G4VPX8_SCHMA Loading...

alanine transaminase

AlphaFold DB , UniProt , Accession G4VPX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 481 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	75.5	Confident	91.7	Very high	241 Å²	241	126.9 Å²	126.9	100%	1.187	67%	0.673	S	S	*	*				0	120.7	0	-109.3	-177.2	-163.6	0	0	106.9
2	D	86.7	Confident	91.9	Very high	162 Å²	162	122.8 Å²	122.8	87%	0.866	66%	0.659	S	S	*	*			trans	-65.5	151.4	173	-61.6	-36.3	0	0	0	109.9
3	K	91.8	Very high	92	Very high	176 Å²	176	115.5 Å²	115.5	77%	0.765	62%	0.62	S	S	*	*			trans	-68.7	135.3	176.6	-64.8	-66.7	-174	177.9	0	108.8	L5	K3-L5 WeakPolarHBondContact CB-O 3.5Å; K3-L5 PolarHBondContact O-N 3.37Å
4	V	94.1	Very high	92	Very high	139 Å²	139	114.4 Å²	114.4	84%	0.842	61%	0.611	S	S	*	*	S	Bend	trans	-60.3	-35.8	175.2	173.2	0	0	0	0	111.6
5	L	95.7	Very high	92.1	Very high	120 Å²	120	112.4 Å²	112.4	63%	0.628	60%	0.599	S	S	*	*			trans	-108.7	127.8	177.7	-59.4	179.2	0	0	0	109.9	K3 S9 I10	K3-L5 WeakPolarHBondContact CB-O 3.5Å; K3-L5 PolarHBondContact O-N 3.37Å; L5-S9 WeakPolarHBondContact CA-OG 3.27Å; L5-I10 HydrophobicContact CB-CG2 4.04Å; L5-I10 HydrophobicContact CD2-CG2 4.26Å
6	T	94.5	Very high	92	Very high	66 Å²	66	112.6 Å²	112.6	41%	0.405	59%	0.593	S	S	.	*			trans	-127.9	167.4	173.7	64.3	0	0	0	0	108.9	D8 S9 I10	T6-D8 PolarHBondContact O-N 2.77Å; T6-D8 PolarHBondContact OG1-N 2.77Å; T6-S9 PolarHBondContact N-OG 3.02Å; T6-S9 PolarHBondContact O-N 2.77Å; T6-S9 PolarHBondContact O-OG 3.49Å; T6-S9 PolarHBondContact OG1-N 2.89Å; T6-S9 PolarHBondContact OG1-OG 3.26Å; T6-I10 WeakPolarHBondContact O-CG2 3.44Å; T6-I10 PolarHBondContact O-N 3.42Å; T6-I10 VanDerWaalsContact O-N 3.14Å
7	L	93.1	Very high	92	Very high	126 Å²	126	109.1 Å²	109.1	66%	0.66	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-29.4	173.3	-70.7	176.3	0	0	0	111.8	S9 I10 I15	L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 3.32Å; L7-I10 HydrophobicContact CD2-CD1 4.21Å; L7-I15 HydrophobicContact CB-CD1 4.4Å; L7-I15 HydrophobicContact CD2-CD1 4.33Å; L7-I15 HydrophobicContact CD2-CG1 4.48Å; L7-I15 WeakPolarHBondContact O-CD1 3.4Å
8	D	93.4	Very high	91.6	Very high	162 Å²	162	112 Å²	112	87%	0.866	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-15.3	178.7	-58.1	-35.1	0	0	0	113.4	T6	T6-D8 PolarHBondContact O-N 2.77Å; T6-D8 PolarHBondContact OG1-N 2.77Å
9	S	93.8	Very high	91.1	Very high	64 Å²	64	110.1 Å²	110.1	45%	0.448	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.9	-10.6	-174	80.6	0	0	0	0	114.6	L5 T6 L7	L5-S9 WeakPolarHBondContact CA-OG 3.27Å; T6-S9 PolarHBondContact N-OG 3.02Å; T6-S9 PolarHBondContact O-N 2.77Å; T6-S9 PolarHBondContact O-OG 3.49Å; T6-S9 PolarHBondContact OG1-N 2.89Å; T6-S9 PolarHBondContact OG1-OG 3.26Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 3.32Å
10	I	95.9	Very high	90.2	Very high	61 Å²	61	106.1 Å²	106.1	31%	0.313	55%	0.553	S	S	.	*	S	Bend	trans	-86	169.2	174.7	64.2	173.2	0	0	0	110.9	L5 T6 L7 P12 I15	L5-I10 HydrophobicContact CB-CG2 4.04Å; L5-I10 HydrophobicContact CD2-CG2 4.26Å; T6-I10 WeakPolarHBondContact O-CG2 3.44Å; T6-I10 PolarHBondContact O-N 3.42Å; T6-I10 VanDerWaalsContact O-N 3.14Å; L7-I10 HydrophobicContact CD2-CD1 4.21Å; I10-P12 VanDerWaalsContact O-CD 3.27Å; I10-P12 WeakPolarHBondContact O-CD 3.29Å; I10-I15 HydrophobicContact CD1-CD1 4.1Å; I10-I15 HydrophobicContact CD1-CG1 3.83Å; I10-I15 HydrophobicContact CG1-CD1 3.84Å; I10-I15 HydrophobicContact CG1-CG1 4.03Å
11	N	94	Very high	89.5	Confident	79 Å²	79	102 Å²	102	42%	0.422	53%	0.532	S	S	.	.			trans	-55.1	114.4	176.8	179.1	-0.5	0	0	0	110.4	N13 M14	N11-N13 PolarHBondContact O-N 3.19Å; N11-N13 VanDerWaalsContact O-N 3.13Å; N11-N13 VanDerWaalsContact OD1-CB 3.3Å; N11-N13 WeakPolarHBondContact OD1-CB 3.34Å; N11-N13 PolarHBondContact OD1-N 3.07Å; N11-M14 HydrophobicContact CB-CB 4.36Å; N11-M14 HydrophobicContact CB-CG 3.85Å; N11-M14 WeakPolarHBondContact O-CB 3.04Å; N11-M14 PolarHBondContact O-N 3.42Å
12	P	93.8	Very high	89.5	Confident	78 Å²	78	100 Å²	100	51%	0.506	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-22.6	-177	25.9	-35.4	0	0	0	112.7	I10 M14 I15 K16	I10-P12 VanDerWaalsContact O-CD 3.27Å; I10-P12 WeakPolarHBondContact O-CD 3.29Å; P12-M14 VanDerWaalsContact C-N 3.33Å; P12-I15 PolarHBondContact O-N 3.15Å; P12-K16 WeakPolarHBondContact O-CG 3.3Å; P12-K16 PolarHBondContact O-N 3.38Å
13	N	94	Very high	89.4	Confident	28 Å²	28	93.1 Å²	93.1	15%	0.15	48%	0.478	C	S	.	.	H	α-helix	trans	-69.6	-32.4	175.1	-65.6	-17.6	0	0	0	112.1	N11 I15 K16 I17 S181 E182	N11-N13 PolarHBondContact O-N 3.19Å; N11-N13 VanDerWaalsContact O-N 3.13Å; N11-N13 VanDerWaalsContact OD1-CB 3.3Å; N11-N13 WeakPolarHBondContact OD1-CB 3.34Å; N11-N13 PolarHBondContact OD1-N 3.07Å; N13-I15 VanDerWaalsContact C-N 3.28Å; N13-I15 PolarHBondContact O-N 3.25Å; N13-K16 PolarHBondContact O-N 2.9Å; N13-I17 WeakPolarHBondContact O-CG1 3.48Å; N13-S181 VanDerWaalsContact CB-O 3.27Å; N13-S181 WeakPolarHBondContact CB-O 3.41Å; N13-E182 WeakPolarHBondContact CB-O 3.42Å
14	M	92.1	Very high	89.3	Confident	99 Å²	99	88.5 Å²	88.5	49%	0.488	47%	0.467	S	S	.	.	H	α-helix	trans	-65.9	-32.7	175.1	-69.2	-66.9	-61.7	0	0	112	N11 P12 K16 I17	N11-M14 HydrophobicContact CB-CB 4.36Å; N11-M14 HydrophobicContact CB-CG 3.85Å; N11-M14 WeakPolarHBondContact O-CB 3.04Å; N11-M14 PolarHBondContact O-N 3.42Å; P12-M14 VanDerWaalsContact C-N 3.33Å; M14-K16 VanDerWaalsContact C-N 3.32Å; M14-I17 HydrophobicContact CE-CD1 4.26Å; M14-I17 PolarHBondContact O-N 3.29Å; M14-I17 HydrophobicContact SD-CD1 3.79Å
15	I	92.6	Very high	89.3	Confident	85 Å²	85	82.2 Å²	82.2	44%	0.436	43%	0.428	S	S	.	.	H	α-helix	trans	-70	-33.3	178.2	-57.8	173.4	0	0	0	110.9	L7 I10 P12 N13 I17	L7-I15 HydrophobicContact CB-CD1 4.4Å; L7-I15 HydrophobicContact CD2-CD1 4.33Å; L7-I15 HydrophobicContact CD2-CG1 4.48Å; L7-I15 WeakPolarHBondContact O-CD1 3.4Å; I10-I15 HydrophobicContact CD1-CD1 4.1Å; I10-I15 HydrophobicContact CD1-CG1 3.83Å; I10-I15 HydrophobicContact CG1-CD1 3.84Å; I10-I15 HydrophobicContact CG1-CG1 4.03Å; P12-I15 PolarHBondContact O-N 3.15Å; N13-I15 VanDerWaalsContact C-N 3.28Å; N13-I15 PolarHBondContact O-N 3.25Å; I15-I17 VanDerWaalsContact C-N 3.26Å; I15-I17 PolarHBondContact O-N 3.03Å
16	K	91.3	Very high	89.1	Confident	115 Å²	115	77.8 Å²	77.8	50%	0.5	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.4	-179.8	-65.8	172.8	-175	174	0	114	P12 N13 M14 E18 S181	P12-K16 WeakPolarHBondContact O-CG 3.3Å; P12-K16 PolarHBondContact O-N 3.38Å; N13-K16 PolarHBondContact O-N 2.9Å; M14-K16 VanDerWaalsContact C-N 3.32Å; K16-E18 PolarHBondContact O-N 3.33Å; K16-S181 PolarHBondContact O-OG 3.37Å
17	I	91.6	Very high	89.1	Confident	54 Å²	54	80.8 Å²	80.8	28%	0.277	42%	0.415	S	S	.	.			trans	-73.6	118.5	-179.5	-64.7	175.1	0	0	0	109	N13 M14 I15 A178 E182	N13-I17 WeakPolarHBondContact O-CG1 3.48Å; M14-I17 HydrophobicContact CE-CD1 4.26Å; M14-I17 PolarHBondContact O-N 3.29Å; M14-I17 HydrophobicContact SD-CD1 3.79Å; I15-I17 VanDerWaalsContact C-N 3.26Å; I15-I17 PolarHBondContact O-N 3.03Å; I17-A178 HydrophobicContact CG2-CB 3.94Å; I17-E182 HydrophobicContact CD1-CB 3.85Å; I17-E182 HydrophobicContact CD1-CG 4.06Å; I17-E182 HydrophobicContact CG1-CB 4.31Å
18	E	85	Confident	89.2	Confident	161 Å²	161	77 Å²	77	75%	0.752	39%	0.392	S	S	*	.			trans	-114	132.7	171.3	-65.6	-176.7	-177	0	0	109.9	K16	K16-E18 PolarHBondContact O-N 3.33Å
19	Y	81.4	Confident	89.4	Confident	76 Å²	76	69.4 Å²	69.4	30%	0.298	35%	0.352	S	S	.	.			trans	-137.8	82	179.3	-162.1	-101.6	0	0	0	111.5	V21 R22 Y173 P174 A178	Y19-V21 HydrophobicContact CD1-CB 4.25Å; Y19-V21 HydrophobicContact CE1-CB 3.82Å; Y19-V21 HydrophobicContact CE1-CG2 4.49Å; Y19-V21 PolarHBondContact O-N 2.89Å; Y19-R22 HydrophobicContact CD1-CB 4.16Å; Y19-R22 HydrophobicContact CD1-CG 3.97Å; Y19-R22 HydrophobicContact CE1-CG 4.17Å; Y19-R22 PolarHBondContact O-N 2.94Å; Y19-Y173 PolarHBondContact OH-OH 3.39Å; Y19-P174 HydrophobicContact CD2-CB 3.9Å; Y19-P174 HydrophobicContact CE2-CB 4.02Å; Y19-A178 HydrophobicContact CD2-CB 4.16Å
20	A	73.7	Confident	89.5	Confident	30 Å²	30	70.7 Å²	70.7	25%	0.248	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-57.6	-25.9	-170	0	0	0	0	0	115.3	R22 G23 G441	A20-R22 PolarHBondContact O-N 3.42Å; A20-R22 VanDerWaalsContact O-N 3.14Å; A20-G23 PolarHBondContact O-N 3.31Å; A20-G441 VanDerWaalsContact CB-O 3.3Å; A20-G441 WeakPolarHBondContact CB-O 3.37Å
21	V	74.9	Confident	89.6	Confident	20 Å²	20	72.7 Å²	72.7	12%	0.121	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-65.3	-15.4	177.4	-174.4	0	0	0	0	112.3	Y19 V26 P174 F442	Y19-V21 HydrophobicContact CD1-CB 4.25Å; Y19-V21 HydrophobicContact CE1-CB 3.82Å; Y19-V21 HydrophobicContact CE1-CG2 4.49Å; Y19-V21 PolarHBondContact O-N 2.89Å; V21-V26 WeakPolarHBondContact O-CG2 3.36Å; V21-P174 HydrophobicContact CG2-CG 4.14Å; V21-F442 HydrophobicContact CG2-CE1 4.3Å; V21-F442 HydrophobicContact CG2-CZ 4.44Å
22	R	76.7	Confident	89.7	Confident	200 Å²	200	69 Å²	69	76%	0.755	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-118.8	26.9	172.7	-65.4	-172.5	174.3	-167.5	-0.6	112.6	Y19 A20	Y19-R22 HydrophobicContact CD1-CB 4.16Å; Y19-R22 HydrophobicContact CD1-CG 3.97Å; Y19-R22 HydrophobicContact CE1-CG 4.17Å; Y19-R22 PolarHBondContact O-N 2.94Å; A20-R22 PolarHBondContact O-N 3.42Å; A20-R22 VanDerWaalsContact O-N 3.14Å
23	G	83.6	Confident	89.9	Confident	16 Å²	16	67.4 Å²	67.4	17%	0.165	33%	0.328	C	S	.	.	S	Bend	trans	-80.1	-171.1	-176.6	0	0	0	0	0	115.5	A20 I25 V26 E27	A20-G23 PolarHBondContact O-N 3.31Å; G23-I25 VanDerWaalsContact C-N 3.28Å; G23-I25 PolarHBondContact O-N 2.95Å; G23-I25 VanDerWaalsContact O-N 3.1Å; G23-V26 WeakPolarHBondContact O-CB 3.46Å; G23-V26 PolarHBondContact O-N 3.14Å; G23-E27 PolarHBondContact O-N 2.94Å
24	P	90.3	Very high	90	Very high	80 Å²	80	72.2 Å²	72.2	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-56.3	-31.7	-170.8	-28.3	34.8	0	0	0	115.7	V26 E27 R28 F422	P24-V26 VanDerWaalsContact C-N 3.3Å; P24-V26 PolarHBondContact O-N 2.88Å; P24-E27 PolarHBondContact O-N 2.68Å; P24-R28 WeakPolarHBondContact O-CB 3.47Å; P24-R28 PolarHBondContact O-N 2.68Å; P24-F422 HydrophobicContact CB-CE2 4.14Å; P24-F422 HydrophobicContact CB-CZ 4.19Å; P24-F422 HydrophobicContact CG-CE2 4.43Å
25	I	93	Very high	90.3	Very high	6 Å²	6	68.8 Å²	68.8	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-37	176.2	-71.6	165.6	0	0	0	111	G23 R28 A29 F422 C425 L426 L429 P438	G23-I25 VanDerWaalsContact C-N 3.28Å; G23-I25 PolarHBondContact O-N 2.95Å; G23-I25 VanDerWaalsContact O-N 3.1Å; I25-R28 PolarHBondContact O-N 3.35Å; I25-A29 WeakPolarHBondContact O-CB 3.38Å; I25-A29 PolarHBondContact O-N 3.04Å; I25-F422 HydrophobicContact CD1-CD2 3.69Å; I25-F422 HydrophobicContact CD1-CE2 3.8Å; I25-F422 HydrophobicContact CD1-CG 4.36Å; I25-F422 HydrophobicContact CG1-CD2 4.14Å; I25-F422 HydrophobicContact CG1-CE2 3.69Å; I25-F422 HydrophobicContact CG1-CZ 4.17Å; I25-C425 HydrophobicContact CD1-CB 3.64Å; I25-L426 HydrophobicContact CG1-CB 4.5Å; I25-L429 HydrophobicContact CG2-CD2 3.9Å; I25-L429 VanDerWaalsContact O-CD2 3.3Å; I25-L429 WeakPolarHBondContact O-CD2 3.31Å; I25-P438 HydrophobicContact CD1-CG 3.9Å
26	V	92.3	Very high	90.5	Very high	28 Å²	28	66.5 Å²	66.5	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-72.2	-40.7	178.3	-176.8	0	0	0	0	110.8	V21 G23 P24 R28 A29 L30 N51	V21-V26 WeakPolarHBondContact O-CG2 3.36Å; G23-V26 WeakPolarHBondContact O-CB 3.46Å; G23-V26 PolarHBondContact O-N 3.14Å; P24-V26 VanDerWaalsContact C-N 3.3Å; P24-V26 PolarHBondContact O-N 2.88Å; V26-R28 VanDerWaalsContact C-N 3.3Å; V26-R28 PolarHBondContact O-N 3Å; V26-A29 WeakPolarHBondContact O-CB 3.49Å; V26-A29 PolarHBondContact O-N 2.86Å; V26-L30 WeakPolarHBondContact O-CG 3.37Å; V26-L30 PolarHBondContact O-N 3.44Å; V26-N51 VanDerWaalsContact CG2-ND2 3.28Å; V26-N51 WeakPolarHBondContact CG2-ND2 3.38Å
27	E	94	Very high	90.8	Very high	128 Å²	128	70.3 Å²	70.3	60%	0.598	33%	0.329	S	S	*	.	H	α-helix	trans	-59.9	-44.4	173.5	-63.5	179.4	165.3	0	0	110.9	G23 P24 A29 L30 Q31	G23-E27 PolarHBondContact O-N 2.94Å; P24-E27 PolarHBondContact O-N 2.68Å; E27-A29 PolarHBondContact O-N 3.11Å; E27-L30 PolarHBondContact O-N 3.3Å; E27-Q31 PolarHBondContact O-N 3.04Å
28	R	96.5	Very high	91	Very high	47 Å²	47	73.3 Å²	73.3	18%	0.177	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-40.8	175.2	-176	56.5	-178.6	144.4	10.5	112.2	P24 I25 V26 L30 Q31 I32 E35 L426 L429 E430	P24-R28 WeakPolarHBondContact O-CB 3.47Å; P24-R28 PolarHBondContact O-N 2.68Å; I25-R28 PolarHBondContact O-N 3.35Å; V26-R28 VanDerWaalsContact C-N 3.3Å; V26-R28 PolarHBondContact O-N 3Å; R28-L30 PolarHBondContact O-N 2.99Å; R28-Q31 WeakPolarHBondContact O-CB 3.37Å; R28-Q31 PolarHBondContact O-N 3.4Å; R28-I32 HydrophobicContact CG-CD1 4.1Å; R28-I32 WeakPolarHBondContact O-CG1 3.1Å; R28-I32 PolarHBondContact O-N 2.76Å; R28-E35 IonicContact CZ-OE1 3.28Å; R28-E35 IonicContact NH1-OE1 3.75Å; R28-E35 PolarHBondContact NH1-OE1 2.99Å; R28-E35 IonicContact NH1-OE2 2.68Å; R28-E35 IonicContact NH2-OE1 3.32Å; R28-E35 IonicContact NH2-OE2 2.89Å; R28-L426 HydrophobicContact CG-CD1 4.21Å; R28-L429 HydrophobicContact CB-CD2 4.08Å; R28-L429 HydrophobicContact CG-CD2 4.01Å; R28-E430 IonicContact CZ-OE1 2.73Å; R28-E430 VanDerWaalsContact CZ-OE1 3.32Å; R28-E430 IonicContact CZ-OE2 2.77Å; R28-E430 IonicContact NE-OE1 3.26Å; R28-E430 PolarHBondContact NE-OE1 3.42Å; R28-E430 IonicContact NE-OE2 3.86Å; R28-E430 IonicContact NH2-OE1 3.81Å; R28-E430 PolarHBondContact NH2-OE1 3.31Å; R28-E430 VanDerWaalsContact NH2-OE1 3.11Å; R28-E430 IonicContact NH2-OE2 3.11Å; R28-E430 PolarHBondContact NH2-OE2 3.41Å
29	A	96.5	Very high	91.5	Very high	2 Å²	2	68.3 Å²	68.3	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-45.2	175	0	0	0	0	0	111.7	I25 V26 E27 Q31 I32 E33 V47 L429 C435	I25-A29 WeakPolarHBondContact O-CB 3.38Å; I25-A29 PolarHBondContact O-N 3.04Å; V26-A29 WeakPolarHBondContact O-CB 3.49Å; V26-A29 PolarHBondContact O-N 2.86Å; E27-A29 PolarHBondContact O-N 3.11Å; A29-Q31 VanDerWaalsContact C-N 3.31Å; A29-Q31 PolarHBondContact O-N 3.39Å; A29-I32 PolarHBondContact O-N 2.74Å; A29-E33 WeakPolarHBondContact O-CG 3.3Å; A29-E33 PolarHBondContact O-N 3.24Å; A29-V47 HydrophobicContact CB-CG1 3.98Å; A29-L429 HydrophobicContact CB-CD1 4.03Å; A29-L429 HydrophobicContact CB-CD2 3.98Å; A29-C435 HydrophobicContact CB-CB 4.12Å
30	L	95.9	Very high	92.2	Very high	91 Å²	91	68.6 Å²	68.6	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-63.6	-36.3	175.6	-67.5	172.8	0	0	0	112.4	V26 E27 R28 E33 K34	V26-L30 WeakPolarHBondContact O-CG 3.37Å; V26-L30 PolarHBondContact O-N 3.44Å; E27-L30 PolarHBondContact O-N 3.3Å; R28-L30 PolarHBondContact O-N 2.99Å; L30-E33 WeakPolarHBondContact CD2-OE2 3.48Å; L30-E33 PolarHBondContact O-N 3.03Å; L30-K34 PolarHBondContact O-N 3.31Å; L30-K34 VanDerWaalsContact O-N 3.13Å
31	Q	97.4	Very high	93.1	Very high	104 Å²	104	77 Å²	77	49%	0.486	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-46.9	173.8	-170.4	-173.2	3.9	0	0	111.1	E27 R28 A29 E33 K34 E35	E27-Q31 PolarHBondContact O-N 3.04Å; R28-Q31 WeakPolarHBondContact O-CB 3.37Å; R28-Q31 PolarHBondContact O-N 3.4Å; A29-Q31 VanDerWaalsContact C-N 3.31Å; A29-Q31 PolarHBondContact O-N 3.39Å; Q31-E33 VanDerWaalsContact C-N 3.32Å; Q31-E33 PolarHBondContact O-N 3.18Å; Q31-K34 CarbonylContact O-C 3.41Å; Q31-K34 WeakPolarHBondContact O-CA 3.48Å; Q31-K34 WeakPolarHBondContact O-CB 3.49Å; Q31-K34 PolarHBondContact O-N 3.43Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.34Å; Q31-E35 PolarHBondContact NE2-OE1 3.13Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.14Å
32	I	97.7	Very high	94	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.4	-39.8	177	-67.1	168	0	0	0	110.9	R28 A29 K34 E35 L36 F44 V47 L429	R28-I32 HydrophobicContact CG-CD1 4.1Å; R28-I32 WeakPolarHBondContact O-CG1 3.1Å; R28-I32 PolarHBondContact O-N 2.76Å; A29-I32 PolarHBondContact O-N 2.74Å; I32-K34 PolarHBondContact O-N 3.29Å; I32-E35 WeakPolarHBondContact O-CB 3.48Å; I32-E35 PolarHBondContact O-N 2.98Å; I32-L36 HydrophobicContact CG2-CD1 4.11Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.43Å; I32-L36 WeakPolarHBondContact O-CG 3.38Å; I32-L36 PolarHBondContact O-N 2.98Å; I32-F44 HydrophobicContact CG2-CE2 3.65Å; I32-F44 HydrophobicContact CG2-CZ 3.88Å; I32-V47 HydrophobicContact CB-CG2 3.98Å; I32-V47 HydrophobicContact CG2-CG2 3.55Å; I32-L429 HydrophobicContact CD1-CD1 4.23Å; I32-L429 HydrophobicContact CD1-CD2 4.26Å; I32-L429 HydrophobicContact CD1-CG 3.88Å
33	E	96.5	Very high	94.8	Very high	46 Å²	46	74.4 Å²	74.4	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-32.4	173	-73	-174.9	138.2	0	0	112.6	A29 L30 Q31 R37 V47 K49	A29-E33 WeakPolarHBondContact O-CG 3.3Å; A29-E33 PolarHBondContact O-N 3.24Å; L30-E33 WeakPolarHBondContact CD2-OE2 3.48Å; L30-E33 PolarHBondContact O-N 3.03Å; Q31-E33 VanDerWaalsContact C-N 3.32Å; Q31-E33 PolarHBondContact O-N 3.18Å; E33-R37 WeakPolarHBondContact O-CG 3.35Å; E33-R37 PolarHBondContact O-N 2.91Å; E33-R37 PolarHBondContact O-NE 2.59Å; E33-V47 HydrophobicContact CG-CB 3.73Å; E33-V47 HydrophobicContact CG-CG2 3.78Å; E33-K49 VanDerWaalsContact CD-CE 3.45Å; E33-K49 VanDerWaalsContact CD-NZ 3.25Å; E33-K49 WeakPolarHBondContact OE1-CE 3.43Å; E33-K49 IonicContact OE1-NZ 3.91Å; E33-K49 PolarHBondContact OE1-NZ 3.45Å; E33-K49 WeakPolarHBondContact OE2-CE 3.3Å; E33-K49 IonicContact OE2-NZ 3.76Å; E33-K49 PolarHBondContact OE2-NZ 3.02Å
34	K	97.3	Very high	95.4	Very high	128 Å²	128	74.1 Å²	74.1	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-74.7	-43.2	174.3	-171.2	-179.2	177.8	-177.1	0	111.5	L30 Q31 I32 R37 N38	L30-K34 PolarHBondContact O-N 3.31Å; L30-K34 VanDerWaalsContact O-N 3.13Å; Q31-K34 CarbonylContact O-C 3.41Å; Q31-K34 WeakPolarHBondContact O-CA 3.48Å; Q31-K34 WeakPolarHBondContact O-CB 3.49Å; Q31-K34 PolarHBondContact O-N 3.43Å; I32-K34 PolarHBondContact O-N 3.29Å; K34-R37 PolarHBondContact O-N 3.11Å; K34-N38 WeakPolarHBondContact O-CB 3.48Å; K34-N38 PolarHBondContact O-N 3.49Å; K34-N38 PolarHBondContact O-ND2 2.84Å
35	E	98	Very high	95.6	Very high	28 Å²	28	75.2 Å²	75.2	13%	0.131	38%	0.384	C	S	.	.	H	α-helix	trans	-55.8	-50.9	174.3	-71.2	171.1	-166.5	0	0	110.8	R28 Q31 I32 R37 N38 G39 D40 K42	R28-E35 IonicContact CZ-OE1 3.28Å; R28-E35 IonicContact NH1-OE1 3.75Å; R28-E35 PolarHBondContact NH1-OE1 2.99Å; R28-E35 IonicContact NH1-OE2 2.68Å; R28-E35 IonicContact NH2-OE1 3.32Å; R28-E35 IonicContact NH2-OE2 2.89Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.34Å; Q31-E35 PolarHBondContact NE2-OE1 3.13Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.14Å; I32-E35 WeakPolarHBondContact O-CB 3.48Å; I32-E35 PolarHBondContact O-N 2.98Å; E35-R37 PolarHBondContact O-N 3.39Å; E35-N38 CarbonylContact O-C 3.57Å; E35-N38 WeakPolarHBondContact O-CA 3.44Å; E35-N38 WeakPolarHBondContact O-CB 3.37Å; E35-N38 PolarHBondContact O-N 2.83Å; E35-G39 PolarHBondContact O-N 3.12Å; E35-D40 HydrophobicContact CB-CB 3.96Å; E35-D40 VanDerWaalsContact CB-OD2 3.27Å; E35-D40 WeakPolarHBondContact CB-OD2 3.32Å; E35-D40 WeakPolarHBondContact CG-OD2 3.49Å; E35-D40 WeakPolarHBondContact O-CB 3.38Å; E35-D40 PolarHBondContact O-N 3.47Å; E35-K42 WeakPolarHBondContact OE2-CE 3.27Å; E35-K42 IonicContact OE2-NZ 3.7Å; E35-K42 PolarHBondContact OE2-NZ 3.09Å
36	L	97.4	Very high	95.7	Very high	36 Å²	36	78.7 Å²	78.7	19%	0.188	40%	0.4	C	S	.	.	H	α-helix	trans	-59.7	-42.1	177.6	-72.2	172.6	0	0	0	112.5	I32 N38 G39 K42 F44 V47	I32-L36 HydrophobicContact CG2-CD1 4.11Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.43Å; I32-L36 WeakPolarHBondContact O-CG 3.38Å; I32-L36 PolarHBondContact O-N 2.98Å; L36-N38 VanDerWaalsContact C-N 3.26Å; L36-N38 PolarHBondContact O-N 3.39Å; L36-G39 PolarHBondContact O-N 3.24Å; L36-G39 VanDerWaalsContact O-N 3.12Å; L36-K42 HydrophobicContact CD2-CB 4.01Å; L36-K42 HydrophobicContact CD2-CG 3.79Å; L36-K42 HydrophobicContact CG-CG 4.46Å; L36-F44 HydrophobicContact CD1-CD2 4.22Å; L36-F44 HydrophobicContact CD1-CE2 4.06Å; L36-V47 HydrophobicContact CD1-CG2 4.39Å
37	R	96.4	Very high	95.9	Very high	195 Å²	195	77.9 Å²	77.9	74%	0.736	40%	0.395	S	S	*	.	H	α-helix	trans	-65.4	-29.3	175.2	-78.8	-174.9	-66.9	167.9	-1.9	113.1	E33 K34 E35 G39	E33-R37 WeakPolarHBondContact O-CG 3.35Å; E33-R37 PolarHBondContact O-N 2.91Å; E33-R37 PolarHBondContact O-NE 2.59Å; K34-R37 PolarHBondContact O-N 3.11Å; E35-R37 PolarHBondContact O-N 3.39Å; R37-G39 VanDerWaalsContact C-N 3.25Å
38	N	96.8	Very high	96	Very high	117 Å²	117	72.2 Å²	72.2	63%	0.626	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.1	175.8	-68.1	-14.6	0	0	0	113	K34 E35 L36	K34-N38 WeakPolarHBondContact O-CB 3.48Å; K34-N38 PolarHBondContact O-N 3.49Å; K34-N38 PolarHBondContact O-ND2 2.84Å; E35-N38 CarbonylContact O-C 3.57Å; E35-N38 WeakPolarHBondContact O-CA 3.44Å; E35-N38 WeakPolarHBondContact O-CB 3.37Å; E35-N38 PolarHBondContact O-N 2.83Å; L36-N38 VanDerWaalsContact C-N 3.26Å; L36-N38 PolarHBondContact O-N 3.39Å
39	G	95.2	Very high	95.8	Very high	56 Å²	56	73.4 Å²	73.4	58%	0.577	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	9.2	176.8	0	0	0	0	0	115	E35 L36 R37 K41	E35-G39 PolarHBondContact O-N 3.12Å; L36-G39 PolarHBondContact O-N 3.24Å; L36-G39 VanDerWaalsContact O-N 3.12Å; R37-G39 VanDerWaalsContact C-N 3.25Å; G39-K41 PolarHBondContact O-N 3.45Å
40	D	95.6	Very high	95.8	Very high	83 Å²	83	73.3 Å²	73.3	44%	0.444	38%	0.375	S	S	.	.			trans	-63.1	133	175.2	-68.2	-5.8	0	0	0	110.2	E35	E35-D40 HydrophobicContact CB-CB 3.96Å; E35-D40 VanDerWaalsContact CB-OD2 3.27Å; E35-D40 WeakPolarHBondContact CB-OD2 3.32Å; E35-D40 WeakPolarHBondContact CG-OD2 3.49Å; E35-D40 WeakPolarHBondContact O-CB 3.38Å; E35-D40 PolarHBondContact O-N 3.47Å
41	K	93.6	Very high	95.6	Very high	206 Å²	206	69.1 Å²	69.1	90%	0.896	35%	0.353	S	S	*	.			trans	-84.4	121.6	-179.1	-64.8	-175.5	-179.4	-179.8	0	110.5	G39	G39-K41 PolarHBondContact O-N 3.45Å
42	K	94.3	Very high	95.1	Very high	68 Å²	68	66.1 Å²	66.1	30%	0.296	34%	0.34	S	S	.	.			trans	-120.6	170.3	171.1	-58.2	-77.5	-178.5	162	0	109.6	E35 L36 F44	E35-K42 WeakPolarHBondContact OE2-CE 3.27Å; E35-K42 IonicContact OE2-NZ 3.7Å; E35-K42 PolarHBondContact OE2-NZ 3.09Å; L36-K42 HydrophobicContact CD2-CB 4.01Å; L36-K42 HydrophobicContact CD2-CG 3.79Å; L36-K42 HydrophobicContact CG-CG 4.46Å; K42-F44 HydrophobicContact CB-CD1 4.36Å; K42-F44 HydrophobicContact CB-CD2 4.39Å; K42-F44 HydrophobicContact CB-CE1 4.15Å; K42-F44 HydrophobicContact CB-CE2 4.2Å; K42-F44 HydrophobicContact CB-CG 4.48Å; K42-F44 HydrophobicContact CB-CZ 4.08Å; K42-F44 HydrophobicContact CD-CZ 4.49Å; K42-F44 HydrophobicContact CG-CE2 4.44Å; K42-F44 HydrophobicContact CG-CZ 4.29Å; K42-F44 PolarHBondContact O-N 3.34Å
43	S	92.5	Very high	94.8	Very high	97 Å²	97	66.8 Å²	66.8	68%	0.678	35%	0.347	S	S	*	.	S	Bend	trans	-68.7	-8	173.7	42.7	0	0	0	0	114	E431	S43-E431 PolarHBondContact OG-O 3.45Å
44	F	96.1	Very high	94.6	Very high	11 Å²	11	67.6 Å²	67.6	5%	0.048	35%	0.353	C	S	.	.	S	Bend	trans	-135.9	158.5	-179.8	50.9	-91.7	0	0	0	109.7	I32 L36 K42 E46 V47 E430 G433	I32-F44 HydrophobicContact CG2-CE2 3.65Å; I32-F44 HydrophobicContact CG2-CZ 3.88Å; L36-F44 HydrophobicContact CD1-CD2 4.22Å; L36-F44 HydrophobicContact CD1-CE2 4.06Å; K42-F44 HydrophobicContact CB-CD1 4.36Å; K42-F44 HydrophobicContact CB-CD2 4.39Å; K42-F44 HydrophobicContact CB-CE1 4.15Å; K42-F44 HydrophobicContact CB-CE2 4.2Å; K42-F44 HydrophobicContact CB-CG 4.48Å; K42-F44 HydrophobicContact CB-CZ 4.08Å; K42-F44 HydrophobicContact CD-CZ 4.49Å; K42-F44 HydrophobicContact CG-CE2 4.44Å; K42-F44 HydrophobicContact CG-CZ 4.29Å; K42-F44 PolarHBondContact O-N 3.34Å; F44-E46 VanDerWaalsContact CD2-O 3.23Å; F44-E46 WeakPolarHBondContact CD2-O 3.45Å; F44-V47 HydrophobicContact CE2-CG2 4.32Å; F44-E430 WeakPolarHBondContact CE1-O 3.43Å; F44-G433 VanDerWaalsContact CE2-CA 3.42Å; F44-G433 VanDerWaalsContact CZ-CA 3.46Å
45	S	94.9	Very high	94.4	Very high	102 Å²	102	61.5 Å²	61.5	71%	0.713	33%	0.326	S	S	*	.	S	Bend	trans	-97.5	-13.5	-175.7	57.3	0	0	0	0	114.4
46	E	95.4	Very high	94.3	Very high	80 Å²	80	62.9 Å²	62.9	37%	0.374	33%	0.332	S	S	.	.	S	Bend	trans	-151.5	158.8	-178	70.6	-176.6	144.7	0	0	111	F44 V48 K461	F44-E46 VanDerWaalsContact CD2-O 3.23Å; F44-E46 WeakPolarHBondContact CD2-O 3.45Å; E46-V48 HydrophobicContact CG-CG2 4.15Å; E46-K461 IonicContact OE1-NZ 3.75Å; E46-K461 PolarHBondContact OE1-NZ 2.71Å; E46-K461 IonicContact OE2-NZ 3Å
47	V	96.2	Very high	94	Very high	10 Å²	10	64.4 Å²	64.4	6%	0.061	35%	0.35	C	S	.	.			trans	-92	120.2	166.9	177.7	0	0	0	0	109.1	A29 I32 E33 L36 F44 L429 G433 C435	A29-V47 HydrophobicContact CB-CG1 3.98Å; I32-V47 HydrophobicContact CB-CG2 3.98Å; I32-V47 HydrophobicContact CG2-CG2 3.55Å; E33-V47 HydrophobicContact CG-CB 3.73Å; E33-V47 HydrophobicContact CG-CG2 3.78Å; L36-V47 HydrophobicContact CD1-CG2 4.39Å; F44-V47 HydrophobicContact CE2-CG2 4.32Å; V47-L429 HydrophobicContact CG1-CD1 4.03Å; V47-G433 CarbonylContact C-O 3.58Å; V47-G433 WeakPolarHBondContact CA-O 3.36Å; V47-C435 HydrophobicContact CG1-CB 4.15Å
48	V	95.4	Very high	93.8	Very high	10 Å²	10	56.4 Å²	56.4	6%	0.061	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	114.4	174.8	-168.9	0	0	0	0	109.6	E46 C50 G433 C435 K461 Y464 V465	E46-V48 HydrophobicContact CG-CG2 4.15Å; V48-C50 PolarHBondContact O-N 3.5Å; V48-G433 PolarHBondContact N-O 3.41Å; V48-C435 PolarHBondContact O-N 3.23Å; V48-K461 HydrophobicContact CG1-CD 4.18Å; V48-K461 HydrophobicContact CG1-CG 4.07Å; V48-K461 HydrophobicContact CG2-CD 4.17Å; V48-Y464 HydrophobicContact CG2-CE1 4.24Å; V48-V465 HydrophobicContact CB-CG2 4.16Å; V48-V465 HydrophobicContact CG1-CG2 3.6Å; V48-V465 HydrophobicContact CG2-CG2 4.38Å
49	K	93.4	Very high	93.5	Very high	71 Å²	71	53.8 Å²	53.8	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	83.3	-178	-66.6	-179.3	178.1	161.3	0	111.8	E33 N51 I52	E33-K49 VanDerWaalsContact CD-CE 3.45Å; E33-K49 VanDerWaalsContact CD-NZ 3.25Å; E33-K49 WeakPolarHBondContact OE1-CE 3.43Å; E33-K49 IonicContact OE1-NZ 3.91Å; E33-K49 PolarHBondContact OE1-NZ 3.45Å; E33-K49 WeakPolarHBondContact OE2-CE 3.3Å; E33-K49 IonicContact OE2-NZ 3.76Å; E33-K49 PolarHBondContact OE2-NZ 3.02Å; K49-N51 VanDerWaalsContact C-N 3.3Å; K49-I52 HydrophobicContact CB-CD1 4.01Å; K49-I52 HydrophobicContact CB-CG1 4.16Å; K49-I52 HydrophobicContact CD-CD1 4.18Å
50	C	95.4	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.301	C	S	.	.			trans	-87.3	2.9	173.6	-68.1	0	0	0	0	113.4	V48 I434 C435 V436 T454	V48-C50 PolarHBondContact O-N 3.5Å; C50-I434 HydrophobicContact CB-CG2 4.42Å; C50-C435 CarbonylContact C-O 3.43Å; C50-C435 VanDerWaalsContact CA-O 3.23Å; C50-C435 WeakPolarHBondContact CA-O 3.48Å; C50-C435 VanDerWaalsContact CB-O 3.29Å; C50-C435 WeakPolarHBondContact CB-O 3.03Å; C50-C435 PolarHBondContact N-O 2.98Å; C50-V436 HydrophobicContact CB-CG1 4.02Å; C50-T454 WeakPolarHBondContact O-CG2 3.33Å; C50-T454 PolarHBondContact O-N 3.24Å
51	N	92.2	Very high	93.5	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	32%	0.316	C	S	.	.	S	Bend	trans	-94	-19.7	-175.5	63.5	-51.9	0	0	0	113.9	V26 K49 C435 V437 R452	V26-N51 VanDerWaalsContact CG2-ND2 3.28Å; V26-N51 WeakPolarHBondContact CG2-ND2 3.38Å; K49-N51 VanDerWaalsContact C-N 3.3Å; N51-C435 WeakPolarHBondContact CB-O 3.3Å; N51-C435 VanDerWaalsContact CG-SG 3.5Å; N51-C435 PolarHBondContact N-O 2.9Å; N51-V437 HydrophobicContact CB-CG2 3.52Å; N51-R452 PolarHBondContact O-NH2 3.22Å
52	I	87.1	Confident	93.6	Very high	42 Å²	42	51.7 Å²	51.7	22%	0.215	30%	0.295	C	S	.	.			trans	-102.3	152.3	-170.4	62.4	179.2	0	0	0	112.9	K49 D54 A57 T454	K49-I52 HydrophobicContact CB-CD1 4.01Å; K49-I52 HydrophobicContact CB-CG1 4.16Å; K49-I52 HydrophobicContact CD-CD1 4.18Å; I52-D54 HydrophobicContact CD1-CB 4.11Å; I52-D54 HydrophobicContact CG1-CB 4.42Å; I52-A57 HydrophobicContact CD1-CB 4.37Å; I52-T454 WeakPolarHBondContact O-CG2 3.36Å
53	G	90.7	Very high	93.8	Very high	14 Å²	14	48.5 Å²	48.5	14%	0.144	28%	0.281	C	S	.	.			trans	-104.5	45.2	173	0	0	0	0	0	113	K299 C305 Y398	G53-K299 PolarHBondContact O-NZ 2.81Å; G53-C305 PolarHBondContact O-SG 3.2Å; G53-C305 VanDerWaalsContact O-SG 3.37Å; G53-Y398 WeakPolarHBondContact CA-OH 3.17Å
54	D	92.6	Very high	94.1	Very high	63 Å²	63	45.2 Å²	45.2	34%	0.337	26%	0.258	S	S	.	.			trans	-109.8	95.7	-177.7	-173.1	-17.4	0	0	0	109.6	I52 H56 A57 T58	I52-D54 HydrophobicContact CD1-CB 4.11Å; I52-D54 HydrophobicContact CG1-CB 4.42Å; D54-H56 PolarHBondContact O-N 3.13Å; D54-A57 HydrophobicContact CB-CB 3.89Å; D54-A57 VanDerWaalsContact CG-CB 3.46Å; D54-A57 PolarHBondContact O-N 3.02Å; D54-A57 PolarHBondContact OD1-N 3.44Å; D54-T58 PolarHBondContact O-N 2.88Å; D54-T58 PolarHBondContact O-OG1 3.2Å
55	C	94.3	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-41.1	-168.2	-54.3	0	0	0	0	112.9	T58 G59 Q60 M397 L456	C55-T58 PolarHBondContact O-N 3.47Å; C55-T58 PolarHBondContact O-OG1 3.47Å; C55-G59 PolarHBondContact O-N 3.28Å; C55-Q60 HydrophobicContact CB-CB 3.97Å; C55-Q60 HydrophobicContact CB-CG 4.4Å; C55-Q60 WeakPolarHBondContact O-CB 3.3Å; C55-Q60 PolarHBondContact O-N 3.38Å; C55-M397 VanDerWaalsContact SG-SD 3.69Å; C55-L456 HydrophobicContact CB-CD2 4.24Å
56	H	94.7	Very high	94.3	Very high	56 Å²	56	40.1 Å²	40.1	26%	0.259	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-36.2	-178.6	-67.1	-47	0	0	0	111.9	D54 T58 G59 Q60 R67 G303 E304	D54-H56 PolarHBondContact O-N 3.13Å; H56-T58 PolarHBondContact O-N 3.46Å; H56-T58 VanDerWaalsContact O-N 3.16Å; H56-G59 PolarHBondContact O-N 2.91Å; H56-Q60 PolarHBondContact ND1-O 3.32Å; H56-R67 PolarHBondContact NE2-NH2 3.33Å; H56-G303 PolarHBondContact CD2-O 3.31Å; H56-G303 VanDerWaalsContact CD2-O 3.24Å; H56-G303 PolarHBondContact NE2-O 2.95Å; H56-E304 IonicContact NE2-OE1 3.29Å; H56-E304 IonicContact NE2-OE2 3.09Å
57	A	92.1	Very high	94.5	Very high	69 Å²	69	39.1 Å²	39.1	57%	0.57	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23	174	0	0	0	0	0	112.9	I52 D54	I52-A57 HydrophobicContact CD1-CB 4.37Å; D54-A57 HydrophobicContact CB-CB 3.89Å; D54-A57 VanDerWaalsContact CG-CB 3.46Å; D54-A57 PolarHBondContact O-N 3.02Å; D54-A57 PolarHBondContact OD1-N 3.44Å
58	T	91.6	Very high	94.6	Very high	26 Å²	26	40.5 Å²	40.5	16%	0.16	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.9	176	55.3	0	0	0	0	114.3	D54 C55 H56 L456	D54-T58 PolarHBondContact O-N 2.88Å; D54-T58 PolarHBondContact O-OG1 3.2Å; C55-T58 PolarHBondContact O-N 3.47Å; C55-T58 PolarHBondContact O-OG1 3.47Å; H56-T58 PolarHBondContact O-N 3.46Å; H56-T58 VanDerWaalsContact O-N 3.16Å; T58-L456 HydrophobicContact CG2-CB 3.93Å; T58-L456 WeakPolarHBondContact OG1-CB 3.3Å
59	G	91.1	Very high	94.7	Very high	62 Å²	62	40 Å²	40	64%	0.639	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	11.4	173.7	0	0	0	0	0	116.1	C55 H56 K61	C55-G59 PolarHBondContact O-N 3.28Å; H56-G59 PolarHBondContact O-N 2.91Å; G59-K61 PolarHBondContact O-N 3.39Å
60	Q	94.3	Very high	95	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.093	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-63.3	127.2	168.4	-174.8	172.5	-57.8	0	0	109.2	C55 H56 G300 Y301 V367	C55-Q60 HydrophobicContact CB-CB 3.97Å; C55-Q60 HydrophobicContact CB-CG 4.4Å; C55-Q60 WeakPolarHBondContact O-CB 3.3Å; C55-Q60 PolarHBondContact O-N 3.38Å; H56-Q60 PolarHBondContact ND1-O 3.32Å; Q60-G300 PolarHBondContact NE2-O 3.46Å; Q60-Y301 PolarHBondContact NE2-O 3.1Å; Q60-V367 HydrophobicContact CG-CG1 3.99Å; Q60-V367 HydrophobicContact CG-CG2 4.18Å
61	K	94.5	Very high	95.1	Very high	176 Å²	176	38.2 Å²	38.2	77%	0.765	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-67	148.7	174.5	-65.6	-177.5	180	178.2	0	110.1	G59	G59-K61 PolarHBondContact O-N 3.39Å
62	F	96.5	Very high	95.4	Very high	105 Å²	105	38.1 Å²	38.1	46%	0.461	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-68.7	159.5	172.5	56.8	-106.2	0	0	0	111.1	R67	F62-R67 HydrophobicContact CB-CG 3.74Å; F62-R67 HydrophobicContact CD1-CG 4.3Å; F62-R67 HydrophobicContact CD2-CB 4.21Å; F62-R67 HydrophobicContact CD2-CG 3.42Å; F62-R67 VanDerWaalsContact CD2-CG 3.42Å; F62-R67 HydrophobicContact CE2-CB 4.5Å; F62-R67 HydrophobicContact CE2-CG 4.06Å; F62-R67 HydrophobicContact CG-CG 3.56Å
63	I	98.2	Very high	96	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-85.6	122.3	167.9	-55.4	-56.6	0	0	0	108.4	F65 V66 R67 Y301 F360 E363	I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 HydrophobicContact CG2-CB 4.42Å; I63-F65 PolarHBondContact O-N 2.86Å; I63-V66 HydrophobicContact CB-CB 4.46Å; I63-V66 HydrophobicContact CB-CG2 4.08Å; I63-V66 HydrophobicContact CG2-CG2 4.19Å; I63-V66 PolarHBondContact O-N 2.96Å; I63-R67 PolarHBondContact O-N 3.44Å; I63-R67 VanDerWaalsContact O-N 3.14Å; I63-Y301 HydrophobicContact CD1-CD2 3.9Å; I63-Y301 HydrophobicContact CD1-CE2 4.5Å; I63-Y301 HydrophobicContact CG1-CD2 3.91Å; I63-Y301 HydrophobicContact CG1-CE2 4.2Å; I63-F360 HydrophobicContact CG2-CD2 3.6Å; I63-F360 HydrophobicContact CG2-CE2 3.9Å; I63-E363 HydrophobicContact CD1-CB 3.8Å
64	T	98.4	Very high	96.3	Very high	29 Å²	29	39.4 Å²	39.4	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-42.3	-172.3	-69.2	0	0	0	0	111.4	V66 R67 Q68 L359 E363	T64-V66 PolarHBondContact O-N 3.49Å; T64-R67 PolarHBondContact O-N 2.93Å; T64-Q68 HydrophobicContact CG2-CG 4.09Å; T64-Q68 WeakPolarHBondContact O-CB 3.4Å; T64-Q68 WeakPolarHBondContact O-CG 3.3Å; T64-Q68 PolarHBondContact O-N 3.29Å; T64-L359 HydrophobicContact CG2-CD2 3.86Å; T64-E363 VanDerWaalsContact CB-OE1 3.28Å; T64-E363 WeakPolarHBondContact CB-OE1 3.26Å; T64-E363 WeakPolarHBondContact CB-OE2 3.5Å; T64-E363 PolarHBondContact N-OE2 3.44Å; T64-E363 PolarHBondContact OG1-OE1 3.47Å
65	F	98.6	Very high	96.6	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.022	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-47.2	178	-176.4	-104.7	0	0	0	112.4	I63 R67 Q68 V69 T88 K91 A345 P350 F360	I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 HydrophobicContact CG2-CB 4.42Å; I63-F65 PolarHBondContact O-N 2.86Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.42Å; F65-Q68 PolarHBondContact O-N 3.26Å; F65-V69 HydrophobicContact CD1-CG2 4.39Å; F65-V69 HydrophobicContact CD2-CG2 4.49Å; F65-V69 HydrophobicContact CE1-CG2 4.09Å; F65-V69 HydrophobicContact CE2-CG2 4.21Å; F65-V69 HydrophobicContact CZ-CG2 4Å; F65-V69 VanDerWaalsContact O-CG2 3.28Å; F65-V69 WeakPolarHBondContact O-CG2 3.27Å; F65-V69 PolarHBondContact O-N 2.78Å; F65-T88 HydrophobicContact CD2-CG2 3.56Å; F65-T88 HydrophobicContact CE2-CG2 3.68Å; F65-K91 HydrophobicContact CE1-CD 3.98Å; F65-K91 HydrophobicContact CZ-CD 3.81Å; F65-A345 HydrophobicContact CD1-CB 4.15Å; F65-A345 HydrophobicContact CE1-CB 4.02Å; F65-A345 WeakPolarHBondContact CE1-O 3.4Å; F65-P350 HydrophobicContact CD1-CG 4.49Å; F65-P350 HydrophobicContact CD2-CB 4.4Å; F65-P350 HydrophobicContact CD2-CG 4.03Å; F65-P350 HydrophobicContact CE2-CB 4.14Å; F65-P350 HydrophobicContact CE2-CG 4.18Å; F65-P350 HydrophobicContact CG-CG 4.18Å; F65-P350 HydrophobicContact CZ-CB 4.48Å; F65-P350 HydrophobicContact CZ-CG 4.47Å; F65-F360 HydrophobicContact CB-CD2 3.95Å; F65-F360 HydrophobicContact CG-CD2 4.47Å
66	V	98.2	Very high	96.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-45.3	178.1	-179.7	0	0	0	0	110	I63 T64 T70 E304 A342 A345 I346	I63-V66 HydrophobicContact CB-CB 4.46Å; I63-V66 HydrophobicContact CB-CG2 4.08Å; I63-V66 HydrophobicContact CG2-CG2 4.19Å; I63-V66 PolarHBondContact O-N 2.96Å; T64-V66 PolarHBondContact O-N 3.49Å; V66-T70 HydrophobicContact CG1-CG2 4.45Å; V66-T70 WeakPolarHBondContact O-CB 3.33Å; V66-T70 VanDerWaalsContact O-CG2 3.28Å; V66-T70 WeakPolarHBondContact O-CG2 3.44Å; V66-T70 PolarHBondContact O-N 3.18Å; V66-T70 PolarHBondContact O-OG1 3.26Å; V66-E304 HydrophobicContact CG1-CG 4.31Å; V66-A342 HydrophobicContact CG1-CB 4.28Å; V66-A345 HydrophobicContact CG2-CB 4.18Å; V66-I346 HydrophobicContact CG2-CG1 4.12Å
67	R	98	Very high	96.9	Very high	58 Å²	58	48.3 Å²	48.3	22%	0.219	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-44.5	177.4	-70	-67.9	171.9	-84.6	-1.4	112.6	H56 F62 I63 T64 F65 T70 A71 E304	H56-R67 PolarHBondContact NE2-NH2 3.33Å; F62-R67 HydrophobicContact CB-CG 3.74Å; F62-R67 HydrophobicContact CD1-CG 4.3Å; F62-R67 HydrophobicContact CD2-CB 4.21Å; F62-R67 HydrophobicContact CD2-CG 3.42Å; F62-R67 VanDerWaalsContact CD2-CG 3.42Å; F62-R67 HydrophobicContact CE2-CB 4.5Å; F62-R67 HydrophobicContact CE2-CG 4.06Å; F62-R67 HydrophobicContact CG-CG 3.56Å; I63-R67 PolarHBondContact O-N 3.44Å; I63-R67 VanDerWaalsContact O-N 3.14Å; T64-R67 PolarHBondContact O-N 2.93Å; F65-R67 VanDerWaalsContact C-N 3.34Å; F65-R67 PolarHBondContact O-N 3.42Å; R67-T70 WeakPolarHBondContact CA-OG1 3.39Å; R67-T70 PolarHBondContact O-N 3.29Å; R67-T70 PolarHBondContact O-OG1 3.24Å; R67-A71 VanDerWaalsContact O-CB 3.28Å; R67-A71 WeakPolarHBondContact O-CB 3.48Å; R67-A71 PolarHBondContact O-N 2.9Å; R67-E304 IonicContact CZ-OE1 2.77Å; R67-E304 VanDerWaalsContact CZ-OE1 3.26Å; R67-E304 IonicContact CZ-OE2 2.68Å; R67-E304 VanDerWaalsContact CZ-OE2 3.32Å; R67-E304 IonicContact NH1-OE1 3.38Å; R67-E304 PolarHBondContact NH1-OE1 3.41Å; R67-E304 IonicContact NH1-OE2 3.83Å; R67-E304 PolarHBondContact NH1-OE2 3.27Å; R67-E304 VanDerWaalsContact NH2-CD 3.33Å; R67-E304 IonicContact NH2-OE1 3.74Å; R67-E304 PolarHBondContact NH2-OE1 3.21Å; R67-E304 VanDerWaalsContact NH2-OE1 3.09Å; R67-E304 IonicContact NH2-OE2 3.04Å; R67-E304 PolarHBondContact NH2-OE2 3.02Å
68	Q	98.6	Very high	97.1	Very high	40 Å²	40	46.8 Å²	46.8	19%	0.187	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-47	179.4	-75.3	173.5	-35.7	0	0	111.7	T64 F65 T70 A71 L72 F84 T88	T64-Q68 HydrophobicContact CG2-CG 4.09Å; T64-Q68 WeakPolarHBondContact O-CB 3.4Å; T64-Q68 WeakPolarHBondContact O-CG 3.3Å; T64-Q68 PolarHBondContact O-N 3.29Å; F65-Q68 PolarHBondContact O-N 3.26Å; Q68-T70 PolarHBondContact O-N 2.96Å; Q68-A71 PolarHBondContact O-N 2.92Å; Q68-L72 WeakPolarHBondContact O-CB 3.42Å; Q68-L72 WeakPolarHBondContact O-CD1 3.36Å; Q68-L72 VanDerWaalsContact O-CG 3.27Å; Q68-L72 WeakPolarHBondContact O-CG 3.37Å; Q68-L72 PolarHBondContact O-N 2.7Å; Q68-F84 HydrophobicContact CB-CD1 4.07Å; Q68-F84 HydrophobicContact CB-CE1 4.06Å; Q68-F84 HydrophobicContact CG-CD1 4.07Å; Q68-F84 HydrophobicContact CG-CE1 3.95Å; Q68-T88 HydrophobicContact CB-CG2 3.86Å
69	V	98.7	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-46.3	177.2	174.5	0	0	0	0	111	F65 L72 A73 T88 K91 L95 V341 A345	F65-V69 HydrophobicContact CD1-CG2 4.39Å; F65-V69 HydrophobicContact CD2-CG2 4.49Å; F65-V69 HydrophobicContact CE1-CG2 4.09Å; F65-V69 HydrophobicContact CE2-CG2 4.21Å; F65-V69 HydrophobicContact CZ-CG2 4Å; F65-V69 VanDerWaalsContact O-CG2 3.28Å; F65-V69 WeakPolarHBondContact O-CG2 3.27Å; F65-V69 PolarHBondContact O-N 2.78Å; V69-L72 PolarHBondContact O-N 2.98Å; V69-A73 WeakPolarHBondContact O-CB 3.46Å; V69-A73 PolarHBondContact O-N 3.44Å; V69-T88 HydrophobicContact CG2-CG2 4.35Å; V69-K91 HydrophobicContact CG1-CD 3.94Å; V69-K91 HydrophobicContact CG1-CG 3.98Å; V69-K91 HydrophobicContact CG2-CB 4.46Å; V69-K91 HydrophobicContact CG2-CD 3.78Å; V69-K91 HydrophobicContact CG2-CG 4.26Å; V69-L95 HydrophobicContact CG1-CD1 3.98Å; V69-V341 HydrophobicContact CG1-CG1 3.94Å; V69-A345 HydrophobicContact CB-CB 4.33Å; V69-A345 HydrophobicContact CG1-CB 4.32Å; V69-A345 HydrophobicContact CG2-CB 4.43Å
70	T	98.3	Very high	97.8	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-40.6	177.8	56.6	0	0	0	0	112.5	V66 R67 Q68 A73 T74 Y307 M338 V341 A342	V66-T70 HydrophobicContact CG1-CG2 4.45Å; V66-T70 WeakPolarHBondContact O-CB 3.33Å; V66-T70 VanDerWaalsContact O-CG2 3.28Å; V66-T70 WeakPolarHBondContact O-CG2 3.44Å; V66-T70 PolarHBondContact O-N 3.18Å; V66-T70 PolarHBondContact O-OG1 3.26Å; R67-T70 WeakPolarHBondContact CA-OG1 3.39Å; R67-T70 PolarHBondContact O-N 3.29Å; R67-T70 PolarHBondContact O-OG1 3.24Å; Q68-T70 PolarHBondContact O-N 2.96Å; T70-A73 PolarHBondContact O-N 3.47Å; T70-T74 WeakPolarHBondContact O-CG2 3.38Å; T70-T74 PolarHBondContact O-N 3.49Å; T70-T74 PolarHBondContact O-OG1 2.93Å; T70-T74 VanDerWaalsContact O-OG1 3.07Å; T70-Y307 HydrophobicContact CG2-CE1 3.87Å; T70-Y307 PolarHBondContact OG1-OH 2.99Å; T70-M338 HydrophobicContact CG2-CE 3.81Å; T70-V341 HydrophobicContact CG2-CG1 3.94Å; T70-A342 HydrophobicContact CG2-CB 4.36Å
71	A	98.4	Very high	97.9	Very high	28 Å²	28	53.6 Å²	53.6	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-48.8	177.1	0	0	0	0	0	111.3	R67 Q68 A73 T74 F75 L78 F84	R67-A71 VanDerWaalsContact O-CB 3.28Å; R67-A71 WeakPolarHBondContact O-CB 3.48Å; R67-A71 PolarHBondContact O-N 2.9Å; Q68-A71 PolarHBondContact O-N 2.92Å; A71-A73 VanDerWaalsContact C-N 3.3Å; A71-A73 PolarHBondContact O-N 2.98Å; A71-T74 PolarHBondContact O-N 3.13Å; A71-T74 PolarHBondContact O-OG1 3.31Å; A71-F75 PolarHBondContact O-N 3.48Å; A71-L78 HydrophobicContact CB-CD1 4.17Å; A71-F84 HydrophobicContact CB-CE1 4.44Å
72	L	98.7	Very high	98	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-39.5	176.4	-70.9	162.3	0	0	0	112	Q68 V69 F75 P76 L78 L79 F84 T88 K89 A92	Q68-L72 WeakPolarHBondContact O-CB 3.42Å; Q68-L72 WeakPolarHBondContact O-CD1 3.36Å; Q68-L72 VanDerWaalsContact O-CG 3.27Å; Q68-L72 WeakPolarHBondContact O-CG 3.37Å; Q68-L72 PolarHBondContact O-N 2.7Å; V69-L72 PolarHBondContact O-N 2.98Å; L72-F75 CarbonylContact O-C 3.6Å; L72-P76 VanDerWaalsContact O-CA 3.28Å; L72-P76 WeakPolarHBondContact O-CA 3.23Å; L72-L78 VanDerWaalsContact CD2-C 3.44Å; L72-L78 HydrophobicContact CD2-CB 3.58Å; L72-L78 WeakPolarHBondContact CD2-O 3.23Å; L72-L79 HydrophobicContact CD2-CD2 3.97Å; L72-L79 HydrophobicContact CD2-CG 4.25Å; L72-F84 HydrophobicContact CD1-CD1 3.72Å; L72-F84 HydrophobicContact CD1-CE1 4.39Å; L72-F84 HydrophobicContact CD1-CG 4.44Å; L72-F84 HydrophobicContact CD2-CB 4.38Å; L72-F84 HydrophobicContact CD2-CD1 3.86Å; L72-F84 HydrophobicContact CD2-CE1 4.32Å; L72-F84 HydrophobicContact CD2-CG 4.07Å; L72-F84 HydrophobicContact CG-CD1 3.7Å; L72-F84 HydrophobicContact CG-CE1 3.99Å; L72-F84 HydrophobicContact CG-CG 4.4Å; L72-T88 WeakPolarHBondContact CD1-OG1 3.43Å; L72-K89 HydrophobicContact CD1-CG 4.21Å; L72-K89 HydrophobicContact CD2-CG 4.36Å; L72-A92 HydrophobicContact CB-CB 3.46Å; L72-A92 VanDerWaalsContact CB-CB 3.46Å; L72-A92 HydrophobicContact CD1-CB 4.14Å; L72-A92 HydrophobicContact CG-CB 4.42Å
73	A	98.4	Very high	98.1	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-37.7	177.8	0	0	0	0	0	112.5	V69 T70 A71 V104 V341	V69-A73 WeakPolarHBondContact O-CB 3.46Å; V69-A73 PolarHBondContact O-N 3.44Å; T70-A73 PolarHBondContact O-N 3.47Å; A71-A73 VanDerWaalsContact C-N 3.3Å; A71-A73 PolarHBondContact O-N 2.98Å; A73-V104 HydrophobicContact CB-CG1 3.88Å; A73-V104 WeakPolarHBondContact O-CG2 3.37Å; A73-V341 HydrophobicContact CB-CG1 3.99Å; A73-V341 HydrophobicContact CB-CG2 4.34Å
74	T	98	Very high	98.1	Very high	82 Å²	82	55.2 Å²	55.2	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-79.3	-28.8	177.3	56.1	0	0	0	0	113.9	T70 A71 V104 M338	T70-T74 WeakPolarHBondContact O-CG2 3.38Å; T70-T74 PolarHBondContact O-N 3.49Å; T70-T74 PolarHBondContact O-OG1 2.93Å; T70-T74 VanDerWaalsContact O-OG1 3.07Å; A71-T74 PolarHBondContact O-N 3.13Å; A71-T74 PolarHBondContact O-OG1 3.31Å; T74-V104 HydrophobicContact CG2-CG2 4.34Å; T74-M338 HydrophobicContact CG2-CE 3.48Å; T74-M338 VanDerWaalsContact CG2-CE 3.48Å; T74-M338 HydrophobicContact CG2-CG 4.41Å; T74-M338 HydrophobicContact CG2-SD 3.49Å; T74-M338 WeakPolarHBondContact CG2-SD 3.34Å
75	F	98	Very high	98.1	Very high	110 Å²	110	55.1 Å²	55.1	48%	0.482	28%	0.281	S	S	.	.			trans	-136.4	77.9	-178.5	-168.2	-134.6	0	0	0	110.6	A71 L72 H77 L78	A71-F75 PolarHBondContact O-N 3.48Å; L72-F75 CarbonylContact O-C 3.6Å; F75-H77 HydrophobicContact CD2-CB 4.49Å; F75-H77 HydrophobicContact CE1-CB 4.17Å; F75-H77 HydrophobicContact CE2-CB 4.06Å; F75-H77 AromaticContact CE2-CG 3.94Å; F75-H77 HydrophobicContact CZ-CB 3.88Å; F75-H77 PolarHBondContact O-N 3.25Å; F75-L78 HydrophobicContact CB-CD1 4.23Å; F75-L78 HydrophobicContact CB-CG 4.49Å; F75-L78 HydrophobicContact CD1-CD1 3.95Å; F75-L78 HydrophobicContact CD1-CD2 4.1Å; F75-L78 HydrophobicContact CD1-CG 3.64Å; F75-L78 HydrophobicContact CE1-CD2 4.38Å; F75-L78 HydrophobicContact CE1-CG 4.33Å; F75-L78 HydrophobicContact CG-CG 4.43Å; F75-L78 WeakPolarHBondContact O-CB 3.47Å; F75-L78 WeakPolarHBondContact O-CG 3.35Å; F75-L78 PolarHBondContact O-N 3.12Å
76	P	97.7	Very high	98	Very high	48 Å²	48	60.4 Å²	60.4	31%	0.312	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-60.5	-13.2	-173.1	-26.7	36	0	0	0	115.7	L72 L78 L79 L96	L72-P76 VanDerWaalsContact O-CA 3.28Å; L72-P76 WeakPolarHBondContact O-CA 3.23Å; P76-L78 PolarHBondContact O-N 2.99Å; P76-L79 HydrophobicContact CB-CD1 4.07Å; P76-L79 VanDerWaalsContact O-CB 3.24Å; P76-L79 WeakPolarHBondContact O-CB 3.33Å; P76-L79 WeakPolarHBondContact O-CD1 3.27Å; P76-L79 WeakPolarHBondContact O-CG 3.46Å; P76-L79 PolarHBondContact O-N 2.87Å; P76-L96 HydrophobicContact CB-CD1 4.07Å; P76-L96 HydrophobicContact CG-CD1 3.87Å; P76-L96 HydrophobicContact CG-CD2 4.27Å
77	H	97.5	Very high	98	Very high	147 Å²	147	61.1 Å²	61.1	68%	0.681	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25	173.2	-66.3	23.9	0	0	0	112.2	F75 L79 E80	F75-H77 HydrophobicContact CD2-CB 4.49Å; F75-H77 HydrophobicContact CE1-CB 4.17Å; F75-H77 HydrophobicContact CE2-CB 4.06Å; F75-H77 AromaticContact CE2-CG 3.94Å; F75-H77 HydrophobicContact CZ-CB 3.88Å; F75-H77 PolarHBondContact O-N 3.25Å; H77-L79 PolarHBondContact O-N 3.2Å; H77-E80 PolarHBondContact O-N 3.28Å
78	L	98.2	Very high	98.1	Very high	37 Å²	37	58.3 Å²	58.3	19%	0.194	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-67.5	-12.2	174.7	-62.7	174.2	0	0	0	113.3	A71 L72 F75 P76 E80 D81 F84	A71-L78 HydrophobicContact CB-CD1 4.17Å; L72-L78 VanDerWaalsContact CD2-C 3.44Å; L72-L78 HydrophobicContact CD2-CB 3.58Å; L72-L78 WeakPolarHBondContact CD2-O 3.23Å; F75-L78 HydrophobicContact CB-CD1 4.23Å; F75-L78 HydrophobicContact CB-CG 4.49Å; F75-L78 HydrophobicContact CD1-CD1 3.95Å; F75-L78 HydrophobicContact CD1-CD2 4.1Å; F75-L78 HydrophobicContact CD1-CG 3.64Å; F75-L78 HydrophobicContact CE1-CD2 4.38Å; F75-L78 HydrophobicContact CE1-CG 4.33Å; F75-L78 HydrophobicContact CG-CG 4.43Å; F75-L78 WeakPolarHBondContact O-CB 3.47Å; F75-L78 WeakPolarHBondContact O-CG 3.35Å; F75-L78 PolarHBondContact O-N 3.12Å; P76-L78 PolarHBondContact O-N 2.99Å; L78-E80 PolarHBondContact O-N 3.36Å; L78-D81 VanDerWaalsContact O-CB 3.32Å; L78-D81 WeakPolarHBondContact O-CB 3.3Å; L78-D81 PolarHBondContact O-N 3.43Å; L78-F84 HydrophobicContact CB-CD2 4.46Å; L78-F84 HydrophobicContact CB-CE2 4.18Å; L78-F84 HydrophobicContact CB-CZ 4.38Å; L78-F84 HydrophobicContact CD1-CE2 4.25Å; L78-F84 HydrophobicContact CD1-CZ 3.86Å; L78-F84 HydrophobicContact CD2-CE2 4.08Å; L78-F84 HydrophobicContact CD2-CZ 4.5Å; L78-F84 HydrophobicContact CG-CE2 4.39Å; L78-F84 HydrophobicContact CG-CZ 4.47Å
79	L	98.1	Very high	98.1	Very high	26 Å²	26	56.9 Å²	56.9	14%	0.136	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.3	175.2	-68.4	168.3	0	0	0	112.3	L72 P76 H77 D81 K89 A92 K93 L96	L72-L79 HydrophobicContact CD2-CD2 3.97Å; L72-L79 HydrophobicContact CD2-CG 4.25Å; P76-L79 HydrophobicContact CB-CD1 4.07Å; P76-L79 VanDerWaalsContact O-CB 3.24Å; P76-L79 WeakPolarHBondContact O-CB 3.33Å; P76-L79 WeakPolarHBondContact O-CD1 3.27Å; P76-L79 WeakPolarHBondContact O-CG 3.46Å; P76-L79 PolarHBondContact O-N 2.87Å; H77-L79 PolarHBondContact O-N 3.2Å; L79-D81 VanDerWaalsContact C-N 3.35Å; L79-K89 HydrophobicContact CD2-CB 4Å; L79-K89 HydrophobicContact CD2-CG 4.18Å; L79-K89 WeakPolarHBondContact O-CD 3.45Å; L79-K89 WeakPolarHBondContact O-CE 3.28Å; L79-K89 PolarHBondContact O-NZ 3.28Å; L79-A92 HydrophobicContact CD2-CB 4.3Å; L79-K93 HydrophobicContact CD1-CG 4.14Å; L79-K93 HydrophobicContact CD2-CG 3.93Å; L79-L96 HydrophobicContact CD1-CD1 4.33Å
80	E	97.8	Very high	98	Very high	161 Å²	161	59.9 Å²	59.9	75%	0.752	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-83.9	-11.4	176.8	-58.2	-54.4	136.1	0	0	112.8	H77 L78 K82	H77-E80 PolarHBondContact O-N 3.28Å; L78-E80 PolarHBondContact O-N 3.36Å; E80-K82 PolarHBondContact O-N 3.31Å
81	D	97.7	Very high	98.1	Very high	65 Å²	65	60.6 Å²	60.6	35%	0.348	32%	0.315	S	S	.	.			trans	-75.3	123.5	180	-168.3	-33	0	0	0	110.5	L78 L79 S83 F84 K89	L78-D81 VanDerWaalsContact O-CB 3.32Å; L78-D81 WeakPolarHBondContact O-CB 3.3Å; L78-D81 PolarHBondContact O-N 3.43Å; L79-D81 VanDerWaalsContact C-N 3.35Å; D81-S83 PolarHBondContact O-N 3.4Å; D81-S83 VanDerWaalsContact OD1-CB 3.26Å; D81-S83 WeakPolarHBondContact OD1-CB 3.44Å; D81-S83 PolarHBondContact OD1-N 3.47Å; D81-S83 PolarHBondContact OD1-OG 3.21Å; D81-S83 PolarHBondContact OD2-OG 3.19Å; D81-F84 HydrophobicContact CB-CD2 3.98Å; D81-F84 PolarHBondContact O-N 2.83Å; D81-K89 WeakPolarHBondContact O-CE 3.43Å; D81-K89 PolarHBondContact O-NZ 2.91Å
82	K	96.8	Very high	98.1	Very high	199 Å²	199	59.2 Å²	59.2	87%	0.865	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.3	-179.1	-63.4	-177	-178.7	179.5	0	113.6	E80 F84	E80-K82 PolarHBondContact O-N 3.31Å; K82-F84 VanDerWaalsContact C-N 3.29Å
83	S	97	Very high	98	Very high	84 Å²	84	64 Å²	64	59%	0.587	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-16.7	176	67.8	0	0	0	0	113.3	D81	D81-S83 PolarHBondContact O-N 3.4Å; D81-S83 VanDerWaalsContact OD1-CB 3.26Å; D81-S83 WeakPolarHBondContact OD1-CB 3.44Å; D81-S83 PolarHBondContact OD1-N 3.47Å; D81-S83 PolarHBondContact OD1-OG 3.21Å; D81-S83 PolarHBondContact OD2-OG 3.19Å
84	F	98.3	Very high	98	Very high	32 Å²	32	68.4 Å²	68.4	14%	0.14	35%	0.348	C	S	.	.	S	Bend	trans	-87.2	131	176.3	-78.8	-101.2	0	0	0	111.5	Q68 A71 L72 L78 D81 K82 K89	Q68-F84 HydrophobicContact CB-CD1 4.07Å; Q68-F84 HydrophobicContact CB-CE1 4.06Å; Q68-F84 HydrophobicContact CG-CD1 4.07Å; Q68-F84 HydrophobicContact CG-CE1 3.95Å; A71-F84 HydrophobicContact CB-CE1 4.44Å; L72-F84 HydrophobicContact CD1-CD1 3.72Å; L72-F84 HydrophobicContact CD1-CE1 4.39Å; L72-F84 HydrophobicContact CD1-CG 4.44Å; L72-F84 HydrophobicContact CD2-CB 4.38Å; L72-F84 HydrophobicContact CD2-CD1 3.86Å; L72-F84 HydrophobicContact CD2-CE1 4.32Å; L72-F84 HydrophobicContact CD2-CG 4.07Å; L72-F84 HydrophobicContact CG-CD1 3.7Å; L72-F84 HydrophobicContact CG-CE1 3.99Å; L72-F84 HydrophobicContact CG-CG 4.4Å; L78-F84 HydrophobicContact CB-CD2 4.46Å; L78-F84 HydrophobicContact CB-CE2 4.18Å; L78-F84 HydrophobicContact CB-CZ 4.38Å; L78-F84 HydrophobicContact CD1-CE2 4.25Å; L78-F84 HydrophobicContact CD1-CZ 3.86Å; L78-F84 HydrophobicContact CD2-CE2 4.08Å; L78-F84 HydrophobicContact CD2-CZ 4.5Å; L78-F84 HydrophobicContact CG-CE2 4.39Å; L78-F84 HydrophobicContact CG-CZ 4.47Å; D81-F84 HydrophobicContact CB-CD2 3.98Å; D81-F84 PolarHBondContact O-N 2.83Å; K82-F84 VanDerWaalsContact C-N 3.29Å; F84-K89 HydrophobicContact CB-CG 4.3Å; F84-K89 VanDerWaalsContact O-CE 3.22Å; F84-K89 WeakPolarHBondContact O-CE 3.44Å
85	P	98.2	Very high	98.1	Very high	28 Å²	28	64.6 Å²	64.6	18%	0.182	33%	0.325	C	S	.	.			trans	-59.5	142.5	175.7	-27.4	37	0	0	0	113.9	D87 T88 K89 P355 S356	P85-D87 VanDerWaalsContact C-N 3.31Å; P85-D87 WeakPolarHBondContact CB-OD1 3.46Å; P85-D87 PolarHBondContact O-N 2.73Å; P85-T88 HydrophobicContact CB-CG2 4.12Å; P85-T88 HydrophobicContact CG-CG2 4.33Å; P85-T88 PolarHBondContact O-N 3.05Å; P85-T88 VanDerWaalsContact O-N 3.13Å; P85-T88 PolarHBondContact O-OG1 3.14Å; P85-K89 PolarHBondContact O-N 3.11Å; P85-K89 VanDerWaalsContact O-N 3.14Å; P85-P355 HydrophobicContact CB-CB 4.12Å; P85-S356 VanDerWaalsContact CB-OG 3.32Å; P85-S356 WeakPolarHBondContact CB-OG 3.43Å
86	E	98.2	Very high	98.1	Very high	115 Å²	115	59.8 Å²	59.8	54%	0.537	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-31.3	-176.6	-70.8	-57.1	130.2	0	0	113.9	K89 S90	E86-K89 PolarHBondContact O-N 2.91Å; E86-K89 WeakPolarHBondContact OE1-CD 3.36Å; E86-K89 IonicContact OE1-NZ 3.96Å; E86-K89 PolarHBondContact OE1-NZ 2.96Å; E86-S90 WeakPolarHBondContact O-CB 3.37Å; E86-S90 PolarHBondContact O-N 3.34Å
87	D	98.4	Very high	98.1	Very high	16 Å²	16	61.2 Å²	61.2	9%	0.086	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-39.2	173.8	56.5	-21.3	0	0	0	112	P85 S90 K91 E354 S356	P85-D87 VanDerWaalsContact C-N 3.31Å; P85-D87 WeakPolarHBondContact CB-OD1 3.46Å; P85-D87 PolarHBondContact O-N 2.73Å; D87-S90 PolarHBondContact O-N 3.2Å; D87-K91 WeakPolarHBondContact O-CB 3.43Å; D87-K91 PolarHBondContact O-N 2.84Å; D87-K91 VanDerWaalsContact O-N 3.08Å; D87-E354 HydrophobicContact CB-CB 4.14Å; D87-E354 HydrophobicContact CB-CG 4.49Å; D87-S356 VanDerWaalsContact CG-OG 3.26Å; D87-S356 PolarHBondContact OD1-OG 3.02Å; D87-S356 WeakPolarHBondContact OD2-CA 3.49Å; D87-S356 WeakPolarHBondContact OD2-CB 3.33Å; D87-S356 PolarHBondContact OD2-N 2.96Å; D87-S356 PolarHBondContact OD2-OG 3.03Å
88	T	98.6	Very high	98.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-39.7	173.3	67.3	0	0	0	0	112.2	F65 Q68 V69 L72 P85 A92 S356	F65-T88 HydrophobicContact CD2-CG2 3.56Å; F65-T88 HydrophobicContact CE2-CG2 3.68Å; Q68-T88 HydrophobicContact CB-CG2 3.86Å; V69-T88 HydrophobicContact CG2-CG2 4.35Å; L72-T88 WeakPolarHBondContact CD1-OG1 3.43Å; P85-T88 HydrophobicContact CB-CG2 4.12Å; P85-T88 HydrophobicContact CG-CG2 4.33Å; P85-T88 PolarHBondContact O-N 3.05Å; P85-T88 VanDerWaalsContact O-N 3.13Å; P85-T88 PolarHBondContact O-OG1 3.14Å; T88-A92 WeakPolarHBondContact O-CB 3.42Å; T88-A92 PolarHBondContact O-N 3.05Å; T88-S356 WeakPolarHBondContact CG2-OG 3.1Å
89	K	98.6	Very high	98.1	Very high	10 Å²	10	55 Å²	55	4%	0.043	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-44.6	176.4	-67	178.1	-176.9	174	0	112	L72 L79 D81 F84 P85 E86 A92 K93	L72-K89 HydrophobicContact CD1-CG 4.21Å; L72-K89 HydrophobicContact CD2-CG 4.36Å; L79-K89 HydrophobicContact CD2-CB 4Å; L79-K89 HydrophobicContact CD2-CG 4.18Å; L79-K89 WeakPolarHBondContact O-CD 3.45Å; L79-K89 WeakPolarHBondContact O-CE 3.28Å; L79-K89 PolarHBondContact O-NZ 3.28Å; D81-K89 WeakPolarHBondContact O-CE 3.43Å; D81-K89 PolarHBondContact O-NZ 2.91Å; F84-K89 HydrophobicContact CB-CG 4.3Å; F84-K89 VanDerWaalsContact O-CE 3.22Å; F84-K89 WeakPolarHBondContact O-CE 3.44Å; P85-K89 PolarHBondContact O-N 3.11Å; P85-K89 VanDerWaalsContact O-N 3.14Å; E86-K89 PolarHBondContact O-N 2.91Å; E86-K89 WeakPolarHBondContact OE1-CD 3.36Å; E86-K89 IonicContact OE1-NZ 3.96Å; E86-K89 PolarHBondContact OE1-NZ 2.96Å; K89-A92 PolarHBondContact O-N 3.21Å; K89-K93 WeakPolarHBondContact O-CB 3.42Å; K89-K93 VanDerWaalsContact O-CG 3.27Å; K89-K93 WeakPolarHBondContact O-CG 3.22Å; K89-K93 PolarHBondContact O-N 3.21Å
90	S	98.2	Very high	98	Very high	62 Å²	62	57.9 Å²	57.9	43%	0.434	32%	0.321	S	S	.	.	H	α-helix	trans	-57.9	-50.4	177.2	-168.5	0	0	0	0	110.3	E86 D87 A92 K93 D94	E86-S90 WeakPolarHBondContact O-CB 3.37Å; E86-S90 PolarHBondContact O-N 3.34Å; D87-S90 PolarHBondContact O-N 3.2Å; S90-A92 PolarHBondContact O-N 2.77Å; S90-K93 WeakPolarHBondContact O-CB 3.36Å; S90-K93 PolarHBondContact O-N 3.45Å; S90-D94 PolarHBondContact O-N 3.38Å
91	K	98.3	Very high	98	Very high	20 Å²	20	53.9 Å²	53.9	9%	0.087	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-45.9	177.4	177.9	170.7	-70.6	-64.5	0	112.5	F65 V69 D87 K93 D94 L95 D344 A345 N348	F65-K91 HydrophobicContact CE1-CD 3.98Å; F65-K91 HydrophobicContact CZ-CD 3.81Å; V69-K91 HydrophobicContact CG1-CD 3.94Å; V69-K91 HydrophobicContact CG1-CG 3.98Å; V69-K91 HydrophobicContact CG2-CB 4.46Å; V69-K91 HydrophobicContact CG2-CD 3.78Å; V69-K91 HydrophobicContact CG2-CG 4.26Å; D87-K91 WeakPolarHBondContact O-CB 3.43Å; D87-K91 PolarHBondContact O-N 2.84Å; D87-K91 VanDerWaalsContact O-N 3.08Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K91-K93 PolarHBondContact O-N 3.42Å; K91-D94 PolarHBondContact O-N 3.33Å; K91-L95 HydrophobicContact CG-CD1 3.98Å; K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 3.22Å; K91-D344 IonicContact NZ-OD2 2.77Å; K91-D344 PolarHBondContact NZ-OD2 3.13Å; K91-A345 HydrophobicContact CD-CB 4.43Å; K91-N348 WeakPolarHBondContact CE-O 3.22Å; K91-N348 PolarHBondContact NZ-ND2 2.9Å; K91-N348 PolarHBondContact NZ-O 3.43Å
92	A	98.5	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-39.9	177.6	0	0	0	0	0	112	L72 L79 T88 K89 S90 L95 L96	L72-A92 HydrophobicContact CB-CB 3.46Å; L72-A92 VanDerWaalsContact CB-CB 3.46Å; L72-A92 HydrophobicContact CD1-CB 4.14Å; L72-A92 HydrophobicContact CG-CB 4.42Å; L79-A92 HydrophobicContact CD2-CB 4.3Å; T88-A92 WeakPolarHBondContact O-CB 3.42Å; T88-A92 PolarHBondContact O-N 3.05Å; K89-A92 PolarHBondContact O-N 3.21Å; S90-A92 PolarHBondContact O-N 2.77Å; A92-L95 PolarHBondContact O-N 2.93Å; A92-L96 WeakPolarHBondContact O-CB 2.94Å; A92-L96 WeakPolarHBondContact O-CD1 3.41Å; A92-L96 WeakPolarHBondContact O-CG 3.47Å; A92-L96 PolarHBondContact O-N 3.33Å
93	K	98.5	Very high	98	Very high	101 Å²	101	47.4 Å²	47.4	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-44.9	174.9	-74.4	170.7	-179.2	177.1	0	111.8	L79 K89 S90 K91 L95 L96 A97	L79-K93 HydrophobicContact CD1-CG 4.14Å; L79-K93 HydrophobicContact CD2-CG 3.93Å; K89-K93 WeakPolarHBondContact O-CB 3.42Å; K89-K93 VanDerWaalsContact O-CG 3.27Å; K89-K93 WeakPolarHBondContact O-CG 3.22Å; K89-K93 PolarHBondContact O-N 3.21Å; S90-K93 WeakPolarHBondContact O-CB 3.36Å; S90-K93 PolarHBondContact O-N 3.45Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K91-K93 PolarHBondContact O-N 3.42Å; K93-L95 PolarHBondContact O-N 2.97Å; K93-L96 PolarHBondContact O-N 2.78Å; K93-A97 VanDerWaalsContact O-CB 3.28Å; K93-A97 WeakPolarHBondContact O-CB 3.19Å; K93-A97 PolarHBondContact O-N 2.82Å
94	D	98.2	Very high	98	Very high	94 Å²	94	44.6 Å²	44.6	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-43.7	178.6	-65.8	-24.3	0	0	0	111.6	S90 K91 A97 A98	S90-D94 PolarHBondContact O-N 3.38Å; K91-D94 PolarHBondContact O-N 3.33Å; D94-A97 PolarHBondContact O-N 3.06Å; D94-A98 PolarHBondContact O-N 3.1Å; D94-A98 VanDerWaalsContact O-N 3.14Å
95	L	98.5	Very high	97.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-42.6	177	-70.5	169.8	0	0	0	112.3	V69 K91 A92 K93 A98 C99 V115 V116 V341 D344	V69-L95 HydrophobicContact CG1-CD1 3.98Å; K91-L95 HydrophobicContact CG-CD1 3.98Å; K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 3.22Å; A92-L95 PolarHBondContact O-N 2.93Å; K93-L95 PolarHBondContact O-N 2.97Å; L95-A98 PolarHBondContact O-N 2.84Å; L95-C99 PolarHBondContact O-N 3.09Å; L95-C99 PolarHBondContact O-SG 3.37Å; L95-V115 HydrophobicContact CD2-CG1 4.13Å; L95-V116 HydrophobicContact CD2-CG2 3.63Å; L95-V341 HydrophobicContact CD1-CB 4.42Å; L95-V341 HydrophobicContact CD1-CG1 4Å; L95-V341 HydrophobicContact CD1-CG2 4.36Å; L95-D344 HydrophobicContact CD1-CB 4.24Å; L95-D344 HydrophobicContact CD2-CB 3.95Å
96	L	98.4	Very high	97.9	Very high	9 Å²	9	46.6 Å²	46.6	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-42.7	176.3	-70.9	166.6	0	0	0	110.9	P76 L79 A92 K93 A98 C99 S102 V104	P76-L96 HydrophobicContact CB-CD1 4.07Å; P76-L96 HydrophobicContact CG-CD1 3.87Å; P76-L96 HydrophobicContact CG-CD2 4.27Å; L79-L96 HydrophobicContact CD1-CD1 4.33Å; A92-L96 WeakPolarHBondContact O-CB 2.94Å; A92-L96 WeakPolarHBondContact O-CD1 3.41Å; A92-L96 WeakPolarHBondContact O-CG 3.47Å; A92-L96 PolarHBondContact O-N 3.33Å; K93-L96 PolarHBondContact O-N 2.78Å; L96-A98 PolarHBondContact O-N 2.86Å; L96-C99 WeakPolarHBondContact O-CA 3.48Å; L96-C99 WeakPolarHBondContact O-CB 3.4Å; L96-C99 PolarHBondContact O-N 2.91Å; L96-S102 WeakPolarHBondContact CD2-O 3.4Å; L96-S102 WeakPolarHBondContact O-CA 3.38Å; L96-V104 HydrophobicContact CD2-CG1 4.13Å
97	A	98.2	Very high	97.8	Very high	78 Å²	78	48.9 Å²	48.9	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-61.4	-29.7	177.2	0	0	0	0	0	112.9	K93 D94 C99	K93-A97 VanDerWaalsContact O-CB 3.28Å; K93-A97 WeakPolarHBondContact O-CB 3.19Å; K93-A97 PolarHBondContact O-N 2.82Å; D94-A97 PolarHBondContact O-N 3.06Å; A97-C99 VanDerWaalsContact C-N 3.3Å
98	A	97.8	Very high	97.7	Very high	46 Å²	46	48.9 Å²	48.9	38%	0.38	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.3	173.1	0	0	0	0	0	113.8	D94 L95 L96 L113 V115	D94-A98 PolarHBondContact O-N 3.1Å; D94-A98 VanDerWaalsContact O-N 3.14Å; L95-A98 PolarHBondContact O-N 2.84Å; L96-A98 PolarHBondContact O-N 2.86Å; A98-L113 HydrophobicContact CB-CD2 4.18Å; A98-L113 WeakPolarHBondContact O-CD2 3.3Å; A98-V115 HydrophobicContact CB-CB 4.33Å; A98-V115 HydrophobicContact CB-CG1 3.54Å
99	C	98	Very high	97.6	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.054	35%	0.347	C	S	.	.	S	Bend	trans	-91.4	142.8	176.8	-63.5	0	0	0	0	111.2	L95 L96 A97 G101 S102 S103	L95-C99 PolarHBondContact O-N 3.09Å; L95-C99 PolarHBondContact O-SG 3.37Å; L96-C99 WeakPolarHBondContact O-CA 3.48Å; L96-C99 WeakPolarHBondContact O-CB 3.4Å; L96-C99 PolarHBondContact O-N 2.91Å; A97-C99 VanDerWaalsContact C-N 3.3Å; C99-G101 PolarHBondContact O-N 3.22Å; C99-S102 PolarHBondContact O-N 3.26Å; C99-S102 VanDerWaalsContact O-N 3.1Å; C99-S103 WeakPolarHBondContact CB-O 3.36Å
100	S	96	Very high	97.6	Very high	86 Å²	86	55 Å²	55	60%	0.601	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-63.3	132.1	173.8	-69.5	0	0	0	0	110.5	S102 S106	S100-S102 PolarHBondContact O-N 2.83Å; S100-S106 PolarHBondContact N-OG 3.09Å; S100-S106 WeakPolarHBondContact O-CB 3.43Å; S100-S106 PolarHBondContact O-OG 3.11Å
101	G	96.9	Very high	97.5	Very high	77 Å²	77	52.6 Å²	52.6	79%	0.794	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	64.5	19.7	-176.9	0	0	0	0	0	114.1	C99 S103	C99-G101 PolarHBondContact O-N 3.22Å; G101-S103 PolarHBondContact O-N 3.19Å
102	S	97.1	Very high	97.5	Very high	75 Å²	75	51.7 Å²	51.7	52%	0.524	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	53.5	38.3	-178.7	-54.6	0	0	0	0	113.5	L96 C99 S100	L96-S102 WeakPolarHBondContact CD2-O 3.4Å; L96-S102 WeakPolarHBondContact O-CA 3.38Å; C99-S102 PolarHBondContact O-N 3.26Å; C99-S102 VanDerWaalsContact O-N 3.1Å; S100-S102 PolarHBondContact O-N 2.83Å
103	S	97.6	Very high	97.5	Very high	53 Å²	53	52 Å²	52	37%	0.371	33%	0.334	S	S	.	.			trans	-135.8	128.2	-173.3	176.8	0	0	0	0	111.9	C99 G101 G105 S106	C99-S103 WeakPolarHBondContact CB-O 3.36Å; G101-S103 PolarHBondContact O-N 3.19Å; S103-G105 PolarHBondContact O-N 2.76Å; S103-G105 VanDerWaalsContact O-N 3.11Å; S103-G105 PolarHBondContact OG-N 3.38Å; S103-G105 VanDerWaalsContact OG-N 3.09Å; S103-S106 WeakPolarHBondContact O-CB 3.13Å; S103-S106 PolarHBondContact O-N 3.41Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S103-S106 PolarHBondContact O-OG 3.22Å
104	V	97.4	Very high	97.5	Very high	24 Å²	24	51.6 Å²	51.6	15%	0.145	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	0	170.4	-62.2	0	0	0	0	113.6	A73 T74 L96 L337 M338 V341	A73-V104 HydrophobicContact CB-CG1 3.88Å; A73-V104 WeakPolarHBondContact O-CG2 3.37Å; T74-V104 HydrophobicContact CG2-CG2 4.34Å; L96-V104 HydrophobicContact CD2-CG1 4.13Å; V104-L337 WeakPolarHBondContact O-CD2 3.42Å; V104-M338 HydrophobicContact CB-SD 4.01Å; V104-M338 HydrophobicContact CG1-SD 4.28Å; V104-M338 HydrophobicContact CG2-SD 3.86Å; V104-V341 HydrophobicContact CG1-CG2 4.14Å
105	G	96.8	Very high	97.5	Very high	69 Å²	69	49 Å²	49	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.6	170.3	0	0	0	0	0	114.5	S103	S103-G105 PolarHBondContact O-N 2.76Å; S103-G105 VanDerWaalsContact O-N 3.11Å; S103-G105 PolarHBondContact OG-N 3.38Å; S103-G105 VanDerWaalsContact OG-N 3.09Å
106	S	96.8	Very high	97.6	Very high	33 Å²	33	49 Å²	49	23%	0.231	32%	0.321	C	S	.	.	S	Bend	trans	-81.5	177.2	177.2	62.1	0	0	0	0	112.3	S100 S103 L337	S100-S106 PolarHBondContact N-OG 3.09Å; S100-S106 WeakPolarHBondContact O-CB 3.43Å; S100-S106 PolarHBondContact O-OG 3.11Å; S103-S106 WeakPolarHBondContact O-CB 3.13Å; S103-S106 PolarHBondContact O-N 3.41Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S103-S106 PolarHBondContact O-OG 3.22Å; S106-L337 WeakPolarHBondContact O-CD2 3.29Å
107	Y	96.9	Very high	97.6	Very high	163 Å²	163	49.2 Å²	49.2	64%	0.639	32%	0.321	S	S	*	.			trans	-84.5	146.9	163.2	-68.5	-64.5	0	0	0	109.7	L333	Y107-L333 HydrophobicContact CD1-CB 4.22Å; Y107-L333 HydrophobicContact CD1-CD1 4.41Å; Y107-L333 HydrophobicContact CE1-CB 4.16Å; Y107-L333 HydrophobicContact CE1-CD1 3.61Å; Y107-L333 HydrophobicContact CE2-CD1 4.37Å; Y107-L333 WeakPolarHBondContact OH-CD1 3.48Å
108	S	97	Very high	97.6	Very high	16 Å²	16	50.2 Å²	50.2	11%	0.112	31%	0.308	C	S	.	.			trans	-99	178.2	163.2	70.4	0	0	0	0	111	C334 L337 Q340	S108-C334 VanDerWaalsContact O-CB 3.23Å; S108-C334 WeakPolarHBondContact O-CB 2.86Å; S108-L337 VanDerWaalsContact CB-CD1 3.49Å; S108-L337 VanDerWaalsContact OG-CD1 3.24Å; S108-L337 WeakPolarHBondContact OG-CD1 3.17Å; S108-Q340 PolarHBondContact OG-NE2 3.14Å; S108-Q340 PolarHBondContact OG-OE1 3.36Å
109	H	96.8	Very high	97.6	Very high	113 Å²	113	48.6 Å²	48.6	52%	0.523	29%	0.294	S	S	.	.			trans	-56.7	151	171.2	-175.2	-93.1	0	0	0	111	L111 G112	H109-L111 PolarHBondContact ND1-N 3.37Å; H109-L111 PolarHBondContact O-N 2.96Å; H109-L111 VanDerWaalsContact O-N 3.12Å; H109-G112 WeakPolarHBondContact O-CA 3.47Å; H109-G112 PolarHBondContact O-N 3.02Å
110	S	97	Very high	97.7	Very high	27 Å²	27	48.2 Å²	48.2	19%	0.189	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.9	-173.5	-55.3	0	0	0	0	115.8	G112 R332 L333	S110-G112 VanDerWaalsContact C-N 3.33Å; S110-R332 PolarHBondContact O-NH2 3.31Å; S110-L333 WeakPolarHBondContact CA-O 3.46Å; S110-L333 WeakPolarHBondContact CB-O 3.35Å; S110-L333 PolarHBondContact OG-O 2.97Å
111	L	97.9	Very high	97.8	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.058	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.4	172.6	-52.9	179.5	0	0	0	112.8	H109 F138 L139 Y326 L329	H109-L111 PolarHBondContact ND1-N 3.37Å; H109-L111 PolarHBondContact O-N 2.96Å; H109-L111 VanDerWaalsContact O-N 3.12Å; L111-F138 HydrophobicContact CB-CB 4.14Å; L111-F138 HydrophobicContact CD2-CB 3.94Å; L111-L139 PolarHBondContact O-N 3.19Å; L111-Y326 HydrophobicContact CD1-CD1 4.35Å; L111-Y326 HydrophobicContact CD1-CD2 3.47Å; L111-Y326 VanDerWaalsContact CD1-CD2 3.47Å; L111-Y326 HydrophobicContact CD1-CE1 4.45Å; L111-Y326 HydrophobicContact CD1-CE2 3.58Å; L111-Y326 HydrophobicContact CD1-CG 3.88Å; L111-Y326 HydrophobicContact CD2-CD1 3.63Å; L111-Y326 HydrophobicContact CD2-CD2 4.18Å; L111-Y326 HydrophobicContact CD2-CE1 4.11Å; L111-Y326 HydrophobicContact CD2-CG 3.67Å; L111-Y326 HydrophobicContact CG-CD2 4.46Å; L111-Y326 HydrophobicContact CG-CG 4.4Å; L111-L329 HydrophobicContact CD2-CB 4.25Å; L111-L329 HydrophobicContact CD2-CD1 3.72Å
112	G	98.3	Very high	97.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.			trans	96.3	168	-171.8	0	0	0	0	0	113.8	H109 S110 E114 Q340	H109-G112 WeakPolarHBondContact O-CA 3.47Å; H109-G112 PolarHBondContact O-N 3.02Å; S110-G112 VanDerWaalsContact C-N 3.33Å; G112-E114 PolarHBondContact O-N 3.25Å; G112-Q340 VanDerWaalsContact CA-OE1 3.23Å
113	L	98.4	Very high	98	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	23%	0.231	C	C	.	.			trans	-54.6	129.8	177.4	-70.3	173.3	0	0	0	110.6	A98 V115 V116 R117	A98-L113 HydrophobicContact CB-CD2 4.18Å; A98-L113 WeakPolarHBondContact O-CD2 3.3Å; L113-V115 VanDerWaalsContact C-N 3.32Å; L113-V115 HydrophobicContact CB-CG1 4.25Å; L113-V115 PolarHBondContact O-N 3.39Å; L113-V116 HydrophobicContact CB-CB 4.26Å; L113-V116 HydrophobicContact CB-CG2 3.83Å; L113-V116 HydrophobicContact CD1-CG2 4.1Å; L113-V116 PolarHBondContact O-N 3.28Å; L113-R117 PolarHBondContact O-N 3.33Å
114	E	98.3	Very high	98	Very high	92 Å²	92	41.3 Å²	41.3	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-59.8	-42.7	-179.7	179.9	175.4	147.7	0	0	111.9	G112 V116 R117 R118 W134	G112-E114 PolarHBondContact O-N 3.25Å; E114-V116 VanDerWaalsContact C-N 3.28Å; E114-V116 PolarHBondContact O-N 3.21Å; E114-R117 PolarHBondContact O-N 2.9Å; E114-R117 VanDerWaalsContact O-N 3.16Å; E114-R118 HydrophobicContact CG-CG 4.31Å; E114-R118 WeakPolarHBondContact O-CG 3.28Å; E114-R118 PolarHBondContact O-N 2.77Å; E114-R118 IonicContact OE1-CZ 3.23Å; E114-R118 IonicContact OE1-NE 2.95Å; E114-R118 PolarHBondContact OE1-NE 3.04Å; E114-R118 IonicContact OE1-NH2 3.89Å; E114-R118 PolarHBondContact OE1-NH2 3.14Å; E114-W134 HydrophobicContact CG-CE3 3.93Å; E114-W134 HydrophobicContact CG-CH2 4.09Å; E114-W134 HydrophobicContact CG-CZ3 3.6Å
115	V	98.5	Very high	98.1	Very high	41 Å²	41	44.4 Å²	44.4	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-55.5	-44.1	178	64.6	0	0	0	0	111.6	L95 A98 L113 R118 D119	L95-V115 HydrophobicContact CD2-CG1 4.13Å; A98-V115 HydrophobicContact CB-CB 4.33Å; A98-V115 HydrophobicContact CB-CG1 3.54Å; L113-V115 VanDerWaalsContact C-N 3.32Å; L113-V115 HydrophobicContact CB-CG1 4.25Å; L113-V115 PolarHBondContact O-N 3.39Å; V115-R118 PolarHBondContact O-N 2.79Å; V115-D119 PolarHBondContact O-N 2.84Å
116	V	98.8	Very high	98.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.2	-40.8	179.7	-177.6	0	0	0	0	110.8	L95 L113 E114 R118 D119 V120 L139 L343 D344	L95-V116 HydrophobicContact CD2-CG2 3.63Å; L113-V116 HydrophobicContact CB-CB 4.26Å; L113-V116 HydrophobicContact CB-CG2 3.83Å; L113-V116 HydrophobicContact CD1-CG2 4.1Å; L113-V116 PolarHBondContact O-N 3.28Å; E114-V116 VanDerWaalsContact C-N 3.28Å; E114-V116 PolarHBondContact O-N 3.21Å; V116-R118 VanDerWaalsContact C-N 3.33Å; V116-R118 PolarHBondContact O-N 2.71Å; V116-D119 PolarHBondContact O-N 3.35Å; V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.42Å; V116-V120 PolarHBondContact O-N 3.08Å; V116-L139 HydrophobicContact CB-CD1 3.83Å; V116-L139 HydrophobicContact CG1-CD1 3.59Å; V116-L139 HydrophobicContact CG1-CD2 4.38Å; V116-L343 HydrophobicContact CG1-CD2 4.4Å; V116-D344 HydrophobicContact CG1-CB 4.09Å; V116-D344 HydrophobicContact CG2-CB 3.96Å
117	R	98.8	Very high	98.2	Very high	14 Å²	14	48 Å²	48	5%	0.053	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-39	175.7	-70.9	167.7	50.1	-164	-3.9	112.3	L113 E114 D119 V120 S121 W134 E135 I137 L139	L113-R117 PolarHBondContact O-N 3.33Å; E114-R117 PolarHBondContact O-N 2.9Å; E114-R117 VanDerWaalsContact O-N 3.16Å; R117-D119 VanDerWaalsContact C-N 3.35Å; R117-V120 PolarHBondContact O-N 3.36Å; R117-S121 WeakPolarHBondContact O-CB 3.37Å; R117-S121 PolarHBondContact O-N 3.32Å; R117-W134 HydrophobicContact CB-CB 4.42Å; R117-W134 HydrophobicContact CB-CE3 4.47Å; R117-W134 PolarHBondContact NE-O 2.97Å; R117-W134 VanDerWaalsContact NE-O 3.16Å; R117-W134 VanDerWaalsContact NH2-CZ3 3.25Å; R117-W134 PolarHBondContact NH2-O 3.22Å; R117-E135 VanDerWaalsContact NH2-CA 3.33Å; R117-I137 HydrophobicContact CB-CG2 4.49Å; R117-I137 HydrophobicContact CG-CG2 4.32Å; R117-I137 PolarHBondContact NE-O 3.16Å; R117-L139 HydrophobicContact CG-CD1 4.35Å; R117-L139 HydrophobicContact CG-CD2 4.12Å; R117-L139 HydrophobicContact CG-CG 3.94Å
118	R	98.8	Very high	98.2	Very high	99 Å²	99	40.8 Å²	40.8	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-65.6	-38.7	174.1	-71.6	178.2	179.2	-77	0.6	111.5	E114 V115 V116 S121 K122 W134	E114-R118 HydrophobicContact CG-CG 4.31Å; E114-R118 WeakPolarHBondContact O-CG 3.28Å; E114-R118 PolarHBondContact O-N 2.77Å; E114-R118 IonicContact OE1-CZ 3.23Å; E114-R118 IonicContact OE1-NE 2.95Å; E114-R118 PolarHBondContact OE1-NE 3.04Å; E114-R118 IonicContact OE1-NH2 3.89Å; E114-R118 PolarHBondContact OE1-NH2 3.14Å; V115-R118 PolarHBondContact O-N 2.79Å; V116-R118 VanDerWaalsContact C-N 3.33Å; V116-R118 PolarHBondContact O-N 2.71Å; R118-S121 VanDerWaalsContact O-CB 3.31Å; R118-S121 WeakPolarHBondContact O-CB 3.44Å; R118-S121 PolarHBondContact O-N 2.76Å; R118-K122 WeakPolarHBondContact O-CG 3.42Å; R118-K122 PolarHBondContact O-N 3.39Å; R118-W134 HydrophobicContact CG-CB 3.99Å; R118-W134 HydrophobicContact CG-CD2 3.95Å; R118-W134 HydrophobicContact CG-CE3 4.39Å; R118-W134 HydrophobicContact CG-CG 3.71Å
119	D	98.8	Very high	98.3	Very high	13 Å²	13	43 Å²	43	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-71.9	-35.3	176.9	-79.3	-1.1	0	0	0	112.5	V115 V116 R117 S121 K122 Y123 V347 N348	V115-D119 PolarHBondContact O-N 2.84Å; V116-D119 PolarHBondContact O-N 3.35Å; R117-D119 VanDerWaalsContact C-N 3.35Å; D119-S121 VanDerWaalsContact C-N 3.34Å; D119-S121 PolarHBondContact O-N 2.82Å; D119-K122 PolarHBondContact O-N 2.87Å; D119-K122 IonicContact OD1-NZ 2.92Å; D119-K122 PolarHBondContact OD1-NZ 2.84Å; D119-Y123 WeakPolarHBondContact O-CB 3.23Å; D119-Y123 PolarHBondContact O-N 3.37Å; D119-V347 HydrophobicContact CB-CG2 4.31Å; D119-N348 HydrophobicContact CB-CB 4.06Å; D119-N348 PolarHBondContact OD2-ND2 3.1Å
120	V	98.8	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-45.6	166.9	172.5	0	0	0	0	111	V116 R117 K122 Y123 I124 I137 L139 Y311 L343 V347	V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.42Å; V116-V120 PolarHBondContact O-N 3.08Å; R117-V120 PolarHBondContact O-N 3.36Å; V120-K122 VanDerWaalsContact C-N 3.32Å; V120-K122 PolarHBondContact O-N 3.37Å; V120-Y123 WeakPolarHBondContact O-CB 3.49Å; V120-Y123 PolarHBondContact O-N 2.75Å; V120-Y123 VanDerWaalsContact O-N 3.17Å; V120-I124 HydrophobicContact CG1-CD1 3.84Å; V120-I124 HydrophobicContact CG1-CG1 4.39Å; V120-I124 WeakPolarHBondContact O-CG1 3.35Å; V120-I124 PolarHBondContact O-N 2.92Å; V120-I137 HydrophobicContact CB-CD1 4.37Å; V120-I137 HydrophobicContact CB-CG2 4.27Å; V120-I137 HydrophobicContact CG1-CD1 3.85Å; V120-I137 HydrophobicContact CG1-CG1 4.47Å; V120-I137 HydrophobicContact CG1-CG2 3.88Å; V120-L139 HydrophobicContact CG2-CD2 4.26Å; V120-Y311 HydrophobicContact CB-CD1 4.41Å; V120-Y311 HydrophobicContact CG1-CD1 3.59Å; V120-Y311 HydrophobicContact CG1-CD2 3.71Å; V120-Y311 HydrophobicContact CG1-CE1 3.68Å; V120-Y311 HydrophobicContact CG1-CE2 3.84Å; V120-Y311 HydrophobicContact CG1-CG 3.61Å; V120-Y311 HydrophobicContact CG2-CD1 3.8Å; V120-Y311 HydrophobicContact CG2-CE1 4.29Å; V120-Y311 HydrophobicContact CG2-CG 4.25Å; V120-L343 HydrophobicContact CG2-CD2 4.28Å; V120-V347 HydrophobicContact CG2-CB 4.49Å; V120-V347 HydrophobicContact CG2-CG1 4.24Å; V120-V347 HydrophobicContact CG2-CG2 3.95Å
121	S	98.8	Very high	98.4	Very high	13 Å²	13	45.4 Å²	45.4	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-43.3	177.6	-172.6	0	0	0	0	111.9	R117 R118 D119 H125 S132 W134	R117-S121 WeakPolarHBondContact O-CB 3.37Å; R117-S121 PolarHBondContact O-N 3.32Å; R118-S121 VanDerWaalsContact O-CB 3.31Å; R118-S121 WeakPolarHBondContact O-CB 3.44Å; R118-S121 PolarHBondContact O-N 2.76Å; D119-S121 VanDerWaalsContact C-N 3.34Å; D119-S121 PolarHBondContact O-N 2.82Å; S121-H125 WeakPolarHBondContact O-CB 3.08Å; S121-H125 PolarHBondContact O-N 3.05Å; S121-S132 WeakPolarHBondContact O-CB 3.26Å; S121-S132 VanDerWaalsContact OG-C 3.24Å; S121-S132 PolarHBondContact OG-O 3.01Å; S121-W134 PolarHBondContact OG-N 3.47Å
122	K	98.7	Very high	98.4	Very high	106 Å²	106	45.8 Å²	45.8	46%	0.461	23%	0.229	S	C	.	.	H	α-helix	trans	-65.4	-41.9	174.6	-67.2	169.1	-163.1	158	0	111.8	R118 D119 V120 H125 Q126	R118-K122 WeakPolarHBondContact O-CG 3.42Å; R118-K122 PolarHBondContact O-N 3.39Å; D119-K122 PolarHBondContact O-N 2.87Å; D119-K122 IonicContact OD1-NZ 2.92Å; D119-K122 PolarHBondContact OD1-NZ 2.84Å; V120-K122 VanDerWaalsContact C-N 3.32Å; V120-K122 PolarHBondContact O-N 3.37Å; K122-H125 PolarHBondContact O-N 2.85Å; K122-Q126 WeakPolarHBondContact O-CB 3.21Å; K122-Q126 VanDerWaalsContact O-CG 3.29Å; K122-Q126 WeakPolarHBondContact O-CG 3.47Å; K122-Q126 PolarHBondContact O-N 3.19Å
123	Y	98.5	Very high	98.4	Very high	27 Å²	27	48.6 Å²	48.6	11%	0.106	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-47	177	173.1	-98.9	0	0	0	112	D119 V120 H125 Q126 R127 Q261 M295 V347	D119-Y123 WeakPolarHBondContact O-CB 3.23Å; D119-Y123 PolarHBondContact O-N 3.37Å; V120-Y123 WeakPolarHBondContact O-CB 3.49Å; V120-Y123 PolarHBondContact O-N 2.75Å; V120-Y123 VanDerWaalsContact O-N 3.17Å; Y123-H125 VanDerWaalsContact C-N 3.35Å; Y123-Q126 PolarHBondContact O-N 2.77Å; Y123-R127 WeakPolarHBondContact O-CB 3.35Å; Y123-R127 PolarHBondContact O-N 2.72Å; Y123-Q261 PolarHBondContact OH-NE2 3.15Å; Y123-M295 HydrophobicContact CE1-CE 4.43Å; Y123-V347 WeakPolarHBondContact CB-O 3.49Å; Y123-V347 HydrophobicContact CD1-CB 4.34Å; Y123-V347 HydrophobicContact CD1-CG1 4.16Å; Y123-V347 HydrophobicContact CD2-CB 4.08Å; Y123-V347 HydrophobicContact CD2-CG1 4.49Å; Y123-V347 WeakPolarHBondContact CD2-O 3.23Å; Y123-V347 HydrophobicContact CG-CB 3.79Å; Y123-V347 HydrophobicContact CG-CG1 4.11Å
124	I	98.6	Very high	98.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-44.5	176.9	-66.7	169.7	0	0	0	110.3	V120 Q126 R127 D128 I137 K275 Y311 E313	V120-I124 HydrophobicContact CG1-CD1 3.84Å; V120-I124 HydrophobicContact CG1-CG1 4.39Å; V120-I124 WeakPolarHBondContact O-CG1 3.35Å; V120-I124 PolarHBondContact O-N 2.92Å; I124-Q126 PolarHBondContact O-N 2.98Å; I124-R127 PolarHBondContact O-N 3.36Å; I124-D128 WeakPolarHBondContact O-CB 3.29Å; I124-D128 PolarHBondContact O-N 2.91Å; I124-I137 HydrophobicContact CD1-CD1 4.09Å; I124-K275 HydrophobicContact CG2-CD 3.89Å; I124-Y311 HydrophobicContact CD1-CE2 3.81Å; I124-Y311 HydrophobicContact CG1-CE2 4.41Å; I124-E313 HydrophobicContact CD1-CB 4Å; I124-E313 HydrophobicContact CD1-CG 4.29Å
125	H	98.6	Very high	98.4	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.407	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-44.2	176.6	176.7	67.1	0	0	0	112.7	S121 K122 Y123 G129 I130	S121-H125 WeakPolarHBondContact O-CB 3.08Å; S121-H125 PolarHBondContact O-N 3.05Å; K122-H125 PolarHBondContact O-N 2.85Å; Y123-H125 VanDerWaalsContact C-N 3.35Å; H125-G129 VanDerWaalsContact O-CA 3.28Å; H125-G129 WeakPolarHBondContact O-CA 3.48Å; H125-G129 PolarHBondContact O-N 3.12Å; H125-I130 VanDerWaalsContact CA-O 3.29Å; H125-I130 WeakPolarHBondContact CA-O 3.46Å; H125-I130 PolarHBondContact ND1-O 3.38Å; H125-I130 VanDerWaalsContact ND1-O 3.11Å
126	Q	98	Very high	98.4	Very high	135 Å²	135	50.9 Å²	50.9	63%	0.631	25%	0.251	S	S	*	.	H	α-helix	trans	-66.4	-38.2	177.2	-71.6	170.8	3.8	0	0	112.7	K122 Y123 I124	K122-Q126 WeakPolarHBondContact O-CB 3.21Å; K122-Q126 VanDerWaalsContact O-CG 3.29Å; K122-Q126 WeakPolarHBondContact O-CG 3.47Å; K122-Q126 PolarHBondContact O-N 3.19Å; Y123-Q126 PolarHBondContact O-N 2.77Å; I124-Q126 PolarHBondContact O-N 2.98Å
127	R	97.4	Very high	98.4	Very high	43 Å²	43	50.9 Å²	50.9	16%	0.162	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-45.2	178	-174.5	-169.8	71	-175.2	-4.7	111.9	Y123 I124 E257 Q260 W271 S273	Y123-R127 WeakPolarHBondContact O-CB 3.35Å; Y123-R127 PolarHBondContact O-N 2.72Å; I124-R127 PolarHBondContact O-N 3.36Å; R127-E257 IonicContact NH1-OE2 2.76Å; R127-Q260 VanDerWaalsContact CD-OE1 3.26Å; R127-W271 HydrophobicContact CG-CZ3 4.42Å; R127-S273 VanDerWaalsContact NH2-CB 3.31Å
128	D	98.1	Very high	98.3	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.064	25%	0.248	C	C	.	.	H	α-helix	trans	-104.3	-21.3	-166.6	-62.3	-25.8	0	0	0	114.1	I124 I130 S273 K276	I124-D128 WeakPolarHBondContact O-CB 3.29Å; I124-D128 PolarHBondContact O-N 2.91Å; D128-I130 VanDerWaalsContact C-N 3.27Å; D128-I130 HydrophobicContact CB-CB 4.33Å; D128-I130 HydrophobicContact CB-CD1 4.11Å; D128-I130 HydrophobicContact CB-CG1 4.38Å; D128-S273 PolarHBondContact OD1-OG 3.43Å; D128-S273 PolarHBondContact OD2-OG 3.15Å; D128-S273 VanDerWaalsContact OD2-OG 3.11Å; D128-K276 HydrophobicContact CB-CB 4.29Å
129	G	98.1	Very high	98.3	Very high	61 Å²	61	45.6 Å²	45.6	63%	0.629	23%	0.231	S	C	*	.	S	Bend	trans	73.4	17.1	-170.2	0	0	0	0	0	113.7	H125	H125-G129 VanDerWaalsContact O-CA 3.28Å; H125-G129 WeakPolarHBondContact O-CA 3.48Å; H125-G129 PolarHBondContact O-N 3.12Å
130	I	98.1	Very high	98.3	Very high	21 Å²	21	45 Å²	45	11%	0.108	23%	0.228	C	C	.	.	S	Bend	trans	-121.8	139.5	-174.4	-61.8	159.7	0	0	0	108.7	H125 D128 K275 K276 F279	H125-I130 VanDerWaalsContact CA-O 3.29Å; H125-I130 WeakPolarHBondContact CA-O 3.46Å; H125-I130 PolarHBondContact ND1-O 3.38Å; H125-I130 VanDerWaalsContact ND1-O 3.11Å; D128-I130 VanDerWaalsContact C-N 3.27Å; D128-I130 HydrophobicContact CB-CB 4.33Å; D128-I130 HydrophobicContact CB-CD1 4.11Å; D128-I130 HydrophobicContact CB-CG1 4.38Å; I130-K275 HydrophobicContact CD1-CG 4.32Å; I130-K276 HydrophobicContact CD1-CB 4.47Å; I130-F279 HydrophobicContact CD1-CB 3.43Å; I130-F279 VanDerWaalsContact CD1-CB 3.43Å; I130-F279 HydrophobicContact CD1-CD1 4.41Å; I130-F279 HydrophobicContact CD1-CD2 3.99Å; I130-F279 HydrophobicContact CD1-CG 3.7Å; I130-F279 HydrophobicContact CG1-CB 4.16Å; I130-F279 HydrophobicContact CG1-CD1 4.48Å; I130-F279 HydrophobicContact CG1-CG 4.24Å; I130-F279 HydrophobicContact CG2-CD1 3.67Å; I130-F279 HydrophobicContact CG2-CD2 4.03Å; I130-F279 HydrophobicContact CG2-CE1 3.64Å; I130-F279 HydrophobicContact CG2-CE2 3.99Å; I130-F279 HydrophobicContact CG2-CG 3.87Å; I130-F279 HydrophobicContact CG2-CZ 3.8Å
131	E	97.3	Very high	98.2	Very high	170 Å²	170	46.6 Å²	46.6	79%	0.794	24%	0.239	S	C	*	.			trans	-58.1	143.6	176.4	-66.4	-166.6	156.5	0	0	111.9	K275	E131-K275 WeakPolarHBondContact O-CE 3.44Å; E131-K275 PolarHBondContact O-NZ 3.21Å
132	S	98.3	Very high	98.1	Very high	20 Å²	20	46 Å²	46	14%	0.14	24%	0.235	C	C	.	.			trans	-127.1	139.5	174.4	179.7	0	0	0	0	107.1	S121 E313	S121-S132 WeakPolarHBondContact O-CB 3.26Å; S121-S132 VanDerWaalsContact OG-C 3.24Å; S121-S132 PolarHBondContact OG-O 3.01Å; S132-E313 VanDerWaalsContact CB-OE1 3.3Å; S132-E313 WeakPolarHBondContact CB-OE1 3.41Å; S132-E313 PolarHBondContact OG-OE1 2.93Å
133	N	98.3	Very high	98.1	Very high	58 Å²	58	41.4 Å²	41.4	31%	0.31	22%	0.217	S	C	.	.			trans	-102.8	116.6	173.5	-173.7	-1.1	0	0	0	109.1	E135 N136	N133-E135 PolarHBondContact ND2-OE2 3.34Å; N133-E135 PolarHBondContact O-N 3.12Å; N133-E135 VanDerWaalsContact O-N 3.11Å; N133-E135 WeakPolarHBondContact OD1-CB 3.49Å; N133-E135 PolarHBondContact OD1-N 3.28Å; N133-N136 PolarHBondContact O-N 2.82Å
134	W	98.5	Very high	98	Very high	47 Å²	47	42.4 Å²	42.4	18%	0.178	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-56.5	-23.3	174.5	71.1	-82.4	0	0	0	113.4	E114 R117 R118 S121 N136 I137	E114-W134 HydrophobicContact CG-CE3 3.93Å; E114-W134 HydrophobicContact CG-CH2 4.09Å; E114-W134 HydrophobicContact CG-CZ3 3.6Å; R117-W134 HydrophobicContact CB-CB 4.42Å; R117-W134 HydrophobicContact CB-CE3 4.47Å; R117-W134 PolarHBondContact NE-O 2.97Å; R117-W134 VanDerWaalsContact NE-O 3.16Å; R117-W134 VanDerWaalsContact NH2-CZ3 3.25Å; R117-W134 PolarHBondContact NH2-O 3.22Å; R118-W134 HydrophobicContact CG-CB 3.99Å; R118-W134 HydrophobicContact CG-CD2 3.95Å; R118-W134 HydrophobicContact CG-CE3 4.39Å; R118-W134 HydrophobicContact CG-CG 3.71Å; S121-W134 PolarHBondContact OG-N 3.47Å; W134-N136 PolarHBondContact O-N 2.57Å; W134-I137 PolarHBondContact O-N 3.16Å
135	E	98.1	Very high	98	Very high	101 Å²	101	44.5 Å²	44.5	47%	0.472	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-67.3	-23.6	173.4	-64.1	-178.4	126.1	0	0	113.6	R117 N133 I137 Y326	R117-E135 VanDerWaalsContact NH2-CA 3.33Å; N133-E135 PolarHBondContact ND2-OE2 3.34Å; N133-E135 PolarHBondContact O-N 3.12Å; N133-E135 VanDerWaalsContact O-N 3.11Å; N133-E135 WeakPolarHBondContact OD1-CB 3.49Å; N133-E135 PolarHBondContact OD1-N 3.28Å; E135-I137 VanDerWaalsContact C-N 3.34Å; E135-Y326 PolarHBondContact O-OH 3.05Å
136	N	98.3	Very high	97.9	Very high	41 Å²	41	40.3 Å²	40.3	22%	0.219	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-94.8	7.5	176.8	-63.2	-17.5	0	0	0	112.9	N133 W134 L314 Q322 Y326	N133-N136 PolarHBondContact O-N 2.82Å; W134-N136 PolarHBondContact O-N 2.57Å; N136-L314 VanDerWaalsContact CB-O 3.32Å; N136-L314 WeakPolarHBondContact CB-O 3.4Å; N136-L314 PolarHBondContact O-N 3.02Å; N136-Q322 PolarHBondContact OD1-NE2 3.33Å; N136-Y326 WeakPolarHBondContact CA-OH 3.25Å
137	I	98.8	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128	179.9	-67.1	161.8	0	0	0	109.3	R117 V120 I124 W134 E135 L139 C312 E313	R117-I137 HydrophobicContact CB-CG2 4.49Å; R117-I137 HydrophobicContact CG-CG2 4.32Å; R117-I137 PolarHBondContact NE-O 3.16Å; V120-I137 HydrophobicContact CB-CD1 4.37Å; V120-I137 HydrophobicContact CB-CG2 4.27Å; V120-I137 HydrophobicContact CG1-CD1 3.85Å; V120-I137 HydrophobicContact CG1-CG1 4.47Å; V120-I137 HydrophobicContact CG1-CG2 3.88Å; I124-I137 HydrophobicContact CD1-CD1 4.09Å; W134-I137 PolarHBondContact O-N 3.16Å; E135-I137 VanDerWaalsContact C-N 3.34Å; I137-L139 HydrophobicContact CG2-CD2 4.42Å; I137-C312 WeakPolarHBondContact CA-O 3.34Å; I137-E313 HydrophobicContact CG1-CB 4.06Å; I137-E313 HydrophobicContact CG1-CG 4.06Å
138	F	98.7	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.3	167.3	70.1	-90.7	0	0	0	111	L111 A140 A146 Y311 C312 L314 L325 Y326 L329	L111-F138 HydrophobicContact CB-CB 4.14Å; L111-F138 HydrophobicContact CD2-CB 3.94Å; F138-A140 HydrophobicContact CE2-CB 4.38Å; F138-A146 HydrophobicContact CE2-CB 3.79Å; F138-A146 HydrophobicContact CZ-CB 3.96Å; F138-Y311 VanDerWaalsContact O-CA 3.32Å; F138-Y311 WeakPolarHBondContact O-CA 3.46Å; F138-C312 HydrophobicContact CD1-CB 4.08Å; F138-C312 HydrophobicContact CE1-CB 3.48Å; F138-C312 VanDerWaalsContact CE1-CB 3.48Å; F138-C312 HydrophobicContact CE2-CB 3.96Å; F138-C312 HydrophobicContact CZ-CB 3.41Å; F138-C312 VanDerWaalsContact CZ-CB 3.41Å; F138-C312 PolarHBondContact N-O 2.92Å; F138-C312 VanDerWaalsContact N-O 3.13Å; F138-C312 PolarHBondContact O-N 3.46Å; F138-L314 HydrophobicContact CD1-CD1 4.33Å; F138-L314 HydrophobicContact CE1-CD1 4.18Å; F138-L314 HydrophobicContact CE1-CD2 4.27Å; F138-L314 HydrophobicContact CE1-CG 4.28Å; F138-L325 HydrophobicContact CE1-CD2 4.09Å; F138-Y326 HydrophobicContact CB-CE1 4.36Å; F138-Y326 HydrophobicContact CD1-CE1 4Å; F138-L329 HydrophobicContact CB-CD1 4.03Å; F138-L329 HydrophobicContact CD1-CD1 4.17Å; F138-L329 HydrophobicContact CD2-CD1 3.59Å; F138-L329 HydrophobicContact CD2-CD2 4.25Å; F138-L329 HydrophobicContact CE2-CD1 4.02Å; F138-L329 HydrophobicContact CE2-CD2 4.28Å; F138-L329 HydrophobicContact CG-CD1 3.67Å; F138-L329 HydrophobicContact CZ-CD1 4.45Å
139	L	98.7	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	150.4	175.6	-51.3	-172.8	0	0	0	110.2	L111 V116 R117 V120 I137 G310 R332 P335 Q340 L343	L111-L139 PolarHBondContact O-N 3.19Å; V116-L139 HydrophobicContact CB-CD1 3.83Å; V116-L139 HydrophobicContact CG1-CD1 3.59Å; V116-L139 HydrophobicContact CG1-CD2 4.38Å; R117-L139 HydrophobicContact CG-CD1 4.35Å; R117-L139 HydrophobicContact CG-CD2 4.12Å; R117-L139 HydrophobicContact CG-CG 3.94Å; V120-L139 HydrophobicContact CG2-CD2 4.26Å; I137-L139 HydrophobicContact CG2-CD2 4.42Å; L139-G310 CarbonylContact C-O 3.58Å; L139-G310 WeakPolarHBondContact CA-O 3.45Å; L139-R332 PolarHBondContact O-NH2 3.44Å; L139-P335 HydrophobicContact CB-CG 3.84Å; L139-P335 WeakPolarHBondContact O-CG 3.17Å; L139-Q340 HydrophobicContact CB-CG 4.42Å; L139-Q340 HydrophobicContact CD1-CB 4.11Å; L139-Q340 HydrophobicContact CD1-CG 3.68Å; L139-L343 HydrophobicContact CD2-CD2 3.76Å
140	A	98.1	Very high	98	Very high	2 Å²	2	32 Å²	32	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.5	-172.7	0	0	0	0	0	112.4	F138 G142 E145 A146 G310	F138-A140 HydrophobicContact CE2-CB 4.38Å; A140-G142 WeakPolarHBondContact CB-O 3.36Å; A140-G142 PolarHBondContact O-N 3.5Å; A140-E145 WeakPolarHBondContact CA-OE2 3.23Å; A140-E145 HydrophobicContact CB-CB 4.29Å; A140-E145 WeakPolarHBondContact CB-OE2 3.37Å; A140-A146 HydrophobicContact CB-CB 3.95Å; A140-G310 PolarHBondContact N-O 2.98Å; A140-G310 PolarHBondContact O-N 3.09Å; A140-G310 VanDerWaalsContact O-N 3.13Å
141	C	97.4	Very high	98	Very high	33 Å²	33	31 Å²	31	22%	0.223	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	70.4	173.2	-173.5	0	0	0	0	110.4	E145 R308 P336	C141-E145 HydrophobicContact CB-CB 4Å; C141-E145 PolarHBondContact N-OE2 3.49Å; C141-R308 CarbonylContact C-O 3.57Å; C141-R308 VanDerWaalsContact CA-O 3.29Å; C141-R308 WeakPolarHBondContact CA-O 3.48Å; C141-R308 PolarHBondContact O-NH2 3.14Å; C141-R308 VanDerWaalsContact SG-CB 3.59Å; C141-P336 HydrophobicContact CB-CG 4.33Å
142	G	96.7	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	65.8	-178.5	-162.7	0	0	0	0	0	112.3	A140 T144 R308	A140-G142 WeakPolarHBondContact CB-O 3.36Å; A140-G142 PolarHBondContact O-N 3.5Å; G142-T144 PolarHBondContact O-N 2.89Å; G142-R308 VanDerWaalsContact N-C 3.32Å; G142-R308 PolarHBondContact N-O 2.71Å
143	A	97.2	Very high	98	Very high	10 Å²	10	28.6 Å²	28.6	8%	0.083	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-25.5	176.2	0	0	0	0	0	112.6	E145 A146 V147 V258	A143-E145 PolarHBondContact O-N 3.36Å; A143-A146 PolarHBondContact O-N 2.63Å; A143-V147 WeakPolarHBondContact O-CG2 3.39Å; A143-V147 PolarHBondContact O-N 3.42Å; A143-V258 HydrophobicContact CB-CG1 3.6Å
144	T	97.1	Very high	97.9	Very high	48 Å²	48	26.4 Å²	26.4	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-53.7	-47.8	-178.8	-56.2	0	0	0	0	113.1	G142 V147 K148 L175 R308	G142-T144 PolarHBondContact O-N 2.89Å; T144-V147 PolarHBondContact O-N 3.17Å; T144-K148 WeakPolarHBondContact O-CG 3.36Å; T144-K148 PolarHBondContact O-N 3.36Å; T144-L175 HydrophobicContact CG2-CD1 3.8Å; T144-L175 HydrophobicContact CG2-CD2 4.28Å; T144-R308 PolarHBondContact OG1-NH2 3.32Å
145	E	97.5	Very high	97.8	Very high	43 Å²	43	26 Å²	26	20%	0.201	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-38.5	-178.5	-180	-168.7	-121	0	0	111.6	A140 C141 A143 V147 K148 M149 R332	A140-E145 WeakPolarHBondContact CA-OE2 3.23Å; A140-E145 HydrophobicContact CB-CB 4.29Å; A140-E145 WeakPolarHBondContact CB-OE2 3.37Å; C141-E145 HydrophobicContact CB-CB 4Å; C141-E145 PolarHBondContact N-OE2 3.49Å; A143-E145 PolarHBondContact O-N 3.36Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 2.89Å; E145-K148 PolarHBondContact O-N 3.1Å; E145-M149 HydrophobicContact CG-CG 4.45Å; E145-M149 VanDerWaalsContact O-CG 3.3Å; E145-M149 WeakPolarHBondContact O-CG 3.44Å; E145-M149 PolarHBondContact O-N 3.16Å; E145-R332 WeakPolarHBondContact OE1-CD 3.32Å; E145-R332 IonicContact OE1-CZ 3.26Å; E145-R332 IonicContact OE1-NE 3.64Å; E145-R332 IonicContact OE1-NH1 2.65Å; E145-R332 PolarHBondContact OE1-NH1 3.38Å; E145-R332 IonicContact OE2-CZ 2.99Å; E145-R332 VanDerWaalsContact OE2-CZ 3.26Å; E145-R332 IonicContact OE2-NH1 3.71Å; E145-R332 PolarHBondContact OE2-NH1 3.23Å; E145-R332 IonicContact OE2-NH2 3.81Å
146	A	98.3	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-43.2	174.5	0	0	0	0	0	111.7	F138 A140 A143 K148 M149 L150 L294 C312	F138-A146 HydrophobicContact CE2-CB 3.79Å; F138-A146 HydrophobicContact CZ-CB 3.96Å; A140-A146 HydrophobicContact CB-CB 3.95Å; A143-A146 PolarHBondContact O-N 2.63Å; A146-K148 PolarHBondContact O-N 2.65Å; A146-M149 PolarHBondContact O-N 2.82Å; A146-L150 VanDerWaalsContact O-CG 3.27Å; A146-L150 WeakPolarHBondContact O-CG 3.34Å; A146-L150 PolarHBondContact O-N 2.83Å; A146-L294 HydrophobicContact CB-CD2 3.44Å; A146-L294 VanDerWaalsContact CB-CD2 3.44Å; A146-C312 HydrophobicContact CB-CB 3.95Å
147	V	98.4	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.4	-48.9	172.5	169.5	0	0	0	0	111.1	A143 T144 E145 M149 L150 L151 L175 Y176 L294	A143-V147 WeakPolarHBondContact O-CG2 3.39Å; A143-V147 PolarHBondContact O-N 3.42Å; T144-V147 PolarHBondContact O-N 3.17Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 2.89Å; V147-M149 PolarHBondContact O-N 2.73Å; V147-L150 PolarHBondContact O-N 2.97Å; V147-L151 HydrophobicContact CG1-CD1 3.86Å; V147-L151 HydrophobicContact CG1-CG 4.33Å; V147-L151 WeakPolarHBondContact O-CB 3.41Å; V147-L151 WeakPolarHBondContact O-CG 3.32Å; V147-L151 PolarHBondContact O-N 2.77Å; V147-L175 HydrophobicContact CB-CD2 4.16Å; V147-L175 HydrophobicContact CG1-CD2 4.09Å; V147-L175 HydrophobicContact CG1-CG 4.21Å; V147-L175 HydrophobicContact CG2-CD2 4.2Å; V147-Y176 HydrophobicContact CB-CE1 4.32Å; V147-Y176 HydrophobicContact CG1-CD1 3.77Å; V147-Y176 HydrophobicContact CG1-CE1 3.44Å; V147-Y176 VanDerWaalsContact CG1-CE1 3.44Å; V147-Y176 HydrophobicContact CG2-CE1 3.86Å; V147-Y176 WeakPolarHBondContact CG2-OH 3.31Å; V147-L294 HydrophobicContact CG2-CD1 3.5Å; V147-L294 VanDerWaalsContact CG2-CD1 3.5Å
148	K	97.8	Very high	96.8	Very high	54 Å²	54	28.5 Å²	28.5	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-47	179.5	-70.8	-166.9	72.8	168.2	0	111.8	T144 E145 A146 L150 L151 E152 T179 E182 Y183	T144-K148 WeakPolarHBondContact O-CG 3.36Å; T144-K148 PolarHBondContact O-N 3.36Å; E145-K148 PolarHBondContact O-N 3.1Å; A146-K148 PolarHBondContact O-N 2.65Å; K148-L150 PolarHBondContact O-N 2.86Å; K148-L151 PolarHBondContact O-N 2.63Å; K148-E152 VanDerWaalsContact O-CB 3.29Å; K148-E152 WeakPolarHBondContact O-CB 3.28Å; K148-E152 PolarHBondContact O-N 3Å; K148-T179 HydrophobicContact CB-CG2 4.4Å; K148-T179 HydrophobicContact CG-CG2 3.93Å; K148-E182 WeakPolarHBondContact CE-OE2 3.37Å; K148-E182 IonicContact NZ-OE1 3.32Å; K148-E182 PolarHBondContact NZ-OE1 3.29Å; K148-E182 IonicContact NZ-OE2 3.51Å; K148-E182 PolarHBondContact NZ-OE2 3.02Å; K148-Y183 HydrophobicContact CB-CE2 4.06Å; K148-Y183 WeakPolarHBondContact CE-OH 3.33Å; K148-Y183 HydrophobicContact CG-CE2 4.49Å; K148-Y183 VanDerWaalsContact O-CE2 3.24Å; K148-Y183 WeakPolarHBondContact O-CE2 3.37Å
149	M	97.8	Very high	96.5	Very high	24 Å²	24	37.9 Å²	37.9	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-39.2	180	-67.2	-60.3	-51.7	0	0	113	E145 A146 V147 M153 L325 A328 L329	E145-M149 HydrophobicContact CG-CG 4.45Å; E145-M149 VanDerWaalsContact O-CG 3.3Å; E145-M149 WeakPolarHBondContact O-CG 3.44Å; E145-M149 PolarHBondContact O-N 3.16Å; A146-M149 PolarHBondContact O-N 2.82Å; V147-M149 PolarHBondContact O-N 2.73Å; M149-M153 VanDerWaalsContact O-CB 3.3Å; M149-M153 WeakPolarHBondContact O-CB 3.19Å; M149-M153 PolarHBondContact O-N 3.28Å; M149-L325 HydrophobicContact CB-CD1 3.96Å; M149-L325 HydrophobicContact CE-CD1 4.11Å; M149-A328 HydrophobicContact CE-CB 3.59Å; M149-L329 HydrophobicContact CE-CD2 4.18Å; M149-L329 HydrophobicContact CE-CG 4.17Å; M149-L329 HydrophobicContact CG-CD2 3.75Å; M149-L329 HydrophobicContact SD-CD2 4.28Å
150	L	98.5	Very high	96.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-44.4	176	-69.6	167.2	0	0	0	111.6	A146 V147 K148 M153 I154 I254 A292 L294 L314	A146-L150 VanDerWaalsContact O-CG 3.27Å; A146-L150 WeakPolarHBondContact O-CG 3.34Å; A146-L150 PolarHBondContact O-N 2.83Å; V147-L150 PolarHBondContact O-N 2.97Å; K148-L150 PolarHBondContact O-N 2.86Å; L150-M153 HydrophobicContact CD2-CE 4.4Å; L150-M153 PolarHBondContact O-N 2.85Å; L150-I154 PolarHBondContact O-N 3.41Å; L150-I254 HydrophobicContact CB-CD1 4.16Å; L150-I254 HydrophobicContact CD1-CG2 4.24Å; L150-A292 HydrophobicContact CD1-CB 3.6Å; L150-A292 HydrophobicContact CD2-CB 3.89Å; L150-A292 HydrophobicContact CG-CB 4.42Å; L150-L294 HydrophobicContact CD1-CD2 4.1Å; L150-L314 HydrophobicContact CD2-CD2 4.05Å
151	L	98.5	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71	-30.9	179.7	-67.7	-176.2	0	0	0	112.8	V147 K148 I154 S155 V166 Y176 T179 Y183 N185 I254	V147-L151 HydrophobicContact CG1-CD1 3.86Å; V147-L151 HydrophobicContact CG1-CG 4.33Å; V147-L151 WeakPolarHBondContact O-CB 3.41Å; V147-L151 WeakPolarHBondContact O-CG 3.32Å; V147-L151 PolarHBondContact O-N 2.77Å; K148-L151 PolarHBondContact O-N 2.63Å; L151-I154 HydrophobicContact CD2-CD1 3.84Å; L151-I154 WeakPolarHBondContact O-CG1 3.24Å; L151-S155 PolarHBondContact O-N 3.22Å; L151-V166 HydrophobicContact CD2-CG1 3.84Å; L151-V166 HydrophobicContact CD2-CG2 4.12Å; L151-Y176 HydrophobicContact CD1-CD1 4.15Å; L151-T179 HydrophobicContact CB-CG2 3.93Å; L151-T179 HydrophobicContact CD1-CG2 3.54Å; L151-T179 HydrophobicContact CG-CG2 4.34Å; L151-Y183 HydrophobicContact CB-CD2 4.24Å; L151-N185 PolarHBondContact O-ND2 3.44Å; L151-I254 HydrophobicContact CD2-CD1 3.85Å
152	E	97.3	Very high	96	Very high	85 Å²	85	50.8 Å²	50.8	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-44.7	170.8	-172	170.5	171.1	0	0	111.1	K148 I154 S155 Y183	K148-E152 VanDerWaalsContact O-CB 3.29Å; K148-E152 WeakPolarHBondContact O-CB 3.28Å; K148-E152 PolarHBondContact O-N 3Å; E152-I154 VanDerWaalsContact C-N 3.31Å; E152-I154 PolarHBondContact O-N 2.8Å; E152-S155 VanDerWaalsContact O-CB 3.28Å; E152-S155 WeakPolarHBondContact O-CB 3.49Å; E152-S155 PolarHBondContact O-N 3.23Å; E152-S155 PolarHBondContact O-OG 2.95Å; E152-Y183 HydrophobicContact CB-CD1 4.28Å; E152-Y183 HydrophobicContact CB-CD2 4.11Å; E152-Y183 HydrophobicContact CB-CE1 3.97Å; E152-Y183 HydrophobicContact CB-CE2 3.82Å; E152-Y183 HydrophobicContact CB-CG 4.33Å; E152-Y183 HydrophobicContact CG-CD1 4.18Å; E152-Y183 HydrophobicContact CG-CE1 3.86Å; E152-Y183 WeakPolarHBondContact OE2-CE1 3.26Å; E152-Y183 VanDerWaalsContact OE2-CZ 3.31Å; E152-Y183 PolarHBondContact OE2-OH 3.49Å
153	M	97.3	Very high	96	Very high	53 Å²	53	53.4 Å²	53.4	26%	0.261	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-38.8	179.4	-178.1	-169.2	69.8	0	0	112.8	M149 L150 S155 M252 F317 V321 L325	M149-M153 VanDerWaalsContact O-CB 3.3Å; M149-M153 WeakPolarHBondContact O-CB 3.19Å; M149-M153 PolarHBondContact O-N 3.28Å; L150-M153 HydrophobicContact CD2-CE 4.4Å; L150-M153 PolarHBondContact O-N 2.85Å; M153-S155 VanDerWaalsContact C-N 3.34Å; M153-M252 HydrophobicContact CE-SD 4.09Å; M153-F317 HydrophobicContact CE-CD1 4.31Å; M153-F317 HydrophobicContact CE-CE1 3.69Å; M153-V321 HydrophobicContact CE-CG1 4.46Å; M153-V321 HydrophobicContact CG-CG1 4.41Å; M153-V321 HydrophobicContact SD-CG1 3.72Å; M153-L325 HydrophobicContact SD-CB 3.97Å; M153-L325 HydrophobicContact SD-CD1 4.37Å; M153-L325 HydrophobicContact SD-CD2 4.11Å; M153-L325 HydrophobicContact SD-CG 4.38Å
154	I	97	Very high	96.1	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-80	-18.4	177.4	65.9	179.1	0	0	0	113.3	L150 L151 E152 A164 V166 K219 A220 M252	L150-I154 PolarHBondContact O-N 3.41Å; L151-I154 HydrophobicContact CD2-CD1 3.84Å; L151-I154 WeakPolarHBondContact O-CG1 3.24Å; E152-I154 VanDerWaalsContact C-N 3.31Å; E152-I154 PolarHBondContact O-N 2.8Å; I154-A164 WeakPolarHBondContact O-CB 3.28Å; I154-V166 HydrophobicContact CD1-CG2 3.55Å; I154-K219 HydrophobicContact CB-CB 4.35Å; I154-K219 HydrophobicContact CB-CD 4.08Å; I154-K219 WeakPolarHBondContact O-CD 3.37Å; I154-K219 PolarHBondContact O-NZ 3.27Å; I154-A220 HydrophobicContact CD1-CB 3.61Å; I154-M252 HydrophobicContact CD1-CE 4.42Å; I154-M252 HydrophobicContact CG2-CE 3.51Å; I154-M252 HydrophobicContact CG2-SD 4.36Å
155	S	97.2	Very high	96.1	Very high	38 Å²	38	50.6 Å²	50.6	27%	0.266	26%	0.257	S	S	.	.			trans	-57.9	154.9	-175.9	76.4	0	0	0	0	111.8	L151 E152 M153 N185	L151-S155 PolarHBondContact O-N 3.22Å; E152-S155 VanDerWaalsContact O-CB 3.28Å; E152-S155 WeakPolarHBondContact O-CB 3.49Å; E152-S155 PolarHBondContact O-N 3.23Å; E152-S155 PolarHBondContact O-OG 2.95Å; M153-S155 VanDerWaalsContact C-N 3.34Å; S155-N185 VanDerWaalsContact CA-OD1 3.28Å; S155-N185 WeakPolarHBondContact CA-OD1 3.32Å; S155-N185 WeakPolarHBondContact CB-OD1 3.34Å
156	T	93.7	Very high	96.2	Very high	33 Å²	33	48.6 Å²	48.6	20%	0.202	25%	0.247	C	C	.	.			trans	-122	153.4	175.1	58.4	0	0	0	0	108.9	G158 E162 R163 A164	T156-G158 PolarHBondContact O-N 2.66Å; T156-E162 WeakPolarHBondContact CB-O 3.5Å; T156-E162 PolarHBondContact OG1-O 3.05Å; T156-R163 WeakPolarHBondContact OG1-CA 3.31Å; T156-A164 HydrophobicContact CG2-CB 4.26Å; T156-A164 PolarHBondContact OG1-N 2.79Å; T156-A164 VanDerWaalsContact OG1-N 3.17Å
157	T	90.5	Very high	96.2	Very high	154 Å²	154	48.6 Å²	48.6	95%	0.945	25%	0.247	S	C	*	.	S	Bend	trans	-79.2	-2.4	170.4	52.7	0	0	0	0	112.7
158	G	89.7	Confident	96.2	Very high	8 Å²	8	48.6 Å²	48.6	8%	0.082	25%	0.247	C	C	.	.			trans	-68.6	159.9	-178.7	0	0	0	0	0	113.4	T156 E162 N184	T156-G158 PolarHBondContact O-N 2.66Å; G158-E162 WeakPolarHBondContact CA-OE2 3.35Å; G158-N184 PolarHBondContact O-ND2 2.95Å
159	R	91.4	Very high	96.3	Very high	198 Å²	198	46.3 Å²	46.3	75%	0.747	24%	0.238	S	C	*	.			trans	-108.6	160.1	175.4	-63.5	-176.4	-177	-174.9	1	110.4	S161 E162	R159-S161 PolarHBondContact O-N 2.9Å; R159-S161 VanDerWaalsContact O-N 3.09Å; R159-E162 WeakPolarHBondContact O-CB 3.44Å; R159-E162 PolarHBondContact O-N 3.39Å
160	D	91	Very high	96.3	Very high	126 Å²	126	45.4 Å²	45.4	67%	0.674	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	48.6	-115.7	174.5	-51.9	-48.3	0	0	0	112.2	E162 R163 Q215	D160-E162 PolarHBondContact O-N 3.32Å; D160-E162 VanDerWaalsContact O-N 3.16Å; D160-R163 WeakPolarHBondContact O-CB 2.96Å; D160-R163 WeakPolarHBondContact O-CG 3.32Å; D160-R163 PolarHBondContact O-N 3.18Å; D160-Q215 CarbonylContact C-O 3.58Å
161	S	96.1	Very high	96.3	Very high	65 Å²	65	45.6 Å²	45.6	46%	0.455	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-64.3	-15.6	-179	57.5	0	0	0	0	115.3	R159 G214 Q215 C216	R159-S161 PolarHBondContact O-N 2.9Å; R159-S161 VanDerWaalsContact O-N 3.09Å; S161-G214 VanDerWaalsContact CB-O 3.23Å; S161-G214 WeakPolarHBondContact CB-O 3.43Å; S161-Q215 WeakPolarHBondContact CA-O 3.05Å; S161-C216 CarbonylContact O-C 3.56Å; S161-C216 WeakPolarHBondContact O-CA 3.39Å
162	E	96.8	Very high	96.1	Very high	116 Å²	116	46.5 Å²	46.5	54%	0.542	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-90.3	-4.5	179.6	-59.2	-177	158.1	0	0	113.2	T156 G158 R159 D160	T156-E162 WeakPolarHBondContact CB-O 3.5Å; T156-E162 PolarHBondContact OG1-O 3.05Å; G158-E162 WeakPolarHBondContact CA-OE2 3.35Å; R159-E162 WeakPolarHBondContact O-CB 3.44Å; R159-E162 PolarHBondContact O-N 3.39Å; D160-E162 PolarHBondContact O-N 3.32Å; D160-E162 VanDerWaalsContact O-N 3.16Å
163	R	97.6	Very high	96	Very high	54 Å²	54	44.7 Å²	44.7	20%	0.204	23%	0.229	C	C	.	.	S	Bend	trans	-66.9	142.4	177.2	-68.6	171.1	65.4	-161.6	1.8	111	T156 D160 G165 N184 N185 F186 C216 I217	T156-R163 WeakPolarHBondContact OG1-CA 3.31Å; D160-R163 WeakPolarHBondContact O-CB 2.96Å; D160-R163 WeakPolarHBondContact O-CG 3.32Å; D160-R163 PolarHBondContact O-N 3.18Å; R163-G165 PolarHBondContact O-N 2.8Å; R163-N184 PolarHBondContact NE-O 3.02Å; R163-N184 PolarHBondContact NE-OD1 3.19Å; R163-N185 VanDerWaalsContact NH2-C 3.3Å; R163-N185 PolarHBondContact NH2-O 2.91Å; R163-F186 HydrophobicContact CB-CB 4.04Å; R163-C216 WeakPolarHBondContact O-CB 3.5Å; R163-I217 PolarHBondContact O-N 3.43Å
164	A	98.2	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.9	171.4	0	0	0	0	0	111	I154 T156 N185 F186 K219	I154-A164 WeakPolarHBondContact O-CB 3.28Å; T156-A164 HydrophobicContact CG2-CB 4.26Å; T156-A164 PolarHBondContact OG1-N 2.79Å; T156-A164 VanDerWaalsContact OG1-N 3.17Å; A164-N185 CarbonylContact O-C 3.58Å; A164-N185 WeakPolarHBondContact O-CA 3.5Å; A164-F186 PolarHBondContact O-N 3.31Å; A164-K219 HydrophobicContact CB-CD 4.02Å
165	G	98.3	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.1	177.1	0	0	0	0	0	112.1	R163 F186 I217 K219 A220	R163-G165 PolarHBondContact O-N 2.8Å; G165-F186 CarbonylContact C-O 3.44Å; G165-F186 WeakPolarHBondContact CA-O 3.44Å; G165-I217 PolarHBondContact N-O 2.94Å; G165-K219 PolarHBondContact O-N 3.34Å; G165-A220 PolarHBondContact O-N 3.33Å
166	V	98.8	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	116	179.2	-174.4	0	0	0	0	109.1	L151 I154 I168 N185 F186 I188 A220 V222	L151-V166 HydrophobicContact CD2-CG1 3.84Å; L151-V166 HydrophobicContact CD2-CG2 4.12Å; I154-V166 HydrophobicContact CD1-CG2 3.55Å; V166-I168 HydrophobicContact CG1-CG2 3.83Å; V166-N185 HydrophobicContact CG2-CB 3.94Å; V166-F186 PolarHBondContact N-O 3.28Å; V166-I188 PolarHBondContact O-N 2.86Å; V166-A220 HydrophobicContact CG1-CB 4.47Å; V166-V222 HydrophobicContact CG1-CG2 3.94Å
167	M	98.8	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.9	176.2	-59.1	-179	71.4	0	0	110.3	I188 Y190 L205 A208 L209 A220 I221 V222 F245 L251	M167-I188 CarbonylContact C-O 3.15Å; M167-I188 VanDerWaalsContact CA-O 3.24Å; M167-I188 WeakPolarHBondContact CA-O 3.24Å; M167-I188 HydrophobicContact CB-CB 4.41Å; M167-I188 HydrophobicContact CG-CB 3.85Å; M167-I188 HydrophobicContact CG-CD1 3.93Å; M167-I188 HydrophobicContact CG-CG1 4.46Å; M167-I188 HydrophobicContact CG-CG2 3.94Å; M167-Y190 HydrophobicContact CB-CD1 4.07Å; M167-Y190 HydrophobicContact CB-CE1 4.35Å; M167-L205 HydrophobicContact CE-CD2 4.08Å; M167-A208 HydrophobicContact CE-CB 3.89Å; M167-L209 HydrophobicContact CE-CB 4.38Å; M167-L209 HydrophobicContact SD-CD1 4.21Å; M167-A220 PolarHBondContact N-O 2.98Å; M167-I221 HydrophobicContact CB-CB 4.02Å; M167-I221 HydrophobicContact CB-CD1 4.48Å; M167-I221 HydrophobicContact CB-CG1 3.96Å; M167-V222 PolarHBondContact O-N 3.14Å; M167-F245 HydrophobicContact CE-CE1 3.87Å; M167-F245 HydrophobicContact CE-CZ 3.99Å; M167-F245 HydrophobicContact SD-CE1 3.74Å; M167-F245 HydrophobicContact SD-CZ 4.15Å; M167-L251 HydrophobicContact SD-CD1 3.67Å
168	I	98.6	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.3	179.6	74.4	175.7	0	0	0	111.1	V166 Q172 Q187 I188 Y190 V222	V166-I168 HydrophobicContact CG1-CG2 3.83Å; I168-Q172 HydrophobicContact CD1-CB 4.43Å; I168-Q187 VanDerWaalsContact CD1-CD 3.41Å; I168-Q187 HydrophobicContact CD1-CG 3.77Å; I168-Q187 HydrophobicContact CG1-CG 3.93Å; I168-I188 PolarHBondContact N-O 3.39Å; I168-Y190 VanDerWaalsContact O-CD1 3.3Å; I168-Y190 WeakPolarHBondContact O-CD1 3.45Å; I168-Y190 WeakPolarHBondContact O-CE1 3.29Å; I168-Y190 PolarHBondContact O-N 2.84Å; I168-V222 HydrophobicContact CG2-CB 4.11Å; I168-V222 HydrophobicContact CG2-CG2 3.97Å
169	P	98.4	Very high	96.7	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.039	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	148.8	-176.2	25	-30.2	0	0	0	111.6	P171 Q172 Y190 L192 I224	P169-P171 CarbonylContact O-C 3.48Å; P169-Q172 WeakPolarHBondContact O-CA 3.24Å; P169-Q172 WeakPolarHBondContact O-CB 3.23Å; P169-Q172 PolarHBondContact O-N 3.07Å; P169-Y190 CarbonylContact C-O 3.55Å; P169-Y190 VanDerWaalsContact CA-CE2 3.43Å; P169-Y190 WeakPolarHBondContact CA-O 3.24Å; P169-Y190 HydrophobicContact CB-CD2 4.44Å; P169-Y190 HydrophobicContact CB-CE1 4.41Å; P169-Y190 HydrophobicContact CB-CE2 3.56Å; P169-Y190 WeakPolarHBondContact CB-OH 3.47Å; P169-Y190 VanDerWaalsContact CD-OH 3.26Å; P169-Y190 WeakPolarHBondContact CD-OH 3.25Å; P169-Y190 VanDerWaalsContact N-CZ 3.32Å; P169-L192 HydrophobicContact CB-CD1 4.08Å; P169-L192 HydrophobicContact CB-CD2 4.38Å; P169-L192 HydrophobicContact CB-CG 4.11Å; P169-I224 HydrophobicContact CG-CD1 4.2Å; P169-I224 HydrophobicContact CG-CG1 4.47Å
170	I	98.1	Very high	97	Very high	6 Å²	6	23 Å²	23	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.6	164.9	-58.6	-63.8	0	0	0	108.4	Q172 N189 Y190 Y191 L192 G443	I170-Q172 HydrophobicContact CD1-CB 4.23Å; I170-N189 HydrophobicContact CD1-CB 4.44Å; I170-N189 HydrophobicContact CG1-CB 3.75Å; I170-Y190 PolarHBondContact N-O 3.31Å; I170-Y191 HydrophobicContact CB-CD1 3.78Å; I170-Y191 HydrophobicContact CB-CE1 3.93Å; I170-Y191 HydrophobicContact CB-CG 4.38Å; I170-Y191 HydrophobicContact CG1-CE1 4.48Å; I170-Y191 HydrophobicContact CG2-CD1 3.67Å; I170-Y191 HydrophobicContact CG2-CE1 3.54Å; I170-Y191 WeakPolarHBondContact O-CA 3.45Å; I170-L192 PolarHBondContact O-N 2.75Å; I170-G443 VanDerWaalsContact CG2-C 3.47Å
171	P	98	Very high	97.2	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.019	10%	0.097	C	C	.	.	S	Bend	cis	-66.5	142.4	0.3	29.7	-37.6	0	0	0	113.1	P169 W198 P229 T230 F400 F442 G443	P169-P171 CarbonylContact O-C 3.48Å; P171-W198 HydrophobicContact CG-CE3 4.46Å; P171-W198 HydrophobicContact CG-CZ3 4.18Å; P171-P229 HydrophobicContact CB-CG 3.74Å; P171-P229 HydrophobicContact CG-CG 3.96Å; P171-T230 HydrophobicContact CG-CG2 3.34Å; P171-F400 HydrophobicContact CB-CD1 4.38Å; P171-F400 HydrophobicContact CB-CE1 3.7Å; P171-F400 HydrophobicContact CB-CZ 3.87Å; P171-F400 HydrophobicContact CG-CD1 3.95Å; P171-F400 HydrophobicContact CG-CE1 3.68Å; P171-F400 HydrophobicContact CG-CZ 4.33Å; P171-F442 CarbonylContact C-O 3.39Å; P171-F442 WeakPolarHBondContact CA-O 3.41Å; P171-F442 HydrophobicContact CB-CB 3.87Å; P171-G443 WeakPolarHBondContact CA-O 3.45Å; P171-G443 WeakPolarHBondContact CB-O 3.46Å
172	Q	95.5	Very high	97.2	Very high	20 Å²	20	17.7 Å²	17.7	9%	0.093	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-100.8	158.3	-173.2	79.6	-160.7	-11.1	0	0	112.3	I168 P169 I170 P174 S177 Q187 F442	I168-Q172 HydrophobicContact CD1-CB 4.43Å; P169-Q172 WeakPolarHBondContact O-CA 3.24Å; P169-Q172 WeakPolarHBondContact O-CB 3.23Å; P169-Q172 PolarHBondContact O-N 3.07Å; I170-Q172 HydrophobicContact CD1-CB 4.23Å; Q172-P174 WeakPolarHBondContact O-CD 3.45Å; Q172-S177 VanDerWaalsContact CD-OG 3.25Å; Q172-S177 PolarHBondContact NE2-OG 3.16Å; Q172-Q187 VanDerWaalsContact OE1-NE2 3.14Å; Q172-F442 VanDerWaalsContact CG-O 3.31Å; Q172-F442 WeakPolarHBondContact CG-O 3.21Å; Q172-F442 PolarHBondContact N-O 3.45Å; Q172-F442 VanDerWaalsContact O-CD1 3.23Å; Q172-F442 WeakPolarHBondContact O-CD1 3.39Å
173	Y	95.5	Very high	97.2	Very high	46 Å²	46	14.2 Å²	14.2	18%	0.18	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-81.7	121	154.8	177.7	-134	0	0	0	109.5	Y19 L175 Y176 N228	Y19-Y173 PolarHBondContact OH-OH 3.39Å; Y173-L175 HydrophobicContact CD1-CB 3.57Å; Y173-L175 HydrophobicContact CD1-CD2 4.34Å; Y173-L175 HydrophobicContact CE1-CB 3.3Å; Y173-L175 HydrophobicContact CE1-CD2 3.74Å; Y173-L175 HydrophobicContact CE1-CG 4.17Å; Y173-L175 HydrophobicContact CG-CB 4.38Å; Y173-L175 PolarHBondContact O-N 3.48Å; Y173-Y176 HydrophobicContact CD1-CD2 4.33Å; Y173-Y176 HydrophobicContact CD1-CE2 4.18Å; Y173-Y176 PolarHBondContact O-N 3.1Å; Y173-N228 WeakPolarHBondContact CD2-ND2 3.47Å
174	P	94.7	Very high	97.1	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-62	-10.4	-169.3	-29.6	38.7	0	0	0	116.7	Y19 V21 Q172 Y176 S177 A178 F442	Y19-P174 HydrophobicContact CD2-CB 3.9Å; Y19-P174 HydrophobicContact CE2-CB 4.02Å; V21-P174 HydrophobicContact CG2-CG 4.14Å; Q172-P174 WeakPolarHBondContact O-CD 3.45Å; P174-Y176 VanDerWaalsContact C-N 3.26Å; P174-Y176 PolarHBondContact O-N 3.33Å; P174-S177 PolarHBondContact O-OG 3.44Å; P174-A178 WeakPolarHBondContact O-CB 3.42Å; P174-A178 PolarHBondContact O-N 3.42Å; P174-F442 HydrophobicContact CG-CD1 4.12Å; P174-F442 HydrophobicContact CG-CE1 4.28Å
175	L	95.5	Very high	97.1	Very high	15 Å²	15	13.4 Å²	13.4	8%	0.079	7%	0.068	C	C	.	.	H	α-helix	trans	-56.2	-43.2	172.6	172.2	61.9	0	0	0	111.6	T144 V147 Y173 T179	T144-L175 HydrophobicContact CG2-CD1 3.8Å; T144-L175 HydrophobicContact CG2-CD2 4.28Å; V147-L175 HydrophobicContact CB-CD2 4.16Å; V147-L175 HydrophobicContact CG1-CD2 4.09Å; V147-L175 HydrophobicContact CG1-CG 4.21Å; V147-L175 HydrophobicContact CG2-CD2 4.2Å; Y173-L175 HydrophobicContact CD1-CB 3.57Å; Y173-L175 HydrophobicContact CD1-CD2 4.34Å; Y173-L175 HydrophobicContact CE1-CB 3.3Å; Y173-L175 HydrophobicContact CE1-CD2 3.74Å; Y173-L175 HydrophobicContact CE1-CG 4.17Å; Y173-L175 HydrophobicContact CG-CB 4.38Å; Y173-L175 PolarHBondContact O-N 3.48Å; L175-T179 VanDerWaalsContact O-CB 3.25Å; L175-T179 WeakPolarHBondContact O-CB 3.24Å; L175-T179 PolarHBondContact O-N 3.28Å; L175-T179 PolarHBondContact O-OG1 3.36Å
176	Y	97.9	Very high	97.1	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-71	-44.6	-173.7	-69.4	-79.6	0	0	0	112.2	V147 L151 Y173 P174 T179 N180 V222 I224 D256	V147-Y176 HydrophobicContact CB-CE1 4.32Å; V147-Y176 HydrophobicContact CG1-CD1 3.77Å; V147-Y176 HydrophobicContact CG1-CE1 3.44Å; V147-Y176 VanDerWaalsContact CG1-CE1 3.44Å; V147-Y176 HydrophobicContact CG2-CE1 3.86Å; V147-Y176 WeakPolarHBondContact CG2-OH 3.31Å; L151-Y176 HydrophobicContact CD1-CD1 4.15Å; Y173-Y176 HydrophobicContact CD1-CD2 4.33Å; Y173-Y176 HydrophobicContact CD1-CE2 4.18Å; Y173-Y176 PolarHBondContact O-N 3.1Å; P174-Y176 VanDerWaalsContact C-N 3.26Å; P174-Y176 PolarHBondContact O-N 3.33Å; Y176-T179 PolarHBondContact O-N 2.88Å; Y176-N180 WeakPolarHBondContact O-CB 3.17Å; Y176-N180 PolarHBondContact O-N 3.33Å; Y176-N180 PolarHBondContact O-ND2 3.36Å; Y176-V222 HydrophobicContact CD1-CB 4.21Å; Y176-V222 HydrophobicContact CD1-CG1 3.61Å; Y176-V222 HydrophobicContact CD1-CG2 3.66Å; Y176-V222 HydrophobicContact CD2-CG1 4Å; Y176-V222 HydrophobicContact CE1-CB 4.23Å; Y176-V222 HydrophobicContact CE1-CG1 3.33Å; Y176-V222 HydrophobicContact CE1-CG2 3.81Å; Y176-V222 HydrophobicContact CE2-CG1 3.76Å; Y176-V222 HydrophobicContact CG-CG1 3.94Å; Y176-V222 HydrophobicContact CG-CG2 4.46Å; Y176-V222 VanDerWaalsContact CZ-CG1 3.42Å; Y176-I224 HydrophobicContact CD2-CD1 4.01Å; Y176-I224 HydrophobicContact CE2-CD1 3.77Å; Y176-I224 HydrophobicContact CE2-CG1 4.02Å; Y176-D256 VanDerWaalsContact OH-CB 3.27Å; Y176-D256 WeakPolarHBondContact OH-CB 3.29Å; Y176-D256 VanDerWaalsContact OH-CG 3.32Å; Y176-D256 PolarHBondContact OH-OD2 2.96Å
177	S	96.7	Very high	97	Very high	11 Å²	11	17.8 Å²	17.8	8%	0.077	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-45	175.3	47.5	0	0	0	0	112.3	Q172 P174 T179 N180 S181	Q172-S177 VanDerWaalsContact CD-OG 3.25Å; Q172-S177 PolarHBondContact NE2-OG 3.16Å; P174-S177 PolarHBondContact O-OG 3.44Å; S177-T179 VanDerWaalsContact C-N 3.32Å; S177-T179 PolarHBondContact O-N 2.89Å; S177-N180 PolarHBondContact O-N 2.87Å; S177-S181 PolarHBondContact O-N 3.16Å
178	A	96.3	Very high	97	Very high	9 Å²	9	17.8 Å²	17.8	7%	0.074	9%	0.088	C	C	.	.	H	α-helix	trans	-57	-45.7	174.7	0	0	0	0	0	112.1	I17 Y19 P174 S181 E182	I17-A178 HydrophobicContact CG2-CB 3.94Å; Y19-A178 HydrophobicContact CD2-CB 4.16Å; P174-A178 WeakPolarHBondContact O-CB 3.42Å; P174-A178 PolarHBondContact O-N 3.42Å; A178-S181 PolarHBondContact O-N 3.32Å; A178-E182 PolarHBondContact O-N 3.37Å
179	T	97.6	Very high	97	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	10%	0.102	C	C	.	.	H	α-helix	trans	-70.5	-35.4	-180	-54	0	0	0	0	111.8	K148 L151 L175 Y176 S177 E182 Y183	K148-T179 HydrophobicContact CB-CG2 4.4Å; K148-T179 HydrophobicContact CG-CG2 3.93Å; L151-T179 HydrophobicContact CB-CG2 3.93Å; L151-T179 HydrophobicContact CD1-CG2 3.54Å; L151-T179 HydrophobicContact CG-CG2 4.34Å; L175-T179 VanDerWaalsContact O-CB 3.25Å; L175-T179 WeakPolarHBondContact O-CB 3.24Å; L175-T179 PolarHBondContact O-N 3.28Å; L175-T179 PolarHBondContact O-OG1 3.36Å; Y176-T179 PolarHBondContact O-N 2.88Å; S177-T179 VanDerWaalsContact C-N 3.32Å; S177-T179 PolarHBondContact O-N 2.89Å; T179-E182 PolarHBondContact O-N 3.27Å; T179-Y183 HydrophobicContact CG2-CD2 3.48Å; T179-Y183 VanDerWaalsContact CG2-CD2 3.48Å; T179-Y183 HydrophobicContact CG2-CE2 3.46Å; T179-Y183 VanDerWaalsContact CG2-CE2 3.46Å; T179-Y183 WeakPolarHBondContact O-CD2 3.4Å; T179-Y183 PolarHBondContact O-N 3.38Å
180	N	97.5	Very high	97	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-43.6	173.3	-75.8	-23.2	0	0	0	111.4	Y176 S177 N184 N185	Y176-N180 WeakPolarHBondContact O-CB 3.17Å; Y176-N180 PolarHBondContact O-N 3.33Å; Y176-N180 PolarHBondContact O-ND2 3.36Å; S177-N180 PolarHBondContact O-N 2.87Å; N180-N184 CarbonylContact O-C 3.41Å; N180-N184 PolarHBondContact O-N 3.32Å; N180-N184 VanDerWaalsContact O-N 3.14Å; N180-N185 HydrophobicContact CB-CB 4.02Å; N180-N185 PolarHBondContact O-N 3Å
181	S	96	Very high	97	Very high	31 Å²	31	23.3 Å²	23.3	22%	0.217	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-48.9	172.3	-73.1	0	0	0	0	111.5	N13 K16 S177 A178 Y183 N184	N13-S181 VanDerWaalsContact CB-O 3.27Å; N13-S181 WeakPolarHBondContact CB-O 3.41Å; K16-S181 PolarHBondContact O-OG 3.37Å; S177-S181 PolarHBondContact O-N 3.16Å; A178-S181 PolarHBondContact O-N 3.32Å; S181-Y183 VanDerWaalsContact C-N 3.34Å; S181-Y183 PolarHBondContact O-N 2.97Å; S181-N184 PolarHBondContact O-N 2.77Å
182	E	96	Very high	97	Very high	49 Å²	49	23.6 Å²	23.6	23%	0.229	11%	0.114	C	C	.	.	H	α-helix	trans	-55.1	-45.9	-178.9	-172.1	176.4	-179.4	0	0	112.4	N13 I17 K148 A178 T179	N13-E182 WeakPolarHBondContact CB-O 3.42Å; I17-E182 HydrophobicContact CD1-CB 3.85Å; I17-E182 HydrophobicContact CD1-CG 4.06Å; I17-E182 HydrophobicContact CG1-CB 4.31Å; K148-E182 WeakPolarHBondContact CE-OE2 3.37Å; K148-E182 IonicContact NZ-OE1 3.32Å; K148-E182 PolarHBondContact NZ-OE1 3.29Å; K148-E182 IonicContact NZ-OE2 3.51Å; K148-E182 PolarHBondContact NZ-OE2 3.02Å; A178-E182 PolarHBondContact O-N 3.37Å; T179-E182 PolarHBondContact O-N 3.27Å
183	Y	96.5	Very high	97.1	Very high	44 Å²	44	25.7 Å²	25.7	17%	0.173	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	14.6	-177.6	-62.1	-50.5	0	0	0	114.8	K148 L151 E152 T179 S181 N185	K148-Y183 HydrophobicContact CB-CE2 4.06Å; K148-Y183 WeakPolarHBondContact CE-OH 3.33Å; K148-Y183 HydrophobicContact CG-CE2 4.49Å; K148-Y183 VanDerWaalsContact O-CE2 3.24Å; K148-Y183 WeakPolarHBondContact O-CE2 3.37Å; L151-Y183 HydrophobicContact CB-CD2 4.24Å; E152-Y183 HydrophobicContact CB-CD1 4.28Å; E152-Y183 HydrophobicContact CB-CD2 4.11Å; E152-Y183 HydrophobicContact CB-CE1 3.97Å; E152-Y183 HydrophobicContact CB-CE2 3.82Å; E152-Y183 HydrophobicContact CB-CG 4.33Å; E152-Y183 HydrophobicContact CG-CD1 4.18Å; E152-Y183 HydrophobicContact CG-CE1 3.86Å; E152-Y183 WeakPolarHBondContact OE2-CE1 3.26Å; E152-Y183 VanDerWaalsContact OE2-CZ 3.31Å; E152-Y183 PolarHBondContact OE2-OH 3.49Å; T179-Y183 HydrophobicContact CG2-CD2 3.48Å; T179-Y183 VanDerWaalsContact CG2-CD2 3.48Å; T179-Y183 HydrophobicContact CG2-CE2 3.46Å; T179-Y183 VanDerWaalsContact CG2-CE2 3.46Å; T179-Y183 WeakPolarHBondContact O-CD2 3.4Å; T179-Y183 PolarHBondContact O-N 3.38Å; S181-Y183 VanDerWaalsContact C-N 3.34Å; S181-Y183 PolarHBondContact O-N 2.97Å; Y183-N185 PolarHBondContact O-N 3.33Å; Y183-N185 VanDerWaalsContact O-N 3.16Å
184	N	96.4	Very high	97.2	Very high	34 Å²	34	24.7 Å²	24.7	18%	0.182	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	23.3	-179.1	-169.3	43	0	0	0	114.4	G158 R163 N180 S181	G158-N184 PolarHBondContact O-ND2 2.95Å; R163-N184 PolarHBondContact NE-O 3.02Å; R163-N184 PolarHBondContact NE-OD1 3.19Å; N180-N184 CarbonylContact O-C 3.41Å; N180-N184 PolarHBondContact O-N 3.32Å; N180-N184 VanDerWaalsContact O-N 3.14Å; S181-N184 PolarHBondContact O-N 2.77Å
185	N	98	Very high	97.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.011	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-73.3	142.3	174.3	-64.9	-26.1	0	0	0	110.2	L151 S155 R163 A164 V166 N180 Y183	L151-N185 PolarHBondContact O-ND2 3.44Å; S155-N185 VanDerWaalsContact CA-OD1 3.28Å; S155-N185 WeakPolarHBondContact CA-OD1 3.32Å; S155-N185 WeakPolarHBondContact CB-OD1 3.34Å; R163-N185 VanDerWaalsContact NH2-C 3.3Å; R163-N185 PolarHBondContact NH2-O 2.91Å; A164-N185 CarbonylContact O-C 3.58Å; A164-N185 WeakPolarHBondContact O-CA 3.5Å; V166-N185 HydrophobicContact CG2-CB 3.94Å; N180-N185 HydrophobicContact CB-CB 4.02Å; N180-N185 PolarHBondContact O-N 3Å; Y183-N185 PolarHBondContact O-N 3.33Å; Y183-N185 VanDerWaalsContact O-N 3.16Å
186	F	97.9	Very high	97.3	Very high	36 Å²	36	33.2 Å²	33.2	16%	0.158	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.5	173.4	-170.2	-75.4	0	0	0	109.5	R163 A164 G165 V166 I188 V212 Q215 C216	R163-F186 HydrophobicContact CB-CB 4.04Å; A164-F186 PolarHBondContact O-N 3.31Å; G165-F186 CarbonylContact C-O 3.44Å; G165-F186 WeakPolarHBondContact CA-O 3.44Å; V166-F186 PolarHBondContact N-O 3.28Å; F186-I188 HydrophobicContact CD1-CG1 3.89Å; F186-I188 HydrophobicContact CE1-CG1 4.25Å; F186-V212 HydrophobicContact CE1-CB 4.09Å; F186-V212 HydrophobicContact CE1-CG1 3.77Å; F186-V212 HydrophobicContact CZ-CG1 4.27Å; F186-Q215 HydrophobicContact CE2-CB 4.03Å; F186-Q215 HydrophobicContact CZ-CB 4.03Å; F186-C216 HydrophobicContact CB-CB 3.54Å; F186-C216 HydrophobicContact CD1-CB 3.88Å; F186-C216 HydrophobicContact CD2-CB 3.97Å; F186-C216 HydrophobicContact CG-CB 3.52Å
187	Q	97.7	Very high	97.3	Very high	56 Å²	56	35.7 Å²	35.7	26%	0.262	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.1	178.7	178	172.9	-35.3	0	0	110.8	I168 Q172 N189	I168-Q187 VanDerWaalsContact CD1-CD 3.41Å; I168-Q187 HydrophobicContact CD1-CG 3.77Å; I168-Q187 HydrophobicContact CG1-CG 3.93Å; Q172-Q187 VanDerWaalsContact OE1-NE2 3.14Å; Q187-N189 VanDerWaalsContact CG-OD1 3.32Å; Q187-N189 WeakPolarHBondContact CG-OD1 3.31Å; Q187-N189 PolarHBondContact NE2-OD1 3.49Å
188	I	98.5	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114	175.6	-50.5	171.5	0	0	0	108	V166 M167 I168 F186 A208 V212 P218	V166-I188 PolarHBondContact O-N 2.86Å; M167-I188 CarbonylContact C-O 3.15Å; M167-I188 VanDerWaalsContact CA-O 3.24Å; M167-I188 WeakPolarHBondContact CA-O 3.24Å; M167-I188 HydrophobicContact CB-CB 4.41Å; M167-I188 HydrophobicContact CG-CB 3.85Å; M167-I188 HydrophobicContact CG-CD1 3.93Å; M167-I188 HydrophobicContact CG-CG1 4.46Å; M167-I188 HydrophobicContact CG-CG2 3.94Å; I168-I188 PolarHBondContact N-O 3.39Å; F186-I188 HydrophobicContact CD1-CG1 3.89Å; F186-I188 HydrophobicContact CE1-CG1 4.25Å; I188-A208 HydrophobicContact CG2-CB 4.31Å; I188-V212 HydrophobicContact CD1-CG2 3.88Å; I188-V212 HydrophobicContact CG1-CG2 3.96Å; I188-V212 HydrophobicContact CG2-CG1 4.2Å; I188-V212 HydrophobicContact CG2-CG2 3.91Å; I188-P218 HydrophobicContact CD1-CB 4.3Å; I188-P218 HydrophobicContact CD1-CG 4.25Å
189	N	98.2	Very high	97.3	Very high	55 Å²	55	35.9 Å²	35.9	29%	0.294	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.7	-176.7	-67.9	-15.5	0	0	0	111.3	I170 Q187 R207 A208	I170-N189 HydrophobicContact CD1-CB 4.44Å; I170-N189 HydrophobicContact CG1-CB 3.75Å; Q187-N189 VanDerWaalsContact CG-OD1 3.32Å; Q187-N189 WeakPolarHBondContact CG-OD1 3.31Å; Q187-N189 PolarHBondContact NE2-OD1 3.49Å; N189-R207 PolarHBondContact O-NH2 3.34Å; N189-R207 VanDerWaalsContact O-NH2 3.1Å; N189-A208 VanDerWaalsContact O-CB 3.32Å; N189-A208 WeakPolarHBondContact O-CB 3.43Å
190	Y	98.5	Very high	97.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.3	162	70.2	-99.2	0	0	0	109.5	M167 I168 P169 I170 L192 L200 E204 L205 I221 V222 I223	M167-Y190 HydrophobicContact CB-CD1 4.07Å; M167-Y190 HydrophobicContact CB-CE1 4.35Å; I168-Y190 VanDerWaalsContact O-CD1 3.3Å; I168-Y190 WeakPolarHBondContact O-CD1 3.45Å; I168-Y190 WeakPolarHBondContact O-CE1 3.29Å; I168-Y190 PolarHBondContact O-N 2.84Å; P169-Y190 CarbonylContact C-O 3.55Å; P169-Y190 VanDerWaalsContact CA-CE2 3.43Å; P169-Y190 WeakPolarHBondContact CA-O 3.24Å; P169-Y190 HydrophobicContact CB-CD2 4.44Å; P169-Y190 HydrophobicContact CB-CE1 4.41Å; P169-Y190 HydrophobicContact CB-CE2 3.56Å; P169-Y190 WeakPolarHBondContact CB-OH 3.47Å; P169-Y190 VanDerWaalsContact CD-OH 3.26Å; P169-Y190 WeakPolarHBondContact CD-OH 3.25Å; P169-Y190 VanDerWaalsContact N-CZ 3.32Å; I170-Y190 PolarHBondContact N-O 3.31Å; Y190-L192 HydrophobicContact CE2-CD2 4.05Å; Y190-L200 HydrophobicContact CD2-CD1 3.45Å; Y190-L200 VanDerWaalsContact CD2-CD1 3.45Å; Y190-L200 HydrophobicContact CD2-CD2 3.87Å; Y190-L200 HydrophobicContact CD2-CG 4.32Å; Y190-L200 HydrophobicContact CE2-CD1 3.85Å; Y190-L200 HydrophobicContact CE2-CD2 3.45Å; Y190-L200 VanDerWaalsContact CE2-CD2 3.45Å; Y190-L200 HydrophobicContact CE2-CG 4.27Å; Y190-L200 HydrophobicContact CG-CD1 4.37Å; Y190-E204 VanDerWaalsContact CA-OE1 3.28Å; Y190-E204 WeakPolarHBondContact CA-OE1 3.28Å; Y190-L205 HydrophobicContact CD1-CD2 4.37Å; Y190-L205 HydrophobicContact CG-CD2 4.21Å; Y190-I221 HydrophobicContact CE1-CD1 4.25Å; Y190-I221 HydrophobicContact CE1-CG1 4.11Å; Y190-V222 PolarHBondContact OH-O 2.89Å; Y190-I223 WeakPolarHBondContact OH-CD1 3.35Å
191	Y	98.2	Very high	97.2	Very high	72 Å²	72	38.9 Å²	38.9	28%	0.282	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.2	-175.5	-68.1	-91.4	0	0	0	111.2	I170 E204 Q445	I170-Y191 HydrophobicContact CB-CD1 3.78Å; I170-Y191 HydrophobicContact CB-CE1 3.93Å; I170-Y191 HydrophobicContact CB-CG 4.38Å; I170-Y191 HydrophobicContact CG1-CE1 4.48Å; I170-Y191 HydrophobicContact CG2-CD1 3.67Å; I170-Y191 HydrophobicContact CG2-CE1 3.54Å; I170-Y191 WeakPolarHBondContact O-CA 3.45Å; Y191-E204 PolarHBondContact N-OE1 2.95Å; Y191-E204 VanDerWaalsContact O-CG 3.27Å; Y191-E204 WeakPolarHBondContact O-CG 3.45Å; Y191-Q445 HydrophobicContact CD1-CG 3.72Å; Y191-Q445 HydrophobicContact CE1-CG 4.13Å; Y191-Q445 HydrophobicContact CG-CG 4.46Å
192	L	98.2	Very high	97.2	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.047	21%	0.21	C	C	.	.			trans	-80.3	143.5	166.9	-61.8	174.7	0	0	0	109.2	P169 I170 Y190 E194 W198 S199 L200	P169-L192 HydrophobicContact CB-CD1 4.08Å; P169-L192 HydrophobicContact CB-CD2 4.38Å; P169-L192 HydrophobicContact CB-CG 4.11Å; I170-L192 PolarHBondContact O-N 2.75Å; Y190-L192 HydrophobicContact CE2-CD2 4.05Å; L192-E194 PolarHBondContact O-N 2.88Å; L192-W198 HydrophobicContact CB-CB 4.28Å; L192-W198 HydrophobicContact CB-CE3 3.86Å; L192-S199 WeakPolarHBondContact CA-O 3.36Å; L192-L200 HydrophobicContact CD2-CB 4.11Å
193	D	97.5	Very high	97.3	Very high	63 Å²	63	41.6 Å²	41.6	34%	0.337	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-86.1	99.2	-176.6	-169.8	-18.1	0	0	0	111	S195 D196 W198 S199	D193-S195 PolarHBondContact O-N 3.06Å; D193-S195 WeakPolarHBondContact OD1-CA 3.49Å; D193-S195 WeakPolarHBondContact OD1-CB 3.35Å; D193-S195 PolarHBondContact OD1-N 3.48Å; D193-S195 PolarHBondContact OD1-OG 3.48Å; D193-D196 HydrophobicContact CB-CB 4.33Å; D193-D196 CarbonylContact O-C 3.37Å; D193-D196 PolarHBondContact O-N 2.88Å; D193-D196 VanDerWaalsContact O-N 3.13Å; D193-D196 PolarHBondContact OD1-N 2.74Å; D193-W198 WeakPolarHBondContact O-CA 3.34Å; D193-W198 PolarHBondContact O-N 3.29Å; D193-S199 PolarHBondContact N-O 3.12Å
194	E	97.7	Very high	97.4	Very high	25 Å²	25	40.9 Å²	40.9	12%	0.117	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54.1	-36.3	176.1	-176.3	174	-155.2	0	0	112.8	L192 D196 W198 N391 R402 H450	L192-E194 PolarHBondContact O-N 2.88Å; E194-D196 PolarHBondContact O-N 3.26Å; E194-W198 HydrophobicContact CB-CD2 4.21Å; E194-W198 HydrophobicContact CB-CE3 3.93Å; E194-W198 HydrophobicContact CB-CH2 3.57Å; E194-W198 HydrophobicContact CB-CZ2 3.84Å; E194-W198 HydrophobicContact CB-CZ3 3.62Å; E194-W198 HydrophobicContact CG-CD2 4.46Å; E194-W198 HydrophobicContact CG-CH2 3.7Å; E194-W198 HydrophobicContact CG-CZ2 3.5Å; E194-W198 HydrophobicContact CG-CZ3 4.25Å; E194-N391 PolarHBondContact O-ND2 2.77Å; E194-R402 WeakPolarHBondContact OE1-CB 3.44Å; E194-R402 WeakPolarHBondContact OE1-CD 3.28Å; E194-R402 WeakPolarHBondContact OE2-CD 3.47Å; E194-R402 IonicContact OE2-CZ 2.79Å; E194-R402 IonicContact OE2-NH1 2.71Å; E194-R402 PolarHBondContact OE2-NH1 2.98Å; E194-H450 IonicContact OE1-CE1 2.86Å; E194-H450 PolarHBondContact OE1-CE1 3.48Å; E194-H450 VanDerWaalsContact OE1-CE1 3.23Å; E194-H450 IonicContact OE1-ND1 2.75Å; E194-H450 IonicContact OE2-CE1 2.84Å
195	S	96.5	Very high	97.5	Very high	109 Å²	109	39.3 Å²	39.3	76%	0.762	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-73.1	-18.5	-176.3	73.6	0	0	0	0	113.1	D193	D193-S195 PolarHBondContact O-N 3.06Å; D193-S195 WeakPolarHBondContact OD1-CA 3.49Å; D193-S195 WeakPolarHBondContact OD1-CB 3.35Å; D193-S195 PolarHBondContact OD1-N 3.48Å; D193-S195 PolarHBondContact OD1-OG 3.48Å
196	D	96.2	Very high	97.5	Very high	86 Å²	86	44 Å²	44	46%	0.46	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-117.5	51.2	176.1	-173.5	34.8	0	0	0	111.3	D193 E194 W198 S199	D193-D196 HydrophobicContact CB-CB 4.33Å; D193-D196 CarbonylContact O-C 3.37Å; D193-D196 PolarHBondContact O-N 2.88Å; D193-D196 VanDerWaalsContact O-N 3.13Å; D193-D196 PolarHBondContact OD1-N 2.74Å; E194-D196 PolarHBondContact O-N 3.26Å; D196-W198 PolarHBondContact O-N 2.83Å; D196-W198 VanDerWaalsContact O-N 3.15Å; D196-S199 WeakPolarHBondContact O-CB 3.33Å; D196-S199 PolarHBondContact O-N 2.75Å; D196-S199 PolarHBondContact O-OG 2.87Å; D196-S199 VanDerWaalsContact OD2-CB 3.32Å; D196-S199 WeakPolarHBondContact OD2-CB 3.25Å; D196-S199 PolarHBondContact OD2-OG 3.45Å
197	N	96.4	Very high	97.6	Very high	53 Å²	53	46.6 Å²	46.6	28%	0.283	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	36	176.4	-60.7	-74.1	0	0	0	114.6	S199 Q232 N391 P392	N197-S199 VanDerWaalsContact C-N 3.29Å; N197-S199 PolarHBondContact O-N 3.22Å; N197-Q232 VanDerWaalsContact O-CB 3.22Å; N197-Q232 WeakPolarHBondContact O-CB 3.35Å; N197-N391 PolarHBondContact OD1-OD1 3.04Å; N197-P392 WeakPolarHBondContact OD1-CD 3.38Å
198	W	97.6	Very high	97.6	Very high	11 Å²	11	44 Å²	44	4%	0.042	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	33.3	-176.9	-54.2	108.1	0	0	0	113.9	P171 L192 D193 E194 D196 T230 Q232 N391 F400 H450	P171-W198 HydrophobicContact CG-CE3 4.46Å; P171-W198 HydrophobicContact CG-CZ3 4.18Å; L192-W198 HydrophobicContact CB-CB 4.28Å; L192-W198 HydrophobicContact CB-CE3 3.86Å; D193-W198 WeakPolarHBondContact O-CA 3.34Å; D193-W198 PolarHBondContact O-N 3.29Å; E194-W198 HydrophobicContact CB-CD2 4.21Å; E194-W198 HydrophobicContact CB-CE3 3.93Å; E194-W198 HydrophobicContact CB-CH2 3.57Å; E194-W198 HydrophobicContact CB-CZ2 3.84Å; E194-W198 HydrophobicContact CB-CZ3 3.62Å; E194-W198 HydrophobicContact CG-CD2 4.46Å; E194-W198 HydrophobicContact CG-CH2 3.7Å; E194-W198 HydrophobicContact CG-CZ2 3.5Å; E194-W198 HydrophobicContact CG-CZ3 4.25Å; D196-W198 PolarHBondContact O-N 2.83Å; D196-W198 VanDerWaalsContact O-N 3.15Å; W198-T230 HydrophobicContact CB-CG2 4.15Å; W198-T230 HydrophobicContact CD2-CG2 3.38Å; W198-T230 HydrophobicContact CE3-CG2 3.85Å; W198-T230 HydrophobicContact CG-CG2 3.53Å; W198-T230 HydrophobicContact CZ2-CG2 4.13Å; W198-T230 HydrophobicContact CZ3-CG2 4.38Å; W198-Q232 HydrophobicContact CB-CB 4.14Å; W198-Q232 HydrophobicContact CB-CG 4Å; W198-Q232 WeakPolarHBondContact O-CG 3.39Å; W198-Q232 PolarHBondContact O-NE2 3.35Å; W198-N391 VanDerWaalsContact CD1-ND2 3.27Å; W198-N391 PolarHBondContact NE1-ND2 2.82Å; W198-F400 HydrophobicContact CH2-CD1 4.05Å; W198-F400 HydrophobicContact CH2-CE1 4.32Å; W198-F400 AromaticContact CZ2-CD1 3.82Å; W198-F400 HydrophobicContact CZ2-CD1 3.82Å; W198-H450 AromaticContact CH2-CE1 3.78Å
199	S	96.3	Very high	97.6	Very high	13 Å²	13	45.2 Å²	45.2	9%	0.091	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-68.8	177.1	171.7	78.7	0	0	0	0	111.9	L192 D193 D196 N197	L192-S199 WeakPolarHBondContact CA-O 3.36Å; D193-S199 PolarHBondContact N-O 3.12Å; D196-S199 WeakPolarHBondContact O-CB 3.33Å; D196-S199 PolarHBondContact O-N 2.75Å; D196-S199 PolarHBondContact O-OG 2.87Å; D196-S199 VanDerWaalsContact OD2-CB 3.32Å; D196-S199 WeakPolarHBondContact OD2-CB 3.25Å; D196-S199 PolarHBondContact OD2-OG 3.45Å; N197-S199 VanDerWaalsContact C-N 3.29Å; N197-S199 PolarHBondContact O-N 3.22Å
200	L	97.3	Very high	97.6	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	26%	0.257	C	S	.	.			trans	-132.3	128.6	177.6	178.9	58.2	0	0	0	110.3	Y190 L192 E204 L205 I223 C238 I242	Y190-L200 HydrophobicContact CD2-CD1 3.45Å; Y190-L200 VanDerWaalsContact CD2-CD1 3.45Å; Y190-L200 HydrophobicContact CD2-CD2 3.87Å; Y190-L200 HydrophobicContact CD2-CG 4.32Å; Y190-L200 HydrophobicContact CE2-CD1 3.85Å; Y190-L200 HydrophobicContact CE2-CD2 3.45Å; Y190-L200 VanDerWaalsContact CE2-CD2 3.45Å; Y190-L200 HydrophobicContact CE2-CG 4.27Å; Y190-L200 HydrophobicContact CG-CD1 4.37Å; L192-L200 HydrophobicContact CD2-CB 4.11Å; L200-E204 HydrophobicContact CD1-CB 4.36Å; L200-E204 HydrophobicContact CD1-CG 4.07Å; L200-L205 HydrophobicContact CD1-CD2 4.24Å; L200-L205 HydrophobicContact CD1-CG 4.23Å; L200-L205 HydrophobicContact CD2-CD1 4.39Å; L200-L205 HydrophobicContact CD2-CD2 3.91Å; L200-L205 HydrophobicContact CD2-CG 4.25Å; L200-L205 HydrophobicContact CG-CD1 4.48Å; L200-L205 HydrophobicContact CG-CD2 4.32Å; L200-L205 HydrophobicContact CG-CG 4.21Å; L200-I223 HydrophobicContact CD2-CD1 4.04Å; L200-C238 PolarHBondContact O-SG 2.87Å; L200-I242 HydrophobicContact CD2-CD1 3.89Å; L200-I242 HydrophobicContact CD2-CG1 3.98Å
201	S	95.5	Very high	97.6	Very high	57 Å²	57	51.7 Å²	51.7	40%	0.399	28%	0.277	S	S	.	.			trans	-100.2	152	179.7	74.4	0	0	0	0	112.1	D203 E204 L205	S201-D203 PolarHBondContact O-N 2.62Å; S201-E204 PolarHBondContact O-N 3.29Å; S201-E204 WeakPolarHBondContact OG-CB 3.38Å; S201-E204 PolarHBondContact OG-N 3.33Å; S201-L205 PolarHBondContact O-N 3.37Å
202	A	96.7	Very high	97.5	Very high	28 Å²	28	48.9 Å²	48.9	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-31.5	174.9	0	0	0	0	0	112.6	L205 K206 D241	A202-L205 PolarHBondContact O-N 2.85Å; A202-K206 VanDerWaalsContact O-CG 3.31Å; A202-K206 WeakPolarHBondContact O-CG 3.27Å; A202-K206 PolarHBondContact O-N 3.3Å; A202-K206 VanDerWaalsContact O-N 3.09Å; A202-D241 HydrophobicContact CB-CB 4.36Å
203	D	98.1	Very high	97.5	Very high	109 Å²	109	57.2 Å²	57.2	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-73	-34.5	-179.4	-69.1	-22.1	0	0	0	112	S201 K206 R207	S201-D203 PolarHBondContact O-N 2.62Å; D203-K206 PolarHBondContact O-N 2.88Å; D203-K206 IonicContact OD1-NZ 3.36Å; D203-K206 PolarHBondContact OD1-NZ 3.36Å; D203-R207 WeakPolarHBondContact O-CB 3.22Å; D203-R207 PolarHBondContact O-N 2.81Å
204	E	98.4	Very high	97.4	Very high	29 Å²	29	57.2 Å²	57.2	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-41.1	172.5	174.9	48.1	-149.9	0	0	112	Y190 Y191 L200 S201 K206 R207 A208	Y190-E204 VanDerWaalsContact CA-OE1 3.28Å; Y190-E204 WeakPolarHBondContact CA-OE1 3.28Å; Y191-E204 PolarHBondContact N-OE1 2.95Å; Y191-E204 VanDerWaalsContact O-CG 3.27Å; Y191-E204 WeakPolarHBondContact O-CG 3.45Å; L200-E204 HydrophobicContact CD1-CB 4.36Å; L200-E204 HydrophobicContact CD1-CG 4.07Å; S201-E204 PolarHBondContact O-N 3.29Å; S201-E204 WeakPolarHBondContact OG-CB 3.38Å; S201-E204 PolarHBondContact OG-N 3.33Å; E204-K206 PolarHBondContact O-N 3.19Å; E204-R207 PolarHBondContact O-N 3.43Å; E204-R207 IonicContact OE1-CZ 2.82Å; E204-R207 IonicContact OE1-NE 2.57Å; E204-R207 PolarHBondContact OE1-NE 2.99Å; E204-R207 IonicContact OE1-NH2 3.85Å; E204-R207 PolarHBondContact OE1-NH2 2.93Å; E204-R207 WeakPolarHBondContact OE2-CD 3.21Å; E204-R207 IonicContact OE2-CZ 2.74Å; E204-R207 IonicContact OE2-NE 3.84Å; E204-R207 PolarHBondContact OE2-NE 3.45Å; E204-R207 IonicContact OE2-NH2 2.76Å; E204-A208 WeakPolarHBondContact O-CB 3.33Å; E204-A208 PolarHBondContact O-N 3.46Å
205	L	98.6	Very high	97.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-45.8	173.5	-70.9	175.4	0	0	0	112.1	M167 Y190 L200 S201 A202 A208 L209 I221 I242 F245	M167-L205 HydrophobicContact CE-CD2 4.08Å; Y190-L205 HydrophobicContact CD1-CD2 4.37Å; Y190-L205 HydrophobicContact CG-CD2 4.21Å; L200-L205 HydrophobicContact CD1-CD2 4.24Å; L200-L205 HydrophobicContact CD1-CG 4.23Å; L200-L205 HydrophobicContact CD2-CD1 4.39Å; L200-L205 HydrophobicContact CD2-CD2 3.91Å; L200-L205 HydrophobicContact CD2-CG 4.25Å; L200-L205 HydrophobicContact CG-CD1 4.48Å; L200-L205 HydrophobicContact CG-CD2 4.32Å; L200-L205 HydrophobicContact CG-CG 4.21Å; S201-L205 PolarHBondContact O-N 3.37Å; A202-L205 PolarHBondContact O-N 2.85Å; L205-A208 PolarHBondContact O-N 3.19Å; L205-L209 PolarHBondContact O-N 3.05Å; L205-L209 VanDerWaalsContact O-N 3.12Å; L205-I221 HydrophobicContact CD2-CD1 3.48Å; L205-I221 VanDerWaalsContact CD2-CD1 3.48Å; L205-I242 HydrophobicContact CD1-CG1 4.03Å; L205-F245 HydrophobicContact CB-CD1 3.99Å; L205-F245 HydrophobicContact CB-CD2 3.76Å; L205-F245 HydrophobicContact CB-CE1 3.95Å; L205-F245 HydrophobicContact CB-CE2 3.72Å; L205-F245 HydrophobicContact CB-CG 3.89Å; L205-F245 HydrophobicContact CB-CZ 3.81Å; L205-F245 HydrophobicContact CD1-CB 3.96Å; L205-F245 HydrophobicContact CD1-CD1 3.92Å; L205-F245 HydrophobicContact CD1-CD2 4.47Å; L205-F245 HydrophobicContact CD1-CG 3.85Å; L205-F245 HydrophobicContact CD2-CD1 4.39Å; L205-F245 HydrophobicContact CD2-CE1 4.35Å; L205-F245 HydrophobicContact CG-CD1 4.34Å; L205-F245 HydrophobicContact CG-CG 4.44Å; L205-F245 WeakPolarHBondContact O-CZ 3.16Å
206	K	98.5	Very high	97.4	Very high	100 Å²	100	56 Å²	56	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-46.3	175.2	-67.5	168.5	-163.9	159.1	0	111.1	A202 D203 E204 A208 L209 M210 F245	A202-K206 VanDerWaalsContact O-CG 3.31Å; A202-K206 WeakPolarHBondContact O-CG 3.27Å; A202-K206 PolarHBondContact O-N 3.3Å; A202-K206 VanDerWaalsContact O-N 3.09Å; D203-K206 PolarHBondContact O-N 2.88Å; D203-K206 IonicContact OD1-NZ 3.36Å; D203-K206 PolarHBondContact OD1-NZ 3.36Å; E204-K206 PolarHBondContact O-N 3.19Å; K206-A208 PolarHBondContact O-N 2.98Å; K206-L209 PolarHBondContact O-N 3.22Å; K206-M210 HydrophobicContact CB-CE 4.08Å; K206-M210 WeakPolarHBondContact O-CB 3.5Å; K206-M210 WeakPolarHBondContact O-CE 3.45Å; K206-M210 VanDerWaalsContact O-CG 3.25Å; K206-M210 WeakPolarHBondContact O-CG 3.3Å; K206-M210 PolarHBondContact O-N 2.67Å; K206-F245 HydrophobicContact CG-CD2 4.39Å; K206-F245 HydrophobicContact CG-CE2 4.18Å
207	R	98.4	Very high	97.5	Very high	92 Å²	92	55.8 Å²	55.8	35%	0.347	30%	0.3	S	S	.	.	H	α-helix	trans	-56.7	-51.1	178.1	-177.3	-148	63.4	70.5	6.2	110.6	N189 D203 E204 L209 M210 S211	N189-R207 PolarHBondContact O-NH2 3.34Å; N189-R207 VanDerWaalsContact O-NH2 3.1Å; D203-R207 WeakPolarHBondContact O-CB 3.22Å; D203-R207 PolarHBondContact O-N 2.81Å; E204-R207 PolarHBondContact O-N 3.43Å; E204-R207 IonicContact OE1-CZ 2.82Å; E204-R207 IonicContact OE1-NE 2.57Å; E204-R207 PolarHBondContact OE1-NE 2.99Å; E204-R207 IonicContact OE1-NH2 3.85Å; E204-R207 PolarHBondContact OE1-NH2 2.93Å; E204-R207 WeakPolarHBondContact OE2-CD 3.21Å; E204-R207 IonicContact OE2-CZ 2.74Å; E204-R207 IonicContact OE2-NE 3.84Å; E204-R207 PolarHBondContact OE2-NE 3.45Å; E204-R207 IonicContact OE2-NH2 2.76Å; R207-L209 PolarHBondContact O-N 3.34Å; R207-M210 PolarHBondContact O-N 2.5Å; R207-S211 WeakPolarHBondContact O-CB 3.46Å; R207-S211 PolarHBondContact O-N 3.27Å
208	A	98.5	Very high	97.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.4	-51	-179.9	0	0	0	0	0	111.4	M167 I188 N189 E204 L205 K206 S211	M167-A208 HydrophobicContact CE-CB 3.89Å; I188-A208 HydrophobicContact CG2-CB 4.31Å; N189-A208 VanDerWaalsContact O-CB 3.32Å; N189-A208 WeakPolarHBondContact O-CB 3.43Å; E204-A208 WeakPolarHBondContact O-CB 3.33Å; E204-A208 PolarHBondContact O-N 3.46Å; L205-A208 PolarHBondContact O-N 3.19Å; K206-A208 PolarHBondContact O-N 2.98Å; A208-S211 PolarHBondContact O-N 3.1Å; A208-S211 PolarHBondContact O-OG 3.36Å
209	L	98.4	Very high	97.7	Very high	27 Å²	27	58 Å²	58	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-41.3	-179.6	-170.5	64.5	0	0	0	112.8	M167 L205 K206 R207 S211 V212 P218 F245 N249	M167-L209 HydrophobicContact CE-CB 4.38Å; M167-L209 HydrophobicContact SD-CD1 4.21Å; L205-L209 PolarHBondContact O-N 3.05Å; L205-L209 VanDerWaalsContact O-N 3.12Å; K206-L209 PolarHBondContact O-N 3.22Å; R207-L209 PolarHBondContact O-N 3.34Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 2.98Å; L209-V212 VanDerWaalsContact O-CG2 3.31Å; L209-V212 WeakPolarHBondContact O-CG2 3.48Å; L209-V212 PolarHBondContact O-N 3.12Å; L209-P218 HydrophobicContact CD1-CB 3.57Å; L209-P218 HydrophobicContact CD1-CG 3.39Å; L209-F245 HydrophobicContact CB-CZ 4.01Å; L209-F245 HydrophobicContact CD2-CE2 4.31Å; L209-F245 HydrophobicContact CD2-CZ 3.77Å; L209-F245 HydrophobicContact CG-CZ 4.48Å; L209-N249 HydrophobicContact CD2-CB 3.92Å; L209-N249 VanDerWaalsContact CD2-OD1 3.26Å; L209-N249 WeakPolarHBondContact CD2-OD1 3.5Å
210	M	98.1	Very high	97.8	Very high	130 Å²	130	57.4 Å²	57.4	64%	0.64	31%	0.308	S	S	*	.	H	α-helix	trans	-66.7	-34.9	177.5	-72.2	-173.2	-63.2	0	0	112.5	K206 R207 V212 K213	K206-M210 HydrophobicContact CB-CE 4.08Å; K206-M210 WeakPolarHBondContact O-CB 3.5Å; K206-M210 WeakPolarHBondContact O-CE 3.45Å; K206-M210 VanDerWaalsContact O-CG 3.25Å; K206-M210 WeakPolarHBondContact O-CG 3.3Å; K206-M210 PolarHBondContact O-N 2.67Å; R207-M210 PolarHBondContact O-N 2.5Å; M210-V212 PolarHBondContact O-N 3.05Å; M210-V212 VanDerWaalsContact O-N 3.14Å; M210-K213 WeakPolarHBondContact O-CB 3.39Å; M210-K213 PolarHBondContact O-N 3.21Å
211	S	98	Very high	97.9	Very high	62 Å²	62	57 Å²	57	43%	0.434	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-20.9	-178.2	73.9	0	0	0	0	114.2	R207 A208 L209 Q215	R207-S211 WeakPolarHBondContact O-CB 3.46Å; R207-S211 PolarHBondContact O-N 3.27Å; A208-S211 PolarHBondContact O-N 3.1Å; A208-S211 PolarHBondContact O-OG 3.36Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 2.98Å; S211-Q215 PolarHBondContact O-NE2 3.46Å
212	V	97.5	Very high	98	Very high	13 Å²	13	54.3 Å²	54.3	8%	0.079	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	13.5	-177.4	-58.4	0	0	0	0	112.6	F186 I188 L209 M210 G214 Q215	F186-V212 HydrophobicContact CE1-CB 4.09Å; F186-V212 HydrophobicContact CE1-CG1 3.77Å; F186-V212 HydrophobicContact CZ-CG1 4.27Å; I188-V212 HydrophobicContact CD1-CG2 3.88Å; I188-V212 HydrophobicContact CG1-CG2 3.96Å; I188-V212 HydrophobicContact CG2-CG1 4.2Å; I188-V212 HydrophobicContact CG2-CG2 3.91Å; L209-V212 VanDerWaalsContact O-CG2 3.31Å; L209-V212 WeakPolarHBondContact O-CG2 3.48Å; L209-V212 PolarHBondContact O-N 3.12Å; M210-V212 PolarHBondContact O-N 3.05Å; M210-V212 VanDerWaalsContact O-N 3.14Å; V212-G214 PolarHBondContact O-N 3.39Å; V212-G214 VanDerWaalsContact O-N 3.16Å; V212-Q215 WeakPolarHBondContact O-CB 3.29Å; V212-Q215 PolarHBondContact O-N 3.25Å
213	K	96.4	Very high	98.1	Very high	185 Å²	185	53.1 Å²	53.1	80%	0.804	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	122.5	-176.8	-174.6	177.1	-178.7	178.8	0	110.7	M210 Q215	M210-K213 WeakPolarHBondContact O-CB 3.39Å; M210-K213 PolarHBondContact O-N 3.21Å; K213-Q215 VanDerWaalsContact C-N 3.32Å
214	G	96.3	Very high	98.1	Very high	63 Å²	63	48.3 Å²	48.3	65%	0.649	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-0.6	-179.3	0	0	0	0	0	115.4	S161 V212	S161-G214 VanDerWaalsContact CB-O 3.23Å; S161-G214 WeakPolarHBondContact CB-O 3.43Å; V212-G214 PolarHBondContact O-N 3.39Å; V212-G214 VanDerWaalsContact O-N 3.16Å
215	Q	97.5	Very high	98.1	Very high	97 Å²	97	47 Å²	47	45%	0.453	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.9	-179.9	-57.7	-179.2	41.9	0	0	113.8	D160 S161 F186 S211 V212 K213	D160-Q215 CarbonylContact C-O 3.58Å; S161-Q215 WeakPolarHBondContact CA-O 3.05Å; F186-Q215 HydrophobicContact CE2-CB 4.03Å; F186-Q215 HydrophobicContact CZ-CB 4.03Å; S211-Q215 PolarHBondContact O-NE2 3.46Å; V212-Q215 WeakPolarHBondContact O-CB 3.29Å; V212-Q215 PolarHBondContact O-N 3.25Å; K213-Q215 VanDerWaalsContact C-N 3.32Å
216	C	97.8	Very high	98.1	Very high	12 Å²	12	46.9 Å²	46.9	8%	0.081	24%	0.244	C	C	.	.	S	Bend	trans	-161.3	178	177.5	63.8	0	0	0	0	110.7	S161 R163 F186 P218	S161-C216 CarbonylContact O-C 3.56Å; S161-C216 WeakPolarHBondContact O-CA 3.39Å; R163-C216 WeakPolarHBondContact O-CB 3.5Å; F186-C216 HydrophobicContact CB-CB 3.54Å; F186-C216 HydrophobicContact CD1-CB 3.88Å; F186-C216 HydrophobicContact CD2-CB 3.97Å; F186-C216 HydrophobicContact CG-CB 3.52Å; C216-P218 WeakPolarHBondContact O-CD 3.47Å
217	I	98	Very high	98.1	Very high	80 Å²	80	42.2 Å²	42.2	41%	0.41	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	97.4	170.6	-55.6	171.1	0	0	0	108.1	R163 G165 K219	R163-I217 PolarHBondContact O-N 3.43Å; G165-I217 PolarHBondContact N-O 2.94Å; I217-K219 HydrophobicContact CG2-CG 4.39Å; I217-K219 PolarHBondContact O-N 3.21Å
218	P	98.2	Very high	98	Very high	45 Å²	45	38 Å²	38	29%	0.292	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	128.6	177.3	-24.4	34.9	0	0	0	111.3	I188 L209 C216 L251	I188-P218 HydrophobicContact CD1-CB 4.3Å; I188-P218 HydrophobicContact CD1-CG 4.25Å; L209-P218 HydrophobicContact CD1-CB 3.57Å; L209-P218 HydrophobicContact CD1-CG 3.39Å; C216-P218 WeakPolarHBondContact O-CD 3.47Å; P218-L251 HydrophobicContact CB-CD2 3.71Å
219	K	98.5	Very high	97.9	Very high	67 Å²	67	38 Å²	38	29%	0.291	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-29.1	-178.1	-74.8	-168.5	-178.8	-174.7	0	114.3	I154 A164 G165 I217 M252	I154-K219 HydrophobicContact CB-CB 4.35Å; I154-K219 HydrophobicContact CB-CD 4.08Å; I154-K219 WeakPolarHBondContact O-CD 3.37Å; I154-K219 PolarHBondContact O-NZ 3.27Å; A164-K219 HydrophobicContact CB-CD 4.02Å; G165-K219 PolarHBondContact O-N 3.34Å; I217-K219 HydrophobicContact CG2-CG 4.39Å; I217-K219 PolarHBondContact O-N 3.21Å; K219-M252 PolarHBondContact O-N 2.86Å
220	A	98.8	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.6	-176.3	0	0	0	0	0	112.9	I154 G165 V166 M167 M252 I254	I154-A220 HydrophobicContact CD1-CB 3.61Å; G165-A220 PolarHBondContact O-N 3.33Å; V166-A220 HydrophobicContact CG1-CB 4.47Å; M167-A220 PolarHBondContact N-O 2.98Å; A220-M252 CarbonylContact C-O 3.58Å; A220-M252 WeakPolarHBondContact CA-O 3.47Å; A220-M252 HydrophobicContact CB-CB 4.38Å; A220-M252 HydrophobicContact CB-CE 3.92Å; A220-I254 HydrophobicContact CB-CD1 4.4Å
221	I	98.9	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.5	165	-179.4	167.5	0	0	0	109.3	M167 Y190 L205 I223 A246 L251 M252 L253 I254	M167-I221 HydrophobicContact CB-CB 4.02Å; M167-I221 HydrophobicContact CB-CD1 4.48Å; M167-I221 HydrophobicContact CB-CG1 3.96Å; Y190-I221 HydrophobicContact CE1-CD1 4.25Å; Y190-I221 HydrophobicContact CE1-CG1 4.11Å; L205-I221 HydrophobicContact CD2-CD1 3.48Å; L205-I221 VanDerWaalsContact CD2-CD1 3.48Å; I221-I223 HydrophobicContact CD1-CD1 3.87Å; I221-I223 HydrophobicContact CG1-CD1 3.89Å; I221-I223 HydrophobicContact CG1-CG1 4.44Å; I221-A246 HydrophobicContact CG2-CB 4.19Å; I221-L251 HydrophobicContact CB-CD1 4.44Å; I221-L251 HydrophobicContact CG2-CB 4.26Å; I221-L251 HydrophobicContact CG2-CD1 4.47Å; I221-M252 PolarHBondContact N-O 3.34Å; I221-L253 HydrophobicContact CG2-CB 4.49Å; I221-L253 HydrophobicContact CG2-CD1 3.9Å; I221-I254 PolarHBondContact O-N 3.43Å
222	V	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127	176.8	176.4	0	0	0	0	108.3	V166 M167 I168 Y176 Y190 I224 I254	V166-V222 HydrophobicContact CG1-CG2 3.94Å; M167-V222 PolarHBondContact O-N 3.14Å; I168-V222 HydrophobicContact CG2-CB 4.11Å; I168-V222 HydrophobicContact CG2-CG2 3.97Å; Y176-V222 HydrophobicContact CD1-CB 4.21Å; Y176-V222 HydrophobicContact CD1-CG1 3.61Å; Y176-V222 HydrophobicContact CD1-CG2 3.66Å; Y176-V222 HydrophobicContact CD2-CG1 4Å; Y176-V222 HydrophobicContact CE1-CB 4.23Å; Y176-V222 HydrophobicContact CE1-CG1 3.33Å; Y176-V222 HydrophobicContact CE1-CG2 3.81Å; Y176-V222 HydrophobicContact CE2-CG1 3.76Å; Y176-V222 HydrophobicContact CG-CG1 3.94Å; Y176-V222 HydrophobicContact CG-CG2 4.46Å; Y176-V222 VanDerWaalsContact CZ-CG1 3.42Å; Y190-V222 PolarHBondContact OH-O 2.89Å; V222-I224 HydrophobicContact CG1-CG1 4.31Å; V222-I254 CarbonylContact C-O 3.59Å; V222-I254 WeakPolarHBondContact CA-O 3.49Å; V222-I254 HydrophobicContact CG2-CB 4.18Å; V222-I254 HydrophobicContact CG2-CD1 4.16Å
223	I	98.8	Very high	97.9	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.9	170.5	-52.4	-63.2	0	0	0	109.2	Y190 L200 I221 N225 L234 I242 L253 I254 D256 F274	Y190-I223 WeakPolarHBondContact OH-CD1 3.35Å; L200-I223 HydrophobicContact CD2-CD1 4.04Å; I221-I223 HydrophobicContact CD1-CD1 3.87Å; I221-I223 HydrophobicContact CG1-CD1 3.89Å; I221-I223 HydrophobicContact CG1-CG1 4.44Å; I223-N225 HydrophobicContact CG2-CB 4.41Å; I223-L234 HydrophobicContact CG2-CD1 3.46Å; I223-L234 VanDerWaalsContact CG2-CD1 3.46Å; I223-I242 HydrophobicContact CD1-CD1 3.91Å; I223-I242 HydrophobicContact CD1-CG1 4.34Å; I223-I242 HydrophobicContact CD1-CG2 3.98Å; I223-I242 HydrophobicContact CG1-CD1 4.31Å; I223-I242 HydrophobicContact CG1-CG2 3.94Å; I223-L253 HydrophobicContact CB-CD1 4.33Å; I223-L253 HydrophobicContact CG1-CD1 3.55Å; I223-I254 PolarHBondContact N-O 3.09Å; I223-D256 PolarHBondContact O-N 3.22Å; I223-F274 HydrophobicContact CB-CE2 3.87Å; I223-F274 HydrophobicContact CB-CZ 4Å; I223-F274 HydrophobicContact CG1-CE2 4.36Å; I223-F274 HydrophobicContact CG1-CZ 4Å; I223-F274 HydrophobicContact CG2-CE2 3.58Å; I223-F274 HydrophobicContact CG2-CZ 3.7Å
224	I	98.5	Very high	98	Very high	7 Å²	7	19 Å²	19	4%	0.036	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.7	176.5	-50.3	171.7	0	0	0	108.2	P169 Y176 V222 G227 D256	P169-I224 HydrophobicContact CG-CD1 4.2Å; P169-I224 HydrophobicContact CG-CG1 4.47Å; Y176-I224 HydrophobicContact CD2-CD1 4.01Å; Y176-I224 HydrophobicContact CE2-CD1 3.77Å; Y176-I224 HydrophobicContact CE2-CG1 4.02Å; V222-I224 HydrophobicContact CG1-CG1 4.31Å; I224-G227 WeakPolarHBondContact O-CA 3.26Å; I224-D256 HydrophobicContact CB-CB 4.3Å; I224-D256 HydrophobicContact CG1-CB 4.03Å; I224-D256 HydrophobicContact CG2-CB 4.23Å
225	N	98.3	Very high	98	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.104	C	C	.	.	S	Bend	trans	-147.4	115.1	-174.2	-174.8	37.3	0	0	0	112.7	I223 V233 L234 D256 W271	I223-N225 HydrophobicContact CG2-CB 4.41Å; N225-V233 WeakPolarHBondContact OD1-CA 3.36Å; N225-L234 HydrophobicContact CB-CD1 4.13Å; N225-L234 HydrophobicContact CB-CG 4.27Å; N225-L234 PolarHBondContact OD1-N 2.73Å; N225-D256 PolarHBondContact N-O 3.34Å; N225-W271 PolarHBondContact O-NE1 3.41Å; N225-W271 VanDerWaalsContact O-NE1 3.13Å
226	P	98.1	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	S	Bend	cis	-60.6	149.6	-2.8	-24.3	33.8	0	0	0	114.4	Q232 V233 Y259 V263 A396	P226-Q232 CarbonylContact C-O 3.54Å; P226-Q232 VanDerWaalsContact CA-O 3.29Å; P226-Q232 WeakPolarHBondContact CA-O 3.3Å; P226-V233 HydrophobicContact CB-CG2 4.16Å; P226-V233 HydrophobicContact CG-CG2 4.06Å; P226-Y259 VanDerWaalsContact CD-C 3.5Å; P226-Y259 WeakPolarHBondContact CG-O 3.33Å; P226-Y259 WeakPolarHBondContact O-CD2 3.05Å; P226-V263 HydrophobicContact CG-CG2 4.24Å; P226-A396 HydrophobicContact CB-CB 4.11Å
227	G	97.6	Very high	97.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	12%	0.124	C	C	.	.			trans	-80.6	146.1	-166.5	0	0	0	0	0	115.8	I224 G231 Q232 A396	I224-G227 WeakPolarHBondContact O-CA 3.26Å; G227-G231 WeakPolarHBondContact O-CA 3.44Å; G227-G231 PolarHBondContact O-N 2.86Å; G227-Q232 PolarHBondContact N-O 3Å; G227-A396 VanDerWaalsContact O-CB 3.3Å; G227-A396 WeakPolarHBondContact O-CB 3.41Å
228	N	97	Very high	97.9	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	121.5	166.2	173.5	6.9	0	0	0	107.7	Y173 Y259 Y398 R452	Y173-N228 WeakPolarHBondContact CD2-ND2 3.47Å; N228-Y259 HydrophobicContact CB-CE2 4.06Å; N228-Y398 HydrophobicContact CB-CD2 4.11Å; N228-Y398 HydrophobicContact CB-CE2 4.15Å; N228-R452 PolarHBondContact OD1-NH1 3.35Å; N228-R452 VanDerWaalsContact OD1-NH1 3.14Å
229	P	97.2	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.5	-3.2	16.4	37.7	-38.7	0	0	0	116.2	P171 Y398 F400 F442 R452	P171-P229 HydrophobicContact CB-CG 3.74Å; P171-P229 HydrophobicContact CG-CG 3.96Å; P229-Y398 WeakPolarHBondContact O-CB 3.14Å; P229-F400 HydrophobicContact CB-CB 4.36Å; P229-F400 HydrophobicContact CB-CD2 3.65Å; P229-F400 HydrophobicContact CB-CE2 4.13Å; P229-F400 HydrophobicContact CB-CG 4.14Å; P229-F400 HydrophobicContact CG-CB 4.37Å; P229-F400 HydrophobicContact CG-CD1 4.24Å; P229-F400 HydrophobicContact CG-CD2 3.52Å; P229-F400 HydrophobicContact CG-CE1 4.39Å; P229-F400 HydrophobicContact CG-CE2 3.69Å; P229-F400 HydrophobicContact CG-CG 3.8Å; P229-F400 HydrophobicContact CG-CZ 4.12Å; P229-F442 HydrophobicContact CB-CD1 4.06Å; P229-F442 HydrophobicContact CB-CE1 4.15Å; P229-F442 HydrophobicContact CB-CG 4.44Å; P229-F442 HydrophobicContact CG-CB 4.23Å; P229-F442 HydrophobicContact CG-CD1 3.91Å; P229-F442 HydrophobicContact CG-CE1 4.5Å; P229-F442 HydrophobicContact CG-CG 3.99Å; P229-R452 HydrophobicContact CB-CB 4.09Å; P229-R452 VanDerWaalsContact CB-CD 3.43Å; P229-R452 HydrophobicContact CB-CG 3.67Å
230	T	97.9	Very high	97.9	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.025	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.5	-159.7	36.1	0	0	0	0	115.8	P171 W198 Q232 F400	P171-T230 HydrophobicContact CG-CG2 3.34Å; W198-T230 HydrophobicContact CB-CG2 4.15Å; W198-T230 HydrophobicContact CD2-CG2 3.38Å; W198-T230 HydrophobicContact CE3-CG2 3.85Å; W198-T230 HydrophobicContact CG-CG2 3.53Å; W198-T230 HydrophobicContact CZ2-CG2 4.13Å; W198-T230 HydrophobicContact CZ3-CG2 4.38Å; T230-Q232 PolarHBondContact O-N 2.91Å; T230-Q232 PolarHBondContact OG1-NE2 3.44Å; T230-Q232 PolarHBondContact OG1-OE1 3.38Å; T230-F400 HydrophobicContact CG2-CB 4.08Å; T230-F400 HydrophobicContact CG2-CD1 3.98Å; T230-F400 HydrophobicContact CG2-CG 4.28Å
231	G	97.6	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.			trans	72.1	7.4	173.6	0	0	0	0	0	115.2	G227 Q394 G395	G227-G231 WeakPolarHBondContact O-CA 3.44Å; G227-G231 PolarHBondContact O-N 2.86Å; G231-Q394 CarbonylContact O-C 3.54Å; G231-Q394 WeakPolarHBondContact O-CA 3.35Å; G231-Q394 WeakPolarHBondContact O-CB 3.27Å; G231-Q394 PolarHBondContact O-N 3.38Å; G231-G395 PolarHBondContact O-N 3.13Å
232	Q	98.2	Very high	97.9	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.028	10%	0.1	C	C	.	.			trans	-76.5	155.3	178	83.9	-71.9	18.1	0	0	112.6	N197 W198 P226 G227 T230 L234	N197-Q232 VanDerWaalsContact O-CB 3.22Å; N197-Q232 WeakPolarHBondContact O-CB 3.35Å; W198-Q232 HydrophobicContact CB-CB 4.14Å; W198-Q232 HydrophobicContact CB-CG 4Å; W198-Q232 WeakPolarHBondContact O-CG 3.39Å; W198-Q232 PolarHBondContact O-NE2 3.35Å; P226-Q232 CarbonylContact C-O 3.54Å; P226-Q232 VanDerWaalsContact CA-O 3.29Å; P226-Q232 WeakPolarHBondContact CA-O 3.3Å; G227-Q232 PolarHBondContact N-O 3Å; T230-Q232 PolarHBondContact O-N 2.91Å; T230-Q232 PolarHBondContact OG1-NE2 3.44Å; T230-Q232 PolarHBondContact OG1-OE1 3.38Å; Q232-L234 HydrophobicContact CG-CD2 4.43Å
233	V	98.4	Very high	97.9	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.03	10%	0.1	C	C	.	.			trans	-112.9	122.2	166.8	177.9	0	0	0	0	107.1	N225 P226 P235 V263 W271 Q394	N225-V233 WeakPolarHBondContact OD1-CA 3.36Å; P226-V233 HydrophobicContact CB-CG2 4.16Å; P226-V233 HydrophobicContact CG-CG2 4.06Å; V233-P235 WeakPolarHBondContact O-CD 3.3Å; V233-V263 HydrophobicContact CG2-CG1 4.32Å; V233-V263 HydrophobicContact CG2-CG2 4.41Å; V233-W271 HydrophobicContact CG1-CB 3.94Å; V233-W271 HydrophobicContact CG1-CG 4.49Å; V233-Q394 HydrophobicContact CB-CB 4.34Å; V233-Q394 HydrophobicContact CG2-CB 3.88Å; V233-Q394 PolarHBondContact O-OE1 2.58Å
234	L	97.8	Very high	97.9	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.112	C	C	.	.			trans	-65.9	130.4	-177.6	-67.5	-179.8	0	0	0	110.9	I223 N225 Q232 M239 I242 F274	I223-L234 HydrophobicContact CG2-CD1 3.46Å; I223-L234 VanDerWaalsContact CG2-CD1 3.46Å; N225-L234 HydrophobicContact CB-CD1 4.13Å; N225-L234 HydrophobicContact CB-CG 4.27Å; N225-L234 PolarHBondContact OD1-N 2.73Å; Q232-L234 HydrophobicContact CG-CD2 4.43Å; L234-M239 HydrophobicContact CB-CG 4.04Å; L234-I242 HydrophobicContact CD1-CD1 4Å; L234-F274 HydrophobicContact CD1-CZ 4.39Å
235	P	96.2	Very high	97.9	Very high	72 Å²	72	22.6 Å²	22.6	47%	0.468	11%	0.112	S	C	.	.			trans	-60.4	145.2	169.7	-22.7	33.5	0	0	0	111.1	V233 K237 C238 M239	V233-P235 WeakPolarHBondContact O-CD 3.3Å; P235-K237 PolarHBondContact O-N 2.73Å; P235-K237 VanDerWaalsContact O-N 3.13Å; P235-C238 WeakPolarHBondContact O-CA 3.42Å; P235-C238 VanDerWaalsContact O-CB 3.26Å; P235-C238 WeakPolarHBondContact O-CB 3.38Å; P235-C238 PolarHBondContact O-N 2.84Å; P235-M239 PolarHBondContact O-N 3.43Å
236	Q	96.7	Very high	97.9	Very high	95 Å²	95	22.5 Å²	22.5	44%	0.444	11%	0.112	S	C	.	.	H	α-helix	trans	-53.1	-39.7	179.1	-177	-178.7	-42.6	0	0	112.4	C238 M239 E240 V277	Q236-C238 VanDerWaalsContact C-N 3.29Å; Q236-C238 PolarHBondContact O-N 2.92Å; Q236-M239 WeakPolarHBondContact O-CA 3.46Å; Q236-M239 WeakPolarHBondContact O-CB 3.1Å; Q236-M239 PolarHBondContact O-N 2.84Å; Q236-E240 HydrophobicContact CG-CG 4.47Å; Q236-E240 PolarHBondContact NE2-OE1 2.89Å; Q236-E240 WeakPolarHBondContact O-CG 3.23Å; Q236-E240 PolarHBondContact O-N 2.79Å; Q236-V277 HydrophobicContact CG-CG1 4.21Å; Q236-V277 HydrophobicContact CG-CG2 4.07Å
237	K	96.5	Very high	97.9	Very high	113 Å²	113	23.9 Å²	23.9	49%	0.491	12%	0.12	S	C	.	.	H	α-helix	trans	-58.4	-40.5	177.7	178	58	-174.7	147.8	0	112.8	P235 E240 D241	P235-K237 PolarHBondContact O-N 2.73Å; P235-K237 VanDerWaalsContact O-N 3.13Å; K237-E240 PolarHBondContact O-N 3.07Å; K237-D241 WeakPolarHBondContact CE-OD2 3.48Å; K237-D241 IonicContact NZ-OD1 3.17Å; K237-D241 PolarHBondContact NZ-OD1 3.47Å; K237-D241 IonicContact NZ-OD2 2.71Å; K237-D241 PolarHBondContact NZ-OD2 3.3Å; K237-D241 PolarHBondContact O-N 2.69Å; K237-D241 VanDerWaalsContact O-N 3.13Å
238	C	97.8	Very high	97.9	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.068	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-43.4	174.6	175.6	0	0	0	0	110.8	L200 P235 Q236 E240 D241 I242	L200-C238 PolarHBondContact O-SG 2.87Å; P235-C238 WeakPolarHBondContact O-CA 3.42Å; P235-C238 VanDerWaalsContact O-CB 3.26Å; P235-C238 WeakPolarHBondContact O-CB 3.38Å; P235-C238 PolarHBondContact O-N 2.84Å; Q236-C238 VanDerWaalsContact C-N 3.29Å; Q236-C238 PolarHBondContact O-N 2.92Å; C238-E240 PolarHBondContact O-N 2.87Å; C238-D241 PolarHBondContact O-N 3.47Å; C238-I242 WeakPolarHBondContact O-CD1 3.49Å; C238-I242 VanDerWaalsContact O-CG1 3.27Å; C238-I242 WeakPolarHBondContact O-CG1 3.39Å; C238-I242 PolarHBondContact O-N 3.01Å
239	M	98.7	Very high	98	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-41.2	176.6	-59.3	175	68.5	0	0	112.5	L234 P235 Q236 D241 I242 I243 A272 F274 V277	L234-M239 HydrophobicContact CB-CG 4.04Å; P235-M239 PolarHBondContact O-N 3.43Å; Q236-M239 WeakPolarHBondContact O-CA 3.46Å; Q236-M239 WeakPolarHBondContact O-CB 3.1Å; Q236-M239 PolarHBondContact O-N 2.84Å; M239-D241 VanDerWaalsContact C-N 3.34Å; M239-D241 PolarHBondContact O-N 3.47Å; M239-I242 PolarHBondContact O-N 3.48Å; M239-I243 WeakPolarHBondContact O-CD1 3.12Å; M239-I243 VanDerWaalsContact O-CG1 3.31Å; M239-I243 WeakPolarHBondContact O-CG1 3.36Å; M239-I243 PolarHBondContact O-N 2.99Å; M239-A272 VanDerWaalsContact CE-O 3.3Å; M239-A272 WeakPolarHBondContact CE-O 3.2Å; M239-F274 HydrophobicContact CB-CD1 4.44Å; M239-F274 HydrophobicContact CB-CE1 3.87Å; M239-F274 HydrophobicContact CB-CZ 4.24Å; M239-F274 HydrophobicContact CE-CB 4.37Å; M239-F274 HydrophobicContact CE-CD1 3.91Å; M239-F274 HydrophobicContact CE-CD2 3.78Å; M239-F274 HydrophobicContact CE-CE1 4.11Å; M239-F274 HydrophobicContact CE-CE2 3.97Å; M239-F274 HydrophobicContact CE-CG 3.77Å; M239-F274 HydrophobicContact CE-CZ 4.13Å; M239-F274 HydrophobicContact CG-CE1 4.14Å; M239-F274 HydrophobicContact CG-CZ 4.01Å; M239-V277 HydrophobicContact CB-CB 4.48Å; M239-V277 HydrophobicContact CB-CG1 4.08Å; M239-V277 HydrophobicContact CB-CG2 4.31Å; M239-V277 HydrophobicContact CE-CB 4.24Å; M239-V277 HydrophobicContact CE-CG2 3.57Å; M239-V277 HydrophobicContact SD-CG2 3.88Å
240	E	98.6	Very high	98	Very high	45 Å²	45	43.3 Å²	43.3	21%	0.21	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-39.9	175.8	-68.2	172	-169.5	0	0	112.3	Q236 K237 C238 I243 K244 V277 M281	Q236-E240 HydrophobicContact CG-CG 4.47Å; Q236-E240 PolarHBondContact NE2-OE1 2.89Å; Q236-E240 WeakPolarHBondContact O-CG 3.23Å; Q236-E240 PolarHBondContact O-N 2.79Å; K237-E240 PolarHBondContact O-N 3.07Å; C238-E240 PolarHBondContact O-N 2.87Å; E240-I243 PolarHBondContact O-N 2.92Å; E240-K244 WeakPolarHBondContact O-CG 3.15Å; E240-K244 PolarHBondContact O-N 3.37Å; E240-V277 HydrophobicContact CG-CG1 3.72Å; E240-M281 HydrophobicContact CB-CE 4.11Å; E240-M281 HydrophobicContact CB-SD 3.89Å; E240-M281 HydrophobicContact CG-CE 4.47Å; E240-M281 HydrophobicContact CG-CG 4.11Å; E240-M281 HydrophobicContact CG-SD 3.78Å
241	D	98.4	Very high	98.1	Very high	39 Å²	39	43.3 Å²	43.3	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-71.4	-35.1	179.1	-67.5	-20.1	0	0	0	111.5	A202 K237 C238 M239 K244 F245	A202-D241 HydrophobicContact CB-CB 4.36Å; K237-D241 WeakPolarHBondContact CE-OD2 3.48Å; K237-D241 IonicContact NZ-OD1 3.17Å; K237-D241 PolarHBondContact NZ-OD1 3.47Å; K237-D241 IonicContact NZ-OD2 2.71Å; K237-D241 PolarHBondContact NZ-OD2 3.3Å; K237-D241 PolarHBondContact O-N 2.69Å; K237-D241 VanDerWaalsContact O-N 3.13Å; C238-D241 PolarHBondContact O-N 3.47Å; M239-D241 VanDerWaalsContact C-N 3.34Å; M239-D241 PolarHBondContact O-N 3.47Å; D241-K244 IonicContact OD1-NZ 2.71Å; D241-F245 VanDerWaalsContact O-CB 3.31Å; D241-F245 WeakPolarHBondContact O-CB 3.29Å; D241-F245 PolarHBondContact O-N 3.37Å
242	I	98.8	Very high	98.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-46.7	169.6	-68	160.2	0	0	0	110.9	L200 L205 I223 L234 C238 M239 F245 A246 L253 F274	L200-I242 HydrophobicContact CD2-CD1 3.89Å; L200-I242 HydrophobicContact CD2-CG1 3.98Å; L205-I242 HydrophobicContact CD1-CG1 4.03Å; I223-I242 HydrophobicContact CD1-CD1 3.91Å; I223-I242 HydrophobicContact CD1-CG1 4.34Å; I223-I242 HydrophobicContact CD1-CG2 3.98Å; I223-I242 HydrophobicContact CG1-CD1 4.31Å; I223-I242 HydrophobicContact CG1-CG2 3.94Å; L234-I242 HydrophobicContact CD1-CD1 4Å; C238-I242 WeakPolarHBondContact O-CD1 3.49Å; C238-I242 VanDerWaalsContact O-CG1 3.27Å; C238-I242 WeakPolarHBondContact O-CG1 3.39Å; C238-I242 PolarHBondContact O-N 3.01Å; M239-I242 PolarHBondContact O-N 3.48Å; I242-F245 PolarHBondContact O-N 3.47Å; I242-A246 WeakPolarHBondContact O-CB 3.32Å; I242-A246 PolarHBondContact O-N 3.26Å; I242-L253 HydrophobicContact CG2-CD1 4.25Å; I242-F274 HydrophobicContact CB-CE1 4.34Å; I242-F274 HydrophobicContact CD1-CE1 4.48Å; I242-F274 HydrophobicContact CD1-CZ 4.09Å; I242-F274 HydrophobicContact CG2-CE1 4.07Å; I242-F274 HydrophobicContact CG2-CZ 4.4Å
243	I	98.8	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-46.6	179.5	-74	160.7	0	0	0	110.7	M239 E240 F245 A246 V247 L253 F274 V277 L278 M281 Y285 L289	M239-I243 WeakPolarHBondContact O-CD1 3.12Å; M239-I243 VanDerWaalsContact O-CG1 3.31Å; M239-I243 WeakPolarHBondContact O-CG1 3.36Å; M239-I243 PolarHBondContact O-N 2.99Å; E240-I243 PolarHBondContact O-N 2.92Å; I243-F245 PolarHBondContact O-N 3.25Å; I243-A246 PolarHBondContact O-N 3.04Å; I243-V247 WeakPolarHBondContact O-CG2 3.39Å; I243-V247 PolarHBondContact O-N 2.82Å; I243-L253 HydrophobicContact CG1-CD2 4.45Å; I243-F274 HydrophobicContact CD1-CD1 4.12Å; I243-F274 HydrophobicContact CG1-CD1 4.13Å; I243-F274 HydrophobicContact CG1-CE1 4.41Å; I243-V277 HydrophobicContact CD1-CB 4.07Å; I243-V277 HydrophobicContact CD1-CG1 3.75Å; I243-L278 HydrophobicContact CD1-CB 4.12Å; I243-L278 HydrophobicContact CG2-CD1 3.74Å; I243-M281 HydrophobicContact CB-CE 4.21Å; I243-M281 HydrophobicContact CB-SD 3.87Å; I243-M281 HydrophobicContact CD1-SD 3.72Å; I243-M281 HydrophobicContact CG1-SD 4.42Å; I243-M281 HydrophobicContact CG2-CE 3.84Å; I243-M281 HydrophobicContact CG2-SD 3.66Å; I243-Y285 HydrophobicContact CG2-CD1 3.92Å; I243-Y285 HydrophobicContact CG2-CG 4.23Å; I243-L289 HydrophobicContact CB-CD2 4.46Å; I243-L289 HydrophobicContact CG1-CD2 4.11Å; I243-L289 HydrophobicContact CG2-CD2 4.15Å
244	K	98.5	Very high	98.2	Very high	62 Å²	62	43 Å²	43	27%	0.27	21%	0.206	S	C	.	.	H	α-helix	trans	-56.8	-50.4	174.7	-74.7	165.5	-170	164.8	0	111.1	E240 D241 A246 V247 D248 M281 Y285	E240-K244 WeakPolarHBondContact O-CG 3.15Å; E240-K244 PolarHBondContact O-N 3.37Å; D241-K244 IonicContact OD1-NZ 2.71Å; K244-A246 VanDerWaalsContact C-N 3.33Å; K244-A246 PolarHBondContact O-N 3.37Å; K244-V247 PolarHBondContact O-N 3.35Å; K244-D248 WeakPolarHBondContact O-CB 3.35Å; K244-D248 PolarHBondContact O-N 3.24Å; K244-M281 HydrophobicContact CD-CE 4.41Å; K244-M281 HydrophobicContact CG-CE 3.88Å; K244-Y285 HydrophobicContact CB-CE1 4.36Å; K244-Y285 HydrophobicContact CG-CE1 3.57Å
245	F	98.7	Very high	98.2	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.048	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-44.4	179.4	177.5	-93.7	0	0	0	112.4	M167 L205 K206 L209 D241 I242 I243 N249 L251	M167-F245 HydrophobicContact CE-CE1 3.87Å; M167-F245 HydrophobicContact CE-CZ 3.99Å; M167-F245 HydrophobicContact SD-CE1 3.74Å; M167-F245 HydrophobicContact SD-CZ 4.15Å; L205-F245 HydrophobicContact CB-CD1 3.99Å; L205-F245 HydrophobicContact CB-CD2 3.76Å; L205-F245 HydrophobicContact CB-CE1 3.95Å; L205-F245 HydrophobicContact CB-CE2 3.72Å; L205-F245 HydrophobicContact CB-CG 3.89Å; L205-F245 HydrophobicContact CB-CZ 3.81Å; L205-F245 HydrophobicContact CD1-CB 3.96Å; L205-F245 HydrophobicContact CD1-CD1 3.92Å; L205-F245 HydrophobicContact CD1-CD2 4.47Å; L205-F245 HydrophobicContact CD1-CG 3.85Å; L205-F245 HydrophobicContact CD2-CD1 4.39Å; L205-F245 HydrophobicContact CD2-CE1 4.35Å; L205-F245 HydrophobicContact CG-CD1 4.34Å; L205-F245 HydrophobicContact CG-CG 4.44Å; L205-F245 WeakPolarHBondContact O-CZ 3.16Å; K206-F245 HydrophobicContact CG-CD2 4.39Å; K206-F245 HydrophobicContact CG-CE2 4.18Å; L209-F245 HydrophobicContact CB-CZ 4.01Å; L209-F245 HydrophobicContact CD2-CE2 4.31Å; L209-F245 HydrophobicContact CD2-CZ 3.77Å; L209-F245 HydrophobicContact CG-CZ 4.48Å; D241-F245 VanDerWaalsContact O-CB 3.31Å; D241-F245 WeakPolarHBondContact O-CB 3.29Å; D241-F245 PolarHBondContact O-N 3.37Å; I242-F245 PolarHBondContact O-N 3.47Å; I243-F245 PolarHBondContact O-N 3.25Å; F245-N249 WeakPolarHBondContact CD2-ND2 3.33Å; F245-N249 WeakPolarHBondContact CE2-ND2 3.26Å; F245-N249 WeakPolarHBondContact O-CB 2.9Å; F245-N249 PolarHBondContact O-N 3.42Å; F245-N249 PolarHBondContact O-ND2 2.78Å; F245-L251 HydrophobicContact CD1-CD1 4.2Å; F245-L251 HydrophobicContact CE1-CD1 3.61Å; F245-L251 HydrophobicContact CZ-CD1 4.45Å
246	A	98.7	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-41.8	179.2	0	0	0	0	0	112.1	I221 I242 I243 K244 R250 L251 L289	I221-A246 HydrophobicContact CG2-CB 4.19Å; I242-A246 WeakPolarHBondContact O-CB 3.32Å; I242-A246 PolarHBondContact O-N 3.26Å; I243-A246 PolarHBondContact O-N 3.04Å; K244-A246 VanDerWaalsContact C-N 3.33Å; K244-A246 PolarHBondContact O-N 3.37Å; A246-R250 WeakPolarHBondContact O-CA 3.04Å; A246-R250 PolarHBondContact O-N 2.93Å; A246-L251 HydrophobicContact CB-CB 4.34Å; A246-L251 PolarHBondContact O-N 2.96Å; A246-L289 HydrophobicContact CB-CD1 3.64Å
247	V	98.4	Very high	98.4	Very high	28 Å²	28	35.3 Å²	35.3	17%	0.17	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-48.8	175.3	171.2	0	0	0	0	111.4	I243 K244 N249 R250 Y285 K288 L289	I243-V247 WeakPolarHBondContact O-CG2 3.39Å; I243-V247 PolarHBondContact O-N 2.82Å; K244-V247 PolarHBondContact O-N 3.35Å; V247-N249 PolarHBondContact O-N 2.99Å; V247-R250 PolarHBondContact O-N 3.24Å; V247-Y285 HydrophobicContact CB-CD1 4.44Å; V247-Y285 HydrophobicContact CG2-CD1 4.11Å; V247-K288 HydrophobicContact CG1-CD 4.43Å; V247-L289 HydrophobicContact CG2-CB 3.88Å; V247-L289 HydrophobicContact CG2-CD1 4.19Å
248	D	97.9	Very high	98.5	Very high	124 Å²	124	30.5 Å²	30.5	66%	0.663	14%	0.144	S	C	*	.	H	α-helix	trans	-62.6	-32.2	-177.4	-70.6	-16.5	0	0	0	112.3	K244	K244-D248 WeakPolarHBondContact O-CB 3.35Å; K244-D248 PolarHBondContact O-N 3.24Å
249	N	98.2	Very high	98.5	Very high	68 Å²	68	30.4 Å²	30.4	36%	0.364	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	7	-179	-63.1	-83.6	0	0	0	113.7	L209 F245 V247 L251	L209-N249 HydrophobicContact CD2-CB 3.92Å; L209-N249 VanDerWaalsContact CD2-OD1 3.26Å; L209-N249 WeakPolarHBondContact CD2-OD1 3.5Å; F245-N249 WeakPolarHBondContact CD2-ND2 3.33Å; F245-N249 WeakPolarHBondContact CE2-ND2 3.26Å; F245-N249 WeakPolarHBondContact O-CB 2.9Å; F245-N249 PolarHBondContact O-N 3.42Å; F245-N249 PolarHBondContact O-ND2 2.78Å; V247-N249 PolarHBondContact O-N 2.99Å; N249-L251 HydrophobicContact CB-CD1 4.15Å; N249-L251 HydrophobicContact CB-CG 4.08Å; N249-L251 PolarHBondContact O-N 3.45Å
250	R	97.8	Very high	98.4	Very high	222 Å²	222	30.9 Å²	30.9	84%	0.838	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	49.1	179.3	-57.8	-179.8	60.6	-143.1	-5.1	113.5	A246 V247	A246-R250 WeakPolarHBondContact O-CA 3.04Å; A246-R250 PolarHBondContact O-N 2.93Å; V247-R250 PolarHBondContact O-N 3.24Å
251	L	98.7	Very high	98.2	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-102.4	135.3	177.6	-57.3	173.7	0	0	0	110.2	M167 P218 I221 F245 A246 N249 L289	M167-L251 HydrophobicContact SD-CD1 3.67Å; P218-L251 HydrophobicContact CB-CD2 3.71Å; I221-L251 HydrophobicContact CB-CD1 4.44Å; I221-L251 HydrophobicContact CG2-CB 4.26Å; I221-L251 HydrophobicContact CG2-CD1 4.47Å; F245-L251 HydrophobicContact CD1-CD1 4.2Å; F245-L251 HydrophobicContact CE1-CD1 3.61Å; F245-L251 HydrophobicContact CZ-CD1 4.45Å; A246-L251 HydrophobicContact CB-CB 4.34Å; A246-L251 PolarHBondContact O-N 2.96Å; N249-L251 HydrophobicContact CB-CD1 4.15Å; N249-L251 HydrophobicContact CB-CG 4.08Å; N249-L251 PolarHBondContact O-N 3.45Å; L251-L289 WeakPolarHBondContact O-CD1 3.44Å
252	M	98.7	Very high	98.1	Very high	5 Å²	5	30 Å²	30	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	133.6	164	180	-177.2	68	0	0	109.4	M153 I154 K219 A220 I221 I254 E290 F317	M153-M252 HydrophobicContact CE-SD 4.09Å; I154-M252 HydrophobicContact CD1-CE 4.42Å; I154-M252 HydrophobicContact CG2-CE 3.51Å; I154-M252 HydrophobicContact CG2-SD 4.36Å; K219-M252 PolarHBondContact O-N 2.86Å; A220-M252 CarbonylContact C-O 3.58Å; A220-M252 WeakPolarHBondContact CA-O 3.47Å; A220-M252 HydrophobicContact CB-CB 4.38Å; A220-M252 HydrophobicContact CB-CE 3.92Å; I221-M252 PolarHBondContact N-O 3.34Å; M252-I254 HydrophobicContact CE-CD1 3.69Å; M252-I254 HydrophobicContact CE-CG1 3.68Å; M252-E290 WeakPolarHBondContact CA-O 3.36Å; M252-E290 HydrophobicContact CB-CB 4.28Å; M252-E290 HydrophobicContact CG-CB 4.11Å; M252-F317 HydrophobicContact CG-CZ 4.02Å; M252-F317 HydrophobicContact SD-CE1 3.65Å; M252-F317 HydrophobicContact SD-CZ 3.44Å; M252-F317 WeakPolarHBondContact SD-CZ 3.19Å
253	L	98.9	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118	174.5	176.1	59.2	0	0	0	110.1	I221 I223 I242 I243 F274 L289 E290 L291 A292	I221-L253 HydrophobicContact CG2-CB 4.49Å; I221-L253 HydrophobicContact CG2-CD1 3.9Å; I223-L253 HydrophobicContact CB-CD1 4.33Å; I223-L253 HydrophobicContact CG1-CD1 3.55Å; I242-L253 HydrophobicContact CG2-CD1 4.25Å; I243-L253 HydrophobicContact CG1-CD2 4.45Å; L253-F274 HydrophobicContact CD2-CB 4.32Å; L253-F274 HydrophobicContact CD2-CD1 3.45Å; L253-F274 VanDerWaalsContact CD2-CD1 3.45Å; L253-F274 HydrophobicContact CD2-CE1 3.86Å; L253-F274 HydrophobicContact CD2-CG 3.92Å; L253-L289 HydrophobicContact CB-CD1 4.23Å; L253-L289 HydrophobicContact CB-CD2 4.1Å; L253-L289 HydrophobicContact CB-CG 4.35Å; L253-L289 HydrophobicContact CD2-CD2 3.88Å; L253-E290 PolarHBondContact N-O 3.38Å; L253-L291 HydrophobicContact CB-CD1 4.19Å; L253-L291 HydrophobicContact CD2-CD1 3.97Å; L253-L291 HydrophobicContact CG-CD1 3.85Å; L253-L291 WeakPolarHBondContact O-CA 3.27Å; L253-L291 WeakPolarHBondContact O-CD1 3.44Å; L253-A292 PolarHBondContact O-N 3.21Å
254	I	98.9	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	107.7	169.4	-56.2	177.6	0	0	0	107.6	L150 L151 A220 I221 V222 I223 M252 L294	L150-I254 HydrophobicContact CB-CD1 4.16Å; L150-I254 HydrophobicContact CD1-CG2 4.24Å; L151-I254 HydrophobicContact CD2-CD1 3.85Å; A220-I254 HydrophobicContact CB-CD1 4.4Å; I221-I254 PolarHBondContact O-N 3.43Å; V222-I254 CarbonylContact C-O 3.59Å; V222-I254 WeakPolarHBondContact CA-O 3.49Å; V222-I254 HydrophobicContact CG2-CB 4.18Å; V222-I254 HydrophobicContact CG2-CD1 4.16Å; I223-I254 PolarHBondContact N-O 3.09Å; M252-I254 HydrophobicContact CE-CD1 3.69Å; M252-I254 HydrophobicContact CE-CG1 3.68Å; I254-L294 HydrophobicContact CG2-CD1 3.53Å; I254-L294 HydrophobicContact CG2-CG 4.46Å
255	A	98.8	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	107	178.1	0	0	0	0	0	110.5	E257 F274 L291 A292 L294	A255-E257 HydrophobicContact CB-CG 4.07Å; A255-E257 PolarHBondContact O-N 3.46Å; A255-F274 HydrophobicContact CB-CB 4.03Å; A255-F274 HydrophobicContact CB-CD2 3.65Å; A255-F274 HydrophobicContact CB-CE2 4.48Å; A255-F274 HydrophobicContact CB-CG 4.09Å; A255-L291 HydrophobicContact CB-CD1 3.84Å; A255-A292 PolarHBondContact N-O 3.01Å; A255-L294 PolarHBondContact O-N 3.27Å
256	D	98.7	Very high	97.5	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	98.1	172.5	-164.9	-26.3	0	0	0	110.2	Y176 I223 I224 N225 V258 L294	Y176-D256 VanDerWaalsContact OH-CB 3.27Å; Y176-D256 WeakPolarHBondContact OH-CB 3.29Å; Y176-D256 VanDerWaalsContact OH-CG 3.32Å; Y176-D256 PolarHBondContact OH-OD2 2.96Å; I223-D256 PolarHBondContact O-N 3.22Å; I224-D256 HydrophobicContact CB-CB 4.3Å; I224-D256 HydrophobicContact CG1-CB 4.03Å; I224-D256 HydrophobicContact CG2-CB 4.23Å; N225-D256 PolarHBondContact N-O 3.34Å; D256-V258 VanDerWaalsContact OD1-CG1 3.26Å; D256-V258 WeakPolarHBondContact OD1-CG1 3.1Å; D256-V258 VanDerWaalsContact OD1-CG2 3.29Å; D256-V258 WeakPolarHBondContact OD1-CG2 3.21Å; D256-L294 HydrophobicContact CB-CD1 4.47Å
257	E	98.3	Very high	97.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.209	C	C	.	.			trans	-112.7	26.1	-172.3	-60.1	-177.6	141.7	0	0	111.4	R127 A255 Y259 Q260 W271 S273 F274 S293 L294	R127-E257 IonicContact NH1-OE2 2.76Å; A255-E257 HydrophobicContact CB-CG 4.07Å; A255-E257 PolarHBondContact O-N 3.46Å; E257-Y259 PolarHBondContact O-N 2.9Å; E257-Y259 VanDerWaalsContact O-N 3.12Å; E257-Q260 VanDerWaalsContact O-CB 3.3Å; E257-Q260 WeakPolarHBondContact O-CB 3.38Å; E257-Q260 WeakPolarHBondContact O-CG 3.39Å; E257-Q260 PolarHBondContact O-N 3.34Å; E257-Q260 VanDerWaalsContact O-N 3.1Å; E257-Q260 PolarHBondContact O-NE2 2.6Å; E257-W271 HydrophobicContact CB-CZ2 4.1Å; E257-W271 HydrophobicContact CG-CZ2 4.18Å; E257-S273 WeakPolarHBondContact OE1-CA 3.43Å; E257-F274 PolarHBondContact OE1-N 2.87Å; E257-S293 PolarHBondContact OE2-OG 3.15Å; E257-L294 CarbonylContact C-O 3.42Å; E257-L294 WeakPolarHBondContact CA-O 3.29Å; E257-L294 PolarHBondContact N-O 2.78Å
258	V	97.9	Very high	97.2	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.079	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.4	-177.6	-62.6	0	0	0	0	113.1	A143 D256 K299	A143-V258 HydrophobicContact CB-CG1 3.6Å; D256-V258 VanDerWaalsContact OD1-CG1 3.26Å; D256-V258 WeakPolarHBondContact OD1-CG1 3.1Å; D256-V258 VanDerWaalsContact OD1-CG2 3.29Å; D256-V258 WeakPolarHBondContact OD1-CG2 3.21Å; V258-K299 HydrophobicContact CB-CB 4.48Å; V258-K299 HydrophobicContact CB-CG 4.13Å; V258-K299 HydrophobicContact CG2-CG 3.98Å; V258-K299 WeakPolarHBondContact O-CB 3.03Å
259	Y	97.5	Very high	97.1	Very high	8 Å²	8	43 Å²	43	3%	0.031	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	10.9	179.2	-64.4	-68.8	0	0	0	113.9	P226 N228 E257 Q261 N262 K299 A396 M397 Y398	P226-Y259 VanDerWaalsContact CD-C 3.5Å; P226-Y259 WeakPolarHBondContact CG-O 3.33Å; P226-Y259 WeakPolarHBondContact O-CD2 3.05Å; N228-Y259 HydrophobicContact CB-CE2 4.06Å; E257-Y259 PolarHBondContact O-N 2.9Å; E257-Y259 VanDerWaalsContact O-N 3.12Å; Y259-Q261 PolarHBondContact O-N 3.33Å; Y259-N262 WeakPolarHBondContact O-CA 3.45Å; Y259-N262 WeakPolarHBondContact O-CB 3.14Å; Y259-N262 PolarHBondContact O-N 3.05Å; Y259-K299 HydrophobicContact CD1-CB 3.83Å; Y259-K299 HydrophobicContact CD1-CG 4.21Å; Y259-K299 HydrophobicContact CE1-CB 3.72Å; Y259-K299 HydrophobicContact CE1-CD 3.66Å; Y259-K299 HydrophobicContact CE1-CG 3.68Å; Y259-A396 HydrophobicContact CD1-CB 3.86Å; Y259-A396 HydrophobicContact CD2-CB 3.83Å; Y259-A396 HydrophobicContact CE1-CB 4.26Å; Y259-A396 HydrophobicContact CE2-CB 4.27Å; Y259-A396 HydrophobicContact CG-CB 3.63Å; Y259-M397 HydrophobicContact CD1-CG 4.14Å; Y259-M397 HydrophobicContact CE1-CB 4.39Å; Y259-M397 HydrophobicContact CE1-CE 3.79Å; Y259-M397 HydrophobicContact CE1-CG 3.73Å; Y259-M397 HydrophobicContact CE1-SD 3.92Å; Y259-Y398 VanDerWaalsContact OH-CE2 3.32Å; Y259-Y398 WeakPolarHBondContact OH-CE2 3.34Å
260	Q	97	Very high	97	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.047	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.1	-173.5	65.2	-169.7	-86.6	0	0	116	R127 E257 W271 M295	R127-Q260 VanDerWaalsContact CD-OE1 3.26Å; E257-Q260 VanDerWaalsContact O-CB 3.3Å; E257-Q260 WeakPolarHBondContact O-CB 3.38Å; E257-Q260 WeakPolarHBondContact O-CG 3.39Å; E257-Q260 PolarHBondContact O-N 3.34Å; E257-Q260 VanDerWaalsContact O-N 3.1Å; E257-Q260 PolarHBondContact O-NE2 2.6Å; Q260-W271 HydrophobicContact CB-CD2 4.14Å; Q260-W271 HydrophobicContact CB-CE3 4.28Å; Q260-W271 HydrophobicContact CB-CH2 3.5Å; Q260-W271 HydrophobicContact CB-CZ2 3.33Å; Q260-W271 HydrophobicContact CB-CZ3 3.99Å; Q260-W271 HydrophobicContact CG-CH2 4.41Å; Q260-M295 VanDerWaalsContact NE2-CG 3.3Å
261	Q	94.7	Very high	97	Very high	65 Å²	65	35.4 Å²	35.4	30%	0.304	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-7.9	176.7	-63.2	-64.1	-45.3	0	0	113.2	Y123 Y259 Y301 M302 L368	Y123-Q261 PolarHBondContact OH-NE2 3.15Å; Y259-Q261 PolarHBondContact O-N 3.33Å; Q261-Y301 HydrophobicContact CB-CD1 4.23Å; Q261-Y301 HydrophobicContact CB-CE1 4.36Å; Q261-Y301 HydrophobicContact CG-CE1 4.27Å; Q261-M302 HydrophobicContact CB-CE 4.19Å; Q261-M302 HydrophobicContact CG-CE 4.06Å; Q261-L368 VanDerWaalsContact O-CD2 3.3Å; Q261-L368 WeakPolarHBondContact O-CD2 3.19Å
262	N	95.4	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.			trans	-104	81.3	-178	-78.7	33.6	0	0	0	110	Y259 G300 G395 A396	Y259-N262 WeakPolarHBondContact O-CA 3.45Å; Y259-N262 WeakPolarHBondContact O-CB 3.14Å; Y259-N262 PolarHBondContact O-N 3.05Å; N262-G300 WeakPolarHBondContact ND2-CA 3.34Å; N262-G300 WeakPolarHBondContact OD1-CA 3.45Å; N262-G395 CarbonylContact O-C 3.58Å; N262-G395 WeakPolarHBondContact O-CA 3.48Å; N262-A396 WeakPolarHBondContact CB-O 3.3Å; N262-A396 PolarHBondContact ND2-O 3.34Å; N262-A396 PolarHBondContact O-N 3.4Å
263	V	97.5	Very high	97	Very high	28 Å²	28	35.8 Å²	35.8	17%	0.17	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-132.2	117.9	177	-178.1	0	0	0	0	107.2	P226 V233 P266 Y269 W271	P226-V263 HydrophobicContact CG-CG2 4.24Å; V233-V263 HydrophobicContact CG2-CG1 4.32Å; V233-V263 HydrophobicContact CG2-CG2 4.41Å; V263-P266 HydrophobicContact CG1-CB 4.13Å; V263-Y269 WeakPolarHBondContact CG1-O 3.41Å; V263-W271 HydrophobicContact CG2-CB 3.61Å; V263-W271 HydrophobicContact CG2-CG 4.2Å
264	Y	96.4	Very high	97	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.027	19%	0.186	C	C	.	.	S	Bend	trans	-93.1	-24	-166	-57.5	-47.1	0	0	0	113.6	L371 K372 A375 V393 Q394 A396 I455	Y264-L371 HydrophobicContact CD1-CB 4.41Å; Y264-L371 HydrophobicContact CE1-CB 3.46Å; Y264-L371 VanDerWaalsContact CE1-CB 3.46Å; Y264-K372 HydrophobicContact CD1-CB 3.91Å; Y264-K372 HydrophobicContact CG-CB 4.26Å; Y264-K372 VanDerWaalsContact O-CD 3.3Å; Y264-K372 WeakPolarHBondContact O-CD 3.26Å; Y264-K372 VanDerWaalsContact O-CE 3.26Å; Y264-K372 WeakPolarHBondContact O-CE 3.31Å; Y264-A375 HydrophobicContact CD2-CB 3.7Å; Y264-A375 HydrophobicContact CE2-CB 3.9Å; Y264-A375 HydrophobicContact CG-CB 4.32Å; Y264-V393 HydrophobicContact CD2-CG1 4.26Å; Y264-V393 WeakPolarHBondContact CD2-O 3.44Å; Y264-V393 HydrophobicContact CE2-CG1 3.9Å; Y264-Q394 PolarHBondContact N-O 3.49Å; Y264-A396 PolarHBondContact OH-O 2.95Å; Y264-I455 HydrophobicContact CE2-CD1 3.75Å; Y264-I455 WeakPolarHBondContact OH-CD1 3.39Å
265	Q	93.8	Very high	97	Very high	58 Å²	58	35.8 Å²	35.8	27%	0.271	19%	0.186	S	C	.	.			trans	-132.1	63	178.4	-56.8	178	-85.1	0	0	109.7	D267 K268 Y269	Q265-D267 PolarHBondContact O-N 2.84Å; Q265-D267 VanDerWaalsContact O-N 3.15Å; Q265-K268 HydrophobicContact CB-CB 4.22Å; Q265-K268 PolarHBondContact O-N 3.21Å; Q265-Y269 HydrophobicContact CB-CD2 3.94Å; Q265-Y269 HydrophobicContact CB-CE2 4.37Å; Q265-Y269 PolarHBondContact O-N 2.86Å
266	P	94.3	Very high	96.9	Very high	68 Å²	68	39.7 Å²	39.7	44%	0.442	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.5	-172.9	24.8	-35.2	0	0	0	113.7	V263 K268 P270	V263-P266 HydrophobicContact CG1-CB 4.13Å; P266-K268 VanDerWaalsContact C-N 3.3Å; P266-K268 PolarHBondContact O-N 3.46Å; P266-P270 WeakPolarHBondContact O-CA 3.34Å; P266-P270 WeakPolarHBondContact O-CB 3.37Å; P266-P270 VanDerWaalsContact O-N 3.17Å
267	D	96	Very high	96.9	Very high	167 Å²	167	39.4 Å²	39.4	89%	0.893	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-27.6	175.6	-56.7	-40.6	0	0	0	112.8	Q265	Q265-D267 PolarHBondContact O-N 2.84Å; Q265-D267 VanDerWaalsContact O-N 3.15Å
268	K	95.6	Very high	97	Very high	135 Å²	135	39.3 Å²	39.3	59%	0.587	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-38	-179.7	-170.6	178.4	179.9	-170.8	0	112.3	Q265 P266	Q265-K268 HydrophobicContact CB-CB 4.22Å; Q265-K268 PolarHBondContact O-N 3.21Å; P266-K268 VanDerWaalsContact C-N 3.3Å; P266-K268 PolarHBondContact O-N 3.46Å
269	Y	95.4	Very high	97	Very high	36 Å²	36	42.3 Å²	42.3	14%	0.141	21%	0.213	C	C	.	.	S	Bend	trans	-128.1	71.5	-178.7	-48.4	-62.8	0	0	0	109	V263 Q265 W271 Q394	V263-Y269 WeakPolarHBondContact CG1-O 3.41Å; Q265-Y269 HydrophobicContact CB-CD2 3.94Å; Q265-Y269 HydrophobicContact CB-CE2 4.37Å; Q265-Y269 PolarHBondContact O-N 2.86Å; Y269-W271 PolarHBondContact O-N 2.75Å; Y269-Q394 HydrophobicContact CD1-CG 4.4Å; Y269-Q394 HydrophobicContact CD2-CB 3.79Å; Y269-Q394 HydrophobicContact CD2-CG 3.56Å; Y269-Q394 HydrophobicContact CE1-CG 4.49Å; Y269-Q394 HydrophobicContact CE2-CB 4.33Å; Y269-Q394 HydrophobicContact CE2-CG 3.65Å; Y269-Q394 HydrophobicContact CG-CB 4.15Å; Y269-Q394 HydrophobicContact CG-CG 3.96Å
270	P	96.8	Very high	97	Very high	86 Å²	86	47 Å²	47	56%	0.558	24%	0.239	S	C	*	.			trans	-64.6	131.3	-179.6	26.6	-34.4	0	0	0	110	P266	P266-P270 WeakPolarHBondContact O-CA 3.34Å; P266-P270 WeakPolarHBondContact O-CB 3.37Å; P266-P270 VanDerWaalsContact O-N 3.17Å
271	W	97.8	Very high	97.1	Very high	46 Å²	46	48.1 Å²	48.1	17%	0.174	24%	0.244	C	C	.	.			trans	-88.9	142.1	171.8	179.6	90.6	0	0	0	110.6	R127 N225 V233 E257 Q260 V263 Y269	R127-W271 HydrophobicContact CG-CZ3 4.42Å; N225-W271 PolarHBondContact O-NE1 3.41Å; N225-W271 VanDerWaalsContact O-NE1 3.13Å; V233-W271 HydrophobicContact CG1-CB 3.94Å; V233-W271 HydrophobicContact CG1-CG 4.49Å; E257-W271 HydrophobicContact CB-CZ2 4.1Å; E257-W271 HydrophobicContact CG-CZ2 4.18Å; Q260-W271 HydrophobicContact CB-CD2 4.14Å; Q260-W271 HydrophobicContact CB-CE3 4.28Å; Q260-W271 HydrophobicContact CB-CH2 3.5Å; Q260-W271 HydrophobicContact CB-CZ2 3.33Å; Q260-W271 HydrophobicContact CB-CZ3 3.99Å; Q260-W271 HydrophobicContact CG-CH2 4.41Å; V263-W271 HydrophobicContact CG2-CB 3.61Å; V263-W271 HydrophobicContact CG2-CG 4.2Å; Y269-W271 PolarHBondContact O-N 2.75Å
272	A	98.1	Very high	97.3	Very high	17 Å²	17	45.9 Å²	45.9	14%	0.14	24%	0.239	C	C	.	.			trans	-134.9	151.3	168.3	0	0	0	0	0	109	M239 V277	M239-A272 VanDerWaalsContact CE-O 3.3Å; M239-A272 WeakPolarHBondContact CE-O 3.2Å; A272-V277 HydrophobicContact CB-CG2 3.95Å
273	S	98.7	Very high	97.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.			trans	-73.1	150.5	170.7	67.2	0	0	0	0	110.8	R127 D128 E257 K275 K276 V277	R127-S273 VanDerWaalsContact NH2-CB 3.31Å; D128-S273 PolarHBondContact OD1-OG 3.43Å; D128-S273 PolarHBondContact OD2-OG 3.15Å; D128-S273 VanDerWaalsContact OD2-OG 3.11Å; E257-S273 WeakPolarHBondContact OE1-CA 3.43Å; S273-K275 PolarHBondContact O-N 3.13Å; S273-K276 PolarHBondContact O-N 3Å; S273-K276 VanDerWaalsContact O-N 3.13Å; S273-K276 VanDerWaalsContact OG-CB 3.28Å; S273-K276 WeakPolarHBondContact OG-CB 3.5Å; S273-K276 PolarHBondContact OG-N 2.77Å; S273-V277 PolarHBondContact O-N 2.91Å; S273-V277 VanDerWaalsContact O-N 3.09Å
274	F	98.8	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-32.9	171	-90.5	-79.6	0	0	0	111.9	I223 L234 M239 I242 I243 L253 A255 E257 V277 L278 L291	I223-F274 HydrophobicContact CB-CE2 3.87Å; I223-F274 HydrophobicContact CB-CZ 4Å; I223-F274 HydrophobicContact CG1-CE2 4.36Å; I223-F274 HydrophobicContact CG1-CZ 4Å; I223-F274 HydrophobicContact CG2-CE2 3.58Å; I223-F274 HydrophobicContact CG2-CZ 3.7Å; L234-F274 HydrophobicContact CD1-CZ 4.39Å; M239-F274 HydrophobicContact CB-CD1 4.44Å; M239-F274 HydrophobicContact CB-CE1 3.87Å; M239-F274 HydrophobicContact CB-CZ 4.24Å; M239-F274 HydrophobicContact CE-CB 4.37Å; M239-F274 HydrophobicContact CE-CD1 3.91Å; M239-F274 HydrophobicContact CE-CD2 3.78Å; M239-F274 HydrophobicContact CE-CE1 4.11Å; M239-F274 HydrophobicContact CE-CE2 3.97Å; M239-F274 HydrophobicContact CE-CG 3.77Å; M239-F274 HydrophobicContact CE-CZ 4.13Å; M239-F274 HydrophobicContact CG-CE1 4.14Å; M239-F274 HydrophobicContact CG-CZ 4.01Å; I242-F274 HydrophobicContact CB-CE1 4.34Å; I242-F274 HydrophobicContact CD1-CE1 4.48Å; I242-F274 HydrophobicContact CD1-CZ 4.09Å; I242-F274 HydrophobicContact CG2-CE1 4.07Å; I242-F274 HydrophobicContact CG2-CZ 4.4Å; I243-F274 HydrophobicContact CD1-CD1 4.12Å; I243-F274 HydrophobicContact CG1-CD1 4.13Å; I243-F274 HydrophobicContact CG1-CE1 4.41Å; L253-F274 HydrophobicContact CD2-CB 4.32Å; L253-F274 HydrophobicContact CD2-CD1 3.45Å; L253-F274 VanDerWaalsContact CD2-CD1 3.45Å; L253-F274 HydrophobicContact CD2-CE1 3.86Å; L253-F274 HydrophobicContact CD2-CG 3.92Å; A255-F274 HydrophobicContact CB-CB 4.03Å; A255-F274 HydrophobicContact CB-CD2 3.65Å; A255-F274 HydrophobicContact CB-CE2 4.48Å; A255-F274 HydrophobicContact CB-CG 4.09Å; E257-F274 PolarHBondContact OE1-N 2.87Å; F274-V277 PolarHBondContact O-N 3.13Å; F274-L278 WeakPolarHBondContact O-CB 3.3Å; F274-L278 PolarHBondContact O-N 2.6Å; F274-L291 HydrophobicContact CB-CD1 4.17Å; F274-L291 HydrophobicContact CB-CD2 4.08Å
275	K	98.7	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-49.7	172.5	-179.6	174.5	-172.4	179.1	0	111.3	I124 I130 E131 S273 V277 L278 F279 L291 E313 L315	I124-K275 HydrophobicContact CG2-CD 3.89Å; I130-K275 HydrophobicContact CD1-CG 4.32Å; E131-K275 WeakPolarHBondContact O-CE 3.44Å; E131-K275 PolarHBondContact O-NZ 3.21Å; S273-K275 PolarHBondContact O-N 3.13Å; K275-V277 PolarHBondContact O-N 3.48Å; K275-L278 PolarHBondContact O-N 2.92Å; K275-F279 HydrophobicContact CG-CD2 4.06Å; K275-F279 HydrophobicContact CG-CE2 4.09Å; K275-F279 VanDerWaalsContact O-CD2 3.3Å; K275-F279 WeakPolarHBondContact O-CD2 3.33Å; K275-F279 PolarHBondContact O-N 2.91Å; K275-L291 HydrophobicContact CB-CD2 4.3Å; K275-E313 VanDerWaalsContact CD-OE2 3.3Å; K275-E313 WeakPolarHBondContact CD-OE2 3.48Å; K275-E313 IonicContact NZ-OE1 3.59Å; K275-E313 PolarHBondContact NZ-OE1 2.9Å; K275-E313 IonicContact NZ-OE2 2.78Å; K275-E313 PolarHBondContact NZ-OE2 3.27Å; K275-L315 HydrophobicContact CB-CD1 4.21Å; K275-L315 HydrophobicContact CD-CD1 3.88Å; K275-L315 HydrophobicContact CG-CD1 3.77Å
276	K	98.6	Very high	97.5	Very high	81 Å²	81	53.3 Å²	53.3	35%	0.352	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-47.6	179.4	-173.4	173.1	-174.8	171.6	0	112	D128 I130 S273 F279 N280	D128-K276 HydrophobicContact CB-CB 4.29Å; I130-K276 HydrophobicContact CD1-CB 4.47Å; S273-K276 PolarHBondContact O-N 3Å; S273-K276 VanDerWaalsContact O-N 3.13Å; S273-K276 VanDerWaalsContact OG-CB 3.28Å; S273-K276 WeakPolarHBondContact OG-CB 3.5Å; S273-K276 PolarHBondContact OG-N 2.77Å; K276-F279 PolarHBondContact O-N 3.28Å; K276-N280 WeakPolarHBondContact O-CB 3.39Å; K276-N280 PolarHBondContact O-N 3.49Å; K276-N280 PolarHBondContact O-ND2 3.34Å
277	V	98.7	Very high	97.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-44.5	178.4	-177.7	0	0	0	0	111	Q236 M239 E240 I243 A272 S273 F274 K275 F279 N280 M281	Q236-V277 HydrophobicContact CG-CG1 4.21Å; Q236-V277 HydrophobicContact CG-CG2 4.07Å; M239-V277 HydrophobicContact CB-CB 4.48Å; M239-V277 HydrophobicContact CB-CG1 4.08Å; M239-V277 HydrophobicContact CB-CG2 4.31Å; M239-V277 HydrophobicContact CE-CB 4.24Å; M239-V277 HydrophobicContact CE-CG2 3.57Å; M239-V277 HydrophobicContact SD-CG2 3.88Å; E240-V277 HydrophobicContact CG-CG1 3.72Å; I243-V277 HydrophobicContact CD1-CB 4.07Å; I243-V277 HydrophobicContact CD1-CG1 3.75Å; A272-V277 HydrophobicContact CB-CG2 3.95Å; S273-V277 PolarHBondContact O-N 2.91Å; S273-V277 VanDerWaalsContact O-N 3.09Å; F274-V277 PolarHBondContact O-N 3.13Å; K275-V277 PolarHBondContact O-N 3.48Å; V277-F279 PolarHBondContact O-N 2.97Å; V277-N280 PolarHBondContact O-N 3.45Å; V277-M281 HydrophobicContact CG1-SD 4.22Å; V277-M281 WeakPolarHBondContact O-CG 3.45Å; V277-M281 PolarHBondContact O-N 2.8Å; V277-M281 VanDerWaalsContact O-N 3.08Å
278	L	98.6	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.3	-47.2	178.7	177.1	63.2	0	0	0	112.5	I243 F274 K275 M281 L289 L291	I243-L278 HydrophobicContact CD1-CB 4.12Å; I243-L278 HydrophobicContact CG2-CD1 3.74Å; F274-L278 WeakPolarHBondContact O-CB 3.3Å; F274-L278 PolarHBondContact O-N 2.6Å; K275-L278 PolarHBondContact O-N 2.92Å; L278-M281 PolarHBondContact O-N 2.86Å; L278-L289 HydrophobicContact CD1-CB 3.91Å; L278-L289 HydrophobicContact CD1-CD2 3.93Å; L278-L289 HydrophobicContact CD2-CB 4.27Å; L278-L289 HydrophobicContact CD2-CD2 4.37Å; L278-L291 HydrophobicContact CD2-CB 4.39Å; L278-L291 HydrophobicContact CD2-CD2 3.97Å
279	F	98.5	Very high	97.8	Very high	76 Å²	76	45 Å²	45	33%	0.333	25%	0.252	S	S	.	.	H	α-helix	trans	-71.6	-35.4	178.6	-84.3	-104.3	0	0	0	112.9	I130 K275 K276 V277 M281 G282 L315	I130-F279 HydrophobicContact CD1-CB 3.43Å; I130-F279 VanDerWaalsContact CD1-CB 3.43Å; I130-F279 HydrophobicContact CD1-CD1 4.41Å; I130-F279 HydrophobicContact CD1-CD2 3.99Å; I130-F279 HydrophobicContact CD1-CG 3.7Å; I130-F279 HydrophobicContact CG1-CB 4.16Å; I130-F279 HydrophobicContact CG1-CD1 4.48Å; I130-F279 HydrophobicContact CG1-CG 4.24Å; I130-F279 HydrophobicContact CG2-CD1 3.67Å; I130-F279 HydrophobicContact CG2-CD2 4.03Å; I130-F279 HydrophobicContact CG2-CE1 3.64Å; I130-F279 HydrophobicContact CG2-CE2 3.99Å; I130-F279 HydrophobicContact CG2-CG 3.87Å; I130-F279 HydrophobicContact CG2-CZ 3.8Å; K275-F279 HydrophobicContact CG-CD2 4.06Å; K275-F279 HydrophobicContact CG-CE2 4.09Å; K275-F279 VanDerWaalsContact O-CD2 3.3Å; K275-F279 WeakPolarHBondContact O-CD2 3.33Å; K275-F279 PolarHBondContact O-N 2.91Å; K276-F279 PolarHBondContact O-N 3.28Å; V277-F279 PolarHBondContact O-N 2.97Å; F279-M281 PolarHBondContact O-N 3.23Å; F279-G282 PolarHBondContact O-N 3.49Å; F279-L315 HydrophobicContact CE2-CD1 4.27Å
280	N	98.3	Very high	98	Very high	107 Å²	107	46.7 Å²	46.7	57%	0.572	26%	0.261	S	S	*	.	H	α-helix	trans	-62.6	-28.5	174.1	-73.6	-10.4	0	0	0	112.6	K276 V277 G282	K276-N280 WeakPolarHBondContact O-CB 3.39Å; K276-N280 PolarHBondContact O-N 3.49Å; K276-N280 PolarHBondContact O-ND2 3.34Å; V277-N280 PolarHBondContact O-N 3.45Å; N280-G282 PolarHBondContact O-N 3.04Å
281	M	98.4	Very high	98.1	Very high	33 Å²	33	42.6 Å²	42.6	16%	0.163	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.5	174.2	-66.6	173.9	70.5	0	0	113.6	E240 I243 K244 V277 L278 F279 Y285	E240-M281 HydrophobicContact CB-CE 4.11Å; E240-M281 HydrophobicContact CB-SD 3.89Å; E240-M281 HydrophobicContact CG-CE 4.47Å; E240-M281 HydrophobicContact CG-CG 4.11Å; E240-M281 HydrophobicContact CG-SD 3.78Å; I243-M281 HydrophobicContact CB-CE 4.21Å; I243-M281 HydrophobicContact CB-SD 3.87Å; I243-M281 HydrophobicContact CD1-SD 3.72Å; I243-M281 HydrophobicContact CG1-SD 4.42Å; I243-M281 HydrophobicContact CG2-CE 3.84Å; I243-M281 HydrophobicContact CG2-SD 3.66Å; K244-M281 HydrophobicContact CD-CE 4.41Å; K244-M281 HydrophobicContact CG-CE 3.88Å; V277-M281 HydrophobicContact CG1-SD 4.22Å; V277-M281 WeakPolarHBondContact O-CG 3.45Å; V277-M281 PolarHBondContact O-N 2.8Å; V277-M281 VanDerWaalsContact O-N 3.08Å; L278-M281 PolarHBondContact O-N 2.86Å; F279-M281 PolarHBondContact O-N 3.23Å; M281-Y285 HydrophobicContact CB-CD2 3.68Å; M281-Y285 HydrophobicContact CB-CE2 4.32Å; M281-Y285 HydrophobicContact CB-CG 4.15Å; M281-Y285 HydrophobicContact CE-CD1 3.94Å; M281-Y285 HydrophobicContact CE-CD2 3.95Å; M281-Y285 HydrophobicContact CE-CE1 3.93Å; M281-Y285 HydrophobicContact CE-CE2 3.92Å; M281-Y285 HydrophobicContact CE-CG 3.95Å; M281-Y285 WeakPolarHBondContact O-CD2 3.21Å
282	G	98	Very high	98.1	Very high	18 Å²	18	40.4 Å²	40.4	19%	0.186	23%	0.226	C	C	.	.			trans	88.6	175.1	173	0	0	0	0	0	115.6	F279 N280 S284 Y285 S286	F279-G282 PolarHBondContact O-N 3.49Å; N280-G282 PolarHBondContact O-N 3.04Å; G282-S284 PolarHBondContact O-N 3.37Å; G282-S284 VanDerWaalsContact O-N 3.08Å; G282-Y285 PolarHBondContact O-N 3.38Å; G282-S286 PolarHBondContact O-N 3.49Å; G282-S286 PolarHBondContact O-OG 3.16Å
283	P	96.6	Very high	98.1	Very high	111 Å²	111	39.6 Å²	39.6	72%	0.721	22%	0.22	S	C	*	.	H	α-helix	trans	-60.7	-23.5	-168.7	-26.4	35.6	0	0	0	115.7	Y285 S286 G287	P283-Y285 PolarHBondContact O-N 3.12Å; P283-S286 WeakPolarHBondContact CA-OG 3.1Å; P283-G287 PolarHBondContact O-N 2.83Å; P283-G287 VanDerWaalsContact O-N 3.08Å
284	S	96.3	Very high	98.2	Very high	66 Å²	66	39.6 Å²	39.6	46%	0.462	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-23.3	175.5	51.2	0	0	0	0	112.9	G282 K288	G282-S284 PolarHBondContact O-N 3.37Å; G282-S284 VanDerWaalsContact O-N 3.08Å; S284-K288 VanDerWaalsContact O-CD 3.25Å; S284-K288 WeakPolarHBondContact O-CD 3.41Å; S284-K288 WeakPolarHBondContact O-CE 3.33Å
285	Y	98.3	Very high	98.1	Very high	58 Å²	58	39.8 Å²	39.8	23%	0.227	22%	0.221	C	C	.	.	H	α-helix	trans	-109.4	-51.5	173.9	-57.9	-85	0	0	0	110.9	I243 K244 V247 M281 G282 P283 G287 K288 L289	I243-Y285 HydrophobicContact CG2-CD1 3.92Å; I243-Y285 HydrophobicContact CG2-CG 4.23Å; K244-Y285 HydrophobicContact CB-CE1 4.36Å; K244-Y285 HydrophobicContact CG-CE1 3.57Å; V247-Y285 HydrophobicContact CB-CD1 4.44Å; V247-Y285 HydrophobicContact CG2-CD1 4.11Å; M281-Y285 HydrophobicContact CB-CD2 3.68Å; M281-Y285 HydrophobicContact CB-CE2 4.32Å; M281-Y285 HydrophobicContact CB-CG 4.15Å; M281-Y285 HydrophobicContact CE-CD1 3.94Å; M281-Y285 HydrophobicContact CE-CD2 3.95Å; M281-Y285 HydrophobicContact CE-CE1 3.93Å; M281-Y285 HydrophobicContact CE-CE2 3.92Å; M281-Y285 HydrophobicContact CE-CG 3.95Å; M281-Y285 WeakPolarHBondContact O-CD2 3.21Å; G282-Y285 PolarHBondContact O-N 3.38Å; P283-Y285 PolarHBondContact O-N 3.12Å; Y285-G287 VanDerWaalsContact C-N 3.25Å; Y285-G287 PolarHBondContact O-N 2.71Å; Y285-K288 PolarHBondContact O-N 3.35Å; Y285-L289 PolarHBondContact O-N 2.78Å
286	S	97.4	Very high	98.1	Very high	14 Å²	14	40 Å²	40	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-67.2	-21.2	-173.9	66.6	0	0	0	0	114.9	G282 P283 N316	G282-S286 PolarHBondContact O-N 3.49Å; G282-S286 PolarHBondContact O-OG 3.16Å; P283-S286 WeakPolarHBondContact CA-OG 3.1Å; S286-N316 PolarHBondContact O-ND2 2.75Å; S286-N316 PolarHBondContact O-OD1 2.82Å
287	G	96.4	Very high	98	Very high	51 Å²	51	36.1 Å²	36.1	53%	0.526	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	5.2	171.9	0	0	0	0	0	114.6	P283 Y285	P283-G287 PolarHBondContact O-N 2.83Å; P283-G287 VanDerWaalsContact O-N 3.08Å; Y285-G287 VanDerWaalsContact C-N 3.25Å; Y285-G287 PolarHBondContact O-N 2.71Å
288	K	96.9	Very high	97.9	Very high	140 Å²	140	36.3 Å²	36.3	61%	0.609	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-40.1	-173.8	-62.9	-170.3	-171	170.8	0	114.8	V247 S284 Y285 E290	V247-K288 HydrophobicContact CG1-CD 4.43Å; S284-K288 VanDerWaalsContact O-CD 3.25Å; S284-K288 WeakPolarHBondContact O-CD 3.41Å; S284-K288 WeakPolarHBondContact O-CE 3.33Å; Y285-K288 PolarHBondContact O-N 3.35Å; K288-E290 PolarHBondContact O-N 3.13Å
289	L	98.6	Very high	97.7	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	21%	0.213	C	C	.	.			trans	-74.5	119.2	-172.5	-178.6	62.6	0	0	0	110.9	I243 A246 V247 L251 L253 L278 Y285 L291 N316	I243-L289 HydrophobicContact CB-CD2 4.46Å; I243-L289 HydrophobicContact CG1-CD2 4.11Å; I243-L289 HydrophobicContact CG2-CD2 4.15Å; A246-L289 HydrophobicContact CB-CD1 3.64Å; V247-L289 HydrophobicContact CG2-CB 3.88Å; V247-L289 HydrophobicContact CG2-CD1 4.19Å; L251-L289 WeakPolarHBondContact O-CD1 3.44Å; L253-L289 HydrophobicContact CB-CD1 4.23Å; L253-L289 HydrophobicContact CB-CD2 4.1Å; L253-L289 HydrophobicContact CB-CG 4.35Å; L253-L289 HydrophobicContact CD2-CD2 3.88Å; L278-L289 HydrophobicContact CD1-CB 3.91Å; L278-L289 HydrophobicContact CD1-CD2 3.93Å; L278-L289 HydrophobicContact CD2-CB 4.27Å; L278-L289 HydrophobicContact CD2-CD2 4.37Å; Y285-L289 PolarHBondContact O-N 2.78Å; L289-L291 PolarHBondContact O-N 2.85Å; L289-N316 WeakPolarHBondContact O-CB 3.38Å; L289-N316 PolarHBondContact O-ND2 2.99Å
290	E	98.6	Very high	97.1	Very high	72 Å²	72	34.3 Å²	34.3	34%	0.336	20%	0.197	S	C	.	.			trans	-68	110.5	166.3	-67.7	173	145.2	0	0	109	M252 L253 K288 L315 F317	M252-E290 WeakPolarHBondContact CA-O 3.36Å; M252-E290 HydrophobicContact CB-CB 4.28Å; M252-E290 HydrophobicContact CG-CB 4.11Å; L253-E290 PolarHBondContact N-O 3.38Å; K288-E290 PolarHBondContact O-N 3.13Å; E290-L315 WeakPolarHBondContact CA-O 3.49Å; E290-F317 HydrophobicContact CB-CD2 4.44Å; E290-F317 HydrophobicContact CB-CE2 4.19Å
291	L	98.9	Very high	96.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.7	-177.1	167.5	61	0	0	0	110.5	L253 A255 F274 K275 L278 L289 L315 F317	L253-L291 HydrophobicContact CB-CD1 4.19Å; L253-L291 HydrophobicContact CD2-CD1 3.97Å; L253-L291 HydrophobicContact CG-CD1 3.85Å; L253-L291 WeakPolarHBondContact O-CA 3.27Å; L253-L291 WeakPolarHBondContact O-CD1 3.44Å; A255-L291 HydrophobicContact CB-CD1 3.84Å; F274-L291 HydrophobicContact CB-CD1 4.17Å; F274-L291 HydrophobicContact CB-CD2 4.08Å; K275-L291 HydrophobicContact CB-CD2 4.3Å; L278-L291 HydrophobicContact CD2-CB 4.39Å; L278-L291 HydrophobicContact CD2-CD2 3.97Å; L289-L291 PolarHBondContact O-N 2.85Å; L291-L315 HydrophobicContact CB-CB 4.25Å; L291-L315 HydrophobicContact CD2-CD1 3.96Å; L291-L315 HydrophobicContact CG-CD1 4.38Å; L291-L315 PolarHBondContact N-O 2.72Å; L291-L315 PolarHBondContact O-N 3.13Å; L291-F317 WeakPolarHBondContact O-CE2 3.4Å
292	A	98.9	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	108.1	167.3	0	0	0	0	0	109.5	L150 L253 A255 E313 L314 F317	L150-A292 HydrophobicContact CD1-CB 3.6Å; L150-A292 HydrophobicContact CD2-CB 3.89Å; L150-A292 HydrophobicContact CG-CB 4.42Å; L253-A292 PolarHBondContact O-N 3.21Å; A255-A292 PolarHBondContact N-O 3.01Å; A292-E313 WeakPolarHBondContact CA-O 3.18Å; A292-L314 HydrophobicContact CB-CD2 3.97Å; A292-F317 HydrophobicContact CB-CE2 4.49Å; A292-F317 HydrophobicContact CB-CZ 4.12Å
293	S	98.8	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.9	175.1	169.3	0	0	0	0	110.1	E257 C312 E313	E257-S293 PolarHBondContact OE2-OG 3.15Å; S293-C312 CarbonylContact O-C 3.39Å; S293-C312 VanDerWaalsContact O-CA 3.24Å; S293-C312 WeakPolarHBondContact O-CA 3.35Å; S293-E313 PolarHBondContact N-O 3.14Å; S293-E313 PolarHBondContact O-N 3.21Å
294	L	98.8	Very high	96.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.5	-173.4	-62	162.3	0	0	0	111.4	A146 V147 L150 I254 A255 D256 E257 C312	A146-L294 HydrophobicContact CB-CD2 3.44Å; A146-L294 VanDerWaalsContact CB-CD2 3.44Å; V147-L294 HydrophobicContact CG2-CD1 3.5Å; V147-L294 VanDerWaalsContact CG2-CD1 3.5Å; L150-L294 HydrophobicContact CD1-CD2 4.1Å; I254-L294 HydrophobicContact CG2-CD1 3.53Å; I254-L294 HydrophobicContact CG2-CG 4.46Å; A255-L294 PolarHBondContact O-N 3.27Å; D256-L294 HydrophobicContact CB-CD1 4.47Å; E257-L294 CarbonylContact C-O 3.42Å; E257-L294 WeakPolarHBondContact CA-O 3.29Å; E257-L294 PolarHBondContact N-O 2.78Å; L294-C312 HydrophobicContact CD2-CB 3.85Å
295	M	98.2	Very high	96.6	Very high	4 Å²	4	20 Å²	20	2%	0.02	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154	174.4	-175.4	-80.1	-141.9	0	0	110.7	Y123 Q260 G310 Y311 L343 I346 V347	Y123-M295 HydrophobicContact CE1-CE 4.43Å; Q260-M295 VanDerWaalsContact NE2-CG 3.3Å; M295-G310 CarbonylContact O-C 3.42Å; M295-G310 WeakPolarHBondContact O-CA 3.06Å; M295-Y311 HydrophobicContact CB-CD1 3.98Å; M295-Y311 HydrophobicContact CB-CD2 4.33Å; M295-Y311 HydrophobicContact CB-CE1 3.46Å; M295-Y311 VanDerWaalsContact CB-CE1 3.46Å; M295-Y311 HydrophobicContact CB-CE2 3.81Å; M295-Y311 HydrophobicContact CB-CG 4.39Å; M295-Y311 HydrophobicContact CE-CE1 3.85Å; M295-Y311 HydrophobicContact CG-CD1 4.37Å; M295-Y311 HydrophobicContact CG-CE1 3.62Å; M295-Y311 PolarHBondContact N-O 2.74Å; M295-Y311 VanDerWaalsContact N-O 3.1Å; M295-Y311 PolarHBondContact O-N 2.86Å; M295-Y311 HydrophobicContact SD-CD1 3.99Å; M295-Y311 HydrophobicContact SD-CE1 3.57Å; M295-Y311 VanDerWaalsContact SD-CE1 3.57Å; M295-L343 HydrophobicContact CE-CD1 4.02Å; M295-L343 HydrophobicContact SD-CD1 3.84Å; M295-I346 HydrophobicContact CE-CG2 3.94Å; M295-V347 HydrophobicContact CE-CG1 3.75Å
296	S	98	Very high	96.4	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.4	173.7	180	0	0	0	0	111.9	S298 G309	S296-S298 PolarHBondContact O-N 3.06Å; S296-S298 VanDerWaalsContact O-N 3.15Å; S296-S298 WeakPolarHBondContact OG-CB 3.24Å; S296-S298 PolarHBondContact OG-N 3.39Å; S296-S298 PolarHBondContact OG-OG 3Å; S296-S298 VanDerWaalsContact OG-OG 3.13Å; S296-G309 WeakPolarHBondContact CA-O 3.22Å; S296-G309 WeakPolarHBondContact CB-O 3.45Å; S296-G309 PolarHBondContact OG-O 2.76Å
297	C	97.2	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.8	171	64	0	0	0	0	113.7	K299 M302 E304 G309 I346	C297-K299 PolarHBondContact O-N 3.03Å; C297-M302 VanDerWaalsContact O-CB 3.31Å; C297-M302 WeakPolarHBondContact O-CB 3.4Å; C297-E304 HydrophobicContact CB-CB 4.19Å; C297-E304 WeakPolarHBondContact O-CB 3.29Å; C297-E304 PolarHBondContact O-N 3.22Å; C297-G309 PolarHBondContact N-O 2.92Å; C297-G309 WeakPolarHBondContact SG-CA 3.17Å; C297-G309 PolarHBondContact SG-N 2.94Å; C297-G309 VanDerWaalsContact SG-N 3.41Å; C297-G309 PolarHBondContact SG-O 3.32Å; C297-I346 HydrophobicContact CB-CD1 3.23Å
298	S	96.8	Very high	96.5	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.028	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.6	-175.5	-66.4	0	0	0	0	114.3	S296 C305	S296-S298 PolarHBondContact O-N 3.06Å; S296-S298 VanDerWaalsContact O-N 3.15Å; S296-S298 WeakPolarHBondContact OG-CB 3.24Å; S296-S298 PolarHBondContact OG-N 3.39Å; S296-S298 PolarHBondContact OG-OG 3Å; S296-S298 VanDerWaalsContact OG-OG 3.13Å; S298-C305 PolarHBondContact O-SG 2.9Å
299	K	93.8	Very high	96.5	Very high	34 Å²	34	17.6 Å²	17.6	15%	0.148	10%	0.099	C	C	.	.	S	Bend	trans	-120.2	163.4	-169.8	-56	-57.2	163.4	-156.1	0	110.9	G53 V258 Y259 C297 M302 M397	G53-K299 PolarHBondContact O-NZ 2.81Å; V258-K299 HydrophobicContact CB-CB 4.48Å; V258-K299 HydrophobicContact CB-CG 4.13Å; V258-K299 HydrophobicContact CG2-CG 3.98Å; V258-K299 WeakPolarHBondContact O-CB 3.03Å; Y259-K299 HydrophobicContact CD1-CB 3.83Å; Y259-K299 HydrophobicContact CD1-CG 4.21Å; Y259-K299 HydrophobicContact CE1-CB 3.72Å; Y259-K299 HydrophobicContact CE1-CD 3.66Å; Y259-K299 HydrophobicContact CE1-CG 3.68Å; C297-K299 PolarHBondContact O-N 3.03Å; K299-M302 WeakPolarHBondContact O-CE 3.26Å; K299-M397 HydrophobicContact CD-CE 3.68Å; K299-M397 HydrophobicContact CD-SD 4.31Å
300	G	86	Confident	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-153.6	-179.5	0	0	0	0	0	117.2	Q60 N262 M302 G303	Q60-G300 PolarHBondContact NE2-O 3.46Å; N262-G300 WeakPolarHBondContact ND2-CA 3.34Å; N262-G300 WeakPolarHBondContact OD1-CA 3.45Å; G300-M302 PolarHBondContact O-N 3.13Å; G300-M302 VanDerWaalsContact O-N 3.1Å; G300-G303 PolarHBondContact O-N 3.19Å
301	Y	94	Very high	96.5	Very high	11 Å²	11	14.1 Å²	14.1	4%	0.043	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.5	-177	78.3	-94.3	0	0	0	112.5	Q60 I63 Q261 F360 R364	Q60-Y301 PolarHBondContact NE2-O 3.1Å; I63-Y301 HydrophobicContact CD1-CD2 3.9Å; I63-Y301 HydrophobicContact CD1-CE2 4.5Å; I63-Y301 HydrophobicContact CG1-CD2 3.91Å; I63-Y301 HydrophobicContact CG1-CE2 4.2Å; Q261-Y301 HydrophobicContact CB-CD1 4.23Å; Q261-Y301 HydrophobicContact CB-CE1 4.36Å; Q261-Y301 HydrophobicContact CG-CE1 4.27Å; Y301-F360 HydrophobicContact CE2-CE2 4.13Å; Y301-F360 HydrophobicContact CE2-CZ 4.05Å; Y301-F360 WeakPolarHBondContact OH-CZ 3.39Å; Y301-R364 HydrophobicContact CD1-CG 3.75Å; Y301-R364 HydrophobicContact CD2-CB 3.9Å; Y301-R364 HydrophobicContact CD2-CG 3.67Å; Y301-R364 HydrophobicContact CE1-CG 3.94Å; Y301-R364 HydrophobicContact CE2-CB 4.11Å; Y301-R364 HydrophobicContact CE2-CG 3.87Å; Y301-R364 HydrophobicContact CG-CB 4.28Å; Y301-R364 HydrophobicContact CG-CG 3.61Å
302	M	94.9	Very high	96.5	Very high	4 Å²	4	14 Å²	14	2%	0.02	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-56	177	-54.9	151.7	-98.6	0	0	110.9	Q261 C297 K299 G300 E304 I346	Q261-M302 HydrophobicContact CB-CE 4.19Å; Q261-M302 HydrophobicContact CG-CE 4.06Å; C297-M302 VanDerWaalsContact O-CB 3.31Å; C297-M302 WeakPolarHBondContact O-CB 3.4Å; K299-M302 WeakPolarHBondContact O-CE 3.26Å; G300-M302 PolarHBondContact O-N 3.13Å; G300-M302 VanDerWaalsContact O-N 3.1Å; M302-E304 HydrophobicContact CB-CG 4.43Å; M302-E304 PolarHBondContact O-N 2.99Å; M302-I346 HydrophobicContact CB-CD1 3.77Å; M302-I346 HydrophobicContact CB-CG1 4.44Å; M302-I346 HydrophobicContact CG-CD1 3.57Å; M302-I346 HydrophobicContact CG-CG1 3.81Å; M302-I346 HydrophobicContact CG-CG2 3.92Å; M302-I346 HydrophobicContact SD-CB 4.33Å; M302-I346 HydrophobicContact SD-CD1 3.77Å; M302-I346 HydrophobicContact SD-CG1 4.16Å; M302-I346 HydrophobicContact SD-CG2 3.29Å; M302-I346 WeakPolarHBondContact SD-CG2 3.38Å
303	G	95.7	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.083	C	C	.	.			trans	68.2	11.7	175.7	0	0	0	0	0	116.1	H56 G300 C305	H56-G303 PolarHBondContact CD2-O 3.31Å; H56-G303 VanDerWaalsContact CD2-O 3.24Å; H56-G303 PolarHBondContact NE2-O 2.95Å; G300-G303 PolarHBondContact O-N 3.19Å; G303-C305 PolarHBondContact O-N 3.1Å
304	E	97.1	Very high	96.5	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.014	8%	0.083	C	C	.	.			trans	-79.8	52.8	-168.6	-59	-58.5	174.9	0	0	113.6	H56 V66 R67 C297 M302 G306 Y307 I346	H56-E304 IonicContact NE2-OE1 3.29Å; H56-E304 IonicContact NE2-OE2 3.09Å; V66-E304 HydrophobicContact CG1-CG 4.31Å; R67-E304 IonicContact CZ-OE1 2.77Å; R67-E304 VanDerWaalsContact CZ-OE1 3.26Å; R67-E304 IonicContact CZ-OE2 2.68Å; R67-E304 VanDerWaalsContact CZ-OE2 3.32Å; R67-E304 IonicContact NH1-OE1 3.38Å; R67-E304 PolarHBondContact NH1-OE1 3.41Å; R67-E304 IonicContact NH1-OE2 3.83Å; R67-E304 PolarHBondContact NH1-OE2 3.27Å; R67-E304 VanDerWaalsContact NH2-CD 3.33Å; R67-E304 IonicContact NH2-OE1 3.74Å; R67-E304 PolarHBondContact NH2-OE1 3.21Å; R67-E304 VanDerWaalsContact NH2-OE1 3.09Å; R67-E304 IonicContact NH2-OE2 3.04Å; R67-E304 PolarHBondContact NH2-OE2 3.02Å; C297-E304 HydrophobicContact CB-CB 4.19Å; C297-E304 WeakPolarHBondContact O-CB 3.29Å; C297-E304 PolarHBondContact O-N 3.22Å; M302-E304 HydrophobicContact CB-CG 4.43Å; M302-E304 PolarHBondContact O-N 2.99Å; E304-G306 VanDerWaalsContact C-N 3.28Å; E304-G306 PolarHBondContact O-N 3.21Å; E304-Y307 HydrophobicContact CB-CD2 3.9Å; E304-Y307 HydrophobicContact CG-CD2 4.26Å; E304-Y307 PolarHBondContact O-N 3.05Å; E304-Y307 WeakPolarHBondContact OE2-CD2 3.41Å; E304-Y307 VanDerWaalsContact OE2-CE2 3.29Å; E304-Y307 WeakPolarHBondContact OE2-CE2 3.4Å; E304-I346 HydrophobicContact CG-CD1 4.5Å
305	C	94.5	Very high	96.5	Very high	18 Å²	18	15 Å²	15	12%	0.122	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39.1	-174.4	-72	0	0	0	0	113.3	G53 S298 G303 R308	G53-C305 PolarHBondContact O-SG 3.2Å; G53-C305 VanDerWaalsContact O-SG 3.37Å; S298-C305 PolarHBondContact O-SG 2.9Å; G303-C305 PolarHBondContact O-N 3.1Å; C305-R308 WeakPolarHBondContact O-CD 3.39Å; C305-R308 PolarHBondContact O-NH1 3.33Å
306	G	96	Very high	96.5	Very high	74 Å²	74	18 Å²	18	76%	0.763	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.3	-176.6	0	0	0	0	0	114.7	E304 R308	E304-G306 VanDerWaalsContact C-N 3.28Å; E304-G306 PolarHBondContact O-N 3.21Å; G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.32Å
307	Y	97.1	Very high	96.5	Very high	58 Å²	58	18.5 Å²	18.5	23%	0.227	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.3	180	-87	-76.3	0	0	0	113.4	T70 E304 G309 M338 G339 A342	T70-Y307 HydrophobicContact CG2-CE1 3.87Å; T70-Y307 PolarHBondContact OG1-OH 2.99Å; E304-Y307 HydrophobicContact CB-CD2 3.9Å; E304-Y307 HydrophobicContact CG-CD2 4.26Å; E304-Y307 PolarHBondContact O-N 3.05Å; E304-Y307 WeakPolarHBondContact OE2-CD2 3.41Å; E304-Y307 VanDerWaalsContact OE2-CE2 3.29Å; E304-Y307 WeakPolarHBondContact OE2-CE2 3.4Å; Y307-G309 VanDerWaalsContact C-N 3.32Å; Y307-G309 PolarHBondContact O-N 3.14Å; Y307-M338 HydrophobicContact CD1-CB 3.96Å; Y307-M338 WeakPolarHBondContact CD1-O 3.18Å; Y307-M338 HydrophobicContact CE1-CB 4.09Å; Y307-M338 HydrophobicContact CE1-CE 4.08Å; Y307-G339 WeakPolarHBondContact O-CA 2.89Å; Y307-G339 PolarHBondContact O-N 3.15Å; Y307-A342 HydrophobicContact CD1-CB 3.98Å; Y307-A342 HydrophobicContact CD2-CB 4.3Å; Y307-A342 HydrophobicContact CG-CB 3.83Å
308	R	97.2	Very high	96.5	Very high	79 Å²	79	22.3 Å²	22.3	30%	0.298	13%	0.126	S	C	.	.			trans	56.3	42.7	179.8	-50.5	-52.6	-55	150.6	1.8	113.1	C141 G142 T144 C305 G306	C141-R308 CarbonylContact C-O 3.57Å; C141-R308 VanDerWaalsContact CA-O 3.29Å; C141-R308 WeakPolarHBondContact CA-O 3.48Å; C141-R308 PolarHBondContact O-NH2 3.14Å; C141-R308 VanDerWaalsContact SG-CB 3.59Å; G142-R308 VanDerWaalsContact N-C 3.32Å; G142-R308 PolarHBondContact N-O 2.71Å; T144-R308 PolarHBondContact OG1-NH2 3.32Å; C305-R308 WeakPolarHBondContact O-CD 3.39Å; C305-R308 PolarHBondContact O-NH1 3.33Å; G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.32Å
309	G	98.2	Very high	96.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.6	171.9	0	0	0	0	0	112.7	S296 C297 Y307 G339	S296-G309 WeakPolarHBondContact CA-O 3.22Å; S296-G309 WeakPolarHBondContact CB-O 3.45Å; S296-G309 PolarHBondContact OG-O 2.76Å; C297-G309 PolarHBondContact N-O 2.92Å; C297-G309 WeakPolarHBondContact SG-CA 3.17Å; C297-G309 PolarHBondContact SG-N 2.94Å; C297-G309 VanDerWaalsContact SG-N 3.41Å; C297-G309 PolarHBondContact SG-O 3.32Å; Y307-G309 VanDerWaalsContact C-N 3.32Å; Y307-G309 PolarHBondContact O-N 3.14Å; G309-G339 VanDerWaalsContact CA-O 3.29Å; G309-G339 WeakPolarHBondContact CA-O 3.49Å
310	G	98.4	Very high	96.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	170	171.6	0	0	0	0	0	112.2	L139 A140 M295	L139-G310 CarbonylContact C-O 3.58Å; L139-G310 WeakPolarHBondContact CA-O 3.45Å; A140-G310 PolarHBondContact N-O 2.98Å; A140-G310 PolarHBondContact O-N 3.09Å; A140-G310 VanDerWaalsContact O-N 3.13Å; M295-G310 CarbonylContact O-C 3.42Å; M295-G310 WeakPolarHBondContact O-CA 3.06Å
311	Y	98.7	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.2	175.1	69.9	-103.8	0	0	0	111.3	V120 I124 F138 M295 L343 V347	V120-Y311 HydrophobicContact CB-CD1 4.41Å; V120-Y311 HydrophobicContact CG1-CD1 3.59Å; V120-Y311 HydrophobicContact CG1-CD2 3.71Å; V120-Y311 HydrophobicContact CG1-CE1 3.68Å; V120-Y311 HydrophobicContact CG1-CE2 3.84Å; V120-Y311 HydrophobicContact CG1-CG 3.61Å; V120-Y311 HydrophobicContact CG2-CD1 3.8Å; V120-Y311 HydrophobicContact CG2-CE1 4.29Å; V120-Y311 HydrophobicContact CG2-CG 4.25Å; I124-Y311 HydrophobicContact CD1-CE2 3.81Å; I124-Y311 HydrophobicContact CG1-CE2 4.41Å; F138-Y311 VanDerWaalsContact O-CA 3.32Å; F138-Y311 WeakPolarHBondContact O-CA 3.46Å; M295-Y311 HydrophobicContact CB-CD1 3.98Å; M295-Y311 HydrophobicContact CB-CD2 4.33Å; M295-Y311 HydrophobicContact CB-CE1 3.46Å; M295-Y311 VanDerWaalsContact CB-CE1 3.46Å; M295-Y311 HydrophobicContact CB-CE2 3.81Å; M295-Y311 HydrophobicContact CB-CG 4.39Å; M295-Y311 HydrophobicContact CE-CE1 3.85Å; M295-Y311 HydrophobicContact CG-CD1 4.37Å; M295-Y311 HydrophobicContact CG-CE1 3.62Å; M295-Y311 PolarHBondContact N-O 2.74Å; M295-Y311 VanDerWaalsContact N-O 3.1Å; M295-Y311 PolarHBondContact O-N 2.86Å; M295-Y311 HydrophobicContact SD-CD1 3.99Å; M295-Y311 HydrophobicContact SD-CE1 3.57Å; M295-Y311 VanDerWaalsContact SD-CE1 3.57Å; Y311-L343 HydrophobicContact CD1-CD1 4.08Å; Y311-L343 HydrophobicContact CD1-CD2 4.18Å; Y311-V347 HydrophobicContact CE1-CG1 4.22Å
312	C	98.8	Very high	97.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.5	164.9	-177.2	0	0	0	0	109.8	I137 F138 A146 S293 L294	I137-C312 WeakPolarHBondContact CA-O 3.34Å; F138-C312 HydrophobicContact CD1-CB 4.08Å; F138-C312 HydrophobicContact CE1-CB 3.48Å; F138-C312 VanDerWaalsContact CE1-CB 3.48Å; F138-C312 HydrophobicContact CE2-CB 3.96Å; F138-C312 HydrophobicContact CZ-CB 3.41Å; F138-C312 VanDerWaalsContact CZ-CB 3.41Å; F138-C312 PolarHBondContact N-O 2.92Å; F138-C312 VanDerWaalsContact N-O 3.13Å; F138-C312 PolarHBondContact O-N 3.46Å; A146-C312 HydrophobicContact CB-CB 3.95Å; S293-C312 CarbonylContact O-C 3.39Å; S293-C312 VanDerWaalsContact O-CA 3.24Å; S293-C312 WeakPolarHBondContact O-CA 3.35Å; L294-C312 HydrophobicContact CD2-CB 3.85Å
313	E	98.8	Very high	97.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.9	168	-176.7	-176.2	-143.4	0	0	109.3	I124 S132 I137 K275 A292 S293	I124-E313 HydrophobicContact CD1-CB 4Å; I124-E313 HydrophobicContact CD1-CG 4.29Å; S132-E313 VanDerWaalsContact CB-OE1 3.3Å; S132-E313 WeakPolarHBondContact CB-OE1 3.41Å; S132-E313 PolarHBondContact OG-OE1 2.93Å; I137-E313 HydrophobicContact CG1-CB 4.06Å; I137-E313 HydrophobicContact CG1-CG 4.06Å; K275-E313 VanDerWaalsContact CD-OE2 3.3Å; K275-E313 WeakPolarHBondContact CD-OE2 3.48Å; K275-E313 IonicContact NZ-OE1 3.59Å; K275-E313 PolarHBondContact NZ-OE1 2.9Å; K275-E313 IonicContact NZ-OE2 2.78Å; K275-E313 PolarHBondContact NZ-OE2 3.27Å; A292-E313 WeakPolarHBondContact CA-O 3.18Å; S293-E313 PolarHBondContact N-O 3.14Å; S293-E313 PolarHBondContact O-N 3.21Å
314	L	98.7	Very high	97.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.2	176.3	-56	175.6	0	0	0	110.3	N136 F138 L150 A292 F317 Q322 L325 Y326	N136-L314 VanDerWaalsContact CB-O 3.32Å; N136-L314 WeakPolarHBondContact CB-O 3.4Å; N136-L314 PolarHBondContact O-N 3.02Å; F138-L314 HydrophobicContact CD1-CD1 4.33Å; F138-L314 HydrophobicContact CE1-CD1 4.18Å; F138-L314 HydrophobicContact CE1-CD2 4.27Å; F138-L314 HydrophobicContact CE1-CG 4.28Å; L150-L314 HydrophobicContact CD2-CD2 4.05Å; A292-L314 HydrophobicContact CB-CD2 3.97Å; L314-F317 HydrophobicContact CB-CD2 3.73Å; L314-F317 HydrophobicContact CB-CE2 4.04Å; L314-F317 HydrophobicContact CB-CG 4.17Å; L314-F317 HydrophobicContact CD2-CD1 4.47Å; L314-F317 HydrophobicContact CD2-CD2 4.25Å; L314-F317 HydrophobicContact CD2-CE1 4.03Å; L314-F317 HydrophobicContact CD2-CE2 3.83Å; L314-F317 HydrophobicContact CD2-CZ 3.71Å; L314-F317 HydrophobicContact CG-CD2 4.48Å; L314-Q322 HydrophobicContact CD1-CG 4.05Å; L314-L325 HydrophobicContact CD1-CD2 3.73Å; L314-Y326 HydrophobicContact CD1-CE1 4.08Å
315	L	98.3	Very high	97.8	Very high	19 Å²	19	39.7 Å²	39.7	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.5	175.9	-66.1	172.1	0	0	0	110.4	K275 F279 E290 L291 F317	K275-L315 HydrophobicContact CB-CD1 4.21Å; K275-L315 HydrophobicContact CD-CD1 3.88Å; K275-L315 HydrophobicContact CG-CD1 3.77Å; F279-L315 HydrophobicContact CE2-CD1 4.27Å; E290-L315 WeakPolarHBondContact CA-O 3.49Å; L291-L315 HydrophobicContact CB-CB 4.25Å; L291-L315 HydrophobicContact CD2-CD1 3.96Å; L291-L315 HydrophobicContact CG-CD1 4.38Å; L291-L315 PolarHBondContact N-O 2.72Å; L291-L315 PolarHBondContact O-N 3.13Å; L315-F317 VanDerWaalsContact O-CD2 3.25Å; L315-F317 WeakPolarHBondContact O-CD2 3.44Å; L315-F317 PolarHBondContact O-N 3.09Å
316	N	97.9	Very high	97.9	Very high	67 Å²	67	40.6 Å²	40.6	36%	0.358	24%	0.241	S	C	.	.	S	Bend	trans	61.9	16.9	177.8	-51.9	-45.9	0	0	0	116.1	S286 L289	S286-N316 PolarHBondContact O-ND2 2.75Å; S286-N316 PolarHBondContact O-OD1 2.82Å; L289-N316 WeakPolarHBondContact O-CB 3.38Å; L289-N316 PolarHBondContact O-ND2 2.99Å
317	F	98.1	Very high	98	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.061	23%	0.234	C	C	.	.			trans	-68.5	140.8	174.7	-78.1	-115.2	0	0	0	110.1	M153 M252 E290 L291 A292 L314 L315 Q322	M153-F317 HydrophobicContact CE-CD1 4.31Å; M153-F317 HydrophobicContact CE-CE1 3.69Å; M252-F317 HydrophobicContact CG-CZ 4.02Å; M252-F317 HydrophobicContact SD-CE1 3.65Å; M252-F317 HydrophobicContact SD-CZ 3.44Å; M252-F317 WeakPolarHBondContact SD-CZ 3.19Å; E290-F317 HydrophobicContact CB-CD2 4.44Å; E290-F317 HydrophobicContact CB-CE2 4.19Å; L291-F317 WeakPolarHBondContact O-CE2 3.4Å; A292-F317 HydrophobicContact CB-CE2 4.49Å; A292-F317 HydrophobicContact CB-CZ 4.12Å; L314-F317 HydrophobicContact CB-CD2 3.73Å; L314-F317 HydrophobicContact CB-CE2 4.04Å; L314-F317 HydrophobicContact CB-CG 4.17Å; L314-F317 HydrophobicContact CD2-CD1 4.47Å; L314-F317 HydrophobicContact CD2-CD2 4.25Å; L314-F317 HydrophobicContact CD2-CE1 4.03Å; L314-F317 HydrophobicContact CD2-CE2 3.83Å; L314-F317 HydrophobicContact CD2-CZ 3.71Å; L314-F317 HydrophobicContact CG-CD2 4.48Å; L315-F317 VanDerWaalsContact O-CD2 3.25Å; L315-F317 WeakPolarHBondContact O-CD2 3.44Å; L315-F317 PolarHBondContact O-N 3.09Å; F317-Q322 HydrophobicContact CB-CB 4.43Å
318	D	97.8	Very high	97.9	Very high	80 Å²	80	43.4 Å²	43.4	43%	0.428	24%	0.242	S	C	.	.			trans	-56.8	127.7	169.2	179.7	-70.8	0	0	0	109.8	A320 V321 Q322	D318-A320 PolarHBondContact O-N 3.29Å; D318-A320 WeakPolarHBondContact OD1-CA 3.44Å; D318-A320 VanDerWaalsContact OD1-CB 3.22Å; D318-A320 WeakPolarHBondContact OD1-CB 3.39Å; D318-A320 PolarHBondContact OD1-N 2.68Å; D318-V321 HydrophobicContact CB-CB 4.12Å; D318-V321 HydrophobicContact CB-CG2 3.84Å; D318-V321 WeakPolarHBondContact O-CB 3.47Å; D318-V321 PolarHBondContact O-N 2.97Å; D318-V321 PolarHBondContact OD1-N 3.23Å; D318-Q322 PolarHBondContact O-N 3.11Å
319	P	97.9	Very high	97.8	Very high	104 Å²	104	39.6 Å²	39.6	68%	0.675	23%	0.228	S	C	*	.	H	α-helix	trans	-57	-33.3	-177.2	-28.4	35.6	0	0	0	114.4	A323	P319-A323 WeakPolarHBondContact O-CB 3.32Å; P319-A323 PolarHBondContact O-N 3.07Å
320	A	98.2	Very high	97.6	Very high	64 Å²	64	42.2 Å²	42.2	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-72.2	-35.9	177.3	0	0	0	0	0	111.5	D318 Q324	D318-A320 PolarHBondContact O-N 3.29Å; D318-A320 WeakPolarHBondContact OD1-CA 3.44Å; D318-A320 VanDerWaalsContact OD1-CB 3.22Å; D318-A320 WeakPolarHBondContact OD1-CB 3.39Å; D318-A320 PolarHBondContact OD1-N 2.68Å; A320-Q324 WeakPolarHBondContact O-CG 3.23Å; A320-Q324 PolarHBondContact O-N 3.26Å
321	V	97.8	Very high	97.4	Very high	59 Å²	59	46.3 Å²	46.3	36%	0.358	28%	0.28	S	S	.	.	H	α-helix	trans	-66.3	-47.9	172.9	176.8	0	0	0	0	110.6	M153 D318 A323 Q324 L325	M153-V321 HydrophobicContact CE-CG1 4.46Å; M153-V321 HydrophobicContact CG-CG1 4.41Å; M153-V321 HydrophobicContact SD-CG1 3.72Å; D318-V321 HydrophobicContact CB-CB 4.12Å; D318-V321 HydrophobicContact CB-CG2 3.84Å; D318-V321 WeakPolarHBondContact O-CB 3.47Å; D318-V321 PolarHBondContact O-N 2.97Å; D318-V321 PolarHBondContact OD1-N 3.23Å; V321-A323 VanDerWaalsContact C-N 3.27Å; V321-A323 PolarHBondContact O-N 2.93Å; V321-Q324 PolarHBondContact O-N 2.99Å; V321-L325 PolarHBondContact O-N 3.09Å
322	Q	98	Very high	97.1	Very high	22 Å²	22	49 Å²	49	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-39	176.7	-176.5	171.7	-37	0	0	111.7	N136 L314 F317 D318 Q324 L325 Y326	N136-Q322 PolarHBondContact OD1-NE2 3.33Å; L314-Q322 HydrophobicContact CD1-CG 4.05Å; F317-Q322 HydrophobicContact CB-CB 4.43Å; D318-Q322 PolarHBondContact O-N 3.11Å; Q322-Q324 PolarHBondContact O-N 2.88Å; Q322-L325 WeakPolarHBondContact O-CB 3.24Å; Q322-L325 PolarHBondContact O-N 2.8Å; Q322-Y326 HydrophobicContact CG-CD1 4.36Å; Q322-Y326 HydrophobicContact CG-CD2 4.3Å; Q322-Y326 HydrophobicContact CG-CE1 3.92Å; Q322-Y326 HydrophobicContact CG-CE2 3.86Å; Q322-Y326 PolarHBondContact NE2-OH 3.28Å; Q322-Y326 VanDerWaalsContact NE2-OH 3.07Å; Q322-Y326 WeakPolarHBondContact O-CD1 3.29Å; Q322-Y326 PolarHBondContact O-N 2.98Å
323	A	97.7	Very high	96.9	Very high	51 Å²	51	53.3 Å²	53.3	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-38	174.5	0	0	0	0	0	112.9	P319 V321 Y326 K327	P319-A323 WeakPolarHBondContact O-CB 3.32Å; P319-A323 PolarHBondContact O-N 3.07Å; V321-A323 VanDerWaalsContact C-N 3.27Å; V321-A323 PolarHBondContact O-N 2.93Å; A323-Y326 PolarHBondContact O-N 3.39Å; A323-K327 WeakPolarHBondContact O-CB 3.45Å; A323-K327 PolarHBondContact O-N 3.04Å
324	Q	97.8	Very high	96.7	Very high	116 Å²	116	54.3 Å²	54.3	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-68.1	-39.8	174.4	-63.8	-45.7	-53.9	0	0	112.2	A320 V321 Q322 Y326 K327 A328	A320-Q324 WeakPolarHBondContact O-CG 3.23Å; A320-Q324 PolarHBondContact O-N 3.26Å; V321-Q324 PolarHBondContact O-N 2.99Å; Q322-Q324 PolarHBondContact O-N 2.88Å; Q324-Y326 VanDerWaalsContact C-N 3.34Å; Q324-Y326 PolarHBondContact O-N 2.84Å; Q324-K327 PolarHBondContact O-N 2.86Å; Q324-A328 PolarHBondContact O-N 3.27Å
325	L	97.6	Very high	96.7	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-45.8	173.5	176.6	61.7	0	0	0	111.2	F138 M149 M153 L314 V321 Q322 K327 A328 L329	F138-L325 HydrophobicContact CE1-CD2 4.09Å; M149-L325 HydrophobicContact CB-CD1 3.96Å; M149-L325 HydrophobicContact CE-CD1 4.11Å; M153-L325 HydrophobicContact SD-CB 3.97Å; M153-L325 HydrophobicContact SD-CD1 4.37Å; M153-L325 HydrophobicContact SD-CD2 4.11Å; M153-L325 HydrophobicContact SD-CG 4.38Å; L314-L325 HydrophobicContact CD1-CD2 3.73Å; V321-L325 PolarHBondContact O-N 3.09Å; Q322-L325 WeakPolarHBondContact O-CB 3.24Å; Q322-L325 PolarHBondContact O-N 2.8Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 3.21Å; L325-A328 PolarHBondContact O-N 2.99Å; L325-L329 HydrophobicContact CG-CD1 4.38Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.23Å
326	Y	97.2	Very high	96.6	Very high	38 Å²	38	56.1 Å²	56.1	15%	0.149	33%	0.332	C	S	.	.	H	α-helix	trans	-67.6	-36.5	179.6	-71	2.5	0	0	0	112.2	L111 E135 N136 F138 L314 Q322 A323 Q324 L329 S330	L111-Y326 HydrophobicContact CD1-CD1 4.35Å; L111-Y326 HydrophobicContact CD1-CD2 3.47Å; L111-Y326 VanDerWaalsContact CD1-CD2 3.47Å; L111-Y326 HydrophobicContact CD1-CE1 4.45Å; L111-Y326 HydrophobicContact CD1-CE2 3.58Å; L111-Y326 HydrophobicContact CD1-CG 3.88Å; L111-Y326 HydrophobicContact CD2-CD1 3.63Å; L111-Y326 HydrophobicContact CD2-CD2 4.18Å; L111-Y326 HydrophobicContact CD2-CE1 4.11Å; L111-Y326 HydrophobicContact CD2-CG 3.67Å; L111-Y326 HydrophobicContact CG-CD2 4.46Å; L111-Y326 HydrophobicContact CG-CG 4.4Å; E135-Y326 PolarHBondContact O-OH 3.05Å; N136-Y326 WeakPolarHBondContact CA-OH 3.25Å; F138-Y326 HydrophobicContact CB-CE1 4.36Å; F138-Y326 HydrophobicContact CD1-CE1 4Å; L314-Y326 HydrophobicContact CD1-CE1 4.08Å; Q322-Y326 HydrophobicContact CG-CD1 4.36Å; Q322-Y326 HydrophobicContact CG-CD2 4.3Å; Q322-Y326 HydrophobicContact CG-CE1 3.92Å; Q322-Y326 HydrophobicContact CG-CE2 3.86Å; Q322-Y326 PolarHBondContact NE2-OH 3.28Å; Q322-Y326 VanDerWaalsContact NE2-OH 3.07Å; Q322-Y326 WeakPolarHBondContact O-CD1 3.29Å; Q322-Y326 PolarHBondContact O-N 2.98Å; A323-Y326 PolarHBondContact O-N 3.39Å; Q324-Y326 VanDerWaalsContact C-N 3.34Å; Q324-Y326 PolarHBondContact O-N 2.84Å; Y326-L329 HydrophobicContact CD1-CD1 4.07Å; Y326-L329 PolarHBondContact O-N 3.33Å; Y326-S330 PolarHBondContact O-N 3.48Å
327	K	96.6	Very high	96.6	Very high	142 Å²	142	53.6 Å²	53.6	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-61.5	-44.7	170.6	-177.4	-178	174.5	-173.6	0	111.4	A323 Q324 L325 S330	A323-K327 WeakPolarHBondContact O-CB 3.45Å; A323-K327 PolarHBondContact O-N 3.04Å; Q324-K327 PolarHBondContact O-N 2.86Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 3.21Å; K327-S330 WeakPolarHBondContact O-CB 3.04Å; K327-S330 PolarHBondContact O-N 2.95Å; K327-S330 VanDerWaalsContact O-N 3.13Å; K327-S330 PolarHBondContact O-OG 2.87Å
328	A	96	Very high	96.6	Very high	48 Å²	48	55 Å²	55	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-41.9	176.6	0	0	0	0	0	111.7	M149 Q324 L325 S330 A331	M149-A328 HydrophobicContact CE-CB 3.59Å; Q324-A328 PolarHBondContact O-N 3.27Å; L325-A328 PolarHBondContact O-N 2.99Å; A328-S330 PolarHBondContact O-N 3.38Å; A328-A331 WeakPolarHBondContact O-CB 2.77Å; A328-A331 PolarHBondContact O-N 3.27Å; A328-A331 VanDerWaalsContact O-N 3.12Å
329	L	95.5	Very high	96.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-30	173.1	-74.5	168.8	0	0	0	112.9	L111 F138 M149 L325 Y326 A331 R332	L111-L329 HydrophobicContact CD2-CB 4.25Å; L111-L329 HydrophobicContact CD2-CD1 3.72Å; F138-L329 HydrophobicContact CB-CD1 4.03Å; F138-L329 HydrophobicContact CD1-CD1 4.17Å; F138-L329 HydrophobicContact CD2-CD1 3.59Å; F138-L329 HydrophobicContact CD2-CD2 4.25Å; F138-L329 HydrophobicContact CE2-CD1 4.02Å; F138-L329 HydrophobicContact CE2-CD2 4.28Å; F138-L329 HydrophobicContact CG-CD1 3.67Å; F138-L329 HydrophobicContact CZ-CD1 4.45Å; M149-L329 HydrophobicContact CE-CD2 4.18Å; M149-L329 HydrophobicContact CE-CG 4.17Å; M149-L329 HydrophobicContact CG-CD2 3.75Å; M149-L329 HydrophobicContact SD-CD2 4.28Å; L325-L329 HydrophobicContact CG-CD1 4.38Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.23Å; Y326-L329 HydrophobicContact CD1-CD1 4.07Å; Y326-L329 PolarHBondContact O-N 3.33Å; L329-A331 PolarHBondContact O-N 2.77Å; L329-R332 WeakPolarHBondContact O-CD 3.44Å; L329-R332 VanDerWaalsContact O-CG 3.24Å; L329-R332 WeakPolarHBondContact O-CG 3.31Å; L329-R332 PolarHBondContact O-N 2.85Å; L329-R332 PolarHBondContact O-NE 2.87Å
330	S	94.7	Very high	96.6	Very high	55 Å²	55	46.4 Å²	46.4	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-24.3	177.4	78.8	0	0	0	0	113.9	Y326 K327 A328 R332 L333	Y326-S330 PolarHBondContact O-N 3.48Å; K327-S330 WeakPolarHBondContact O-CB 3.04Å; K327-S330 PolarHBondContact O-N 2.95Å; K327-S330 VanDerWaalsContact O-N 3.13Å; K327-S330 PolarHBondContact O-OG 2.87Å; A328-S330 PolarHBondContact O-N 3.38Å; S330-R332 PolarHBondContact O-N 3.29Å; S330-L333 PolarHBondContact O-N 2.97Å
331	A	94	Very high	96.6	Very high	88 Å²	88	43.4 Å²	43.4	73%	0.727	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.1	179.3	0	0	0	0	0	113.2	A328 L329 L333	A328-A331 WeakPolarHBondContact O-CB 2.77Å; A328-A331 PolarHBondContact O-N 3.27Å; A328-A331 VanDerWaalsContact O-N 3.12Å; L329-A331 PolarHBondContact O-N 2.77Å; A331-L333 VanDerWaalsContact C-N 3.33Å
332	R	92.6	Very high	96.7	Very high	56 Å²	56	40.6 Å²	40.6	21%	0.211	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.9	175.9	86.3	-150.2	170.7	100.7	-10	113.9	S110 L139 E145 L329 S330 C334	S110-R332 PolarHBondContact O-NH2 3.31Å; L139-R332 PolarHBondContact O-NH2 3.44Å; E145-R332 WeakPolarHBondContact OE1-CD 3.32Å; E145-R332 IonicContact OE1-CZ 3.26Å; E145-R332 IonicContact OE1-NE 3.64Å; E145-R332 IonicContact OE1-NH1 2.65Å; E145-R332 PolarHBondContact OE1-NH1 3.38Å; E145-R332 IonicContact OE2-CZ 2.99Å; E145-R332 VanDerWaalsContact OE2-CZ 3.26Å; E145-R332 IonicContact OE2-NH1 3.71Å; E145-R332 PolarHBondContact OE2-NH1 3.23Å; E145-R332 IonicContact OE2-NH2 3.81Å; L329-R332 WeakPolarHBondContact O-CD 3.44Å; L329-R332 VanDerWaalsContact O-CG 3.24Å; L329-R332 WeakPolarHBondContact O-CG 3.31Å; L329-R332 PolarHBondContact O-N 2.85Å; L329-R332 PolarHBondContact O-NE 2.87Å; S330-R332 PolarHBondContact O-N 3.29Å; R332-C334 VanDerWaalsContact C-N 3.35Å; R332-C334 PolarHBondContact O-N 2.95Å
333	L	93	Very high	96.7	Very high	90 Å²	90	39.5 Å²	39.5	47%	0.471	23%	0.228	S	C	.	.			trans	70.1	-74	-171.6	-48.1	172.7	0	0	0	113.2	Y107 S110 S330 A331	Y107-L333 HydrophobicContact CD1-CB 4.22Å; Y107-L333 HydrophobicContact CD1-CD1 4.41Å; Y107-L333 HydrophobicContact CE1-CB 4.16Å; Y107-L333 HydrophobicContact CE1-CD1 3.61Å; Y107-L333 HydrophobicContact CE2-CD1 4.37Å; Y107-L333 WeakPolarHBondContact OH-CD1 3.48Å; S110-L333 WeakPolarHBondContact CA-O 3.46Å; S110-L333 WeakPolarHBondContact CB-O 3.35Å; S110-L333 PolarHBondContact OG-O 2.97Å; S330-L333 PolarHBondContact O-N 2.97Å; A331-L333 VanDerWaalsContact C-N 3.33Å
334	C	96	Very high	96.7	Very high	22 Å²	22	37.2 Å²	37.2	15%	0.149	21%	0.208	C	C	.	.			trans	-160.4	161.7	178.3	75.9	0	0	0	0	112.3	S108 R332	S108-C334 VanDerWaalsContact O-CB 3.23Å; S108-C334 WeakPolarHBondContact O-CB 2.86Å; R332-C334 VanDerWaalsContact C-N 3.35Å; R332-C334 PolarHBondContact O-N 2.95Å
335	P	97.1	Very high	96.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.182	C	C	.	.			trans	-68.1	160	171.1	21.1	-21.8	0	0	0	111.5	L139 L337 Q340	L139-P335 HydrophobicContact CB-CG 3.84Å; L139-P335 WeakPolarHBondContact O-CG 3.17Å; P335-L337 PolarHBondContact O-N 3.04Å; P335-Q340 HydrophobicContact CG-CG 4.35Å; P335-Q340 PolarHBondContact O-NE2 3.07Å
336	P	97.1	Very high	96.7	Very high	57 Å²	57	31.7 Å²	31.7	37%	0.37	18%	0.182	S	C	.	.			trans	-58.2	127.1	178.9	-24.7	34.3	0	0	0	112.8	C141 M338 G339 Q340	C141-P336 HydrophobicContact CB-CG 4.33Å; P336-M338 PolarHBondContact O-N 3.33Å; P336-G339 PolarHBondContact O-N 2.97Å; P336-G339 VanDerWaalsContact O-N 3.13Å; P336-Q340 WeakPolarHBondContact O-CG 3.5Å; P336-Q340 PolarHBondContact O-N 2.91Å
337	L	97.6	Very high	96.8	Very high	14 Å²	14	30 Å²	30	7%	0.073	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-43.6	-174.7	-104.2	39.8	0	0	0	113.4	V104 S106 S108 P335 G339 Q340 V341	V104-L337 WeakPolarHBondContact O-CD2 3.42Å; S106-L337 WeakPolarHBondContact O-CD2 3.29Å; S108-L337 VanDerWaalsContact CB-CD1 3.49Å; S108-L337 VanDerWaalsContact OG-CD1 3.24Å; S108-L337 WeakPolarHBondContact OG-CD1 3.17Å; P335-L337 PolarHBondContact O-N 3.04Å; L337-G339 PolarHBondContact O-N 3.03Å; L337-Q340 VanDerWaalsContact CD1-NE2 3.26Å; L337-Q340 WeakPolarHBondContact O-CA 3.49Å; L337-Q340 WeakPolarHBondContact O-CB 3.4Å; L337-Q340 PolarHBondContact O-N 2.88Å; L337-V341 WeakPolarHBondContact O-CG2 3.43Å; L337-V341 PolarHBondContact O-N 3.01Å
338	M	97.9	Very high	96.8	Very high	43 Å²	43	24.9 Å²	24.9	21%	0.212	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-28.4	177.4	-68.7	-50.1	-56.9	0	0	112.6	T70 T74 V104 Y307 P336 Q340 V341 A342	T70-M338 HydrophobicContact CG2-CE 3.81Å; T74-M338 HydrophobicContact CG2-CE 3.48Å; T74-M338 VanDerWaalsContact CG2-CE 3.48Å; T74-M338 HydrophobicContact CG2-CG 4.41Å; T74-M338 HydrophobicContact CG2-SD 3.49Å; T74-M338 WeakPolarHBondContact CG2-SD 3.34Å; V104-M338 HydrophobicContact CB-SD 4.01Å; V104-M338 HydrophobicContact CG1-SD 4.28Å; V104-M338 HydrophobicContact CG2-SD 3.86Å; Y307-M338 HydrophobicContact CD1-CB 3.96Å; Y307-M338 WeakPolarHBondContact CD1-O 3.18Å; Y307-M338 HydrophobicContact CE1-CB 4.09Å; Y307-M338 HydrophobicContact CE1-CE 4.08Å; P336-M338 PolarHBondContact O-N 3.33Å; M338-Q340 VanDerWaalsContact C-N 3.34Å; M338-V341 HydrophobicContact CE-CB 4.39Å; M338-V341 HydrophobicContact CE-CG1 4.33Å; M338-V341 HydrophobicContact SD-CG2 4.49Å; M338-A342 WeakPolarHBondContact O-CB 3.29Å; M338-A342 PolarHBondContact O-N 3.18Å
339	G	98.2	Very high	96.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-37.7	169.7	0	0	0	0	0	112.6	Y307 G309 P336 L337 L343	Y307-G339 WeakPolarHBondContact O-CA 2.89Å; Y307-G339 PolarHBondContact O-N 3.15Å; G309-G339 VanDerWaalsContact CA-O 3.29Å; G309-G339 WeakPolarHBondContact CA-O 3.49Å; P336-G339 PolarHBondContact O-N 2.97Å; P336-G339 VanDerWaalsContact O-N 3.13Å; L337-G339 PolarHBondContact O-N 3.03Å; G339-L343 VanDerWaalsContact O-CB 3.25Å; G339-L343 WeakPolarHBondContact O-CB 3.38Å; G339-L343 PolarHBondContact O-N 2.86Å
340	Q	98.5	Very high	97	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-70	-41.7	176.2	-59.1	173.9	56.2	0	0	111.7	S108 G112 L139 P335 P336 L337 M338 L343 D344	S108-Q340 PolarHBondContact OG-NE2 3.14Å; S108-Q340 PolarHBondContact OG-OE1 3.36Å; G112-Q340 VanDerWaalsContact CA-OE1 3.23Å; L139-Q340 HydrophobicContact CB-CG 4.42Å; L139-Q340 HydrophobicContact CD1-CB 4.11Å; L139-Q340 HydrophobicContact CD1-CG 3.68Å; P335-Q340 HydrophobicContact CG-CG 4.35Å; P335-Q340 PolarHBondContact O-NE2 3.07Å; P336-Q340 WeakPolarHBondContact O-CG 3.5Å; P336-Q340 PolarHBondContact O-N 2.91Å; L337-Q340 VanDerWaalsContact CD1-NE2 3.26Å; L337-Q340 WeakPolarHBondContact O-CA 3.49Å; L337-Q340 WeakPolarHBondContact O-CB 3.4Å; L337-Q340 PolarHBondContact O-N 2.88Å; M338-Q340 VanDerWaalsContact C-N 3.34Å; Q340-L343 PolarHBondContact O-N 3.04Å; Q340-D344 PolarHBondContact O-N 2.86Å
341	V	98.6	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-47.8	175.3	172.2	0	0	0	0	111.3	V69 T70 A73 L95 V104 L337 M338 L343 D344 A345	V69-V341 HydrophobicContact CG1-CG1 3.94Å; T70-V341 HydrophobicContact CG2-CG1 3.94Å; A73-V341 HydrophobicContact CB-CG1 3.99Å; A73-V341 HydrophobicContact CB-CG2 4.34Å; L95-V341 HydrophobicContact CD1-CB 4.42Å; L95-V341 HydrophobicContact CD1-CG1 4Å; L95-V341 HydrophobicContact CD1-CG2 4.36Å; V104-V341 HydrophobicContact CG1-CG2 4.14Å; L337-V341 WeakPolarHBondContact O-CG2 3.43Å; L337-V341 PolarHBondContact O-N 3.01Å; M338-V341 HydrophobicContact CE-CB 4.39Å; M338-V341 HydrophobicContact CE-CG1 4.33Å; M338-V341 HydrophobicContact SD-CG2 4.49Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 2.83Å; V341-D344 PolarHBondContact O-N 3.28Å; V341-A345 PolarHBondContact O-N 2.96Å; V341-A345 VanDerWaalsContact O-N 3.14Å
342	A	98.4	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-39.9	177.2	0	0	0	0	0	111.7	V66 T70 Y307 M338 A345 I346	V66-A342 HydrophobicContact CG1-CB 4.28Å; T70-A342 HydrophobicContact CG2-CB 4.36Å; Y307-A342 HydrophobicContact CD1-CB 3.98Å; Y307-A342 HydrophobicContact CD2-CB 4.3Å; Y307-A342 HydrophobicContact CG-CB 3.83Å; M338-A342 WeakPolarHBondContact O-CB 3.29Å; M338-A342 PolarHBondContact O-N 3.18Å; A342-A345 PolarHBondContact O-N 2.95Å; A342-I346 VanDerWaalsContact O-CD1 3.3Å; A342-I346 WeakPolarHBondContact O-CD1 3.42Å; A342-I346 WeakPolarHBondContact O-CG1 3.28Å; A342-I346 PolarHBondContact O-N 2.69Å
343	L	98.6	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-44	175.8	-179.6	65.5	0	0	0	111.8	V116 V120 L139 M295 Y311 G339 Q340 V341 A345 I346 V347	V116-L343 HydrophobicContact CG1-CD2 4.4Å; V120-L343 HydrophobicContact CG2-CD2 4.28Å; L139-L343 HydrophobicContact CD2-CD2 3.76Å; M295-L343 HydrophobicContact CE-CD1 4.02Å; M295-L343 HydrophobicContact SD-CD1 3.84Å; Y311-L343 HydrophobicContact CD1-CD1 4.08Å; Y311-L343 HydrophobicContact CD1-CD2 4.18Å; G339-L343 VanDerWaalsContact O-CB 3.25Å; G339-L343 WeakPolarHBondContact O-CB 3.38Å; G339-L343 PolarHBondContact O-N 2.86Å; Q340-L343 PolarHBondContact O-N 3.04Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 2.83Å; L343-A345 PolarHBondContact O-N 2.78Å; L343-I346 WeakPolarHBondContact O-CB 3.39Å; L343-I346 PolarHBondContact O-N 3.36Å; L343-I346 VanDerWaalsContact O-N 3.07Å; L343-V347 HydrophobicContact CD1-CG1 3.95Å; L343-V347 HydrophobicContact CG-CG1 4.34Å; L343-V347 WeakPolarHBondContact O-CG2 3.28Å; L343-V347 PolarHBondContact O-N 2.85Å
344	D	98.6	Very high	97.8	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.011	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-45.3	177.7	-170	84.6	0	0	0	112.4	K91 L95 V116 Q340 V341 I346 V347 N348	K91-D344 IonicContact NZ-OD2 2.77Å; K91-D344 PolarHBondContact NZ-OD2 3.13Å; L95-D344 HydrophobicContact CD1-CB 4.24Å; L95-D344 HydrophobicContact CD2-CB 3.95Å; V116-D344 HydrophobicContact CG1-CB 4.09Å; V116-D344 HydrophobicContact CG2-CB 3.96Å; Q340-D344 PolarHBondContact O-N 2.86Å; V341-D344 PolarHBondContact O-N 3.28Å; D344-I346 PolarHBondContact O-N 2.97Å; D344-V347 PolarHBondContact O-N 2.94Å; D344-N348 PolarHBondContact O-N 3.1Å
345	A	98.3	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-19.1	177.1	0	0	0	0	0	113.4	F65 V66 V69 K91 V341 A342 L343	F65-A345 HydrophobicContact CD1-CB 4.15Å; F65-A345 HydrophobicContact CE1-CB 4.02Å; F65-A345 WeakPolarHBondContact CE1-O 3.4Å; V66-A345 HydrophobicContact CG2-CB 4.18Å; V69-A345 HydrophobicContact CB-CB 4.33Å; V69-A345 HydrophobicContact CG1-CB 4.32Å; V69-A345 HydrophobicContact CG2-CB 4.43Å; K91-A345 HydrophobicContact CD-CB 4.43Å; V341-A345 PolarHBondContact O-N 2.96Å; V341-A345 VanDerWaalsContact O-N 3.14Å; A342-A345 PolarHBondContact O-N 2.95Å; L343-A345 PolarHBondContact O-N 2.78Å
346	I	97.2	Very high	98	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-94.3	-43.3	-179.8	-72.6	164.6	0	0	0	111.7	V66 M295 C297 M302 E304 A342 L343 D344	V66-I346 HydrophobicContact CG2-CG1 4.12Å; M295-I346 HydrophobicContact CE-CG2 3.94Å; C297-I346 HydrophobicContact CB-CD1 3.23Å; M302-I346 HydrophobicContact CB-CD1 3.77Å; M302-I346 HydrophobicContact CB-CG1 4.44Å; M302-I346 HydrophobicContact CG-CD1 3.57Å; M302-I346 HydrophobicContact CG-CG1 3.81Å; M302-I346 HydrophobicContact CG-CG2 3.92Å; M302-I346 HydrophobicContact SD-CB 4.33Å; M302-I346 HydrophobicContact SD-CD1 3.77Å; M302-I346 HydrophobicContact SD-CG1 4.16Å; M302-I346 HydrophobicContact SD-CG2 3.29Å; M302-I346 WeakPolarHBondContact SD-CG2 3.38Å; E304-I346 HydrophobicContact CG-CD1 4.5Å; A342-I346 VanDerWaalsContact O-CD1 3.3Å; A342-I346 WeakPolarHBondContact O-CD1 3.42Å; A342-I346 WeakPolarHBondContact O-CG1 3.28Å; A342-I346 PolarHBondContact O-N 2.69Å; L343-I346 WeakPolarHBondContact O-CB 3.39Å; L343-I346 PolarHBondContact O-N 3.36Å; L343-I346 VanDerWaalsContact O-N 3.07Å; D344-I346 PolarHBondContact O-N 2.97Å
347	V	97.8	Very high	98.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-83	-21.4	-177.6	-57.7	0	0	0	0	112.2	D119 V120 Y123 M295 Y311 L343 D344 P349	D119-V347 HydrophobicContact CB-CG2 4.31Å; V120-V347 HydrophobicContact CG2-CB 4.49Å; V120-V347 HydrophobicContact CG2-CG1 4.24Å; V120-V347 HydrophobicContact CG2-CG2 3.95Å; Y123-V347 WeakPolarHBondContact CB-O 3.49Å; Y123-V347 HydrophobicContact CD1-CB 4.34Å; Y123-V347 HydrophobicContact CD1-CG1 4.16Å; Y123-V347 HydrophobicContact CD2-CB 4.08Å; Y123-V347 HydrophobicContact CD2-CG1 4.49Å; Y123-V347 WeakPolarHBondContact CD2-O 3.23Å; Y123-V347 HydrophobicContact CG-CB 3.79Å; Y123-V347 HydrophobicContact CG-CG1 4.11Å; M295-V347 HydrophobicContact CE-CG1 3.75Å; Y311-V347 HydrophobicContact CE1-CG1 4.22Å; L343-V347 HydrophobicContact CD1-CG1 3.95Å; L343-V347 HydrophobicContact CG-CG1 4.34Å; L343-V347 WeakPolarHBondContact O-CG2 3.28Å; L343-V347 PolarHBondContact O-N 2.85Å; D344-V347 PolarHBondContact O-N 2.94Å; V347-P349 WeakPolarHBondContact O-CD 3.31Å
348	N	97.9	Very high	98.1	Very high	34 Å²	34	37.6 Å²	37.6	18%	0.182	22%	0.224	C	C	.	.	S	Bend	trans	-124.8	67.9	172.1	-175.8	25.2	0	0	0	109.4	K91 D119 D344	K91-N348 WeakPolarHBondContact CE-O 3.22Å; K91-N348 PolarHBondContact NZ-ND2 2.9Å; K91-N348 PolarHBondContact NZ-O 3.43Å; D119-N348 HydrophobicContact CB-CB 4.06Å; D119-N348 PolarHBondContact OD2-ND2 3.1Å; D344-N348 PolarHBondContact O-N 3.1Å
349	P	97.5	Very high	98.2	Very high	36 Å²	36	39.3 Å²	39.3	23%	0.234	23%	0.233	C	C	.	.			trans	-70.7	169.3	-179.2	33.4	-37	0	0	0	111.4	V347 F360	V347-P349 WeakPolarHBondContact O-CD 3.31Å; P349-F360 HydrophobicContact CB-CD1 4.38Å; P349-F360 HydrophobicContact CB-CE1 3.63Å; P349-F360 HydrophobicContact CB-CE2 4.08Å; P349-F360 HydrophobicContact CB-CZ 3.44Å; P349-F360 VanDerWaalsContact CB-CZ 3.44Å; P349-F360 HydrophobicContact CG-CE1 4.43Å; P349-F360 HydrophobicContact CG-CZ 4.42Å
350	P	98.3	Very high	98.2	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.032	23%	0.234	C	C	.	.			trans	-61.1	152	175.6	27.5	-35.3	0	0	0	111.1	F65 E354 Y357 F360	F65-P350 HydrophobicContact CD1-CG 4.49Å; F65-P350 HydrophobicContact CD2-CB 4.4Å; F65-P350 HydrophobicContact CD2-CG 4.03Å; F65-P350 HydrophobicContact CE2-CB 4.14Å; F65-P350 HydrophobicContact CE2-CG 4.18Å; F65-P350 HydrophobicContact CG-CG 4.18Å; F65-P350 HydrophobicContact CZ-CB 4.48Å; F65-P350 HydrophobicContact CZ-CG 4.47Å; P350-E354 WeakPolarHBondContact CA-OE2 3.46Å; P350-E354 HydrophobicContact CB-CB 4.44Å; P350-Y357 VanDerWaalsContact O-CD2 3.31Å; P350-Y357 WeakPolarHBondContact O-CD2 3.22Å; P350-F360 HydrophobicContact CG-CB 3.56Å; P350-F360 HydrophobicContact CG-CD1 3.98Å; P350-F360 HydrophobicContact CG-CD2 4.24Å; P350-F360 HydrophobicContact CG-CG 3.66Å
351	R	97.5	Very high	98.2	Very high	126 Å²	126	40.6 Å²	40.6	48%	0.475	24%	0.241	S	C	.	.			trans	-109.1	158.2	-174.3	-60	177.6	-173.2	-173.9	4.5	111.8	G353 E354 Y357	R351-G353 PolarHBondContact O-N 2.93Å; R351-G353 VanDerWaalsContact O-N 3.17Å; R351-E354 HydrophobicContact CB-CG 4.31Å; R351-E354 PolarHBondContact N-OE2 3.05Å; R351-E354 WeakPolarHBondContact O-CB 3.37Å; R351-E354 PolarHBondContact O-N 3.1Å; R351-Y357 VanDerWaalsContact O-CB 3.27Å; R351-Y357 WeakPolarHBondContact O-CB 3.36Å
352	P	98	Very high	98.2	Very high	103 Å²	103	46.7 Å²	46.7	67%	0.669	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	125.1	172.3	-25.8	33.1	0	0	0	111.8	Y357	P352-Y357 HydrophobicContact CB-CE1 4.31Å; P352-Y357 HydrophobicContact CG-CE1 4.18Å; P352-Y357 HydrophobicContact CG-CE2 3.89Å
353	G	97.4	Very high	98.2	Very high	83 Å²	83	48.3 Å²	48.3	86%	0.856	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-14.8	-176.2	0	0	0	0	0	114.7	R351	R351-G353 PolarHBondContact O-N 2.93Å; R351-G353 VanDerWaalsContact O-N 3.17Å
354	E	98.2	Very high	98.2	Very high	74 Å²	74	51.8 Å²	51.8	35%	0.346	29%	0.288	S	S	.	.	S	Bend	trans	-82.5	146.7	174.8	-65.4	179.8	160.4	0	0	111.7	D87 P350 R351 S356 Y357	D87-E354 HydrophobicContact CB-CB 4.14Å; D87-E354 HydrophobicContact CB-CG 4.49Å; P350-E354 WeakPolarHBondContact CA-OE2 3.46Å; P350-E354 HydrophobicContact CB-CB 4.44Å; R351-E354 HydrophobicContact CB-CG 4.31Å; R351-E354 PolarHBondContact N-OE2 3.05Å; R351-E354 WeakPolarHBondContact O-CB 3.37Å; R351-E354 PolarHBondContact O-N 3.1Å; E354-S356 VanDerWaalsContact C-N 3.29Å; E354-S356 PolarHBondContact O-N 3.13Å; E354-Y357 VanDerWaalsContact O-CB 3.32Å; E354-Y357 WeakPolarHBondContact O-CB 3.41Å; E354-Y357 PolarHBondContact O-N 3.26Å; E354-Y357 VanDerWaalsContact O-N 3.12Å
355	P	98.2	Very high	98.1	Very high	92 Å²	92	54.9 Å²	54.9	60%	0.597	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-34	-173.2	-28.1	35.7	0	0	0	115.4	P85	P85-P355 HydrophobicContact CB-CB 4.12Å
356	S	98.5	Very high	98.1	Very high	8 Å²	8	59.4 Å²	59.4	6%	0.056	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.4	-177.4	-53.4	0	0	0	0	113.8	P85 D87 T88 E354 S358 L359 F360	P85-S356 VanDerWaalsContact CB-OG 3.32Å; P85-S356 WeakPolarHBondContact CB-OG 3.43Å; D87-S356 VanDerWaalsContact CG-OG 3.26Å; D87-S356 PolarHBondContact OD1-OG 3.02Å; D87-S356 WeakPolarHBondContact OD2-CA 3.49Å; D87-S356 WeakPolarHBondContact OD2-CB 3.33Å; D87-S356 PolarHBondContact OD2-N 2.96Å; D87-S356 PolarHBondContact OD2-OG 3.03Å; T88-S356 WeakPolarHBondContact CG2-OG 3.1Å; E354-S356 VanDerWaalsContact C-N 3.29Å; E354-S356 PolarHBondContact O-N 3.13Å; S356-S358 PolarHBondContact O-N 2.89Å; S356-L359 PolarHBondContact O-N 3.41Å; S356-F360 WeakPolarHBondContact O-CB 3.47Å; S356-F360 PolarHBondContact O-N 2.81Å
357	Y	98.7	Very high	98	Very high	76 Å²	76	60.2 Å²	60.2	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-52.9	-170.2	178.3	-103.8	0	0	0	113.7	P350 R351 P352 E354 L359 F360 V361	P350-Y357 VanDerWaalsContact O-CD2 3.31Å; P350-Y357 WeakPolarHBondContact O-CD2 3.22Å; R351-Y357 VanDerWaalsContact O-CB 3.27Å; R351-Y357 WeakPolarHBondContact O-CB 3.36Å; P352-Y357 HydrophobicContact CB-CE1 4.31Å; P352-Y357 HydrophobicContact CG-CE1 4.18Å; P352-Y357 HydrophobicContact CG-CE2 3.89Å; E354-Y357 VanDerWaalsContact O-CB 3.32Å; E354-Y357 WeakPolarHBondContact O-CB 3.41Å; E354-Y357 PolarHBondContact O-N 3.26Å; E354-Y357 VanDerWaalsContact O-N 3.12Å; Y357-L359 VanDerWaalsContact C-N 3.3Å; Y357-L359 PolarHBondContact O-N 3.12Å; Y357-F360 PolarHBondContact O-N 2.97Å; Y357-V361 HydrophobicContact CD1-CG2 4.39Å; Y357-V361 HydrophobicContact CD2-CG2 4.03Å; Y357-V361 HydrophobicContact CE1-CG2 3.98Å; Y357-V361 HydrophobicContact CE2-CG2 3.59Å; Y357-V361 HydrophobicContact CG-CG2 4.42Å; Y357-V361 WeakPolarHBondContact O-CG2 3.42Å; Y357-V361 PolarHBondContact O-N 3.33Å
358	S	98.6	Very high	98	Very high	95 Å²	95	61.8 Å²	61.8	66%	0.664	34%	0.342	S	S	*	.	H	α-helix	trans	-62.2	-38.5	-174.8	-58.7	0	0	0	0	112.3	S356 K362	S356-S358 PolarHBondContact O-N 2.89Å; S358-K362 WeakPolarHBondContact O-CB 3.27Å; S358-K362 PolarHBondContact O-N 3.07Å
359	L	98.6	Very high	97.9	Very high	79 Å²	79	63.2 Å²	63.2	41%	0.414	36%	0.355	S	S	.	.	H	α-helix	trans	-70.8	-45.3	176.7	-179.8	60.1	0	0	0	111	T64 S356 Y357 V361 K362 E363	T64-L359 HydrophobicContact CG2-CD2 3.86Å; S356-L359 PolarHBondContact O-N 3.41Å; Y357-L359 VanDerWaalsContact C-N 3.3Å; Y357-L359 PolarHBondContact O-N 3.12Å; L359-V361 PolarHBondContact O-N 2.97Å; L359-K362 PolarHBondContact O-N 2.76Å; L359-E363 HydrophobicContact CD1-CG 3.99Å; L359-E363 HydrophobicContact CG-CG 4.31Å; L359-E363 WeakPolarHBondContact O-CG 3.47Å; L359-E363 PolarHBondContact O-N 2.81Å
360	F	98.6	Very high	97.8	Very high	7 Å²	7	62.9 Å²	62.9	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-57.3	-48.2	178	172.3	-93.5	0	0	0	112.2	I63 F65 Y301 P349 P350 S356 Y357 K362 E363 R364	I63-F360 HydrophobicContact CG2-CD2 3.6Å; I63-F360 HydrophobicContact CG2-CE2 3.9Å; F65-F360 HydrophobicContact CB-CD2 3.95Å; F65-F360 HydrophobicContact CG-CD2 4.47Å; Y301-F360 HydrophobicContact CE2-CE2 4.13Å; Y301-F360 HydrophobicContact CE2-CZ 4.05Å; Y301-F360 WeakPolarHBondContact OH-CZ 3.39Å; P349-F360 HydrophobicContact CB-CD1 4.38Å; P349-F360 HydrophobicContact CB-CE1 3.63Å; P349-F360 HydrophobicContact CB-CE2 4.08Å; P349-F360 HydrophobicContact CB-CZ 3.44Å; P349-F360 VanDerWaalsContact CB-CZ 3.44Å; P349-F360 HydrophobicContact CG-CE1 4.43Å; P349-F360 HydrophobicContact CG-CZ 4.42Å; P350-F360 HydrophobicContact CG-CB 3.56Å; P350-F360 HydrophobicContact CG-CD1 3.98Å; P350-F360 HydrophobicContact CG-CD2 4.24Å; P350-F360 HydrophobicContact CG-CG 3.66Å; S356-F360 WeakPolarHBondContact O-CB 3.47Å; S356-F360 PolarHBondContact O-N 2.81Å; Y357-F360 PolarHBondContact O-N 2.97Å; F360-K362 PolarHBondContact O-N 2.9Å; F360-E363 PolarHBondContact O-N 3.33Å; F360-R364 VanDerWaalsContact O-CB 3.3Å; F360-R364 WeakPolarHBondContact O-CB 3.32Å; F360-R364 PolarHBondContact O-N 3.48Å
361	V	98.4	Very high	97.8	Very high	25 Å²	25	62.7 Å²	62.7	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-61	-46.3	178.1	169	0	0	0	0	110.6	Y357 L359 R364 D365	Y357-V361 HydrophobicContact CD1-CG2 4.39Å; Y357-V361 HydrophobicContact CD2-CG2 4.03Å; Y357-V361 HydrophobicContact CE1-CG2 3.98Å; Y357-V361 HydrophobicContact CE2-CG2 3.59Å; Y357-V361 HydrophobicContact CG-CG2 4.42Å; Y357-V361 WeakPolarHBondContact O-CG2 3.42Å; Y357-V361 PolarHBondContact O-N 3.33Å; L359-V361 PolarHBondContact O-N 2.97Å; V361-R364 PolarHBondContact O-N 3.18Å; V361-D365 WeakPolarHBondContact CG1-OD2 3.49Å; V361-D365 VanDerWaalsContact O-CB 3.31Å; V361-D365 WeakPolarHBondContact O-CB 3.35Å; V361-D365 PolarHBondContact O-N 3.4Å
362	K	98.6	Very high	97.7	Very high	129 Å²	129	60.8 Å²	60.8	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-58.9	-50.3	177.7	-177.2	-175.1	176.1	-171.3	0	111.9	S358 L359 F360 R364 D365 D366	S358-K362 WeakPolarHBondContact O-CB 3.27Å; S358-K362 PolarHBondContact O-N 3.07Å; L359-K362 PolarHBondContact O-N 2.76Å; F360-K362 PolarHBondContact O-N 2.9Å; K362-R364 PolarHBondContact O-N 3.14Å; K362-D365 PolarHBondContact O-N 3.46Å; K362-D366 VanDerWaalsContact O-CB 3.29Å; K362-D366 WeakPolarHBondContact O-CB 3.25Å; K362-D366 PolarHBondContact O-N 2.97Å
363	E	98.6	Very high	97.7	Very high	33 Å²	33	59.3 Å²	59.3	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-43.3	-179.4	-70.4	175.6	153.6	0	0	112.1	I63 T64 L359 F360 V367	I63-E363 HydrophobicContact CD1-CB 3.8Å; T64-E363 VanDerWaalsContact CB-OE1 3.28Å; T64-E363 WeakPolarHBondContact CB-OE1 3.26Å; T64-E363 WeakPolarHBondContact CB-OE2 3.5Å; T64-E363 PolarHBondContact N-OE2 3.44Å; T64-E363 PolarHBondContact OG1-OE1 3.47Å; L359-E363 HydrophobicContact CD1-CG 3.99Å; L359-E363 HydrophobicContact CG-CG 4.31Å; L359-E363 WeakPolarHBondContact O-CG 3.47Å; L359-E363 PolarHBondContact O-N 2.81Å; F360-E363 PolarHBondContact O-N 3.33Å; E363-V367 VanDerWaalsContact O-CG2 3.3Å; E363-V367 WeakPolarHBondContact O-CG2 3.48Å; E363-V367 PolarHBondContact O-N 3.39Å; E363-V367 VanDerWaalsContact O-N 3.12Å
364	R	97.6	Very high	97.7	Very high	73 Å²	73	56.3 Å²	56.3	28%	0.275	30%	0.298	S	S	.	.	H	α-helix	trans	-57.9	-52.1	174.8	178.9	-162.4	71.1	-167.5	-2	110.8	Y301 F360 V361 K362 V367 L368	Y301-R364 HydrophobicContact CD1-CG 3.75Å; Y301-R364 HydrophobicContact CD2-CB 3.9Å; Y301-R364 HydrophobicContact CD2-CG 3.67Å; Y301-R364 HydrophobicContact CE1-CG 3.94Å; Y301-R364 HydrophobicContact CE2-CB 4.11Å; Y301-R364 HydrophobicContact CE2-CG 3.87Å; Y301-R364 HydrophobicContact CG-CB 4.28Å; Y301-R364 HydrophobicContact CG-CG 3.61Å; F360-R364 VanDerWaalsContact O-CB 3.3Å; F360-R364 WeakPolarHBondContact O-CB 3.32Å; F360-R364 PolarHBondContact O-N 3.48Å; V361-R364 PolarHBondContact O-N 3.18Å; K362-R364 PolarHBondContact O-N 3.14Å; R364-V367 PolarHBondContact O-N 3.39Å; R364-L368 HydrophobicContact CG-CD1 3.96Å; R364-L368 WeakPolarHBondContact O-CG 3.42Å; R364-L368 PolarHBondContact O-N 3.45Å
365	D	97.4	Very high	97.7	Very high	67 Å²	67	52.8 Å²	52.8	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-37.9	-174.4	-66.9	-9.4	0	0	0	111.4	V361 K362 V367 L368 S369	V361-D365 WeakPolarHBondContact CG1-OD2 3.49Å; V361-D365 VanDerWaalsContact O-CB 3.31Å; V361-D365 WeakPolarHBondContact O-CB 3.35Å; V361-D365 PolarHBondContact O-N 3.4Å; K362-D365 PolarHBondContact O-N 3.46Å; D365-V367 VanDerWaalsContact C-N 3.34Å; D365-V367 PolarHBondContact O-N 3.3Å; D365-L368 PolarHBondContact O-N 2.86Å; D365-S369 WeakPolarHBondContact O-CB 3.26Å; D365-S369 PolarHBondContact O-N 3Å
366	D	97.5	Very high	97.6	Very high	96 Å²	96	51.3 Å²	51.3	51%	0.513	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-44	173.5	-76	-13.6	0	0	0	111.1	K362 A370	K362-D366 VanDerWaalsContact O-CB 3.29Å; K362-D366 WeakPolarHBondContact O-CB 3.25Å; K362-D366 PolarHBondContact O-N 2.97Å; D366-A370 VanDerWaalsContact O-CB 3.29Å; D366-A370 WeakPolarHBondContact O-CB 3.49Å; D366-A370 PolarHBondContact O-N 2.83Å
367	V	96.8	Very high	97.6	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.121	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-46.1	178.1	174.4	0	0	0	0	111.5	Q60 E363 R364 D365 A370 L371	Q60-V367 HydrophobicContact CG-CG1 3.99Å; Q60-V367 HydrophobicContact CG-CG2 4.18Å; E363-V367 VanDerWaalsContact O-CG2 3.3Å; E363-V367 WeakPolarHBondContact O-CG2 3.48Å; E363-V367 PolarHBondContact O-N 3.39Å; E363-V367 VanDerWaalsContact O-N 3.12Å; R364-V367 PolarHBondContact O-N 3.39Å; D365-V367 VanDerWaalsContact C-N 3.34Å; D365-V367 PolarHBondContact O-N 3.3Å; V367-A370 PolarHBondContact O-N 3.12Å; V367-L371 HydrophobicContact CG1-CD1 4.06Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.5Å; V367-L371 PolarHBondContact O-N 3.26Å
368	L	96.5	Very high	97.6	Very high	37 Å²	37	49.2 Å²	49.2	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-41.5	179.7	-69.9	175.8	0	0	0	112	Q261 R364 D365 L371 K372	Q261-L368 VanDerWaalsContact O-CD2 3.3Å; Q261-L368 WeakPolarHBondContact O-CD2 3.19Å; R364-L368 HydrophobicContact CG-CD1 3.96Å; R364-L368 WeakPolarHBondContact O-CG 3.42Å; R364-L368 PolarHBondContact O-N 3.45Å; D365-L368 PolarHBondContact O-N 2.86Å; L368-L371 PolarHBondContact O-N 3.1Å; L368-K372 PolarHBondContact O-N 3.49Å
369	S	96.5	Very high	97.6	Very high	64 Å²	64	48.7 Å²	48.7	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-47.5	175	-173.1	0	0	0	0	111.2	D365 L371 K372 D373	D365-S369 WeakPolarHBondContact O-CB 3.26Å; D365-S369 PolarHBondContact O-N 3Å; S369-L371 VanDerWaalsContact C-N 3.3Å; S369-L371 PolarHBondContact O-N 3.22Å; S369-K372 WeakPolarHBondContact O-CB 3.4Å; S369-K372 PolarHBondContact O-N 3.39Å; S369-K372 VanDerWaalsContact O-N 3.15Å; S369-D373 PolarHBondContact O-N 2.99Å
370	A	96.1	Very high	97.5	Very high	29 Å²	29	48.3 Å²	48.3	24%	0.24	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-36.2	176.6	0	0	0	0	0	112.6	D366 V367 K374	D366-A370 VanDerWaalsContact O-CB 3.29Å; D366-A370 WeakPolarHBondContact O-CB 3.49Å; D366-A370 PolarHBondContact O-N 2.83Å; V367-A370 PolarHBondContact O-N 3.12Å; A370-K374 WeakPolarHBondContact O-CD 3.44Å; A370-K374 WeakPolarHBondContact O-CG 3.17Å; A370-K374 PolarHBondContact O-N 2.97Å; A370-K374 VanDerWaalsContact O-N 3.09Å
371	L	96.7	Very high	97.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-40	175.2	-74.5	170	0	0	0	111.9	Y264 V367 L368 S369 K374 A375 L456	Y264-L371 HydrophobicContact CD1-CB 4.41Å; Y264-L371 HydrophobicContact CE1-CB 3.46Å; Y264-L371 VanDerWaalsContact CE1-CB 3.46Å; V367-L371 HydrophobicContact CG1-CD1 4.06Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.5Å; V367-L371 PolarHBondContact O-N 3.26Å; L368-L371 PolarHBondContact O-N 3.1Å; S369-L371 VanDerWaalsContact C-N 3.3Å; S369-L371 PolarHBondContact O-N 3.22Å; L371-K374 PolarHBondContact O-N 3.37Å; L371-A375 WeakPolarHBondContact O-CB 3.36Å; L371-A375 PolarHBondContact O-N 3.01Å; L371-L456 HydrophobicContact CD2-CD2 4.07Å
372	K	97.2	Very high	97.5	Very high	85 Å²	85	47.8 Å²	47.8	37%	0.37	25%	0.25	S	S	.	.	H	α-helix	trans	-59.3	-48.6	173.2	174.8	179.7	-176.2	-177.6	0	111.6	Y264 L368 S369 K374 A375 D376	Y264-K372 HydrophobicContact CD1-CB 3.91Å; Y264-K372 HydrophobicContact CG-CB 4.26Å; Y264-K372 VanDerWaalsContact O-CD 3.3Å; Y264-K372 WeakPolarHBondContact O-CD 3.26Å; Y264-K372 VanDerWaalsContact O-CE 3.26Å; Y264-K372 WeakPolarHBondContact O-CE 3.31Å; L368-K372 PolarHBondContact O-N 3.49Å; S369-K372 WeakPolarHBondContact O-CB 3.4Å; S369-K372 PolarHBondContact O-N 3.39Å; S369-K372 VanDerWaalsContact O-N 3.15Å; K372-K374 VanDerWaalsContact C-N 3.28Å; K372-K374 PolarHBondContact O-N 3.46Å; K372-A375 WeakPolarHBondContact O-CB 3.24Å; K372-A375 PolarHBondContact O-N 3.44Å; K372-A375 VanDerWaalsContact O-N 3.14Å; K372-D376 PolarHBondContact O-N 3.17Å
373	D	97.4	Very high	97.5	Very high	72 Å²	72	44.7 Å²	44.7	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-40.5	177.9	-71	-14.1	0	0	0	111.9	S369 D376 I377 I459	S369-D373 PolarHBondContact O-N 2.99Å; D373-D376 PolarHBondContact O-N 3.14Å; D373-I377 WeakPolarHBondContact O-CB 3.32Å; D373-I377 WeakPolarHBondContact O-CD1 3.39Å; D373-I377 WeakPolarHBondContact O-CG1 3.46Å; D373-I377 PolarHBondContact O-N 3.33Å; D373-I459 HydrophobicContact CB-CD1 4.12Å
374	K	97.2	Very high	97.5	Very high	20 Å²	20	46.7 Å²	46.7	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-36.2	177.6	-66	166.4	-165.1	-173	0	112.2	A370 L371 K372 T378 I455 L456 P457 I459 M462	A370-K374 WeakPolarHBondContact O-CD 3.44Å; A370-K374 WeakPolarHBondContact O-CG 3.17Å; A370-K374 PolarHBondContact O-N 2.97Å; A370-K374 VanDerWaalsContact O-N 3.09Å; L371-K374 PolarHBondContact O-N 3.37Å; K372-K374 VanDerWaalsContact C-N 3.28Å; K372-K374 PolarHBondContact O-N 3.46Å; K374-T378 WeakPolarHBondContact O-CB 3.36Å; K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 3.33Å; K374-I455 HydrophobicContact CB-CB 4.12Å; K374-I455 WeakPolarHBondContact CB-O 3.45Å; K374-I455 WeakPolarHBondContact CD-O 3.33Å; K374-L456 PolarHBondContact NZ-O 3.09Å; K374-P457 WeakPolarHBondContact CD-O 3.3Å; K374-P457 WeakPolarHBondContact CE-O 3.41Å; K374-P457 PolarHBondContact NZ-O 3.04Å; K374-I459 HydrophobicContact CG-CG1 3.87Å; K374-M462 HydrophobicContact CB-CG 4.41Å; K374-M462 HydrophobicContact CD-CG 4.49Å; K374-M462 HydrophobicContact CG-CG 4.14Å
375	A	97.5	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-49.7	171.9	0	0	0	0	0	110.6	Y264 L371 K372 T378 Y379 V393 I455	Y264-A375 HydrophobicContact CD2-CB 3.7Å; Y264-A375 HydrophobicContact CE2-CB 3.9Å; Y264-A375 HydrophobicContact CG-CB 4.32Å; L371-A375 WeakPolarHBondContact O-CB 3.36Å; L371-A375 PolarHBondContact O-N 3.01Å; K372-A375 WeakPolarHBondContact O-CB 3.24Å; K372-A375 PolarHBondContact O-N 3.44Å; K372-A375 VanDerWaalsContact O-N 3.14Å; A375-T378 PolarHBondContact O-N 3.4Å; A375-Y379 WeakPolarHBondContact O-CB 3.44Å; A375-Y379 PolarHBondContact O-N 2.85Å; A375-V393 HydrophobicContact CB-CB 3.94Å; A375-V393 HydrophobicContact CB-CG1 4.11Å; A375-I455 HydrophobicContact CB-CD1 3.73Å
376	D	97.6	Very high	97.5	Very high	61 Å²	61	43.7 Å²	43.7	33%	0.326	25%	0.25	S	S	.	.	H	α-helix	trans	-65.6	-42.1	-179.5	-71.6	-21.8	0	0	0	112.6	K372 D373 T378 S380	K372-D376 PolarHBondContact O-N 3.17Å; D373-D376 PolarHBondContact O-N 3.14Å; D376-T378 VanDerWaalsContact C-N 3.34Å; D376-T378 PolarHBondContact O-N 3.35Å; D376-S380 VanDerWaalsContact O-CB 3.26Å; D376-S380 WeakPolarHBondContact O-CB 3.33Å; D376-S380 PolarHBondContact O-N 2.83Å; D376-S380 PolarHBondContact O-OG 2.58Å
377	I	97.9	Very high	97.5	Very high	41 Å²	41	43.8 Å²	43.8	21%	0.21	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-46.5	174.5	-72.6	164.5	0	0	0	110.6	D373 A381 I459 K463 M466	D373-I377 WeakPolarHBondContact O-CB 3.32Å; D373-I377 WeakPolarHBondContact O-CD1 3.39Å; D373-I377 WeakPolarHBondContact O-CG1 3.46Å; D373-I377 PolarHBondContact O-N 3.33Å; I377-A381 VanDerWaalsContact O-CB 3.24Å; I377-A381 WeakPolarHBondContact O-CB 3.48Å; I377-A381 PolarHBondContact O-N 3.2Å; I377-I459 HydrophobicContact CD1-CG2 3.84Å; I377-K463 HydrophobicContact CG2-CG 4.49Å; I377-M466 HydrophobicContact CG2-CG 4.4Å
378	T	98.1	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-48.6	-178	-56	0	0	0	0	110.9	K374 A375 D376 S380 A381 L382 A399 T453 I455 M462 M466	K374-T378 WeakPolarHBondContact O-CB 3.36Å; K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 3.33Å; A375-T378 PolarHBondContact O-N 3.4Å; D376-T378 VanDerWaalsContact C-N 3.34Å; D376-T378 PolarHBondContact O-N 3.35Å; T378-S380 PolarHBondContact O-N 2.77Å; T378-A381 PolarHBondContact O-N 2.96Å; T378-L382 HydrophobicContact CG2-CD1 3.6Å; T378-L382 HydrophobicContact CG2-CG 4.31Å; T378-L382 WeakPolarHBondContact O-CB 3.49Å; T378-L382 VanDerWaalsContact O-CG 3.24Å; T378-L382 WeakPolarHBondContact O-CG 3.3Å; T378-L382 PolarHBondContact O-N 3.39Å; T378-A399 HydrophobicContact CG2-CB 3.87Å; T378-T453 HydrophobicContact CG2-CG2 4.2Å; T378-I455 HydrophobicContact CG2-CG2 4.03Å; T378-I455 WeakPolarHBondContact OG1-CG2 3.45Å; T378-M462 HydrophobicContact CG2-CE 4.47Å; T378-M462 WeakPolarHBondContact OG1-CE 3.3Å; T378-M466 HydrophobicContact CG2-CE 4Å; T378-M466 HydrophobicContact CG2-SD 4.25Å
379	Y	97.9	Very high	97.7	Very high	83 Å²	83	43.4 Å²	43.4	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-58.6	-47.3	177.9	170	-103.7	0	0	0	111.8	A375 N383 C390 N391 P392	A375-Y379 WeakPolarHBondContact O-CB 3.44Å; A375-Y379 PolarHBondContact O-N 2.85Å; Y379-N383 WeakPolarHBondContact CD2-ND2 3.3Å; Y379-N383 WeakPolarHBondContact CE2-ND2 3.37Å; Y379-N383 WeakPolarHBondContact O-CB 3.26Å; Y379-N383 PolarHBondContact O-N 3.02Å; Y379-N383 VanDerWaalsContact O-N 3.16Å; Y379-N383 PolarHBondContact O-ND2 3.36Å; Y379-C390 WeakPolarHBondContact CD2-O 3.29Å; Y379-C390 WeakPolarHBondContact CE2-O 3.37Å; Y379-N391 WeakPolarHBondContact CD2-O 3.39Å; Y379-P392 VanDerWaalsContact CD2-CA 3.45Å; Y379-P392 HydrophobicContact CD2-CB 4.32Å; Y379-P392 HydrophobicContact CD2-CG 4.36Å; Y379-P392 HydrophobicContact CE2-CB 4.16Å; Y379-P392 HydrophobicContact CE2-CG 3.71Å
380	S	98.2	Very high	97.8	Very high	72 Å²	72	40.7 Å²	40.7	50%	0.503	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-44.6	-178.3	-56.5	0	0	0	0	111.8	D376 T378 S384	D376-S380 VanDerWaalsContact O-CB 3.26Å; D376-S380 WeakPolarHBondContact O-CB 3.33Å; D376-S380 PolarHBondContact O-N 2.83Å; D376-S380 PolarHBondContact O-OG 2.58Å; T378-S380 PolarHBondContact O-N 2.77Å; S380-S384 PolarHBondContact O-N 2.65Å; S380-S384 VanDerWaalsContact O-N 3.1Å
381	A	98.5	Very high	97.8	Very high	21 Å²	21	40.8 Å²	40.8	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-40.2	-178.9	0	0	0	0	0	112.6	I377 T378 S384 M385 M466	I377-A381 VanDerWaalsContact O-CB 3.24Å; I377-A381 WeakPolarHBondContact O-CB 3.48Å; I377-A381 PolarHBondContact O-N 3.2Å; T378-A381 PolarHBondContact O-N 2.96Å; A381-S384 PolarHBondContact O-N 2.98Å; A381-S384 PolarHBondContact O-OG 3.05Å; A381-M385 WeakPolarHBondContact O-CE 3.43Å; A381-M385 WeakPolarHBondContact O-CG 3.35Å; A381-M466 HydrophobicContact CB-CB 3.67Å; A381-M466 HydrophobicContact CB-CG 3.66Å; A381-M466 HydrophobicContact CB-SD 3.96Å
382	L	98.5	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-39.4	177.7	-69.4	170.5	0	0	0	111.7	T378 S384 M385 M388 C390 A399 P401 F451 T453 M466	T378-L382 HydrophobicContact CG2-CD1 3.6Å; T378-L382 HydrophobicContact CG2-CG 4.31Å; T378-L382 WeakPolarHBondContact O-CB 3.49Å; T378-L382 VanDerWaalsContact O-CG 3.24Å; T378-L382 WeakPolarHBondContact O-CG 3.3Å; T378-L382 PolarHBondContact O-N 3.39Å; L382-S384 VanDerWaalsContact C-N 3.31Å; L382-S384 PolarHBondContact O-N 3.24Å; L382-M385 HydrophobicContact CD2-CE 4.16Å; L382-M385 HydrophobicContact CD2-SD 4.44Å; L382-M385 PolarHBondContact O-N 2.95Å; L382-M388 HydrophobicContact CB-CG 4.46Å; L382-M388 WeakPolarHBondContact O-CB 3.4Å; L382-M388 VanDerWaalsContact O-CG 3.26Å; L382-M388 WeakPolarHBondContact O-CG 3.43Å; L382-C390 HydrophobicContact CB-CB 4.03Å; L382-C390 HydrophobicContact CD1-CB 4.35Å; L382-A399 HydrophobicContact CD1-CB 4.18Å; L382-P401 HydrophobicContact CD1-CB 4.05Å; L382-P401 HydrophobicContact CD1-CG 3.86Å; L382-P401 HydrophobicContact CD2-CG 4.32Å; L382-F451 HydrophobicContact CD2-CZ 4Å; L382-T453 HydrophobicContact CD1-CG2 4.46Å; L382-M466 HydrophobicContact CD2-SD 4.35Å; L382-M466 HydrophobicContact CG-SD 4.21Å
383	N	98.4	Very high	97.9	Very high	63 Å²	63	37.8 Å²	37.8	34%	0.337	22%	0.218	S	C	.	.	H	α-helix	trans	-77.6	-11	177.4	-75.1	-67.5	0	0	0	114.2	Y379 M385 C390	Y379-N383 WeakPolarHBondContact CD2-ND2 3.3Å; Y379-N383 WeakPolarHBondContact CE2-ND2 3.37Å; Y379-N383 WeakPolarHBondContact O-CB 3.26Å; Y379-N383 PolarHBondContact O-N 3.02Å; Y379-N383 VanDerWaalsContact O-N 3.16Å; Y379-N383 PolarHBondContact O-ND2 3.36Å; N383-M385 VanDerWaalsContact C-N 3.33Å; N383-C390 PolarHBondContact ND2-O 2.81Å; N383-C390 PolarHBondContact OD1-N 2.77Å; N383-C390 PolarHBondContact OD1-O 3.34Å
384	S	98.2	Very high	98	Very high	76 Å²	76	34.7 Å²	34.7	53%	0.531	20%	0.201	S	C	.	.	H	α-helix	trans	-81.8	-14.4	171.6	70.6	0	0	0	0	113	S380 A381 L382	S380-S384 PolarHBondContact O-N 2.65Å; S380-S384 VanDerWaalsContact O-N 3.1Å; A381-S384 PolarHBondContact O-N 2.98Å; A381-S384 PolarHBondContact O-OG 3.05Å; L382-S384 VanDerWaalsContact C-N 3.31Å; L382-S384 PolarHBondContact O-N 3.24Å
385	M	98.1	Very high	98	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.03	20%	0.197	C	C	.	.	S	Bend	trans	-79.4	134.2	178.9	-60.4	175	-158.4	0	0	110.4	A381 L382 N383 M388 I469 E470 H473	A381-M385 WeakPolarHBondContact O-CE 3.43Å; A381-M385 WeakPolarHBondContact O-CG 3.35Å; L382-M385 HydrophobicContact CD2-CE 4.16Å; L382-M385 HydrophobicContact CD2-SD 4.44Å; L382-M385 PolarHBondContact O-N 2.95Å; N383-M385 VanDerWaalsContact C-N 3.33Å; M385-M388 HydrophobicContact CB-CB 3.87Å; M385-M388 PolarHBondContact O-N 3.29Å; M385-M388 HydrophobicContact SD-CE 4.3Å; M385-I469 HydrophobicContact CE-CB 4.1Å; M385-I469 HydrophobicContact CE-CG2 3.77Å; M385-I469 HydrophobicContact SD-CG2 3.84Å; M385-E470 HydrophobicContact CE-CB 3.95Å; M385-E470 HydrophobicContact CG-CB 4.41Å; M385-E470 HydrophobicContact CG-CG 4.31Å; M385-E470 HydrophobicContact SD-CB 4.45Å; M385-H473 HydrophobicContact SD-CB 4.32Å
386	P	96.9	Very high	97.9	Very high	71 Å²	71	33.7 Å²	33.7	46%	0.461	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	142.8	178	27.8	-35	0	0	0	110.5	M388 H473	P386-M388 PolarHBondContact O-N 2.77Å; P386-H473 PolarHBondContact O-NE2 2.85Å
387	N	97.7	Very high	97.9	Very high	97 Å²	97	30.8 Å²	30.8	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	23.4	179.3	-58	-44.2	0	0	0	114.3	H404 M477	N387-H404 HydrophobicContact CB-CB 4.02Å; N387-H404 WeakPolarHBondContact O-CB 3.35Å; N387-H404 PolarHBondContact O-CD2 3.3Å; N387-H404 PolarHBondContact O-N 3.38Å; N387-M477 HydrophobicContact CB-CE 4.06Å
388	M	98.2	Very high	97.9	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141	169.3	-169.1	75.4	72.4	0	0	108.9	L382 M385 P386 P401 R402 I403 F451 H473	L382-M388 HydrophobicContact CB-CG 4.46Å; L382-M388 WeakPolarHBondContact O-CB 3.4Å; L382-M388 VanDerWaalsContact O-CG 3.26Å; L382-M388 WeakPolarHBondContact O-CG 3.43Å; M385-M388 HydrophobicContact CB-CB 3.87Å; M385-M388 PolarHBondContact O-N 3.29Å; M385-M388 HydrophobicContact SD-CE 4.3Å; P386-M388 PolarHBondContact O-N 2.77Å; M388-P401 HydrophobicContact CG-CB 4.33Å; M388-P401 HydrophobicContact SD-CB 3.83Å; M388-R402 WeakPolarHBondContact CA-O 3.35Å; M388-I403 HydrophobicContact CE-CG1 3.97Å; M388-I403 HydrophobicContact SD-CB 4.4Å; M388-I403 HydrophobicContact SD-CG1 3.76Å; M388-F451 HydrophobicContact CE-CE1 3.97Å; M388-F451 HydrophobicContact SD-CE1 4.11Å; M388-H473 WeakPolarHBondContact CE-ND1 3.32Å
389	S	98.1	Very high	97.9	Very high	37 Å²	37	29.2 Å²	29.2	26%	0.259	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.4	169.1	59.9	0	0	0	0	110	P401 R402	S389-P401 CarbonylContact O-C 3.54Å; S389-P401 VanDerWaalsContact O-CA 3.29Å; S389-P401 WeakPolarHBondContact O-CA 3.3Å; S389-R402 PolarHBondContact N-O 2.97Å; S389-R402 PolarHBondContact O-N 3.13Å
390	C	98.4	Very high	97.9	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.054	16%	0.158	C	C	.	.			trans	-146.7	129.5	177.6	-171	0	0	0	0	109.6	Y379 L382 N383 P401	Y379-C390 WeakPolarHBondContact CD2-O 3.29Å; Y379-C390 WeakPolarHBondContact CE2-O 3.37Å; L382-C390 HydrophobicContact CB-CB 4.03Å; L382-C390 HydrophobicContact CD1-CB 4.35Å; N383-C390 PolarHBondContact ND2-O 2.81Å; N383-C390 PolarHBondContact OD1-N 2.77Å; N383-C390 PolarHBondContact OD1-O 3.34Å; C390-P401 HydrophobicContact CB-CB 4.01Å
391	N	98.1	Very high	97.9	Very high	31 Å²	31	22 Å²	22	17%	0.166	13%	0.134	C	C	.	.			trans	-66.5	154.4	169.2	-78	-47.4	0	0	0	111.1	E194 N197 W198 Y379 V393	E194-N391 PolarHBondContact O-ND2 2.77Å; N197-N391 PolarHBondContact OD1-OD1 3.04Å; W198-N391 VanDerWaalsContact CD1-ND2 3.27Å; W198-N391 PolarHBondContact NE1-ND2 2.82Å; Y379-N391 WeakPolarHBondContact CD2-O 3.39Å; N391-V393 PolarHBondContact O-N 3.23Å
392	P	97.8	Very high	97.9	Very high	19 Å²	19	24 Å²	24	12%	0.123	14%	0.137	C	C	.	.			trans	-54.9	135.9	173.4	-23.5	33.1	0	0	0	111.2	N197 Y379 Q394	N197-P392 WeakPolarHBondContact OD1-CD 3.38Å; Y379-P392 VanDerWaalsContact CD2-CA 3.45Å; Y379-P392 HydrophobicContact CD2-CB 4.32Å; Y379-P392 HydrophobicContact CD2-CG 4.36Å; Y379-P392 HydrophobicContact CE2-CB 4.16Å; Y379-P392 HydrophobicContact CE2-CG 3.71Å; P392-Q394 HydrophobicContact CB-CG 4.4Å; P392-Q394 PolarHBondContact O-N 2.95Å; P392-Q394 VanDerWaalsContact O-N 3.16Å
393	V	97.8	Very high	97.9	Very high	4 Å²	4	24 Å²	24	2%	0.024	14%	0.137	C	C	.	.			trans	-79.6	98.8	169.7	-177	0	0	0	0	106.9	Y264 A375 N391 G395 Y398 A399 I455	Y264-V393 HydrophobicContact CD2-CG1 4.26Å; Y264-V393 WeakPolarHBondContact CD2-O 3.44Å; Y264-V393 HydrophobicContact CE2-CG1 3.9Å; A375-V393 HydrophobicContact CB-CB 3.94Å; A375-V393 HydrophobicContact CB-CG1 4.11Å; N391-V393 PolarHBondContact O-N 3.23Å; V393-G395 WeakPolarHBondContact CG1-O 3.34Å; V393-Y398 WeakPolarHBondContact CG1-O 3.36Å; V393-A399 HydrophobicContact CG2-CB 3.68Å; V393-I455 HydrophobicContact CG1-CD1 4.12Å
394	Q	97.9	Very high	97.9	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.028	14%	0.14	C	C	.	.			trans	-82.6	-27.6	-175.1	-52.9	176	-1.5	0	0	111.7	G231 V233 Y264 Y269 P392	G231-Q394 CarbonylContact O-C 3.54Å; G231-Q394 WeakPolarHBondContact O-CA 3.35Å; G231-Q394 WeakPolarHBondContact O-CB 3.27Å; G231-Q394 PolarHBondContact O-N 3.38Å; V233-Q394 HydrophobicContact CB-CB 4.34Å; V233-Q394 HydrophobicContact CG2-CB 3.88Å; V233-Q394 PolarHBondContact O-OE1 2.58Å; Y264-Q394 PolarHBondContact N-O 3.49Å; Y269-Q394 HydrophobicContact CD1-CG 4.4Å; Y269-Q394 HydrophobicContact CD2-CB 3.79Å; Y269-Q394 HydrophobicContact CD2-CG 3.56Å; Y269-Q394 HydrophobicContact CE1-CG 4.49Å; Y269-Q394 HydrophobicContact CE2-CB 4.33Å; Y269-Q394 HydrophobicContact CE2-CG 3.65Å; Y269-Q394 HydrophobicContact CG-CB 4.15Å; Y269-Q394 HydrophobicContact CG-CG 3.96Å; P392-Q394 HydrophobicContact CB-CG 4.4Å; P392-Q394 PolarHBondContact O-N 2.95Å; P392-Q394 VanDerWaalsContact O-N 3.16Å
395	G	97.5	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-165.1	-157.4	179.6	0	0	0	0	0	113.6	G231 N262 V393 M397	G231-G395 PolarHBondContact O-N 3.13Å; N262-G395 CarbonylContact O-C 3.58Å; N262-G395 WeakPolarHBondContact O-CA 3.48Å; V393-G395 WeakPolarHBondContact CG1-O 3.34Å; G395-M397 PolarHBondContact O-N 2.92Å
396	A	96.6	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-129.3	-176.3	0	0	0	0	0	113.3	P226 G227 Y259 N262 Y264	P226-A396 HydrophobicContact CB-CB 4.11Å; G227-A396 VanDerWaalsContact O-CB 3.3Å; G227-A396 WeakPolarHBondContact O-CB 3.41Å; Y259-A396 HydrophobicContact CD1-CB 3.86Å; Y259-A396 HydrophobicContact CD2-CB 3.83Å; Y259-A396 HydrophobicContact CE1-CB 4.26Å; Y259-A396 HydrophobicContact CE2-CB 4.27Å; Y259-A396 HydrophobicContact CG-CB 3.63Å; N262-A396 WeakPolarHBondContact CB-O 3.3Å; N262-A396 PolarHBondContact ND2-O 3.34Å; N262-A396 PolarHBondContact O-N 3.4Å; Y264-A396 PolarHBondContact OH-O 2.95Å
397	M	96.5	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.9	16.2	-175.2	-56.9	-176.3	-37	0	0	112.9	C55 Y259 K299 G395 T454 I455 L456	C55-M397 VanDerWaalsContact SG-SD 3.69Å; Y259-M397 HydrophobicContact CD1-CG 4.14Å; Y259-M397 HydrophobicContact CE1-CB 4.39Å; Y259-M397 HydrophobicContact CE1-CE 3.79Å; Y259-M397 HydrophobicContact CE1-CG 3.73Å; Y259-M397 HydrophobicContact CE1-SD 3.92Å; K299-M397 HydrophobicContact CD-CE 3.68Å; K299-M397 HydrophobicContact CD-SD 4.31Å; G395-M397 PolarHBondContact O-N 2.92Å; M397-T454 WeakPolarHBondContact O-CA 3.25Å; M397-T454 PolarHBondContact O-OG1 3.24Å; M397-I455 PolarHBondContact O-N 2.85Å; M397-I455 VanDerWaalsContact O-N 3.07Å; M397-L456 HydrophobicContact CB-CG 4.41Å; M397-L456 HydrophobicContact CE-CD1 4.03Å; M397-L456 HydrophobicContact CG-CD2 4.41Å; M397-L456 HydrophobicContact SD-CD1 4.37Å; M397-L456 HydrophobicContact SD-CD2 3.93Å; M397-L456 HydrophobicContact SD-CG 4.47Å
398	Y	97.7	Very high	97.9	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.027	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.9	-169.6	-50	-72	0	0	0	112.6	G53 N228 P229 Y259 V393 R452 T453	G53-Y398 WeakPolarHBondContact CA-OH 3.17Å; N228-Y398 HydrophobicContact CB-CD2 4.11Å; N228-Y398 HydrophobicContact CB-CE2 4.15Å; P229-Y398 WeakPolarHBondContact O-CB 3.14Å; Y259-Y398 VanDerWaalsContact OH-CE2 3.32Å; Y259-Y398 WeakPolarHBondContact OH-CE2 3.34Å; V393-Y398 WeakPolarHBondContact CG1-O 3.36Å; Y398-R452 HydrophobicContact CD1-CG 4.11Å; Y398-R452 HydrophobicContact CG-CG 4.15Å; Y398-T453 CarbonylContact C-O 3.52Å; Y398-T453 VanDerWaalsContact CA-O 3.31Å; Y398-T453 WeakPolarHBondContact CA-O 3.42Å
399	A	98.2	Very high	97.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.8	163.4	0	0	0	0	0	109.5	T378 L382 V393 P401 R452 T453	T378-A399 HydrophobicContact CG2-CB 3.87Å; L382-A399 HydrophobicContact CD1-CB 4.18Å; V393-A399 HydrophobicContact CG2-CB 3.68Å; A399-P401 VanDerWaalsContact C-CD 3.45Å; A399-R452 WeakPolarHBondContact O-CA 3.32Å; A399-T453 HydrophobicContact CB-CG2 3.99Å; A399-T453 PolarHBondContact N-O 3.49Å; A399-T453 PolarHBondContact O-N 3.06Å
400	F	98.4	Very high	97.9	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.013	12%	0.118	C	C	.	.			trans	-128.6	66.1	178	-160.3	-115.6	0	0	0	111.3	P171 W198 P229 T230 F442 H450 R452	P171-F400 HydrophobicContact CB-CD1 4.38Å; P171-F400 HydrophobicContact CB-CE1 3.7Å; P171-F400 HydrophobicContact CB-CZ 3.87Å; P171-F400 HydrophobicContact CG-CD1 3.95Å; P171-F400 HydrophobicContact CG-CE1 3.68Å; P171-F400 HydrophobicContact CG-CZ 4.33Å; W198-F400 HydrophobicContact CH2-CD1 4.05Å; W198-F400 HydrophobicContact CH2-CE1 4.32Å; W198-F400 AromaticContact CZ2-CD1 3.82Å; W198-F400 HydrophobicContact CZ2-CD1 3.82Å; P229-F400 HydrophobicContact CB-CB 4.36Å; P229-F400 HydrophobicContact CB-CD2 3.65Å; P229-F400 HydrophobicContact CB-CE2 4.13Å; P229-F400 HydrophobicContact CB-CG 4.14Å; P229-F400 HydrophobicContact CG-CB 4.37Å; P229-F400 HydrophobicContact CG-CD1 4.24Å; P229-F400 HydrophobicContact CG-CD2 3.52Å; P229-F400 HydrophobicContact CG-CE1 4.39Å; P229-F400 HydrophobicContact CG-CE2 3.69Å; P229-F400 HydrophobicContact CG-CG 3.8Å; P229-F400 HydrophobicContact CG-CZ 4.12Å; T230-F400 HydrophobicContact CG2-CB 4.08Å; T230-F400 HydrophobicContact CG2-CD1 3.98Å; T230-F400 HydrophobicContact CG2-CG 4.28Å; F400-F442 HydrophobicContact CE2-CB 4.38Å; F400-F442 AromaticContact CE2-CD2 3.68Å; F400-F442 HydrophobicContact CE2-CD2 3.68Å; F400-F442 HydrophobicContact CE2-CE2 4.24Å; F400-F442 HydrophobicContact CE2-CG 4.15Å; F400-F442 HydrophobicContact CZ-CB 4.25Å; F400-F442 HydrophobicContact CZ-CD2 4.26Å; F400-H450 HydrophobicContact CD1-CB 4.04Å; F400-H450 AromaticContact CD1-ND1 3.79Å; F400-H450 HydrophobicContact CD2-CB 4.41Å; F400-H450 HydrophobicContact CE1-CB 3.53Å; F400-H450 AromaticContact CE1-CG 3.58Å; F400-H450 AromaticContact CE1-ND1 3.77Å; F400-H450 HydrophobicContact CE2-CB 3.95Å; F400-H450 HydrophobicContact CG-CB 4.46Å; F400-H450 HydrophobicContact CZ-CB 3.5Å; F400-H450 VanDerWaalsContact CZ-CB 3.5Å; F400-R452 HydrophobicContact CD2-CB 3.9Å; F400-R452 HydrophobicContact CE2-CB 4.26Å
401	P	98.5	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-62.3	152	178.9	26.8	-38.8	0	0	0	112.9	L382 M388 S389 C390 A399 H450 F451	L382-P401 HydrophobicContact CD1-CB 4.05Å; L382-P401 HydrophobicContact CD1-CG 3.86Å; L382-P401 HydrophobicContact CD2-CG 4.32Å; M388-P401 HydrophobicContact CG-CB 4.33Å; M388-P401 HydrophobicContact SD-CB 3.83Å; S389-P401 CarbonylContact O-C 3.54Å; S389-P401 VanDerWaalsContact O-CA 3.29Å; S389-P401 WeakPolarHBondContact O-CA 3.3Å; C390-P401 HydrophobicContact CB-CB 4.01Å; A399-P401 VanDerWaalsContact C-CD 3.45Å; P401-H450 VanDerWaalsContact O-CA 3.23Å; P401-H450 WeakPolarHBondContact O-CA 3.19Å; P401-H450 VanDerWaalsContact O-CB 3.28Å; P401-H450 WeakPolarHBondContact O-CB 3.07Å; P401-H450 PolarHBondContact O-ND1 3.4Å; P401-F451 HydrophobicContact CB-CE1 4.24Å; P401-F451 HydrophobicContact CB-CZ 4.43Å; P401-F451 WeakPolarHBondContact CD-O 3.35Å; P401-F451 HydrophobicContact CG-CD1 3.84Å; P401-F451 HydrophobicContact CG-CD2 4.13Å; P401-F451 HydrophobicContact CG-CE1 3.43Å; P401-F451 VanDerWaalsContact CG-CE1 3.43Å; P401-F451 HydrophobicContact CG-CE2 3.73Å; P401-F451 HydrophobicContact CG-CG 4.2Å; P401-F451 HydrophobicContact CG-CZ 3.38Å; P401-F451 PolarHBondContact O-N 3.19Å
402	R	98.7	Very high	97.9	Very high	63 Å²	63	29.3 Å²	29.3	24%	0.238	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.9	169	-179.2	171	176.7	166.1	-2.5	110.6	E194 M388 S389 Y449 H450	E194-R402 WeakPolarHBondContact OE1-CB 3.44Å; E194-R402 WeakPolarHBondContact OE1-CD 3.28Å; E194-R402 WeakPolarHBondContact OE2-CD 3.47Å; E194-R402 IonicContact OE2-CZ 2.79Å; E194-R402 IonicContact OE2-NH1 2.71Å; E194-R402 PolarHBondContact OE2-NH1 2.98Å; M388-R402 WeakPolarHBondContact CA-O 3.35Å; S389-R402 PolarHBondContact N-O 2.97Å; S389-R402 PolarHBondContact O-N 3.13Å; R402-Y449 WeakPolarHBondContact CA-O 3.49Å; R402-H450 VanDerWaalsContact CB-CE1 3.5Å; R402-H450 WeakPolarHBondContact CB-CE1 3.22Å
403	I	98.5	Very high	97.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.7	173.9	-48	159.5	0	0	0	108.5	M388 L405 Y424 Y449 F451 M477	M388-I403 HydrophobicContact CE-CG1 3.97Å; M388-I403 HydrophobicContact SD-CB 4.4Å; M388-I403 HydrophobicContact SD-CG1 3.76Å; I403-L405 VanDerWaalsContact C-N 3.26Å; I403-L405 HydrophobicContact CB-CD2 4.31Å; I403-L405 HydrophobicContact CB-CG 4.19Å; I403-L405 HydrophobicContact CG2-CD2 3.51Å; I403-L405 HydrophobicContact CG2-CG 3.81Å; I403-L405 PolarHBondContact O-N 2.99Å; I403-Y424 HydrophobicContact CD1-CD1 3.37Å; I403-Y424 HydrophobicContact CD1-CD2 4.1Å; I403-Y424 HydrophobicContact CD1-CE1 3.53Å; I403-Y424 HydrophobicContact CD1-CE2 4.22Å; I403-Y424 HydrophobicContact CD1-CG 3.67Å; I403-Y424 HydrophobicContact CG1-CE1 4.44Å; I403-Y424 HydrophobicContact CG2-CD2 4.48Å; I403-Y424 HydrophobicContact CG2-CE2 4.27Å; I403-Y449 PolarHBondContact N-O 3.3Å; I403-F451 HydrophobicContact CD1-CD1 3.59Å; I403-F451 HydrophobicContact CD1-CE1 4.03Å; I403-F451 HydrophobicContact CG1-CD1 3.91Å; I403-F451 HydrophobicContact CG1-CE1 3.99Å; I403-M477 HydrophobicContact CG2-CE 3.65Å
404	H	98.1	Very high	97.8	Very high	87 Å²	87	35.5 Å²	35.5	40%	0.403	17%	0.169	S	C	.	.			trans	-82.5	77.5	169.6	-60.3	-86.6	0	0	0	109.1	N387	N387-H404 HydrophobicContact CB-CB 4.02Å; N387-H404 WeakPolarHBondContact O-CB 3.35Å; N387-H404 PolarHBondContact O-CD2 3.3Å; N387-H404 PolarHBondContact O-N 3.38Å
405	L	98	Very high	97.9	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.079	20%	0.199	C	C	.	.			trans	-63.5	137.3	-176.6	-70.3	174.5	0	0	0	111.9	I403 I410 P420 Y424 Y449 F476	I403-L405 VanDerWaalsContact C-N 3.26Å; I403-L405 HydrophobicContact CB-CD2 4.31Å; I403-L405 HydrophobicContact CB-CG 4.19Å; I403-L405 HydrophobicContact CG2-CD2 3.51Å; I403-L405 HydrophobicContact CG2-CG 3.81Å; I403-L405 PolarHBondContact O-N 2.99Å; L405-I410 HydrophobicContact CB-CD1 4.4Å; L405-I410 HydrophobicContact CB-CG1 4.09Å; L405-P420 HydrophobicContact CD1-CB 3.59Å; L405-P420 WeakPolarHBondContact CD1-O 3.31Å; L405-Y424 HydrophobicContact CD2-CD2 3.81Å; L405-Y424 HydrophobicContact CD2-CG 4.37Å; L405-Y449 HydrophobicContact CB-CD2 4.12Å; L405-Y449 HydrophobicContact CD1-CD1 4.3Å; L405-Y449 HydrophobicContact CD1-CD2 3.83Å; L405-Y449 HydrophobicContact CD1-CE2 4.49Å; L405-Y449 HydrophobicContact CD1-CG 3.72Å; L405-Y449 HydrophobicContact CG-CD2 4.18Å; L405-Y449 HydrophobicContact CG-CG 4.41Å; L405-F476 HydrophobicContact CD2-CE1 3.79Å; L405-F476 HydrophobicContact CD2-CZ 4.41Å
406	P	97.2	Very high	97.8	Very high	15 Å²	15	48.6 Å²	48.6	10%	0.097	22%	0.218	C	C	.	.			trans	-71.8	152.3	177.9	30.6	-35.3	0	0	0	110.7	K408 A409 I410 M477 Y480	P406-K408 VanDerWaalsContact C-N 3.25Å; P406-K408 PolarHBondContact O-N 3.13Å; P406-K408 VanDerWaalsContact O-N 3.11Å; P406-A409 HydrophobicContact CG-CB 3.89Å; P406-A409 WeakPolarHBondContact O-CB 3.28Å; P406-A409 PolarHBondContact O-N 3.11Å; P406-I410 PolarHBondContact O-N 2.88Å; P406-M477 HydrophobicContact CG-SD 4.2Å; P406-Y480 VanDerWaalsContact CB-O 3.3Å; P406-Y480 WeakPolarHBondContact CB-O 3.29Å; P406-Y480 WeakPolarHBondContact CG-O 3.27Å
407	P	97.3	Very high	97.8	Very high	87 Å²	87	52.1 Å²	52.1	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-54.2	-35.9	-175.9	-29.3	35.9	0	0	0	114.7	A409 I410 Q411	P407-A409 PolarHBondContact O-N 2.71Å; P407-I410 PolarHBondContact O-N 3.26Å; P407-Q411 VanDerWaalsContact O-CG 3.3Å; P407-Q411 WeakPolarHBondContact O-CG 3.43Å; P407-Q411 PolarHBondContact O-N 3.43Å
408	K	98.2	Very high	97.8	Very high	111 Å²	111	54.4 Å²	54.4	48%	0.483	27%	0.265	S	S	.	.	H	α-helix	trans	-69.2	-32.1	179.2	-56	176.8	-178.9	160.6	0	112.5	P406 Q411 E412 Y480 S481	P406-K408 VanDerWaalsContact C-N 3.25Å; P406-K408 PolarHBondContact O-N 3.13Å; P406-K408 VanDerWaalsContact O-N 3.11Å; K408-Q411 PolarHBondContact O-N 2.93Å; K408-E412 WeakPolarHBondContact O-CB 3.5Å; K408-E412 PolarHBondContact O-N 3.16Å; K408-Y480 HydrophobicContact CB-CD1 4.4Å; K408-Y480 VanDerWaalsContact CB-O 3.29Å; K408-Y480 WeakPolarHBondContact CB-O 3.45Å; K408-S481 WeakPolarHBondContact CE-O 3.4Å; K408-S481 PolarHBondContact NZ-O 2.79Å
409	A	98.3	Very high	97.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-41.2	174.5	0	0	0	0	0	110.6	P406 P407 E412 A413 F476 Y480	P406-A409 HydrophobicContact CG-CB 3.89Å; P406-A409 WeakPolarHBondContact O-CB 3.28Å; P406-A409 PolarHBondContact O-N 3.11Å; P407-A409 PolarHBondContact O-N 2.71Å; A409-E412 PolarHBondContact O-N 3.38Å; A409-A413 WeakPolarHBondContact O-CB 3.28Å; A409-A413 PolarHBondContact O-N 3.48Å; A409-F476 HydrophobicContact CB-CE1 3.68Å; A409-F476 HydrophobicContact CB-CZ 3.85Å; A409-Y480 HydrophobicContact CB-CD1 4.34Å; A409-Y480 HydrophobicContact CB-CD2 4.05Å; A409-Y480 HydrophobicContact CB-CG 3.79Å
410	I	98.1	Very high	97.7	Very high	31 Å²	31	56.6 Å²	56.6	16%	0.159	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-43.1	175.6	-61.5	168	0	0	0	110.5	L405 P406 P407 K414 P420 Y449	L405-I410 HydrophobicContact CB-CD1 4.4Å; L405-I410 HydrophobicContact CB-CG1 4.09Å; P406-I410 PolarHBondContact O-N 2.88Å; P407-I410 PolarHBondContact O-N 3.26Å; I410-K414 HydrophobicContact CG2-CD 4.37Å; I410-K414 WeakPolarHBondContact O-CG 3.24Å; I410-K414 PolarHBondContact O-N 2.94Å; I410-P420 HydrophobicContact CB-CG 4.42Å; I410-P420 HydrophobicContact CG1-CB 4.23Å; I410-P420 HydrophobicContact CG1-CG 4.39Å; I410-P420 HydrophobicContact CG2-CG 4.02Å; I410-Y449 HydrophobicContact CD1-CE2 3.61Å; I410-Y449 HydrophobicContact CG1-CE2 3.98Å
411	Q	98.1	Very high	97.7	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-64.1	-42.6	176.4	-71.9	171.3	18.4	0	0	112.1	P407 K408 K414 R415	P407-Q411 VanDerWaalsContact O-CG 3.3Å; P407-Q411 WeakPolarHBondContact O-CG 3.43Å; P407-Q411 PolarHBondContact O-N 3.43Å; K408-Q411 PolarHBondContact O-N 2.93Å; Q411-K414 PolarHBondContact O-N 3.34Å; Q411-R415 WeakPolarHBondContact O-CB 3.45Å; Q411-R415 PolarHBondContact O-N 3.45Å
412	E	98.5	Very high	97.6	Very high	35 Å²	35	58.3 Å²	58.3	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-42.1	177.7	177.4	60.2	-172.9	0	0	111.9	K408 A409 R415 R416 F423 Y480	K408-E412 WeakPolarHBondContact O-CB 3.5Å; K408-E412 PolarHBondContact O-N 3.16Å; A409-E412 PolarHBondContact O-N 3.38Å; E412-R415 WeakPolarHBondContact O-CB 3.46Å; E412-R415 PolarHBondContact O-N 3.16Å; E412-R415 IonicContact OE1-CZ 3.69Å; E412-R415 IonicContact OE1-NE 3.77Å; E412-R415 IonicContact OE1-NH2 2.77Å; E412-R415 PolarHBondContact OE1-NH2 2.84Å; E412-R415 IonicContact OE2-CZ 3.45Å; E412-R415 IonicContact OE2-NE 2.77Å; E412-R415 PolarHBondContact OE2-NE 3.46Å; E412-R415 IonicContact OE2-NH2 3.26Å; E412-R415 PolarHBondContact OE2-NH2 2.96Å; E412-R416 WeakPolarHBondContact O-CG 3.35Å; E412-R416 PolarHBondContact O-N 3.06Å; E412-R416 VanDerWaalsContact O-N 3.14Å; E412-R416 IonicContact OE1-CZ 2.74Å; E412-R416 VanDerWaalsContact OE1-CZ 3.28Å; E412-R416 IonicContact OE1-NE 3.26Å; E412-R416 PolarHBondContact OE1-NE 2.79Å; E412-R416 IonicContact OE1-NH2 2.58Å; E412-R416 PolarHBondContact OE1-NH2 3.15Å; E412-F423 HydrophobicContact CB-CE1 4.43Å; E412-F423 HydrophobicContact CB-CZ 4.44Å; E412-F423 HydrophobicContact CG-CE1 4.16Å; E412-F423 HydrophobicContact CG-CE2 4.25Å; E412-F423 HydrophobicContact CG-CZ 3.68Å; E412-Y480 HydrophobicContact CB-CE1 4.15Å; E412-Y480 HydrophobicContact CG-CE1 4.11Å
413	A	97.9	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-46.2	173.9	0	0	0	0	0	111.5	A409 R415 R416 G417 E418 P420 F423	A409-A413 WeakPolarHBondContact O-CB 3.28Å; A409-A413 PolarHBondContact O-N 3.48Å; A413-R415 VanDerWaalsContact C-N 3.32Å; A413-R415 PolarHBondContact O-N 3.07Å; A413-R416 CarbonylContact O-C 3.52Å; A413-R416 WeakPolarHBondContact O-CA 3.42Å; A413-R416 WeakPolarHBondContact O-CB 3.38Å; A413-R416 PolarHBondContact O-N 3.31Å; A413-G417 PolarHBondContact O-N 3.22Å; A413-G417 VanDerWaalsContact O-N 3.15Å; A413-E418 CarbonylContact C-O 3.41Å; A413-E418 PolarHBondContact O-N 3.4Å; A413-P420 HydrophobicContact CB-CB 4.14Å; A413-P420 HydrophobicContact CB-CG 4.12Å; A413-F423 HydrophobicContact CB-CB 3.71Å; A413-F423 HydrophobicContact CB-CD1 4.09Å; A413-F423 HydrophobicContact CB-CG 4.02Å
414	K	96.9	Very high	97.6	Very high	152 Å²	152	55.3 Å²	55.3	66%	0.661	28%	0.28	S	S	*	.	H	α-helix	trans	-59.3	-41	174.9	-74.1	177.5	179.8	-175.1	0	112.4	I410 Q411 R416 G417	I410-K414 HydrophobicContact CG2-CD 4.37Å; I410-K414 WeakPolarHBondContact O-CG 3.24Å; I410-K414 PolarHBondContact O-N 2.94Å; Q411-K414 PolarHBondContact O-N 3.34Å; K414-R416 PolarHBondContact O-N 2.89Å; K414-G417 PolarHBondContact O-N 2.98Å
415	R	97.9	Very high	97.6	Very high	175 Å²	175	51.1 Å²	51.1	66%	0.66	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-29.8	176.1	-167.5	-173.6	69.6	81.9	2.3	112.3	Q411 E412 A413	Q411-R415 WeakPolarHBondContact O-CB 3.45Å; Q411-R415 PolarHBondContact O-N 3.45Å; E412-R415 WeakPolarHBondContact O-CB 3.46Å; E412-R415 PolarHBondContact O-N 3.16Å; E412-R415 IonicContact OE1-CZ 3.69Å; E412-R415 IonicContact OE1-NE 3.77Å; E412-R415 IonicContact OE1-NH2 2.77Å; E412-R415 PolarHBondContact OE1-NH2 2.84Å; E412-R415 IonicContact OE2-CZ 3.45Å; E412-R415 IonicContact OE2-NE 2.77Å; E412-R415 PolarHBondContact OE2-NE 3.46Å; E412-R415 IonicContact OE2-NH2 3.26Å; E412-R415 PolarHBondContact OE2-NH2 2.96Å; A413-R415 VanDerWaalsContact C-N 3.32Å; A413-R415 PolarHBondContact O-N 3.07Å
416	R	97	Very high	97.6	Very high	106 Å²	106	51.7 Å²	51.7	40%	0.4	26%	0.263	S	S	.	.	H	α-helix	trans	-86.4	-7.7	176.7	-66.4	172.2	179.4	-116.5	-3.6	113.9	E412 A413 K414 E418	E412-R416 WeakPolarHBondContact O-CG 3.35Å; E412-R416 PolarHBondContact O-N 3.06Å; E412-R416 VanDerWaalsContact O-N 3.14Å; E412-R416 IonicContact OE1-CZ 2.74Å; E412-R416 VanDerWaalsContact OE1-CZ 3.28Å; E412-R416 IonicContact OE1-NE 3.26Å; E412-R416 PolarHBondContact OE1-NE 2.79Å; E412-R416 IonicContact OE1-NH2 2.58Å; E412-R416 PolarHBondContact OE1-NH2 3.15Å; A413-R416 CarbonylContact O-C 3.52Å; A413-R416 WeakPolarHBondContact O-CA 3.42Å; A413-R416 WeakPolarHBondContact O-CB 3.38Å; A413-R416 PolarHBondContact O-N 3.31Å; K414-R416 PolarHBondContact O-N 2.89Å; R416-E418 VanDerWaalsContact C-N 3.27Å; R416-E418 HydrophobicContact CB-CB 4.31Å; R416-E418 HydrophobicContact CB-CG 3.92Å
417	G	96.3	Very high	97.7	Very high	75 Å²	75	52.3 Å²	52.3	77%	0.773	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	24.1	-171.2	0	0	0	0	0	113.2	A413 K414	A413-G417 PolarHBondContact O-N 3.22Å; A413-G417 VanDerWaalsContact O-N 3.15Å; K414-G417 PolarHBondContact O-N 2.98Å
418	E	95.5	Very high	97.7	Very high	48 Å²	48	48.2 Å²	48.2	22%	0.224	24%	0.238	C	C	.	.			trans	-108.3	150.4	-177.3	-67.9	172.3	-174.1	0	0	111.1	A413 R416 F422 F423	A413-E418 CarbonylContact C-O 3.41Å; A413-E418 PolarHBondContact O-N 3.4Å; R416-E418 VanDerWaalsContact C-N 3.27Å; R416-E418 HydrophobicContact CB-CB 4.31Å; R416-E418 HydrophobicContact CB-CG 3.92Å; E418-F422 HydrophobicContact CB-CD1 4Å; E418-F422 HydrophobicContact CG-CD1 3.91Å; E418-F422 HydrophobicContact CG-CE1 4.03Å; E418-F423 HydrophobicContact CB-CB 4.46Å; E418-F423 WeakPolarHBondContact OE2-CD2 3.32Å
419	A	96.3	Very high	97.7	Very high	38 Å²	38	42.9 Å²	42.9	31%	0.314	22%	0.215	S	C	.	.			trans	-65.8	140.2	165.9	0	0	0	0	0	109.9	D421 F422 F423	A419-D421 VanDerWaalsContact C-N 3.3Å; A419-D421 VanDerWaalsContact CB-OD1 3.32Å; A419-D421 WeakPolarHBondContact CB-OD1 3.48Å; A419-D421 PolarHBondContact O-N 3.21Å; A419-F422 HydrophobicContact CB-CB 4.02Å; A419-F422 WeakPolarHBondContact O-CB 3.36Å; A419-F422 PolarHBondContact O-N 2.87Å; A419-F422 VanDerWaalsContact O-N 3.09Å; A419-F423 PolarHBondContact O-N 3.33Å
420	P	98.1	Very high	97.7	Very high	15 Å²	15	45.6 Å²	45.6	10%	0.097	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-34.2	-175.3	-28.5	36.9	0	0	0	115.5	L405 I410 A413 Y424 Y449	L405-P420 HydrophobicContact CD1-CB 3.59Å; L405-P420 WeakPolarHBondContact CD1-O 3.31Å; I410-P420 HydrophobicContact CB-CG 4.42Å; I410-P420 HydrophobicContact CG1-CB 4.23Å; I410-P420 HydrophobicContact CG1-CG 4.39Å; I410-P420 HydrophobicContact CG2-CG 4.02Å; A413-P420 HydrophobicContact CB-CB 4.14Å; A413-P420 HydrophobicContact CB-CG 4.12Å; P420-Y424 PolarHBondContact O-N 2.91Å; P420-Y424 VanDerWaalsContact O-N 3.12Å; P420-Y449 HydrophobicContact CB-CD1 3.76Å; P420-Y449 HydrophobicContact CB-CE1 3.54Å; P420-Y449 HydrophobicContact CB-CG 4.38Å; P420-Y449 HydrophobicContact CG-CD1 4.14Å; P420-Y449 HydrophobicContact CG-CE1 3.43Å; P420-Y449 VanDerWaalsContact CG-CE1 3.43Å
421	D	98	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-74.7	-36.9	173.9	52.9	-1.2	0	0	0	113.1	A419 F423 Y424 C425 P438 G439 S440 Q444 H450	A419-D421 VanDerWaalsContact C-N 3.3Å; A419-D421 VanDerWaalsContact CB-OD1 3.32Å; A419-D421 WeakPolarHBondContact CB-OD1 3.48Å; A419-D421 PolarHBondContact O-N 3.21Å; D421-F423 VanDerWaalsContact C-N 3.31Å; D421-F423 PolarHBondContact O-N 3.14Å; D421-Y424 PolarHBondContact O-N 3Å; D421-C425 WeakPolarHBondContact O-CB 3.28Å; D421-C425 PolarHBondContact O-N 3.42Å; D421-C425 PolarHBondContact O-SG 2.9Å; D421-P438 HydrophobicContact CB-CB 4.23Å; D421-G439 WeakPolarHBondContact OD2-CA 3.07Å; D421-G439 PolarHBondContact OD2-N 3.35Å; D421-S440 WeakPolarHBondContact OD1-CB 3.46Å; D421-S440 PolarHBondContact OD1-OG 3.14Å; D421-S440 WeakPolarHBondContact OD2-CB 3.48Å; D421-S440 PolarHBondContact OD2-N 3.26Å; D421-S440 PolarHBondContact OD2-OG 2.66Å; D421-Q444 PolarHBondContact OD2-NE2 3.25Å; D421-Q444 PolarHBondContact OD2-OE1 2.99Å; D421-H450 WeakPolarHBondContact CB-O 3.47Å
422	F	97.2	Very high	97.7	Very high	40 Å²	40	42.7 Å²	42.7	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-47.7	170.2	176.3	-84.5	0	0	0	110.4	P24 I25 E418 A419 Y424 C425 L426 P438	P24-F422 HydrophobicContact CB-CE2 4.14Å; P24-F422 HydrophobicContact CB-CZ 4.19Å; P24-F422 HydrophobicContact CG-CE2 4.43Å; I25-F422 HydrophobicContact CD1-CD2 3.69Å; I25-F422 HydrophobicContact CD1-CE2 3.8Å; I25-F422 HydrophobicContact CD1-CG 4.36Å; I25-F422 HydrophobicContact CG1-CD2 4.14Å; I25-F422 HydrophobicContact CG1-CE2 3.69Å; I25-F422 HydrophobicContact CG1-CZ 4.17Å; E418-F422 HydrophobicContact CB-CD1 4Å; E418-F422 HydrophobicContact CG-CD1 3.91Å; E418-F422 HydrophobicContact CG-CE1 4.03Å; A419-F422 HydrophobicContact CB-CB 4.02Å; A419-F422 WeakPolarHBondContact O-CB 3.36Å; A419-F422 PolarHBondContact O-N 2.87Å; A419-F422 VanDerWaalsContact O-N 3.09Å; F422-Y424 PolarHBondContact O-N 2.97Å; F422-C425 PolarHBondContact O-N 3.34Å; F422-L426 HydrophobicContact CE1-CB 4.36Å; F422-L426 HydrophobicContact CE1-CD2 3.86Å; F422-L426 HydrophobicContact CZ-CD2 4.38Å; F422-L426 WeakPolarHBondContact O-CB 3.3Å; F422-L426 PolarHBondContact O-N 3.34Å; F422-P438 HydrophobicContact CB-CB 4.29Å; F422-P438 HydrophobicContact CB-CG 4.28Å; F422-P438 HydrophobicContact CD2-CG 4.16Å
423	F	98.2	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.2	-49.8	176.5	172	-117.6	0	0	0	111.6	E412 A413 E418 A419 D421 C425 L426 Q427 F476 Y480	E412-F423 HydrophobicContact CB-CE1 4.43Å; E412-F423 HydrophobicContact CB-CZ 4.44Å; E412-F423 HydrophobicContact CG-CE1 4.16Å; E412-F423 HydrophobicContact CG-CE2 4.25Å; E412-F423 HydrophobicContact CG-CZ 3.68Å; A413-F423 HydrophobicContact CB-CB 3.71Å; A413-F423 HydrophobicContact CB-CD1 4.09Å; A413-F423 HydrophobicContact CB-CG 4.02Å; E418-F423 HydrophobicContact CB-CB 4.46Å; E418-F423 WeakPolarHBondContact OE2-CD2 3.32Å; A419-F423 PolarHBondContact O-N 3.33Å; D421-F423 VanDerWaalsContact C-N 3.31Å; D421-F423 PolarHBondContact O-N 3.14Å; F423-C425 PolarHBondContact O-N 3.46Å; F423-L426 PolarHBondContact O-N 2.84Å; F423-Q427 HydrophobicContact CD2-CG 4.08Å; F423-Q427 HydrophobicContact CE2-CG 3.72Å; F423-Q427 HydrophobicContact CZ-CG 4.06Å; F423-Q427 VanDerWaalsContact O-CG 3.3Å; F423-Q427 WeakPolarHBondContact O-CG 3.48Å; F423-Q427 PolarHBondContact O-N 2.76Å; F423-F476 HydrophobicContact CD1-CE2 4.18Å; F423-F476 AromaticContact CD1-CZ 3.89Å; F423-F476 HydrophobicContact CD1-CZ 3.89Å; F423-F476 AromaticContact CE1-CE2 3.74Å; F423-F476 HydrophobicContact CE1-CE2 3.74Å; F423-F476 AromaticContact CE1-CZ 3.62Å; F423-F476 HydrophobicContact CE1-CZ 3.62Å; F423-F476 HydrophobicContact CZ-CE2 4.35Å; F423-Y480 HydrophobicContact CE1-CE1 4.47Å; F423-Y480 HydrophobicContact CE1-CE2 4.02Å; F423-Y480 AromaticContact CE1-CZ 3.89Å; F423-Y480 HydrophobicContact CZ-CE1 4.44Å; F423-Y480 HydrophobicContact CZ-CE2 4.2Å; F423-Y480 AromaticContact CZ-CZ 3.74Å; F423-Y480 VanDerWaalsContact CZ-OH 3.3Å; F423-Y480 WeakPolarHBondContact CZ-OH 3.3Å
424	Y	98.6	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-48.8	175.9	179.9	-85.1	0	0	0	112.1	I403 L405 P420 D421 F422 L426 Q427 L428 F451 F472 H473 F476	I403-Y424 HydrophobicContact CD1-CD1 3.37Å; I403-Y424 HydrophobicContact CD1-CD2 4.1Å; I403-Y424 HydrophobicContact CD1-CE1 3.53Å; I403-Y424 HydrophobicContact CD1-CE2 4.22Å; I403-Y424 HydrophobicContact CD1-CG 3.67Å; I403-Y424 HydrophobicContact CG1-CE1 4.44Å; I403-Y424 HydrophobicContact CG2-CD2 4.48Å; I403-Y424 HydrophobicContact CG2-CE2 4.27Å; L405-Y424 HydrophobicContact CD2-CD2 3.81Å; L405-Y424 HydrophobicContact CD2-CG 4.37Å; P420-Y424 PolarHBondContact O-N 2.91Å; P420-Y424 VanDerWaalsContact O-N 3.12Å; D421-Y424 PolarHBondContact O-N 3Å; F422-Y424 PolarHBondContact O-N 2.97Å; Y424-L426 PolarHBondContact O-N 3.36Å; Y424-Q427 PolarHBondContact O-N 3.06Å; Y424-L428 PolarHBondContact O-N 2.95Å; Y424-F451 HydrophobicContact CE1-CD1 4.39Å; Y424-F451 HydrophobicContact CE1-CE1 4.29Å; Y424-F472 HydrophobicContact CD1-CE1 4.21Å; Y424-F472 AromaticContact CD2-CE1 3.96Å; Y424-F472 HydrophobicContact CD2-CE1 3.96Å; Y424-F472 HydrophobicContact CD2-CZ 4.43Å; Y424-F472 HydrophobicContact CE1-CD1 4.46Å; Y424-F472 AromaticContact CE1-CE1 3.83Å; Y424-F472 HydrophobicContact CE1-CE1 3.83Å; Y424-F472 HydrophobicContact CE2-CD1 4.31Å; Y424-F472 AromaticContact CE2-CE1 3.56Å; Y424-F472 HydrophobicContact CE2-CE1 3.56Å; Y424-F472 HydrophobicContact CE2-CZ 4.4Å; Y424-F472 HydrophobicContact CG-CE1 4.27Å; Y424-F472 AromaticContact CZ-CD1 3.98Å; Y424-F472 AromaticContact CZ-CE1 3.49Å; Y424-F472 VanDerWaalsContact CZ-CE1 3.49Å; Y424-H473 AromaticContact CE2-ND1 3.83Å; Y424-H473 AromaticContact CZ-ND1 3.76Å; Y424-H473 PolarHBondContact OH-ND1 3.48Å; Y424-F476 AromaticContact CD2-CD1 3.84Å; Y424-F476 HydrophobicContact CD2-CD1 3.84Å; Y424-F476 HydrophobicContact CD2-CD2 4.3Å; Y424-F476 AromaticContact CD2-CE1 3.78Å; Y424-F476 HydrophobicContact CD2-CE1 3.78Å; Y424-F476 HydrophobicContact CD2-CE2 4.22Å; Y424-F476 HydrophobicContact CD2-CG 4.12Å; Y424-F476 AromaticContact CD2-CZ 3.96Å; Y424-F476 HydrophobicContact CD2-CZ 3.96Å; Y424-F476 HydrophobicContact CE2-CD1 4.05Å; Y424-F476 HydrophobicContact CE2-CE1 4.43Å; Y424-F476 HydrophobicContact CE2-CG 4.23Å
425	C	98.4	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-38	-178	-65.9	0	0	0	0	112.5	I25 D421 F422 F423 L428 L429 V436 P438 F451	I25-C425 HydrophobicContact CD1-CB 3.64Å; D421-C425 WeakPolarHBondContact O-CB 3.28Å; D421-C425 PolarHBondContact O-N 3.42Å; D421-C425 PolarHBondContact O-SG 2.9Å; F422-C425 PolarHBondContact O-N 3.34Å; F423-C425 PolarHBondContact O-N 3.46Å; C425-L428 PolarHBondContact O-N 3.44Å; C425-L429 PolarHBondContact O-N 3.33Å; C425-V436 HydrophobicContact CB-CG2 3.89Å; C425-P438 HydrophobicContact CB-CB 4.44Å; C425-F451 VanDerWaalsContact SG-CB 3.57Å
426	L	98	Very high	97.7	Very high	27 Å²	27	25.5 Å²	25.5	14%	0.141	14%	0.142	C	C	.	.	H	α-helix	trans	-66.5	-43.5	176.4	-179.6	60.8	0	0	0	111.1	I25 R28 F422 F423 Y424 L428 L429 E430	I25-L426 HydrophobicContact CG1-CB 4.5Å; R28-L426 HydrophobicContact CG-CD1 4.21Å; F422-L426 HydrophobicContact CE1-CB 4.36Å; F422-L426 HydrophobicContact CE1-CD2 3.86Å; F422-L426 HydrophobicContact CZ-CD2 4.38Å; F422-L426 WeakPolarHBondContact O-CB 3.3Å; F422-L426 PolarHBondContact O-N 3.34Å; F423-L426 PolarHBondContact O-N 2.84Å; Y424-L426 PolarHBondContact O-N 3.36Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L426-L428 PolarHBondContact O-N 2.89Å; L426-L429 PolarHBondContact O-N 3.49Å; L426-E430 HydrophobicContact CD1-CG 4.41Å; L426-E430 WeakPolarHBondContact O-CG 3.38Å; L426-E430 PolarHBondContact O-N 3.45Å
427	Q	98.2	Very high	97.7	Very high	28 Å²	28	20.5 Å²	20.5	13%	0.131	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-39.8	175.5	-65.7	-62.3	-83.9	0	0	111.7	F423 Y424 L429 E430 E431 F472 F476	F423-Q427 HydrophobicContact CD2-CG 4.08Å; F423-Q427 HydrophobicContact CE2-CG 3.72Å; F423-Q427 HydrophobicContact CZ-CG 4.06Å; F423-Q427 VanDerWaalsContact O-CG 3.3Å; F423-Q427 WeakPolarHBondContact O-CG 3.48Å; F423-Q427 PolarHBondContact O-N 2.76Å; Y424-Q427 PolarHBondContact O-N 3.06Å; Q427-L429 VanDerWaalsContact C-N 3.32Å; Q427-L429 PolarHBondContact O-N 3.02Å; Q427-E430 PolarHBondContact O-N 3.19Å; Q427-E431 WeakPolarHBondContact O-CB 3.37Å; Q427-E431 WeakPolarHBondContact O-CG 3.2Å; Q427-E431 PolarHBondContact O-N 2.88Å; Q427-F472 HydrophobicContact CB-CE2 3.76Å; Q427-F472 HydrophobicContact CB-CZ 3.7Å; Q427-F476 HydrophobicContact CB-CD2 4.49Å; Q427-F476 HydrophobicContact CB-CE2 4.37Å; Q427-F476 HydrophobicContact CG-CE2 4.29Å
428	L	98.6	Very high	97.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.5	-42.8	174.4	175.8	60.7	0	0	0	111.7	Y424 C425 L426 K432 I434 V436 I469 F472	Y424-L428 PolarHBondContact O-N 2.95Å; C425-L428 PolarHBondContact O-N 3.44Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L426-L428 PolarHBondContact O-N 2.89Å; L428-K432 HydrophobicContact CD1-CB 4.03Å; L428-K432 HydrophobicContact CD1-CG 4.11Å; L428-K432 WeakPolarHBondContact O-CB 3.36Å; L428-K432 PolarHBondContact O-N 2.92Å; L428-I434 HydrophobicContact CD1-CB 4.19Å; L428-I434 HydrophobicContact CD1-CD1 4.29Å; L428-I434 HydrophobicContact CD2-CB 4.31Å; L428-I434 HydrophobicContact CD2-CG2 4.03Å; L428-I434 HydrophobicContact CG-CB 4.02Å; L428-I434 HydrophobicContact CG-CG2 4.3Å; L428-V436 HydrophobicContact CD2-CG1 4.44Å; L428-V436 HydrophobicContact CD2-CG2 3.92Å; L428-I469 HydrophobicContact CD1-CG1 4.3Å; L428-I469 HydrophobicContact CD2-CG1 4.21Å; L428-F472 HydrophobicContact CB-CD1 3.92Å; L428-F472 HydrophobicContact CB-CE1 3.64Å; L428-F472 HydrophobicContact CB-CE2 4.42Å; L428-F472 HydrophobicContact CB-CG 4.4Å; L428-F472 HydrophobicContact CB-CZ 3.92Å; L428-F472 HydrophobicContact CD1-CB 3.89Å; L428-F472 HydrophobicContact CD1-CD1 3.57Å; L428-F472 HydrophobicContact CD1-CD2 4.46Å; L428-F472 HydrophobicContact CD1-CE1 4.22Å; L428-F472 HydrophobicContact CD1-CG 3.7Å; L428-F472 HydrophobicContact CG-CD1 4.25Å; L428-F472 HydrophobicContact CG-CE1 4.43Å; L428-F472 VanDerWaalsContact N-CZ 3.33Å
429	L	98.3	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-46.8	175.9	175.1	62.9	0	0	0	111.8	I25 R28 A29 I32 V47 C425 L426 Q427 G433 I434 C435	I25-L429 HydrophobicContact CG2-CD2 3.9Å; I25-L429 VanDerWaalsContact O-CD2 3.3Å; I25-L429 WeakPolarHBondContact O-CD2 3.31Å; R28-L429 HydrophobicContact CB-CD2 4.08Å; R28-L429 HydrophobicContact CG-CD2 4.01Å; A29-L429 HydrophobicContact CB-CD1 4.03Å; A29-L429 HydrophobicContact CB-CD2 3.98Å; I32-L429 HydrophobicContact CD1-CD1 4.23Å; I32-L429 HydrophobicContact CD1-CD2 4.26Å; I32-L429 HydrophobicContact CD1-CG 3.88Å; V47-L429 HydrophobicContact CG1-CD1 4.03Å; C425-L429 PolarHBondContact O-N 3.33Å; L426-L429 PolarHBondContact O-N 3.49Å; Q427-L429 VanDerWaalsContact C-N 3.32Å; Q427-L429 PolarHBondContact O-N 3.02Å; L429-G433 VanDerWaalsContact O-CA 3.23Å; L429-G433 WeakPolarHBondContact O-CA 3.43Å; L429-G433 PolarHBondContact O-N 2.98Å; L429-I434 WeakPolarHBondContact CA-O 3.36Å; L429-C435 HydrophobicContact CD1-CB 4.16Å
430	E	97.8	Very high	97.7	Very high	57 Å²	57	15.8 Å²	15.8	27%	0.266	8%	0.081	S	C	.	.	H	α-helix	trans	-68.4	-33.5	-177.9	-69.1	-71.8	-179.5	0	0	113.4	R28 F44 L426 Q427	R28-E430 IonicContact CZ-OE1 2.73Å; R28-E430 VanDerWaalsContact CZ-OE1 3.32Å; R28-E430 IonicContact CZ-OE2 2.77Å; R28-E430 IonicContact NE-OE1 3.26Å; R28-E430 PolarHBondContact NE-OE1 3.42Å; R28-E430 IonicContact NE-OE2 3.86Å; R28-E430 IonicContact NH2-OE1 3.81Å; R28-E430 PolarHBondContact NH2-OE1 3.31Å; R28-E430 VanDerWaalsContact NH2-OE1 3.11Å; R28-E430 IonicContact NH2-OE2 3.11Å; R28-E430 PolarHBondContact NH2-OE2 3.41Å; F44-E430 WeakPolarHBondContact CE1-O 3.43Å; L426-E430 HydrophobicContact CD1-CG 4.41Å; L426-E430 WeakPolarHBondContact O-CG 3.38Å; L426-E430 PolarHBondContact O-N 3.45Å; Q427-E430 PolarHBondContact O-N 3.19Å
431	E	97.9	Very high	97.5	Very high	65 Å²	65	15.9 Å²	15.9	30%	0.304	9%	0.085	S	C	.	.	H	α-helix	trans	-91.7	-32.3	-175.8	-69	-173.4	-153.8	0	0	113.4	S43 Q427 F472	S43-E431 PolarHBondContact OG-O 3.45Å; Q427-E431 WeakPolarHBondContact O-CB 3.37Å; Q427-E431 WeakPolarHBondContact O-CG 3.2Å; Q427-E431 PolarHBondContact O-N 2.88Å; E431-F472 HydrophobicContact CB-CD2 4.16Å
432	K	98.1	Very high	97.4	Very high	35 Å²	35	15.9 Å²	15.9	15%	0.152	9%	0.085	C	C	.	.	H	α-helix	trans	-125.7	-5.4	-171.5	-60	-63.1	-171	168.8	0	114.6	L428 I434 Q468 E471 F472	L428-K432 HydrophobicContact CD1-CB 4.03Å; L428-K432 HydrophobicContact CD1-CG 4.11Å; L428-K432 WeakPolarHBondContact O-CB 3.36Å; L428-K432 PolarHBondContact O-N 2.92Å; K432-I434 HydrophobicContact CB-CD1 4.08Å; K432-I434 HydrophobicContact CB-CG1 4.35Å; K432-I434 PolarHBondContact O-N 3.5Å; K432-Q468 HydrophobicContact CB-CB 4.4Å; K432-Q468 HydrophobicContact CD-CB 4.3Å; K432-Q468 HydrophobicContact CG-CB 4.47Å; K432-E471 IonicContact NZ-OE2 3.53Å; K432-E471 PolarHBondContact NZ-OE2 2.77Å; K432-F472 HydrophobicContact CG-CB 3.77Å; K432-F472 HydrophobicContact CG-CG 4.48Å
433	G	97.8	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.			trans	69.5	19.5	-178.7	0	0	0	0	0	113	F44 V47 V48 L429	F44-G433 VanDerWaalsContact CE2-CA 3.42Å; F44-G433 VanDerWaalsContact CZ-CA 3.46Å; V47-G433 CarbonylContact C-O 3.58Å; V47-G433 WeakPolarHBondContact CA-O 3.36Å; V48-G433 PolarHBondContact N-O 3.41Å; L429-G433 VanDerWaalsContact O-CA 3.23Å; L429-G433 WeakPolarHBondContact O-CA 3.43Å; L429-G433 PolarHBondContact O-N 2.98Å
434	I	98.2	Very high	97.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115	-178.9	-68.3	164	0	0	0	109.4	C50 L428 L429 K432 V436 V465 Q468 I469	C50-I434 HydrophobicContact CB-CG2 4.42Å; L428-I434 HydrophobicContact CD1-CB 4.19Å; L428-I434 HydrophobicContact CD1-CD1 4.29Å; L428-I434 HydrophobicContact CD2-CB 4.31Å; L428-I434 HydrophobicContact CD2-CG2 4.03Å; L428-I434 HydrophobicContact CG-CB 4.02Å; L428-I434 HydrophobicContact CG-CG2 4.3Å; L429-I434 WeakPolarHBondContact CA-O 3.36Å; K432-I434 HydrophobicContact CB-CD1 4.08Å; K432-I434 HydrophobicContact CB-CG1 4.35Å; K432-I434 PolarHBondContact O-N 3.5Å; I434-V436 HydrophobicContact CG2-CG1 4.04Å; I434-V465 HydrophobicContact CD1-CG1 4.04Å; I434-V465 HydrophobicContact CG1-CG1 4.42Å; I434-V465 HydrophobicContact CG2-CG1 4.22Å; I434-Q468 HydrophobicContact CD1-CB 3.48Å; I434-Q468 VanDerWaalsContact CD1-CB 3.48Å; I434-I469 HydrophobicContact CD1-CG1 3.94Å; I434-I469 HydrophobicContact CG2-CG1 4.47Å
435	C	97.3	Very high	97	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	105	179.2	-172	0	0	0	0	110.4	A29 V47 V48 C50 N51 L429	A29-C435 HydrophobicContact CB-CB 4.12Å; V47-C435 HydrophobicContact CG1-CB 4.15Å; V48-C435 PolarHBondContact O-N 3.23Å; C50-C435 CarbonylContact C-O 3.43Å; C50-C435 VanDerWaalsContact CA-O 3.23Å; C50-C435 WeakPolarHBondContact CA-O 3.48Å; C50-C435 VanDerWaalsContact CB-O 3.29Å; C50-C435 WeakPolarHBondContact CB-O 3.03Å; C50-C435 PolarHBondContact N-O 2.98Å; N51-C435 WeakPolarHBondContact CB-O 3.3Å; N51-C435 VanDerWaalsContact CG-SG 3.5Å; N51-C435 PolarHBondContact N-O 2.9Å; L429-C435 HydrophobicContact CD1-CB 4.16Å
436	V	97.4	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.			trans	-110.6	174.3	169.8	-67.6	0	0	0	0	110.5	C50 C425 L428 I434 F451 R452	C50-V436 HydrophobicContact CB-CG1 4.02Å; C425-V436 HydrophobicContact CB-CG2 3.89Å; L428-V436 HydrophobicContact CD2-CG1 4.44Å; L428-V436 HydrophobicContact CD2-CG2 3.92Å; I434-V436 HydrophobicContact CG2-CG1 4.04Å; V436-F451 HydrophobicContact CB-CB 4.49Å; V436-F451 HydrophobicContact CB-CD2 3.8Å; V436-F451 HydrophobicContact CB-CG 4.5Å; V436-F451 HydrophobicContact CG1-CD2 3.79Å; V436-F451 HydrophobicContact CG1-CE2 4.05Å; V436-F451 HydrophobicContact CG2-CB 4.24Å; V436-F451 HydrophobicContact CG2-CD2 3.96Å; V436-F451 HydrophobicContact CG2-CG 4.29Å; V436-R452 WeakPolarHBondContact CB-O 3.26Å
437	V	96.7	Very high	96.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.1	176.3	-171	0	0	0	0	109.6	N51 F442 F451 R452	N51-V437 HydrophobicContact CB-CG2 3.52Å; V437-F442 HydrophobicContact CB-CE2 3.64Å; V437-F442 HydrophobicContact CB-CZ 3.78Å; V437-F442 HydrophobicContact CG1-CD2 4.42Å; V437-F442 HydrophobicContact CG1-CE2 3.38Å; V437-F442 HydrophobicContact CG1-CZ 3.59Å; V437-F442 HydrophobicContact CG2-CZ 4.4Å; V437-F451 CarbonylContact O-C 3.54Å; V437-F451 WeakPolarHBondContact O-CA 3.31Å; V437-F451 WeakPolarHBondContact O-CB 3.28Å; V437-R452 HydrophobicContact CB-CB 4.5Å; V437-R452 PolarHBondContact N-O 3.06Å; V437-R452 VanDerWaalsContact N-O 3.15Å; V437-R452 PolarHBondContact O-N 3.26Å
438	P	97.2	Very high	96.7	Very high	12 Å²	12	30.5 Å²	30.5	8%	0.078	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	148.4	179.4	27.7	-35	0	0	0	111.8	I25 D421 F422 C425 S440 G441 F442	I25-P438 HydrophobicContact CD1-CG 3.9Å; D421-P438 HydrophobicContact CB-CB 4.23Å; F422-P438 HydrophobicContact CB-CB 4.29Å; F422-P438 HydrophobicContact CB-CG 4.28Å; F422-P438 HydrophobicContact CD2-CG 4.16Å; C425-P438 HydrophobicContact CB-CB 4.44Å; P438-S440 VanDerWaalsContact C-N 3.28Å; P438-S440 PolarHBondContact O-N 3.34Å; P438-G441 PolarHBondContact O-N 3.28Å; P438-G441 VanDerWaalsContact O-N 3.08Å; P438-F442 WeakPolarHBondContact O-CD2 3.27Å
439	G	97	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-60.9	-34.7	-177.4	0	0	0	0	0	113.7	D421 G441 F442 G443 Q444 H450	D421-G439 WeakPolarHBondContact OD2-CA 3.07Å; D421-G439 PolarHBondContact OD2-N 3.35Å; G439-G441 PolarHBondContact O-N 3.3Å; G439-G441 VanDerWaalsContact O-N 3.1Å; G439-F442 WeakPolarHBondContact O-CA 3.36Å; G439-F442 PolarHBondContact O-N 3.05Å; G439-G443 PolarHBondContact O-N 3.34Å; G439-Q444 VanDerWaalsContact C-OE1 3.32Å; G439-H450 WeakPolarHBondContact CA-O 3.34Å; G439-H450 PolarHBondContact N-O 3.17Å
440	S	94.8	Very high	96.7	Very high	49 Å²	49	32.4 Å²	32.4	34%	0.343	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-53.1	-30.8	173.2	45.1	0	0	0	0	112.8	D421 P438 F442 G443	D421-S440 WeakPolarHBondContact OD1-CB 3.46Å; D421-S440 PolarHBondContact OD1-OG 3.14Å; D421-S440 WeakPolarHBondContact OD2-CB 3.48Å; D421-S440 PolarHBondContact OD2-N 3.26Å; D421-S440 PolarHBondContact OD2-OG 2.66Å; P438-S440 VanDerWaalsContact C-N 3.28Å; P438-S440 PolarHBondContact O-N 3.34Å; S440-F442 VanDerWaalsContact C-N 3.27Å; S440-F442 PolarHBondContact O-N 3.39Å; S440-G443 PolarHBondContact O-N 2.79Å
441	G	93.5	Very high	96.7	Very high	18 Å²	18	29.7 Å²	29.7	19%	0.186	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-70.7	-16.2	174.6	0	0	0	0	0	115.7	A20 P438 G439	A20-G441 VanDerWaalsContact CB-O 3.3Å; A20-G441 WeakPolarHBondContact CB-O 3.37Å; P438-G441 PolarHBondContact O-N 3.28Å; P438-G441 VanDerWaalsContact O-N 3.08Å; G439-G441 PolarHBondContact O-N 3.3Å; G439-G441 VanDerWaalsContact O-N 3.1Å
442	F	95.9	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-105.6	-6.4	175.8	-55	-88.6	0	0	0	111.5	V21 P171 Q172 P174 P229 F400 V437 P438 G439 S440 R452	V21-F442 HydrophobicContact CG2-CE1 4.3Å; V21-F442 HydrophobicContact CG2-CZ 4.44Å; P171-F442 CarbonylContact C-O 3.39Å; P171-F442 WeakPolarHBondContact CA-O 3.41Å; P171-F442 HydrophobicContact CB-CB 3.87Å; Q172-F442 VanDerWaalsContact CG-O 3.31Å; Q172-F442 WeakPolarHBondContact CG-O 3.21Å; Q172-F442 PolarHBondContact N-O 3.45Å; Q172-F442 VanDerWaalsContact O-CD1 3.23Å; Q172-F442 WeakPolarHBondContact O-CD1 3.39Å; P174-F442 HydrophobicContact CG-CD1 4.12Å; P174-F442 HydrophobicContact CG-CE1 4.28Å; P229-F442 HydrophobicContact CB-CD1 4.06Å; P229-F442 HydrophobicContact CB-CE1 4.15Å; P229-F442 HydrophobicContact CB-CG 4.44Å; P229-F442 HydrophobicContact CG-CB 4.23Å; P229-F442 HydrophobicContact CG-CD1 3.91Å; P229-F442 HydrophobicContact CG-CE1 4.5Å; P229-F442 HydrophobicContact CG-CG 3.99Å; F400-F442 HydrophobicContact CE2-CB 4.38Å; F400-F442 AromaticContact CE2-CD2 3.68Å; F400-F442 HydrophobicContact CE2-CD2 3.68Å; F400-F442 HydrophobicContact CE2-CE2 4.24Å; F400-F442 HydrophobicContact CE2-CG 4.15Å; F400-F442 HydrophobicContact CZ-CB 4.25Å; F400-F442 HydrophobicContact CZ-CD2 4.26Å; V437-F442 HydrophobicContact CB-CE2 3.64Å; V437-F442 HydrophobicContact CB-CZ 3.78Å; V437-F442 HydrophobicContact CG1-CD2 4.42Å; V437-F442 HydrophobicContact CG1-CE2 3.38Å; V437-F442 HydrophobicContact CG1-CZ 3.59Å; V437-F442 HydrophobicContact CG2-CZ 4.4Å; P438-F442 WeakPolarHBondContact O-CD2 3.27Å; G439-F442 WeakPolarHBondContact O-CA 3.36Å; G439-F442 PolarHBondContact O-N 3.05Å; S440-F442 VanDerWaalsContact C-N 3.27Å; S440-F442 PolarHBondContact O-N 3.39Å; F442-R452 HydrophobicContact CD2-CB 4.47Å; F442-R452 VanDerWaalsContact CE1-NH1 3.34Å; F442-R452 HydrophobicContact CE2-CB 3.58Å; F442-R452 HydrophobicContact CZ-CB 3.63Å; F442-R452 HydrophobicContact CZ-CG 4.24Å
443	G	95	Very high	96.7	Very high	21 Å²	21	25.1 Å²	25.1	22%	0.216	15%	0.147	C	C	.	.			trans	72.7	147.3	-161.8	0	0	0	0	0	111.4	I170 P171 G439 S440	I170-G443 VanDerWaalsContact CG2-C 3.47Å; P171-G443 WeakPolarHBondContact CA-O 3.45Å; P171-G443 WeakPolarHBondContact CB-O 3.46Å; G439-G443 PolarHBondContact O-N 3.34Å; S440-G443 PolarHBondContact O-N 2.79Å
444	Q	96.3	Very high	96.7	Very high	36 Å²	36	25.1 Å²	25.1	17%	0.168	15%	0.147	C	C	.	.			trans	-154.7	167.3	179.6	62.9	-158.1	-7	0	0	109.3	D421 G439 T448 H450	D421-Q444 PolarHBondContact OD2-NE2 3.25Å; D421-Q444 PolarHBondContact OD2-OE1 2.99Å; G439-Q444 VanDerWaalsContact C-OE1 3.32Å; Q444-T448 VanDerWaalsContact CD-O 3.25Å; Q444-T448 PolarHBondContact NE2-O 2.93Å; Q444-H450 PolarHBondContact OE1-CD2 3.08Å
445	Q	95.6	Very high	96.6	Very high	88 Å²	88	25.1 Å²	25.1	41%	0.411	15%	0.147	S	C	.	.			trans	-66.1	147.3	173.6	-71.3	-174.4	2	0	0	110.3	Y191 G447 T448	Y191-Q445 HydrophobicContact CD1-CG 3.72Å; Y191-Q445 HydrophobicContact CE1-CG 4.13Å; Y191-Q445 HydrophobicContact CG-CG 4.46Å; Q445-G447 PolarHBondContact O-N 3.37Å; Q445-T448 HydrophobicContact CB-CG2 3.88Å; Q445-T448 PolarHBondContact O-N 2.96Å; Q445-T448 VanDerWaalsContact O-N 3.11Å; Q445-T448 PolarHBondContact O-OG1 3.22Å; Q445-T448 VanDerWaalsContact O-OG1 3.09Å
446	E	94.5	Very high	96.5	Very high	199 Å²	199	25.1 Å²	25.1	93%	0.93	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	134.7	178.2	-172	173.8	-177	0	0	110.6	T448	E446-T448 VanDerWaalsContact C-N 3.26Å; E446-T448 PolarHBondContact O-N 3.08Å
447	G	95.6	Very high	96.4	Very high	51 Å²	51	25.4 Å²	25.4	53%	0.526	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	0.9	-177.3	0	0	0	0	0	115	Q445	Q445-G447 PolarHBondContact O-N 3.37Å
448	T	97.7	Very high	96.3	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.043	17%	0.166	C	C	.	.			trans	-103.2	152.5	169.5	83.1	0	0	0	0	111	Q444 Q445 E446 H450	Q444-T448 VanDerWaalsContact CD-O 3.25Å; Q444-T448 PolarHBondContact NE2-O 2.93Å; Q445-T448 HydrophobicContact CB-CG2 3.88Å; Q445-T448 PolarHBondContact O-N 2.96Å; Q445-T448 VanDerWaalsContact O-N 3.11Å; Q445-T448 PolarHBondContact O-OG1 3.22Å; Q445-T448 VanDerWaalsContact O-OG1 3.09Å; E446-T448 VanDerWaalsContact C-N 3.26Å; E446-T448 PolarHBondContact O-N 3.08Å; T448-H450 WeakPolarHBondContact CB-NE2 3.44Å; T448-H450 PolarHBondContact OG1-CD2 2.96Å; T448-H450 PolarHBondContact OG1-NE2 3.38Å
449	Y	98.5	Very high	96.2	Very high	39 Å²	39	30 Å²	30	15%	0.153	18%	0.176	C	C	.	.			trans	-138.1	126.5	-175.8	-55.2	-66.7	0	0	0	109	R402 I403 L405 I410 P420	R402-Y449 WeakPolarHBondContact CA-O 3.49Å; I403-Y449 PolarHBondContact N-O 3.3Å; L405-Y449 HydrophobicContact CB-CD2 4.12Å; L405-Y449 HydrophobicContact CD1-CD1 4.3Å; L405-Y449 HydrophobicContact CD1-CD2 3.83Å; L405-Y449 HydrophobicContact CD1-CE2 4.49Å; L405-Y449 HydrophobicContact CD1-CG 3.72Å; L405-Y449 HydrophobicContact CG-CD2 4.18Å; L405-Y449 HydrophobicContact CG-CG 4.41Å; I410-Y449 HydrophobicContact CD1-CE2 3.61Å; I410-Y449 HydrophobicContact CG1-CE2 3.98Å; P420-Y449 HydrophobicContact CB-CD1 3.76Å; P420-Y449 HydrophobicContact CB-CE1 3.54Å; P420-Y449 HydrophobicContact CB-CG 4.38Å; P420-Y449 HydrophobicContact CG-CD1 4.14Å; P420-Y449 HydrophobicContact CG-CE1 3.43Å; P420-Y449 VanDerWaalsContact CG-CE1 3.43Å
450	H	98.6	Very high	96.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-133.8	171.4	-173.8	-59.7	-104.4	0	0	0	111.2	E194 W198 F400 P401 R402 D421 G439 Q444 T448	E194-H450 IonicContact OE1-CE1 2.86Å; E194-H450 PolarHBondContact OE1-CE1 3.48Å; E194-H450 VanDerWaalsContact OE1-CE1 3.23Å; E194-H450 IonicContact OE1-ND1 2.75Å; E194-H450 IonicContact OE2-CE1 2.84Å; W198-H450 AromaticContact CH2-CE1 3.78Å; F400-H450 HydrophobicContact CD1-CB 4.04Å; F400-H450 AromaticContact CD1-ND1 3.79Å; F400-H450 HydrophobicContact CD2-CB 4.41Å; F400-H450 HydrophobicContact CE1-CB 3.53Å; F400-H450 AromaticContact CE1-CG 3.58Å; F400-H450 AromaticContact CE1-ND1 3.77Å; F400-H450 HydrophobicContact CE2-CB 3.95Å; F400-H450 HydrophobicContact CG-CB 4.46Å; F400-H450 HydrophobicContact CZ-CB 3.5Å; F400-H450 VanDerWaalsContact CZ-CB 3.5Å; P401-H450 VanDerWaalsContact O-CA 3.23Å; P401-H450 WeakPolarHBondContact O-CA 3.19Å; P401-H450 VanDerWaalsContact O-CB 3.28Å; P401-H450 WeakPolarHBondContact O-CB 3.07Å; P401-H450 PolarHBondContact O-ND1 3.4Å; R402-H450 VanDerWaalsContact CB-CE1 3.5Å; R402-H450 WeakPolarHBondContact CB-CE1 3.22Å; D421-H450 WeakPolarHBondContact CB-O 3.47Å; G439-H450 WeakPolarHBondContact CA-O 3.34Å; G439-H450 PolarHBondContact N-O 3.17Å; Q444-H450 PolarHBondContact OE1-CD2 3.08Å; T448-H450 WeakPolarHBondContact CB-NE2 3.44Å; T448-H450 PolarHBondContact OG1-CD2 2.96Å; T448-H450 PolarHBondContact OG1-NE2 3.38Å
451	F	98.2	Very high	96.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.6	158.3	66.3	-84.3	0	0	0	109.3	L382 M388 P401 I403 Y424 C425 V436 V437 T453	L382-F451 HydrophobicContact CD2-CZ 4Å; M388-F451 HydrophobicContact CE-CE1 3.97Å; M388-F451 HydrophobicContact SD-CE1 4.11Å; P401-F451 HydrophobicContact CB-CE1 4.24Å; P401-F451 HydrophobicContact CB-CZ 4.43Å; P401-F451 WeakPolarHBondContact CD-O 3.35Å; P401-F451 HydrophobicContact CG-CD1 3.84Å; P401-F451 HydrophobicContact CG-CD2 4.13Å; P401-F451 HydrophobicContact CG-CE1 3.43Å; P401-F451 VanDerWaalsContact CG-CE1 3.43Å; P401-F451 HydrophobicContact CG-CE2 3.73Å; P401-F451 HydrophobicContact CG-CG 4.2Å; P401-F451 HydrophobicContact CG-CZ 3.38Å; P401-F451 PolarHBondContact O-N 3.19Å; I403-F451 HydrophobicContact CD1-CD1 3.59Å; I403-F451 HydrophobicContact CD1-CE1 4.03Å; I403-F451 HydrophobicContact CG1-CD1 3.91Å; I403-F451 HydrophobicContact CG1-CE1 3.99Å; Y424-F451 HydrophobicContact CE1-CD1 4.39Å; Y424-F451 HydrophobicContact CE1-CE1 4.29Å; C425-F451 VanDerWaalsContact SG-CB 3.57Å; V436-F451 HydrophobicContact CB-CB 4.49Å; V436-F451 HydrophobicContact CB-CD2 3.8Å; V436-F451 HydrophobicContact CB-CG 4.5Å; V436-F451 HydrophobicContact CG1-CD2 3.79Å; V436-F451 HydrophobicContact CG1-CE2 4.05Å; V436-F451 HydrophobicContact CG2-CB 4.24Å; V436-F451 HydrophobicContact CG2-CD2 3.96Å; V436-F451 HydrophobicContact CG2-CG 4.29Å; V437-F451 CarbonylContact O-C 3.54Å; V437-F451 WeakPolarHBondContact O-CA 3.31Å; V437-F451 WeakPolarHBondContact O-CB 3.28Å; F451-T453 HydrophobicContact CE2-CG2 4.09Å
452	R	97.9	Very high	96.3	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.011	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.9	168.2	-170.7	-171.3	74.1	-169.9	-7.8	109.9	N51 N228 P229 Y398 A399 F400 V436 V437 F442	N51-R452 PolarHBondContact O-NH2 3.22Å; N228-R452 PolarHBondContact OD1-NH1 3.35Å; N228-R452 VanDerWaalsContact OD1-NH1 3.14Å; P229-R452 HydrophobicContact CB-CB 4.09Å; P229-R452 VanDerWaalsContact CB-CD 3.43Å; P229-R452 HydrophobicContact CB-CG 3.67Å; Y398-R452 HydrophobicContact CD1-CG 4.11Å; Y398-R452 HydrophobicContact CG-CG 4.15Å; A399-R452 WeakPolarHBondContact O-CA 3.32Å; F400-R452 HydrophobicContact CD2-CB 3.9Å; F400-R452 HydrophobicContact CE2-CB 4.26Å; V436-R452 WeakPolarHBondContact CB-O 3.26Å; V437-R452 HydrophobicContact CB-CB 4.5Å; V437-R452 PolarHBondContact N-O 3.06Å; V437-R452 VanDerWaalsContact N-O 3.15Å; V437-R452 PolarHBondContact O-N 3.26Å; F442-R452 HydrophobicContact CD2-CB 4.47Å; F442-R452 VanDerWaalsContact CE1-NH1 3.34Å; F442-R452 HydrophobicContact CE2-CB 3.58Å; F442-R452 HydrophobicContact CZ-CB 3.63Å; F442-R452 HydrophobicContact CZ-CG 4.24Å
453	T	97.8	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.4	165.7	-174.3	0	0	0	0	110.2	T378 L382 Y398 A399 F451	T378-T453 HydrophobicContact CG2-CG2 4.2Å; L382-T453 HydrophobicContact CD1-CG2 4.46Å; Y398-T453 CarbonylContact C-O 3.52Å; Y398-T453 VanDerWaalsContact CA-O 3.31Å; Y398-T453 WeakPolarHBondContact CA-O 3.42Å; A399-T453 HydrophobicContact CB-CG2 3.99Å; A399-T453 PolarHBondContact N-O 3.49Å; A399-T453 PolarHBondContact O-N 3.06Å; F451-T453 HydrophobicContact CE2-CG2 4.09Å
454	T	96.6	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	151.9	171.6	-168.3	0	0	0	0	111.9	C50 I52 M397 L456	C50-T454 WeakPolarHBondContact O-CG2 3.33Å; C50-T454 PolarHBondContact O-N 3.24Å; I52-T454 WeakPolarHBondContact O-CG2 3.36Å; M397-T454 WeakPolarHBondContact O-CA 3.25Å; M397-T454 PolarHBondContact O-OG1 3.24Å; T454-L456 VanDerWaalsContact C-N 3.35Å; T454-L456 HydrophobicContact CG2-CB 3.97Å; T454-L456 HydrophobicContact CG2-CG 4.46Å; T454-L456 WeakPolarHBondContact OG1-CB 3.44Å; T454-L456 WeakPolarHBondContact OG1-CD1 3.44Å; T454-L456 WeakPolarHBondContact OG1-CG 3.48Å; T454-L456 PolarHBondContact OG1-N 3.49Å
455	I	96.4	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-98.7	20	172.2	63.4	168	0	0	0	112.2	Y264 K374 A375 T378 V393 M397 M462	Y264-I455 HydrophobicContact CE2-CD1 3.75Å; Y264-I455 WeakPolarHBondContact OH-CD1 3.39Å; K374-I455 HydrophobicContact CB-CB 4.12Å; K374-I455 WeakPolarHBondContact CB-O 3.45Å; K374-I455 WeakPolarHBondContact CD-O 3.33Å; A375-I455 HydrophobicContact CB-CD1 3.73Å; T378-I455 HydrophobicContact CG2-CG2 4.03Å; T378-I455 WeakPolarHBondContact OG1-CG2 3.45Å; V393-I455 HydrophobicContact CG1-CD1 4.12Å; M397-I455 PolarHBondContact O-N 2.85Å; M397-I455 VanDerWaalsContact O-N 3.07Å; I455-M462 HydrophobicContact CB-CE 4.4Å; I455-M462 HydrophobicContact CG2-CE 4.35Å
456	L	95.7	Very high	96.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.205	C	C	.	.			trans	-78.4	-36.6	-174.4	-77.7	177	0	0	0	116.3	C55 T58 L371 K374 M397 T454	C55-L456 HydrophobicContact CB-CD2 4.24Å; T58-L456 HydrophobicContact CG2-CB 3.93Å; T58-L456 WeakPolarHBondContact OG1-CB 3.3Å; L371-L456 HydrophobicContact CD2-CD2 4.07Å; K374-L456 PolarHBondContact NZ-O 3.09Å; M397-L456 HydrophobicContact CB-CG 4.41Å; M397-L456 HydrophobicContact CE-CD1 4.03Å; M397-L456 HydrophobicContact CG-CD2 4.41Å; M397-L456 HydrophobicContact SD-CD1 4.37Å; M397-L456 HydrophobicContact SD-CD2 3.93Å; M397-L456 HydrophobicContact SD-CG 4.47Å; T454-L456 VanDerWaalsContact C-N 3.35Å; T454-L456 HydrophobicContact CG2-CB 3.97Å; T454-L456 HydrophobicContact CG2-CG 4.46Å; T454-L456 WeakPolarHBondContact OG1-CB 3.44Å; T454-L456 WeakPolarHBondContact OG1-CD1 3.44Å; T454-L456 WeakPolarHBondContact OG1-CG 3.48Å; T454-L456 PolarHBondContact OG1-N 3.49Å
457	P	94.8	Very high	96.7	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.039	19%	0.185	C	C	.	.	S	Bend	trans	-50.5	161	178.3	-28.2	33.5	0	0	0	113.9	K374 K461 M462	K374-P457 WeakPolarHBondContact CD-O 3.3Å; K374-P457 WeakPolarHBondContact CE-O 3.41Å; K374-P457 PolarHBondContact NZ-O 3.04Å; P457-K461 HydrophobicContact CB-CB 3.83Å; P457-K461 HydrophobicContact CB-CG 3.77Å; P457-M462 HydrophobicContact CB-CG 4.12Å; P457-M462 HydrophobicContact CB-SD 3.83Å; P457-M462 HydrophobicContact CG-SD 3.84Å
458	S	94.5	Very high	96.9	Very high	54 Å²	54	35.7 Å²	35.7	38%	0.378	17%	0.166	S	C	.	.			trans	-56.7	157.1	176.4	72	0	0	0	0	111.5	E460 K461 M462	S458-E460 PolarHBondContact O-N 3.46Å; S458-K461 CarbonylContact O-C 3.44Å; S458-K461 WeakPolarHBondContact O-CA 3.37Å; S458-K461 PolarHBondContact O-N 3.21Å; S458-K461 WeakPolarHBondContact OG-CB 3.39Å; S458-K461 PolarHBondContact OG-N 2.87Å; S458-M462 WeakPolarHBondContact O-CG 3.43Å; S458-M462 PolarHBondContact O-N 2.96Å
459	I	95.4	Very high	96.9	Very high	56 Å²	56	35.3 Å²	35.3	29%	0.287	16%	0.164	S	C	.	.	H	α-helix	trans	-54.2	-42.8	178.9	-71.8	172.4	0	0	0	111.4	D373 K374 I377 M462 K463	D373-I459 HydrophobicContact CB-CD1 4.12Å; K374-I459 HydrophobicContact CG-CG1 3.87Å; I377-I459 HydrophobicContact CD1-CG2 3.84Å; I459-M462 PolarHBondContact O-N 3.11Å; I459-K463 HydrophobicContact CG2-CD 4.41Å; I459-K463 WeakPolarHBondContact O-CG 3.47Å; I459-K463 PolarHBondContact O-N 3.27Å
460	E	95.7	Very high	96.9	Very high	161 Å²	161	37.1 Å²	37.1	75%	0.752	17%	0.173	S	C	*	.	H	α-helix	trans	-62.7	-44.3	176.5	-62.4	179.9	151.2	0	0	111.8	S458 M462 K463 Y464	S458-E460 PolarHBondContact O-N 3.46Å; E460-M462 VanDerWaalsContact C-N 3.34Å; E460-M462 PolarHBondContact O-N 3.33Å; E460-K463 PolarHBondContact O-N 3.06Å; E460-Y464 PolarHBondContact O-N 3.44Å
461	K	95.2	Very high	96.9	Very high	61 Å²	61	40.7 Å²	40.7	27%	0.265	19%	0.19	S	C	.	.	H	α-helix	trans	-65.5	-38.3	176.7	-168.4	65.8	61.8	177.2	0	111.3	E46 V48 P457 S458 Y464 V465	E46-K461 IonicContact OE1-NZ 3.75Å; E46-K461 PolarHBondContact OE1-NZ 2.71Å; E46-K461 IonicContact OE2-NZ 3Å; V48-K461 HydrophobicContact CG1-CD 4.18Å; V48-K461 HydrophobicContact CG1-CG 4.07Å; V48-K461 HydrophobicContact CG2-CD 4.17Å; P457-K461 HydrophobicContact CB-CB 3.83Å; P457-K461 HydrophobicContact CB-CG 3.77Å; S458-K461 CarbonylContact O-C 3.44Å; S458-K461 WeakPolarHBondContact O-CA 3.37Å; S458-K461 PolarHBondContact O-N 3.21Å; S458-K461 WeakPolarHBondContact OG-CB 3.39Å; S458-K461 PolarHBondContact OG-N 2.87Å; K461-Y464 HydrophobicContact CD-CD1 4.2Å; K461-Y464 WeakPolarHBondContact O-CB 3.38Å; K461-Y464 PolarHBondContact O-N 3.28Å; K461-V465 HydrophobicContact CG-CG2 4.4Å; K461-V465 WeakPolarHBondContact O-CB 3.37Å; K461-V465 VanDerWaalsContact O-CG2 3.26Å; K461-V465 WeakPolarHBondContact O-CG2 3.43Å; K461-V465 PolarHBondContact O-N 2.95Å
462	M	95.5	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-45.6	175.8	-73.1	-56.8	-66.3	0	0	111.5	K374 T378 I455 P457 S458 I459 E460 Y464 V465 M466	K374-M462 HydrophobicContact CB-CG 4.41Å; K374-M462 HydrophobicContact CD-CG 4.49Å; K374-M462 HydrophobicContact CG-CG 4.14Å; T378-M462 HydrophobicContact CG2-CE 4.47Å; T378-M462 WeakPolarHBondContact OG1-CE 3.3Å; I455-M462 HydrophobicContact CB-CE 4.4Å; I455-M462 HydrophobicContact CG2-CE 4.35Å; P457-M462 HydrophobicContact CB-CG 4.12Å; P457-M462 HydrophobicContact CB-SD 3.83Å; P457-M462 HydrophobicContact CG-SD 3.84Å; S458-M462 WeakPolarHBondContact O-CG 3.43Å; S458-M462 PolarHBondContact O-N 2.96Å; I459-M462 PolarHBondContact O-N 3.11Å; E460-M462 VanDerWaalsContact C-N 3.34Å; E460-M462 PolarHBondContact O-N 3.33Å; M462-Y464 VanDerWaalsContact C-N 3.32Å; M462-Y464 PolarHBondContact O-N 2.58Å; M462-V465 PolarHBondContact O-N 2.78Å; M462-M466 HydrophobicContact CE-CE 3.82Å; M462-M466 WeakPolarHBondContact O-CB 3.31Å; M462-M466 VanDerWaalsContact O-CG 3.29Å; M462-M466 WeakPolarHBondContact O-CG 3.29Å; M462-M466 PolarHBondContact O-N 3.01Å
463	K	97	Very high	96.9	Very high	129 Å²	129	40.6 Å²	40.6	56%	0.561	19%	0.19	S	C	*	.	H	α-helix	trans	-58.8	-43.5	174.1	-71.7	175.4	179	180	0	111.8	I377 I459 E460 K467	I377-K463 HydrophobicContact CG2-CG 4.49Å; I459-K463 HydrophobicContact CG2-CD 4.41Å; I459-K463 WeakPolarHBondContact O-CG 3.47Å; I459-K463 PolarHBondContact O-N 3.27Å; E460-K463 PolarHBondContact O-N 3.06Å; K463-K467 WeakPolarHBondContact O-CB 3.5Å; K463-K467 PolarHBondContact O-N 3.49Å; K463-K467 VanDerWaalsContact O-N 3.12Å
464	Y	96.8	Very high	97	Very high	79 Å²	79	44.6 Å²	44.6	31%	0.31	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-51	174.5	170.2	-98.6	0	0	0	112.1	V48 E460 K461 M462 M466 K467 Q468	V48-Y464 HydrophobicContact CG2-CE1 4.24Å; E460-Y464 PolarHBondContact O-N 3.44Å; K461-Y464 HydrophobicContact CD-CD1 4.2Å; K461-Y464 WeakPolarHBondContact O-CB 3.38Å; K461-Y464 PolarHBondContact O-N 3.28Å; M462-Y464 VanDerWaalsContact C-N 3.32Å; M462-Y464 PolarHBondContact O-N 2.58Å; Y464-M466 PolarHBondContact O-N 3.4Å; Y464-K467 PolarHBondContact O-N 3.31Å; Y464-Q468 HydrophobicContact CD1-CG 4.4Å; Y464-Q468 HydrophobicContact CD2-CG 4.17Å; Y464-Q468 HydrophobicContact CE1-CG 3.95Å; Y464-Q468 HydrophobicContact CE2-CG 3.69Å; Y464-Q468 WeakPolarHBondContact O-CG 3.43Å; Y464-Q468 PolarHBondContact O-N 2.9Å
465	V	97.4	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-48.7	179.8	170.1	0	0	0	0	110.5	V48 I434 K461 M462 K467 Q468 I469	V48-V465 HydrophobicContact CB-CG2 4.16Å; V48-V465 HydrophobicContact CG1-CG2 3.6Å; V48-V465 HydrophobicContact CG2-CG2 4.38Å; I434-V465 HydrophobicContact CD1-CG1 4.04Å; I434-V465 HydrophobicContact CG1-CG1 4.42Å; I434-V465 HydrophobicContact CG2-CG1 4.22Å; K461-V465 HydrophobicContact CG-CG2 4.4Å; K461-V465 WeakPolarHBondContact O-CB 3.37Å; K461-V465 VanDerWaalsContact O-CG2 3.26Å; K461-V465 WeakPolarHBondContact O-CG2 3.43Å; K461-V465 PolarHBondContact O-N 2.95Å; M462-V465 PolarHBondContact O-N 2.78Å; V465-K467 VanDerWaalsContact C-N 3.33Å; V465-K467 PolarHBondContact O-N 2.71Å; V465-Q468 PolarHBondContact O-N 2.78Å; V465-Q468 VanDerWaalsContact O-N 3.12Å; V465-I469 HydrophobicContact CG1-CD1 3.79Å; V465-I469 HydrophobicContact CG1-CG1 4.22Å; V465-I469 WeakPolarHBondContact O-CG1 3.31Å; V465-I469 PolarHBondContact O-N 3.32Å
466	M	98.2	Very high	97.1	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.034	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-43.2	-179.7	-70.4	-54.1	119.4	0	0	112.1	I377 T378 A381 L382 M462 Y464 Q468 I469 E470	I377-M466 HydrophobicContact CG2-CG 4.4Å; T378-M466 HydrophobicContact CG2-CE 4Å; T378-M466 HydrophobicContact CG2-SD 4.25Å; A381-M466 HydrophobicContact CB-CB 3.67Å; A381-M466 HydrophobicContact CB-CG 3.66Å; A381-M466 HydrophobicContact CB-SD 3.96Å; L382-M466 HydrophobicContact CD2-SD 4.35Å; L382-M466 HydrophobicContact CG-SD 4.21Å; M462-M466 HydrophobicContact CE-CE 3.82Å; M462-M466 WeakPolarHBondContact O-CB 3.31Å; M462-M466 VanDerWaalsContact O-CG 3.29Å; M462-M466 WeakPolarHBondContact O-CG 3.29Å; M462-M466 PolarHBondContact O-N 3.01Å; Y464-M466 PolarHBondContact O-N 3.4Å; M466-Q468 PolarHBondContact O-N 2.93Å; M466-I469 HydrophobicContact CE-CD1 4.06Å; M466-I469 PolarHBondContact O-N 3.33Å; M466-E470 WeakPolarHBondContact O-CB 3.43Å; M466-E470 PolarHBondContact O-N 2.93Å
467	K	98.1	Very high	97.2	Very high	120 Å²	120	48.2 Å²	48.2	52%	0.522	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-42.5	174.6	-177.4	-179.9	178.1	-176.7	0	112.2	K463 Y464 V465 E470 E471	K463-K467 WeakPolarHBondContact O-CB 3.5Å; K463-K467 PolarHBondContact O-N 3.49Å; K463-K467 VanDerWaalsContact O-N 3.12Å; Y464-K467 PolarHBondContact O-N 3.31Å; V465-K467 VanDerWaalsContact C-N 3.33Å; V465-K467 PolarHBondContact O-N 2.71Å; K467-E470 PolarHBondContact O-N 3.17Å; K467-E471 WeakPolarHBondContact CE-OE1 3.44Å; K467-E471 WeakPolarHBondContact O-CG 3.47Å; K467-E471 PolarHBondContact O-N 2.88Å
468	Q	98.2	Very high	97.3	Very high	25 Å²	25	56.6 Å²	56.6	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-36.2	178.7	-68.9	-51	-80.3	0	0	112.5	K432 I434 Y464 V465 M466 E471 F472	K432-Q468 HydrophobicContact CB-CB 4.4Å; K432-Q468 HydrophobicContact CD-CB 4.3Å; K432-Q468 HydrophobicContact CG-CB 4.47Å; I434-Q468 HydrophobicContact CD1-CB 3.48Å; I434-Q468 VanDerWaalsContact CD1-CB 3.48Å; Y464-Q468 HydrophobicContact CD1-CG 4.4Å; Y464-Q468 HydrophobicContact CD2-CG 4.17Å; Y464-Q468 HydrophobicContact CE1-CG 3.95Å; Y464-Q468 HydrophobicContact CE2-CG 3.69Å; Y464-Q468 WeakPolarHBondContact O-CG 3.43Å; Y464-Q468 PolarHBondContact O-N 2.9Å; V465-Q468 PolarHBondContact O-N 2.78Å; V465-Q468 VanDerWaalsContact O-N 3.12Å; M466-Q468 PolarHBondContact O-N 2.93Å; Q468-E471 PolarHBondContact NE2-OE2 2.73Å; Q468-E471 VanDerWaalsContact NE2-OE2 3.1Å; Q468-F472 WeakPolarHBondContact O-CB 3.16Å; Q468-F472 PolarHBondContact O-N 2.97Å
469	I	98.5	Very high	97.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-46.1	171	-65.9	176.5	0	0	0	109.8	M385 L428 I434 V465 M466 F472 H473	M385-I469 HydrophobicContact CE-CB 4.1Å; M385-I469 HydrophobicContact CE-CG2 3.77Å; M385-I469 HydrophobicContact SD-CG2 3.84Å; L428-I469 HydrophobicContact CD1-CG1 4.3Å; L428-I469 HydrophobicContact CD2-CG1 4.21Å; I434-I469 HydrophobicContact CD1-CG1 3.94Å; I434-I469 HydrophobicContact CG2-CG1 4.47Å; V465-I469 HydrophobicContact CG1-CD1 3.79Å; V465-I469 HydrophobicContact CG1-CG1 4.22Å; V465-I469 WeakPolarHBondContact O-CG1 3.31Å; V465-I469 PolarHBondContact O-N 3.32Å; M466-I469 HydrophobicContact CE-CD1 4.06Å; M466-I469 PolarHBondContact O-N 3.33Å; I469-F472 PolarHBondContact O-N 3.08Å; I469-H473 WeakPolarHBondContact O-CB 3.01Å; I469-H473 PolarHBondContact O-N 3.12Å
470	E	98.5	Very high	97.6	Very high	76 Å²	76	58 Å²	58	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-58.1	-51.6	178.7	-175.3	176.9	-158.9	0	0	112.1	M385 M466 K467 F472 H473 I474	M385-E470 HydrophobicContact CE-CB 3.95Å; M385-E470 HydrophobicContact CG-CB 4.41Å; M385-E470 HydrophobicContact CG-CG 4.31Å; M385-E470 HydrophobicContact SD-CB 4.45Å; M466-E470 WeakPolarHBondContact O-CB 3.43Å; M466-E470 PolarHBondContact O-N 2.93Å; K467-E470 PolarHBondContact O-N 3.17Å; E470-F472 PolarHBondContact O-N 3.5Å; E470-H473 PolarHBondContact O-N 3.41Å; E470-I474 HydrophobicContact CG-CD1 3.85Å; E470-I474 WeakPolarHBondContact O-CG1 3.36Å; E470-I474 PolarHBondContact O-N 3.13Å
471	E	98.2	Very high	97.3	Very high	77 Å²	77	55.3 Å²	55.3	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-45.1	178.9	-74	173.5	-169.3	0	0	112	K432 K467 Q468 S475	K432-E471 IonicContact NZ-OE2 3.53Å; K432-E471 PolarHBondContact NZ-OE2 2.77Å; K467-E471 WeakPolarHBondContact CE-OE1 3.44Å; K467-E471 WeakPolarHBondContact O-CG 3.47Å; K467-E471 PolarHBondContact O-N 2.88Å; Q468-E471 PolarHBondContact NE2-OE2 2.73Å; Q468-E471 VanDerWaalsContact NE2-OE2 3.1Å; E471-S475 WeakPolarHBondContact O-CB 3.03Å; E471-S475 PolarHBondContact O-N 2.75Å
472	F	98.6	Very high	97.4	Very high	1 Å²	1	55 Å²	55	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-48	175	166	-100	0	0	0	111.1	Y424 Q427 L428 E431 K432 Q468 I469 E470 I474 S475 F476	Y424-F472 HydrophobicContact CD1-CE1 4.21Å; Y424-F472 AromaticContact CD2-CE1 3.96Å; Y424-F472 HydrophobicContact CD2-CE1 3.96Å; Y424-F472 HydrophobicContact CD2-CZ 4.43Å; Y424-F472 HydrophobicContact CE1-CD1 4.46Å; Y424-F472 AromaticContact CE1-CE1 3.83Å; Y424-F472 HydrophobicContact CE1-CE1 3.83Å; Y424-F472 HydrophobicContact CE2-CD1 4.31Å; Y424-F472 AromaticContact CE2-CE1 3.56Å; Y424-F472 HydrophobicContact CE2-CE1 3.56Å; Y424-F472 HydrophobicContact CE2-CZ 4.4Å; Y424-F472 HydrophobicContact CG-CE1 4.27Å; Y424-F472 AromaticContact CZ-CD1 3.98Å; Y424-F472 AromaticContact CZ-CE1 3.49Å; Y424-F472 VanDerWaalsContact CZ-CE1 3.49Å; Q427-F472 HydrophobicContact CB-CE2 3.76Å; Q427-F472 HydrophobicContact CB-CZ 3.7Å; L428-F472 HydrophobicContact CB-CD1 3.92Å; L428-F472 HydrophobicContact CB-CE1 3.64Å; L428-F472 HydrophobicContact CB-CE2 4.42Å; L428-F472 HydrophobicContact CB-CG 4.4Å; L428-F472 HydrophobicContact CB-CZ 3.92Å; L428-F472 HydrophobicContact CD1-CB 3.89Å; L428-F472 HydrophobicContact CD1-CD1 3.57Å; L428-F472 HydrophobicContact CD1-CD2 4.46Å; L428-F472 HydrophobicContact CD1-CE1 4.22Å; L428-F472 HydrophobicContact CD1-CG 3.7Å; L428-F472 HydrophobicContact CG-CD1 4.25Å; L428-F472 HydrophobicContact CG-CE1 4.43Å; L428-F472 VanDerWaalsContact N-CZ 3.33Å; E431-F472 HydrophobicContact CB-CD2 4.16Å; K432-F472 HydrophobicContact CG-CB 3.77Å; K432-F472 HydrophobicContact CG-CG 4.48Å; Q468-F472 WeakPolarHBondContact O-CB 3.16Å; Q468-F472 PolarHBondContact O-N 2.97Å; I469-F472 PolarHBondContact O-N 3.08Å; E470-F472 PolarHBondContact O-N 3.5Å; F472-I474 PolarHBondContact O-N 2.97Å; F472-S475 WeakPolarHBondContact O-CB 3.32Å; F472-S475 PolarHBondContact O-N 2.91Å; F472-F476 HydrophobicContact CE1-CB 4.29Å; F472-F476 HydrophobicContact CE1-CD2 4.29Å; F472-F476 HydrophobicContact CE1-CG 4.43Å; F472-F476 HydrophobicContact CE2-CB 4.34Å; F472-F476 HydrophobicContact CE2-CD2 4.04Å; F472-F476 HydrophobicContact CZ-CB 4.11Å; F472-F476 AromaticContact CZ-CD2 3.55Å; F472-F476 HydrophobicContact CZ-CD2 3.55Å; F472-F476 HydrophobicContact CZ-CE2 4.3Å; F472-F476 HydrophobicContact CZ-CG 4.08Å; F472-F476 VanDerWaalsContact O-CB 3.27Å; F472-F476 WeakPolarHBondContact O-CB 3.45Å; F472-F476 PolarHBondContact O-N 2.83Å
473	H	98.6	Very high	97.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-48	-175.6	-177.8	82.2	0	0	0	111.5	M385 P386 M388 Y424 I469 E470 S475 F476 M477	M385-H473 HydrophobicContact SD-CB 4.32Å; P386-H473 PolarHBondContact O-NE2 2.85Å; M388-H473 WeakPolarHBondContact CE-ND1 3.32Å; Y424-H473 AromaticContact CE2-ND1 3.83Å; Y424-H473 AromaticContact CZ-ND1 3.76Å; Y424-H473 PolarHBondContact OH-ND1 3.48Å; I469-H473 WeakPolarHBondContact O-CB 3.01Å; I469-H473 PolarHBondContact O-N 3.12Å; E470-H473 PolarHBondContact O-N 3.41Å; H473-S475 VanDerWaalsContact C-N 3.34Å; H473-S475 PolarHBondContact O-N 3.46Å; H473-F476 PolarHBondContact O-N 3.33Å; H473-M477 WeakPolarHBondContact CE1-CE 3.41Å; H473-M477 WeakPolarHBondContact O-CB 3.48Å; H473-M477 WeakPolarHBondContact O-CG 3.27Å; H473-M477 PolarHBondContact O-N 2.86Å
474	I	98.3	Very high	97.5	Very high	83 Å²	83	53.9 Å²	53.9	43%	0.426	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-44.2	177.4	-67.7	169	0	0	0	110.8	E470 F472 K478	E470-I474 HydrophobicContact CG-CD1 3.85Å; E470-I474 WeakPolarHBondContact O-CG1 3.36Å; E470-I474 PolarHBondContact O-N 3.13Å; F472-I474 PolarHBondContact O-N 2.97Å; I474-K478 WeakPolarHBondContact O-CB 3.29Å; I474-K478 PolarHBondContact O-N 3.08Å
475	S	98.1	Very high	97.5	Very high	64 Å²	64	52.5 Å²	52.5	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-46.9	177.2	-177.2	0	0	0	0	112	E471 F472 H473 K478 K479	E471-S475 WeakPolarHBondContact O-CB 3.03Å; E471-S475 PolarHBondContact O-N 2.75Å; F472-S475 WeakPolarHBondContact O-CB 3.32Å; F472-S475 PolarHBondContact O-N 2.91Å; H473-S475 VanDerWaalsContact C-N 3.34Å; H473-S475 PolarHBondContact O-N 3.46Å; S475-K478 PolarHBondContact O-N 3.23Å; S475-K479 WeakPolarHBondContact O-CB 3.48Å; S475-K479 PolarHBondContact O-N 2.99Å
476	F	98.4	Very high	97.6	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-47.7	178.8	-174.8	-80.9	0	0	0	111	L405 A409 F423 Y424 Q427 F472 H473 K478 K479 Y480	L405-F476 HydrophobicContact CD2-CE1 3.79Å; L405-F476 HydrophobicContact CD2-CZ 4.41Å; A409-F476 HydrophobicContact CB-CE1 3.68Å; A409-F476 HydrophobicContact CB-CZ 3.85Å; F423-F476 HydrophobicContact CD1-CE2 4.18Å; F423-F476 AromaticContact CD1-CZ 3.89Å; F423-F476 HydrophobicContact CD1-CZ 3.89Å; F423-F476 AromaticContact CE1-CE2 3.74Å; F423-F476 HydrophobicContact CE1-CE2 3.74Å; F423-F476 AromaticContact CE1-CZ 3.62Å; F423-F476 HydrophobicContact CE1-CZ 3.62Å; F423-F476 HydrophobicContact CZ-CE2 4.35Å; Y424-F476 AromaticContact CD2-CD1 3.84Å; Y424-F476 HydrophobicContact CD2-CD1 3.84Å; Y424-F476 HydrophobicContact CD2-CD2 4.3Å; Y424-F476 AromaticContact CD2-CE1 3.78Å; Y424-F476 HydrophobicContact CD2-CE1 3.78Å; Y424-F476 HydrophobicContact CD2-CE2 4.22Å; Y424-F476 HydrophobicContact CD2-CG 4.12Å; Y424-F476 AromaticContact CD2-CZ 3.96Å; Y424-F476 HydrophobicContact CD2-CZ 3.96Å; Y424-F476 HydrophobicContact CE2-CD1 4.05Å; Y424-F476 HydrophobicContact CE2-CE1 4.43Å; Y424-F476 HydrophobicContact CE2-CG 4.23Å; Q427-F476 HydrophobicContact CB-CD2 4.49Å; Q427-F476 HydrophobicContact CB-CE2 4.37Å; Q427-F476 HydrophobicContact CG-CE2 4.29Å; F472-F476 HydrophobicContact CE1-CB 4.29Å; F472-F476 HydrophobicContact CE1-CD2 4.29Å; F472-F476 HydrophobicContact CE1-CG 4.43Å; F472-F476 HydrophobicContact CE2-CB 4.34Å; F472-F476 HydrophobicContact CE2-CD2 4.04Å; F472-F476 HydrophobicContact CZ-CB 4.11Å; F472-F476 AromaticContact CZ-CD2 3.55Å; F472-F476 HydrophobicContact CZ-CD2 3.55Å; F472-F476 HydrophobicContact CZ-CE2 4.3Å; F472-F476 HydrophobicContact CZ-CG 4.08Å; F472-F476 VanDerWaalsContact O-CB 3.27Å; F472-F476 WeakPolarHBondContact O-CB 3.45Å; F472-F476 PolarHBondContact O-N 2.83Å; H473-F476 PolarHBondContact O-N 3.33Å; F476-K478 PolarHBondContact O-N 3.32Å; F476-K479 PolarHBondContact O-N 3.18Å; F476-Y480 AromaticContact CD1-CD2 3.83Å; F476-Y480 HydrophobicContact CD1-CD2 3.83Å; F476-Y480 HydrophobicContact CD1-CE2 4.36Å; F476-Y480 HydrophobicContact CD2-CD2 4Å; F476-Y480 AromaticContact CD2-CE2 3.69Å; F476-Y480 HydrophobicContact CD2-CE2 3.69Å; F476-Y480 AromaticContact CE1-CD2 3.6Å; F476-Y480 HydrophobicContact CE1-CD2 3.6Å; F476-Y480 HydrophobicContact CE1-CE2 4.1Å; F476-Y480 AromaticContact CE2-CD2 3.82Å; F476-Y480 HydrophobicContact CE2-CD2 3.82Å; F476-Y480 AromaticContact CE2-CE2 3.41Å; F476-Y480 HydrophobicContact CE2-CE2 3.41Å; F476-Y480 VanDerWaalsContact CE2-CE2 3.41Å; F476-Y480 HydrophobicContact CG-CD2 4.01Å; F476-Y480 HydrophobicContact CG-CE2 4.16Å; F476-Y480 AromaticContact CZ-CD2 3.61Å; F476-Y480 HydrophobicContact CZ-CD2 3.61Å; F476-Y480 AromaticContact CZ-CE2 3.63Å; F476-Y480 HydrophobicContact CZ-CE2 3.63Å; F476-Y480 VanDerWaalsContact O-CD2 3.26Å; F476-Y480 WeakPolarHBondContact O-CD2 3.28Å; F476-Y480 PolarHBondContact O-N 2.92Å; F476-Y480 VanDerWaalsContact O-N 3.13Å
477	M	97.8	Very high	97.5	Very high	10 Å²	10	59 Å²	59	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-47.7	177	-72.5	-59.6	178.2	0	0	110.7	N387 I403 P406 H473 K479 Y480 S481	N387-M477 HydrophobicContact CB-CE 4.06Å; I403-M477 HydrophobicContact CG2-CE 3.65Å; P406-M477 HydrophobicContact CG-SD 4.2Å; H473-M477 WeakPolarHBondContact CE1-CE 3.41Å; H473-M477 WeakPolarHBondContact O-CB 3.48Å; H473-M477 WeakPolarHBondContact O-CG 3.27Å; H473-M477 PolarHBondContact O-N 2.86Å; M477-K479 VanDerWaalsContact C-N 3.33Å; M477-K479 PolarHBondContact O-N 3.43Å; M477-Y480 PolarHBondContact O-N 3.11Å; M477-S481 WeakPolarHBondContact O-CB 3.35Å; M477-S481 PolarHBondContact O-N 2.92Å; M477-S481 PolarHBondContact O-OG 3.17Å
478	K	97.3	Very high	97.5	Very high	181 Å²	181	54.6 Å²	54.6	79%	0.787	28%	0.278	S	S	*	.	H	α-helix	trans	-61.3	-38.4	176.9	-176.4	177.9	179.3	179.5	0	113	I474 S475 F476 Y480	I474-K478 WeakPolarHBondContact O-CB 3.29Å; I474-K478 PolarHBondContact O-N 3.08Å; S475-K478 PolarHBondContact O-N 3.23Å; F476-K478 PolarHBondContact O-N 3.32Å; K478-Y480 VanDerWaalsContact C-N 3.32Å; K478-Y480 PolarHBondContact O-N 2.81Å
479	K	97.6	Very high	97.4	Very high	118 Å²	118	56.9 Å²	56.9	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-33.4	179.8	-179.1	177.3	176.5	-178	0	112.7	S475 F476 M477	S475-K479 WeakPolarHBondContact O-CB 3.48Å; S475-K479 PolarHBondContact O-N 2.99Å; F476-K479 PolarHBondContact O-N 3.18Å; M477-K479 VanDerWaalsContact C-N 3.33Å; M477-K479 PolarHBondContact O-N 3.43Å
480	Y	97.2	Very high	97.3	Very high	21 Å²	21	61.7 Å²	61.7	8%	0.082	32%	0.315	C	S	.	.	H	α-helix	trans	-115.3	4.3	-174.3	-61.9	-70.1	0	0	0	115	P406 K408 A409 E412 F423 F476 M477 K478	P406-Y480 VanDerWaalsContact CB-O 3.3Å; P406-Y480 WeakPolarHBondContact CB-O 3.29Å; P406-Y480 WeakPolarHBondContact CG-O 3.27Å; K408-Y480 HydrophobicContact CB-CD1 4.4Å; K408-Y480 VanDerWaalsContact CB-O 3.29Å; K408-Y480 WeakPolarHBondContact CB-O 3.45Å; A409-Y480 HydrophobicContact CB-CD1 4.34Å; A409-Y480 HydrophobicContact CB-CD2 4.05Å; A409-Y480 HydrophobicContact CB-CG 3.79Å; E412-Y480 HydrophobicContact CB-CE1 4.15Å; E412-Y480 HydrophobicContact CG-CE1 4.11Å; F423-Y480 HydrophobicContact CE1-CE1 4.47Å; F423-Y480 HydrophobicContact CE1-CE2 4.02Å; F423-Y480 AromaticContact CE1-CZ 3.89Å; F423-Y480 HydrophobicContact CZ-CE1 4.44Å; F423-Y480 HydrophobicContact CZ-CE2 4.2Å; F423-Y480 AromaticContact CZ-CZ 3.74Å; F423-Y480 VanDerWaalsContact CZ-OH 3.3Å; F423-Y480 WeakPolarHBondContact CZ-OH 3.3Å; F476-Y480 AromaticContact CD1-CD2 3.83Å; F476-Y480 HydrophobicContact CD1-CD2 3.83Å; F476-Y480 HydrophobicContact CD1-CE2 4.36Å; F476-Y480 HydrophobicContact CD2-CD2 4Å; F476-Y480 AromaticContact CD2-CE2 3.69Å; F476-Y480 HydrophobicContact CD2-CE2 3.69Å; F476-Y480 AromaticContact CE1-CD2 3.6Å; F476-Y480 HydrophobicContact CE1-CD2 3.6Å; F476-Y480 HydrophobicContact CE1-CE2 4.1Å; F476-Y480 AromaticContact CE2-CD2 3.82Å; F476-Y480 HydrophobicContact CE2-CD2 3.82Å; F476-Y480 AromaticContact CE2-CE2 3.41Å; F476-Y480 HydrophobicContact CE2-CE2 3.41Å; F476-Y480 VanDerWaalsContact CE2-CE2 3.41Å; F476-Y480 HydrophobicContact CG-CD2 4.01Å; F476-Y480 HydrophobicContact CG-CE2 4.16Å; F476-Y480 AromaticContact CZ-CD2 3.61Å; F476-Y480 HydrophobicContact CZ-CD2 3.61Å; F476-Y480 AromaticContact CZ-CE2 3.63Å; F476-Y480 HydrophobicContact CZ-CE2 3.63Å; F476-Y480 VanDerWaalsContact O-CD2 3.26Å; F476-Y480 WeakPolarHBondContact O-CD2 3.28Å; F476-Y480 PolarHBondContact O-N 2.92Å; F476-Y480 VanDerWaalsContact O-N 3.13Å; M477-Y480 PolarHBondContact O-N 3.11Å; K478-Y480 VanDerWaalsContact C-N 3.32Å; K478-Y480 PolarHBondContact O-N 2.81Å
481	S	89.5	Confident	97.2	Very high	105 Å²	105	60.4 Å²	60.4	73%	0.734	31%	0.311	S	S	*	.			trans	-61.6	0	172	-70	0	0	0	0	112.6	K408 M477	K408-S481 WeakPolarHBondContact CE-O 3.4Å; K408-S481 PolarHBondContact NZ-O 2.79Å; M477-S481 WeakPolarHBondContact O-CB 3.35Å; M477-S481 PolarHBondContact O-N 2.92Å; M477-S481 PolarHBondContact O-OG 3.17Å

Retrieved 481 of 481 residues in 248.6 ms (Link to these results)

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