 WeakPolarHBondContact CD1-O 3.44Å; P295-L298 PolarHBondContact O-N 2.88Å; P295-A299 WeakPolarHBondContact O-CB 3.29Å; P295-A299 PolarHBondContact O-N 2.96Å
296	S	98.7	Very high	98.6	Very high	44 Å²	44	48.6 Å²	48.6	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-36.5	176.5	-166.8	0	0	0	0	112.5	S212 S294 A299 K300	S212-S296 PolarHBondContact OG-OG 3.21Å; S294-S296 PolarHBondContact O-N 2.94Å; S296-A299 PolarHBondContact O-N 2.87Å; S296-K300 WeakPolarHBondContact O-CG 3.34Å; S296-K300 PolarHBondContact O-N 3.29Å
297	E	98.8	Very high	98.6	Very high	73 Å²	73	56.8 Å²	56.8	34%	0.341	28%	0.277	S	S	.	.	H	α-helix	trans	-68.5	-41.9	173.8	-73.1	-169.5	146.4	0	0	111.8	Y292 N293 S294 A299 K300 Y301	Y292-E297 HydrophobicContact CD1-CB 4.38Å; N293-E297 WeakPolarHBondContact CB-OE2 3.15Å; N293-E297 PolarHBondContact N-OE2 3.35Å; N293-E297 PolarHBondContact ND2-OE2 3.49Å; S294-E297 PolarHBondContact O-N 3.24Å; S294-E297 PolarHBondContact OG-N 3.05Å; E297-A299 VanDerWaalsContact C-N 3.31Å; E297-A299 PolarHBondContact O-N 2.84Å; E297-K300 WeakPolarHBondContact O-CB 3.41Å; E297-K300 PolarHBondContact O-N 2.84Å; E297-K300 VanDerWaalsContact O-N 3.15Å; E297-Y301 PolarHBondContact O-N 3.17Å
298	L	98.9	Very high	98.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-46.5	170.7	173	64.3	0	0	0	110.9	Y205 L209 V268 I287 V289 Y292 S294 P295 K300 Y301 L302	Y205-L298 HydrophobicContact CE1-CD2 3.74Å; Y205-L298 WeakPolarHBondContact OH-CD2 3.18Å; L209-L298 HydrophobicContact CD1-CB 4.45Å; L209-L298 HydrophobicContact CD1-CD2 4.1Å; L209-L298 HydrophobicContact CD1-CG 4.27Å; L209-L298 HydrophobicContact CD2-CD2 4.3Å; V268-L298 HydrophobicContact CG1-CD1 4.26Å; V268-L298 HydrophobicContact CG1-CD2 3.89Å; I287-L298 HydrophobicContact CG2-CD1 3.64Å; V289-L298 HydrophobicContact CG1-CD2 4Å; Y292-L298 HydrophobicContact CD2-CB 3.78Å; Y292-L298 HydrophobicContact CD2-CD1 3.65Å; Y292-L298 HydrophobicContact CD2-CG 4.24Å; Y292-L298 HydrophobicContact CE2-CB 4.37Å; Y292-L298 HydrophobicContact CE2-CD1 3.39Å; Y292-L298 HydrophobicContact CE2-CG 4.43Å; Y292-L298 HydrophobicContact CG-CB 3.92Å; Y292-L298 HydrophobicContact CG-CD1 4.47Å; S294-L298 PolarHBondContact O-N 2.83Å; S294-L298 VanDerWaalsContact O-N 3.12Å; P295-L298 PolarHBondContact O-N 2.88Å; L298-K300 VanDerWaalsContact C-N 3.29Å; L298-K300 PolarHBondContact O-N 2.81Å; L298-Y301 WeakPolarHBondContact O-CB 3.48Å; L298-Y301 PolarHBondContact O-N 3.3Å; L298-Y301 VanDerWaalsContact O-N 3.13Å; L298-L302 HydrophobicContact CD1-CD1 4.37Å; L298-L302 HydrophobicContact CD1-CD2 4.16Å; L298-L302 HydrophobicContact CD1-CG 4.05Å; L298-L302 HydrophobicContact CG-CD1 4.28Å; L298-L302 HydrophobicContact CG-CG 4.33Å; L298-L302 WeakPolarHBondContact O-CG 3.35Å; L298-L302 PolarHBondContact O-N 3.09Å
299	A	98.9	Very high	98.5	Very high	1 Å²	1	65 Å²	65	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-38.3	176.7	0	0	0	0	0	113.1	L209 S212 I213 P295 S296 E297 K303	L209-A299 HydrophobicContact CD1-CB 3.95Å; S212-A299 VanDerWaalsContact CB-CB 3.5Å; I213-A299 HydrophobicContact CB-CB 3.9Å; I213-A299 HydrophobicContact CG2-CB 3.91Å; P295-A299 WeakPolarHBondContact O-CB 3.29Å; P295-A299 PolarHBondContact O-N 2.96Å; S296-A299 PolarHBondContact O-N 2.87Å; E297-A299 VanDerWaalsContact C-N 3.31Å; E297-A299 PolarHBondContact O-N 2.84Å; A299-K303 WeakPolarHBondContact O-CG 3.49Å; A299-K303 PolarHBondContact O-N 3.28Å
300	K	98.8	Very high	98.4	Very high	123 Å²	123	73 Å²	73	54%	0.535	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-47.2	173.8	-70.1	170.4	-170.2	171.8	0	110.6	S296 E297 L298 L302 K303 E304	S296-K300 WeakPolarHBondContact O-CG 3.34Å; S296-K300 PolarHBondContact O-N 3.29Å; E297-K300 WeakPolarHBondContact O-CB 3.41Å; E297-K300 PolarHBondContact O-N 2.84Å; E297-K300 VanDerWaalsContact O-N 3.15Å; L298-K300 VanDerWaalsContact C-N 3.29Å; L298-K300 PolarHBondContact O-N 2.81Å; K300-L302 PolarHBondContact O-N 3.1Å; K300-K303 WeakPolarHBondContact O-CB 3.47Å; K300-K303 PolarHBondContact O-N 2.82Å; K300-K303 VanDerWaalsContact O-N 3.16Å; K300-E304 WeakPolarHBondContact O-CG 3.47Å; K300-E304 PolarHBondContact O-N 3Å
301	Y	98.9	Very high	98.5	Very high	50 Å²	50	69.6 Å²	69.6	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-46.3	178.3	-176.5	-99.6	0	0	0	112.7	I287 Y292 E297 L298 K303 E304 V305 Y315	I287-Y301 HydrophobicContact CD1-CD1 4.25Å; I287-Y301 HydrophobicContact CD1-CE1 3.85Å; I287-Y301 HydrophobicContact CG1-CE1 4.19Å; Y292-Y301 VanDerWaalsContact CE1-CB 3.41Å; Y292-Y301 HydrophobicContact CE1-CD1 4.04Å; Y292-Y301 AromaticContact CE1-CD2 3.97Å; Y292-Y301 HydrophobicContact CE1-CD2 3.97Å; Y292-Y301 AromaticContact CE1-CG 3.53Å; Y292-Y301 HydrophobicContact CE1-CG 3.53Å; Y292-Y301 AromaticContact CZ-CD1 3.63Å; Y292-Y301 AromaticContact CZ-CG 3.64Å; Y292-Y301 WeakPolarHBondContact OH-CD1 3.45Å; Y292-Y301 WeakPolarHBondContact OH-CE1 3.39Å; E297-Y301 PolarHBondContact O-N 3.17Å; L298-Y301 WeakPolarHBondContact O-CB 3.48Å; L298-Y301 PolarHBondContact O-N 3.3Å; L298-Y301 VanDerWaalsContact O-N 3.13Å; Y301-K303 PolarHBondContact O-N 2.96Å; Y301-E304 WeakPolarHBondContact O-CA 3.39Å; Y301-E304 WeakPolarHBondContact O-CB 3.36Å; Y301-E304 PolarHBondContact O-N 2.84Å; Y301-V305 HydrophobicContact CD1-CG2 3.83Å; Y301-V305 HydrophobicContact CE1-CG2 3.36Å; Y301-V305 HydrophobicContact CE2-CG2 4.12Å; Y301-V305 HydrophobicContact CG-CG2 4.4Å; Y301-V305 WeakPolarHBondContact O-CG2 3.42Å; Y301-V305 PolarHBondContact O-N 2.71Å; Y301-Y315 WeakPolarHBondContact CE1-OH 3.25Å; Y301-Y315 PolarHBondContact OH-OH 2.98Å
302	L	98.9	Very high	98.5	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-38.1	177	-63.8	-177.7	0	0	0	111.9	V189 I213 F240 V268 I287 L298 K300 D306	V189-L302 HydrophobicContact CG2-CD1 4Å; I213-L302 HydrophobicContact CD1-CB 3.89Å; I213-L302 HydrophobicContact CD1-CD1 4.19Å; F240-L302 HydrophobicContact CD1-CD2 3.69Å; F240-L302 HydrophobicContact CD2-CB 4.28Å; F240-L302 HydrophobicContact CD2-CD2 4.14Å; F240-L302 HydrophobicContact CE1-CD2 3.85Å; F240-L302 HydrophobicContact CE2-CB 4.17Å; F240-L302 HydrophobicContact CE2-CD2 4.27Å; F240-L302 WeakPolarHBondContact CE2-O 3.42Å; F240-L302 HydrophobicContact CG-CD2 3.85Å; F240-L302 HydrophobicContact CZ-CD2 4.15Å; V268-L302 HydrophobicContact CG2-CD1 4.39Å; V268-L302 HydrophobicContact CG2-CD2 3.95Å; I287-L302 HydrophobicContact CD1-CD2 3.63Å; L298-L302 HydrophobicContact CD1-CD1 4.37Å; L298-L302 HydrophobicContact CD1-CD2 4.16Å; L298-L302 HydrophobicContact CD1-CG 4.05Å; L298-L302 HydrophobicContact CG-CD1 4.28Å; L298-L302 HydrophobicContact CG-CG 4.33Å; L298-L302 WeakPolarHBondContact O-CG 3.35Å; L298-L302 PolarHBondContact O-N 3.09Å; K300-L302 PolarHBondContact O-N 3.1Å; L302-D306 WeakPolarHBondContact O-CB 3.07Å; L302-D306 PolarHBondContact O-N 3.46Å
303	K	98.8	Very high	98.4	Very high	86 Å²	86	68.2 Å²	68.2	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-71.1	-28.3	174.5	-68.7	172.7	-173.8	178	0	113.3	L188 S212 I213 A299 K300 Y301 K307	L188-K303 HydrophobicContact CD2-CG 4.39Å; S212-K303 WeakPolarHBondContact O-CE 3.48Å; S212-K303 PolarHBondContact O-NZ 3.46Å; I213-K303 HydrophobicContact CD1-CG 4.2Å; A299-K303 WeakPolarHBondContact O-CG 3.49Å; A299-K303 PolarHBondContact O-N 3.28Å; K300-K303 WeakPolarHBondContact O-CB 3.47Å; K300-K303 PolarHBondContact O-N 2.82Å; K300-K303 VanDerWaalsContact O-N 3.16Å; Y301-K303 PolarHBondContact O-N 2.96Å; K303-K307 WeakPolarHBondContact O-CD 3.49Å; K303-K307 VanDerWaalsContact O-CG 3.31Å; K303-K307 WeakPolarHBondContact O-CG 3.38Å; K303-K307 PolarHBondContact O-N 3.19Å
304	E	98.5	Very high	98.4	Very high	119 Å²	119	62.8 Å²	62.8	56%	0.556	31%	0.31	S	S	*	.	H	α-helix	trans	-72.5	-46.2	173.8	-72.6	175	-176.1	0	0	111.2	K300 Y301 D306 K307 N308	K300-E304 WeakPolarHBondContact O-CG 3.47Å; K300-E304 PolarHBondContact O-N 3Å; Y301-E304 WeakPolarHBondContact O-CA 3.39Å; Y301-E304 WeakPolarHBondContact O-CB 3.36Å; Y301-E304 PolarHBondContact O-N 2.84Å; E304-D306 VanDerWaalsContact C-N 3.3Å; E304-D306 PolarHBondContact O-N 2.93Å; E304-K307 PolarHBondContact O-N 3.14Å; E304-N308 WeakPolarHBondContact O-CB 3.5Å; E304-N308 PolarHBondContact O-N 3.43Å
305	V	98.5	Very high	98.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-41	174.7	179.9	0	0	0	0	110.6	F240 Y301 K307 N308 L311 Y312 Y315	F240-V305 HydrophobicContact CE1-CB 4.39Å; F240-V305 HydrophobicContact CE1-CG1 3.98Å; F240-V305 HydrophobicContact CZ-CB 3.78Å; F240-V305 HydrophobicContact CZ-CG1 3.61Å; Y301-V305 HydrophobicContact CD1-CG2 3.83Å; Y301-V305 HydrophobicContact CE1-CG2 3.36Å; Y301-V305 HydrophobicContact CE2-CG2 4.12Å; Y301-V305 HydrophobicContact CG-CG2 4.4Å; Y301-V305 WeakPolarHBondContact O-CG2 3.42Å; Y301-V305 PolarHBondContact O-N 2.71Å; V305-K307 VanDerWaalsContact C-N 3.28Å; V305-K307 PolarHBondContact O-N 2.93Å; V305-N308 CarbonylContact O-C 3.42Å; V305-N308 PolarHBondContact O-N 3.18Å; V305-N308 VanDerWaalsContact O-N 3.12Å; V305-N308 VanDerWaalsContact O-O 3.11Å; V305-L311 HydrophobicContact CB-CD2 4.5Å; V305-L311 HydrophobicContact CG1-CG 4.39Å; V305-L311 HydrophobicContact CG2-CD2 3.79Å; V305-L311 HydrophobicContact CG2-CG 4.14Å; V305-Y312 HydrophobicContact CG1-CD2 4.23Å; V305-Y315 HydrophobicContact CG1-CD2 4.31Å; V305-Y315 HydrophobicContact CG1-CE2 3.99Å; V305-Y315 HydrophobicContact CG2-CE2 4.3Å
306	D	98.3	Very high	98.3	Very high	55 Å²	55	61.2 Å²	61.2	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-54.2	-42.6	175.8	179.3	49.8	0	0	0	113.5	L188 K239 L302 E304	L188-D306 HydrophobicContact CD1-CB 3.65Å; K239-D306 VanDerWaalsContact CD-OD1 3.26Å; K239-D306 WeakPolarHBondContact CD-OD1 3.37Å; K239-D306 WeakPolarHBondContact CE-OD1 3.44Å; K239-D306 PolarHBondContact NZ-O 3.21Å; K239-D306 VanDerWaalsContact NZ-O 3.08Å; K239-D306 IonicContact NZ-OD1 2.85Å; K239-D306 PolarHBondContact NZ-OD1 3.05Å; L302-D306 WeakPolarHBondContact O-CB 3.07Å; L302-D306 PolarHBondContact O-N 3.46Å; E304-D306 VanDerWaalsContact C-N 3.3Å; E304-D306 PolarHBondContact O-N 2.93Å
307	K	98.3	Very high	98.1	Very high	175 Å²	175	62 Å²	62	76%	0.761	30%	0.295	S	S	*	.	H	α-helix	trans	-79.4	-21.4	-180	-67.9	171.3	-175.2	178.4	0	113.2	K303 E304 V305	K303-K307 WeakPolarHBondContact O-CD 3.49Å; K303-K307 VanDerWaalsContact O-CG 3.31Å; K303-K307 WeakPolarHBondContact O-CG 3.38Å; K303-K307 PolarHBondContact O-N 3.19Å; E304-K307 PolarHBondContact O-N 3.14Å; V305-K307 VanDerWaalsContact C-N 3.28Å; V305-K307 PolarHBondContact O-N 2.93Å
308	N	98.3	Very high	98	Very high	78 Å²	78	58.9 Å²	58.9	42%	0.417	28%	0.28	S	S	.	.			trans	-106.6	88.4	-178.5	-174.3	-17.2	0	0	0	110.7	E304 V305 K310 L311 Y312	E304-N308 WeakPolarHBondContact O-CB 3.5Å; E304-N308 PolarHBondContact O-N 3.43Å; V305-N308 CarbonylContact O-C 3.42Å; V305-N308 PolarHBondContact O-N 3.18Å; V305-N308 VanDerWaalsContact O-N 3.12Å; V305-N308 VanDerWaalsContact O-O 3.11Å; N308-K310 PolarHBondContact O-N 3.35Å; N308-K310 VanDerWaalsContact O-N 3.15Å; N308-K310 PolarHBondContact OD1-N 2.58Å; N308-L311 HydrophobicContact CB-CB 3.98Å; N308-L311 PolarHBondContact O-N 3.17Å; N308-L311 PolarHBondContact OD1-N 3.32Å; N308-L311 VanDerWaalsContact OD1-N 3.15Å; N308-Y312 PolarHBondContact O-N 2.98Å
309	N	96.7	Very high	97.8	Very high	97 Å²	97	60.9 Å²	60.9	52%	0.519	29%	0.288	S	S	.	.	H	α-helix	trans	-56.9	-34.3	-177.5	-169.7	58.2	0	0	0	113.3	Y312 L313	N309-Y312 PolarHBondContact O-N 2.86Å; N309-L313 WeakPolarHBondContact ND2-CD1 3.39Å; N309-L313 WeakPolarHBondContact O-CB 3.31Å; N309-L313 WeakPolarHBondContact O-CG 3.47Å; N309-L313 PolarHBondContact O-N 3.11Å
310	K	98	Very high	97.4	Very high	178 Å²	178	67.1 Å²	67.1	77%	0.774	32%	0.315	S	S	*	.	H	α-helix	trans	-65.3	-43.5	177.9	-176.5	-179.1	177.2	-177.1	0	111.5	N308 S314	N308-K310 PolarHBondContact O-N 3.35Å; N308-K310 VanDerWaalsContact O-N 3.15Å; N308-K310 PolarHBondContact OD1-N 2.58Å; K310-S314 PolarHBondContact O-N 2.94Å; K310-S314 VanDerWaalsContact O-N 3.11Å
311	L	98.3	Very high	97.1	Very high	54 Å²	54	65.8 Å²	65.8	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-69	-40.5	176.5	179.1	59.6	0	0	0	111.6	V305 N308 L313 S314 Y315	V305-L311 HydrophobicContact CB-CD2 4.5Å; V305-L311 HydrophobicContact CG1-CG 4.39Å; V305-L311 HydrophobicContact CG2-CD2 3.79Å; V305-L311 HydrophobicContact CG2-CG 4.14Å; N308-L311 HydrophobicContact CB-CB 3.98Å; N308-L311 PolarHBondContact O-N 3.17Å; N308-L311 PolarHBondContact OD1-N 3.32Å; N308-L311 VanDerWaalsContact OD1-N 3.15Å; L311-L313 PolarHBondContact O-N 2.97Å; L311-S314 PolarHBondContact O-N 3.45Å; L311-S314 PolarHBondContact O-OG 2.66Å; L311-Y315 WeakPolarHBondContact O-CD2 3.37Å
312	Y	98.5	Very high	97	Very high	6 Å²	6	66.3 Å²	66.3	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-47.5	173.7	173.5	-112.2	0	0	0	111.7	V182 K185 K239 F240 V266 V305 N308 N309 S314 Y315 F316	V182-Y312 HydrophobicContact CG1-CE1 4.01Å; K185-Y312 VanDerWaalsContact CE-OH 3.27Å; K185-Y312 WeakPolarHBondContact CE-OH 3.06Å; K239-Y312 HydrophobicContact CB-CE2 3.78Å; K239-Y312 HydrophobicContact CD-CD2 4.41Å; K239-Y312 HydrophobicContact CD-CE2 4.17Å; K239-Y312 HydrophobicContact CG-CE2 3.85Å; F240-Y312 HydrophobicContact CZ-CD2 4.39Å; V266-Y312 HydrophobicContact CG2-CD2 4.2Å; V266-Y312 HydrophobicContact CG2-CE2 3.86Å; V305-Y312 HydrophobicContact CG1-CD2 4.23Å; N308-Y312 PolarHBondContact O-N 2.98Å; N309-Y312 PolarHBondContact O-N 2.86Å; Y312-S314 VanDerWaalsContact C-N 3.28Å; Y312-S314 PolarHBondContact O-N 2.93Å; Y312-Y315 PolarHBondContact O-N 3.02Å; Y312-F316 HydrophobicContact CD2-CE2 4.43Å; Y312-F316 AromaticContact CE1-CE2 3.97Å; Y312-F316 HydrophobicContact CE1-CE2 3.97Å; Y312-F316 AromaticContact CE2-CE2 3.88Å; Y312-F316 HydrophobicContact CE2-CE2 3.88Å; Y312-F316 HydrophobicContact CE2-CZ 4.22Å; Y312-F316 AromaticContact CZ-CE2 3.62Å
313	L	97.4	Very high	96.8	Very high	72 Å²	72	69.1 Å²	69.1	38%	0.377	33%	0.334	S	S	.	.	H	α-helix	trans	-67.2	-26.4	179.9	-69.7	179	0	0	0	113.2	V182 N309 L311 Y315 F316	V182-L313 HydrophobicContact CB-CD2 4.4Å; V182-L313 HydrophobicContact CG2-CD2 3.6Å; N309-L313 WeakPolarHBondContact ND2-CD1 3.39Å; N309-L313 WeakPolarHBondContact O-CB 3.31Å; N309-L313 WeakPolarHBondContact O-CG 3.47Å; N309-L313 PolarHBondContact O-N 3.11Å; L311-L313 PolarHBondContact O-N 2.97Å; L313-Y315 PolarHBondContact O-N 3.49Å; L313-F316 PolarHBondContact O-N 2.86Å; L313-F316 VanDerWaalsContact O-N 3.12Å
314	S	97.4	Very high	96.7	Very high	39 Å²	39	66.1 Å²	66.1	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-64.8	-26.5	178.6	58.5	0	0	0	0	113.4	K310 L311 Y312 F316 N317	K310-S314 PolarHBondContact O-N 2.94Å; K310-S314 VanDerWaalsContact O-N 3.11Å; L311-S314 PolarHBondContact O-N 3.45Å; L311-S314 PolarHBondContact O-OG 2.66Å; Y312-S314 VanDerWaalsContact C-N 3.28Å; Y312-S314 PolarHBondContact O-N 2.93Å; S314-F316 PolarHBondContact O-N 3.43Å; S314-N317 WeakPolarHBondContact O-CB 3.38Å; S314-N317 PolarHBondContact O-N 2.85Å; S314-N317 VanDerWaalsContact O-N 3.08Å; S314-N317 PolarHBondContact O-ND2 3.43Å
315	Y	98.4	Very high	96.5	Very high	20 Å²	20	63.2 Å²	63.2	8%	0.078	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.1	174.3	-77.4	-75.6	0	0	0	114.4	V266 D284 I287 Y301 V305 L311 Y312 L313 W318	V266-Y315 HydrophobicContact CB-CG 4.5Å; V266-Y315 HydrophobicContact CG1-CD1 3.68Å; V266-Y315 HydrophobicContact CG1-CD2 4.22Å; V266-Y315 HydrophobicContact CG1-CE1 4.18Å; V266-Y315 HydrophobicContact CG1-CG 3.71Å; V266-Y315 HydrophobicContact CG2-CD2 4.22Å; V266-Y315 HydrophobicContact CG2-CG 3.92Å; D284-Y315 WeakPolarHBondContact O-CA 3.28Å; D284-Y315 WeakPolarHBondContact O-CD1 3.18Å; I287-Y315 HydrophobicContact CD1-CE1 4.32Å; I287-Y315 HydrophobicContact CD1-CE2 4.31Å; I287-Y315 HydrophobicContact CG1-CE1 3.68Å; I287-Y315 HydrophobicContact CG1-CE2 4.49Å; I287-Y315 WeakPolarHBondContact CG1-OH 3.18Å; Y301-Y315 WeakPolarHBondContact CE1-OH 3.25Å; Y301-Y315 PolarHBondContact OH-OH 2.98Å; V305-Y315 HydrophobicContact CG1-CD2 4.31Å; V305-Y315 HydrophobicContact CG1-CE2 3.99Å; V305-Y315 HydrophobicContact CG2-CE2 4.3Å; L311-Y315 WeakPolarHBondContact O-CD2 3.37Å; Y312-Y315 PolarHBondContact O-N 3.02Å; L313-Y315 PolarHBondContact O-N 3.49Å; Y315-W318 PolarHBondContact O-NE1 3.43Å
316	F	97	Very high	96.4	Very high	15 Å²	15	67 Å²	67	7%	0.066	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	5.1	178.4	-57.8	-72.8	0	0	0	113.2	F180 V182 G264 V266 Y312 L313 S314 W318 R319	F180-F316 HydrophobicContact CD1-CB 4.24Å; F180-F316 HydrophobicContact CE1-CB 4.31Å; F180-F316 AromaticContact CE1-CD1 3.87Å; F180-F316 HydrophobicContact CE1-CD1 3.87Å; F180-F316 HydrophobicContact CE1-CE1 4.44Å; F180-F316 HydrophobicContact CE1-CG 4.1Å; V182-F316 HydrophobicContact CG1-CE2 4.27Å; V182-F316 HydrophobicContact CG1-CZ 4.43Å; V182-F316 HydrophobicContact CG2-CD2 3.74Å; V182-F316 HydrophobicContact CG2-CE2 3.98Å; V182-F316 HydrophobicContact CG2-CG 4.18Å; G264-F316 WeakPolarHBondContact O-CE1 3.48Å; G264-F316 WeakPolarHBondContact O-CZ 3.19Å; V266-F316 HydrophobicContact CG2-CE1 4.26Å; V266-F316 HydrophobicContact CG2-CE2 3.86Å; V266-F316 HydrophobicContact CG2-CZ 3.57Å; Y312-F316 HydrophobicContact CD2-CE2 4.43Å; Y312-F316 AromaticContact CE1-CE2 3.97Å; Y312-F316 HydrophobicContact CE1-CE2 3.97Å; Y312-F316 AromaticContact CE2-CE2 3.88Å; Y312-F316 HydrophobicContact CE2-CE2 3.88Å; Y312-F316 HydrophobicContact CE2-CZ 4.22Å; Y312-F316 AromaticContact CZ-CE2 3.62Å; L313-F316 PolarHBondContact O-N 2.86Å; L313-F316 VanDerWaalsContact O-N 3.12Å; S314-F316 PolarHBondContact O-N 3.43Å; F316-W318 PolarHBondContact O-N 3Å; F316-R319 WeakPolarHBondContact O-CB 3.04Å; F316-R319 PolarHBondContact O-N 3.12Å
317	N	95.3	Very high	96.2	Very high	61 Å²	61	65.3 Å²	65.3	33%	0.326	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-57.5	-36.6	-179	-83.1	-34.6	0	0	0	112.9	S314 R319 K320	S314-N317 WeakPolarHBondContact O-CB 3.38Å; S314-N317 PolarHBondContact O-N 2.85Å; S314-N317 VanDerWaalsContact O-N 3.08Å; S314-N317 PolarHBondContact O-ND2 3.43Å; N317-R319 PolarHBondContact O-N 3.33Å; N317-K320 WeakPolarHBondContact O-CB 3.23Å; N317-K320 WeakPolarHBondContact O-CG 3.43Å; N317-K320 PolarHBondContact O-N 2.78Å; N317-K320 VanDerWaalsContact O-N 3.14Å; N317-K320 PolarHBondContact OD1-NZ 3.04Å
318	W	95.7	Very high	96	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-55.2	-23.8	177.5	65.9	-93.5	0	0	0	113.8	L171 F261 P282 Y315 F316 K320 D321 F322 V324	L171-W318 HydrophobicContact CD1-CE3 4.27Å; L171-W318 HydrophobicContact CD2-CE3 4.25Å; L171-W318 HydrophobicContact CD2-CH2 4.36Å; L171-W318 HydrophobicContact CD2-CZ3 3.77Å; F261-W318 HydrophobicContact CB-CH2 3.82Å; F261-W318 HydrophobicContact CB-CZ2 3.81Å; F261-W318 HydrophobicContact CD1-CH2 4.34Å; F261-W318 AromaticContact CD1-CZ2 3.57Å; F261-W318 HydrophobicContact CD1-CZ2 3.57Å; F261-W318 AromaticContact CD2-CH2 3.93Å; F261-W318 HydrophobicContact CD2-CH2 3.93Å; F261-W318 AromaticContact CD2-CZ2 3.91Å; F261-W318 HydrophobicContact CD2-CZ2 3.91Å; F261-W318 AromaticContact CE1-CZ2 3.99Å; F261-W318 HydrophobicContact CE1-CZ2 3.99Å; F261-W318 HydrophobicContact CE2-CZ2 4.3Å; F261-W318 AromaticContact CG-CH2 3.81Å; F261-W318 HydrophobicContact CG-CH2 3.81Å; F261-W318 AromaticContact CG-CZ2 3.52Å; F261-W318 HydrophobicContact CG-CZ2 3.52Å; F261-W318 HydrophobicContact CZ-CZ2 4.34Å; P282-W318 HydrophobicContact CB-CB 4.32Å; P282-W318 HydrophobicContact CG-CB 3.83Å; Y315-W318 PolarHBondContact O-NE1 3.43Å; F316-W318 PolarHBondContact O-N 3Å; W318-K320 PolarHBondContact O-N 3.22Å; W318-D321 PolarHBondContact O-N 3.26Å; W318-D321 VanDerWaalsContact O-N 3.08Å; W318-F322 HydrophobicContact CB-CD2 4.41Å; W318-F322 HydrophobicContact CE3-CB 4.12Å; W318-F322 WeakPolarHBondContact O-CD2 3.45Å; W318-F322 PolarHBondContact O-N 3.3Å; W318-V324 HydrophobicContact CH2-CG2 3.75Å; W318-V324 HydrophobicContact CZ3-CG2 4.13Å
319	R	94.4	Very high	95.8	Very high	42 Å²	42	63.8 Å²	63.8	16%	0.158	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-69.5	-12.6	-178.8	-66.6	-177.7	149.3	-85	13.6	114	F180 F261 F316 N317 D321	F180-R319 HydrophobicContact CB-CB 4.08Å; F180-R319 HydrophobicContact CD1-CG 4.47Å; F180-R319 HydrophobicContact CG-CB 4.37Å; F180-R319 HydrophobicContact CG-CG 4.48Å; F261-R319 PolarHBondContact O-NH2 3.43Å; F316-R319 WeakPolarHBondContact O-CB 3.04Å; F316-R319 PolarHBondContact O-N 3.12Å; N317-R319 PolarHBondContact O-N 3.33Å; R319-D321 VanDerWaalsContact C-N 3.28Å
320	K	92.3	Very high	95.8	Very high	133 Å²	133	60 Å²	60	58%	0.578	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-68.2	-34.3	171.3	-64.8	170.8	-175.2	164.9	0	111.3	N317 W318	N317-K320 WeakPolarHBondContact O-CB 3.23Å; N317-K320 WeakPolarHBondContact O-CG 3.43Å; N317-K320 PolarHBondContact O-N 2.78Å; N317-K320 VanDerWaalsContact O-N 3.14Å; N317-K320 PolarHBondContact OD1-NZ 3.04Å; W318-K320 PolarHBondContact O-N 3.22Å
321	D	92.6	Very high	95.7	Very high	94 Å²	94	52.9 Å²	52.9	50%	0.503	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-19.2	-168.1	-54.2	-48.4	0	0	0	112.4	V173 S174 W318 R319	V173-D321 CarbonylContact C-O 3.36Å; V173-D321 WeakPolarHBondContact CA-O 3.42Å; S174-D321 PolarHBondContact N-O 3.08Å; W318-D321 PolarHBondContact O-N 3.26Å; W318-D321 VanDerWaalsContact O-N 3.08Å; R319-D321 VanDerWaalsContact C-N 3.28Å
322	F	95.2	Very high	95.7	Very high	62 Å²	62	50.6 Å²	50.6	27%	0.272	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	152.7	-173.5	-52.1	-80.4	0	0	0	114.9	L171 T172 V173 P282 W318	L171-F322 HydrophobicContact CB-CB 4.09Å; L171-F322 HydrophobicContact CB-CD1 4.36Å; L171-F322 HydrophobicContact CB-CG 4.35Å; L171-F322 HydrophobicContact CD1-CB 4.34Å; T172-F322 CarbonylContact O-C 3.56Å; T172-F322 WeakPolarHBondContact O-CA 3.36Å; V173-F322 HydrophobicContact CG2-CD1 4.35Å; V173-F322 HydrophobicContact CG2-CE1 4.03Å; P282-F322 HydrophobicContact CG-CD2 4.4Å; P282-F322 HydrophobicContact CG-CE2 4.21Å; W318-F322 HydrophobicContact CB-CD2 4.41Å; W318-F322 HydrophobicContact CE3-CB 4.12Å; W318-F322 WeakPolarHBondContact O-CD2 3.45Å; W318-F322 PolarHBondContact O-N 3.3Å
323	T	94.9	Very high	95.7	Very high	58 Å²	58	50.3 Å²	50.3	36%	0.356	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.2	170.2	57.4	0	0	0	0	110.7	L171 T172	L171-T323 CarbonylContact C-O 3.52Å; L171-T323 WeakPolarHBondContact CA-O 3.34Å; T172-T323 PolarHBondContact N-O 2.96Å; T172-T323 PolarHBondContact O-N 3.15Å; T172-T323 PolarHBondContact OG1-OG1 3.48Å
324	V	95.9	Very high	95.7	Very high	23 Å²	23	46.9 Å²	46.9	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.5	177.1	-180	0	0	0	0	109.6	L171 Y258 F261 L262 W318 L326	L171-V324 HydrophobicContact CD2-CB 4.49Å; L171-V324 HydrophobicContact CD2-CG2 3.78Å; Y258-V324 HydrophobicContact CD1-CG1 3.92Å; Y258-V324 HydrophobicContact CG-CG1 4.33Å; F261-V324 HydrophobicContact CB-CG2 3.61Å; F261-V324 HydrophobicContact CD2-CG2 4.01Å; F261-V324 HydrophobicContact CG-CG2 4.31Å; L262-V324 HydrophobicContact CD1-CG1 4.48Å; L262-V324 HydrophobicContact CD2-CB 3.99Å; L262-V324 HydrophobicContact CD2-CG1 4.07Å; L262-V324 HydrophobicContact CG-CB 4.37Å; L262-V324 HydrophobicContact CG-CG1 4.03Å; W318-V324 HydrophobicContact CH2-CG2 3.75Å; W318-V324 HydrophobicContact CZ3-CG2 4.13Å; V324-L326 HydrophobicContact CG1-CD2 4.33Å
325	N	95.6	Very high	95.7	Very high	59 Å²	59	45 Å²	45	32%	0.316	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.2	169.5	-64.1	-88.3	0	0	0	110	G169 F170 T172	G169-N325 CarbonylContact C-O 3.58Å; G169-N325 WeakPolarHBondContact CA-O 3.39Å; F170-N325 HydrophobicContact CD2-CB 4.1Å; F170-N325 HydrophobicContact CE1-CB 4.1Å; F170-N325 HydrophobicContact CE2-CB 3.63Å; F170-N325 HydrophobicContact CZ-CB 3.62Å; F170-N325 PolarHBondContact N-O 2.88Å; F170-N325 PolarHBondContact O-N 3.4Å; T172-N325 WeakPolarHBondContact CG2-ND2 3.45Å; T172-N325 PolarHBondContact OG1-ND2 3.29Å
326	L	95.8	Very high	95.7	Very high	78 Å²	78	47 Å²	47	41%	0.408	22%	0.224	S	C	.	.			trans	-113.8	138.6	173.1	-56.7	-178.1	0	0	0	108.2	Y168 Y258 L262 V324	Y168-L326 WeakPolarHBondContact O-CD2 3.15Å; Y258-L326 HydrophobicContact CD2-CD2 4.41Å; Y258-L326 HydrophobicContact CG-CD2 4.05Å; L262-L326 HydrophobicContact CD1-CD1 3.76Å; L262-L326 HydrophobicContact CD1-CG 4.3Å; V324-L326 HydrophobicContact CG1-CD2 4.33Å
327	P	94.5	Very high	95.8	Very high	20 Å²	20	46.2 Å²	46.2	13%	0.13	22%	0.221	C	C	.	.			trans	-66.2	154.1	173.3	-3.3	15.9	0	0	0	110.6	V166 P167 Y168 F329	V166-P327 HydrophobicContact CG1-CB 4.11Å; V166-P327 HydrophobicContact CG1-CG 4.13Å; P167-P327 WeakPolarHBondContact O-CG 3.41Å; Y168-P327 VanDerWaalsContact O-CD 3.23Å; Y168-P327 WeakPolarHBondContact O-CD 3.12Å; P327-F329 HydrophobicContact CB-CD2 4.11Å; P327-F329 HydrophobicContact CB-CE2 3.91Å; P327-F329 HydrophobicContact CG-CD2 4.34Å; P327-F329 HydrophobicContact CG-CE2 3.65Å; P327-F329 PolarHBondContact O-N 2.02Å
328	R	94.3	Very high	95.9	Very high	154 Å²	154	43.3 Å²	43.3	58%	0.581	21%	0.206	S	C	*	.			trans	-81.8	112	162.1	-69.3	-161.5	175.1	179.6	-0.5	109.9	M85 F86 E331 S332	M85-R328 PolarHBondContact SD-NH1 3.24Å; F86-R328 HydrophobicContact CZ-CB 4.29Å; R328-E331 PolarHBondContact O-N 3.32Å; R328-S332 PolarHBondContact N-OG 2.05Å; R328-S332 VanDerWaalsContact O-CB 3.29Å; R328-S332 WeakPolarHBondContact O-CB 3.48Å; R328-S332 PolarHBondContact O-N 2.72Å; R328-S332 PolarHBondContact O-OG 2.86Å
329	F	93.7	Very high	96	Very high	68 Å²	68	44.8 Å²	44.8	30%	0.298	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	123.9	173.9	-77.3	-121.3	0	0	0	107.7	L136 Y168 P327 E331 H333	L136-F329 HydrophobicContact CG-CE1 4.11Å; Y168-F329 HydrophobicContact CD1-CE1 4.4Å; Y168-F329 AromaticContact CD1-CZ 3.84Å; Y168-F329 HydrophobicContact CD1-CZ 3.84Å; Y168-F329 HydrophobicContact CE1-CE1 4.15Å; Y168-F329 HydrophobicContact CE1-CZ 4.05Å; Y168-F329 HydrophobicContact CG-CZ 4.32Å; P327-F329 HydrophobicContact CB-CD2 4.11Å; P327-F329 HydrophobicContact CB-CE2 3.91Å; P327-F329 HydrophobicContact CG-CD2 4.34Å; P327-F329 HydrophobicContact CG-CE2 3.65Å; P327-F329 PolarHBondContact O-N 2.02Å; F329-E331 VanDerWaalsContact C-OE2 3.26Å; F329-H333 AromaticContact CD1-CE1 3.45Å; F329-H333 VanDerWaalsContact CD1-CE1 3.45Å; F329-H333 WeakPolarHBondContact CD1-CE1 3.42Å; F329-H333 AromaticContact CD2-CE1 3.86Å; F329-H333 AromaticContact CE1-CE1 3.48Å; F329-H333 VanDerWaalsContact CE1-CE1 3.48Å; F329-H333 WeakPolarHBondContact CE1-CE1 3.26Å; F329-H333 AromaticContact CE1-NE2 3.7Å; F329-H333 AromaticContact CE2-CE1 3.9Å; F329-H333 AromaticContact CG-CE1 3.64Å; F329-H333 AromaticContact CZ-CE1 3.7Å; F329-H333 AromaticContact CZ-NE2 3.96Å
330	W	95.8	Very high	96.2	Very high	17 Å²	17	43.6 Å²	43.6	6%	0.064	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	cis	-110.3	2.6	8.4	-62.1	94.6	0	0	0	113.3	P72 F73 F77 M134 L136 S332 H333 A334	P72-W330 HydrophobicContact CB-CD2 3.6Å; P72-W330 VanDerWaalsContact CB-CE2 3.4Å; P72-W330 HydrophobicContact CB-CE3 4.05Å; P72-W330 HydrophobicContact CB-CG 4.05Å; P72-W330 HydrophobicContact CB-CH2 4.11Å; P72-W330 HydrophobicContact CB-CZ2 3.68Å; P72-W330 HydrophobicContact CB-CZ3 4.28Å; P72-W330 HydrophobicContact CG-CB 4.38Å; P72-W330 HydrophobicContact CG-CD2 3.68Å; P72-W330 HydrophobicContact CG-CE3 3.99Å; P72-W330 HydrophobicContact CG-CG 3.84Å; F73-W330 AromaticContact CD2-CZ2 3.87Å; F73-W330 HydrophobicContact CD2-CZ2 3.87Å; F73-W330 HydrophobicContact CE2-CH2 4.2Å; F73-W330 AromaticContact CE2-CZ2 3.92Å; F73-W330 HydrophobicContact CE2-CZ2 3.92Å; F77-W330 HydrophobicContact CD1-CB 3.52Å; F77-W330 HydrophobicContact CD1-CG 4.34Å; F77-W330 HydrophobicContact CE1-CB 3.57Å; F77-W330 HydrophobicContact CE1-CG 4.49Å; F77-W330 HydrophobicContact CG-CB 4.22Å; F77-W330 HydrophobicContact CZ-CB 4.34Å; M134-W330 HydrophobicContact CE-CE3 4.19Å; M134-W330 HydrophobicContact CE-CZ3 4.47Å; M134-W330 HydrophobicContact SD-CE3 4.37Å; L136-W330 HydrophobicContact CD2-CZ3 3.85Å; L136-W330 HydrophobicContact CG-CZ3 4.21Å; W330-S332 VanDerWaalsContact C-N 3.32Å; W330-S332 PolarHBondContact O-N 3.33Å; W330-H333 AromaticContact CE3-ND1 3.94Å; W330-H333 WeakPolarHBondContact O-CB 3Å; W330-H333 PolarHBondContact O-N 2.85Å; W330-A334 PolarHBondContact O-N 2.98Å
331	E	97.4	Very high	96.5	Very high	29 Å²	29	37.8 Å²	37.8	14%	0.136	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-43.8	-176.7	-62.3	88.2	159.1	0	0	112	F77 S81 F86 R328 F329 H333 A334 C335	F77-E331 HydrophobicContact CB-CG 3.98Å; F77-E331 HydrophobicContact CD2-CG 4.05Å; F77-E331 HydrophobicContact CG-CG 4.36Å; S81-E331 WeakPolarHBondContact OG-CG 3.44Å; F86-E331 HydrophobicContact CE2-CB 3.77Å; F86-E331 HydrophobicContact CZ-CB 3.98Å; R328-E331 PolarHBondContact O-N 3.32Å; F329-E331 VanDerWaalsContact C-OE2 3.26Å; E331-H333 PolarHBondContact O-N 3.25Å; E331-A334 PolarHBondContact O-N 3.13Å; E331-C335 VanDerWaalsContact O-CB 3.31Å; E331-C335 WeakPolarHBondContact O-CB 3.38Å; E331-C335 PolarHBondContact O-N 2.83Å; E331-C335 PolarHBondContact O-SG 3.5Å
332	S	97.2	Very high	96.6	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-37.5	179.8	-46.8	0	0	0	0	111.3	F86 R328 W330 L336	F86-S332 WeakPolarHBondContact CE1-OG 3.47Å; F86-S332 VanDerWaalsContact CZ-OG 3.28Å; F86-S332 WeakPolarHBondContact CZ-OG 3.29Å; R328-S332 PolarHBondContact N-OG 2.05Å; R328-S332 VanDerWaalsContact O-CB 3.29Å; R328-S332 WeakPolarHBondContact O-CB 3.48Å; R328-S332 PolarHBondContact O-N 2.72Å; R328-S332 PolarHBondContact O-OG 2.86Å; W330-S332 VanDerWaalsContact C-N 3.32Å; W330-S332 PolarHBondContact O-N 3.33Å; S332-L336 WeakPolarHBondContact O-CB 2.97Å; S332-L336 WeakPolarHBondContact O-CD1 3.21Å; S332-L336 WeakPolarHBondContact O-CG 3.07Å; S332-L336 PolarHBondContact O-N 3.47Å
333	H	97.9	Very high	96.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-69.2	-49.3	-178.6	-57.3	72.3	0	0	0	110.4	M134 L156 F329 W330 E331 A337	M134-H333 HydrophobicContact SD-CB 3.66Å; L156-H333 HydrophobicContact CD1-CB 4.15Å; L156-H333 WeakPolarHBondContact CD1-O 3.4Å; L156-H333 HydrophobicContact CD2-CB 4.12Å; L156-H333 VanDerWaalsContact CD2-CD2 3.47Å; L156-H333 WeakPolarHBondContact CD2-CD2 3.27Å; F329-H333 AromaticContact CD1-CE1 3.45Å; F329-H333 VanDerWaalsContact CD1-CE1 3.45Å; F329-H333 WeakPolarHBondContact CD1-CE1 3.42Å; F329-H333 AromaticContact CD2-CE1 3.86Å; F329-H333 AromaticContact CE1-CE1 3.48Å; F329-H333 VanDerWaalsContact CE1-CE1 3.48Å; F329-H333 WeakPolarHBondContact CE1-CE1 3.26Å; F329-H333 AromaticContact CE1-NE2 3.7Å; F329-H333 AromaticContact CE2-CE1 3.9Å; F329-H333 AromaticContact CG-CE1 3.64Å; F329-H333 AromaticContact CZ-CE1 3.7Å; F329-H333 AromaticContact CZ-NE2 3.96Å; W330-H333 AromaticContact CE3-ND1 3.94Å; W330-H333 WeakPolarHBondContact O-CB 3Å; W330-H333 PolarHBondContact O-N 2.85Å; E331-H333 PolarHBondContact O-N 3.25Å; H333-A337 WeakPolarHBondContact O-CB 3.5Å; H333-A337 PolarHBondContact O-N 3.42Å
334	A	98.3	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-40.6	179.3	0	0	0	0	0	112.4	F77 L93 L107 W330 E331 A337 C338	F77-A334 HydrophobicContact CE2-CB 3.68Å; F77-A334 HydrophobicContact CZ-CB 3.75Å; L93-A334 HydrophobicContact CD1-CB 3.62Å; L93-A334 HydrophobicContact CD2-CB 4.17Å; L107-A334 HydrophobicContact CD2-CB 4.14Å; W330-A334 PolarHBondContact O-N 2.98Å; E331-A334 PolarHBondContact O-N 3.13Å; A334-A337 WeakPolarHBondContact O-CB 3.44Å; A334-A337 PolarHBondContact O-N 2.71Å; A334-C338 PolarHBondContact O-N 2.79Å
335	C	98.4	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-72.4	-41.7	-179.9	-63.6	0	0	0	0	112.6	C82 F86 I88 E331 A337 C338 D339	C82-C335 WeakPolarHBondContact CA-SG 3.41Å; C82-C335 HydrophobicContact CB-CB 3.8Å; C82-C335 WeakPolarHBondContact CB-SG 2.97Å; C82-C335 WeakPolarHBondContact SG-CA 3.34Å; C82-C335 WeakPolarHBondContact SG-CB 3.34Å; C82-C335 CovalentContact SG-SG 2.05Å; C82-C335 PolarHBondContact SG-SG 3.14Å; F86-C335 HydrophobicContact CD2-CB 3.9Å; F86-C335 HydrophobicContact CE2-CB 4.33Å; F86-C335 HydrophobicContact CG-CB 4.39Å; I88-C335 HydrophobicContact CD1-CB 3.95Å; E331-C335 VanDerWaalsContact O-CB 3.31Å; E331-C335 WeakPolarHBondContact O-CB 3.38Å; E331-C335 PolarHBondContact O-N 2.83Å; E331-C335 PolarHBondContact O-SG 3.5Å; C335-A337 VanDerWaalsContact C-N 3.31Å; C335-A337 PolarHBondContact O-N 2.88Å; C335-C338 WeakPolarHBondContact O-CB 3.5Å; C335-C338 PolarHBondContact O-N 2.8Å; C335-D339 PolarHBondContact O-N 3.17Å
336	L	98.2	Very high	96.2	Very high	60 Å²	60	49.3 Å²	49.3	31%	0.314	22%	0.223	S	C	.	.	H	α-helix	trans	-68.2	-32.2	174.2	-68.9	170.6	0	0	0	112	I88 I164 V166 S332 D339 H340	I88-L336 HydrophobicContact CD1-CD2 4.23Å; I164-L336 HydrophobicContact CG2-CB 4.02Å; V166-L336 HydrophobicContact CG2-CD1 3.77Å; S332-L336 WeakPolarHBondContact O-CB 2.97Å; S332-L336 WeakPolarHBondContact O-CD1 3.21Å; S332-L336 WeakPolarHBondContact O-CG 3.07Å; S332-L336 PolarHBondContact O-N 3.47Å; L336-D339 PolarHBondContact O-N 2.69Å; L336-H340 WeakPolarHBondContact O-CB 3.37Å; L336-H340 PolarHBondContact O-N 3.25Å
337	A	98.4	Very high	96.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-45.9	169.2	0	0	0	0	0	111.8	I132 L156 I164 H333 A334 C335 H340 V341	I132-A337 HydrophobicContact CD1-CB 3.8Å; L156-A337 HydrophobicContact CD1-CB 3.9Å; I164-A337 HydrophobicContact CD1-CB 4.17Å; H333-A337 WeakPolarHBondContact O-CB 3.5Å; H333-A337 PolarHBondContact O-N 3.42Å; A334-A337 WeakPolarHBondContact O-CB 3.44Å; A334-A337 PolarHBondContact O-N 2.71Å; C335-A337 VanDerWaalsContact C-N 3.31Å; C335-A337 PolarHBondContact O-N 2.88Å; A337-H340 PolarHBondContact O-N 2.94Å; A337-V341 VanDerWaalsContact O-CG2 3.25Å; A337-V341 WeakPolarHBondContact O-CG2 3.39Å; A337-V341 PolarHBondContact O-N 3.11Å
338	C	98.3	Very high	96	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-50.3	175.7	-179.8	0	0	0	0	112.1	I66 C91 L93 A334 C335 H340 V341 K342	I66-C338 HydrophobicContact CD1-CB 4.28Å; I66-C338 HydrophobicContact CG1-CB 3.57Å; C91-C338 WeakPolarHBondContact CA-SG 3.46Å; C91-C338 HydrophobicContact CB-CB 3.91Å; C91-C338 WeakPolarHBondContact CB-SG 3.34Å; C91-C338 WeakPolarHBondContact SG-CB 3.4Å; C91-C338 CovalentContact SG-SG 2.02Å; C91-C338 PolarHBondContact SG-SG 3.23Å; L93-C338 HydrophobicContact CD2-CB 4.32Å; A334-C338 PolarHBondContact O-N 2.79Å; C335-C338 WeakPolarHBondContact O-CB 3.5Å; C335-C338 PolarHBondContact O-N 2.8Å; C338-H340 VanDerWaalsContact C-N 3.33Å; C338-H340 PolarHBondContact O-N 3.39Å; C338-V341 PolarHBondContact O-N 3.48Å; C338-K342 WeakPolarHBondContact O-CB 3.47Å; C338-K342 PolarHBondContact O-N 3.45Å
339	D	97.6	Very high	96	Very high	38 Å²	38	52.1 Å²	52.1	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-41.4	179.6	-177.2	52.4	0	0	0	112.2	I88 C335 L336 K342 R343	I88-D339 HydrophobicContact CD1-CB 3.95Å; I88-D339 HydrophobicContact CG1-CB 4.28Å; I88-D339 HydrophobicContact CG2-CB 3.82Å; C335-D339 PolarHBondContact O-N 3.17Å; L336-D339 PolarHBondContact O-N 2.69Å; D339-K342 PolarHBondContact O-N 2.86Å; D339-R343 VanDerWaalsContact CG-NE 3.29Å; D339-R343 WeakPolarHBondContact O-CB 3.46Å; D339-R343 WeakPolarHBondContact O-CG 3.07Å; D339-R343 PolarHBondContact O-N 2.78Å; D339-R343 PolarHBondContact O-NE 3.45Å; D339-R343 IonicContact OD1-NE 3.27Å; D339-R343 PolarHBondContact OD1-NE 2.84Å; D339-R343 IonicContact OD2-CZ 2.87Å; D339-R343 IonicContact OD2-NE 3.56Å; D339-R343 PolarHBondContact OD2-NE 3.38Å; D339-R343 IonicContact OD2-NH2 2.65Å; D339-R343 PolarHBondContact OD2-NH2 2.91Å
340	H	98.1	Very high	96	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-47.9	175.5	-177.5	106.3	0	0	0	112.1	D163 I164 L336 A337 C338 K342 R343 H344	D163-H340 PolarHBondContact O-CE1 3.15Å; D163-H340 PolarHBondContact O-ND1 2.91Å; D163-H340 VanDerWaalsContact O-ND1 3.07Å; I164-H340 HydrophobicContact CD1-CB 3.95Å; I164-H340 HydrophobicContact CG1-CB 3.58Å; I164-H340 VanDerWaalsContact CG1-CG 3.46Å; L336-H340 WeakPolarHBondContact O-CB 3.37Å; L336-H340 PolarHBondContact O-N 3.25Å; A337-H340 PolarHBondContact O-N 2.94Å; C338-H340 VanDerWaalsContact C-N 3.33Å; C338-H340 PolarHBondContact O-N 3.39Å; H340-K342 VanDerWaalsContact C-N 3.27Å; H340-K342 PolarHBondContact O-N 3.39Å; H340-R343 PolarHBondContact O-N 2.74Å; H340-H344 AromaticContact CD2-ND1 3.75Å; H340-H344 AromaticContact CE1-CE1 3.95Å; H340-H344 AromaticContact CE1-ND1 3.55Å; H340-H344 AromaticContact CG-ND1 3.71Å; H340-H344 AromaticContact ND1-CE1 3.93Å; H340-H344 AromaticContact ND1-ND1 3.59Å; H340-H344 AromaticContact NE2-CG 3.94Å; H340-H344 AromaticContact NE2-ND1 3.66Å; H340-H344 WeakPolarHBondContact O-CB 3.29Å; H340-H344 PolarHBondContact O-N 3.09Å; H340-H344 PolarHBondContact O-ND1 2.86Å; H340-H344 VanDerWaalsContact O-ND1 3.11Å
341	V	97.6	Very high	95.5	Very high	11 Å²	11	51.4 Å²	51.4	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-37.1	179.9	170.4	0	0	0	0	111.1	T64 I66 H104 A105 I132 L154 A337 C338	T64-V341 HydrophobicContact CG2-CB 4.11Å; T64-V341 HydrophobicContact CG2-CG1 3.75Å; I66-V341 HydrophobicContact CD1-CB 4.19Å; I66-V341 HydrophobicContact CD1-CG1 4.38Å; I66-V341 HydrophobicContact CD1-CG2 4.1Å; H104-V341 HydrophobicContact CB-CG1 3.96Å; A105-V341 HydrophobicContact CB-CG1 4.29Å; A105-V341 HydrophobicContact CB-CG2 3.71Å; I132-V341 HydrophobicContact CD1-CG2 3.9Å; L154-V341 HydrophobicContact CD1-CG2 4.02Å; A337-V341 VanDerWaalsContact O-CG2 3.25Å; A337-V341 WeakPolarHBondContact O-CG2 3.39Å; A337-V341 PolarHBondContact O-N 3.11Å; C338-V341 PolarHBondContact O-N 3.48Å
342	K	95.5	Very high	95.3	Very high	79 Å²	79	53.1 Å²	53.1	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-43.6	175.3	-173.5	179.2	-176.7	-178.6	0	111.9	T64 Q89 C338 D339 H340	T64-K342 HydrophobicContact CG2-CB 4.48Å; T64-K342 WeakPolarHBondContact OG1-CB 3.39Å; Q89-K342 PolarHBondContact O-NZ 2.95Å; C338-K342 WeakPolarHBondContact O-CB 3.47Å; C338-K342 PolarHBondContact O-N 3.45Å; D339-K342 PolarHBondContact O-N 2.86Å; H340-K342 VanDerWaalsContact C-N 3.27Å; H340-K342 PolarHBondContact O-N 3.39Å
343	R	95.3	Very high	95.2	Very high	146 Å²	146	52.9 Å²	52.9	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-80.2	-28.9	-176.7	-70.4	-174.9	-74	111.7	-5.1	114.1	D339 H340	D339-R343 VanDerWaalsContact CG-NE 3.29Å; D339-R343 WeakPolarHBondContact O-CB 3.46Å; D339-R343 WeakPolarHBondContact O-CG 3.07Å; D339-R343 PolarHBondContact O-N 2.78Å; D339-R343 PolarHBondContact O-NE 3.45Å; D339-R343 IonicContact OD1-NE 3.27Å; D339-R343 PolarHBondContact OD1-NE 2.84Å; D339-R343 IonicContact OD2-CZ 2.87Å; D339-R343 IonicContact OD2-NE 3.56Å; D339-R343 PolarHBondContact OD2-NE 3.38Å; D339-R343 IonicContact OD2-NH2 2.65Å; D339-R343 PolarHBondContact OD2-NH2 2.91Å; H340-R343 PolarHBondContact O-N 2.74Å
344	H	95.1	Very high	94.8	Very high	59 Å²	59	54.9 Å²	54.9	27%	0.273	27%	0.268	S	S	.	.			trans	-119.2	92.5	-175.2	-57.5	99	0	0	0	109.9	K130 H340 E346	K130-H344 PolarHBondContact NZ-O 3.25Å; H340-H344 AromaticContact CD2-ND1 3.75Å; H340-H344 AromaticContact CE1-CE1 3.95Å; H340-H344 AromaticContact CE1-ND1 3.55Å; H340-H344 AromaticContact CG-ND1 3.71Å; H340-H344 AromaticContact ND1-CE1 3.93Å; H340-H344 AromaticContact ND1-ND1 3.59Å; H340-H344 AromaticContact NE2-CG 3.94Å; H340-H344 AromaticContact NE2-ND1 3.66Å; H340-H344 WeakPolarHBondContact O-CB 3.29Å; H340-H344 PolarHBondContact O-N 3.09Å; H340-H344 PolarHBondContact O-ND1 2.86Å; H340-H344 VanDerWaalsContact O-ND1 3.11Å; H344-E346 WeakPolarHBondContact CA-OE2 3.49Å; H344-E346 WeakPolarHBondContact CB-OE1 3.38Å; H344-E346 IonicContact CD2-OE1 2.65Å; H344-E346 IonicContact CG-OE1 2.78Å
345	Q	90.3	Very high	94.5	Very high	153 Å²	153	61.7 Å²	61.7	72%	0.715	30%	0.297	S	S	*	.			trans	-94.5	-6.8	-176.9	-64.1	-175.2	-10.3	0	0	113.3
346	E	93.3	Very high	94.4	Very high	101 Å²	101	64.2 Å²	64.2	47%	0.472	31%	0.307	S	S	.	.	S	Bend	trans	-65.4	153.4	-179.8	69.3	-78.1	-176.9	0	0	112.7	K130 H344 K348	K130-E346 WeakPolarHBondContact CE-O 3.27Å; K130-E346 PolarHBondContact NZ-O 3.29Å; H344-E346 WeakPolarHBondContact CA-OE2 3.49Å; H344-E346 WeakPolarHBondContact CB-OE1 3.38Å; H344-E346 IonicContact CD2-OE1 2.65Å; H344-E346 IonicContact CG-OE1 2.78Å; E346-K348 PolarHBondContact O-N 2.92Å
347	Y	92.2	Very high	94.3	Very high	187 Å²	187	61.5 Å²	61.5	73%	0.733	29%	0.292	S	S	*	.			trans	-64.1	134.8	172.8	176.2	-91.7	0	0	0	110.3
348	K	93.6	Very high	94.1	Very high	75 Å²	75	63.4 Å²	63.4	33%	0.326	30%	0.3	S	S	.	.			trans	-152.6	148.1	178.3	-174.3	164.3	176.4	164.1	0	110.3	N153 L154 D163 E346	N153-K348 WeakPolarHBondContact CB-O 3.48Å; N153-K348 PolarHBondContact ND2-O 3.1Å; L154-K348 HydrophobicContact CD2-CD 3.94Å; D163-K348 WeakPolarHBondContact OD1-CE 3.44Å; D163-K348 IonicContact OD1-NZ 3.22Å; D163-K348 PolarHBondContact OD1-NZ 2.96Å; E346-K348 PolarHBondContact O-N 2.92Å
349	S	93.9	Very high	93.5	Very high	49 Å²	49	71.5 Å²	71.5	34%	0.343	34%	0.343	S	S	.	.			trans	-136.2	144.1	171.6	-162.5	0	0	0	0	109.6	G351	S349-G351 PolarHBondContact O-N 2.73Å
350	V	93.1	Very high	93.3	Very high	15 Å²	15	73.2 Å²	73.2	9%	0.091	35%	0.35	C	S	.	.			trans	-74	117.5	164.1	-176.7	0	0	0	0	106.5	F152 T155 L353	F152-V350 HydrophobicContact CB-CG2 4.23Å; F152-V350 WeakPolarHBondContact O-CB 3.45Å; F152-V350 PolarHBondContact O-N 3.27Å; T155-V350 HydrophobicContact CG2-CG1 4.19Å; T155-V350 HydrophobicContact CG2-CG2 3.67Å; V350-L353 HydrophobicContact CG1-CB 4.06Å; V350-L353 HydrophobicContact CG1-CD1 4.09Å
351	G	86.8	Confident	93.1	Very high	55 Å²	55	76.2 Å²	76.2	57%	0.567	36%	0.364	S	S	*	.	S	Bend	trans	-62.9	-61.6	-172.4	0	0	0	0	0	112.3	H150 S349	H150-G351 PolarHBondContact CE1-O 3.46Å; H150-G351 PolarHBondContact ND1-O 2.99Å; S349-G351 PolarHBondContact O-N 2.73Å
352	N	91.5	Very high	92.8	Very high	64 Å²	64	79.8 Å²	79.8	34%	0.342	38%	0.381	S	S	.	.			trans	-139.3	104.3	172.1	-178.9	-37.9	0	0	0	107.6	E354 K355 W356	N352-E354 VanDerWaalsContact C-N 3.28Å; N352-E354 PolarHBondContact O-N 3.15Å; N352-E354 WeakPolarHBondContact OD1-CA 3.47Å; N352-E354 WeakPolarHBondContact OD1-CB 3.49Å; N352-E354 PolarHBondContact OD1-N 3.09Å; N352-K355 HydrophobicContact CB-CB 4.03Å; N352-K355 PolarHBondContact OD1-N 3.48Å; N352-W356 PolarHBondContact O-N 3.07Å; N352-W356 VanDerWaalsContact O-N 3.12Å
353	L	95	Very high	92.7	Very high	1 Å²	1	79.8 Å²	79.8	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-62.2	-38.8	-178	-178.8	68.7	0	0	0	111.5	W133 I148 E149 F152 T155 V350 W356 F357 W358	W133-L353 HydrophobicContact CD2-CD1 3.78Å; W133-L353 HydrophobicContact CD2-CD2 3.87Å; W133-L353 HydrophobicContact CD2-CG 4.39Å; W133-L353 HydrophobicContact CE3-CD1 3.75Å; W133-L353 HydrophobicContact CG-CD1 4.13Å; W133-L353 HydrophobicContact CG-CD2 3.76Å; W133-L353 HydrophobicContact CZ2-CD2 4.45Å; W133-L353 HydrophobicContact CZ3-CD1 4.18Å; I148-L353 HydrophobicContact CD1-CD2 4.2Å; I148-L353 HydrophobicContact CG1-CD2 4.3Å; E149-L353 PolarHBondContact O-N 3.1Å; E149-L353 VanDerWaalsContact O-N 3.09Å; F152-L353 HydrophobicContact CD2-CD2 3.77Å; F152-L353 HydrophobicContact CE2-CD2 4.01Å; T155-L353 HydrophobicContact CG2-CD1 4.02Å; V350-L353 HydrophobicContact CG1-CB 4.06Å; V350-L353 HydrophobicContact CG1-CD1 4.09Å; L353-W356 HydrophobicContact CD1-CE3 3.95Å; L353-W356 HydrophobicContact CD1-CZ3 4.14Å; L353-W356 PolarHBondContact O-N 3.26Å; L353-F357 WeakPolarHBondContact O-CB 3.41Å; L353-F357 PolarHBondContact O-N 2.96Å; L353-W358 HydrophobicContact CG-CZ3 4.26Å
354	E	90.5	Very high	92.5	Very high	42 Å²	42	75.7 Å²	75.7	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-51.4	-179.4	-67.9	-172	159	0	0	111.8	E149 N352 W356 F357 W358	E149-E354 HydrophobicContact CB-CG 4.48Å; E149-E354 HydrophobicContact CG-CG 3.77Å; N352-E354 VanDerWaalsContact C-N 3.28Å; N352-E354 PolarHBondContact O-N 3.15Å; N352-E354 WeakPolarHBondContact OD1-CA 3.47Å; N352-E354 WeakPolarHBondContact OD1-CB 3.49Å; N352-E354 PolarHBondContact OD1-N 3.09Å; E354-W356 VanDerWaalsContact C-N 3.28Å; E354-W356 PolarHBondContact O-N 2.98Å; E354-F357 PolarHBondContact O-N 3.13Å; E354-W358 VanDerWaalsContact CA-CE3 3.48Å; E354-W358 HydrophobicContact CB-CE3 4.32Å; E354-W358 HydrophobicContact CG-CE3 4.43Å; E354-W358 HydrophobicContact CG-CZ3 4.29Å; E354-W358 WeakPolarHBondContact O-CB 3.38Å; E354-W358 PolarHBondContact O-N 2.86Å
355	K	92.8	Very high	92.3	Very high	143 Å²	143	76.8 Å²	76.8	62%	0.622	38%	0.379	S	S	*	.	H	α-helix	trans	-62.1	-36.5	178.4	-176.9	178.7	177.3	-179.3	0	112.2	N352 N359	N352-K355 HydrophobicContact CB-CB 4.03Å; N352-K355 PolarHBondContact OD1-N 3.48Å; K355-N359 WeakPolarHBondContact O-CB 3.34Å
356	W	94.8	Very high	92.5	Very high	53 Å²	53	71.4 Å²	71.4	20%	0.201	36%	0.355	C	S	.	.	H	α-helix	trans	-74.6	-43	-179.1	169.4	76.3	0	0	0	112.3	W133 T155 T157 R159 D161 N352 L353 E354	W133-W356 HydrophobicContact CE3-CZ3 4.23Å; W133-W356 AromaticContact CZ3-CZ3 3.87Å; W133-W356 HydrophobicContact CZ3-CZ3 3.87Å; T155-W356 HydrophobicContact CG2-CE3 3.96Å; T155-W356 HydrophobicContact CG2-CH2 3.85Å; T155-W356 HydrophobicContact CG2-CZ3 3.52Å; T157-W356 HydrophobicContact CG2-CH2 3.89Å; T157-W356 HydrophobicContact CG2-CZ3 4.31Å; R159-W356 PolarHBondContact NH1-O 3.29Å; R159-W356 PolarHBondContact NH2-O 3.39Å; D161-W356 PolarHBondContact OD1-NE1 2.74Å; N352-W356 PolarHBondContact O-N 3.07Å; N352-W356 VanDerWaalsContact O-N 3.12Å; L353-W356 HydrophobicContact CD1-CE3 3.95Å; L353-W356 HydrophobicContact CD1-CZ3 4.14Å; L353-W356 PolarHBondContact O-N 3.26Å; E354-W356 VanDerWaalsContact C-N 3.28Å; E354-W356 PolarHBondContact O-N 2.98Å
357	F	96.4	Very high	92.4	Very high	3 Å²	3	69.1 Å²	69.1	1%	0.013	35%	0.346	C	S	.	.	H	α-helix	trans	-89.3	-39.9	-171	-172.5	-107.4	0	0	0	113.5	W133 N135 E137 P139 T142 L353 E354	W133-F357 HydrophobicContact CH2-CB 4.32Å; W133-F357 AromaticContact CH2-CD1 3.61Å; W133-F357 HydrophobicContact CH2-CD1 3.61Å; W133-F357 AromaticContact CH2-CD2 3.74Å; W133-F357 HydrophobicContact CH2-CD2 3.74Å; W133-F357 AromaticContact CH2-CE1 3.77Å; W133-F357 HydrophobicContact CH2-CE1 3.77Å; W133-F357 AromaticContact CH2-CE2 3.89Å; W133-F357 HydrophobicContact CH2-CE2 3.89Å; W133-F357 AromaticContact CH2-CG 3.6Å; W133-F357 HydrophobicContact CH2-CG 3.6Å; W133-F357 AromaticContact CH2-CZ 3.91Å; W133-F357 HydrophobicContact CH2-CZ 3.91Å; W133-F357 HydrophobicContact CZ2-CD1 4.34Å; W133-F357 HydrophobicContact CZ3-CD1 4.48Å; W133-F357 AromaticContact CZ3-CD2 3.83Å; W133-F357 HydrophobicContact CZ3-CD2 3.83Å; W133-F357 HydrophobicContact CZ3-CE2 4.12Å; W133-F357 HydrophobicContact CZ3-CG 4.04Å; N135-F357 WeakPolarHBondContact ND2-CZ 3.42Å; E137-F357 VanDerWaalsContact O-CZ 3.29Å; E137-F357 WeakPolarHBondContact O-CZ 3.14Å; P139-F357 HydrophobicContact CB-CE1 4.21Å; P139-F357 HydrophobicContact CG-CD1 4.18Å; P139-F357 HydrophobicContact CG-CE1 3.84Å; P139-F357 HydrophobicContact CG-CE2 4.46Å; P139-F357 HydrophobicContact CG-CZ 3.97Å; P139-F357 WeakPolarHBondContact CG-O 3.44Å; T142-F357 HydrophobicContact CG2-CE1 3.88Å; L353-F357 WeakPolarHBondContact O-CB 3.41Å; L353-F357 PolarHBondContact O-N 2.96Å; E354-F357 PolarHBondContact O-N 3.13Å
358	W	94.6	Very high	92.4	Very high	41 Å²	41	59.3 Å²	59.3	16%	0.155	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-22	-174	-72.3	-95.5	0	0	0	115.3	W133 P139 T142 Q144 L353 E354	W133-W358 HydrophobicContact CZ2-CH2 4.22Å; P139-W358 HydrophobicContact CB-CG 4.33Å; T142-W358 HydrophobicContact CG2-CH2 4.34Å; T142-W358 HydrophobicContact CG2-CZ2 3.59Å; T142-W358 PolarHBondContact O-NE1 2.99Å; Q144-W358 HydrophobicContact CB-CZ2 4.39Å; Q144-W358 HydrophobicContact CG-CD2 3.61Å; Q144-W358 HydrophobicContact CG-CE3 4.27Å; Q144-W358 HydrophobicContact CG-CG 3.86Å; Q144-W358 HydrophobicContact CG-CH2 4.36Å; Q144-W358 HydrophobicContact CG-CZ2 3.74Å; Q144-W358 VanDerWaalsContact NE2-CB 3.25Å; L353-W358 HydrophobicContact CG-CZ3 4.26Å; E354-W358 VanDerWaalsContact CA-CE3 3.48Å; E354-W358 HydrophobicContact CB-CE3 4.32Å; E354-W358 HydrophobicContact CG-CE3 4.43Å; E354-W358 HydrophobicContact CG-CZ3 4.29Å; E354-W358 WeakPolarHBondContact O-CB 3.38Å; E354-W358 PolarHBondContact O-N 2.86Å
359	N	86.3	Confident	92.3	Very high	170 Å²	170	57.8 Å²	57.8	91%	0.909	31%	0.313	S	S	*	.			trans	-103.4	0	-174.8	-63.1	-18.8	0	0	0	113.8	K355	K355-N359 WeakPolarHBondContact O-CB 3.34Å

Retrieved 359 of 359 residues in 728 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).