A0A096N7D3_PAPAN Loading...

Beta-galactoside alpha-2,6-sialyltransferase 1

AlphaFold DB , UniProt , Accession A0A096N7D3, Species PAPAN (Papio anubis, Olive baboon), Gene ST6GAL1, Length 406 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	52.2	Low	57.9	Low	221 Å²	221	136.8 Å²	136.8	100%	1.089	67%	0.673	S	S	*	*				0	5	0	-134.5	173.8	-154	0	0	114.9
2	I	49.8	Very low	59.2	Low	152 Å²	152	131.8 Å²	131.8	78%	0.779	66%	0.659	S	S	*	*			trans	-98	-25.7	-174.2	-63.1	170.2	0	0	0	112.6
3	H	46.9	Very low	60.5	Low	141 Å²	141	128.3 Å²	128.3	65%	0.653	65%	0.654	S	S	*	*	H	α-helix	trans	-78	-26.3	-172	-149.4	39.6	0	0	0	114.4
4	T	51.6	Low	62	Low	101 Å²	101	123.8 Å²	123.8	62%	0.62	64%	0.635	S	S	*	*	H	α-helix	trans	-74.4	-26.3	177.6	28.2	0	0	0	0	113.4	K8	T4-K8 PolarHBondContact O-N 3.28Å
5	N	54	Low	63.4	Low	102 Å²	102	122.3 Å²	122.3	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-78.8	-33.4	-179.3	-129.7	-40.4	0	0	0	111.9	K9	N5-K9 PolarHBondContact O-N 3.17Å; N5-K9 VanDerWaalsContact O-N 3.13Å
6	L	55.8	Low	64.6	Low	118 Å²	118	120.6 Å²	120.6	62%	0.618	63%	0.625	S	S	*	*	H	α-helix	trans	-70	-40.7	175.9	-161.2	70.8	0	0	0	111.8	K8 K9 F10	L6-K8 PolarHBondContact O-N 3.02Å; L6-K9 PolarHBondContact O-N 3.39Å; L6-F10 WeakPolarHBondContact O-CB 3.27Å; L6-F10 PolarHBondContact O-N 3.41Å
7	K	58.2	Low	65.8	Low	147 Å²	147	122.4 Å²	122.4	64%	0.639	63%	0.628	S	S	*	*	H	α-helix	trans	-62.7	-38.4	175	-77.4	-170.9	175.7	-175.7	0	112.8	S11	K7-S11 VanDerWaalsContact O-CB 3.23Å; K7-S11 WeakPolarHBondContact O-CB 3.39Å; K7-S11 PolarHBondContact O-N 3Å
8	K	61.1	Low	66.9	Low	163 Å²	163	121.1 Å²	121.1	71%	0.709	62%	0.621	S	S	*	*	H	α-helix	trans	-68	-42.4	175.5	-83.9	-173.4	175.3	-177.3	0	112.6	T4 L6 S11 C12	T4-K8 PolarHBondContact O-N 3.28Å; L6-K8 PolarHBondContact O-N 3.02Å; K8-S11 PolarHBondContact O-N 3.26Å; K8-C12 WeakPolarHBondContact O-CB 3.43Å; K8-C12 PolarHBondContact O-N 2.8Å
9	K	63.7	Low	67.8	Low	144 Å²	144	120.6 Å²	120.6	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-66	-40.2	176.1	-74.6	-174.3	177.6	-175.3	0	112.3	N5 L6 C12 C13	N5-K9 PolarHBondContact O-N 3.17Å; N5-K9 VanDerWaalsContact O-N 3.13Å; L6-K9 PolarHBondContact O-N 3.39Å; K9-C12 PolarHBondContact O-N 2.71Å; K9-C13 PolarHBondContact O-N 3.02Å; K9-C13 PolarHBondContact O-SG 2.83Å
10	F	69.2	Low	68.6	Low	149 Å²	149	121.2 Å²	121.2	65%	0.654	62%	0.618	S	S	*	*	H	α-helix	trans	-66.5	-43	176.3	-155.8	-95.2	0	0	0	111.5	L6 C12 C13 V14	L6-F10 WeakPolarHBondContact O-CB 3.27Å; L6-F10 PolarHBondContact O-N 3.41Å; F10-C12 VanDerWaalsContact C-N 3.33Å; F10-C12 PolarHBondContact O-N 2.88Å; F10-C13 PolarHBondContact O-N 2.66Å; F10-V14 HydrophobicContact CD1-CG2 4.04Å; F10-V14 HydrophobicContact CE1-CG2 4.02Å; F10-V14 VanDerWaalsContact O-CG2 3.3Å; F10-V14 WeakPolarHBondContact O-CG2 3.44Å; F10-V14 PolarHBondContact O-N 2.9Å
11	S	74.1	Confident	69.3	Low	67 Å²	67	117.2 Å²	117.2	47%	0.469	60%	0.603	S	S	.	*	H	α-helix	trans	-60.2	-41.1	175	-174.4	0	0	0	0	112.4	K7 K8 V14 L15	K7-S11 VanDerWaalsContact O-CB 3.23Å; K7-S11 WeakPolarHBondContact O-CB 3.39Å; K7-S11 PolarHBondContact O-N 3Å; K8-S11 PolarHBondContact O-N 3.26Å; S11-V14 PolarHBondContact O-N 2.93Å; S11-L15 WeakPolarHBondContact O-CG 3.47Å; S11-L15 PolarHBondContact O-N 3.21Å
12	C	73.9	Confident	70.7	Confident	76 Å²	76	111.3 Å²	111.3	51%	0.514	58%	0.579	S	S	.	*	H	α-helix	trans	-66.1	-41.4	176.6	-159.5	0	0	0	0	112.3	K8 K9 F10 V14 L15 V16	K8-C12 WeakPolarHBondContact O-CB 3.43Å; K8-C12 PolarHBondContact O-N 2.8Å; K9-C12 PolarHBondContact O-N 2.71Å; F10-C12 VanDerWaalsContact C-N 3.33Å; F10-C12 PolarHBondContact O-N 2.88Å; C12-V14 PolarHBondContact O-N 3.1Å; C12-L15 PolarHBondContact O-N 2.9Å; C12-V16 WeakPolarHBondContact O-CG2 3.45Å; C12-V16 PolarHBondContact O-N 3.32Å
13	C	75.6	Confident	72.1	Confident	87 Å²	87	109 Å²	109	59%	0.588	57%	0.567	S	S	*	*	H	α-helix	trans	-64.3	-40	176.3	-65.7	0	0	0	0	112.1	K9 F10 V16 F17	K9-C13 PolarHBondContact O-N 3.02Å; K9-C13 PolarHBondContact O-SG 2.83Å; F10-C13 PolarHBondContact O-N 2.66Å; C13-V16 PolarHBondContact O-N 3.29Å; C13-F17 WeakPolarHBondContact O-CB 3.38Å; C13-F17 PolarHBondContact O-N 3.46Å
14	V	81.8	Confident	73.3	Confident	65 Å²	65	104.8 Å²	104.8	39%	0.394	55%	0.553	S	S	.	*	H	α-helix	trans	-64.2	-41.6	175.9	172.7	0	0	0	0	110.9	F10 S11 C12 F17 L18	F10-V14 HydrophobicContact CD1-CG2 4.04Å; F10-V14 HydrophobicContact CE1-CG2 4.02Å; F10-V14 VanDerWaalsContact O-CG2 3.3Å; F10-V14 WeakPolarHBondContact O-CG2 3.44Å; F10-V14 PolarHBondContact O-N 2.9Å; S11-V14 PolarHBondContact O-N 2.93Å; C12-V14 PolarHBondContact O-N 3.1Å; V14-F17 PolarHBondContact O-N 3.21Å; V14-L18 HydrophobicContact CG1-CD1 3.91Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.42Å; V14-L18 VanDerWaalsContact O-CG 3.28Å; V14-L18 WeakPolarHBondContact O-CG 3.38Å; V14-L18 PolarHBondContact O-N 2.86Å
15	L	83.1	Confident	74.3	Confident	101 Å²	101	104.6 Å²	104.6	53%	0.529	55%	0.552	S	S	.	*	H	α-helix	trans	-63.9	-41.4	176.6	-78.8	163.9	0	0	0	112.8	S11 C12 L18 L19	S11-L15 WeakPolarHBondContact O-CG 3.47Å; S11-L15 PolarHBondContact O-N 3.21Å; C12-L15 PolarHBondContact O-N 2.9Å; L15-L18 PolarHBondContact O-N 3.45Å; L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 PolarHBondContact O-N 2.83Å
16	V	82.8	Confident	74.9	Confident	96 Å²	96	107.9 Å²	107.9	58%	0.582	56%	0.556	S	S	*	*	H	α-helix	trans	-65	-41.3	176	172.3	0	0	0	0	111	C12 C13 L19 F20	C12-V16 WeakPolarHBondContact O-CG2 3.45Å; C12-V16 PolarHBondContact O-N 3.32Å; C13-V16 PolarHBondContact O-N 3.29Å; V16-L19 PolarHBondContact O-N 3.22Å; V16-F20 WeakPolarHBondContact O-CB 3.2Å; V16-F20 PolarHBondContact O-N 3.3Å
17	F	85.7	Confident	75.1	Confident	151 Å²	151	109 Å²	109	66%	0.662	56%	0.557	S	S	*	*	H	α-helix	trans	-66.7	-39.6	177.9	-156.7	-89.2	0	0	0	112	C13 V14 F20 A21	C13-F17 WeakPolarHBondContact O-CB 3.38Å; C13-F17 PolarHBondContact O-N 3.46Å; V14-F17 PolarHBondContact O-N 3.21Å; F17-F20 PolarHBondContact O-N 2.61Å; F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 2.88Å
18	L	84.8	Confident	75.3	Confident	99 Å²	99	109.1 Å²	109.1	52%	0.518	56%	0.559	S	S	.	*	H	α-helix	trans	-64.6	-42.2	174.3	-73.4	169.7	0	0	0	111.9	V14 L15 A21 V22	V14-L18 HydrophobicContact CG1-CD1 3.91Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.42Å; V14-L18 VanDerWaalsContact O-CG 3.28Å; V14-L18 WeakPolarHBondContact O-CG 3.38Å; V14-L18 PolarHBondContact O-N 2.86Å; L15-L18 PolarHBondContact O-N 3.45Å; L18-A21 PolarHBondContact O-N 3.28Å; L18-V22 WeakPolarHBondContact O-CB 3.39Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å; L18-V22 PolarHBondContact O-N 3.06Å
19	L	84.1	Confident	75	Confident	112 Å²	112	109 Å²	109	59%	0.586	56%	0.559	S	S	*	*	H	α-helix	trans	-61.1	-44.3	174	-101	154.3	0	0	0	111.9	L15 V16 V22 I23	L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.22Å; L19-V22 PolarHBondContact O-N 3.03Å; L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.39Å; L19-I23 PolarHBondContact O-N 2.84Å
20	F	84	Confident	74.4	Confident	132 Å²	132	108.7 Å²	108.7	58%	0.579	56%	0.557	S	S	*	*	H	α-helix	trans	-62.6	-44.3	175.7	-175	-98	0	0	0	111.7	V16 F17 V22 I23 C24	V16-F20 WeakPolarHBondContact O-CB 3.2Å; V16-F20 PolarHBondContact O-N 3.3Å; F17-F20 PolarHBondContact O-N 2.61Å; F20-V22 PolarHBondContact O-N 2.86Å; F20-I23 PolarHBondContact O-N 3.49Å; F20-C24 VanDerWaalsContact CE1-SG 3.55Å; F20-C24 WeakPolarHBondContact O-CB 3.49Å; F20-C24 PolarHBondContact O-N 3.02Å; F20-C24 PolarHBondContact O-SG 3.27Å; F20-C24 VanDerWaalsContact O-SG 3.37Å
21	A	82.3	Confident	73.5	Confident	38 Å²	38	108.2 Å²	108.2	31%	0.314	56%	0.555	S	S	.	*	H	α-helix	trans	-62.6	-41.2	176.5	0	0	0	0	0	112.1	F17 L18 C24 V25	F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 3.28Å; A21-C24 PolarHBondContact O-N 3.4Å; A21-V25 WeakPolarHBondContact O-CB 3.3Å; A21-V25 VanDerWaalsContact O-CG2 3.23Å; A21-V25 WeakPolarHBondContact O-CG2 3.39Å; A21-V25 PolarHBondContact O-N 2.95Å
22	V	83.2	Confident	72.1	Confident	96 Å²	96	106.5 Å²	106.5	58%	0.582	55%	0.548	S	S	*	.	H	α-helix	trans	-63.5	-41.9	175.1	170.2	0	0	0	0	110.9	L18 L19 F20 V25 W26	L18-V22 WeakPolarHBondContact O-CB 3.39Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å; L18-V22 PolarHBondContact O-N 3.06Å; L19-V22 PolarHBondContact O-N 3.03Å; F20-V22 PolarHBondContact O-N 2.86Å; V22-V25 PolarHBondContact O-N 2.92Å; V22-W26 WeakPolarHBondContact O-CB 2.95Å; V22-W26 PolarHBondContact O-N 3.25Å
23	I	78.5	Confident	70.7	Confident	103 Å²	103	106.7 Å²	106.7	53%	0.528	55%	0.55	S	S	.	.	H	α-helix	trans	-64.7	-42.3	176	-68.2	165.5	0	0	0	111	L19 F20 W26 K27	L19-I23 VanDerWaalsContact O-CG1 3.25Å; L19-I23 WeakPolarHBondContact O-CG1 3.39Å; L19-I23 PolarHBondContact O-N 2.84Å; F20-I23 PolarHBondContact O-N 3.49Å; I23-W26 PolarHBondContact O-N 3.18Å; I23-K27 VanDerWaalsContact O-CB 3.3Å; I23-K27 WeakPolarHBondContact O-CB 3.32Å; I23-K27 PolarHBondContact O-N 3.29Å
24	C	72.4	Confident	69.1	Low	53 Å²	53	110 Å²	110	36%	0.358	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-46.9	176.1	-75.8	0	0	0	0	111.9	F20 A21 W26 K27 E28	F20-C24 VanDerWaalsContact CE1-SG 3.55Å; F20-C24 WeakPolarHBondContact O-CB 3.49Å; F20-C24 PolarHBondContact O-N 3.02Å; F20-C24 PolarHBondContact O-SG 3.27Å; F20-C24 VanDerWaalsContact O-SG 3.37Å; A21-C24 PolarHBondContact O-N 3.4Å; C24-W26 VanDerWaalsContact C-N 3.34Å; C24-W26 PolarHBondContact O-N 3.31Å; C24-K27 PolarHBondContact O-N 3.08Å; C24-E28 PolarHBondContact O-N 3Å
25	V	71.4	Confident	67.2	Low	98 Å²	98	115 Å²	115	59%	0.594	56%	0.564	S	S	*	*	H	α-helix	trans	-66	-37.2	177.2	172.5	0	0	0	0	111	A21 V22 E28 K29	A21-V25 WeakPolarHBondContact O-CB 3.3Å; A21-V25 VanDerWaalsContact O-CG2 3.23Å; A21-V25 WeakPolarHBondContact O-CG2 3.39Å; A21-V25 PolarHBondContact O-N 2.95Å; V22-V25 PolarHBondContact O-N 2.92Å; V25-E28 PolarHBondContact O-N 3.3Å; V25-K29 VanDerWaalsContact O-CB 3.26Å; V25-K29 WeakPolarHBondContact O-CB 3.28Å; V25-K29 PolarHBondContact O-N 3.39Å
26	W	68.1	Low	65.2	Low	170 Å²	170	115.1 Å²	115.1	64%	0.644	57%	0.565	S	S	*	*	H	α-helix	trans	-66.8	-38.6	175	-160.9	84.9	0	0	0	111.9	V22 I23 C24 K29 K30	V22-W26 WeakPolarHBondContact O-CB 2.95Å; V22-W26 PolarHBondContact O-N 3.25Å; I23-W26 PolarHBondContact O-N 3.18Å; C24-W26 VanDerWaalsContact C-N 3.34Å; C24-W26 PolarHBondContact O-N 3.31Å; W26-K29 PolarHBondContact O-N 2.97Å; W26-K30 HydrophobicContact CH2-CD 4.48Å; W26-K30 HydrophobicContact CZ3-CD 4.18Å; W26-K30 WeakPolarHBondContact O-CB 3.42Å; W26-K30 PolarHBondContact O-N 2.86Å
27	K	58.7	Low	63.2	Low	143 Å²	143	113.9 Å²	113.9	62%	0.622	56%	0.561	S	S	*	*	H	α-helix	trans	-67.8	-38.6	174.9	-167.2	177.1	-178.3	178	0	112.1	I23 C24 K31	I23-K27 VanDerWaalsContact O-CB 3.3Å; I23-K27 WeakPolarHBondContact O-CB 3.32Å; I23-K27 PolarHBondContact O-N 3.29Å; C24-K27 PolarHBondContact O-N 3.08Å; K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.12Å
28	E	62.6	Low	61.2	Low	149 Å²	149	112.3 Å²	112.3	70%	0.696	55%	0.554	S	S	*	*	H	α-helix	trans	-67.2	-43.1	171.6	-76.9	-127.9	140.1	0	0	112	C24 V25 K30 K31 G32	C24-E28 PolarHBondContact O-N 3Å; V25-E28 PolarHBondContact O-N 3.3Å; E28-K30 VanDerWaalsContact C-N 3.26Å; E28-K30 PolarHBondContact O-N 2.77Å; E28-K31 CarbonylContact O-C 3.57Å; E28-K31 WeakPolarHBondContact O-CB 3.41Å; E28-K31 PolarHBondContact O-N 3.34Å; E28-K31 VanDerWaalsContact O-N 3.11Å; E28-G32 PolarHBondContact O-N 3.26Å
29	K	55.4	Low	59	Low	159 Å²	159	113.9 Å²	113.9	69%	0.691	56%	0.557	S	S	*	*	H	α-helix	trans	-63.6	-31.8	176.8	-159.3	175.5	-175.3	178.8	0	112	V25 W26 S33	V25-K29 VanDerWaalsContact O-CB 3.26Å; V25-K29 WeakPolarHBondContact O-CB 3.28Å; V25-K29 PolarHBondContact O-N 3.39Å; W26-K29 PolarHBondContact O-N 2.97Å; K29-S33 VanDerWaalsContact O-CB 3.27Å; K29-S33 WeakPolarHBondContact O-CB 3.33Å; K29-S33 PolarHBondContact O-N 3.08Å
30	K	51.1	Low	56.6	Low	138 Å²	138	114 Å²	114	60%	0.6	56%	0.557	S	S	*	*	H	α-helix	trans	-72.7	-35.2	173.1	-152.7	178.2	-174	-179.7	0	112.7	W26 E28 Y34	W26-K30 HydrophobicContact CH2-CD 4.48Å; W26-K30 HydrophobicContact CZ3-CD 4.18Å; W26-K30 WeakPolarHBondContact O-CB 3.42Å; W26-K30 PolarHBondContact O-N 2.86Å; E28-K30 VanDerWaalsContact C-N 3.26Å; E28-K30 PolarHBondContact O-N 2.77Å; K30-Y34 PolarHBondContact O-N 2.97Å
31	K	49.7	Very low	54.8	Low	140 Å²	140	113.7 Å²	113.7	61%	0.609	56%	0.558	S	S	*	*	H	α-helix	trans	-67.5	-45.2	169.2	-83.3	-177.3	173.9	-177.1	0	111.3	K27 E28 Y34 Y35	K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.12Å; E28-K31 CarbonylContact O-C 3.57Å; E28-K31 WeakPolarHBondContact O-CB 3.41Å; E28-K31 PolarHBondContact O-N 3.34Å; E28-K31 VanDerWaalsContact O-N 3.11Å; K31-Y34 WeakPolarHBondContact O-CB 3.49Å; K31-Y34 PolarHBondContact O-N 3.09Å; K31-Y35 WeakPolarHBondContact O-CD2 3.37Å; K31-Y35 PolarHBondContact O-N 3.3Å; K31-Y35 VanDerWaalsContact O-N 3.12Å
32	G	44	Very low	52.8	Low	30 Å²	30	115.9 Å²	115.9	31%	0.309	57%	0.567	S	S	.	*	H	α-helix	trans	-60.5	-43.7	176.6	0	0	0	0	0	112.6	E28 Y34 Y35 D36	E28-G32 PolarHBondContact O-N 3.26Å; G32-Y34 VanDerWaalsContact C-N 3.31Å; G32-Y34 PolarHBondContact O-N 3.29Å; G32-Y35 CarbonylContact O-C 3.4Å; G32-Y35 PolarHBondContact O-N 2.81Å; G32-D36 WeakPolarHBondContact O-CB 2.92Å; G32-D36 PolarHBondContact O-N 3.13Å
33	S	45	Very low	50.5	Low	80 Å²	80	117.9 Å²	117.9	56%	0.559	57%	0.568	S	S	*	*	H	α-helix	trans	-63.8	-32.1	176	177.9	0	0	0	0	113.5	K29 S37	K29-S33 VanDerWaalsContact O-CB 3.27Å; K29-S33 WeakPolarHBondContact O-CB 3.33Å; K29-S33 PolarHBondContact O-N 3.08Å; S33-S37 VanDerWaalsContact O-CB 3.32Å; S33-S37 WeakPolarHBondContact O-CB 3.43Å; S33-S37 PolarHBondContact O-N 3.4Å
34	Y	43.1	Very low	48.6	Very low	157 Å²	157	119.4 Å²	119.4	62%	0.616	57%	0.573	S	S	*	*	H	α-helix	trans	-69.7	-41.8	173.2	-169.5	-97.9	0	0	0	111.6	K30 K31 G32 F38	K30-Y34 PolarHBondContact O-N 2.97Å; K31-Y34 WeakPolarHBondContact O-CB 3.49Å; K31-Y34 PolarHBondContact O-N 3.09Å; G32-Y34 VanDerWaalsContact C-N 3.31Å; G32-Y34 PolarHBondContact O-N 3.29Å; Y34-F38 HydrophobicContact CD1-CD2 4.42Å; Y34-F38 HydrophobicContact CE1-CD2 4.14Å; Y34-F38 AromaticContact CE1-CE2 3.81Å; Y34-F38 HydrophobicContact CE1-CE2 3.81Å; Y34-F38 HydrophobicContact CE2-CE2 4.48Å; Y34-F38 AromaticContact CZ-CE2 3.8Å; Y34-F38 WeakPolarHBondContact O-CD2 3.42Å; Y34-F38 PolarHBondContact O-N 3.24Å
35	Y	42.2	Very low	47.2	Very low	170 Å²	170	123.6 Å²	123.6	67%	0.667	59%	0.585	S	S	*	*	H	α-helix	trans	-72.6	-36.7	176.4	-86.5	-82.5	0	0	0	113.4	K31 G32 F38 K39	K31-Y35 WeakPolarHBondContact O-CD2 3.37Å; K31-Y35 PolarHBondContact O-N 3.3Å; K31-Y35 VanDerWaalsContact O-N 3.12Å; G32-Y35 CarbonylContact O-C 3.4Å; G32-Y35 PolarHBondContact O-N 2.81Å; Y35-F38 PolarHBondContact O-N 3.3Å; Y35-K39 WeakPolarHBondContact O-CB 3.44Å; Y35-K39 PolarHBondContact O-N 3.3Å
36	D	40.6	Very low	45.7	Very low	103 Å²	103	125.8 Å²	125.8	55%	0.551	59%	0.589	S	S	*	*	H	α-helix	trans	-70.3	-33.2	176.5	-81.1	-29.3	0	0	0	111.6	G32 K39 L40	G32-D36 WeakPolarHBondContact O-CB 2.92Å; G32-D36 PolarHBondContact O-N 3.13Å; D36-K39 PolarHBondContact O-N 3.37Å; D36-L40 VanDerWaalsContact O-CB 3.25Å; D36-L40 WeakPolarHBondContact O-CB 3.38Å; D36-L40 PolarHBondContact O-N 2.79Å
37	S	40.3	Very low	44.2	Very low	71 Å²	71	122.2 Å²	122.2	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-59.9	-46.6	170.1	-177.1	0	0	0	0	111.3	S33 K39 Q41	S33-S37 VanDerWaalsContact O-CB 3.32Å; S33-S37 WeakPolarHBondContact O-CB 3.43Å; S33-S37 PolarHBondContact O-N 3.4Å; S37-K39 VanDerWaalsContact C-N 3.34Å; S37-K39 PolarHBondContact O-N 3.11Å; S37-Q41 WeakPolarHBondContact O-CB 3.36Å; S37-Q41 PolarHBondContact O-N 3.18Å; S37-Q41 VanDerWaalsContact O-N 3.14Å
38	F	43.7	Very low	43.3	Very low	117 Å²	117	121.6 Å²	121.6	51%	0.513	59%	0.589	S	S	.	*	H	α-helix	trans	-63.6	-36.3	174.7	-95	-84.5	0	0	0	113.1	Y34 Y35 T42	Y34-F38 HydrophobicContact CD1-CD2 4.42Å; Y34-F38 HydrophobicContact CE1-CD2 4.14Å; Y34-F38 AromaticContact CE1-CE2 3.81Å; Y34-F38 HydrophobicContact CE1-CE2 3.81Å; Y34-F38 HydrophobicContact CE2-CE2 4.48Å; Y34-F38 AromaticContact CZ-CE2 3.8Å; Y34-F38 WeakPolarHBondContact O-CD2 3.42Å; Y34-F38 PolarHBondContact O-N 3.24Å; Y35-F38 PolarHBondContact O-N 3.3Å; F38-T42 PolarHBondContact O-N 3.04Å; F38-T42 PolarHBondContact O-OG1 3.4Å
39	K	38	Very low	42.2	Very low	133 Å²	133	121.8 Å²	121.8	58%	0.578	59%	0.587	S	S	*	*	H	α-helix	trans	-77.9	-33.7	-178.3	-149.9	176.9	-173	-179.6	0	113.1	Y35 D36 S37 T42 K43	Y35-K39 WeakPolarHBondContact O-CB 3.44Å; Y35-K39 PolarHBondContact O-N 3.3Å; D36-K39 PolarHBondContact O-N 3.37Å; S37-K39 VanDerWaalsContact C-N 3.34Å; S37-K39 PolarHBondContact O-N 3.11Å; K39-T42 WeakPolarHBondContact CA-OG1 3.49Å; K39-T42 PolarHBondContact O-N 2.88Å; K39-T42 PolarHBondContact O-OG1 2.78Å; K39-K43 PolarHBondContact O-N 3Å; K39-K43 VanDerWaalsContact O-N 3.17Å
40	L	34.2	Very low	41.2	Very low	113 Å²	113	118.2 Å²	118.2	59%	0.592	58%	0.582	S	S	*	*	H	α-helix	trans	-67.6	-41.7	173.6	-157.1	78.9	0	0	0	110.2	D36 T42 K43 E44	D36-L40 VanDerWaalsContact O-CB 3.25Å; D36-L40 WeakPolarHBondContact O-CB 3.38Å; D36-L40 PolarHBondContact O-N 2.79Å; L40-T42 VanDerWaalsContact C-N 3.26Å; L40-T42 PolarHBondContact O-N 2.69Å; L40-K43 PolarHBondContact O-N 3.48Å; L40-K43 VanDerWaalsContact O-N 3.15Å; L40-E44 PolarHBondContact O-N 3.3Å
41	Q	45.6	Very low	40.6	Very low	127 Å²	127	117.5 Å²	117.5	59%	0.593	58%	0.584	S	S	*	*	H	α-helix	trans	-61.9	-32.2	174.6	-138.6	175.6	3	0	0	112.5	S37 F45	S37-Q41 WeakPolarHBondContact O-CB 3.36Å; S37-Q41 PolarHBondContact O-N 3.18Å; S37-Q41 VanDerWaalsContact O-N 3.14Å; Q41-F45 WeakPolarHBondContact O-CB 3.26Å; Q41-F45 PolarHBondContact O-N 3.22Å
42	T	41.8	Very low	40	Very low	84 Å²	84	113.9 Å²	113.9	52%	0.515	59%	0.587	S	S	.	*	H	α-helix	trans	-76.1	-31.9	175.4	2.7	0	0	0	0	113.2	F38 K39 L40 Q46	F38-T42 PolarHBondContact O-N 3.04Å; F38-T42 PolarHBondContact O-OG1 3.4Å; K39-T42 WeakPolarHBondContact CA-OG1 3.49Å; K39-T42 PolarHBondContact O-N 2.88Å; K39-T42 PolarHBondContact O-OG1 2.78Å; L40-T42 VanDerWaalsContact C-N 3.26Å; L40-T42 PolarHBondContact O-N 2.69Å; T42-Q46 PolarHBondContact O-N 2.97Å
43	K	33.9	Very low	39.7	Very low	137 Å²	137	121.5 Å²	121.5	60%	0.596	61%	0.612	S	S	*	*	H	α-helix	trans	-76.3	-42.2	178.1	-83.3	-175.2	173.7	-176.2	0	112.8	K39 L40 F45 Q46 V47	K39-K43 PolarHBondContact O-N 3Å; K39-K43 VanDerWaalsContact O-N 3.17Å; L40-K43 PolarHBondContact O-N 3.48Å; L40-K43 VanDerWaalsContact O-N 3.15Å; K43-F45 PolarHBondContact O-N 2.88Å; K43-Q46 PolarHBondContact O-N 2.86Å; K43-Q46 VanDerWaalsContact O-N 3.14Å; K43-V47 PolarHBondContact O-N 2.87Å
44	E	39	Very low	39	Very low	135 Å²	135	125.2 Å²	125.2	63%	0.631	62%	0.624	S	S	*	*	H	α-helix	trans	-58.9	-35	171.7	-76.3	-175.6	157.6	0	0	111.3	L40 Q46 V47 L48	L40-E44 PolarHBondContact O-N 3.3Å; E44-Q46 PolarHBondContact O-N 3.1Å; E44-V47 PolarHBondContact O-N 2.88Å; E44-L48 PolarHBondContact O-N 3.08Å
45	F	43.3	Very low	38.5	Very low	141 Å²	141	121.8 Å²	121.8	62%	0.618	63%	0.629	S	S	*	*	H	α-helix	trans	-70.1	-29.2	177.1	-161.9	-100	0	0	0	114	Q41 K43 K49	Q41-F45 WeakPolarHBondContact O-CB 3.26Å; Q41-F45 PolarHBondContact O-N 3.22Å; K43-F45 PolarHBondContact O-N 2.88Å; F45-K49 PolarHBondContact O-N 2.84Å
46	Q	38.8	Very low	38	Very low	145 Å²	145	123.3 Å²	123.3	68%	0.678	64%	0.644	S	S	*	*	H	α-helix	trans	-73.6	-34.9	172	-89.7	-177.6	-28.3	0	0	112.3	T42 K43 E44 K49 S50	T42-Q46 PolarHBondContact O-N 2.97Å; K43-Q46 PolarHBondContact O-N 2.86Å; K43-Q46 VanDerWaalsContact O-N 3.14Å; E44-Q46 PolarHBondContact O-N 3.1Å; Q46-K49 PolarHBondContact O-N 2.79Å; Q46-S50 PolarHBondContact O-N 2.98Å
47	V	36.8	Very low	37.4	Very low	94 Å²	94	121.9 Å²	121.9	57%	0.57	65%	0.654	S	S	*	*	H	α-helix	trans	-68.9	-40.6	177.1	177.1	0	0	0	0	111	K43 E44 K49 S50 L51	K43-V47 PolarHBondContact O-N 2.87Å; E44-V47 PolarHBondContact O-N 2.88Å; V47-K49 VanDerWaalsContact C-N 3.27Å; V47-K49 PolarHBondContact O-N 3.48Å; V47-S50 WeakPolarHBondContact O-CB 3.47Å; V47-S50 PolarHBondContact O-N 2.96Å; V47-L51 HydrophobicContact CG1-CD1 4.34Å; V47-L51 PolarHBondContact O-N 2.9Å
48	L	40.2	Very low	36.8	Very low	131 Å²	131	123.8 Å²	123.8	69%	0.686	67%	0.668	S	S	*	*	H	α-helix	trans	-64.8	-30.5	176.3	-137.2	95.7	0	0	0	113	E44 S50 L51 G52	E44-L48 PolarHBondContact O-N 3.08Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.14Å; L48-L51 PolarHBondContact O-N 3.31Å; L48-G52 PolarHBondContact O-N 2.88Å
49	K	38.9	Very low	36	Very low	152 Å²	152	125.6 Å²	125.6	66%	0.661	68%	0.682	S	S	*	*	H	α-helix	trans	-71.4	-23.6	177.7	-141.9	176.5	-173.6	-178.4	0	113.3	F45 Q46 V47	F45-K49 PolarHBondContact O-N 2.84Å; Q46-K49 PolarHBondContact O-N 2.79Å; V47-K49 VanDerWaalsContact C-N 3.27Å; V47-K49 PolarHBondContact O-N 3.48Å
50	S	35.7	Very low	35.5	Very low	84 Å²	84	124.6 Å²	124.6	59%	0.587	69%	0.692	S	S	*	*	H	α-helix	trans	-77.5	-41.1	174.5	-177.5	0	0	0	0	111.4	Q46 V47 L48	Q46-S50 PolarHBondContact O-N 2.98Å; V47-S50 WeakPolarHBondContact O-CB 3.47Å; V47-S50 PolarHBondContact O-N 2.96Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.14Å
51	L	37.6	Very low	35.1	Very low	123 Å²	123	128 Å²	128	64%	0.644	71%	0.705	S	S	*	*	H	α-helix	trans	-71.9	-29.4	-179.3	-83.1	147.5	0	0	0	113.6	V47 L48 K53	V47-L51 HydrophobicContact CG1-CD1 4.34Å; V47-L51 PolarHBondContact O-N 2.9Å; L48-L51 PolarHBondContact O-N 3.31Å; L51-K53 VanDerWaalsContact C-N 3.27Å; L51-K53 PolarHBondContact O-N 2.71Å
52	G	38.2	Very low	34.3	Very low	65 Å²	65	126.8 Å²	126.8	67%	0.67	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-4	179	0	0	0	0	0	116.1	L48	L48-G52 PolarHBondContact O-N 2.88Å
53	K	35.8	Very low	33.5	Very low	190 Å²	190	129.8 Å²	129.8	83%	0.826	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-0.6	179	-88.5	-173.2	174.4	-172.7	0	114.6	L51	L51-K53 VanDerWaalsContact C-N 3.27Å; L51-K53 PolarHBondContact O-N 2.71Å
54	L	30.8	Very low	33.3	Very low	157 Å²	157	128.4 Å²	128.4	82%	0.822	74%	0.736	S	S	*	*	S	Bend	trans	-103.5	6.1	-174.3	-86.5	160	0	0	0	115.3
55	A	33.9	Very low	32.7	Very low	86 Å²	86	128.1 Å²	128.1	71%	0.711	75%	0.749	S	S	*	*			trans	-140.1	77.5	-177.4	0	0	0	0	0	112.8
56	M	31.1	Very low	31.9	Very low	201 Å²	201	126.9 Å²	126.9	99%	0.99	76%	0.758	S	S	*	*			trans	-152.6	112.7	150.1	-78.7	-156.5	78.2	0	0	109.3
57	G	26.7	Very low	31.3	Very low	74 Å²	74	126 Å²	126	76%	0.763	77%	0.768	S	S	*	*			trans	-161.2	134.8	171.5	0	0	0	0	0	111.3
58	S	28.6	Very low	30.9	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	78%	0.779	S	S	*	*			trans	79.7	104.7	166.4	87.7	0	0	0	0	121.2
59	D	27	Very low	30.3	Very low	154 Å²	154	131 Å²	131	82%	0.824	79%	0.79	S	S	*	*				32.6	132.1	113.3	-63	-30.1	0	0	0	120.8
60	S	27.4	Very low	29.8	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	79%	0.791	S	S	*	*				163.4	132.7	94.6	49.8	0	0	0	0	114.8
61	Q	26.4	Very low	30	Very low	185 Å²	185	131.6 Å²	131.6	86%	0.864	80%	0.801	S	S	*	*			trans	52.6	127.1	136.3	-67.6	-176.7	-12.5	0	0	125.7
62	S	28	Very low	29.7	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	81%	0.808	S	S	*	*			trans	-19.7	147.8	146.5	56.8	0	0	0	0	120.7
63	V	25.7	Very low	29.2	Very low	147 Å²	147	142.9 Å²	142.9	89%	0.891	82%	0.822	S	S	*	*			trans	-150	133.9	134.7	177.6	0	0	0	0	110.9
64	S	28.7	Very low	28.8	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	82%	0.82	S	S	*	*			trans	-83.9	153	169.3	52.7	0	0	0	0	112.9
65	S	27.5	Very low	28.9	Very low	129 Å²	129	141.9 Å²	141.9	90%	0.902	83%	0.826	S	S	*	*			trans	-150.7	138.4	149.2	59.4	0	0	0	0	112.7
66	S	26.1	Very low	28.7	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	84%	0.837	S	S	*	*			trans	-106.6	144.3	179.7	51.6	0	0	0	0	110.3
67	S	27.1	Very low	28.9	Very low	126 Å²	126	142.4 Å²	142.4	88%	0.881	83%	0.828	S	S	*	*			trans	-161.5	128.9	147.3	47.8	0	0	0	0	112.3
68	T	27.6	Very low	29.1	Very low	131 Å²	131	147.6 Å²	147.6	80%	0.804	84%	0.837	S	S	*	*			trans	-71.4	147.1	169.9	35	0	0	0	0	112.8
69	Q	28.3	Very low	29.1	Very low	198 Å²	198	145.3 Å²	145.3	93%	0.925	83%	0.832	S	S	*	*				-177.4	138.8	121.4	-100.1	178.3	10.3	0	0	112.2
70	D	28.6	Very low	29.8	Very low	126 Å²	126	143.7 Å²	143.7	67%	0.674	83%	0.832	S	S	*	*			trans	-113.8	150.2	173.3	-156	-8.3	0	0	0	106.9
71	P	38.8	Very low	30.1	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	83%	0.834	S	S	*	*				-146.3	144.8	116.1	33.6	-16.2	0	0	0	115.8
72	H	31.2	Very low	30.8	Very low	170 Å²	170	148 Å²	148	79%	0.787	83%	0.834	S	S	*	*			trans	-53.8	139.9	169.5	-69.2	-63.4	0	0	0	116.1
73	R	27.4	Very low	31.2	Very low	255 Å²	255	150.8 Å²	150.8	96%	0.962	84%	0.841	S	S	*	*			trans	-166.8	135.9	132.7	-131.2	175.7	-172.9	-178.3	2.2	113.7
74	G	27.4	Very low	32	Very low	77 Å²	77	150.5 Å²	150.5	79%	0.794	83%	0.833	S	S	*	*			trans	109.7	97.8	144.5	0	0	0	0	0	118
75	R	33.3	Very low	32.7	Very low	250 Å²	250	151 Å²	151	94%	0.943	83%	0.834	S	S	*	*			trans	-65.6	136.4	160.3	-82.3	176.9	173.4	173.7	-2.3	110.6
76	Q	30	Very low	33.6	Very low	200 Å²	200	154.3 Å²	154.3	94%	0.935	83%	0.832	S	S	*	*			trans	-154.9	121.5	142.9	-109.2	169.2	6.5	0	0	109.6
77	A	36	Very low	34.8	Very low	98 Å²	98	153.2 Å²	153.2	81%	0.81	83%	0.83	S	S	*	*			trans	-83.1	132.6	172.2	0	0	0	0	0	109.1
78	L	29.7	Very low	35.8	Very low	182 Å²	182	156.4 Å²	156.4	95%	0.953	83%	0.828	S	S	*	*			trans	-156.7	127.9	163	-148.9	79.4	0	0	0	111
79	G	29.5	Very low	36.8	Very low	64 Å²	64	156 Å²	156	66%	0.66	83%	0.828	S	S	*	*			trans	92.2	98.6	142.6	0	0	0	0	0	117.9	L81	G79-L81 PolarHBondContact O-N 2.81Å
80	S	41.7	Very low	38.3	Very low	119 Å²	119	154.9 Å²	154.9	83%	0.832	82%	0.823	S	S	*	*			trans	-47.5	115.5	157.2	144.4	0	0	0	0	111.6
81	L	32.9	Very low	40	Very low	158 Å²	158	152.2 Å²	152.2	83%	0.827	82%	0.818	S	S	*	*			trans	-108.9	119.2	158.9	-93.3	146.9	0	0	0	107.6	G79 D83	G79-L81 PolarHBondContact O-N 2.81Å; L81-D83 PolarHBondContact O-N 2.83Å; L81-D83 VanDerWaalsContact O-N 3.13Å
82	R	41.1	Very low	41.8	Very low	229 Å²	229	156.2 Å²	156.2	86%	0.864	82%	0.823	S	S	*	*			trans	-57.6	113.5	171.2	-70.5	174.7	178.2	178.3	-1.7	108	I84	R82-I84 PolarHBondContact O-N 3.34Å
83	D	36	Very low	44.4	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	80%	0.795	S	S	*	*			trans	-65.9	99	168.7	-81.8	-40.4	0	0	0	108.7	L81	L81-D83 PolarHBondContact O-N 2.83Å; L81-D83 VanDerWaalsContact O-N 3.13Å
84	I	44.2	Very low	47.5	Very low	141 Å²	141	146.8 Å²	146.8	72%	0.723	79%	0.79	S	S	*	*			trans	-60.2	129	160.3	-59.4	172.6	0	0	0	105.6	R82 K86	R82-I84 PolarHBondContact O-N 3.34Å; I84-K86 PolarHBondContact O-N 2.92Å
85	P	43.3	Very low	50.8	Low	121 Å²	121	144.8 Å²	144.8	79%	0.786	76%	0.762	S	S	*	*			trans	-62.2	103.2	173.4	-9.3	22.4	0	0	0	107	A87	P85-A87 PolarHBondContact O-N 2.83Å
86	K	44.6	Very low	53.9	Low	198 Å²	198	133.7 Å²	133.7	86%	0.861	72%	0.72	S	S	*	*			trans	-59.7	108	164.5	-80.1	179.9	177.1	174.3	0	105.1	I84 K88	I84-K86 PolarHBondContact O-N 2.92Å; K86-K88 PolarHBondContact O-N 2.68Å; K86-K88 VanDerWaalsContact O-N 3.09Å
87	A	51.9	Low	57.1	Low	92 Å²	92	128 Å²	128	76%	0.76	70%	0.697	S	S	*	*			trans	-45.8	122.3	167.2	0	0	0	0	0	106.9	P85	P85-A87 PolarHBondContact O-N 2.83Å
88	K	47.3	Very low	60	Low	192 Å²	192	128.5 Å²	128.5	84%	0.835	68%	0.68	S	S	*	*			trans	-50.7	132.6	172.5	-84.4	178.9	175.4	177.1	0	106.6	K86 E90	K86-K88 PolarHBondContact O-N 2.68Å; K86-K88 VanDerWaalsContact O-N 3.09Å; K88-E90 PolarHBondContact O-N 3.13Å; K88-E90 VanDerWaalsContact O-N 3.08Å
89	P	50.3	Low	63.2	Low	123 Å²	123	125 Å²	125	80%	0.799	66%	0.663	S	S	*	*			trans	-51.3	123.5	171.8	-20.8	30.6	0	0	0	107.7	A91	P89-A91 PolarHBondContact O-N 3.25Å
90	E	58.9	Low	66.4	Low	175 Å²	175	122.5 Å²	122.5	82%	0.818	64%	0.635	S	S	*	*			trans	-54.4	115	170.4	-81.5	175.9	161.8	0	0	106.8	K88 F92	K88-E90 PolarHBondContact O-N 3.13Å; K88-E90 VanDerWaalsContact O-N 3.08Å; E90-F92 PolarHBondContact O-N 3.28Å
91	A	64.1	Low	69.1	Low	70 Å²	70	117.9 Å²	117.9	58%	0.579	60%	0.602	S	S	*	*			trans	-67.6	109.5	-178.5	0	0	0	0	0	107.5	P89 F93	P89-A91 PolarHBondContact O-N 3.25Å; A91-F93 HydrophobicContact CB-CD1 3.78Å; A91-F93 HydrophobicContact CB-CE1 3.97Å; A91-F93 WeakPolarHBondContact O-CD1 3.34Å; A91-F93 WeakPolarHBondContact O-CE1 3.34Å; A91-F93 PolarHBondContact O-N 2.78Å; A91-F93 VanDerWaalsContact O-N 3.14Å
92	F	77.1	Confident	72.2	Confident	206 Å²	206	110.9 Å²	110.9	90%	0.904	57%	0.567	S	S	*	*			trans	-77.6	98.2	175.4	-113	-93.4	0	0	0	109	E90	E90-F92 PolarHBondContact O-N 3.28Å
93	F	85.2	Confident	74.9	Confident	44 Å²	44	108.3 Å²	108.3	19%	0.193	56%	0.562	C	S	.	*			trans	-127.9	142.5	172.3	57.9	-95.4	0	0	0	110.6	A91 V95 D387 E388 Y391	A91-F93 HydrophobicContact CB-CD1 3.78Å; A91-F93 HydrophobicContact CB-CE1 3.97Å; A91-F93 WeakPolarHBondContact O-CD1 3.34Å; A91-F93 WeakPolarHBondContact O-CE1 3.34Å; A91-F93 PolarHBondContact O-N 2.78Å; A91-F93 VanDerWaalsContact O-N 3.14Å; F93-V95 HydrophobicContact CD2-CG1 3.93Å; F93-V95 HydrophobicContact CE2-CG1 3.9Å; F93-D387 HydrophobicContact CE2-CB 3.58Å; F93-D387 WeakPolarHBondContact CE2-O 3.2Å; F93-D387 HydrophobicContact CZ-CB 3.9Å; F93-E388 HydrophobicContact CE1-CG 3.75Å; F93-E388 WeakPolarHBondContact CE1-OE1 3.38Å; F93-E388 HydrophobicContact CZ-CB 4.16Å; F93-E388 HydrophobicContact CZ-CG 3.51Å; F93-E388 WeakPolarHBondContact CZ-OE1 3.23Å; F93-Y391 HydrophobicContact CB-CD1 4.08Å; F93-Y391 HydrophobicContact CB-CD2 3.75Å; F93-Y391 HydrophobicContact CB-CE1 4.15Å; F93-Y391 HydrophobicContact CB-CE2 3.81Å; F93-Y391 HydrophobicContact CB-CG 3.89Å; F93-Y391 VanDerWaalsContact CD2-CB 3.42Å; F93-Y391 HydrophobicContact CD2-CD1 4.22Å; F93-Y391 AromaticContact CD2-CD2 3.96Å; F93-Y391 HydrophobicContact CD2-CD2 3.96Å; F93-Y391 AromaticContact CD2-CG 3.6Å; F93-Y391 HydrophobicContact CD2-CG 3.6Å; F93-Y391 HydrophobicContact CE2-CG 4.41Å; F93-Y391 HydrophobicContact CG-CD1 4.1Å; F93-Y391 HydrophobicContact CG-CD2 4.19Å; F93-Y391 AromaticContact CG-CG 3.88Å; F93-Y391 HydrophobicContact CG-CG 3.88Å
94	Q	92.8	Very high	77.8	Confident	183 Å²	183	105.2 Å²	105.2	86%	0.855	55%	0.545	S	S	*	.			trans	-90.1	124.1	-177.6	-69.4	-174.4	-4.9	0	0	110.6
95	V	97.4	Very high	80.3	Confident	35 Å²	35	99.1 Å²	99.1	21%	0.212	51%	0.514	C	S	.	.			trans	-112.6	-179.8	169.1	-62.6	0	0	0	0	110.5	F93 N97 D387 I390	F93-V95 HydrophobicContact CD2-CG1 3.93Å; F93-V95 HydrophobicContact CE2-CG1 3.9Å; V95-N97 PolarHBondContact O-N 2.96Å; V95-D387 HydrophobicContact CG1-CB 4.04Å; V95-D387 VanDerWaalsContact CG1-O 3.28Å; V95-D387 WeakPolarHBondContact CG1-O 3.4Å; V95-D387 HydrophobicContact CG2-CB 4.08Å; V95-I390 HydrophobicContact CB-CB 4.38Å; V95-I390 HydrophobicContact CB-CG2 4.02Å; V95-I390 HydrophobicContact CG1-CB 3.98Å; V95-I390 HydrophobicContact CG1-CG2 3.98Å
96	W	98.2	Very high	82.9	Confident	17 Å²	17	97.3 Å²	97.3	6%	0.064	50%	0.497	C	S	.	.			trans	-55.9	128.8	178.3	-169	-91.9	0	0	0	111.8	L344 P345 M366 L373 K376 N377 K380	W96-L344 HydrophobicContact CB-CD2 4.15Å; W96-L344 HydrophobicContact CG-CD2 4.05Å; W96-P345 HydrophobicContact CE3-CG 4.02Å; W96-P345 HydrophobicContact CZ3-CG 4.34Å; W96-M366 HydrophobicContact CH2-CE 3.74Å; W96-M366 HydrophobicContact CH2-SD 4.01Å; W96-M366 HydrophobicContact CZ3-CE 4.08Å; W96-M366 HydrophobicContact CZ3-SD 3.91Å; W96-L373 HydrophobicContact CH2-CD1 3.68Å; W96-L373 HydrophobicContact CZ2-CD1 3.51Å; W96-L373 HydrophobicContact CZ2-CG 4.27Å; W96-K376 HydrophobicContact CD2-CB 3.89Å; W96-K376 HydrophobicContact CD2-CD 4.26Å; W96-K376 HydrophobicContact CE3-CB 4.47Å; W96-K376 HydrophobicContact CE3-CD 4Å; W96-K376 HydrophobicContact CG-CB 4.39Å; W96-K376 HydrophobicContact CH2-CB 4.06Å; W96-K376 HydrophobicContact CH2-CD 3.44Å; W96-K376 VanDerWaalsContact CH2-CD 3.44Å; W96-K376 HydrophobicContact CH2-CG 4.38Å; W96-K376 HydrophobicContact CZ2-CB 3.43Å; W96-K376 VanDerWaalsContact CZ2-CB 3.43Å; W96-K376 HydrophobicContact CZ2-CD 3.76Å; W96-K376 HydrophobicContact CZ2-CG 4.21Å; W96-K376 HydrophobicContact CZ3-CD 3.58Å; W96-N377 PolarHBondContact NE1-OD1 3.3Å; W96-K380 HydrophobicContact CB-CD 4.45Å; W96-K380 HydrophobicContact CB-CG 4.43Å; W96-K380 WeakPolarHBondContact O-CE 3.43Å; W96-K380 WeakPolarHBondContact O-CG 3.3Å
97	N	97.9	Very high	85.4	Confident	82 Å²	82	92.8 Å²	92.8	44%	0.439	49%	0.488	S	S	.	.			trans	-81	116.3	173	176.7	12.7	0	0	0	109.7	V95 D99 S100 N377	V95-N97 PolarHBondContact O-N 2.96Å; N97-D99 PolarHBondContact O-N 3.05Å; N97-D99 PolarHBondContact OD1-N 3.46Å; N97-S100 WeakPolarHBondContact O-CB 3.24Å; N97-S100 PolarHBondContact O-N 2.94Å; N97-S100 PolarHBondContact O-OG 2.77Å; N97-N377 PolarHBondContact O-OD1 3.04Å; N97-N377 VanDerWaalsContact O-OD1 3.14Å
98	K	96.3	Very high	87.6	Confident	107 Å²	107	95 Å²	95	47%	0.465	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.7	179.8	69.6	-178.1	-178.1	-176.5	0	114.3	N377 K380	K98-N377 WeakPolarHBondContact O-CB 3.25Å; K98-N377 PolarHBondContact O-ND2 3.41Å; K98-N377 PolarHBondContact O-OD1 3Å; K98-K380 HydrophobicContact CB-CB 4.29Å; K98-K380 HydrophobicContact CB-CG 3.89Å
99	D	96.6	Very high	90.1	Very high	110 Å²	110	86 Å²	86	59%	0.588	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	23	-179.7	-57	-55	0	0	0	111.8	N97	N97-D99 PolarHBondContact O-N 3.05Å; N97-D99 PolarHBondContact OD1-N 3.46Å
100	S	97.5	Very high	92.4	Very high	11 Å²	11	82.8 Å²	82.8	8%	0.077	41%	0.412	C	S	.	.			trans	-63.5	137.2	179.1	-61.7	0	0	0	0	111.4	N97 N377	N97-S100 WeakPolarHBondContact O-CB 3.24Å; N97-S100 PolarHBondContact O-N 2.94Å; N97-S100 PolarHBondContact O-OG 2.77Å; S100-N377 WeakPolarHBondContact CB-OD1 3.48Å; S100-N377 PolarHBondContact O-ND2 3.01Å
101	S	98	Very high	94.2	Very high	21 Å²	21	81.3 Å²	81.3	15%	0.147	40%	0.403	C	S	.	.			trans	-129.7	172.5	-178.6	65.3	0	0	0	0	110.9	K103 N104 E314	S101-K103 PolarHBondContact O-N 3.32Å; S101-K103 VanDerWaalsContact O-N 3.13Å; S101-K103 PolarHBondContact OG-N 3.32Å; S101-N104 PolarHBondContact N-OD1 3.17Å; S101-N104 WeakPolarHBondContact O-CB 3.23Å; S101-N104 PolarHBondContact O-N 2.98Å; S101-N104 PolarHBondContact O-OD1 3.06Å; S101-N104 PolarHBondContact OG-OD1 3.14Å; S101-E314 VanDerWaalsContact CA-OE1 3.29Å; S101-E314 WeakPolarHBondContact CA-OE1 3.33Å; S101-E314 WeakPolarHBondContact CB-OE1 3.45Å
102	S	97.3	Very high	95.9	Very high	11 Å²	11	79.8 Å²	79.8	8%	0.077	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-51.6	-33.4	171.1	72.8	0	0	0	0	111.8	N104 L105 Q110 E314	S102-N104 PolarHBondContact O-N 2.83Å; S102-L105 WeakPolarHBondContact O-CB 3.23Å; S102-L105 PolarHBondContact O-N 2.87Å; S102-Q110 WeakPolarHBondContact O-CG 3.3Å; S102-Q110 PolarHBondContact O-NE2 3.19Å; S102-E314 WeakPolarHBondContact CB-OE1 3.43Å; S102-E314 WeakPolarHBondContact CB-OE2 3.43Å; S102-E314 PolarHBondContact N-OE1 3.47Å; S102-E314 PolarHBondContact OG-OE1 3.37Å; S102-E314 PolarHBondContact OG-OE2 3.41Å
103	K	97.3	Very high	96.9	Very high	175 Å²	175	71.3 Å²	71.3	76%	0.761	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-64.3	-23.6	176.4	-63	180	-178.3	173.3	0	113.3	S101 Q110	S101-K103 PolarHBondContact O-N 3.32Å; S101-K103 VanDerWaalsContact O-N 3.13Å; S101-K103 PolarHBondContact OG-N 3.32Å; K103-Q110 PolarHBondContact O-NE2 3.27Å
104	N	97.3	Very high	97.5	Very high	95 Å²	95	75.1 Å²	75.1	51%	0.508	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-86.5	-8.9	176.4	-53.1	105.1	0	0	0	113.1	S101 S102	S101-N104 PolarHBondContact N-OD1 3.17Å; S101-N104 WeakPolarHBondContact O-CB 3.23Å; S101-N104 PolarHBondContact O-N 2.98Å; S101-N104 PolarHBondContact O-OD1 3.06Å; S101-N104 PolarHBondContact OG-OD1 3.14Å; S102-N104 PolarHBondContact O-N 2.83Å
105	L	97.2	Very high	97.8	Very high	13 Å²	13	70.2 Å²	70.2	7%	0.068	34%	0.343	C	S	.	.	S	Bend	trans	-78.7	154	177	-65.9	175.9	0	0	0	112	S102 L109 Q110 M366 L373	S102-L105 WeakPolarHBondContact O-CB 3.23Å; S102-L105 PolarHBondContact O-N 2.87Å; L105-L109 HydrophobicContact CB-CB 4.16Å; L105-L109 HydrophobicContact CD1-CB 4.29Å; L105-L109 HydrophobicContact CD2-CD1 4.31Å; L105-Q110 HydrophobicContact CB-CG 3.87Å; L105-Q110 PolarHBondContact O-NE2 3.43Å; L105-M366 HydrophobicContact CD2-CB 3.98Å; L105-M366 HydrophobicContact CD2-CE 4.09Å; L105-L373 HydrophobicContact CD1-CD2 4.41Å; L105-L373 HydrophobicContact CD2-CD1 4.03Å; L105-L373 HydrophobicContact CD2-CD2 4.29Å; L105-L373 HydrophobicContact CG-CD2 4.23Å
106	I	97.7	Very high	97.9	Very high	84 Å²	84	71.3 Å²	71.3	43%	0.431	34%	0.343	S	S	.	.			trans	-63.1	150.4	169.6	63.5	172.7	0	0	0	110.8	R108 L109 Q110	I106-R108 HydrophobicContact CD1-CB 4.29Å; I106-R108 HydrophobicContact CG1-CB 4.44Å; I106-R108 PolarHBondContact O-N 3.09Å; I106-L109 HydrophobicContact CD1-CD1 4.27Å; I106-L109 HydrophobicContact CD1-CG 4.01Å; I106-L109 HydrophobicContact CG1-CB 4Å; I106-L109 HydrophobicContact CG1-CD1 3.92Å; I106-L109 HydrophobicContact CG1-CG 3.62Å; I106-L109 PolarHBondContact O-N 3.23Å; I106-Q110 PolarHBondContact O-N 3.47Å
107	P	98.3	Very high	97.9	Very high	103 Å²	103	72.3 Å²	72.3	67%	0.669	35%	0.35	S	S	*	.	H	α-helix	trans	-54.2	-35.4	-175.4	-29.7	35.7	0	0	0	114.6	L109 Q110 K111	P107-L109 PolarHBondContact O-N 2.71Å; P107-Q110 PolarHBondContact O-N 3.31Å; P107-K111 PolarHBondContact O-N 3.13Å; P107-K111 VanDerWaalsContact O-N 3.08Å
108	R	98.1	Very high	97.9	Very high	138 Å²	138	73.6 Å²	73.6	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-47.9	174.2	176.1	-177.8	160.9	-149.9	-15	111.5	I106 K111 I112 D361	I106-R108 HydrophobicContact CD1-CB 4.29Å; I106-R108 HydrophobicContact CG1-CB 4.44Å; I106-R108 PolarHBondContact O-N 3.09Å; R108-K111 PolarHBondContact O-N 2.76Å; R108-I112 HydrophobicContact CG-CD1 4.21Å; R108-I112 WeakPolarHBondContact O-CG1 3.36Å; R108-I112 PolarHBondContact O-N 2.91Å; R108-I112 VanDerWaalsContact O-N 3.16Å; R108-D361 IonicContact CZ-OD1 3.53Å; R108-D361 IonicContact NH1-OD1 2.63Å; R108-D361 IonicContact NH2-OD1 3.03Å; R108-D361 PolarHBondContact NH2-OD1 3.17Å; R108-D361 IonicContact NH2-OD2 2.87Å
109	L	98.1	Very high	98	Very high	4 Å²	4	73.9 Å²	73.9	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-75.2	-32.8	-177.6	-64.4	-175.9	0	0	0	111.9	L105 I106 P107 K111 I112 W113 A363 M366	L105-L109 HydrophobicContact CB-CB 4.16Å; L105-L109 HydrophobicContact CD1-CB 4.29Å; L105-L109 HydrophobicContact CD2-CD1 4.31Å; I106-L109 HydrophobicContact CD1-CD1 4.27Å; I106-L109 HydrophobicContact CD1-CG 4.01Å; I106-L109 HydrophobicContact CG1-CB 4Å; I106-L109 HydrophobicContact CG1-CD1 3.92Å; I106-L109 HydrophobicContact CG1-CG 3.62Å; I106-L109 PolarHBondContact O-N 3.23Å; P107-L109 PolarHBondContact O-N 2.71Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 2.76Å; L109-I112 HydrophobicContact CD2-CD1 4.11Å; L109-I112 PolarHBondContact O-N 3.27Å; L109-I112 VanDerWaalsContact O-N 3.16Å; L109-W113 PolarHBondContact O-N 2.91Å; L109-A363 HydrophobicContact CD2-CB 3.87Å; L109-M366 HydrophobicContact CD1-CB 3.66Å; L109-M366 HydrophobicContact CD1-CG 4.36Å
110	Q	98.4	Very high	98.1	Very high	55 Å²	55	71.3 Å²	71.3	26%	0.257	36%	0.356	S	S	.	.	H	α-helix	trans	-57.7	-44.3	170.4	-69.6	179	-11.5	0	0	111.8	S102 K103 L105 I106 P107 I112 W113 K114	S102-Q110 WeakPolarHBondContact O-CG 3.3Å; S102-Q110 PolarHBondContact O-NE2 3.19Å; K103-Q110 PolarHBondContact O-NE2 3.27Å; L105-Q110 HydrophobicContact CB-CG 3.87Å; L105-Q110 PolarHBondContact O-NE2 3.43Å; I106-Q110 PolarHBondContact O-N 3.47Å; P107-Q110 PolarHBondContact O-N 3.31Å; Q110-I112 VanDerWaalsContact C-N 3.34Å; Q110-W113 PolarHBondContact O-N 3.47Å; Q110-K114 WeakPolarHBondContact O-CG 3.47Å; Q110-K114 PolarHBondContact O-N 3.24Å
111	K	98.4	Very high	98.1	Very high	143 Å²	143	75.9 Å²	75.9	62%	0.622	38%	0.375	S	S	*	.	H	α-helix	trans	-63.9	-40.7	175.7	-172.8	176	-177.4	176.7	0	111.7	P107 R108 L109 K114 N115	P107-K111 PolarHBondContact O-N 3.13Å; P107-K111 VanDerWaalsContact O-N 3.08Å; R108-K111 PolarHBondContact O-N 2.76Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 2.76Å; K111-K114 PolarHBondContact O-N 3.38Å; K111-N115 WeakPolarHBondContact O-CB 3.25Å; K111-N115 PolarHBondContact O-N 3.33Å; K111-N115 PolarHBondContact O-ND2 3.25Å; K111-N115 PolarHBondContact O-OD1 3.14Å
112	I	98.4	Very high	98.2	Very high	39 Å²	39	75.2 Å²	75.2	20%	0.2	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-45	177.5	-71.5	171.1	0	0	0	111.2	R108 L109 Q110 K114 N115 Y116 A368	R108-I112 HydrophobicContact CG-CD1 4.21Å; R108-I112 WeakPolarHBondContact O-CG1 3.36Å; R108-I112 PolarHBondContact O-N 2.91Å; R108-I112 VanDerWaalsContact O-N 3.16Å; L109-I112 HydrophobicContact CD2-CD1 4.11Å; L109-I112 PolarHBondContact O-N 3.27Å; L109-I112 VanDerWaalsContact O-N 3.16Å; Q110-I112 VanDerWaalsContact C-N 3.34Å; I112-K114 PolarHBondContact O-N 3.24Å; I112-N115 WeakPolarHBondContact O-CB 3.3Å; I112-N115 PolarHBondContact O-N 3.46Å; I112-Y116 HydrophobicContact CG2-CD2 3.67Å; I112-Y116 HydrophobicContact CG2-CE2 3.51Å; I112-Y116 VanDerWaalsContact O-CD2 3.31Å; I112-Y116 WeakPolarHBondContact O-CD2 3.31Å; I112-Y116 PolarHBondContact O-N 3.39Å; I112-A368 HydrophobicContact CG2-CB 3.82Å
113	W	98.5	Very high	98.2	Very high	27 Å²	27	82 Å²	82	10%	0.102	40%	0.397	C	S	.	.	H	α-helix	trans	-56.7	-49.6	174.6	164.7	78.2	0	0	0	111.6	L109 Q110 N115 Y116 L117 E314 E315	L109-W113 PolarHBondContact O-N 2.91Å; Q110-W113 PolarHBondContact O-N 3.47Å; W113-N115 VanDerWaalsContact C-N 3.3Å; W113-N115 PolarHBondContact O-N 3.19Å; W113-Y116 PolarHBondContact O-N 3.44Å; W113-L117 HydrophobicContact CD2-CD1 3.91Å; W113-L117 HydrophobicContact CE3-CD1 4.38Å; W113-L117 HydrophobicContact CH2-CD1 3.85Å; W113-L117 HydrophobicContact CZ2-CD1 3.33Å; W113-L117 HydrophobicContact CZ3-CD1 4.35Å; W113-L117 PolarHBondContact O-N 3.4Å; W113-E314 HydrophobicContact CZ2-CG 4.38Å; W113-E315 VanDerWaalsContact CZ2-O 3.25Å; W113-E315 WeakPolarHBondContact CZ2-O 3.49Å; W113-E315 PolarHBondContact NE1-O 2.87Å
114	K	98.5	Very high	98.3	Very high	124 Å²	124	74.3 Å²	74.3	54%	0.539	36%	0.364	S	S	.	.	H	α-helix	trans	-58.5	-39.5	174.9	-70	179.5	-177.3	179.1	0	112.9	Q110 K111 I112 L117 S118	Q110-K114 WeakPolarHBondContact O-CG 3.47Å; Q110-K114 PolarHBondContact O-N 3.24Å; K111-K114 PolarHBondContact O-N 3.38Å; I112-K114 PolarHBondContact O-N 3.24Å; K114-L117 PolarHBondContact O-N 2.87Å; K114-S118 PolarHBondContact O-N 3.07Å
115	N	98.6	Very high	98.3	Very high	81 Å²	81	72.8 Å²	72.8	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-42.1	178.4	-68.8	-14.1	0	0	0	111.4	K111 I112 W113 S118 M119	K111-N115 WeakPolarHBondContact O-CB 3.25Å; K111-N115 PolarHBondContact O-N 3.33Å; K111-N115 PolarHBondContact O-ND2 3.25Å; K111-N115 PolarHBondContact O-OD1 3.14Å; I112-N115 WeakPolarHBondContact O-CB 3.3Å; I112-N115 PolarHBondContact O-N 3.46Å; W113-N115 VanDerWaalsContact C-N 3.3Å; W113-N115 PolarHBondContact O-N 3.19Å; N115-S118 PolarHBondContact O-N 3.05Å; N115-M119 VanDerWaalsContact O-CG 3.3Å; N115-M119 WeakPolarHBondContact O-CG 3.33Å; N115-M119 PolarHBondContact O-N 3.5Å
116	Y	98.6	Very high	98.3	Very high	57 Å²	57	74.4 Å²	74.4	22%	0.224	37%	0.367	C	S	.	.	H	α-helix	trans	-65.9	-40.8	176.9	-80.7	-66	0	0	0	112.4	I112 W113 S118 M119 N120 P318 N319 A368 Y369	I112-Y116 HydrophobicContact CG2-CD2 3.67Å; I112-Y116 HydrophobicContact CG2-CE2 3.51Å; I112-Y116 VanDerWaalsContact O-CD2 3.31Å; I112-Y116 WeakPolarHBondContact O-CD2 3.31Å; I112-Y116 PolarHBondContact O-N 3.39Å; W113-Y116 PolarHBondContact O-N 3.44Å; Y116-S118 VanDerWaalsContact C-N 3.33Å; Y116-S118 PolarHBondContact O-N 3.2Å; Y116-M119 HydrophobicContact CD1-CE 3.13Å; Y116-M119 HydrophobicContact CE1-CE 3.35Å; Y116-M119 HydrophobicContact CG-CE 3.89Å; Y116-M119 PolarHBondContact O-N 3.17Å; Y116-N120 PolarHBondContact O-N 3.15Å; Y116-N120 VanDerWaalsContact O-N 3.1Å; Y116-P318 VanDerWaalsContact O-CG 3.29Å; Y116-P318 WeakPolarHBondContact O-CG 3.38Å; Y116-N319 WeakPolarHBondContact CD1-ND2 3.11Å; Y116-A368 WeakPolarHBondContact CD2-O 3.47Å; Y116-A368 WeakPolarHBondContact CE2-O 3.17Å; Y116-Y369 AromaticContact CE1-CD2 3.73Å; Y116-Y369 HydrophobicContact CE1-CD2 3.73Å; Y116-Y369 HydrophobicContact CE1-CG 4.4Å
117	L	98.3	Very high	98.2	Very high	38 Å²	38	78.7 Å²	78.7	20%	0.199	38%	0.382	C	S	.	.	H	α-helix	trans	-54.6	-49.5	170.4	-78.1	169.8	0	0	0	111.6	W113 K114 M119 N120 E315 I316	W113-L117 HydrophobicContact CD2-CD1 3.91Å; W113-L117 HydrophobicContact CE3-CD1 4.38Å; W113-L117 HydrophobicContact CH2-CD1 3.85Å; W113-L117 HydrophobicContact CZ2-CD1 3.33Å; W113-L117 HydrophobicContact CZ3-CD1 4.35Å; W113-L117 PolarHBondContact O-N 3.4Å; K114-L117 PolarHBondContact O-N 2.87Å; L117-M119 VanDerWaalsContact C-N 3.34Å; L117-M119 PolarHBondContact O-N 2.95Å; L117-N120 PolarHBondContact O-N 2.94Å; L117-E315 HydrophobicContact CD1-CB 4.35Å; L117-E315 HydrophobicContact CD2-CB 3.72Å; L117-I316 VanDerWaalsContact CD2-O 3.29Å; L117-I316 WeakPolarHBondContact CD2-O 3.49Å
118	S	98.4	Very high	97.9	Very high	109 Å²	109	75.5 Å²	75.5	76%	0.762	37%	0.369	S	S	*	.	H	α-helix	trans	-66.1	-33.6	-179.9	179.7	0	0	0	0	113.6	K114 N115 Y116	K114-S118 PolarHBondContact O-N 3.07Å; N115-S118 PolarHBondContact O-N 3.05Å; Y116-S118 VanDerWaalsContact C-N 3.33Å; Y116-S118 PolarHBondContact O-N 3.2Å
119	M	98.4	Very high	97.5	Very high	113 Å²	113	72 Å²	72	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-73.5	-37.3	-178.9	-76.3	-173.1	-51.5	0	0	112.3	N115 Y116 L117 K121	N115-M119 VanDerWaalsContact O-CG 3.3Å; N115-M119 WeakPolarHBondContact O-CG 3.33Å; N115-M119 PolarHBondContact O-N 3.5Å; Y116-M119 HydrophobicContact CD1-CE 3.13Å; Y116-M119 HydrophobicContact CE1-CE 3.35Å; Y116-M119 HydrophobicContact CG-CE 3.89Å; Y116-M119 PolarHBondContact O-N 3.17Å; L117-M119 VanDerWaalsContact C-N 3.34Å; L117-M119 PolarHBondContact O-N 2.95Å; M119-K121 PolarHBondContact O-N 3.17Å; M119-K121 VanDerWaalsContact O-N 3.1Å
120	N	98.5	Very high	96.6	Very high	56 Å²	56	74.2 Å²	74.2	30%	0.299	39%	0.387	S	S	.	.			trans	38.6	53.4	-178.9	-166.1	0.6	0	0	0	113.3	Y116 L117 Y122 K123 V124 P318	Y116-N120 PolarHBondContact O-N 3.15Å; Y116-N120 VanDerWaalsContact O-N 3.1Å; L117-N120 PolarHBondContact O-N 2.94Å; N120-Y122 PolarHBondContact O-N 3.02Å; N120-Y122 VanDerWaalsContact O-N 3.08Å; N120-K123 PolarHBondContact O-N 2.79Å; N120-K123 PolarHBondContact OD1-N 3.15Å; N120-V124 PolarHBondContact ND2-O 3.39Å; N120-V124 PolarHBondContact OD1-N 2.88Å; N120-P318 HydrophobicContact CB-CG 4.28Å
121	K	98.6	Very high	96.1	Very high	108 Å²	108	74.9 Å²	74.9	47%	0.47	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-37.5	-170.1	178.6	-178	170.5	-166.4	0	112.4	M119 D274	M119-K121 PolarHBondContact O-N 3.17Å; M119-K121 VanDerWaalsContact O-N 3.1Å; K121-D274 WeakPolarHBondContact CE-OD1 3.2Å; K121-D274 IonicContact NZ-OD1 2.84Å; K121-D274 PolarHBondContact NZ-OD1 3.23Å; K121-D274 IonicContact NZ-OD2 2.54Å; K121-D274 PolarHBondContact NZ-OD2 3.26Å
122	Y	98.6	Very high	95.7	Very high	7 Å²	7	69.7 Å²	69.7	3%	0.027	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	10.7	-174.5	-56.8	-76.7	0	0	0	113.8	N120 V124 P259 S260 Y262 D274 W302 Y369	N120-Y122 PolarHBondContact O-N 3.02Å; N120-Y122 VanDerWaalsContact O-N 3.08Å; Y122-V124 VanDerWaalsContact C-N 3.26Å; Y122-V124 PolarHBondContact O-N 3Å; Y122-P259 HydrophobicContact CD1-CB 4.28Å; Y122-P259 HydrophobicContact CE1-CB 3.49Å; Y122-P259 VanDerWaalsContact CE1-CB 3.49Å; Y122-S260 VanDerWaalsContact CD1-O 3.24Å; Y122-S260 WeakPolarHBondContact CD1-O 3.32Å; Y122-Y262 WeakPolarHBondContact O-CB 3.36Å; Y122-Y262 PolarHBondContact O-N 3.41Å; Y122-D274 PolarHBondContact OH-OD2 3.42Å; Y122-W302 HydrophobicContact CD1-CZ2 4.21Å; Y122-W302 AromaticContact CD2-CH2 3.97Å; Y122-W302 HydrophobicContact CD2-CH2 3.97Å; Y122-W302 HydrophobicContact CD2-CZ2 4.15Å; Y122-W302 AromaticContact CG-CH2 3.89Å; Y122-W302 HydrophobicContact CG-CH2 3.89Å; Y122-W302 AromaticContact CG-CZ2 3.69Å; Y122-W302 HydrophobicContact CG-CZ2 3.69Å; Y122-Y369 HydrophobicContact CE2-CE2 4.36Å; Y122-Y369 AromaticContact CE2-CZ 3.98Å; Y122-Y369 WeakPolarHBondContact CE2-OH 3.47Å; Y122-Y369 PolarHBondContact OH-OH 3.44Å
123	K	98.6	Very high	95.5	Very high	152 Å²	152	70.8 Å²	70.8	66%	0.661	39%	0.389	S	S	*	.			trans	57.6	38.4	176.9	-51.4	174.7	-177.4	174.3	0	112.8	N120 S125 V261	N120-K123 PolarHBondContact O-N 2.79Å; N120-K123 PolarHBondContact OD1-N 3.15Å; K123-S125 PolarHBondContact O-N 2.96Å; K123-V261 HydrophobicContact CB-CG1 4.41Å; K123-V261 HydrophobicContact CD-CG1 4.33Å
124	V	98.6	Very high	95.3	Very high	14 Å²	14	79.1 Å²	79.1	9%	0.085	43%	0.426	C	S	.	.			trans	-61.9	130.1	176.4	-179.5	0	0	0	0	109.2	N120 Y122 Y262 W302 W305 P318	N120-V124 PolarHBondContact ND2-O 3.39Å; N120-V124 PolarHBondContact OD1-N 2.88Å; Y122-V124 VanDerWaalsContact C-N 3.26Å; Y122-V124 PolarHBondContact O-N 3Å; V124-Y262 HydrophobicContact CB-CD2 4.44Å; V124-Y262 HydrophobicContact CB-CG 4.27Å; V124-Y262 HydrophobicContact CG1-CD2 4.1Å; V124-Y262 HydrophobicContact CG1-CE2 4.17Å; V124-Y262 HydrophobicContact CG1-CG 4.26Å; V124-Y262 HydrophobicContact CG2-CD2 4.08Å; V124-Y262 HydrophobicContact CG2-CG 4.1Å; V124-W302 HydrophobicContact CG2-CE3 4.46Å; V124-W302 HydrophobicContact CG2-CH2 3.78Å; V124-W302 HydrophobicContact CG2-CZ3 3.63Å; V124-W305 HydrophobicContact CG1-CE3 4.27Å; V124-W305 HydrophobicContact CG1-CH2 3.4Å; V124-W305 HydrophobicContact CG1-CZ2 3.9Å; V124-W305 HydrophobicContact CG1-CZ3 3.59Å; V124-P318 HydrophobicContact CB-CB 3.75Å; V124-P318 HydrophobicContact CG1-CB 4.37Å; V124-P318 HydrophobicContact CG2-CB 3.71Å; V124-P318 WeakPolarHBondContact CG2-O 3.37Å
125	S	97.8	Very high	95.3	Very high	64 Å²	64	75.5 Å²	75.5	45%	0.448	41%	0.41	S	S	.	.			trans	-139.4	85.6	174	-173.6	0	0	0	0	106.6	K123 K127	K123-S125 PolarHBondContact O-N 2.96Å; S125-K127 PolarHBondContact O-N 2.02Å; S125-K127 VanDerWaalsContact OG-CE 3.29Å; S125-K127 WeakPolarHBondContact OG-CE 3.23Å
126	Y	97.5	Very high	95.2	Very high	47 Å²	47	75 Å²	75	18%	0.184	41%	0.413	C	S	.	.			trans	-67.5	126.3	-175.7	-177.6	-111.4	0	0	0	110.3	P129 W305 D306 Q309 E310	Y126-P129 WeakPolarHBondContact CE1-O 3.27Å; Y126-P129 PolarHBondContact OH-O 2.88Å; Y126-W305 AromaticContact CD2-CZ3 3.72Å; Y126-W305 HydrophobicContact CD2-CZ3 3.72Å; Y126-W305 HydrophobicContact CG-CH2 4.48Å; Y126-W305 HydrophobicContact CG-CZ3 4.06Å; Y126-D306 HydrophobicContact CE2-CB 4.2Å; Y126-Q309 HydrophobicContact CD1-CG 3.6Å; Y126-Q309 HydrophobicContact CD2-CB 4.27Å; Y126-Q309 HydrophobicContact CD2-CG 4.01Å; Y126-Q309 HydrophobicContact CE1-CG 3.77Å; Y126-Q309 HydrophobicContact CE2-CB 4.18Å; Y126-Q309 HydrophobicContact CE2-CG 4.17Å; Y126-Q309 HydrophobicContact CG-CB 4.47Å; Y126-Q309 HydrophobicContact CG-CG 3.72Å; Y126-E310 WeakPolarHBondContact OH-CB 3.41Å
127	K	95.2	Very high	95.2	Very high	173 Å²	173	73.6 Å²	73.6	75%	0.752	41%	0.413	S	S	*	.			trans	-123.9	7.1	-179.9	-59.3	-59.9	174	-161.6	0	112.6	S125	S125-K127 PolarHBondContact O-N 2.02Å; S125-K127 VanDerWaalsContact OG-CE 3.29Å; S125-K127 WeakPolarHBondContact OG-CE 3.23Å
128	G	93.1	Very high	95.2	Very high	37 Å²	37	78.5 Å²	78.5	38%	0.381	44%	0.435	S	S	.	.	S	Bend	trans	-72	-174.2	175.5	0	0	0	0	0	112.3
129	P	89.2	Confident	95.2	Very high	64 Å²	64	75.3 Å²	75.3	42%	0.416	42%	0.416	S	S	.	.	S	Bend	trans	-55	144.7	175	-22.8	34.5	0	0	0	111.6	Y126 I133 E310	Y126-P129 WeakPolarHBondContact CE1-O 3.27Å; Y126-P129 PolarHBondContact OH-O 2.88Å; P129-I133 HydrophobicContact CB-CD1 3.31Å; P129-I133 HydrophobicContact CG-CD1 4.31Å; P129-E310 HydrophobicContact CB-CG 4.19Å; P129-E310 HydrophobicContact CG-CG 4.47Å
130	G	79.3	Confident	95.2	Very high	50 Å²	50	70.1 Å²	70.1	52%	0.515	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-56.6	149.5	-174.2	0	0	0	0	0	113.3	I133	G130-I133 WeakPolarHBondContact O-CG1 3.32Å
131	P	86.3	Confident	95.2	Very high	70 Å²	70	68.4 Å²	68.4	46%	0.455	38%	0.379	S	S	.	.	S	Bend	trans	-60.5	142.2	-175.3	25	-34.2	0	0	0	112.4	S312	P131-S312 CarbonylContact C-O 3.4Å; P131-S312 VanDerWaalsContact CB-O 3.23Å; P131-S312 WeakPolarHBondContact CB-O 3.49Å
132	G	90.4	Very high	95.2	Very high	33 Å²	33	64.1 Å²	64.1	34%	0.34	36%	0.363	S	S	.	.			trans	101.7	21.9	172.3	0	0	0	0	0	114.7	K134 E310 S312	G132-K134 PolarHBondContact O-N 3.18Å; G132-E310 PolarHBondContact N-O 2.83Å; G132-S312 WeakPolarHBondContact CA-O 3.49Å; G132-S312 PolarHBondContact N-O 2.89Å
133	I	94.7	Very high	95.2	Very high	62 Å²	62	65.5 Å²	65.5	32%	0.318	37%	0.369	S	S	.	.			trans	-67.1	132.6	175.1	-60.6	-166.5	0	0	0	110.1	P129 G130 F135 E310	P129-I133 HydrophobicContact CB-CD1 3.31Å; P129-I133 HydrophobicContact CG-CD1 4.31Å; G130-I133 WeakPolarHBondContact O-CG1 3.32Å; I133-F135 HydrophobicContact CB-CD2 4.49Å; I133-F135 HydrophobicContact CB-CE2 3.97Å; I133-F135 HydrophobicContact CG2-CD2 3.86Å; I133-F135 HydrophobicContact CG2-CE2 3.38Å; I133-F135 HydrophobicContact CG2-CZ 3.88Å; I133-E310 HydrophobicContact CB-CG 4.1Å; I133-E310 HydrophobicContact CD1-CG 3.88Å; I133-E310 WeakPolarHBondContact CD1-OE1 3.39Å; I133-E310 HydrophobicContact CG1-CG 4.09Å; I133-E310 PolarHBondContact N-O 3.37Å
134	K	95.3	Very high	95.2	Very high	202 Å²	202	58.2 Å²	58.2	88%	0.878	34%	0.338	S	S	*	.			trans	-97.5	115.7	178.9	-65.4	-174.1	179	-177.9	0	110	G132	G132-K134 PolarHBondContact O-N 3.18Å
135	F	96.8	Very high	95.2	Very high	49 Å²	49	61.5 Å²	61.5	22%	0.215	35%	0.349	C	S	.	.			trans	-101	153	169.6	-68.9	-94.8	0	0	0	110.6	I133 A139 L140 H143 E310 I311 H381	I133-F135 HydrophobicContact CB-CD2 4.49Å; I133-F135 HydrophobicContact CB-CE2 3.97Å; I133-F135 HydrophobicContact CG2-CD2 3.86Å; I133-F135 HydrophobicContact CG2-CE2 3.38Å; I133-F135 HydrophobicContact CG2-CZ 3.88Å; F135-A139 HydrophobicContact CD1-CB 4.19Å; F135-L140 HydrophobicContact CB-CB 3.7Å; F135-L140 HydrophobicContact CB-CD1 4.28Å; F135-L140 HydrophobicContact CB-CD2 4.46Å; F135-L140 HydrophobicContact CB-CG 4.37Å; F135-L140 HydrophobicContact CD2-CD1 4.1Å; F135-L140 HydrophobicContact CG-CB 4.31Å; F135-L140 HydrophobicContact CG-CD1 4.11Å; F135-H143 HydrophobicContact CE1-CB 4.48Å; F135-E310 HydrophobicContact CE2-CG 4.47Å; F135-I311 HydrophobicContact CD2-CG2 3.79Å; F135-I311 HydrophobicContact CE2-CG2 4.02Å; F135-H381 PolarHBondContact O-CE1 3.26Å; F135-H381 VanDerWaalsContact O-CE1 3.26Å; F135-H381 PolarHBondContact O-NE2 3.26Å
136	S	97.9	Very high	95.2	Very high	71 Å²	71	63 Å²	63	50%	0.497	35%	0.352	S	S	.	.			trans	-70.9	157.2	157.1	71.6	0	0	0	0	109.1	E138 A139 L140	S136-E138 PolarHBondContact O-N 3.16Å; S136-A139 PolarHBondContact O-N 3.05Å; S136-A139 VanDerWaalsContact OG-CB 3.3Å; S136-A139 WeakPolarHBondContact OG-CB 3.47Å; S136-A139 PolarHBondContact OG-N 2.93Å; S136-A139 VanDerWaalsContact OG-N 3.13Å; S136-L140 WeakPolarHBondContact O-CB 3.27Å; S136-L140 PolarHBondContact O-N 3.13Å
137	A	97.8	Very high	95.2	Very high	26 Å²	26	65.9 Å²	65.9	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-60.1	-35.4	179	0	0	0	0	0	112.1	R141 H381 L382	A137-R141 WeakPolarHBondContact O-CD 3.41Å; A137-R141 WeakPolarHBondContact O-CG 3.29Å; A137-R141 PolarHBondContact O-N 2.94Å; A137-R141 VanDerWaalsContact O-N 3.12Å; A137-H381 PolarHBondContact N-NE2 3.38Å; A137-L382 HydrophobicContact CB-CD2 4.18Å; A137-L382 WeakPolarHBondContact O-CD2 3.46Å
138	E	97.9	Very high	95.4	Very high	141 Å²	141	58 Å²	58	66%	0.659	33%	0.333	S	S	*	.	H	α-helix	trans	-66.6	-50.7	175.8	-68.8	173.9	-178.1	0	0	111.7	S136 L140 R141 C142	S136-E138 PolarHBondContact O-N 3.16Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.42Å; E138-R141 PolarHBondContact O-N 3.25Å; E138-C142 PolarHBondContact O-N 2.83Å; E138-C142 VanDerWaalsContact O-N 3.11Å; E138-C142 PolarHBondContact O-SG 2.93Å
139	A	98.3	Very high	95.7	Very high	43 Å²	43	60.4 Å²	60.4	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-39.4	178.7	0	0	0	0	0	111.7	F135 S136 C142 H143	F135-A139 HydrophobicContact CD1-CB 4.19Å; S136-A139 PolarHBondContact O-N 3.05Å; S136-A139 VanDerWaalsContact OG-CB 3.3Å; S136-A139 WeakPolarHBondContact OG-CB 3.47Å; S136-A139 PolarHBondContact OG-N 2.93Å; S136-A139 VanDerWaalsContact OG-N 3.13Å; A139-C142 PolarHBondContact O-N 2.97Å; A139-H143 WeakPolarHBondContact O-CB 3.49Å; A139-H143 PolarHBondContact O-N 2.69Å
140	L	98.4	Very high	96.1	Very high	4 Å²	4	58 Å²	58	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-35.8	178.9	-170.1	52.4	0	0	0	112.6	F135 S136 E138 H143 L144 I307 I311 L378 L382	F135-L140 HydrophobicContact CB-CB 3.7Å; F135-L140 HydrophobicContact CB-CD1 4.28Å; F135-L140 HydrophobicContact CB-CD2 4.46Å; F135-L140 HydrophobicContact CB-CG 4.37Å; F135-L140 HydrophobicContact CD2-CD1 4.1Å; F135-L140 HydrophobicContact CG-CB 4.31Å; F135-L140 HydrophobicContact CG-CD1 4.11Å; S136-L140 WeakPolarHBondContact O-CB 3.27Å; S136-L140 PolarHBondContact O-N 3.13Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.42Å; L140-H143 PolarHBondContact O-N 3.24Å; L140-L144 HydrophobicContact CG-CD1 4.39Å; L140-L144 WeakPolarHBondContact O-CB 3.32Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 3.42Å; L140-I307 HydrophobicContact CD1-CG2 3.93Å; L140-I311 HydrophobicContact CD1-CG2 4.05Å; L140-I311 HydrophobicContact CD2-CD1 4.38Å; L140-L378 HydrophobicContact CD2-CD1 3.35Å; L140-L378 HydrophobicContact CG-CD1 4Å; L140-L382 HydrophobicContact CB-CD2 4.12Å; L140-L382 HydrophobicContact CD2-CD2 4.16Å; L140-L382 HydrophobicContact CG-CD2 4.26Å
141	R	98.6	Very high	97	Very high	20 Å²	20	56.6 Å²	56.6	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-43.4	173.6	-71.5	167.1	-164.9	137.4	2.3	111.4	A137 E138 L144 R145 L382 I404	A137-R141 WeakPolarHBondContact O-CD 3.41Å; A137-R141 WeakPolarHBondContact O-CG 3.29Å; A137-R141 PolarHBondContact O-N 2.94Å; A137-R141 VanDerWaalsContact O-N 3.12Å; E138-R141 PolarHBondContact O-N 3.25Å; R141-L144 PolarHBondContact O-N 3.02Å; R141-R145 WeakPolarHBondContact O-CB 3.47Å; R141-R145 PolarHBondContact O-N 2.93Å; R141-L382 HydrophobicContact CG-CD2 3.83Å; R141-L382 PolarHBondContact NH2-O 2.96Å; R141-I404 HydrophobicContact CB-CD1 3.87Å; R141-I404 HydrophobicContact CB-CG2 4.35Å
142	C	98.5	Very high	97.6	Very high	18 Å²	18	53.5 Å²	53.5	12%	0.122	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-46.4	174.4	-68.6	0	0	0	0	111.3	E138 A139 L144 R145 D146 H405 C406	E138-C142 PolarHBondContact O-N 2.83Å; E138-C142 VanDerWaalsContact O-N 3.11Å; E138-C142 PolarHBondContact O-SG 2.93Å; A139-C142 PolarHBondContact O-N 2.97Å; C142-L144 PolarHBondContact O-N 3.29Å; C142-R145 WeakPolarHBondContact O-CB 3.47Å; C142-R145 PolarHBondContact O-N 3.47Å; C142-R145 VanDerWaalsContact O-N 3.16Å; C142-D146 WeakPolarHBondContact O-CB 3.34Å; C142-D146 VanDerWaalsContact O-CG 3.26Å; C142-D146 PolarHBondContact O-N 3.27Å; C142-H405 PolarHBondContact SG-O 2.88Å; C142-C406 WeakPolarHBondContact CA-SG 3.42Å; C142-C406 HydrophobicContact CB-CB 3.73Å; C142-C406 WeakPolarHBondContact CB-SG 3.4Å; C142-C406 WeakPolarHBondContact SG-CB 3.01Å; C142-C406 CovalentContact SG-SG 2.02Å; C142-C406 PolarHBondContact SG-SG 2.99Å
143	H	98.4	Very high	98	Very high	35 Å²	35	52.2 Å²	52.2	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-46.7	177.6	-168.4	67.5	0	0	0	111.8	F135 A139 L140 R145 D146 H147 E310	F135-H143 HydrophobicContact CE1-CB 4.48Å; A139-H143 WeakPolarHBondContact O-CB 3.49Å; A139-H143 PolarHBondContact O-N 2.69Å; L140-H143 PolarHBondContact O-N 3.24Å; H143-R145 PolarHBondContact O-N 3.11Å; H143-D146 PolarHBondContact O-N 3.21Å; H143-H147 AromaticContact CE1-CD2 3.83Å; H143-H147 AromaticContact CE1-CE1 3.61Å; H143-H147 AromaticContact CE1-CG 3.68Å; H143-H147 AromaticContact CE1-ND1 3.53Å; H143-H147 AromaticContact CE1-NE2 3.78Å; H143-H147 AromaticContact CG-ND1 3.87Å; H143-H147 AromaticContact ND1-CE1 3.3Å; H143-H147 PolarHBondContact ND1-CE1 2.81Å; H143-H147 VanDerWaalsContact ND1-CE1 3.3Å; H143-H147 AromaticContact ND1-CG 3.89Å; H143-H147 AromaticContact ND1-ND1 3.25Å; H143-H147 PolarHBondContact ND1-ND1 2.87Å; H143-H147 AromaticContact ND1-NE2 3.92Å; H143-H147 WeakPolarHBondContact O-CB 2.97Å; H143-H147 PolarHBondContact O-N 3.46Å; H143-H147 PolarHBondContact O-ND1 3.4Å; H143-E310 IonicContact NE2-OE2 3.63Å
144	L	98.8	Very high	98.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-45.1	173.7	-76.3	164	0	0	0	112.8	L140 R141 C142 D146 V148 L304 I307 I329 L378 L382 F401	L140-L144 HydrophobicContact CG-CD1 4.39Å; L140-L144 WeakPolarHBondContact O-CB 3.32Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 3.42Å; R141-L144 PolarHBondContact O-N 3.02Å; C142-L144 PolarHBondContact O-N 3.29Å; L144-D146 VanDerWaalsContact C-N 3.31Å; L144-D146 PolarHBondContact O-N 3.25Å; L144-V148 HydrophobicContact CD2-CG2 4.25Å; L144-V148 WeakPolarHBondContact O-CB 3.4Å; L144-V148 PolarHBondContact O-N 3.44Å; L144-V148 VanDerWaalsContact O-N 3.14Å; L144-L304 HydrophobicContact CD2-CD1 3.62Å; L144-I307 HydrophobicContact CD2-CD1 3.79Å; L144-I307 HydrophobicContact CD2-CG2 4.09Å; L144-I307 HydrophobicContact CG-CD1 4.35Å; L144-I329 HydrophobicContact CD1-CD1 4.45Å; L144-I329 HydrophobicContact CD2-CD1 4.16Å; L144-L378 HydrophobicContact CD1-CD1 4.35Å; L144-L382 HydrophobicContact CD1-CD1 3.63Å; L144-F401 HydrophobicContact CB-CE1 4.04Å; L144-F401 HydrophobicContact CB-CZ 4.04Å
145	R	98.5	Very high	98.3	Very high	83 Å²	83	46.5 Å²	46.5	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-43.1	179.5	-176.3	-169.7	69	-175.3	3.4	111.6	R141 C142 H143 F401 I404 C406	R141-R145 WeakPolarHBondContact O-CB 3.47Å; R141-R145 PolarHBondContact O-N 2.93Å; C142-R145 WeakPolarHBondContact O-CB 3.47Å; C142-R145 PolarHBondContact O-N 3.47Å; C142-R145 VanDerWaalsContact O-N 3.16Å; H143-R145 PolarHBondContact O-N 3.11Å; R145-F401 HydrophobicContact CB-CB 4.45Å; R145-F401 HydrophobicContact CB-CD1 3.6Å; R145-F401 HydrophobicContact CB-CE1 3.91Å; R145-F401 HydrophobicContact CB-CG 4.01Å; R145-F401 HydrophobicContact CG-CB 3.91Å; R145-F401 HydrophobicContact CG-CD1 4.03Å; R145-F401 HydrophobicContact CG-CG 3.94Å; R145-I404 HydrophobicContact CB-CD1 4.08Å; R145-C406 PolarHBondContact NH1-SG 3.22Å; R145-C406 VanDerWaalsContact NH2-CB 3.28Å; R145-C406 PolarHBondContact NH2-SG 3.14Å
146	D	98.4	Very high	98.4	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	28%	0.276	S	S	.	.	H	α-helix	trans	-87.6	-23.5	-168.9	-62.3	-17.9	0	0	0	112.6	C142 H143 L144	C142-D146 WeakPolarHBondContact O-CB 3.34Å; C142-D146 VanDerWaalsContact O-CG 3.26Å; C142-D146 PolarHBondContact O-N 3.27Å; H143-D146 PolarHBondContact O-N 3.21Å; L144-D146 VanDerWaalsContact C-N 3.31Å; L144-D146 PolarHBondContact O-N 3.25Å
147	H	98.6	Very high	98.4	Very high	107 Å²	107	47.3 Å²	47.3	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-112.8	-6.8	-173.6	-58.5	76	0	0	0	114.3	H143 I307	H143-H147 AromaticContact CE1-CD2 3.83Å; H143-H147 AromaticContact CE1-CE1 3.61Å; H143-H147 AromaticContact CE1-CG 3.68Å; H143-H147 AromaticContact CE1-ND1 3.53Å; H143-H147 AromaticContact CE1-NE2 3.78Å; H143-H147 AromaticContact CG-ND1 3.87Å; H143-H147 AromaticContact ND1-CE1 3.3Å; H143-H147 PolarHBondContact ND1-CE1 2.81Å; H143-H147 VanDerWaalsContact ND1-CE1 3.3Å; H143-H147 AromaticContact ND1-CG 3.89Å; H143-H147 AromaticContact ND1-ND1 3.25Å; H143-H147 PolarHBondContact ND1-ND1 2.87Å; H143-H147 AromaticContact ND1-NE2 3.92Å; H143-H147 WeakPolarHBondContact O-CB 2.97Å; H143-H147 PolarHBondContact O-N 3.46Å; H143-H147 PolarHBondContact O-ND1 3.4Å; H147-I307 HydrophobicContact CB-CD1 4.21Å
148	V	98.8	Very high	98.4	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.042	28%	0.275	C	S	.	.			trans	-113.5	108.2	174.8	-173.4	0	0	0	0	110.2	L144 V150 M300 E303 L304 I307 I329	L144-V148 HydrophobicContact CD2-CG2 4.25Å; L144-V148 WeakPolarHBondContact O-CB 3.4Å; L144-V148 PolarHBondContact O-N 3.44Å; L144-V148 VanDerWaalsContact O-N 3.14Å; V148-V150 PolarHBondContact O-N 3.02Å; V148-M300 HydrophobicContact CG1-CE 3.82Å; V148-M300 HydrophobicContact CG1-CG 3.96Å; V148-M300 HydrophobicContact CG1-SD 4.35Å; V148-E303 HydrophobicContact CG1-CB 4.48Å; V148-L304 HydrophobicContact CG1-CB 4.23Å; V148-L304 HydrophobicContact CG2-CB 4.31Å; V148-L304 HydrophobicContact CG2-CD1 4.31Å; V148-I307 HydrophobicContact CG2-CD1 3.53Å; V148-I329 HydrophobicContact CG1-CG2 4.08Å
149	N	98.5	Very high	98.4	Very high	89 Å²	89	45.7 Å²	45.7	48%	0.476	25%	0.247	S	C	.	.			trans	-86.3	95.9	-177.7	-174.7	10.1	0	0	0	111.5	S151 M300 E303	N149-S151 PolarHBondContact ND2-OG 3.21Å; N149-S151 PolarHBondContact O-N 2.91Å; N149-M300 WeakPolarHBondContact O-CG 3.42Å; N149-E303 PolarHBondContact N-OE2 3.14Å
150	V	98.6	Very high	98.4	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	23%	0.231	C	C	.	.			trans	-75.3	90.1	172.7	-170.8	0	0	0	0	110.4	V148 M300 I329 I330 T333	V148-V150 PolarHBondContact O-N 3.02Å; V150-M300 HydrophobicContact CG2-CE 3.83Å; V150-I329 HydrophobicContact CG2-CG2 3.7Å; V150-I330 HydrophobicContact CG1-CB 4.46Å; V150-I330 HydrophobicContact CG1-CG1 3.85Å; V150-T333 HydrophobicContact CB-CG2 4.26Å; V150-T333 WeakPolarHBondContact CG2-OG1 3.22Å
151	S	98.3	Very high	98.4	Very high	21 Å²	21	48 Å²	48	15%	0.147	25%	0.253	C	S	.	.			trans	-136.6	154.6	178	59.6	0	0	0	0	111.8	N149 K297	N149-S151 PolarHBondContact ND2-OG 3.21Å; N149-S151 PolarHBondContact O-N 2.91Å; S151-K297 PolarHBondContact O-N 2.7Å; S151-K297 VanDerWaalsContact O-N 3.15Å; S151-K297 WeakPolarHBondContact OG-CD 3.49Å
152	M	98.8	Very high	98.4	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.025	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-103.6	157.2	178.2	-54.9	-59.1	158.3	0	0	109.1	E154 I174 I255 Y294 I295 L296 K297	M152-E154 PolarHBondContact O-N 3.49Å; M152-I174 HydrophobicContact CE-CD1 3.82Å; M152-I174 HydrophobicContact CE-CG2 4.2Å; M152-I174 HydrophobicContact CG-CB 4.25Å; M152-I174 HydrophobicContact CG-CG2 3.91Å; M152-I255 HydrophobicContact CE-CD1 3.98Å; M152-I255 HydrophobicContact CE-CG2 4.25Å; M152-I255 HydrophobicContact SD-CG2 4.05Å; M152-Y294 HydrophobicContact CB-CD1 3.98Å; M152-Y294 HydrophobicContact CB-CG 4.44Å; M152-Y294 HydrophobicContact CG-CD1 3.91Å; M152-Y294 HydrophobicContact CG-CG 4.02Å; M152-I295 CarbonylContact C-O 3.53Å; M152-I295 VanDerWaalsContact CA-O 3.25Å; M152-I295 WeakPolarHBondContact CA-O 3.47Å; M152-I295 WeakPolarHBondContact CB-O 3.28Å; M152-L296 HydrophobicContact CE-CD1 3.95Å; M152-L296 HydrophobicContact SD-CB 4.36Å; M152-L296 HydrophobicContact SD-CD1 3.98Å; M152-K297 WeakPolarHBondContact O-CE 2.98Å
153	V	98.8	Very high	98.4	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.036	29%	0.294	C	S	.	.			trans	-60.2	128.8	168.4	177.6	0	0	0	0	108.7	D157 F160 L169 W269 I295 K297	V153-D157 HydrophobicContact CG1-CB 4.3Å; V153-F160 HydrophobicContact CG1-CB 4.12Å; V153-F160 HydrophobicContact CG1-CD1 3.87Å; V153-F160 HydrophobicContact CG1-CD2 3.3Å; V153-F160 HydrophobicContact CG1-CE1 4.08Å; V153-F160 HydrophobicContact CG1-CE2 3.56Å; V153-F160 HydrophobicContact CG1-CG 3.48Å; V153-F160 VanDerWaalsContact CG1-CG 3.48Å; V153-F160 HydrophobicContact CG1-CZ 3.94Å; V153-F160 HydrophobicContact CG2-CE2 4.46Å; V153-L169 HydrophobicContact CG1-CD1 3.91Å; V153-W269 HydrophobicContact CG2-CZ3 4.37Å; V153-I295 HydrophobicContact CB-CB 4.16Å; V153-I295 HydrophobicContact CG2-CB 4.06Å; V153-I295 HydrophobicContact CG2-CG2 3.89Å; V153-I295 PolarHBondContact N-O 2.54Å; V153-K297 HydrophobicContact CG2-CG 4.25Å
154	E	98.3	Very high	98.4	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	31%	0.311	S	S	.	.			trans	-110.6	161.2	178.9	-65.2	-177.5	149.5	0	0	110.5	M152 T156 D157 N173	M152-E154 PolarHBondContact O-N 3.49Å; E154-T156 PolarHBondContact O-N 2.86Å; E154-D157 PolarHBondContact N-OD2 3.01Å; E154-D157 WeakPolarHBondContact O-CB 3.43Å; E154-D157 PolarHBondContact O-N 3.36Å; E154-N173 PolarHBondContact OE1-ND2 3.26Å; E154-N173 VanDerWaalsContact OE1-ND2 3.1Å
155	A	97.6	Very high	98.4	Very high	64 Å²	64	57.5 Å²	57.5	53%	0.529	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.3	179.4	0	0	0	0	0	113.7	N161	A155-N161 WeakPolarHBondContact O-CA 3.26Å; A155-N161 WeakPolarHBondContact O-CB 3.24Å; A155-N161 PolarHBondContact O-N 3.42Å
156	T	97.9	Very high	98.3	Very high	108 Å²	108	61 Å²	61	66%	0.663	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-19	174	47.9	0	0	0	0	112.8	E154 F158	E154-T156 PolarHBondContact O-N 2.86Å; T156-F158 PolarHBondContact O-N 3.19Å
157	D	98.4	Very high	98.2	Very high	30 Å²	30	59.9 Å²	59.9	16%	0.16	34%	0.342	C	S	.	.	S	Bend	trans	-76.5	119.2	180	-66	-55.3	0	0	0	110.2	V153 E154 F160 N161 I266 K297	V153-D157 HydrophobicContact CG1-CB 4.3Å; E154-D157 PolarHBondContact N-OD2 3.01Å; E154-D157 WeakPolarHBondContact O-CB 3.43Å; E154-D157 PolarHBondContact O-N 3.36Å; D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 VanDerWaalsContact O-CB 3.27Å; D157-F160 WeakPolarHBondContact O-CB 3.1Å; D157-F160 PolarHBondContact O-N 3.49Å; D157-N161 PolarHBondContact O-N 2.83Å; D157-I266 HydrophobicContact CB-CD1 3.78Å; D157-K297 VanDerWaalsContact CG-NZ 3.26Å; D157-K297 IonicContact OD1-NZ 2.87Å; D157-K297 PolarHBondContact OD1-NZ 3.37Å; D157-K297 WeakPolarHBondContact OD2-CE 3.01Å; D157-K297 IonicContact OD2-NZ 3.25Å; D157-K297 PolarHBondContact OD2-NZ 3.32Å
158	F	98.3	Very high	98.2	Very high	121 Å²	121	57 Å²	57	53%	0.531	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	135.7	172.8	177.3	-96.5	0	0	0	110.8	T156 N161 T162 I266 P267	T156-F158 PolarHBondContact O-N 3.19Å; F158-N161 WeakPolarHBondContact CD2-OD1 3.48Å; F158-T162 HydrophobicContact CD2-CG2 4.48Å; F158-T162 HydrophobicContact CE2-CG2 4.21Å; F158-I266 WeakPolarHBondContact O-CG2 3.3Å; F158-P267 HydrophobicContact CD1-CB 4.04Å; F158-P267 HydrophobicContact CD1-CG 3.81Å; F158-P267 HydrophobicContact CE1-CB 4.26Å
159	P	98.4	Very high	98.2	Very high	12 Å²	12	57.4 Å²	57.4	8%	0.078	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.7	16.7	7	38.3	-35.2	0	0	0	115.2	N161 T162 Y270	P159-N161 PolarHBondContact O-N 3.34Å; P159-T162 HydrophobicContact CB-CG2 4.27Å; P159-T162 WeakPolarHBondContact O-CB 3.33Å; P159-T162 VanDerWaalsContact O-CG2 3.27Å; P159-T162 WeakPolarHBondContact O-CG2 3.42Å; P159-T162 PolarHBondContact O-N 3.09Å; P159-T162 PolarHBondContact O-OG1 3.39Å; P159-Y270 HydrophobicContact CG-CD1 3.5Å; P159-Y270 VanDerWaalsContact CG-CD1 3.5Å; P159-Y270 HydrophobicContact CG-CD2 3.82Å; P159-Y270 HydrophobicContact CG-CE1 3.78Å; P159-Y270 HydrophobicContact CG-CE2 4.08Å; P159-Y270 HydrophobicContact CG-CG 3.52Å
160	F	98.6	Very high	98.2	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.018	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-8	179.8	-60.6	-92.6	0	0	0	113.7	V153 D157 T162 W165 L169 I266 W269 Y270 F278 I295	V153-F160 HydrophobicContact CG1-CB 4.12Å; V153-F160 HydrophobicContact CG1-CD1 3.87Å; V153-F160 HydrophobicContact CG1-CD2 3.3Å; V153-F160 HydrophobicContact CG1-CE1 4.08Å; V153-F160 HydrophobicContact CG1-CE2 3.56Å; V153-F160 HydrophobicContact CG1-CG 3.48Å; V153-F160 VanDerWaalsContact CG1-CG 3.48Å; V153-F160 HydrophobicContact CG1-CZ 3.94Å; V153-F160 HydrophobicContact CG2-CE2 4.46Å; D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 VanDerWaalsContact O-CB 3.27Å; D157-F160 WeakPolarHBondContact O-CB 3.1Å; D157-F160 PolarHBondContact O-N 3.49Å; F160-T162 VanDerWaalsContact C-N 3.31Å; F160-W165 HydrophobicContact CB-CG 4.45Å; F160-W165 AromaticContact CD1-CD2 3.49Å; F160-W165 HydrophobicContact CD1-CD2 3.49Å; F160-W165 VanDerWaalsContact CD1-CD2 3.49Å; F160-W165 AromaticContact CD1-CE2 3.7Å; F160-W165 AromaticContact CD1-CE3 3.62Å; F160-W165 HydrophobicContact CD1-CE3 3.62Å; F160-W165 HydrophobicContact CD1-CG 4.01Å; F160-W165 HydrophobicContact CD1-CH2 4.16Å; F160-W165 HydrophobicContact CD1-CZ2 4.05Å; F160-W165 AromaticContact CD1-CZ3 3.95Å; F160-W165 HydrophobicContact CD1-CZ3 3.95Å; F160-W165 AromaticContact CE1-CD2 3.97Å; F160-W165 HydrophobicContact CE1-CD2 3.97Å; F160-W165 AromaticContact CE1-CE2 3.72Å; F160-W165 HydrophobicContact CE1-CE3 4.04Å; F160-W165 AromaticContact CE1-CH2 3.7Å; F160-W165 HydrophobicContact CE1-CH2 3.7Å; F160-W165 AromaticContact CE1-CZ2 3.61Å; F160-W165 HydrophobicContact CE1-CZ2 3.61Å; F160-W165 AromaticContact CE1-CZ3 3.9Å; F160-W165 HydrophobicContact CE1-CZ3 3.9Å; F160-W165 HydrophobicContact CG-CD2 4.44Å; F160-W165 VanDerWaalsContact O-CB 3.27Å; F160-W165 WeakPolarHBondContact O-CB 3.12Å; F160-L169 HydrophobicContact CB-CD1 3.72Å; F160-L169 HydrophobicContact CD1-CD1 3.97Å; F160-L169 HydrophobicContact CD1-CD2 4.28Å; F160-L169 HydrophobicContact CD1-CG 4.4Å; F160-L169 HydrophobicContact CG-CD1 4.08Å; F160-I266 HydrophobicContact CD2-CG2 4.09Å; F160-I266 HydrophobicContact CE2-CG2 3.7Å; F160-W269 HydrophobicContact CE2-CZ3 4.08Å; F160-W269 HydrophobicContact CZ-CH2 4.38Å; F160-W269 AromaticContact CZ-CZ3 3.92Å; F160-W269 HydrophobicContact CZ-CZ3 3.92Å; F160-Y270 HydrophobicContact CE1-CD2 4.42Å; F160-Y270 HydrophobicContact CE1-CE2 4.34Å; F160-Y270 HydrophobicContact CE2-CD2 4.03Å; F160-Y270 AromaticContact CZ-CD2 3.75Å; F160-Y270 HydrophobicContact CZ-CD2 3.75Å; F160-Y270 HydrophobicContact CZ-CE2 4.12Å; F160-F278 HydrophobicContact CE1-CE1 4.26Å; F160-F278 AromaticContact CZ-CE1 3.97Å; F160-F278 HydrophobicContact CZ-CE1 3.97Å; F160-I295 HydrophobicContact CE1-CD1 3.98Å
161	N	98.2	Very high	98	Very high	90 Å²	90	63.7 Å²	63.7	48%	0.481	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.5	169.8	67.6	-13.7	0	0	0	114.2	A155 D157 F158 P159	A155-N161 WeakPolarHBondContact O-CA 3.26Å; A155-N161 WeakPolarHBondContact O-CB 3.24Å; A155-N161 PolarHBondContact O-N 3.42Å; D157-N161 PolarHBondContact O-N 2.83Å; F158-N161 WeakPolarHBondContact CD2-OD1 3.48Å; P159-N161 PolarHBondContact O-N 3.34Å
162	T	98.4	Very high	97.9	Very high	50 Å²	50	66.1 Å²	66.1	31%	0.307	37%	0.365	S	S	.	.	S	Bend	trans	-84	161.4	-180	62.3	0	0	0	0	112.1	F158 P159 F160 E164 W165 E166	F158-T162 HydrophobicContact CD2-CG2 4.48Å; F158-T162 HydrophobicContact CE2-CG2 4.21Å; P159-T162 HydrophobicContact CB-CG2 4.27Å; P159-T162 WeakPolarHBondContact O-CB 3.33Å; P159-T162 VanDerWaalsContact O-CG2 3.27Å; P159-T162 WeakPolarHBondContact O-CG2 3.42Å; P159-T162 PolarHBondContact O-N 3.09Å; P159-T162 PolarHBondContact O-OG1 3.39Å; F160-T162 VanDerWaalsContact C-N 3.31Å; T162-E164 PolarHBondContact O-N 3.3Å; T162-E164 VanDerWaalsContact O-N 3.17Å; T162-W165 PolarHBondContact O-N 2.9Å; T162-E166 PolarHBondContact O-N 2.89Å
163	S	97.9	Very high	97.8	Very high	107 Å²	107	68.5 Å²	68.5	75%	0.748	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-59.1	-27.2	178.7	54.3	0	0	0	0	113.8	W165 E166	S163-W165 PolarHBondContact O-N 3.47Å; S163-E166 PolarHBondContact O-N 3.19Å
164	E	97.8	Very high	97.7	Very high	112 Å²	112	68.6 Å²	68.6	52%	0.523	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-66.7	-21.2	176.3	-155.9	-151.2	132.1	0	0	113	T162 Y168 K282	T162-E164 PolarHBondContact O-N 3.3Å; T162-E164 VanDerWaalsContact O-N 3.17Å; E164-Y168 WeakPolarHBondContact O-CE2 3.43Å; E164-K282 PolarHBondContact O-NZ 2.67Å; E164-K282 IonicContact OE1-NZ 2.71Å; E164-K282 PolarHBondContact OE1-NZ 3.11Å
165	W	98.5	Very high	97.5	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.015	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-108.1	-3.3	-177.6	-82.6	99.2	0	0	0	113.9	F160 T162 S163 G167 Y168 L169 Y270 F278 Y281 K282 I295	F160-W165 HydrophobicContact CB-CG 4.45Å; F160-W165 AromaticContact CD1-CD2 3.49Å; F160-W165 HydrophobicContact CD1-CD2 3.49Å; F160-W165 VanDerWaalsContact CD1-CD2 3.49Å; F160-W165 AromaticContact CD1-CE2 3.7Å; F160-W165 AromaticContact CD1-CE3 3.62Å; F160-W165 HydrophobicContact CD1-CE3 3.62Å; F160-W165 HydrophobicContact CD1-CG 4.01Å; F160-W165 HydrophobicContact CD1-CH2 4.16Å; F160-W165 HydrophobicContact CD1-CZ2 4.05Å; F160-W165 AromaticContact CD1-CZ3 3.95Å; F160-W165 HydrophobicContact CD1-CZ3 3.95Å; F160-W165 AromaticContact CE1-CD2 3.97Å; F160-W165 HydrophobicContact CE1-CD2 3.97Å; F160-W165 AromaticContact CE1-CE2 3.72Å; F160-W165 HydrophobicContact CE1-CE3 4.04Å; F160-W165 AromaticContact CE1-CH2 3.7Å; F160-W165 HydrophobicContact CE1-CH2 3.7Å; F160-W165 AromaticContact CE1-CZ2 3.61Å; F160-W165 HydrophobicContact CE1-CZ2 3.61Å; F160-W165 AromaticContact CE1-CZ3 3.9Å; F160-W165 HydrophobicContact CE1-CZ3 3.9Å; F160-W165 HydrophobicContact CG-CD2 4.44Å; F160-W165 VanDerWaalsContact O-CB 3.27Å; F160-W165 WeakPolarHBondContact O-CB 3.12Å; T162-W165 PolarHBondContact O-N 2.9Å; S163-W165 PolarHBondContact O-N 3.47Å; W165-G167 PolarHBondContact O-N 3.3Å; W165-Y168 PolarHBondContact O-N 3.4Å; W165-Y168 VanDerWaalsContact O-N 3.13Å; W165-L169 HydrophobicContact CE3-CD2 4.41Å; W165-L169 HydrophobicContact CZ3-CD2 4.27Å; W165-Y270 AromaticContact CE2-CE2 3.85Å; W165-Y270 AromaticContact CZ2-CE2 3.79Å; W165-Y270 HydrophobicContact CZ2-CE2 3.79Å; W165-Y270 AromaticContact NE1-CE2 3.45Å; W165-Y270 AromaticContact NE1-CZ 3.51Å; W165-Y270 PolarHBondContact NE1-OH 3.27Å; W165-F278 HydrophobicContact CH2-CB 4.1Å; W165-F278 AromaticContact CH2-CD1 3.67Å; W165-F278 HydrophobicContact CH2-CD1 3.67Å; W165-F278 HydrophobicContact CH2-CG 4.21Å; W165-F278 HydrophobicContact CZ2-CB 3.9Å; W165-F278 AromaticContact CZ2-CD1 3.61Å; W165-F278 HydrophobicContact CZ2-CD1 3.61Å; W165-F278 HydrophobicContact CZ2-CE1 4.35Å; W165-F278 AromaticContact CZ2-CG 3.88Å; W165-F278 HydrophobicContact CZ2-CG 3.88Å; W165-Y281 HydrophobicContact CH2-CD1 4.19Å; W165-Y281 AromaticContact CZ3-CD1 3.89Å; W165-Y281 HydrophobicContact CZ3-CD1 3.89Å; W165-Y281 AromaticContact CZ3-CE1 3.89Å; W165-Y281 HydrophobicContact CZ3-CE1 3.89Å; W165-K282 VanDerWaalsContact CE2-CE 3.47Å; W165-K282 HydrophobicContact CH2-CG 4.31Å; W165-K282 VanDerWaalsContact CZ2-CE 3.45Å; W165-K282 HydrophobicContact CZ3-CG 4.27Å; W165-I295 HydrophobicContact CH2-CD1 4.45Å; W165-I295 HydrophobicContact CZ3-CD1 4.49Å
166	E	97.9	Very high	97.4	Very high	158 Å²	158	72.9 Å²	72.9	74%	0.738	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	125.5	-178.7	-169.7	173.9	-174.3	0	0	111.4	T162 S163 Y168	T162-E166 PolarHBondContact O-N 2.89Å; S163-E166 PolarHBondContact O-N 3.19Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 3.31Å
167	G	96.6	Very high	97.3	Very high	70 Å²	70	72.8 Å²	72.8	72%	0.722	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-1.7	177.5	0	0	0	0	0	116.6	W165	W165-G167 PolarHBondContact O-N 3.3Å
168	Y	98.4	Very high	97.1	Very high	47 Å²	47	71.4 Å²	71.4	18%	0.184	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-42.6	-179.6	-77.7	-72.1	0	0	0	113.9	E164 W165 E166 K282 R285 K286	E164-Y168 WeakPolarHBondContact O-CE2 3.43Å; W165-Y168 PolarHBondContact O-N 3.4Å; W165-Y168 VanDerWaalsContact O-N 3.13Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 3.31Å; Y168-K282 HydrophobicContact CD1-CB 3.82Å; Y168-K282 HydrophobicContact CD1-CD 4.44Å; Y168-K282 HydrophobicContact CD1-CG 3.65Å; Y168-K282 HydrophobicContact CD2-CD 4.1Å; Y168-K282 HydrophobicContact CD2-CG 4.12Å; Y168-K282 HydrophobicContact CE1-CB 3.44Å; Y168-K282 VanDerWaalsContact CE1-CB 3.44Å; Y168-K282 HydrophobicContact CE1-CD 4.18Å; Y168-K282 HydrophobicContact CE1-CG 3.63Å; Y168-K282 HydrophobicContact CE2-CD 3.81Å; Y168-K282 HydrophobicContact CE2-CG 4.1Å; Y168-K282 HydrophobicContact CG-CD 4.39Å; Y168-K282 HydrophobicContact CG-CG 3.89Å; Y168-R285 HydrophobicContact CD1-CB 4.12Å; Y168-R285 PolarHBondContact O-NE 3.26Å; Y168-K286 HydrophobicContact CE1-CG 4.29Å; Y168-K286 WeakPolarHBondContact OH-CE 2.96Å; Y168-K286 PolarHBondContact OH-NZ 3.13Å
169	L	98.6	Very high	96.8	Very high	15 Å²	15	66.9 Å²	66.9	8%	0.079	36%	0.359	C	S	.	.	S	Bend	trans	-74.8	146.6	179.3	-61.2	-176.2	0	0	0	111	V153 F160 W165 K171 Y281 I295	V153-L169 HydrophobicContact CG1-CD1 3.91Å; F160-L169 HydrophobicContact CB-CD1 3.72Å; F160-L169 HydrophobicContact CD1-CD1 3.97Å; F160-L169 HydrophobicContact CD1-CD2 4.28Å; F160-L169 HydrophobicContact CD1-CG 4.4Å; F160-L169 HydrophobicContact CG-CD1 4.08Å; W165-L169 HydrophobicContact CE3-CD2 4.41Å; W165-L169 HydrophobicContact CZ3-CD2 4.27Å; L169-K171 PolarHBondContact O-N 3.32Å; L169-Y281 HydrophobicContact CD2-CE1 4.21Å; L169-Y281 WeakPolarHBondContact CD2-OH 3.24Å; L169-I295 HydrophobicContact CD2-CD1 3.95Å; L169-I295 HydrophobicContact CD2-CG1 4.45Å
170	P	97.9	Very high	96.6	Very high	28 Å²	28	70.6 Å²	70.6	18%	0.182	38%	0.383	C	S	.	.			trans	-56.9	137.6	170.6	-23.5	34.2	0	0	0	111.4	F293 Y294	P170-F293 VanDerWaalsContact CD-O 3.23Å; P170-F293 WeakPolarHBondContact CD-O 3.33Å; P170-F293 VanDerWaalsContact CG-O 3.23Å; P170-F293 WeakPolarHBondContact CG-O 3.42Å; P170-Y294 HydrophobicContact CB-CD1 4.28Å; P170-Y294 HydrophobicContact CB-CE1 3.63Å; P170-Y294 HydrophobicContact CG-CD1 3.94Å; P170-Y294 HydrophobicContact CG-CE1 3.78Å; P170-Y294 HydrophobicContact CG-CE2 4.41Å; P170-Y294 HydrophobicContact CG-CG 4.33Å
171	K	95.2	Very high	96.6	Very high	206 Å²	206	72.7 Å²	72.7	90%	0.896	39%	0.391	S	S	*	.	S	Bend	trans	-70.5	-40.9	178.2	-67	-178.1	179.4	-179.7	0	112.4	L169	L169-K171 PolarHBondContact O-N 3.32Å
172	D	96.3	Very high	96.7	Very high	71 Å²	71	69.7 Å²	69.7	38%	0.38	38%	0.381	S	S	.	.	S	Bend	trans	-87.6	138.5	-176.6	-58.4	-41.4	0	0	0	110.7	K177 Y294	D172-K177 HydrophobicContact CB-CD 4.49Å; D172-K177 HydrophobicContact CB-CG 4.22Å; D172-K177 WeakPolarHBondContact OD2-CE 3.35Å; D172-K177 IonicContact OD2-NZ 2.71Å; D172-K177 PolarHBondContact OD2-NZ 2.65Å; D172-Y294 WeakPolarHBondContact O-CE1 3.27Å; D172-Y294 PolarHBondContact O-OH 3.14Å
173	N	96.1	Very high	96.7	Very high	56 Å²	56	71.8 Å²	71.8	30%	0.299	38%	0.384	S	S	.	.			trans	-57.8	145.2	172.4	-171.3	-77.3	0	0	0	110.6	E154 R175 T176 K177	E154-N173 PolarHBondContact OE1-ND2 3.26Å; E154-N173 VanDerWaalsContact OE1-ND2 3.1Å; N173-R175 PolarHBondContact O-N 3.38Å; N173-R175 VanDerWaalsContact O-N 3.16Å; N173-R175 WeakPolarHBondContact OD1-CB 3.07Å; N173-R175 WeakPolarHBondContact OD1-CG 3.43Å; N173-R175 PolarHBondContact OD1-N 2.73Å; N173-T176 WeakPolarHBondContact O-CB 3.15Å; N173-T176 PolarHBondContact O-N 3.24Å; N173-K177 PolarHBondContact O-N 3.15Å
174	I	96.9	Very high	96.7	Very high	7 Å²	7	66.7 Å²	66.7	4%	0.036	35%	0.348	C	S	.	.	H	α-helix	trans	-55.9	-35	-179.7	-169.5	172.3	0	0	0	112.3	M152 T176 K177 A178 I253 I255 Y294	M152-I174 HydrophobicContact CE-CD1 3.82Å; M152-I174 HydrophobicContact CE-CG2 4.2Å; M152-I174 HydrophobicContact CG-CB 4.25Å; M152-I174 HydrophobicContact CG-CG2 3.91Å; I174-T176 PolarHBondContact O-N 3.01Å; I174-K177 CarbonylContact O-C 3.59Å; I174-K177 PolarHBondContact O-N 3.17Å; I174-A178 HydrophobicContact CG1-CB 4.04Å; I174-A178 WeakPolarHBondContact O-CB 3.4Å; I174-A178 PolarHBondContact O-N 2.86Å; I174-I253 HydrophobicContact CD1-CG2 4.38Å; I174-I255 HydrophobicContact CD1-CD1 3.61Å; I174-I255 HydrophobicContact CD1-CG1 4.13Å; I174-Y294 HydrophobicContact CB-CD1 4.23Å; I174-Y294 HydrophobicContact CB-CD2 4.19Å; I174-Y294 HydrophobicContact CB-CE1 3.99Å; I174-Y294 HydrophobicContact CB-CE2 3.94Å; I174-Y294 HydrophobicContact CB-CG 4.33Å; I174-Y294 HydrophobicContact CD1-CD2 3.99Å; I174-Y294 HydrophobicContact CD1-CE2 4.31Å; I174-Y294 HydrophobicContact CD1-CG 4.43Å; I174-Y294 HydrophobicContact CG1-CD2 4.04Å; I174-Y294 HydrophobicContact CG1-CE2 3.85Å
175	R	94.6	Very high	96.8	Very high	135 Å²	135	61.4 Å²	61.4	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-18.5	178.3	-62.4	-177.7	-177.9	-139.7	4.5	113.4	N173 L334	N173-R175 PolarHBondContact O-N 3.38Å; N173-R175 VanDerWaalsContact O-N 3.16Å; N173-R175 WeakPolarHBondContact OD1-CB 3.07Å; N173-R175 WeakPolarHBondContact OD1-CG 3.43Å; N173-R175 PolarHBondContact OD1-N 2.73Å; R175-L334 HydrophobicContact CG-CD2 4.19Å
176	T	94.7	Very high	96.8	Very high	100 Å²	100	61.3 Å²	61.3	61%	0.613	32%	0.323	S	S	*	.	H	α-helix	trans	-85.4	-27	173.7	-48.1	0	0	0	0	111.8	N173 I174	N173-T176 WeakPolarHBondContact O-CB 3.15Å; N173-T176 PolarHBondContact O-N 3.24Å; I174-T176 PolarHBondContact O-N 3.01Å
177	K	94.8	Very high	96.9	Very high	106 Å²	106	53.9 Å²	53.9	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-95.7	-22.5	179.6	-66	-63.3	-173.4	-163.2	0	113.5	D172 N173 I174 I253 P292 Y294	D172-K177 HydrophobicContact CB-CD 4.49Å; D172-K177 HydrophobicContact CB-CG 4.22Å; D172-K177 WeakPolarHBondContact OD2-CE 3.35Å; D172-K177 IonicContact OD2-NZ 2.71Å; D172-K177 PolarHBondContact OD2-NZ 2.65Å; N173-K177 PolarHBondContact O-N 3.15Å; I174-K177 CarbonylContact O-C 3.59Å; I174-K177 PolarHBondContact O-N 3.17Å; K177-I253 HydrophobicContact CB-CD1 4.09Å; K177-P292 HydrophobicContact CG-CG 4.49Å; K177-Y294 WeakPolarHBondContact CG-OH 3.27Å
178	A	95.9	Very high	97	Very high	1 Å²	1	51 Å²	51	1%	0.008	26%	0.258	C	S	.	.	S	Bend	trans	-126.3	114.7	-173.6	0	0	0	0	0	110.5	I174 W181 I229 I253 L334	I174-A178 HydrophobicContact CG1-CB 4.04Å; I174-A178 WeakPolarHBondContact O-CB 3.4Å; I174-A178 PolarHBondContact O-N 2.86Å; A178-W181 HydrophobicContact CB-CH2 3.56Å; A178-W181 HydrophobicContact CB-CZ2 4.3Å; A178-W181 HydrophobicContact CB-CZ3 3.97Å; A178-I229 HydrophobicContact CB-CD1 4.24Å; A178-I253 HydrophobicContact CB-CD1 3.72Å; A178-L334 HydrophobicContact CB-CD1 4.04Å; A178-L334 HydrophobicContact CB-CD2 4.48Å
179	G	90.3	Very high	97	Very high	25 Å²	25	49.5 Å²	49.5	26%	0.258	25%	0.254	S	S	.	.			trans	69.4	-157.3	178.7	0	0	0	0	0	114.2	W181	G179-W181 VanDerWaalsContact CA-CD2 3.48Å; G179-W181 VanDerWaalsContact N-CE2 3.28Å; G179-W181 VanDerWaalsContact N-CZ2 3.3Å
180	P	95.6	Very high	97	Very high	90 Å²	90	49.6 Å²	49.6	58%	0.584	26%	0.257	S	S	*	.			cis	-64.9	132.1	-4.7	27.7	-33	0	0	0	110.9	L334	P180-L334 WeakPolarHBondContact CA-O 3.45Å
181	W	98.6	Very high	97	Very high	48 Å²	48	48.5 Å²	48.5	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	159.9	178.8	-65.8	-59.5	0	0	0	111.5	A178 G179 C184 D206 A207 T228 I229 M331 L334 C335 D336	A178-W181 HydrophobicContact CB-CH2 3.56Å; A178-W181 HydrophobicContact CB-CZ2 4.3Å; A178-W181 HydrophobicContact CB-CZ3 3.97Å; G179-W181 VanDerWaalsContact CA-CD2 3.48Å; G179-W181 VanDerWaalsContact N-CE2 3.28Å; G179-W181 VanDerWaalsContact N-CZ2 3.3Å; W181-C184 VanDerWaalsContact CB-SG 3.6Å; W181-D206 HydrophobicContact CB-CB 3.95Å; W181-D206 HydrophobicContact CG-CB 4.06Å; W181-A207 HydrophobicContact CD2-CB 3.42Å; W181-A207 VanDerWaalsContact CD2-CB 3.42Å; W181-A207 HydrophobicContact CE3-CB 3.42Å; W181-A207 VanDerWaalsContact CE3-CB 3.42Å; W181-A207 HydrophobicContact CG-CB 4.04Å; W181-A207 HydrophobicContact CH2-CB 3.84Å; W181-A207 HydrophobicContact CZ2-CB 3.87Å; W181-A207 HydrophobicContact CZ3-CB 3.62Å; W181-T228 HydrophobicContact CH2-CG2 3.66Å; W181-T228 HydrophobicContact CZ2-CG2 3.57Å; W181-I229 HydrophobicContact CH2-CD1 3.93Å; W181-I229 HydrophobicContact CH2-CG1 4.22Å; W181-I229 HydrophobicContact CZ3-CD1 3.83Å; W181-I229 HydrophobicContact CZ3-CG1 4.48Å; W181-M331 HydrophobicContact CE3-CE 4.41Å; W181-M331 HydrophobicContact CZ3-CE 4.27Å; W181-L334 HydrophobicContact CE3-CB 4.26Å; W181-L334 HydrophobicContact CZ3-CB 4.31Å; W181-L334 HydrophobicContact CZ3-CD1 4.34Å; W181-L334 PolarHBondContact N-O 2.68Å; W181-C335 CarbonylContact O-C 3.21Å; W181-C335 VanDerWaalsContact O-CA 3.29Å; W181-C335 WeakPolarHBondContact O-CA 3.16Å; W181-D336 PolarHBondContact O-N 3.44Å; W181-D336 VanDerWaalsContact O-N 3.07Å
182	G	98.7	Very high	97.2	Very high	27 Å²	27	39 Å²	39	28%	0.278	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-75.9	172.8	0	0	0	0	0	110.4	D206 D336 Q337	G182-D206 WeakPolarHBondContact CA-OD2 3.19Å; G182-D206 PolarHBondContact N-OD2 3.2Å; G182-D336 WeakPolarHBondContact O-CB 3.47Å; G182-D336 PolarHBondContact O-N 2.93Å; G182-D336 VanDerWaalsContact O-N 3.11Å; G182-Q337 PolarHBondContact O-N 3.37Å
183	R	98.8	Very high	97.3	Very high	95 Å²	95	35.6 Å²	35.6	36%	0.358	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.9	-176.5	-68.4	-177.7	61.6	-130.7	-6.9	111.1	H205 D206 D339	R183-H205 PolarHBondContact NH2-NE2 2.99Å; R183-H205 VanDerWaalsContact NH2-NE2 3.15Å; R183-H205 WeakPolarHBondContact O-CB 3.1Å; R183-D206 PolarHBondContact N-OD2 2.78Å; R183-D206 WeakPolarHBondContact O-CB 3.21Å; R183-D206 PolarHBondContact O-N 2.61Å; R183-D339 IonicContact NH2-OD2 3.17Å; R183-D339 PolarHBondContact NH2-OD2 3.11Å; R183-D339 VanDerWaalsContact NH2-OD2 3.17Å
184	C	98.9	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.3	179.9	-66.3	0	0	0	0	112.2	W181 H205 A207 M331 C335 Q337 V338 D339	W181-C184 VanDerWaalsContact CB-SG 3.6Å; C184-H205 PolarHBondContact O-CD2 2.64Å; C184-A207 CarbonylContact C-O 3.6Å; C184-A207 WeakPolarHBondContact CA-O 3.44Å; C184-M331 HydrophobicContact CB-CE 3.53Å; C184-C335 HydrophobicContact CB-CB 3.68Å; C184-C335 WeakPolarHBondContact CB-SG 3.31Å; C184-C335 WeakPolarHBondContact SG-CB 3.29Å; C184-C335 CovalentContact SG-SG 2.02Å; C184-C335 PolarHBondContact SG-SG 2.82Å; C184-Q337 PolarHBondContact N-O 2.97Å; C184-V338 WeakPolarHBondContact O-CA 3.24Å; C184-D339 PolarHBondContact O-N 2.98Å
185	A	99	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.8	172.9	0	0	0	0	0	111.5	I202 H205 A207 V208 L209 D339 Y341	A185-I202 HydrophobicContact CB-CG2 4.32Å; A185-H205 HydrophobicContact CB-CB 4.11Å; A185-A207 PolarHBondContact N-O 3.14Å; A185-V208 HydrophobicContact CB-CG2 4.25Å; A185-V208 CarbonylContact O-C 3.55Å; A185-V208 WeakPolarHBondContact O-CA 3.47Å; A185-L209 PolarHBondContact O-N 3.33Å; A185-D339 CarbonylContact C-O 3.54Å; A185-D339 VanDerWaalsContact CA-O 3.27Å; A185-D339 WeakPolarHBondContact CA-O 3.39Å; A185-Y341 HydrophobicContact CB-CD2 4.19Å; A185-Y341 HydrophobicContact CB-CE2 3.79Å
186	V	99	Very high	97.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.3	163.1	175.1	0	0	0	0	107.9	L209 F211 I328 M331 V338 D339 I340 Y341	V186-L209 HydrophobicContact CG1-CD2 4.27Å; V186-L209 HydrophobicContact CG2-CB 4.42Å; V186-F211 HydrophobicContact CG1-CE2 3.77Å; V186-F211 HydrophobicContact CG1-CZ 3.62Å; V186-I328 HydrophobicContact CG1-CG1 4.15Å; V186-I328 HydrophobicContact CG2-CG1 4.46Å; V186-M331 HydrophobicContact CG2-CB 3.95Å; V186-M331 HydrophobicContact CG2-CG 3.58Å; V186-V338 HydrophobicContact CB-CG1 4.46Å; V186-V338 HydrophobicContact CG2-CG1 3.62Å; V186-D339 PolarHBondContact N-O 3.49Å; V186-I340 HydrophobicContact CB-CG1 4.29Å; V186-I340 HydrophobicContact CB-CG2 4.25Å; V186-I340 HydrophobicContact CG1-CG2 4.3Å; V186-I340 WeakPolarHBondContact O-CA 3.41Å; V186-Y341 PolarHBondContact O-N 3.4Å
187	V	98.9	Very high	97.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.4	-179	-173.8	0	0	0	0	108.4	L193 I202 V208 L209 F211	V187-L193 HydrophobicContact CG1-CD1 3.93Å; V187-L193 HydrophobicContact CG1-CD2 4.43Å; V187-I202 HydrophobicContact CG1-CD1 4.29Å; V187-I202 HydrophobicContact CG2-CD1 3.98Å; V187-I202 HydrophobicContact CG2-CG1 4.24Å; V187-I202 HydrophobicContact CG2-CG2 3.66Å; V187-V208 HydrophobicContact CG2-CG1 3.74Å; V187-L209 PolarHBondContact N-O 2.7Å; V187-F211 VanDerWaalsContact O-CD2 3.24Å; V187-F211 WeakPolarHBondContact O-CD2 3.27Å; V187-F211 VanDerWaalsContact O-CE2 3.26Å; V187-F211 WeakPolarHBondContact O-CE2 3.39Å
188	S	98.8	Very high	98.1	Very high	11 Å²	11	34.3 Å²	34.3	8%	0.077	19%	0.194	C	C	.	.			trans	-61.2	174.8	174	97.2	0	0	0	0	110.9	A190 L193 Y341 E342	S188-A190 WeakPolarHBondContact OG-CB 3.44Å; S188-A190 PolarHBondContact OG-N 2.88Å; S188-A190 VanDerWaalsContact OG-N 3.08Å; S188-L193 WeakPolarHBondContact O-CD1 3.38Å; S188-Y341 VanDerWaalsContact CB-O 3.23Å; S188-Y341 WeakPolarHBondContact CB-O 3.16Å; S188-Y341 PolarHBondContact N-O 3.42Å; S188-Y341 VanDerWaalsContact N-O 3.08Å; S188-Y341 PolarHBondContact OG-O 3.49Å; S188-E342 WeakPolarHBondContact CB-O 3.31Å; S188-E342 VanDerWaalsContact OG-C 3.29Å; S188-E342 PolarHBondContact OG-O 2.82Å
189	S	98.8	Very high	98.2	Very high	15 Å²	15	34.3 Å²	34.3	11%	0.105	19%	0.194	C	C	.	.			trans	-100.7	6.2	173.7	-61	0	0	0	0	113.2	Y354 Y355	S189-Y354 WeakPolarHBondContact O-CA 3.46Å; S189-Y354 WeakPolarHBondContact O-CD1 3.45Å; S189-Y355 WeakPolarHBondContact O-CD1 3.35Å; S189-Y355 PolarHBondContact O-N 2.84Å
190	A	98.8	Very high	98.6	Very high	17 Å²	17	42.9 Å²	42.9	14%	0.14	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-61.4	148.7	-168.1	0	0	0	0	0	113.4	S188 S192 L193 E342	S188-A190 WeakPolarHBondContact OG-CB 3.44Å; S188-A190 PolarHBondContact OG-N 2.88Å; S188-A190 VanDerWaalsContact OG-N 3.08Å; A190-S192 PolarHBondContact O-N 3.3Å; A190-L193 PolarHBondContact O-N 3.44Å; A190-E342 HydrophobicContact CB-CB 4.31Å
191	G	98.8	Very high	98.8	Very high	5 Å²	5	41.2 Å²	41.2	5%	0.052	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22.1	173.8	0	0	0	0	0	114.4	L193 K194 V352 C353	G191-L193 PolarHBondContact O-N 2.89Å; G191-K194 WeakPolarHBondContact O-CB 3.31Å; G191-K194 PolarHBondContact O-N 3.07Å; G191-K194 VanDerWaalsContact O-N 3.11Å; G191-V352 VanDerWaalsContact CA-O 3.3Å; G191-V352 WeakPolarHBondContact CA-O 2.91Å; G191-V352 PolarHBondContact N-O 3.42Å; G191-C353 PolarHBondContact N-O 3.45Å
192	S	98.7	Very high	98.8	Very high	6 Å²	6	39 Å²	39	4%	0.042	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-68.8	-10.3	178.3	51.8	0	0	0	0	114.3	A190 K194 E342 R348	A190-S192 PolarHBondContact O-N 3.3Å; S192-K194 PolarHBondContact O-N 3.06Å; S192-E342 WeakPolarHBondContact CB-OE2 3.45Å; S192-E342 VanDerWaalsContact OG-CD 3.23Å; S192-E342 PolarHBondContact OG-OE2 2.84Å; S192-R348 VanDerWaalsContact CB-O 3.28Å; S192-R348 WeakPolarHBondContact CB-O 3.28Å; S192-R348 WeakPolarHBondContact O-CD 3.45Å; S192-R348 PolarHBondContact O-NE 3.4Å
193	L	98.8	Very high	98.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-67.9	-24	168.9	-76.5	163.8	0	0	0	112.7	V187 S188 A190 G191 S195 S196 L198 D222 V223 E342 Y355	V187-L193 HydrophobicContact CG1-CD1 3.93Å; V187-L193 HydrophobicContact CG1-CD2 4.43Å; S188-L193 WeakPolarHBondContact O-CD1 3.38Å; A190-L193 PolarHBondContact O-N 3.44Å; G191-L193 PolarHBondContact O-N 2.89Å; L193-S195 PolarHBondContact O-N 3.22Å; L193-S196 WeakPolarHBondContact O-CB 3.34Å; L193-S196 PolarHBondContact O-N 3.36Å; L193-S196 VanDerWaalsContact O-N 3.13Å; L193-S196 PolarHBondContact O-OG 2.88Å; L193-L198 HydrophobicContact CD2-CD1 4.1Å; L193-D222 WeakPolarHBondContact O-CB 3.48Å; L193-V223 HydrophobicContact CB-CG1 4.19Å; L193-V223 HydrophobicContact CD1-CG1 4.23Å; L193-E342 HydrophobicContact CD2-CB 3.96Å; L193-E342 HydrophobicContact CD2-CG 3.61Å; L193-E342 HydrophobicContact CG-CB 3.81Å; L193-E342 HydrophobicContact CG-CG 3.74Å; L193-Y355 HydrophobicContact CB-CD1 4.27Å; L193-Y355 HydrophobicContact CB-CG 4.46Å; L193-Y355 HydrophobicContact CD1-CD1 3.64Å; L193-Y355 HydrophobicContact CD1-CE1 3.95Å
194	K	98.3	Very high	98.8	Very high	134 Å²	134	39.9 Å²	39.9	58%	0.583	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	133.1	-177.9	-172.7	176.8	179.3	-177.6	0	111.3	G191 S192 S196	G191-K194 WeakPolarHBondContact O-CB 3.31Å; G191-K194 PolarHBondContact O-N 3.07Å; G191-K194 VanDerWaalsContact O-N 3.11Å; S192-K194 PolarHBondContact O-N 3.06Å; K194-S196 PolarHBondContact O-N 3.1Å
195	S	98.4	Very high	98.8	Very high	87 Å²	87	40 Å²	40	61%	0.608	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	22.5	-175.4	-58	0	0	0	0	114.2	L193 D222	L193-S195 PolarHBondContact O-N 3.22Å; S195-D222 VanDerWaalsContact C-OD1 3.31Å; S195-D222 WeakPolarHBondContact CA-OD1 3.32Å; S195-D222 PolarHBondContact N-OD1 2.85Å; S195-D222 VanDerWaalsContact N-OD1 3.14Å; S195-D222 PolarHBondContact N-OD2 2.8Å
196	S	98.7	Very high	98.8	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.112	22%	0.223	C	C	.	.			trans	-78.1	-24.9	177.5	68	0	0	0	0	112.9	L193 K194 L198 D222	L193-S196 WeakPolarHBondContact O-CB 3.34Å; L193-S196 PolarHBondContact O-N 3.36Å; L193-S196 VanDerWaalsContact O-N 3.13Å; L193-S196 PolarHBondContact O-OG 2.88Å; K194-S196 PolarHBondContact O-N 3.1Å; S196-L198 PolarHBondContact O-N 2.88Å; S196-L198 WeakPolarHBondContact OG-CD1 3.42Å; S196-L198 WeakPolarHBondContact OG-CG 3.41Å; S196-L198 PolarHBondContact OG-N 3.41Å; S196-D222 PolarHBondContact N-OD1 2.51Å; S196-D222 PolarHBondContact OG-O 3.4Å
197	Q	98.7	Very high	98.8	Very high	134 Å²	134	44 Å²	44	63%	0.626	22%	0.222	S	C	*	.			trans	58.9	22.3	-175.1	-50.4	-179.4	36.9	0	0	114.2	G199 Q221 D222	Q197-G199 PolarHBondContact O-N 3.11Å; Q197-Q221 CarbonylContact C-O 3.56Å; Q197-Q221 VanDerWaalsContact CA-O 3.24Å; Q197-Q221 WeakPolarHBondContact CA-O 3.47Å; Q197-Q221 HydrophobicContact CG-CG 4.39Å; Q197-D222 PolarHBondContact N-OD1 2.9Å
198	L	98.9	Very high	98.8	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6	-178	-68.3	166.6	0	0	0	113.6	L193 S196 R200 E201 I202 Y341 L393	L193-L198 HydrophobicContact CD2-CD1 4.1Å; S196-L198 PolarHBondContact O-N 2.88Å; S196-L198 WeakPolarHBondContact OG-CD1 3.42Å; S196-L198 WeakPolarHBondContact OG-CG 3.41Å; S196-L198 PolarHBondContact OG-N 3.41Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.77Å; L198-E201 PolarHBondContact O-N 2.98Å; L198-E201 VanDerWaalsContact O-N 3.13Å; L198-I202 HydrophobicContact CB-CD1 3.81Å; L198-I202 HydrophobicContact CB-CG1 4.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.18Å; L198-I202 PolarHBondContact O-N 3.43Å; L198-Y341 HydrophobicContact CD1-CD1 4.02Å; L198-Y341 HydrophobicContact CD2-CD1 4.22Å; L198-Y341 HydrophobicContact CD2-CE1 4.33Å; L198-L393 WeakPolarHBondContact CD1-O 3.39Å; L198-L393 HydrophobicContact CD2-CB 4.19Å; L198-L393 HydrophobicContact CD2-CD2 4.1Å
199	G	98.9	Very high	98.8	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-59.4	-39.1	-166.9	0	0	0	0	0	114.6	Q197 D203 Q220 Q221 G224	Q197-G199 PolarHBondContact O-N 3.11Å; G199-D203 WeakPolarHBondContact O-CB 3.45Å; G199-D203 PolarHBondContact O-N 3.38Å; G199-Q220 WeakPolarHBondContact CA-O 3.36Å; G199-Q221 WeakPolarHBondContact CA-O 3.32Å; G199-Q221 PolarHBondContact N-O 2.81Å; G199-G224 WeakPolarHBondContact O-CA 3.4Å
200	R	98.8	Very high	98.8	Very high	205 Å²	205	42.8 Å²	42.8	77%	0.774	21%	0.213	S	C	*	.	H	α-helix	trans	-68.4	-46.2	176.4	-164.7	179.5	-170.8	172.6	3.5	111.9	L198 I202 D203 D204	L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.77Å; R200-I202 VanDerWaalsContact C-N 3.3Å; R200-I202 PolarHBondContact O-N 3.46Å; R200-D203 PolarHBondContact O-N 3.2Å; R200-D204 VanDerWaalsContact O-CG 3.26Å; R200-D204 PolarHBondContact O-N 2.89Å; R200-D204 VanDerWaalsContact O-N 3.11Å
201	E	98.9	Very high	98.8	Very high	55 Å²	55	42.3 Å²	42.3	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-41.8	177	-178.9	175.2	158.7	0	0	111.1	L198 D204 H205 Y341 K395	L198-E201 PolarHBondContact O-N 2.98Å; L198-E201 VanDerWaalsContact O-N 3.13Å; E201-D204 PolarHBondContact O-N 2.68Å; E201-H205 PolarHBondContact O-CE1 2.93Å; E201-H205 PolarHBondContact O-ND1 2.82Å; E201-Y341 HydrophobicContact CG-CE1 4.42Å; E201-Y341 PolarHBondContact OE1-OH 2.88Å; E201-K395 WeakPolarHBondContact OE1-CD 3.5Å; E201-K395 IonicContact OE1-NZ 3.58Å; E201-K395 PolarHBondContact OE1-NZ 3.2Å
202	I	98.9	Very high	98.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-46.7	175.3	-70.6	165.3	0	0	0	110.9	A185 V187 L198 R200 D204 H205 V208 Y341	A185-I202 HydrophobicContact CB-CG2 4.32Å; V187-I202 HydrophobicContact CG1-CD1 4.29Å; V187-I202 HydrophobicContact CG2-CD1 3.98Å; V187-I202 HydrophobicContact CG2-CG1 4.24Å; V187-I202 HydrophobicContact CG2-CG2 3.66Å; L198-I202 HydrophobicContact CB-CD1 3.81Å; L198-I202 HydrophobicContact CB-CG1 4.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.18Å; L198-I202 PolarHBondContact O-N 3.43Å; R200-I202 VanDerWaalsContact C-N 3.3Å; R200-I202 PolarHBondContact O-N 3.46Å; I202-D204 PolarHBondContact O-N 3.33Å; I202-H205 PolarHBondContact O-N 3.25Å; I202-H205 PolarHBondContact O-ND1 3.15Å; I202-V208 HydrophobicContact CG2-CG1 3.99Å; I202-V208 HydrophobicContact CG2-CG2 4.03Å; I202-Y341 HydrophobicContact CG1-CD1 4.49Å; I202-Y341 HydrophobicContact CG1-CD2 4.05Å; I202-Y341 HydrophobicContact CG1-CE2 4.15Å; I202-Y341 HydrophobicContact CG1-CG 4.24Å
203	D	98.9	Very high	98.8	Very high	33 Å²	33	44 Å²	44	18%	0.176	22%	0.22	C	C	.	.	H	α-helix	trans	-70.7	-17.1	-177.2	-76.6	-13.3	0	0	0	113.9	G199 R200 H205 G224 T225 K226	G199-D203 WeakPolarHBondContact O-CB 3.45Å; G199-D203 PolarHBondContact O-N 3.38Å; R200-D203 PolarHBondContact O-N 3.2Å; D203-H205 PolarHBondContact O-N 3.03Å; D203-G224 WeakPolarHBondContact OD1-CA 3.27Å; D203-T225 VanDerWaalsContact CG-N 3.27Å; D203-T225 PolarHBondContact OD1-N 2.01Å; D203-T225 WeakPolarHBondContact OD2-CB 2.93Å; D203-T225 PolarHBondContact OD2-N 3.14Å; D203-T225 PolarHBondContact OD2-OG1 3.33Å; D203-K226 WeakPolarHBondContact O-CE 3.35Å; D203-K226 PolarHBondContact O-NZ 3.19Å; D203-K226 WeakPolarHBondContact OD1-CB 3.16Å; D203-K226 PolarHBondContact OD1-N 3.35Å
204	D	98.9	Very high	98.8	Very high	108 Å²	108	44.1 Å²	44.1	58%	0.578	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	1.1	174.6	-70	-20.5	0	0	0	113.8	R200 E201 I202	R200-D204 VanDerWaalsContact O-CG 3.26Å; R200-D204 PolarHBondContact O-N 2.89Å; R200-D204 VanDerWaalsContact O-N 3.11Å; E201-D204 PolarHBondContact O-N 2.68Å; I202-D204 PolarHBondContact O-N 3.33Å
205	H	98.9	Very high	98.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	20%	0.202	C	C	.	.	S	Bend	trans	-90.7	151.9	174.3	-60.5	73.1	0	0	0	111.4	R183 C184 A185 E201 I202 D203 A207 K226 D339 Y341	R183-H205 PolarHBondContact NH2-NE2 2.99Å; R183-H205 VanDerWaalsContact NH2-NE2 3.15Å; R183-H205 WeakPolarHBondContact O-CB 3.1Å; C184-H205 PolarHBondContact O-CD2 2.64Å; A185-H205 HydrophobicContact CB-CB 4.11Å; E201-H205 PolarHBondContact O-CE1 2.93Å; E201-H205 PolarHBondContact O-ND1 2.82Å; I202-H205 PolarHBondContact O-N 3.25Å; I202-H205 PolarHBondContact O-ND1 3.15Å; D203-H205 PolarHBondContact O-N 3.03Å; H205-A207 VanDerWaalsContact C-N 3.3Å; H205-A207 PolarHBondContact O-N 3.08Å; H205-K226 PolarHBondContact O-NZ 2.8Å; H205-D339 IonicContact CD2-OD2 3.99Å; H205-D339 IonicContact CE1-OD2 3Å; H205-D339 IonicContact NE2-OD2 2.79Å; H205-D339 PolarHBondContact NE2-OD2 3.04Å; H205-Y341 AromaticContact CE1-CE2 4Å; H205-Y341 AromaticContact CE1-CZ 3.87Å; H205-Y341 PolarHBondContact CE1-OH 3.11Å; H205-Y341 PolarHBondContact NE2-OH 3.01Å
206	D	98.8	Very high	98.8	Very high	87 Å²	87	36.3 Å²	36.3	47%	0.465	18%	0.181	S	C	.	.	S	Bend	trans	-61.1	-41.6	177.6	-59.4	-42.7	0	0	0	111.3	W181 G182 R183	W181-D206 HydrophobicContact CB-CB 3.95Å; W181-D206 HydrophobicContact CG-CB 4.06Å; G182-D206 WeakPolarHBondContact CA-OD2 3.19Å; G182-D206 PolarHBondContact N-OD2 3.2Å; R183-D206 PolarHBondContact N-OD2 2.78Å; R183-D206 WeakPolarHBondContact O-CB 3.21Å; R183-D206 PolarHBondContact O-N 2.61Å
207	A	98.9	Very high	98.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.3	179.1	0	0	0	0	0	112.8	W181 C184 A185 H205 T228 M331	W181-A207 HydrophobicContact CD2-CB 3.42Å; W181-A207 VanDerWaalsContact CD2-CB 3.42Å; W181-A207 HydrophobicContact CE3-CB 3.42Å; W181-A207 VanDerWaalsContact CE3-CB 3.42Å; W181-A207 HydrophobicContact CG-CB 4.04Å; W181-A207 HydrophobicContact CH2-CB 3.84Å; W181-A207 HydrophobicContact CZ2-CB 3.87Å; W181-A207 HydrophobicContact CZ3-CB 3.62Å; C184-A207 CarbonylContact C-O 3.6Å; C184-A207 WeakPolarHBondContact CA-O 3.44Å; A185-A207 PolarHBondContact N-O 3.14Å; H205-A207 VanDerWaalsContact C-N 3.3Å; H205-A207 PolarHBondContact O-N 3.08Å; A207-T228 WeakPolarHBondContact CA-OG1 3.46Å; A207-T228 HydrophobicContact CB-CG2 3.85Å; A207-M331 HydrophobicContact CB-CE 4.19Å
208	V	98.9	Very high	98.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.5	178.8	-178.9	0	0	0	0	110.1	A185 V187 I202 R210 K226 T228 I229	A185-V208 HydrophobicContact CB-CG2 4.25Å; A185-V208 CarbonylContact O-C 3.55Å; A185-V208 WeakPolarHBondContact O-CA 3.47Å; V187-V208 HydrophobicContact CG2-CG1 3.74Å; I202-V208 HydrophobicContact CG2-CG1 3.99Å; I202-V208 HydrophobicContact CG2-CG2 4.03Å; V208-R210 HydrophobicContact CG1-CG 4.21Å; V208-K226 HydrophobicContact CB-CB 4.43Å; V208-K226 WeakPolarHBondContact CG1-O 3.25Å; V208-K226 HydrophobicContact CG2-CB 4.02Å; V208-K226 HydrophobicContact CG2-CD 4.11Å; V208-K226 HydrophobicContact CG2-CG 4.27Å; V208-T228 PolarHBondContact N-OG1 3.41Å; V208-T228 VanDerWaalsContact N-OG1 3.08Å; V208-T228 PolarHBondContact O-N 2.86Å; V208-I229 PolarHBondContact O-N 3.43Å; V208-I229 VanDerWaalsContact O-N 3.1Å
209	L	98.9	Very high	98.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.6	172.8	-174.4	147	0	0	0	111.2	A185 V186 V187 F211 I229 M331	A185-L209 PolarHBondContact O-N 3.33Å; V186-L209 HydrophobicContact CG1-CD2 4.27Å; V186-L209 HydrophobicContact CG2-CB 4.42Å; V187-L209 PolarHBondContact N-O 2.7Å; L209-F211 HydrophobicContact CD2-CD1 4.04Å; L209-F211 HydrophobicContact CD2-CE1 3.29Å; L209-F211 HydrophobicContact CD2-CE2 3.91Å; L209-F211 HydrophobicContact CD2-CZ 3.23Å; L209-I229 CarbonylContact C-O 3.55Å; L209-I229 VanDerWaalsContact CA-O 3.28Å; L209-I229 WeakPolarHBondContact CA-O 3.29Å; L209-I229 HydrophobicContact CB-CB 4.38Å; L209-I229 HydrophobicContact CD1-CB 4.09Å; L209-I229 HydrophobicContact CD1-CG2 3.72Å; L209-I229 HydrophobicContact CG-CB 4.23Å; L209-I229 HydrophobicContact CG-CG2 4.19Å; L209-M331 HydrophobicContact CB-CE 4.23Å; L209-M331 HydrophobicContact CB-CG 3.85Å; L209-M331 HydrophobicContact CB-SD 3.77Å; L209-M331 HydrophobicContact CD1-CG 3.72Å; L209-M331 HydrophobicContact CD1-SD 3.63Å; L209-M331 HydrophobicContact CG-CG 4.34Å; L209-M331 HydrophobicContact CG-SD 4.32Å
210	R	98.9	Very high	98.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	168.8	176.1	-58.5	-175.1	-173.1	-84.9	-3.7	111.5	V208 V223 K226 T227 I229 R230 L231	V208-R210 HydrophobicContact CG1-CG 4.21Å; R210-V223 PolarHBondContact NH1-O 3.06Å; R210-V223 PolarHBondContact NH2-O 2.76Å; R210-K226 PolarHBondContact NE-O 3.43Å; R210-K226 PolarHBondContact NH2-O 3.14Å; R210-T227 HydrophobicContact CB-CG2 4.31Å; R210-T227 WeakPolarHBondContact CD-OG1 3.38Å; R210-T227 HydrophobicContact CG-CG2 4.24Å; R210-T227 PolarHBondContact NE-OG1 3.26Å; R210-I229 PolarHBondContact N-O 3.46Å; R210-R230 WeakPolarHBondContact O-CA 3.26Å; R210-L231 PolarHBondContact O-N 3.35Å
211	F	98.9	Very high	98.8	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.035	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.6	-173.6	-56.5	-75.3	0	0	0	113.2	V186 V187 L209 G213 A214 L231 S323	V186-F211 HydrophobicContact CG1-CE2 3.77Å; V186-F211 HydrophobicContact CG1-CZ 3.62Å; V187-F211 VanDerWaalsContact O-CD2 3.24Å; V187-F211 WeakPolarHBondContact O-CD2 3.27Å; V187-F211 VanDerWaalsContact O-CE2 3.26Å; V187-F211 WeakPolarHBondContact O-CE2 3.39Å; L209-F211 HydrophobicContact CD2-CD1 4.04Å; L209-F211 HydrophobicContact CD2-CE1 3.29Å; L209-F211 HydrophobicContact CD2-CE2 3.91Å; L209-F211 HydrophobicContact CD2-CZ 3.23Å; F211-G213 PolarHBondContact O-N 2.86Å; F211-A214 WeakPolarHBondContact O-CB 3.36Å; F211-A214 PolarHBondContact O-N 2.76Å; F211-L231 CarbonylContact C-O 3.49Å; F211-L231 VanDerWaalsContact CA-O 3.31Å; F211-L231 WeakPolarHBondContact CA-O 3.31Å; F211-L231 HydrophobicContact CD1-CB 4.11Å; F211-L231 HydrophobicContact CD1-CD2 4.38Å; F211-L231 HydrophobicContact CE1-CB 4.33Å; F211-L231 HydrophobicContact CE1-CD2 4.14Å; F211-S323 WeakPolarHBondContact CE1-O 3.41Å
212	N	98.8	Very high	98.8	Very high	29 Å²	29	40 Å²	40	16%	0.155	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-133.9	169.6	-64.6	-45.5	0	0	0	111.9	A214 R230 L231 M232 N233 L236	N212-A214 VanDerWaalsContact C-N 3.33Å; N212-A214 PolarHBondContact O-N 3.45Å; N212-R230 WeakPolarHBondContact O-CD 3.17Å; N212-R230 PolarHBondContact O-NH1 2.74Å; N212-L231 PolarHBondContact N-O 3.12Å; N212-M232 WeakPolarHBondContact OD1-CA 3.23Å; N212-N233 PolarHBondContact OD1-N 2.8Å; N212-N233 PolarHBondContact OD1-ND2 2.82Å; N212-L236 HydrophobicContact CB-CD1 3.58Å
213	G	98.5	Very high	98.8	Very high	18 Å²	18	40 Å²	40	19%	0.186	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	25	177.6	0	0	0	0	0	114.7	F211 P215 Y249	F211-G213 PolarHBondContact O-N 2.86Å; G213-P215 VanDerWaalsContact O-CD 3.25Å; G213-P215 WeakPolarHBondContact O-CD 3.26Å; G213-Y249 WeakPolarHBondContact CA-OH 3.43Å
214	A	98.7	Very high	98.8	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	21%	0.21	C	C	.	.			trans	-66.3	113.4	179.8	0	0	0	0	0	110.2	F211 N212 R230 Y355 Y356	F211-A214 WeakPolarHBondContact O-CB 3.36Å; F211-A214 PolarHBondContact O-N 2.76Å; N212-A214 VanDerWaalsContact C-N 3.33Å; N212-A214 PolarHBondContact O-N 3.45Å; A214-R230 PolarHBondContact O-NH1 3.17Å; A214-R230 PolarHBondContact O-NH2 3.12Å; A214-Y355 HydrophobicContact CB-CE1 4.29Å; A214-Y355 VanDerWaalsContact CB-OH 3.3Å; A214-Y355 WeakPolarHBondContact CB-OH 3.39Å; A214-Y356 HydrophobicContact CB-CD1 4.38Å; A214-Y356 HydrophobicContact CB-CE1 3.71Å
215	P	98.7	Very high	98.8	Very high	28 Å²	28	37 Å²	37	18%	0.182	21%	0.206	C	C	.	.			trans	-88.8	150.1	-171	35.6	-33.6	0	0	0	112.5	G213 F219 Y355 Y356	G213-P215 VanDerWaalsContact O-CD 3.25Å; G213-P215 WeakPolarHBondContact O-CD 3.26Å; P215-F219 HydrophobicContact CG-CD2 4.09Å; P215-F219 HydrophobicContact CG-CE2 4.02Å; P215-Y355 HydrophobicContact CG-CE2 4.4Å; P215-Y355 WeakPolarHBondContact O-CE2 3.3Å; P215-Y355 PolarHBondContact O-OH 3.33Å; P215-Y356 HydrophobicContact CG-CD1 4.48Å; P215-Y356 HydrophobicContact CG-CD2 4.46Å; P215-Y356 HydrophobicContact CG-CG 3.98Å
216	T	98.7	Very high	98.8	Very high	29 Å²	29	40.1 Å²	40.1	18%	0.178	22%	0.219	C	C	.	.			trans	-90.5	-36.1	170	49.6	0	0	0	0	112	N218 F219 Q220	T216-N218 PolarHBondContact O-N 3.22Å; T216-F219 PolarHBondContact O-N 3.08Å; T216-Q220 PolarHBondContact O-N 3.09Å; T216-Q220 PolarHBondContact O-OE1 3.18Å
217	A	98.5	Very high	98.8	Very high	54 Å²	54	36.2 Å²	36.2	45%	0.446	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	130.9	-179.4	0	0	0	0	0	112.2	F219	A217-F219 VanDerWaalsContact C-N 3.25Å; A217-F219 WeakPolarHBondContact O-CD2 3.34Å; A217-F219 PolarHBondContact O-N 3.32Å
218	N	98.4	Very high	98.8	Very high	146 Å²	146	37.6 Å²	37.6	78%	0.781	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	3.1	-173.2	-46.1	-66.2	0	0	0	115.7	T216 Q220	T216-N218 PolarHBondContact O-N 3.22Å; N218-Q220 VanDerWaalsContact CA-OE1 3.24Å
219	F	98.8	Very high	98.8	Very high	51 Å²	51	37.6 Å²	37.6	22%	0.224	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	7.7	-179	-59.5	-79.6	0	0	0	113	P215 T216 A217 Q221 D222 V223 Y355	P215-F219 HydrophobicContact CG-CD2 4.09Å; P215-F219 HydrophobicContact CG-CE2 4.02Å; T216-F219 PolarHBondContact O-N 3.08Å; A217-F219 VanDerWaalsContact C-N 3.25Å; A217-F219 WeakPolarHBondContact O-CD2 3.34Å; A217-F219 PolarHBondContact O-N 3.32Å; F219-Q221 VanDerWaalsContact C-N 3.26Å; F219-Q221 PolarHBondContact O-N 3.06Å; F219-Q221 VanDerWaalsContact O-N 3.1Å; F219-D222 PolarHBondContact O-N 3.27Å; F219-V223 HydrophobicContact CB-CG1 4.31Å; F219-V223 HydrophobicContact CB-CG2 3.68Å; F219-V223 WeakPolarHBondContact O-CG2 3.43Å; F219-V223 PolarHBondContact O-N 3.44Å; F219-Y355 HydrophobicContact CB-CD2 4.23Å; F219-Y355 HydrophobicContact CB-CE2 4.11Å; F219-Y355 AromaticContact CD1-CD2 3.76Å; F219-Y355 HydrophobicContact CD1-CD2 3.76Å; F219-Y355 HydrophobicContact CD1-CE2 4.34Å; F219-Y355 HydrophobicContact CD2-CD2 4.17Å; F219-Y355 AromaticContact CD2-CE2 3.99Å; F219-Y355 HydrophobicContact CD2-CE2 3.99Å; F219-Y355 HydrophobicContact CE1-CD2 4.14Å; F219-Y355 VanDerWaalsContact CE1-O 3.31Å; F219-Y355 WeakPolarHBondContact CE1-O 3.5Å; F219-Y355 AromaticContact CG-CD2 3.78Å; F219-Y355 HydrophobicContact CG-CD2 3.78Å; F219-Y355 AromaticContact CG-CE2 3.88Å; F219-Y355 HydrophobicContact CG-CE2 3.88Å
220	Q	98.8	Very high	98.8	Very high	91 Å²	91	37.7 Å²	37.7	43%	0.425	21%	0.207	S	C	.	.	H	α-helix	trans	-54.5	-38	-168.8	-60.8	94.1	-57.1	0	0	113.7	G199 T216 N218 D222 G224 T225	G199-Q220 WeakPolarHBondContact CA-O 3.36Å; T216-Q220 PolarHBondContact O-N 3.09Å; T216-Q220 PolarHBondContact O-OE1 3.18Å; N218-Q220 VanDerWaalsContact CA-OE1 3.24Å; Q220-D222 PolarHBondContact O-N 2.9Å; Q220-G224 VanDerWaalsContact O-CA 3.26Å; Q220-G224 WeakPolarHBondContact O-CA 3.49Å; Q220-G224 PolarHBondContact O-N 3.24Å; Q220-T225 HydrophobicContact CB-CG2 3.85Å; Q220-T225 HydrophobicContact CG-CG2 3.7Å
221	Q	98.8	Very high	98.8	Very high	133 Å²	133	37.6 Å²	37.6	62%	0.621	21%	0.207	S	C	*	.	H	α-helix	trans	-61.5	-34	178.1	-175.1	176.3	10.7	0	0	112.3	Q197 G199 F219	Q197-Q221 CarbonylContact C-O 3.56Å; Q197-Q221 VanDerWaalsContact CA-O 3.24Å; Q197-Q221 WeakPolarHBondContact CA-O 3.47Å; Q197-Q221 HydrophobicContact CG-CG 4.39Å; G199-Q221 WeakPolarHBondContact CA-O 3.32Å; G199-Q221 PolarHBondContact N-O 2.81Å; F219-Q221 VanDerWaalsContact C-N 3.26Å; F219-Q221 PolarHBondContact O-N 3.06Å; F219-Q221 VanDerWaalsContact O-N 3.1Å
222	D	98.9	Very high	98.8	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-94.6	-36.6	-175.8	-73.9	-28.8	0	0	0	112.7	L193 S195 S196 Q197 F219 Q220	L193-D222 WeakPolarHBondContact O-CB 3.48Å; S195-D222 VanDerWaalsContact C-OD1 3.31Å; S195-D222 WeakPolarHBondContact CA-OD1 3.32Å; S195-D222 PolarHBondContact N-OD1 2.85Å; S195-D222 VanDerWaalsContact N-OD1 3.14Å; S195-D222 PolarHBondContact N-OD2 2.8Å; S196-D222 PolarHBondContact N-OD1 2.51Å; S196-D222 PolarHBondContact OG-O 3.4Å; Q197-D222 PolarHBondContact N-OD1 2.9Å; F219-D222 PolarHBondContact O-N 3.27Å; Q220-D222 PolarHBondContact O-N 2.9Å
223	V	98.9	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-118.7	-3.6	-169.6	-50.1	0	0	0	0	114	L193 R210 F219 Y355	L193-V223 HydrophobicContact CB-CG1 4.19Å; L193-V223 HydrophobicContact CD1-CG1 4.23Å; R210-V223 PolarHBondContact NH1-O 3.06Å; R210-V223 PolarHBondContact NH2-O 2.76Å; F219-V223 HydrophobicContact CB-CG1 4.31Å; F219-V223 HydrophobicContact CB-CG2 3.68Å; F219-V223 WeakPolarHBondContact O-CG2 3.43Å; F219-V223 PolarHBondContact O-N 3.44Å; V223-Y355 HydrophobicContact CG1-CD1 4.23Å; V223-Y355 HydrophobicContact CG1-CD2 4.09Å; V223-Y355 HydrophobicContact CG1-CE1 4.09Å; V223-Y355 HydrophobicContact CG1-CE2 3.97Å; V223-Y355 HydrophobicContact CG1-CG 4.22Å; V223-Y355 HydrophobicContact CG2-CE2 4.34Å
224	G	98.8	Very high	98.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.			trans	79.8	-177.4	-177.3	0	0	0	0	0	112.8	G199 D203 Q220	G199-G224 WeakPolarHBondContact O-CA 3.4Å; D203-G224 WeakPolarHBondContact OD1-CA 3.27Å; Q220-G224 VanDerWaalsContact O-CA 3.26Å; Q220-G224 WeakPolarHBondContact O-CA 3.49Å; Q220-G224 PolarHBondContact O-N 3.24Å
225	T	98.8	Very high	98.8	Very high	78 Å²	78	40.9 Å²	40.9	48%	0.479	22%	0.217	S	C	.	.	S	Bend	trans	-112.6	-28.6	-174.4	61.1	0	0	0	0	113	D203 Q220	D203-T225 VanDerWaalsContact CG-N 3.27Å; D203-T225 PolarHBondContact OD1-N 2.01Å; D203-T225 WeakPolarHBondContact OD2-CB 2.93Å; D203-T225 PolarHBondContact OD2-N 3.14Å; D203-T225 PolarHBondContact OD2-OG1 3.33Å; Q220-T225 HydrophobicContact CB-CG2 3.85Å; Q220-T225 HydrophobicContact CG-CG2 3.7Å
226	K	98.7	Very high	98.8	Very high	67 Å²	67	40.5 Å²	40.5	29%	0.291	21%	0.213	S	C	.	.			trans	-78.2	136.2	-172.5	-165.4	-179	-51.9	176.6	0	112.2	D203 H205 V208 R210	D203-K226 WeakPolarHBondContact O-CE 3.35Å; D203-K226 PolarHBondContact O-NZ 3.19Å; D203-K226 WeakPolarHBondContact OD1-CB 3.16Å; D203-K226 PolarHBondContact OD1-N 3.35Å; H205-K226 PolarHBondContact O-NZ 2.8Å; V208-K226 HydrophobicContact CB-CB 4.43Å; V208-K226 WeakPolarHBondContact CG1-O 3.25Å; V208-K226 HydrophobicContact CG2-CB 4.02Å; V208-K226 HydrophobicContact CG2-CD 4.11Å; V208-K226 HydrophobicContact CG2-CG 4.27Å; R210-K226 PolarHBondContact NE-O 3.43Å; R210-K226 PolarHBondContact NH2-O 3.14Å
227	T	98.9	Very high	98.8	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	21%	0.205	C	C	.	.			trans	-130.3	108.3	164.1	-47.5	0	0	0	0	110.2	R210 R230 E251	R210-T227 HydrophobicContact CB-CG2 4.31Å; R210-T227 WeakPolarHBondContact CD-OG1 3.38Å; R210-T227 HydrophobicContact CG-CG2 4.24Å; R210-T227 PolarHBondContact NE-OG1 3.26Å; T227-R230 HydrophobicContact CG2-CB 4.28Å; T227-E251 WeakPolarHBondContact CB-OE2 3.15Å; T227-E251 PolarHBondContact N-OE1 2.97Å; T227-E251 PolarHBondContact OG1-OE2 3.02Å
228	T	98.9	Very high	98.8	Very high	30 Å²	30	38.4 Å²	38.4	18%	0.184	20%	0.195	C	C	.	.	S	Bend	trans	-95.4	-41.2	178.7	-45.1	0	0	0	0	111.6	W181 A207 V208 G252 I253	W181-T228 HydrophobicContact CH2-CG2 3.66Å; W181-T228 HydrophobicContact CZ2-CG2 3.57Å; A207-T228 WeakPolarHBondContact CA-OG1 3.46Å; A207-T228 HydrophobicContact CB-CG2 3.85Å; V208-T228 PolarHBondContact N-OG1 3.41Å; V208-T228 VanDerWaalsContact N-OG1 3.08Å; V208-T228 PolarHBondContact O-N 2.86Å; T228-G252 CarbonylContact O-C 3.49Å; T228-G252 WeakPolarHBondContact O-CA 3.22Å; T228-I253 PolarHBondContact O-N 2.94Å
229	I	98.9	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139	175.5	-58.8	-176.2	0	0	0	109	A178 W181 V208 L209 R210 I253 I255 M331 L334	A178-I229 HydrophobicContact CB-CD1 4.24Å; W181-I229 HydrophobicContact CH2-CD1 3.93Å; W181-I229 HydrophobicContact CH2-CG1 4.22Å; W181-I229 HydrophobicContact CZ3-CD1 3.83Å; W181-I229 HydrophobicContact CZ3-CG1 4.48Å; V208-I229 PolarHBondContact O-N 3.43Å; V208-I229 VanDerWaalsContact O-N 3.1Å; L209-I229 CarbonylContact C-O 3.55Å; L209-I229 VanDerWaalsContact CA-O 3.28Å; L209-I229 WeakPolarHBondContact CA-O 3.29Å; L209-I229 HydrophobicContact CB-CB 4.38Å; L209-I229 HydrophobicContact CD1-CB 4.09Å; L209-I229 HydrophobicContact CD1-CG2 3.72Å; L209-I229 HydrophobicContact CG-CB 4.23Å; L209-I229 HydrophobicContact CG-CG2 4.19Å; R210-I229 PolarHBondContact N-O 3.46Å; I229-I253 CarbonylContact C-O 3.59Å; I229-I253 WeakPolarHBondContact CA-O 3.37Å; I229-I253 HydrophobicContact CG1-CB 4.33Å; I229-I255 HydrophobicContact CG2-CD1 3.77Å; I229-I255 HydrophobicContact CG2-CG1 4.25Å; I229-M331 HydrophobicContact CD1-SD 3.95Å; I229-L334 HydrophobicContact CD1-CD1 3.79Å
230	R	98.9	Very high	98.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.2	170.6	-179.5	176.2	-68.2	-78.2	-1.9	110.6	R210 N212 A214 T227 M232 I253 L254 I255	R210-R230 WeakPolarHBondContact O-CA 3.26Å; N212-R230 WeakPolarHBondContact O-CD 3.17Å; N212-R230 PolarHBondContact O-NH1 2.74Å; A214-R230 PolarHBondContact O-NH1 3.17Å; A214-R230 PolarHBondContact O-NH2 3.12Å; T227-R230 HydrophobicContact CG2-CB 4.28Å; R230-M232 HydrophobicContact CG-CG 3.97Å; R230-M232 HydrophobicContact CG-SD 4.4Å; R230-I253 PolarHBondContact N-O 3.04Å; R230-L254 HydrophobicContact CB-CD2 3.71Å; R230-L254 HydrophobicContact CG-CD2 4.26Å; R230-I255 PolarHBondContact O-N 3.03Å
231	L	98.9	Very high	98.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.1	175.2	179.8	64.9	0	0	0	110	R210 F211 N212 I255 W257 S323 L326 I330	R210-L231 PolarHBondContact O-N 3.35Å; F211-L231 CarbonylContact C-O 3.49Å; F211-L231 VanDerWaalsContact CA-O 3.31Å; F211-L231 WeakPolarHBondContact CA-O 3.31Å; F211-L231 HydrophobicContact CD1-CB 4.11Å; F211-L231 HydrophobicContact CD1-CD2 4.38Å; F211-L231 HydrophobicContact CE1-CB 4.33Å; F211-L231 HydrophobicContact CE1-CD2 4.14Å; N212-L231 PolarHBondContact N-O 3.12Å; L231-I255 CarbonylContact C-O 3.6Å; L231-I255 WeakPolarHBondContact CA-O 3.41Å; L231-I255 HydrophobicContact CD1-CB 3.78Å; L231-I255 HydrophobicContact CD1-CG2 3.63Å; L231-W257 HydrophobicContact CD1-CG 4.43Å; L231-S323 WeakPolarHBondContact CD2-O 3.48Å; L231-L326 HydrophobicContact CD2-CB 3.96Å; L231-I330 HydrophobicContact CD1-CD1 4.35Å; L231-I330 HydrophobicContact CD2-CD1 4.22Å
232	M	98.9	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.6	-176.7	-56.7	173.4	-70.9	0	0	110.5	N212 R230 L236 V237 F243 Y249 L254 I255 V256 W257 F293	N212-M232 WeakPolarHBondContact OD1-CA 3.23Å; R230-M232 HydrophobicContact CG-CG 3.97Å; R230-M232 HydrophobicContact CG-SD 4.4Å; M232-L236 HydrophobicContact SD-CD2 4.19Å; M232-V237 HydrophobicContact CB-CG2 4.39Å; M232-F243 HydrophobicContact CE-CE2 3.94Å; M232-F243 HydrophobicContact SD-CD2 4.14Å; M232-F243 HydrophobicContact SD-CE2 3.91Å; M232-Y249 HydrophobicContact SD-CD1 3.59Å; M232-Y249 VanDerWaalsContact SD-CD1 3.59Å; M232-Y249 HydrophobicContact SD-CE1 3.72Å; M232-L254 HydrophobicContact CE-CB 3.82Å; M232-L254 HydrophobicContact CE-CD1 3.98Å; M232-L254 HydrophobicContact CE-CD2 3.97Å; M232-L254 HydrophobicContact CE-CG 4.13Å; M232-I255 PolarHBondContact N-O 3.09Å; M232-V256 VanDerWaalsContact O-CA 3.29Å; M232-V256 WeakPolarHBondContact O-CA 3.44Å; M232-W257 PolarHBondContact O-N 3.42Å; M232-F293 HydrophobicContact CE-CE1 3.87Å; M232-F293 HydrophobicContact CE-CE2 4.41Å; M232-F293 HydrophobicContact CE-CZ 3.6Å
233	N	98.9	Very high	98.5	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	156.5	167.9	64.9	44.8	0	0	0	111.3	N212 Q235 L236 V237 W257	N212-N233 PolarHBondContact OD1-N 2.8Å; N212-N233 PolarHBondContact OD1-ND2 2.82Å; N233-Q235 VanDerWaalsContact C-N 3.28Å; N233-Q235 PolarHBondContact O-N 2.99Å; N233-Q235 WeakPolarHBondContact OD1-CB 3.35Å; N233-Q235 PolarHBondContact OD1-N 3.21Å; N233-L236 PolarHBondContact O-N 2.76Å; N233-L236 WeakPolarHBondContact OD1-CB 3.43Å; N233-L236 PolarHBondContact OD1-N 2.77Å; N233-V237 PolarHBondContact O-N 3.45Å; N233-W257 CarbonylContact C-O 3.43Å; N233-W257 HydrophobicContact CB-CZ2 4.43Å
234	S	98.9	Very high	98.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-33.4	177.1	55.8	0	0	0	0	113.2	L236 V237 T238 W257 D258	S234-L236 VanDerWaalsContact C-N 3.3Å; S234-L236 PolarHBondContact O-N 2.73Å; S234-V237 PolarHBondContact O-N 2.81Å; S234-T238 WeakPolarHBondContact O-CB 3.02Å; S234-T238 PolarHBondContact O-N 3Å; S234-T238 PolarHBondContact O-OG1 3.11Å; S234-T238 VanDerWaalsContact O-OG1 3.09Å; S234-W257 PolarHBondContact N-O 3.28Å; S234-D258 WeakPolarHBondContact CB-OD1 3.49Å; S234-D258 PolarHBondContact OG-OD1 3.43Å
235	Q	98.8	Very high	98.4	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-55.5	-45.6	176	-180	-175.4	43.5	0	0	111.6	N233 T238 T239 Y275	N233-Q235 VanDerWaalsContact C-N 3.28Å; N233-Q235 PolarHBondContact O-N 2.99Å; N233-Q235 WeakPolarHBondContact OD1-CB 3.35Å; N233-Q235 PolarHBondContact OD1-N 3.21Å; Q235-T238 PolarHBondContact O-N 2.77Å; Q235-T239 WeakPolarHBondContact O-CB 3.34Å; Q235-T239 PolarHBondContact O-N 3.22Å; Q235-T239 PolarHBondContact O-OG1 2.97Å; Q235-Y275 HydrophobicContact CB-CD1 4.25Å; Q235-Y275 HydrophobicContact CB-CD2 3.79Å; Q235-Y275 HydrophobicContact CB-CE1 4.16Å; Q235-Y275 HydrophobicContact CB-CE2 3.67Å; Q235-Y275 HydrophobicContact CB-CG 4.09Å; Q235-Y275 HydrophobicContact CG-CD1 4.31Å; Q235-Y275 HydrophobicContact CG-CD2 4.44Å; Q235-Y275 HydrophobicContact CG-CE1 3.81Å; Q235-Y275 HydrophobicContact CG-CE2 3.95Å; Q235-Y275 PolarHBondContact NE2-OH 3.41Å; Q235-Y275 VanDerWaalsContact NE2-OH 3.14Å
236	L	98.8	Very high	98.4	Very high	20 Å²	20	48.8 Å²	48.8	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-52.3	176.6	-177.8	153.6	0	0	0	110.1	N212 M232 N233 S234 T238 T239 E240 F243 Y249	N212-L236 HydrophobicContact CB-CD1 3.58Å; M232-L236 HydrophobicContact SD-CD2 4.19Å; N233-L236 PolarHBondContact O-N 2.76Å; N233-L236 WeakPolarHBondContact OD1-CB 3.43Å; N233-L236 PolarHBondContact OD1-N 2.77Å; S234-L236 VanDerWaalsContact C-N 3.3Å; S234-L236 PolarHBondContact O-N 2.73Å; L236-T238 PolarHBondContact O-N 2.95Å; L236-T239 PolarHBondContact O-N 2.84Å; L236-E240 HydrophobicContact CD2-CB 4.49Å; L236-E240 HydrophobicContact CG-CB 4.02Å; L236-E240 HydrophobicContact CG-CG 4.46Å; L236-E240 VanDerWaalsContact O-CB 3.27Å; L236-E240 WeakPolarHBondContact O-CB 3.28Å; L236-E240 PolarHBondContact O-N 3.47Å; L236-F243 HydrophobicContact CD2-CB 4.03Å; L236-F243 HydrophobicContact CD2-CD2 3.93Å; L236-F243 HydrophobicContact CD2-CG 4.17Å; L236-Y249 HydrophobicContact CD2-CE1 4.09Å
237	V	98.8	Very high	98.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-35.8	-178.3	177.9	0	0	0	0	111.4	M232 N233 S234 F243 V256 F277 N280	M232-V237 HydrophobicContact CB-CG2 4.39Å; N233-V237 PolarHBondContact O-N 3.45Å; S234-V237 PolarHBondContact O-N 2.81Å; V237-F243 HydrophobicContact CB-CE1 4.4Å; V237-F243 HydrophobicContact CG1-CD1 4.14Å; V237-F243 HydrophobicContact CG1-CE1 3.67Å; V237-F243 HydrophobicContact CG1-CZ 4.05Å; V237-F243 HydrophobicContact CG2-CE1 4.44Å; V237-F243 HydrophobicContact CG2-CE2 4.24Å; V237-F243 HydrophobicContact CG2-CZ 4.18Å; V237-V256 HydrophobicContact CB-CG2 4.29Å; V237-V256 HydrophobicContact CG2-CB 4.28Å; V237-V256 HydrophobicContact CG2-CG2 3.69Å; V237-F277 HydrophobicContact CB-CB 4.06Å; V237-F277 HydrophobicContact CG1-CB 3.84Å; V237-F277 HydrophobicContact CG1-CD2 4.44Å; V237-N280 HydrophobicContact CG1-CB 4.07Å; V237-N280 VanDerWaalsContact O-CB 3.27Å; V237-N280 WeakPolarHBondContact O-CB 3.46Å; V237-N280 PolarHBondContact O-ND2 2.62Å
238	T	98.8	Very high	98.3	Very high	39 Å²	39	51 Å²	51	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-77.7	-41.9	179	-63.4	0	0	0	0	113.4	S234 Q235 L236 Y275 N276 F277 N280	S234-T238 WeakPolarHBondContact O-CB 3.02Å; S234-T238 PolarHBondContact O-N 3Å; S234-T238 PolarHBondContact O-OG1 3.11Å; S234-T238 VanDerWaalsContact O-OG1 3.09Å; Q235-T238 PolarHBondContact O-N 2.77Å; L236-T238 PolarHBondContact O-N 2.95Å; T238-Y275 HydrophobicContact CG2-CD1 4.21Å; T238-N276 VanDerWaalsContact OG1-C 3.31Å; T238-N276 PolarHBondContact OG1-O 3.29Å; T238-F277 WeakPolarHBondContact OG1-CA 3.39Å; T238-F277 WeakPolarHBondContact OG1-CB 3.47Å; T238-F277 PolarHBondContact OG1-N 3.28Å; T238-N280 PolarHBondContact O-ND2 2.57Å; T238-N280 VanDerWaalsContact O-ND2 3.13Å
239	T	98.3	Very high	98.3	Very high	83 Å²	83	49.8 Å²	49.8	51%	0.509	25%	0.245	S	C	.	.	H	α-helix	trans	-112.6	-24	-163.5	67.8	0	0	0	0	115	Q235 L236 K241 Y275	Q235-T239 WeakPolarHBondContact O-CB 3.34Å; Q235-T239 PolarHBondContact O-N 3.22Å; Q235-T239 PolarHBondContact O-OG1 2.97Å; L236-T239 PolarHBondContact O-N 2.84Å; T239-K241 PolarHBondContact O-N 2.84Å; T239-Y275 HydrophobicContact CG2-CD1 4.19Å; T239-Y275 HydrophobicContact CG2-CE1 4.1Å
240	E	97.6	Very high	98.2	Very high	55 Å²	55	53.2 Å²	53.2	26%	0.257	26%	0.263	S	S	.	.			trans	-83.6	103.7	-178.6	177.3	53.3	-96.6	0	0	110.2	L236 R242 F243	L236-E240 HydrophobicContact CD2-CB 4.49Å; L236-E240 HydrophobicContact CG-CB 4.02Å; L236-E240 HydrophobicContact CG-CG 4.46Å; L236-E240 VanDerWaalsContact O-CB 3.27Å; L236-E240 WeakPolarHBondContact O-CB 3.28Å; L236-E240 PolarHBondContact O-N 3.47Å; E240-R242 HydrophobicContact CG-CB 4.08Å; E240-R242 PolarHBondContact O-N 3.25Å; E240-R242 VanDerWaalsContact O-N 3.09Å; E240-R242 VanDerWaalsContact OE1-CB 3.28Å; E240-R242 WeakPolarHBondContact OE1-CB 3.32Å; E240-R242 WeakPolarHBondContact OE1-CG 3.38Å; E240-R242 IonicContact OE1-CZ 3.99Å; E240-R242 PolarHBondContact OE1-N 2.88Å; E240-R242 IonicContact OE1-NE 3.08Å; E240-R242 PolarHBondContact OE1-NE 3.29Å; E240-R242 VanDerWaalsContact OE1-NE 3.08Å; E240-R242 IonicContact OE2-CZ 3.45Å; E240-R242 IonicContact OE2-NE 3.29Å; E240-R242 PolarHBondContact OE2-NE 3.43Å; E240-R242 IonicContact OE2-NH2 2.76Å; E240-R242 PolarHBondContact OE2-NH2 2.95Å; E240-F243 VanDerWaalsContact O-CB 3.23Å; E240-F243 WeakPolarHBondContact O-CB 3.42Å; E240-F243 PolarHBondContact O-N 3.32Å
241	K	95.4	Very high	98.2	Very high	175 Å²	175	56.7 Å²	56.7	76%	0.761	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.4	-179.6	-65.1	-177.1	-179.9	-179.7	0	113.3	T239 F243	T239-K241 PolarHBondContact O-N 2.84Å; K241-F243 VanDerWaalsContact C-N 3.28Å
242	R	97	Very high	98.2	Very high	137 Å²	137	58.1 Å²	58.1	52%	0.517	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.9	176.2	-66.4	179.2	-67.9	160.4	2	113.1	E240 L244 K245 D246	E240-R242 HydrophobicContact CG-CB 4.08Å; E240-R242 PolarHBondContact O-N 3.25Å; E240-R242 VanDerWaalsContact O-N 3.09Å; E240-R242 VanDerWaalsContact OE1-CB 3.28Å; E240-R242 WeakPolarHBondContact OE1-CB 3.32Å; E240-R242 WeakPolarHBondContact OE1-CG 3.38Å; E240-R242 IonicContact OE1-CZ 3.99Å; E240-R242 PolarHBondContact OE1-N 2.88Å; E240-R242 IonicContact OE1-NE 3.08Å; E240-R242 PolarHBondContact OE1-NE 3.29Å; E240-R242 VanDerWaalsContact OE1-NE 3.08Å; E240-R242 IonicContact OE2-CZ 3.45Å; E240-R242 IonicContact OE2-NE 3.29Å; E240-R242 PolarHBondContact OE2-NE 3.43Å; E240-R242 IonicContact OE2-NH2 2.76Å; E240-R242 PolarHBondContact OE2-NH2 2.95Å; R242-L244 VanDerWaalsContact C-N 3.28Å; R242-L244 PolarHBondContact O-N 3.48Å; R242-K245 PolarHBondContact O-N 3.2Å; R242-D246 HydrophobicContact CB-CB 4.3Å; R242-D246 VanDerWaalsContact O-CB 3.3Å; R242-D246 WeakPolarHBondContact O-CB 3.3Å; R242-D246 PolarHBondContact O-N 3.45Å
243	F	98.5	Very high	98.2	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-41.7	178.4	168.5	-109.8	0	0	0	112.7	M232 L236 V237 E240 K241 K245 Y249 Y284 F293	M232-F243 HydrophobicContact CE-CE2 3.94Å; M232-F243 HydrophobicContact SD-CD2 4.14Å; M232-F243 HydrophobicContact SD-CE2 3.91Å; L236-F243 HydrophobicContact CD2-CB 4.03Å; L236-F243 HydrophobicContact CD2-CD2 3.93Å; L236-F243 HydrophobicContact CD2-CG 4.17Å; V237-F243 HydrophobicContact CB-CE1 4.4Å; V237-F243 HydrophobicContact CG1-CD1 4.14Å; V237-F243 HydrophobicContact CG1-CE1 3.67Å; V237-F243 HydrophobicContact CG1-CZ 4.05Å; V237-F243 HydrophobicContact CG2-CE1 4.44Å; V237-F243 HydrophobicContact CG2-CE2 4.24Å; V237-F243 HydrophobicContact CG2-CZ 4.18Å; E240-F243 VanDerWaalsContact O-CB 3.23Å; E240-F243 WeakPolarHBondContact O-CB 3.42Å; E240-F243 PolarHBondContact O-N 3.32Å; K241-F243 VanDerWaalsContact C-N 3.28Å; F243-K245 VanDerWaalsContact C-N 3.28Å; F243-K245 PolarHBondContact O-N 3.14Å; F243-Y249 HydrophobicContact CB-CE2 4.48Å; F243-Y249 HydrophobicContact CD2-CD1 4.04Å; F243-Y249 HydrophobicContact CD2-CD2 4.28Å; F243-Y249 HydrophobicContact CD2-CE1 4.27Å; F243-Y249 HydrophobicContact CD2-CG 4.05Å; F243-Y249 HydrophobicContact CE2-CD1 4.47Å; F243-Y284 HydrophobicContact CD1-CD2 4.49Å; F243-Y284 AromaticContact CE1-CD2 3.77Å; F243-Y284 HydrophobicContact CE1-CD2 3.77Å; F243-Y284 HydrophobicContact CE1-CG 4.1Å; F243-Y284 AromaticContact CE2-CD2 3.85Å; F243-Y284 HydrophobicContact CE2-CD2 3.85Å; F243-Y284 HydrophobicContact CE2-CE2 4.06Å; F243-Y284 HydrophobicContact CE2-CG 4.46Å; F243-Y284 AromaticContact CZ-CD2 3.4Å; F243-Y284 HydrophobicContact CZ-CD2 3.4Å; F243-Y284 VanDerWaalsContact CZ-CD2 3.4Å; F243-Y284 HydrophobicContact CZ-CE2 4.07Å; F243-Y284 AromaticContact CZ-CG 3.69Å; F243-Y284 HydrophobicContact CZ-CG 3.69Å; F243-F293 AromaticContact CE2-CE1 3.94Å; F243-F293 HydrophobicContact CE2-CE1 3.94Å; F243-F293 HydrophobicContact CE2-CZ 4.22Å; F243-F293 AromaticContact CZ-CE1 3.57Å; F243-F293 HydrophobicContact CZ-CE1 3.57Å; F243-F293 AromaticContact CZ-CZ 3.8Å; F243-F293 HydrophobicContact CZ-CZ 3.8Å
244	L	98.2	Very high	98.2	Very high	57 Å²	57	57.1 Å²	57.1	30%	0.298	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	9	178.4	-61.1	178.1	0	0	0	113.9	R242 Y284	R242-L244 VanDerWaalsContact C-N 3.28Å; R242-L244 PolarHBondContact O-N 3.48Å; L244-Y284 HydrophobicContact CD2-CD2 4.08Å; L244-Y284 HydrophobicContact CD2-CG 4.48Å
245	K	97.8	Very high	98.2	Very high	173 Å²	173	57 Å²	57	75%	0.752	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	-39.5	-170.2	-62.7	-173.6	178.9	-168.8	0	114.3	R242 F243	R242-K245 PolarHBondContact O-N 3.2Å; F243-K245 VanDerWaalsContact C-N 3.28Å; F243-K245 PolarHBondContact O-N 3.14Å
246	D	97.9	Very high	98.2	Very high	56 Å²	56	52.8 Å²	52.8	30%	0.299	27%	0.269	S	S	.	.			trans	-79.6	125.6	-172.4	-161.2	-31.7	0	0	0	109.8	R242 L248 Y249	R242-D246 HydrophobicContact CB-CB 4.3Å; R242-D246 VanDerWaalsContact O-CB 3.3Å; R242-D246 WeakPolarHBondContact O-CB 3.3Å; R242-D246 PolarHBondContact O-N 3.45Å; D246-L248 HydrophobicContact CB-CD2 4.27Å; D246-L248 HydrophobicContact CB-CG 4.39Å; D246-L248 PolarHBondContact O-N 2.95Å; D246-L248 VanDerWaalsContact O-N 3.08Å; D246-L248 PolarHBondContact OD1-N 3.2Å; D246-Y249 HydrophobicContact CB-CD2 4.1Å; D246-Y249 HydrophobicContact CB-CE2 4.09Å; D246-Y249 PolarHBondContact O-N 2.87Å
247	S	97.9	Very high	98.2	Very high	88 Å²	88	52 Å²	52	62%	0.615	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-64.7	-14.5	-176.8	57	0	0	0	0	113.2	Y249 N250	S247-Y249 PolarHBondContact O-N 3.22Å; S247-N250 WeakPolarHBondContact O-CB 3.3Å; S247-N250 PolarHBondContact O-N 3.02Å
248	L	97.9	Very high	98.2	Very high	31 Å²	31	52.2 Å²	52.2	16%	0.162	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-56.8	-29.5	176.6	86.3	86.4	0	0	0	112.9	D246 N250	D246-L248 HydrophobicContact CB-CD2 4.27Å; D246-L248 HydrophobicContact CB-CG 4.39Å; D246-L248 PolarHBondContact O-N 2.95Å; D246-L248 VanDerWaalsContact O-N 3.08Å; D246-L248 PolarHBondContact OD1-N 3.2Å; L248-N250 VanDerWaalsContact C-N 3.32Å
249	Y	98.7	Very high	98.2	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.016	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-80.9	-16.3	-179.3	-61.7	-74.6	0	0	0	112	G213 M232 L236 F243 D246 S247 E251 L254 Y284 Q291	G213-Y249 WeakPolarHBondContact CA-OH 3.43Å; M232-Y249 HydrophobicContact SD-CD1 3.59Å; M232-Y249 VanDerWaalsContact SD-CD1 3.59Å; M232-Y249 HydrophobicContact SD-CE1 3.72Å; L236-Y249 HydrophobicContact CD2-CE1 4.09Å; F243-Y249 HydrophobicContact CB-CE2 4.48Å; F243-Y249 HydrophobicContact CD2-CD1 4.04Å; F243-Y249 HydrophobicContact CD2-CD2 4.28Å; F243-Y249 HydrophobicContact CD2-CE1 4.27Å; F243-Y249 HydrophobicContact CD2-CG 4.05Å; F243-Y249 HydrophobicContact CE2-CD1 4.47Å; D246-Y249 HydrophobicContact CB-CD2 4.1Å; D246-Y249 HydrophobicContact CB-CE2 4.09Å; D246-Y249 PolarHBondContact O-N 2.87Å; S247-Y249 PolarHBondContact O-N 3.22Å; Y249-E251 PolarHBondContact O-N 3.49Å; Y249-L254 WeakPolarHBondContact O-CD1 3.31Å; Y249-Y284 VanDerWaalsContact C-OH 3.23Å; Y249-Y284 PolarHBondContact O-OH 3.42Å; Y249-Q291 PolarHBondContact O-NE2 3.45Å
250	N	98.4	Very high	98.2	Very high	71 Å²	71	47 Å²	47	38%	0.38	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-78.8	-1.9	-174.8	-53.8	3.7	0	0	0	112.9	S247 L248 Y284 H288 Q291	S247-N250 WeakPolarHBondContact O-CB 3.3Å; S247-N250 PolarHBondContact O-N 3.02Å; L248-N250 VanDerWaalsContact C-N 3.32Å; N250-Y284 PolarHBondContact OD1-OH 2.84Å; N250-H288 PolarHBondContact ND2-CE1 3.44Å; N250-Q291 VanDerWaalsContact C-NE2 3.28Å; N250-Q291 PolarHBondContact O-NE2 3.36Å
251	E	97.9	Very high	98.3	Very high	75 Å²	75	46.5 Å²	46.5	35%	0.35	23%	0.234	S	C	.	.	S	Bend	trans	-96.5	134.3	179.9	-163.6	-168.4	167.9	0	0	111.4	T227 Y249 Q291	T227-E251 WeakPolarHBondContact CB-OE2 3.15Å; T227-E251 PolarHBondContact N-OE1 2.97Å; T227-E251 PolarHBondContact OG1-OE2 3.02Å; Y249-E251 PolarHBondContact O-N 3.49Å; E251-Q291 PolarHBondContact O-NE2 2.86Å
252	G	98.3	Very high	98.4	Very high	30 Å²	30	39.3 Å²	39.3	31%	0.309	20%	0.202	S	C	.	.	S	Bend	trans	70.3	-162.2	171.5	0	0	0	0	0	114.7	T228 Q291	T228-G252 CarbonylContact O-C 3.49Å; T228-G252 WeakPolarHBondContact O-CA 3.22Å; G252-Q291 VanDerWaalsContact O-CG 3.24Å; G252-Q291 WeakPolarHBondContact O-CG 3.41Å; G252-Q291 PolarHBondContact O-NE2 2.97Å
253	I	98.9	Very high	98.4	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.6	178.8	-61.8	170.9	0	0	0	109.3	I174 K177 A178 T228 I229 R230 I255 P292 Y294	I174-I253 HydrophobicContact CD1-CG2 4.38Å; K177-I253 HydrophobicContact CB-CD1 4.09Å; A178-I253 HydrophobicContact CB-CD1 3.72Å; T228-I253 PolarHBondContact O-N 2.94Å; I229-I253 CarbonylContact C-O 3.59Å; I229-I253 WeakPolarHBondContact CA-O 3.37Å; I229-I253 HydrophobicContact CG1-CB 4.33Å; R230-I253 PolarHBondContact N-O 3.04Å; I253-I255 HydrophobicContact CG2-CG1 4.49Å; I253-P292 HydrophobicContact CG1-CB 4.13Å; I253-P292 HydrophobicContact CG1-CG 4.21Å; I253-P292 HydrophobicContact CG2-CB 4.22Å; I253-Y294 HydrophobicContact CG2-CD2 3.72Å; I253-Y294 HydrophobicContact CG2-CE2 3.8Å
254	L	98.9	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.2	175.4	-61	-173.6	0	0	0	111.1	R230 M232 Y249 Y284 P292 F293 Y294	R230-L254 HydrophobicContact CB-CD2 3.71Å; R230-L254 HydrophobicContact CG-CD2 4.26Å; M232-L254 HydrophobicContact CE-CB 3.82Å; M232-L254 HydrophobicContact CE-CD1 3.98Å; M232-L254 HydrophobicContact CE-CD2 3.97Å; M232-L254 HydrophobicContact CE-CG 4.13Å; Y249-L254 WeakPolarHBondContact O-CD1 3.31Å; L254-Y284 HydrophobicContact CD1-CD1 4.41Å; L254-Y284 HydrophobicContact CD1-CE1 3.58Å; L254-Y284 HydrophobicContact CD1-CE2 4.28Å; L254-Y284 WeakPolarHBondContact CD1-OH 3.39Å; L254-P292 PolarHBondContact N-O 2.84Å; L254-F293 HydrophobicContact CB-CB 4.2Å; L254-F293 HydrophobicContact CB-CD1 3.45Å; L254-F293 VanDerWaalsContact CB-CD1 3.45Å; L254-F293 HydrophobicContact CB-CD2 4.14Å; L254-F293 HydrophobicContact CB-CE1 3.69Å; L254-F293 HydrophobicContact CB-CE2 4.41Å; L254-F293 HydrophobicContact CB-CG 3.68Å; L254-F293 HydrophobicContact CB-CZ 4.2Å; L254-F293 HydrophobicContact CD1-CD1 3.37Å; L254-F293 HydrophobicContact CD1-CE1 3.34Å; L254-F293 HydrophobicContact CD1-CG 4.41Å; L254-F293 HydrophobicContact CD1-CZ 4.41Å; L254-F293 HydrophobicContact CG-CD1 3.99Å; L254-F293 HydrophobicContact CG-CE1 4.15Å; L254-F293 CarbonylContact O-C 3.57Å; L254-F293 VanDerWaalsContact O-CA 3.3Å; L254-F293 WeakPolarHBondContact O-CA 3.05Å; L254-Y294 PolarHBondContact O-N 3.31Å
255	I	98.9	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.7	171.4	-52.7	173.8	0	0	0	107.5	M152 I174 I229 R230 L231 M232 I253 Y294 L296 I330	M152-I255 HydrophobicContact CE-CD1 3.98Å; M152-I255 HydrophobicContact CE-CG2 4.25Å; M152-I255 HydrophobicContact SD-CG2 4.05Å; I174-I255 HydrophobicContact CD1-CD1 3.61Å; I174-I255 HydrophobicContact CD1-CG1 4.13Å; I229-I255 HydrophobicContact CG2-CD1 3.77Å; I229-I255 HydrophobicContact CG2-CG1 4.25Å; R230-I255 PolarHBondContact O-N 3.03Å; L231-I255 CarbonylContact C-O 3.6Å; L231-I255 WeakPolarHBondContact CA-O 3.41Å; L231-I255 HydrophobicContact CD1-CB 3.78Å; L231-I255 HydrophobicContact CD1-CG2 3.63Å; M232-I255 PolarHBondContact N-O 3.09Å; I253-I255 HydrophobicContact CG2-CG1 4.49Å; I255-Y294 WeakPolarHBondContact CA-O 3.49Å; I255-L296 HydrophobicContact CG2-CB 4.28Å; I255-I330 HydrophobicContact CD1-CD1 4.32Å; I255-I330 HydrophobicContact CD1-CG2 4.35Å
256	V	98.9	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.4	167.5	67.4	0	0	0	0	110.3	M232 V237 F277 Y281 F293 Y294 I295 L296	M232-V256 VanDerWaalsContact O-CA 3.29Å; M232-V256 WeakPolarHBondContact O-CA 3.44Å; V237-V256 HydrophobicContact CB-CG2 4.29Å; V237-V256 HydrophobicContact CG2-CB 4.28Å; V237-V256 HydrophobicContact CG2-CG2 3.69Å; V256-F277 HydrophobicContact CB-CE2 4.5Å; V256-F277 HydrophobicContact CG1-CD2 3.89Å; V256-F277 HydrophobicContact CG1-CE2 3.43Å; V256-F277 VanDerWaalsContact CG1-CE2 3.43Å; V256-F277 HydrophobicContact CG1-CZ 4.07Å; V256-F277 HydrophobicContact CG2-CD2 4.06Å; V256-F277 HydrophobicContact CG2-CE2 4.25Å; V256-F277 HydrophobicContact CG2-CG 4.33Å; V256-Y281 HydrophobicContact CG1-CD2 4.12Å; V256-Y281 HydrophobicContact CG1-CE2 4.48Å; V256-F293 HydrophobicContact CB-CE2 3.84Å; V256-F293 HydrophobicContact CB-CZ 4.35Å; V256-F293 HydrophobicContact CG1-CE2 3.72Å; V256-Y294 PolarHBondContact N-O 3.14Å; V256-I295 HydrophobicContact CG1-CB 4.27Å; V256-I295 HydrophobicContact CG1-CG1 3.85Å; V256-I295 HydrophobicContact CG1-CG2 4.29Å; V256-I295 CarbonylContact O-C 3.52Å; V256-I295 WeakPolarHBondContact O-CA 3.48Å; V256-L296 PolarHBondContact O-N 3.35Å
257	W	98.9	Very high	98.4	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.6	170.5	75.8	-77.1	0	0	0	110.6	L231 M232 N233 S234 P259 L296 P301 P320 P321 S323 L326	L231-W257 HydrophobicContact CD1-CG 4.43Å; M232-W257 PolarHBondContact O-N 3.42Å; N233-W257 CarbonylContact C-O 3.43Å; N233-W257 HydrophobicContact CB-CZ2 4.43Å; S234-W257 PolarHBondContact N-O 3.28Å; W257-P259 HydrophobicContact CH2-CG 4.4Å; W257-P259 HydrophobicContact CZ3-CG 4.03Å; W257-L296 HydrophobicContact CB-CB 3.78Å; W257-L296 HydrophobicContact CB-CD2 3.75Å; W257-L296 HydrophobicContact CB-CG 4.39Å; W257-P301 HydrophobicContact CE3-CG 4Å; W257-P301 HydrophobicContact CZ3-CB 4.43Å; W257-P301 HydrophobicContact CZ3-CG 4.33Å; W257-P320 HydrophobicContact CH2-CB 4.2Å; W257-P320 HydrophobicContact CH2-CG 3.9Å; W257-P320 HydrophobicContact CZ3-CB 3.84Å; W257-P320 HydrophobicContact CZ3-CG 3.73Å; W257-P321 WeakPolarHBondContact CH2-O 3.33Å; W257-S323 WeakPolarHBondContact CZ2-OG 3.32Å; W257-S323 PolarHBondContact NE1-OG 3.27Å; W257-L326 HydrophobicContact CD2-CD1 3.42Å; W257-L326 VanDerWaalsContact CD2-CD1 3.42Å; W257-L326 HydrophobicContact CE3-CD1 3.54Å; W257-L326 HydrophobicContact CG-CD1 3.96Å; W257-L326 HydrophobicContact CH2-CD1 3.94Å; W257-L326 HydrophobicContact CZ2-CD1 3.87Å; W257-L326 HydrophobicContact CZ3-CD1 3.8Å
258	D	98.9	Very high	98.5	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.169	C	C	.	.			trans	-135.4	133.9	-178.8	-176.6	64.7	0	0	0	110	S234 S260 W269 P273 D274 Y275 F277	S234-D258 WeakPolarHBondContact CB-OD1 3.49Å; S234-D258 PolarHBondContact OG-OD1 3.43Å; D258-S260 PolarHBondContact O-N 2.79Å; D258-W269 HydrophobicContact CB-CZ2 3.95Å; D258-W269 PolarHBondContact OD2-NE1 2.55Å; D258-P273 VanDerWaalsContact OD2-CA 3.3Å; D258-P273 WeakPolarHBondContact OD2-CA 3.25Å; D258-P273 VanDerWaalsContact OD2-CB 3.31Å; D258-P273 WeakPolarHBondContact OD2-CB 3.33Å; D258-D274 PolarHBondContact OD1-N 3.1Å; D258-D274 PolarHBondContact OD2-N 3.4Å; D258-Y275 PolarHBondContact OD1-N 2.71Å; D258-F277 HydrophobicContact CB-CD1 4.26Å; D258-F277 HydrophobicContact CB-CE1 3.78Å
259	P	98.7	Very high	98.5	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.071	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-59.7	125.3	170.5	-25.1	35.6	0	0	0	111.9	Y122 W257 D274 P320	Y122-P259 HydrophobicContact CD1-CB 4.28Å; Y122-P259 HydrophobicContact CE1-CB 3.49Å; Y122-P259 VanDerWaalsContact CE1-CB 3.49Å; W257-P259 HydrophobicContact CH2-CG 4.4Å; W257-P259 HydrophobicContact CZ3-CG 4.03Å; P259-D274 HydrophobicContact CB-CB 4.11Å; P259-D274 HydrophobicContact CG-CB 4.37Å; P259-D274 WeakPolarHBondContact O-CB 3.38Å; P259-P320 HydrophobicContact CB-CG 3.87Å; P259-P320 HydrophobicContact CG-CG 3.87Å
260	S	98.7	Very high	98.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-99.1	168.4	171.3	65.5	0	0	0	0	111.3	Y122 D258 P298 W302	Y122-S260 VanDerWaalsContact CD1-O 3.24Å; Y122-S260 WeakPolarHBondContact CD1-O 3.32Å; D258-S260 PolarHBondContact O-N 2.79Å; S260-P298 PolarHBondContact OG-O 3.49Å; S260-W302 VanDerWaalsContact O-CZ2 3.23Å; S260-W302 WeakPolarHBondContact O-CZ2 3.32Å; S260-W302 PolarHBondContact O-NE1 3.05Å; S260-W302 VanDerWaalsContact OG-CD1 3.23Å; S260-W302 PolarHBondContact OG-NE1 3.44Å
261	V	98.6	Very high	98.5	Very high	45 Å²	45	36.8 Å²	36.8	27%	0.273	19%	0.186	S	C	.	.	S	Bend	trans	-59.3	141.2	161.4	175.2	0	0	0	0	108.3	K123 H263 S264	K123-V261 HydrophobicContact CB-CG1 4.41Å; K123-V261 HydrophobicContact CD-CG1 4.33Å; V261-H263 PolarHBondContact O-N 3.02Å; V261-S264 WeakPolarHBondContact O-CB 3.48Å; V261-S264 PolarHBondContact O-N 2.83Å
262	Y	98.6	Very high	98.5	Very high	24 Å²	24	38.4 Å²	38.4	9%	0.094	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	130.5	-178.6	179.9	-108.6	0	0	0	111.8	Y122 V124 S264 W302 W305 D306	Y122-Y262 WeakPolarHBondContact O-CB 3.36Å; Y122-Y262 PolarHBondContact O-N 3.41Å; V124-Y262 HydrophobicContact CB-CD2 4.44Å; V124-Y262 HydrophobicContact CB-CG 4.27Å; V124-Y262 HydrophobicContact CG1-CD2 4.1Å; V124-Y262 HydrophobicContact CG1-CE2 4.17Å; V124-Y262 HydrophobicContact CG1-CG 4.26Å; V124-Y262 HydrophobicContact CG2-CD2 4.08Å; V124-Y262 HydrophobicContact CG2-CG 4.1Å; Y262-S264 PolarHBondContact O-N 3.28Å; Y262-W302 HydrophobicContact CD2-CB 4.24Å; Y262-W302 AromaticContact CD2-CD2 3.79Å; Y262-W302 HydrophobicContact CD2-CD2 3.79Å; Y262-W302 AromaticContact CD2-CE3 3.59Å; Y262-W302 HydrophobicContact CD2-CE3 3.59Å; Y262-W302 HydrophobicContact CD2-CG 4.09Å; Y262-W302 HydrophobicContact CD2-CZ3 4.19Å; Y262-W302 HydrophobicContact CE2-CB 4.5Å; Y262-W302 HydrophobicContact CE2-CE3 4.25Å; Y262-W305 HydrophobicContact CE2-CE3 4.05Å; Y262-W305 HydrophobicContact CE2-CZ3 4.3Å; Y262-D306 WeakPolarHBondContact CE2-OD1 3.27Å; Y262-D306 PolarHBondContact OH-OD1 2.84Å
263	H	96.5	Very high	98.5	Very high	116 Å²	116	38 Å²	38	54%	0.537	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	27.2	-175.9	-65.1	179.3	0	0	0	114.7	V261 D306	V261-H263 PolarHBondContact O-N 3.02Å; H263-D306 IonicContact CE1-OD2 3.67Å; H263-D306 IonicContact NE2-OD1 3.95Å; H263-D306 IonicContact NE2-OD2 2.91Å; H263-D306 PolarHBondContact NE2-OD2 2.93Å
264	S	97.4	Very high	98.5	Very high	11 Å²	11	39.4 Å²	39.4	8%	0.077	20%	0.197	C	C	.	.			trans	-71.9	139.9	171.4	-175.2	0	0	0	0	111.8	V261 Y262 K268 W269	V261-S264 WeakPolarHBondContact O-CB 3.48Å; V261-S264 PolarHBondContact O-N 2.83Å; Y262-S264 PolarHBondContact O-N 3.28Å; S264-K268 VanDerWaalsContact OG-CB 3.31Å; S264-K268 WeakPolarHBondContact OG-CB 3.49Å; S264-W269 PolarHBondContact OG-N 2.84Å
265	D	98.2	Very high	98.5	Very high	59 Å²	59	43 Å²	43	32%	0.316	21%	0.211	S	C	.	.			trans	-74.9	167.6	165.4	56.8	47.2	0	0	0	111.8	P267 K268 W269	D265-P267 WeakPolarHBondContact OD1-CD 3.49Å; D265-K268 PolarHBondContact O-N 3.43Å; D265-K268 VanDerWaalsContact OD1-CB 3.25Å; D265-K268 WeakPolarHBondContact OD1-CB 3.34Å; D265-K268 WeakPolarHBondContact OD1-CD 3.47Å; D265-K268 VanDerWaalsContact OD1-CG 3.22Å; D265-K268 WeakPolarHBondContact OD1-CG 3.37Å; D265-K268 PolarHBondContact OD1-N 3.5Å; D265-K268 WeakPolarHBondContact OD2-CD 3.44Å; D265-K268 WeakPolarHBondContact OD2-CE 3.25Å; D265-K268 IonicContact OD2-NZ 2.84Å; D265-K268 PolarHBondContact OD2-NZ 2.89Å; D265-W269 WeakPolarHBondContact O-CB 3.31Å; D265-W269 PolarHBondContact O-N 3.02Å
266	I	98.8	Very high	98.5	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.046	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-48.6	-179.8	-68.2	171.7	0	0	0	111.8	D157 F158 F160 K268 W269 Y270 K297 P298	D157-I266 HydrophobicContact CB-CD1 3.78Å; F158-I266 WeakPolarHBondContact O-CG2 3.3Å; F160-I266 HydrophobicContact CD2-CG2 4.09Å; F160-I266 HydrophobicContact CE2-CG2 3.7Å; I266-K268 PolarHBondContact O-N 3.13Å; I266-W269 HydrophobicContact CG2-CE3 4.26Å; I266-W269 HydrophobicContact CG2-CZ3 4.44Å; I266-W269 PolarHBondContact O-N 3.29Å; I266-Y270 WeakPolarHBondContact O-CB 3.14Å; I266-Y270 PolarHBondContact O-N 3.39Å; I266-K297 HydrophobicContact CD1-CD 4.06Å; I266-K297 HydrophobicContact CD1-CG 4.37Å; I266-P298 HydrophobicContact CG1-CG 3.98Å
267	P	98.7	Very high	98.5	Very high	42 Å²	42	47.5 Å²	47.5	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-42.8	-177.7	-25.2	35.5	0	0	0	113.5	F158 D265 Y270 Q271	F158-P267 HydrophobicContact CD1-CB 4.04Å; F158-P267 HydrophobicContact CD1-CG 3.81Å; F158-P267 HydrophobicContact CE1-CB 4.26Å; D265-P267 WeakPolarHBondContact OD1-CD 3.49Å; P267-Y270 PolarHBondContact O-N 3Å; P267-Q271 WeakPolarHBondContact O-CG 3.32Å; P267-Q271 PolarHBondContact O-N 3.22Å
268	K	98.5	Very high	98.5	Very high	125 Å²	125	47.7 Å²	47.7	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-39.7	176.7	-73.1	170.6	-169.8	142.4	0	112	S264 D265 I266 Q271 N272	S264-K268 VanDerWaalsContact OG-CB 3.31Å; S264-K268 WeakPolarHBondContact OG-CB 3.49Å; D265-K268 PolarHBondContact O-N 3.43Å; D265-K268 VanDerWaalsContact OD1-CB 3.25Å; D265-K268 WeakPolarHBondContact OD1-CB 3.34Å; D265-K268 WeakPolarHBondContact OD1-CD 3.47Å; D265-K268 VanDerWaalsContact OD1-CG 3.22Å; D265-K268 WeakPolarHBondContact OD1-CG 3.37Å; D265-K268 PolarHBondContact OD1-N 3.5Å; D265-K268 WeakPolarHBondContact OD2-CD 3.44Å; D265-K268 WeakPolarHBondContact OD2-CE 3.25Å; D265-K268 IonicContact OD2-NZ 2.84Å; D265-K268 PolarHBondContact OD2-NZ 2.89Å; I266-K268 PolarHBondContact O-N 3.13Å; K268-Q271 PolarHBondContact O-N 3.35Å; K268-N272 PolarHBondContact O-N 3.04Å
269	W	98.8	Very high	98.5	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-43.4	175.2	162.3	66.9	0	0	0	111.4	V153 F160 D258 S264 D265 I266 Q271 N272 P273 F277 F278 I295 P298	V153-W269 HydrophobicContact CG2-CZ3 4.37Å; F160-W269 HydrophobicContact CE2-CZ3 4.08Å; F160-W269 HydrophobicContact CZ-CH2 4.38Å; F160-W269 AromaticContact CZ-CZ3 3.92Å; F160-W269 HydrophobicContact CZ-CZ3 3.92Å; D258-W269 HydrophobicContact CB-CZ2 3.95Å; D258-W269 PolarHBondContact OD2-NE1 2.55Å; S264-W269 PolarHBondContact OG-N 2.84Å; D265-W269 WeakPolarHBondContact O-CB 3.31Å; D265-W269 PolarHBondContact O-N 3.02Å; I266-W269 HydrophobicContact CG2-CE3 4.26Å; I266-W269 HydrophobicContact CG2-CZ3 4.44Å; I266-W269 PolarHBondContact O-N 3.29Å; W269-Q271 PolarHBondContact O-N 2.81Å; W269-N272 CarbonylContact O-C 3.6Å; W269-N272 PolarHBondContact O-N 3.35Å; W269-P273 WeakPolarHBondContact O-CD 3.37Å; W269-F277 HydrophobicContact CH2-CE1 4.34Å; W269-F277 HydrophobicContact CH2-CZ 4.06Å; W269-F277 AromaticContact CZ2-CE1 3.8Å; W269-F277 HydrophobicContact CZ2-CE1 3.8Å; W269-F277 AromaticContact CZ2-CZ 3.95Å; W269-F277 HydrophobicContact CZ2-CZ 3.95Å; W269-F278 AromaticContact CH2-CE1 3.96Å; W269-F278 HydrophobicContact CH2-CE1 3.96Å; W269-F278 HydrophobicContact CH2-CZ 4.01Å; W269-F278 HydrophobicContact CZ2-CE1 4.41Å; W269-F278 HydrophobicContact CZ2-CZ 4.21Å; W269-F278 HydrophobicContact CZ3-CZ 4.37Å; W269-I295 HydrophobicContact CH2-CG2 3.77Å; W269-P298 HydrophobicContact CB-CB 4.08Å; W269-P298 HydrophobicContact CB-CG 4.01Å; W269-P298 HydrophobicContact CD2-CB 3.76Å; W269-P298 HydrophobicContact CD2-CG 3.76Å; W269-P298 HydrophobicContact CE3-CB 4.22Å; W269-P298 HydrophobicContact CE3-CG 3.71Å; W269-P298 HydrophobicContact CG-CB 3.68Å; W269-P298 HydrophobicContact CG-CG 3.9Å; W269-P298 HydrophobicContact CZ3-CG 4.44Å
270	Y	98.8	Very high	98.5	Very high	47 Å²	47	54 Å²	54	18%	0.184	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-35.2	177.4	-175.8	-90.5	0	0	0	112.7	P159 F160 W165 I266 P267 F278	P159-Y270 HydrophobicContact CG-CD1 3.5Å; P159-Y270 VanDerWaalsContact CG-CD1 3.5Å; P159-Y270 HydrophobicContact CG-CD2 3.82Å; P159-Y270 HydrophobicContact CG-CE1 3.78Å; P159-Y270 HydrophobicContact CG-CE2 4.08Å; P159-Y270 HydrophobicContact CG-CG 3.52Å; F160-Y270 HydrophobicContact CE1-CD2 4.42Å; F160-Y270 HydrophobicContact CE1-CE2 4.34Å; F160-Y270 HydrophobicContact CE2-CD2 4.03Å; F160-Y270 AromaticContact CZ-CD2 3.75Å; F160-Y270 HydrophobicContact CZ-CD2 3.75Å; F160-Y270 HydrophobicContact CZ-CE2 4.12Å; W165-Y270 AromaticContact CE2-CE2 3.85Å; W165-Y270 AromaticContact CZ2-CE2 3.79Å; W165-Y270 HydrophobicContact CZ2-CE2 3.79Å; W165-Y270 AromaticContact NE1-CE2 3.45Å; W165-Y270 AromaticContact NE1-CZ 3.51Å; W165-Y270 PolarHBondContact NE1-OH 3.27Å; I266-Y270 WeakPolarHBondContact O-CB 3.14Å; I266-Y270 PolarHBondContact O-N 3.39Å; P267-Y270 PolarHBondContact O-N 3Å; Y270-F278 HydrophobicContact CD2-CD2 4.35Å; Y270-F278 AromaticContact CD2-CE1 4Å; Y270-F278 HydrophobicContact CD2-CE1 4Å; Y270-F278 AromaticContact CD2-CE2 3.64Å; Y270-F278 HydrophobicContact CD2-CE2 3.64Å; Y270-F278 AromaticContact CD2-CZ 3.45Å; Y270-F278 HydrophobicContact CD2-CZ 3.45Å; Y270-F278 VanDerWaalsContact CD2-CZ 3.45Å; Y270-F278 HydrophobicContact CE2-CD1 4.31Å; Y270-F278 AromaticContact CE2-CD2 3.99Å; Y270-F278 HydrophobicContact CE2-CD2 3.99Å; Y270-F278 HydrophobicContact CE2-CE1 4.1Å; Y270-F278 AromaticContact CE2-CE2 3.76Å; Y270-F278 HydrophobicContact CE2-CE2 3.76Å; Y270-F278 HydrophobicContact CE2-CG 4.27Å; Y270-F278 AromaticContact CE2-CZ 3.83Å; Y270-F278 HydrophobicContact CE2-CZ 3.83Å; Y270-F278 HydrophobicContact CG-CE2 4.26Å; Y270-F278 HydrophobicContact CG-CZ 4.28Å
271	Q	98.5	Very high	98.5	Very high	154 Å²	154	54 Å²	54	72%	0.72	27%	0.269	S	S	*	.	H	α-helix	trans	-73.4	-27.6	176.6	-68.8	173.2	16.3	0	0	113.4	P267 K268 W269	P267-Q271 WeakPolarHBondContact O-CG 3.32Å; P267-Q271 PolarHBondContact O-N 3.22Å; K268-Q271 PolarHBondContact O-N 3.35Å; W269-Q271 PolarHBondContact O-N 2.81Å
272	N	98	Very high	98.5	Very high	109 Å²	109	52.5 Å²	52.5	58%	0.583	26%	0.259	S	S	*	.	S	Bend	trans	-141.4	65.7	-177.1	-172.6	74.6	0	0	0	111.4	K268 W269	K268-N272 PolarHBondContact O-N 3.04Å; W269-N272 CarbonylContact O-C 3.6Å; W269-N272 PolarHBondContact O-N 3.35Å
273	P	98.6	Very high	98.5	Very high	22 Å²	22	53.7 Å²	53.7	14%	0.143	27%	0.271	C	S	.	.			trans	-69.7	154.1	173.4	32.1	-36.4	0	0	0	109.6	D258 W269 Y275 N276 F278	D258-P273 VanDerWaalsContact OD2-CA 3.3Å; D258-P273 WeakPolarHBondContact OD2-CA 3.25Å; D258-P273 VanDerWaalsContact OD2-CB 3.31Å; D258-P273 WeakPolarHBondContact OD2-CB 3.33Å; W269-P273 WeakPolarHBondContact O-CD 3.37Å; P273-Y275 VanDerWaalsContact C-N 3.34Å; P273-N276 HydrophobicContact CG-CB 4.21Å; P273-F278 HydrophobicContact CB-CE2 4.37Å; P273-F278 HydrophobicContact CG-CE2 4.03Å
274	D	98.6	Very high	98.6	Very high	43 Å²	43	48.2 Å²	48.2	23%	0.23	25%	0.245	C	C	.	.	S	Bend	trans	-67.4	-40.4	177.2	-165.1	20.4	0	0	0	111	K121 Y122 D258 P259	K121-D274 WeakPolarHBondContact CE-OD1 3.2Å; K121-D274 IonicContact NZ-OD1 2.84Å; K121-D274 PolarHBondContact NZ-OD1 3.23Å; K121-D274 IonicContact NZ-OD2 2.54Å; K121-D274 PolarHBondContact NZ-OD2 3.26Å; Y122-D274 PolarHBondContact OH-OD2 3.42Å; D258-D274 PolarHBondContact OD1-N 3.1Å; D258-D274 PolarHBondContact OD2-N 3.4Å; P259-D274 HydrophobicContact CB-CB 4.11Å; P259-D274 HydrophobicContact CG-CB 4.37Å; P259-D274 WeakPolarHBondContact O-CB 3.38Å
275	Y	98.8	Very high	98.6	Very high	76 Å²	76	49 Å²	49	30%	0.298	25%	0.247	S	C	.	.	S	Bend	trans	-126.4	127.4	166.3	-74.4	-93.5	0	0	0	110	Q235 T238 T239 D258 P273 F277	Q235-Y275 HydrophobicContact CB-CD1 4.25Å; Q235-Y275 HydrophobicContact CB-CD2 3.79Å; Q235-Y275 HydrophobicContact CB-CE1 4.16Å; Q235-Y275 HydrophobicContact CB-CE2 3.67Å; Q235-Y275 HydrophobicContact CB-CG 4.09Å; Q235-Y275 HydrophobicContact CG-CD1 4.31Å; Q235-Y275 HydrophobicContact CG-CD2 4.44Å; Q235-Y275 HydrophobicContact CG-CE1 3.81Å; Q235-Y275 HydrophobicContact CG-CE2 3.95Å; Q235-Y275 PolarHBondContact NE2-OH 3.41Å; Q235-Y275 VanDerWaalsContact NE2-OH 3.14Å; T238-Y275 HydrophobicContact CG2-CD1 4.21Å; T239-Y275 HydrophobicContact CG2-CD1 4.19Å; T239-Y275 HydrophobicContact CG2-CE1 4.1Å; D258-Y275 PolarHBondContact OD1-N 2.71Å; P273-Y275 VanDerWaalsContact C-N 3.34Å; Y275-F277 VanDerWaalsContact C-N 3.35Å; Y275-F277 VanDerWaalsContact O-CD1 3.31Å; Y275-F277 WeakPolarHBondContact O-CD1 2.99Å; Y275-F277 PolarHBondContact O-N 3.09Å
276	N	98.6	Very high	98.7	Very high	94 Å²	94	53.1 Å²	53.1	50%	0.503	26%	0.262	S	S	.	.			trans	-75	88.1	176.2	-170.6	-15.4	0	0	0	110.4	T238 P273 F278	T238-N276 VanDerWaalsContact OG1-C 3.31Å; T238-N276 PolarHBondContact OG1-O 3.29Å; P273-N276 HydrophobicContact CG-CB 4.21Å; N276-F278 WeakPolarHBondContact OD1-CD2 3.28Å
277	F	98.8	Very high	98.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.			trans	-91.8	-8.9	-177.7	69.2	-88.1	0	0	0	113.4	V237 T238 V256 D258 W269 Y275 N279 N280 Y281 I295	V237-F277 HydrophobicContact CB-CB 4.06Å; V237-F277 HydrophobicContact CG1-CB 3.84Å; V237-F277 HydrophobicContact CG1-CD2 4.44Å; T238-F277 WeakPolarHBondContact OG1-CA 3.39Å; T238-F277 WeakPolarHBondContact OG1-CB 3.47Å; T238-F277 PolarHBondContact OG1-N 3.28Å; V256-F277 HydrophobicContact CB-CE2 4.5Å; V256-F277 HydrophobicContact CG1-CD2 3.89Å; V256-F277 HydrophobicContact CG1-CE2 3.43Å; V256-F277 VanDerWaalsContact CG1-CE2 3.43Å; V256-F277 HydrophobicContact CG1-CZ 4.07Å; V256-F277 HydrophobicContact CG2-CD2 4.06Å; V256-F277 HydrophobicContact CG2-CE2 4.25Å; V256-F277 HydrophobicContact CG2-CG 4.33Å; D258-F277 HydrophobicContact CB-CD1 4.26Å; D258-F277 HydrophobicContact CB-CE1 3.78Å; W269-F277 HydrophobicContact CH2-CE1 4.34Å; W269-F277 HydrophobicContact CH2-CZ 4.06Å; W269-F277 AromaticContact CZ2-CE1 3.8Å; W269-F277 HydrophobicContact CZ2-CE1 3.8Å; W269-F277 AromaticContact CZ2-CZ 3.95Å; W269-F277 HydrophobicContact CZ2-CZ 3.95Å; Y275-F277 VanDerWaalsContact C-N 3.35Å; Y275-F277 VanDerWaalsContact O-CD1 3.31Å; Y275-F277 WeakPolarHBondContact O-CD1 2.99Å; Y275-F277 PolarHBondContact O-N 3.09Å; F277-N279 VanDerWaalsContact C-N 3.32Å; F277-N279 PolarHBondContact O-N 3.46Å; F277-N280 PolarHBondContact O-N 2.87Å; F277-N280 VanDerWaalsContact O-N 3.09Å; F277-Y281 HydrophobicContact CE2-CD2 4.4Å; F277-Y281 WeakPolarHBondContact O-CB 3.46Å; F277-Y281 PolarHBondContact O-N 3.03Å; F277-I295 HydrophobicContact CE2-CD1 3.98Å; F277-I295 HydrophobicContact CE2-CG1 4.18Å; F277-I295 HydrophobicContact CE2-CG2 4.29Å; F277-I295 HydrophobicContact CZ-CD1 4.31Å; F277-I295 HydrophobicContact CZ-CG2 3.85Å
278	F	98.8	Very high	98.6	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.035	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-40.3	-169.9	-60.2	-54.5	0	0	0	113.3	F160 W165 W269 Y270 P273 N276 Y281 K282	F160-F278 HydrophobicContact CE1-CE1 4.26Å; F160-F278 AromaticContact CZ-CE1 3.97Å; F160-F278 HydrophobicContact CZ-CE1 3.97Å; W165-F278 HydrophobicContact CH2-CB 4.1Å; W165-F278 AromaticContact CH2-CD1 3.67Å; W165-F278 HydrophobicContact CH2-CD1 3.67Å; W165-F278 HydrophobicContact CH2-CG 4.21Å; W165-F278 HydrophobicContact CZ2-CB 3.9Å; W165-F278 AromaticContact CZ2-CD1 3.61Å; W165-F278 HydrophobicContact CZ2-CD1 3.61Å; W165-F278 HydrophobicContact CZ2-CE1 4.35Å; W165-F278 AromaticContact CZ2-CG 3.88Å; W165-F278 HydrophobicContact CZ2-CG 3.88Å; W269-F278 AromaticContact CH2-CE1 3.96Å; W269-F278 HydrophobicContact CH2-CE1 3.96Å; W269-F278 HydrophobicContact CH2-CZ 4.01Å; W269-F278 HydrophobicContact CZ2-CE1 4.41Å; W269-F278 HydrophobicContact CZ2-CZ 4.21Å; W269-F278 HydrophobicContact CZ3-CZ 4.37Å; Y270-F278 HydrophobicContact CD2-CD2 4.35Å; Y270-F278 AromaticContact CD2-CE1 4Å; Y270-F278 HydrophobicContact CD2-CE1 4Å; Y270-F278 AromaticContact CD2-CE2 3.64Å; Y270-F278 HydrophobicContact CD2-CE2 3.64Å; Y270-F278 AromaticContact CD2-CZ 3.45Å; Y270-F278 HydrophobicContact CD2-CZ 3.45Å; Y270-F278 VanDerWaalsContact CD2-CZ 3.45Å; Y270-F278 HydrophobicContact CE2-CD1 4.31Å; Y270-F278 AromaticContact CE2-CD2 3.99Å; Y270-F278 HydrophobicContact CE2-CD2 3.99Å; Y270-F278 HydrophobicContact CE2-CE1 4.1Å; Y270-F278 AromaticContact CE2-CE2 3.76Å; Y270-F278 HydrophobicContact CE2-CE2 3.76Å; Y270-F278 HydrophobicContact CE2-CG 4.27Å; Y270-F278 AromaticContact CE2-CZ 3.83Å; Y270-F278 HydrophobicContact CE2-CZ 3.83Å; Y270-F278 HydrophobicContact CG-CE2 4.26Å; Y270-F278 HydrophobicContact CG-CZ 4.28Å; P273-F278 HydrophobicContact CB-CE2 4.37Å; P273-F278 HydrophobicContact CG-CE2 4.03Å; N276-F278 WeakPolarHBondContact OD1-CD2 3.28Å; F278-Y281 WeakPolarHBondContact O-CB 3.24Å; F278-Y281 PolarHBondContact O-N 2.63Å; F278-K282 WeakPolarHBondContact O-CB 3.37Å; F278-K282 VanDerWaalsContact O-CG 3.32Å; F278-K282 WeakPolarHBondContact O-CG 3.21Å; F278-K282 PolarHBondContact O-N 2.86Å
279	N	98.6	Very high	98.6	Very high	104 Å²	104	55.3 Å²	55.3	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-64.7	-42.6	177.9	-73.2	-22.9	0	0	0	112.7	F277 K282 S283	F277-N279 VanDerWaalsContact C-N 3.32Å; F277-N279 PolarHBondContact O-N 3.46Å; N279-K282 PolarHBondContact O-N 2.76Å; N279-S283 WeakPolarHBondContact O-CB 3.44Å; N279-S283 PolarHBondContact O-N 3.12Å; N279-S283 PolarHBondContact O-OG 2.96Å
280	N	98.8	Very high	98.5	Very high	44 Å²	44	62.5 Å²	62.5	24%	0.235	32%	0.318	C	S	.	.	H	α-helix	trans	-74	-34.4	179.6	-69.1	0.1	0	0	0	111	V237 T238 F277 S283 Y284	V237-N280 HydrophobicContact CG1-CB 4.07Å; V237-N280 VanDerWaalsContact O-CB 3.27Å; V237-N280 WeakPolarHBondContact O-CB 3.46Å; V237-N280 PolarHBondContact O-ND2 2.62Å; T238-N280 PolarHBondContact O-ND2 2.57Å; T238-N280 VanDerWaalsContact O-ND2 3.13Å; F277-N280 PolarHBondContact O-N 2.87Å; F277-N280 VanDerWaalsContact O-N 3.09Å; N280-S283 PolarHBondContact O-N 3.33Å; N280-Y284 WeakPolarHBondContact O-CB 3.34Å; N280-Y284 PolarHBondContact O-N 3.42Å
281	Y	98.9	Very high	98.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.2	-53.8	169	176.4	-81.8	0	0	0	111.1	W165 L169 V256 F277 F278 S283 Y284 R285 F293 I295	W165-Y281 HydrophobicContact CH2-CD1 4.19Å; W165-Y281 AromaticContact CZ3-CD1 3.89Å; W165-Y281 HydrophobicContact CZ3-CD1 3.89Å; W165-Y281 AromaticContact CZ3-CE1 3.89Å; W165-Y281 HydrophobicContact CZ3-CE1 3.89Å; L169-Y281 HydrophobicContact CD2-CE1 4.21Å; L169-Y281 WeakPolarHBondContact CD2-OH 3.24Å; V256-Y281 HydrophobicContact CG1-CD2 4.12Å; V256-Y281 HydrophobicContact CG1-CE2 4.48Å; F277-Y281 HydrophobicContact CE2-CD2 4.4Å; F277-Y281 WeakPolarHBondContact O-CB 3.46Å; F277-Y281 PolarHBondContact O-N 3.03Å; F278-Y281 WeakPolarHBondContact O-CB 3.24Å; F278-Y281 PolarHBondContact O-N 2.63Å; Y281-S283 VanDerWaalsContact C-N 3.26Å; Y281-S283 PolarHBondContact O-N 3.24Å; Y281-Y284 PolarHBondContact O-N 3.32Å; Y281-R285 HydrophobicContact CD1-CG 4.01Å; Y281-R285 HydrophobicContact CE1-CG 3.59Å; Y281-R285 WeakPolarHBondContact O-CG 3.37Å; Y281-R285 PolarHBondContact O-N 2.87Å; Y281-F293 AromaticContact CD2-CD2 3.59Å; Y281-F293 HydrophobicContact CD2-CD2 3.59Å; Y281-F293 AromaticContact CD2-CE2 3.42Å; Y281-F293 HydrophobicContact CD2-CE2 3.42Å; Y281-F293 VanDerWaalsContact CD2-CE2 3.42Å; Y281-F293 HydrophobicContact CD2-CG 4.41Å; Y281-F293 HydrophobicContact CD2-CZ 4.19Å; Y281-F293 HydrophobicContact CE2-CB 4.49Å; Y281-F293 AromaticContact CE2-CD2 3.18Å; Y281-F293 HydrophobicContact CE2-CD2 3.18Å; Y281-F293 AromaticContact CE2-CE2 3.54Å; Y281-F293 HydrophobicContact CE2-CE2 3.54Å; Y281-F293 AromaticContact CE2-CG 3.98Å; Y281-F293 HydrophobicContact CE2-CG 3.98Å; Y281-F293 PolarHBondContact OH-O 3.16Å; Y281-I295 HydrophobicContact CD1-CD1 4.48Å; Y281-I295 HydrophobicContact CD2-CD1 4.08Å; Y281-I295 HydrophobicContact CD2-CG1 3.92Å; Y281-I295 HydrophobicContact CE1-CD1 4.27Å; Y281-I295 HydrophobicContact CE2-CD1 3.8Å; Y281-I295 HydrophobicContact CE2-CG1 3.41Å; Y281-I295 VanDerWaalsContact CE2-CG1 3.41Å; Y281-I295 HydrophobicContact CG-CD1 4.43Å
282	K	98.8	Very high	98.5	Very high	14 Å²	14	55.2 Å²	55.2	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-39	177.9	-71.7	-176	-174.3	-169.8	0	111.4	E164 W165 Y168 F278 N279 K286	E164-K282 PolarHBondContact O-NZ 2.67Å; E164-K282 IonicContact OE1-NZ 2.71Å; E164-K282 PolarHBondContact OE1-NZ 3.11Å; W165-K282 VanDerWaalsContact CE2-CE 3.47Å; W165-K282 HydrophobicContact CH2-CG 4.31Å; W165-K282 VanDerWaalsContact CZ2-CE 3.45Å; W165-K282 HydrophobicContact CZ3-CG 4.27Å; Y168-K282 HydrophobicContact CD1-CB 3.82Å; Y168-K282 HydrophobicContact CD1-CD 4.44Å; Y168-K282 HydrophobicContact CD1-CG 3.65Å; Y168-K282 HydrophobicContact CD2-CD 4.1Å; Y168-K282 HydrophobicContact CD2-CG 4.12Å; Y168-K282 HydrophobicContact CE1-CB 3.44Å; Y168-K282 VanDerWaalsContact CE1-CB 3.44Å; Y168-K282 HydrophobicContact CE1-CD 4.18Å; Y168-K282 HydrophobicContact CE1-CG 3.63Å; Y168-K282 HydrophobicContact CE2-CD 3.81Å; Y168-K282 HydrophobicContact CE2-CG 4.1Å; Y168-K282 HydrophobicContact CG-CD 4.39Å; Y168-K282 HydrophobicContact CG-CG 3.89Å; F278-K282 WeakPolarHBondContact O-CB 3.37Å; F278-K282 VanDerWaalsContact O-CG 3.32Å; F278-K282 WeakPolarHBondContact O-CG 3.21Å; F278-K282 PolarHBondContact O-N 2.86Å; N279-K282 PolarHBondContact O-N 2.76Å; K282-K286 WeakPolarHBondContact O-CG 3.44Å; K282-K286 PolarHBondContact O-N 3.49Å
283	S	98.7	Very high	98.6	Very high	49 Å²	49	50 Å²	50	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-45.2	176.7	-58.9	0	0	0	0	112.1	N279 N280 Y281 K286 L287	N279-S283 WeakPolarHBondContact O-CB 3.44Å; N279-S283 PolarHBondContact O-N 3.12Å; N279-S283 PolarHBondContact O-OG 2.96Å; N280-S283 PolarHBondContact O-N 3.33Å; Y281-S283 VanDerWaalsContact C-N 3.26Å; Y281-S283 PolarHBondContact O-N 3.24Å; S283-K286 PolarHBondContact O-N 3.24Å; S283-L287 WeakPolarHBondContact O-CG 3.47Å; S283-L287 PolarHBondContact O-N 3.09Å
284	Y	98.8	Very high	98.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-44.8	176.3	-169.9	-80.4	0	0	0	111.6	F243 L244 Y249 N250 L254 N280 Y281 K286 L287 H288 Q291 F293	F243-Y284 HydrophobicContact CD1-CD2 4.49Å; F243-Y284 AromaticContact CE1-CD2 3.77Å; F243-Y284 HydrophobicContact CE1-CD2 3.77Å; F243-Y284 HydrophobicContact CE1-CG 4.1Å; F243-Y284 AromaticContact CE2-CD2 3.85Å; F243-Y284 HydrophobicContact CE2-CD2 3.85Å; F243-Y284 HydrophobicContact CE2-CE2 4.06Å; F243-Y284 HydrophobicContact CE2-CG 4.46Å; F243-Y284 AromaticContact CZ-CD2 3.4Å; F243-Y284 HydrophobicContact CZ-CD2 3.4Å; F243-Y284 VanDerWaalsContact CZ-CD2 3.4Å; F243-Y284 HydrophobicContact CZ-CE2 4.07Å; F243-Y284 AromaticContact CZ-CG 3.69Å; F243-Y284 HydrophobicContact CZ-CG 3.69Å; L244-Y284 HydrophobicContact CD2-CD2 4.08Å; L244-Y284 HydrophobicContact CD2-CG 4.48Å; Y249-Y284 VanDerWaalsContact C-OH 3.23Å; Y249-Y284 PolarHBondContact O-OH 3.42Å; N250-Y284 PolarHBondContact OD1-OH 2.84Å; L254-Y284 HydrophobicContact CD1-CD1 4.41Å; L254-Y284 HydrophobicContact CD1-CE1 3.58Å; L254-Y284 HydrophobicContact CD1-CE2 4.28Å; L254-Y284 WeakPolarHBondContact CD1-OH 3.39Å; N280-Y284 WeakPolarHBondContact O-CB 3.34Å; N280-Y284 PolarHBondContact O-N 3.42Å; Y281-Y284 PolarHBondContact O-N 3.32Å; Y284-K286 PolarHBondContact O-N 2.81Å; Y284-L287 PolarHBondContact O-N 2.86Å; Y284-H288 HydrophobicContact CD1-CB 4.23Å; Y284-H288 AromaticContact CD1-CD2 3.97Å; Y284-H288 AromaticContact CD2-CD2 3.98Å; Y284-H288 HydrophobicContact CE1-CB 3.73Å; Y284-H288 AromaticContact CE1-CD2 3.57Å; Y284-H288 AromaticContact CE1-CG 3.89Å; Y284-H288 AromaticContact CE2-CD2 3.6Å; Y284-H288 AromaticContact CZ-CD2 3.37Å; Y284-H288 AromaticContact CZ-CG 3.93Å; Y284-H288 PolarHBondContact O-N 3.29Å; Y284-Q291 VanDerWaalsContact CE1-OE1 3.3Å; Y284-Q291 PolarHBondContact OH-OE1 3.48Å; Y284-F293 AromaticContact CD1-CD1 3.48Å; Y284-F293 HydrophobicContact CD1-CD1 3.48Å; Y284-F293 VanDerWaalsContact CD1-CD1 3.48Å; Y284-F293 AromaticContact CD1-CE1 3.76Å; Y284-F293 HydrophobicContact CD1-CE1 3.76Å; Y284-F293 AromaticContact CE1-CD1 3.72Å; Y284-F293 HydrophobicContact CE1-CD1 3.72Å; Y284-F293 HydrophobicContact CE1-CE1 4.09Å; Y284-F293 HydrophobicContact CG-CD1 4.25Å; Y284-F293 HydrophobicContact CG-CE1 4.08Å
285	R	98.6	Very high	98.6	Very high	29 Å²	29	47.3 Å²	47.3	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-33.3	177	-72.3	-64.7	-58.9	128.9	3.9	113.1	Y168 Y281 H288 P289 Q291	Y168-R285 HydrophobicContact CD1-CB 4.12Å; Y168-R285 PolarHBondContact O-NE 3.26Å; Y281-R285 HydrophobicContact CD1-CG 4.01Å; Y281-R285 HydrophobicContact CE1-CG 3.59Å; Y281-R285 WeakPolarHBondContact O-CG 3.37Å; Y281-R285 PolarHBondContact O-N 2.87Å; R285-H288 PolarHBondContact NH1-O 2.99Å; R285-H288 CarbonylContact O-C 3.51Å; R285-P289 PolarHBondContact NH1-O 2.9Å; R285-P289 PolarHBondContact NH2-O 3.14Å; R285-P289 VanDerWaalsContact O-CA 3.27Å; R285-P289 WeakPolarHBondContact O-CA 3.23Å; R285-Q291 PolarHBondContact NH1-O 3.44Å
286	K	98.5	Very high	98.6	Very high	144 Å²	144	43.9 Å²	43.9	63%	0.626	23%	0.231	S	C	*	.	H	α-helix	trans	-70.2	-36.1	173.8	-71.2	174.1	-175.2	179.8	0	112.7	Y168 K282 S283 Y284	Y168-K286 HydrophobicContact CE1-CG 4.29Å; Y168-K286 WeakPolarHBondContact OH-CE 2.96Å; Y168-K286 PolarHBondContact OH-NZ 3.13Å; K282-K286 WeakPolarHBondContact O-CG 3.44Å; K282-K286 PolarHBondContact O-N 3.49Å; S283-K286 PolarHBondContact O-N 3.24Å; Y284-K286 PolarHBondContact O-N 2.81Å
287	L	98.4	Very high	98.6	Very high	102 Å²	102	41 Å²	41	53%	0.534	21%	0.213	S	C	.	.	H	α-helix	trans	-76	-32.5	179	-66.3	171.1	0	0	0	112.3	S283 Y284	S283-L287 WeakPolarHBondContact O-CG 3.47Å; S283-L287 PolarHBondContact O-N 3.09Å; Y284-L287 PolarHBondContact O-N 2.86Å
288	H	98.5	Very high	98.6	Very high	48 Å²	48	41 Å²	41	22%	0.222	21%	0.214	C	C	.	.			trans	-132	64.3	-174.6	-55.5	-70	0	0	0	111.1	N250 Y284 R285 D290 Q291	N250-H288 PolarHBondContact ND2-CE1 3.44Å; Y284-H288 HydrophobicContact CD1-CB 4.23Å; Y284-H288 AromaticContact CD1-CD2 3.97Å; Y284-H288 AromaticContact CD2-CD2 3.98Å; Y284-H288 HydrophobicContact CE1-CB 3.73Å; Y284-H288 AromaticContact CE1-CD2 3.57Å; Y284-H288 AromaticContact CE1-CG 3.89Å; Y284-H288 AromaticContact CE2-CD2 3.6Å; Y284-H288 AromaticContact CZ-CD2 3.37Å; Y284-H288 AromaticContact CZ-CG 3.93Å; Y284-H288 PolarHBondContact O-N 3.29Å; R285-H288 PolarHBondContact NH1-O 2.99Å; R285-H288 CarbonylContact O-C 3.51Å; H288-D290 VanDerWaalsContact C-N 3.26Å; H288-D290 PolarHBondContact O-N 3.47Å; H288-Q291 HydrophobicContact CB-CB 4.09Å; H288-Q291 PolarHBondContact O-N 2.99Å
289	P	97.9	Very high	98.6	Very high	72 Å²	72	43.3 Å²	43.3	47%	0.468	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.1	-173.2	24.5	-34.3	0	0	0	113.1	R285	R285-P289 PolarHBondContact NH1-O 2.9Å; R285-P289 PolarHBondContact NH2-O 3.14Å; R285-P289 VanDerWaalsContact O-CA 3.27Å; R285-P289 WeakPolarHBondContact O-CA 3.23Å
290	D	97.6	Very high	98.7	Very high	153 Å²	153	38.3 Å²	38.3	82%	0.818	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-16.7	-176.1	-56.3	-43.8	0	0	0	113.7	H288 P292	H288-D290 VanDerWaalsContact C-N 3.26Å; H288-D290 PolarHBondContact O-N 3.47Å; D290-P292 WeakPolarHBondContact O-CD 3.38Å
291	Q	98.6	Very high	98.7	Very high	19 Å²	19	36.3 Å²	36.3	9%	0.089	19%	0.188	C	C	.	.	S	Bend	trans	-81	122.3	178.7	-169.6	-176.3	12.2	0	0	110.3	Y249 N250 E251 G252 Y284 R285 H288 F293	Y249-Q291 PolarHBondContact O-NE2 3.45Å; N250-Q291 VanDerWaalsContact C-NE2 3.28Å; N250-Q291 PolarHBondContact O-NE2 3.36Å; E251-Q291 PolarHBondContact O-NE2 2.86Å; G252-Q291 VanDerWaalsContact O-CG 3.24Å; G252-Q291 WeakPolarHBondContact O-CG 3.41Å; G252-Q291 PolarHBondContact O-NE2 2.97Å; Y284-Q291 VanDerWaalsContact CE1-OE1 3.3Å; Y284-Q291 PolarHBondContact OH-OE1 3.48Å; R285-Q291 PolarHBondContact NH1-O 3.44Å; H288-Q291 HydrophobicContact CB-CB 4.09Å; H288-Q291 PolarHBondContact O-N 2.99Å; Q291-F293 PolarHBondContact O-N 2.96Å
292	P	98.7	Very high	98.7	Very high	30 Å²	30	36.4 Å²	36.4	20%	0.195	19%	0.188	C	C	.	.			trans	-63.6	127.3	177.2	-20.9	33	0	0	0	111.3	K177 I253 L254 D290 Y294	K177-P292 HydrophobicContact CG-CG 4.49Å; I253-P292 HydrophobicContact CG1-CB 4.13Å; I253-P292 HydrophobicContact CG1-CG 4.21Å; I253-P292 HydrophobicContact CG2-CB 4.22Å; L254-P292 PolarHBondContact N-O 2.84Å; D290-P292 WeakPolarHBondContact O-CD 3.38Å; P292-Y294 HydrophobicContact CB-CD2 4.46Å; P292-Y294 HydrophobicContact CB-CE2 3.65Å
293	F	98.9	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	107.8	179.8	-163.8	131.7	0	0	0	110	P170 M232 F243 L254 V256 Y281 Y284 Q291	P170-F293 VanDerWaalsContact CD-O 3.23Å; P170-F293 WeakPolarHBondContact CD-O 3.33Å; P170-F293 VanDerWaalsContact CG-O 3.23Å; P170-F293 WeakPolarHBondContact CG-O 3.42Å; M232-F293 HydrophobicContact CE-CE1 3.87Å; M232-F293 HydrophobicContact CE-CE2 4.41Å; M232-F293 HydrophobicContact CE-CZ 3.6Å; F243-F293 AromaticContact CE2-CE1 3.94Å; F243-F293 HydrophobicContact CE2-CE1 3.94Å; F243-F293 HydrophobicContact CE2-CZ 4.22Å; F243-F293 AromaticContact CZ-CE1 3.57Å; F243-F293 HydrophobicContact CZ-CE1 3.57Å; F243-F293 AromaticContact CZ-CZ 3.8Å; F243-F293 HydrophobicContact CZ-CZ 3.8Å; L254-F293 HydrophobicContact CB-CB 4.2Å; L254-F293 HydrophobicContact CB-CD1 3.45Å; L254-F293 VanDerWaalsContact CB-CD1 3.45Å; L254-F293 HydrophobicContact CB-CD2 4.14Å; L254-F293 HydrophobicContact CB-CE1 3.69Å; L254-F293 HydrophobicContact CB-CE2 4.41Å; L254-F293 HydrophobicContact CB-CG 3.68Å; L254-F293 HydrophobicContact CB-CZ 4.2Å; L254-F293 HydrophobicContact CD1-CD1 3.37Å; L254-F293 HydrophobicContact CD1-CE1 3.34Å; L254-F293 HydrophobicContact CD1-CG 4.41Å; L254-F293 HydrophobicContact CD1-CZ 4.41Å; L254-F293 HydrophobicContact CG-CD1 3.99Å; L254-F293 HydrophobicContact CG-CE1 4.15Å; L254-F293 CarbonylContact O-C 3.57Å; L254-F293 VanDerWaalsContact O-CA 3.3Å; L254-F293 WeakPolarHBondContact O-CA 3.05Å; V256-F293 HydrophobicContact CB-CE2 3.84Å; V256-F293 HydrophobicContact CB-CZ 4.35Å; V256-F293 HydrophobicContact CG1-CE2 3.72Å; Y281-F293 AromaticContact CD2-CD2 3.59Å; Y281-F293 HydrophobicContact CD2-CD2 3.59Å; Y281-F293 AromaticContact CD2-CE2 3.42Å; Y281-F293 HydrophobicContact CD2-CE2 3.42Å; Y281-F293 VanDerWaalsContact CD2-CE2 3.42Å; Y281-F293 HydrophobicContact CD2-CG 4.41Å; Y281-F293 HydrophobicContact CD2-CZ 4.19Å; Y281-F293 HydrophobicContact CE2-CB 4.49Å; Y281-F293 AromaticContact CE2-CD2 3.18Å; Y281-F293 HydrophobicContact CE2-CD2 3.18Å; Y281-F293 AromaticContact CE2-CE2 3.54Å; Y281-F293 HydrophobicContact CE2-CE2 3.54Å; Y281-F293 AromaticContact CE2-CG 3.98Å; Y281-F293 HydrophobicContact CE2-CG 3.98Å; Y281-F293 PolarHBondContact OH-O 3.16Å; Y284-F293 AromaticContact CD1-CD1 3.48Å; Y284-F293 HydrophobicContact CD1-CD1 3.48Å; Y284-F293 VanDerWaalsContact CD1-CD1 3.48Å; Y284-F293 AromaticContact CD1-CE1 3.76Å; Y284-F293 HydrophobicContact CD1-CE1 3.76Å; Y284-F293 AromaticContact CE1-CD1 3.72Å; Y284-F293 HydrophobicContact CE1-CD1 3.72Å; Y284-F293 HydrophobicContact CE1-CE1 4.09Å; Y284-F293 HydrophobicContact CG-CD1 4.25Å; Y284-F293 HydrophobicContact CG-CE1 4.08Å; Q291-F293 PolarHBondContact O-N 2.96Å
294	Y	98.9	Very high	98.7	Very high	7 Å²	7	36 Å²	36	3%	0.027	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	159.2	-175.9	-61.9	-86.8	0	0	0	112.6	M152 P170 D172 I174 K177 I253 L254 I255 V256 P292	M152-Y294 HydrophobicContact CB-CD1 3.98Å; M152-Y294 HydrophobicContact CB-CG 4.44Å; M152-Y294 HydrophobicContact CG-CD1 3.91Å; M152-Y294 HydrophobicContact CG-CG 4.02Å; P170-Y294 HydrophobicContact CB-CD1 4.28Å; P170-Y294 HydrophobicContact CB-CE1 3.63Å; P170-Y294 HydrophobicContact CG-CD1 3.94Å; P170-Y294 HydrophobicContact CG-CE1 3.78Å; P170-Y294 HydrophobicContact CG-CE2 4.41Å; P170-Y294 HydrophobicContact CG-CG 4.33Å; D172-Y294 WeakPolarHBondContact O-CE1 3.27Å; D172-Y294 PolarHBondContact O-OH 3.14Å; I174-Y294 HydrophobicContact CB-CD1 4.23Å; I174-Y294 HydrophobicContact CB-CD2 4.19Å; I174-Y294 HydrophobicContact CB-CE1 3.99Å; I174-Y294 HydrophobicContact CB-CE2 3.94Å; I174-Y294 HydrophobicContact CB-CG 4.33Å; I174-Y294 HydrophobicContact CD1-CD2 3.99Å; I174-Y294 HydrophobicContact CD1-CE2 4.31Å; I174-Y294 HydrophobicContact CD1-CG 4.43Å; I174-Y294 HydrophobicContact CG1-CD2 4.04Å; I174-Y294 HydrophobicContact CG1-CE2 3.85Å; K177-Y294 WeakPolarHBondContact CG-OH 3.27Å; I253-Y294 HydrophobicContact CG2-CD2 3.72Å; I253-Y294 HydrophobicContact CG2-CE2 3.8Å; L254-Y294 PolarHBondContact O-N 3.31Å; I255-Y294 WeakPolarHBondContact CA-O 3.49Å; V256-Y294 PolarHBondContact N-O 3.14Å; P292-Y294 HydrophobicContact CB-CD2 4.46Å; P292-Y294 HydrophobicContact CB-CE2 3.65Å
295	I	98.9	Very high	98.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.6	170.5	-55.3	177.1	0	0	0	106.9	M152 V153 F160 W165 L169 V256 W269 F277 Y281	M152-I295 CarbonylContact C-O 3.53Å; M152-I295 VanDerWaalsContact CA-O 3.25Å; M152-I295 WeakPolarHBondContact CA-O 3.47Å; M152-I295 WeakPolarHBondContact CB-O 3.28Å; V153-I295 HydrophobicContact CB-CB 4.16Å; V153-I295 HydrophobicContact CG2-CB 4.06Å; V153-I295 HydrophobicContact CG2-CG2 3.89Å; V153-I295 PolarHBondContact N-O 2.54Å; F160-I295 HydrophobicContact CE1-CD1 3.98Å; W165-I295 HydrophobicContact CH2-CD1 4.45Å; W165-I295 HydrophobicContact CZ3-CD1 4.49Å; L169-I295 HydrophobicContact CD2-CD1 3.95Å; L169-I295 HydrophobicContact CD2-CG1 4.45Å; V256-I295 HydrophobicContact CG1-CB 4.27Å; V256-I295 HydrophobicContact CG1-CG1 3.85Å; V256-I295 HydrophobicContact CG1-CG2 4.29Å; V256-I295 CarbonylContact O-C 3.52Å; V256-I295 WeakPolarHBondContact O-CA 3.48Å; W269-I295 HydrophobicContact CH2-CG2 3.77Å; F277-I295 HydrophobicContact CE2-CD1 3.98Å; F277-I295 HydrophobicContact CE2-CG1 4.18Å; F277-I295 HydrophobicContact CE2-CG2 4.29Å; F277-I295 HydrophobicContact CZ-CD1 4.31Å; F277-I295 HydrophobicContact CZ-CG2 3.85Å; Y281-I295 HydrophobicContact CD1-CD1 4.48Å; Y281-I295 HydrophobicContact CD2-CD1 4.08Å; Y281-I295 HydrophobicContact CD2-CG1 3.92Å; Y281-I295 HydrophobicContact CE1-CD1 4.27Å; Y281-I295 HydrophobicContact CE2-CD1 3.8Å; Y281-I295 HydrophobicContact CE2-CG1 3.41Å; Y281-I295 VanDerWaalsContact CE2-CG1 3.41Å; Y281-I295 HydrophobicContact CG-CD1 4.43Å
296	L	98.9	Very high	98.7	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-66.4	136	176	-173.3	67.2	0	0	0	109.9	M152 I255 V256 W257 M300 P301 L326	M152-L296 HydrophobicContact CE-CD1 3.95Å; M152-L296 HydrophobicContact SD-CB 4.36Å; M152-L296 HydrophobicContact SD-CD1 3.98Å; I255-L296 HydrophobicContact CG2-CB 4.28Å; V256-L296 PolarHBondContact O-N 3.35Å; W257-L296 HydrophobicContact CB-CB 3.78Å; W257-L296 HydrophobicContact CB-CD2 3.75Å; W257-L296 HydrophobicContact CB-CG 4.39Å; L296-M300 HydrophobicContact CD1-CB 4.3Å; L296-M300 HydrophobicContact CD1-CG 4.28Å; L296-M300 HydrophobicContact CD1-SD 4.42Å; L296-M300 HydrophobicContact CD2-SD 3.99Å; L296-M300 HydrophobicContact CG-CB 4.36Å; L296-P301 HydrophobicContact CD2-CG 4.21Å; L296-L326 HydrophobicContact CD2-CD1 4.4Å
297	K	98.9	Very high	98.7	Very high	33 Å²	33	29.7 Å²	29.7	14%	0.143	16%	0.156	C	C	.	.			trans	-61.4	137.4	175.6	-71.1	-159.1	-174.1	-157.8	0	110.5	S151 M152 V153 D157 I266 Q299 M300	S151-K297 PolarHBondContact O-N 2.7Å; S151-K297 VanDerWaalsContact O-N 3.15Å; S151-K297 WeakPolarHBondContact OG-CD 3.49Å; M152-K297 WeakPolarHBondContact O-CE 2.98Å; V153-K297 HydrophobicContact CG2-CG 4.25Å; D157-K297 VanDerWaalsContact CG-NZ 3.26Å; D157-K297 IonicContact OD1-NZ 2.87Å; D157-K297 PolarHBondContact OD1-NZ 3.37Å; D157-K297 WeakPolarHBondContact OD2-CE 3.01Å; D157-K297 IonicContact OD2-NZ 3.25Å; D157-K297 PolarHBondContact OD2-NZ 3.32Å; I266-K297 HydrophobicContact CD1-CD 4.06Å; I266-K297 HydrophobicContact CD1-CG 4.37Å; K297-Q299 PolarHBondContact O-N 2.88Å; K297-Q299 VanDerWaalsContact O-N 3.1Å; K297-M300 PolarHBondContact O-N 3.46Å
298	P	98.8	Very high	98.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.013	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.7	-172.8	26.1	-35.9	0	0	0	114.9	S260 I266 W269	S260-P298 PolarHBondContact OG-O 3.49Å; I266-P298 HydrophobicContact CG1-CG 3.98Å; W269-P298 HydrophobicContact CB-CB 4.08Å; W269-P298 HydrophobicContact CB-CG 4.01Å; W269-P298 HydrophobicContact CD2-CB 3.76Å; W269-P298 HydrophobicContact CD2-CG 3.76Å; W269-P298 HydrophobicContact CE3-CB 4.22Å; W269-P298 HydrophobicContact CE3-CG 3.71Å; W269-P298 HydrophobicContact CG-CB 3.68Å; W269-P298 HydrophobicContact CG-CG 3.9Å; W269-P298 HydrophobicContact CZ3-CG 4.44Å
299	Q	98.9	Very high	98.7	Very high	55 Å²	55	23 Å²	23	26%	0.257	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-37.3	178.8	-61.1	87.3	-21.2	0	0	112.3	K297 W302 E303	K297-Q299 PolarHBondContact O-N 2.88Å; K297-Q299 VanDerWaalsContact O-N 3.1Å; Q299-W302 WeakPolarHBondContact O-CA 3.14Å; Q299-W302 PolarHBondContact O-N 2.96Å; Q299-E303 PolarHBondContact O-N 3.3Å
300	M	98.9	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.3	-43.2	-171.6	-176.3	-80.3	-178.9	0	0	113.5	V148 N149 V150 L296 K297 W302 E303 L304 L326 I329	V148-M300 HydrophobicContact CG1-CE 3.82Å; V148-M300 HydrophobicContact CG1-CG 3.96Å; V148-M300 HydrophobicContact CG1-SD 4.35Å; N149-M300 WeakPolarHBondContact O-CG 3.42Å; V150-M300 HydrophobicContact CG2-CE 3.83Å; L296-M300 HydrophobicContact CD1-CB 4.3Å; L296-M300 HydrophobicContact CD1-CG 4.28Å; L296-M300 HydrophobicContact CD1-SD 4.42Å; L296-M300 HydrophobicContact CD2-SD 3.99Å; L296-M300 HydrophobicContact CG-CB 4.36Å; K297-M300 PolarHBondContact O-N 3.46Å; M300-W302 VanDerWaalsContact C-N 3.27Å; M300-W302 PolarHBondContact O-N 2.8Å; M300-E303 PolarHBondContact O-N 3.34Å; M300-L304 PolarHBondContact O-N 3.41Å; M300-L304 VanDerWaalsContact O-N 3.14Å; M300-L326 HydrophobicContact CE-CD2 4.41Å; M300-L326 HydrophobicContact SD-CD2 3.76Å; M300-I329 HydrophobicContact CE-CB 3.78Å; M300-I329 HydrophobicContact CE-CG2 3.54Å
301	P	98.9	Very high	98.7	Very high	2 Å²	2	15 Å²	15	1%	0.013	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-32.5	175	-24.4	35.3	0	0	0	114	W257 L296 W305 P320 P321 L326	W257-P301 HydrophobicContact CE3-CG 4Å; W257-P301 HydrophobicContact CZ3-CB 4.43Å; W257-P301 HydrophobicContact CZ3-CG 4.33Å; L296-P301 HydrophobicContact CD2-CG 4.21Å; P301-W305 WeakPolarHBondContact O-CB 3.37Å; P301-W305 PolarHBondContact O-N 3.5Å; P301-P320 HydrophobicContact CB-CB 3.92Å; P301-P321 WeakPolarHBondContact O-CD 3.43Å; P301-P321 WeakPolarHBondContact O-CG 3.28Å; P301-L326 HydrophobicContact CB-CD1 4.47Å; P301-L326 HydrophobicContact CB-CD2 3.98Å; P301-L326 HydrophobicContact CG-CD1 4.19Å; P301-L326 HydrophobicContact CG-CD2 4.14Å
302	W	98.9	Very high	98.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-83.6	-35.3	-178.6	-65.9	120.2	0	0	0	112.8	Y122 V124 S260 Y262 Q299 M300 L304 W305 D306 P320	Y122-W302 HydrophobicContact CD1-CZ2 4.21Å; Y122-W302 AromaticContact CD2-CH2 3.97Å; Y122-W302 HydrophobicContact CD2-CH2 3.97Å; Y122-W302 HydrophobicContact CD2-CZ2 4.15Å; Y122-W302 AromaticContact CG-CH2 3.89Å; Y122-W302 HydrophobicContact CG-CH2 3.89Å; Y122-W302 AromaticContact CG-CZ2 3.69Å; Y122-W302 HydrophobicContact CG-CZ2 3.69Å; V124-W302 HydrophobicContact CG2-CE3 4.46Å; V124-W302 HydrophobicContact CG2-CH2 3.78Å; V124-W302 HydrophobicContact CG2-CZ3 3.63Å; S260-W302 VanDerWaalsContact O-CZ2 3.23Å; S260-W302 WeakPolarHBondContact O-CZ2 3.32Å; S260-W302 PolarHBondContact O-NE1 3.05Å; S260-W302 VanDerWaalsContact OG-CD1 3.23Å; S260-W302 PolarHBondContact OG-NE1 3.44Å; Y262-W302 HydrophobicContact CD2-CB 4.24Å; Y262-W302 AromaticContact CD2-CD2 3.79Å; Y262-W302 HydrophobicContact CD2-CD2 3.79Å; Y262-W302 AromaticContact CD2-CE3 3.59Å; Y262-W302 HydrophobicContact CD2-CE3 3.59Å; Y262-W302 HydrophobicContact CD2-CG 4.09Å; Y262-W302 HydrophobicContact CD2-CZ3 4.19Å; Y262-W302 HydrophobicContact CE2-CB 4.5Å; Y262-W302 HydrophobicContact CE2-CE3 4.25Å; Q299-W302 WeakPolarHBondContact O-CA 3.14Å; Q299-W302 PolarHBondContact O-N 2.96Å; M300-W302 VanDerWaalsContact C-N 3.27Å; M300-W302 PolarHBondContact O-N 2.8Å; W302-L304 VanDerWaalsContact C-N 3.26Å; W302-L304 PolarHBondContact O-N 3.32Å; W302-W305 HydrophobicContact CE3-CB 3.86Å; W302-W305 HydrophobicContact CE3-CD2 4.28Å; W302-W305 AromaticContact CE3-CG 3.9Å; W302-W305 HydrophobicContact CE3-CG 3.9Å; W302-W305 HydrophobicContact CZ3-CB 4.43Å; W302-W305 HydrophobicContact CZ3-CD2 4.28Å; W302-W305 HydrophobicContact CZ3-CG 4.01Å; W302-W305 WeakPolarHBondContact O-CB 3.5Å; W302-W305 PolarHBondContact O-N 2.94Å; W302-W305 VanDerWaalsContact O-N 3.11Å; W302-D306 PolarHBondContact O-N 3.49Å; W302-P320 HydrophobicContact CH2-CB 4.48Å; W302-P320 HydrophobicContact CZ2-CB 4.49Å
303	E	98.9	Very high	98.6	Very high	55 Å²	55	16.8 Å²	16.8	26%	0.257	9%	0.088	S	C	.	.	H	α-helix	trans	-57.3	-43	169.1	-69.3	165	-176.8	0	0	110.7	V148 N149 Q299 M300 D306	V148-E303 HydrophobicContact CG1-CB 4.48Å; N149-E303 PolarHBondContact N-OE2 3.14Å; Q299-E303 PolarHBondContact O-N 3.3Å; M300-E303 PolarHBondContact O-N 3.34Å; E303-D306 PolarHBondContact O-N 3.5Å
304	L	98.9	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.2	-36.9	173.8	-178.5	59	0	0	0	112.8	L144 V148 M300 W302 D306 I307 L308 P321 M325 L326 I329	L144-L304 HydrophobicContact CD2-CD1 3.62Å; V148-L304 HydrophobicContact CG1-CB 4.23Å; V148-L304 HydrophobicContact CG2-CB 4.31Å; V148-L304 HydrophobicContact CG2-CD1 4.31Å; M300-L304 PolarHBondContact O-N 3.41Å; M300-L304 VanDerWaalsContact O-N 3.14Å; W302-L304 VanDerWaalsContact C-N 3.26Å; W302-L304 PolarHBondContact O-N 3.32Å; L304-D306 VanDerWaalsContact C-N 3.3Å; L304-D306 PolarHBondContact O-N 3.04Å; L304-I307 PolarHBondContact O-N 2.97Å; L304-L308 WeakPolarHBondContact O-CG 3.23Å; L304-L308 PolarHBondContact O-N 3.18Å; L304-L308 VanDerWaalsContact O-N 3.08Å; L304-P321 HydrophobicContact CB-CG 4.24Å; L304-P321 HydrophobicContact CD2-CB 4.13Å; L304-P321 HydrophobicContact CD2-CG 4Å; L304-P321 HydrophobicContact CG-CG 4Å; L304-M325 HydrophobicContact CD2-CG 3.84Å; L304-L326 HydrophobicContact CD2-CD2 3.95Å; L304-I329 HydrophobicContact CD1-CD1 4.28Å; L304-I329 HydrophobicContact CD1-CG1 4Å; L304-I329 HydrophobicContact CD2-CG1 3.76Å
305	W	98.9	Very high	98.5	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-62.4	-39	176.6	-172.4	93.4	0	0	0	111.8	V124 Y126 Y262 P301 W302 I307 L308 Q309 I316 Q317 N319 P321	V124-W305 HydrophobicContact CG1-CE3 4.27Å; V124-W305 HydrophobicContact CG1-CH2 3.4Å; V124-W305 HydrophobicContact CG1-CZ2 3.9Å; V124-W305 HydrophobicContact CG1-CZ3 3.59Å; Y126-W305 AromaticContact CD2-CZ3 3.72Å; Y126-W305 HydrophobicContact CD2-CZ3 3.72Å; Y126-W305 HydrophobicContact CG-CH2 4.48Å; Y126-W305 HydrophobicContact CG-CZ3 4.06Å; Y262-W305 HydrophobicContact CE2-CE3 4.05Å; Y262-W305 HydrophobicContact CE2-CZ3 4.3Å; P301-W305 WeakPolarHBondContact O-CB 3.37Å; P301-W305 PolarHBondContact O-N 3.5Å; W302-W305 HydrophobicContact CE3-CB 3.86Å; W302-W305 HydrophobicContact CE3-CD2 4.28Å; W302-W305 AromaticContact CE3-CG 3.9Å; W302-W305 HydrophobicContact CE3-CG 3.9Å; W302-W305 HydrophobicContact CZ3-CB 4.43Å; W302-W305 HydrophobicContact CZ3-CD2 4.28Å; W302-W305 HydrophobicContact CZ3-CG 4.01Å; W302-W305 WeakPolarHBondContact O-CB 3.5Å; W302-W305 PolarHBondContact O-N 2.94Å; W302-W305 VanDerWaalsContact O-N 3.11Å; W305-I307 VanDerWaalsContact C-N 3.32Å; W305-I307 PolarHBondContact O-N 3.03Å; W305-L308 WeakPolarHBondContact O-CB 3.48Å; W305-L308 PolarHBondContact O-N 2.97Å; W305-L308 VanDerWaalsContact O-N 3.14Å; W305-Q309 HydrophobicContact CE3-CB 4.1Å; W305-Q309 HydrophobicContact CH2-CB 3.74Å; W305-Q309 HydrophobicContact CH2-CG 3.67Å; W305-Q309 HydrophobicContact CZ2-CB 4.22Å; W305-Q309 HydrophobicContact CZ2-CG 4.38Å; W305-Q309 HydrophobicContact CZ3-CB 3.7Å; W305-Q309 HydrophobicContact CZ3-CG 3.93Å; W305-Q309 PolarHBondContact O-N 3.29Å; W305-I316 HydrophobicContact CD2-CD1 4.31Å; W305-I316 HydrophobicContact CG-CD1 4.42Å; W305-I316 HydrophobicContact CH2-CG1 4.49Å; W305-I316 HydrophobicContact CZ2-CD1 4.1Å; W305-I316 HydrophobicContact CZ2-CG1 3.56Å; W305-Q317 PolarHBondContact NE1-O 2.89Å; W305-N319 PolarHBondContact NE1-O 3.11Å; W305-P321 HydrophobicContact CB-CG 4.32Å
306	D	98.8	Very high	98.5	Very high	33 Å²	33	24.1 Å²	24.1	18%	0.176	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-46.1	178.3	-73.4	-19.3	0	0	0	110.7	Y126 Y262 H263 W302 E303 L304 L308 Q309 E310	Y126-D306 HydrophobicContact CE2-CB 4.2Å; Y262-D306 WeakPolarHBondContact CE2-OD1 3.27Å; Y262-D306 PolarHBondContact OH-OD1 2.84Å; H263-D306 IonicContact CE1-OD2 3.67Å; H263-D306 IonicContact NE2-OD1 3.95Å; H263-D306 IonicContact NE2-OD2 2.91Å; H263-D306 PolarHBondContact NE2-OD2 2.93Å; W302-D306 PolarHBondContact O-N 3.49Å; E303-D306 PolarHBondContact O-N 3.5Å; L304-D306 VanDerWaalsContact C-N 3.3Å; L304-D306 PolarHBondContact O-N 3.04Å; D306-L308 PolarHBondContact O-N 2.84Å; D306-Q309 PolarHBondContact O-N 2.95Å; D306-E310 WeakPolarHBondContact O-CB 3.49Å; D306-E310 PolarHBondContact O-N 2.89Å
307	I	98.8	Very high	98.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-41.6	175.7	-60.9	174.8	0	0	0	111.4	L140 L144 H147 V148 L304 W305 Q309 E310 I311	L140-I307 HydrophobicContact CD1-CG2 3.93Å; L144-I307 HydrophobicContact CD2-CD1 3.79Å; L144-I307 HydrophobicContact CD2-CG2 4.09Å; L144-I307 HydrophobicContact CG-CD1 4.35Å; H147-I307 HydrophobicContact CB-CD1 4.21Å; V148-I307 HydrophobicContact CG2-CD1 3.53Å; L304-I307 PolarHBondContact O-N 2.97Å; W305-I307 VanDerWaalsContact C-N 3.32Å; W305-I307 PolarHBondContact O-N 3.03Å; I307-Q309 VanDerWaalsContact C-N 3.32Å; I307-Q309 PolarHBondContact O-N 3.08Å; I307-E310 PolarHBondContact O-N 3.4Å; I307-I311 WeakPolarHBondContact O-CG1 3.32Å; I307-I311 WeakPolarHBondContact O-CG2 3.23Å; I307-I311 PolarHBondContact O-N 2.87Å; I307-I311 VanDerWaalsContact O-N 3.08Å
308	L	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-41.1	176.6	-72.4	172.6	0	0	0	111.7	L304 W305 D306 I311 S312 I316 P321 P371 E375 L378	L304-L308 WeakPolarHBondContact O-CG 3.23Å; L304-L308 PolarHBondContact O-N 3.18Å; L304-L308 VanDerWaalsContact O-N 3.08Å; W305-L308 WeakPolarHBondContact O-CB 3.48Å; W305-L308 PolarHBondContact O-N 2.97Å; W305-L308 VanDerWaalsContact O-N 3.14Å; D306-L308 PolarHBondContact O-N 2.84Å; L308-I311 HydrophobicContact CD2-CD1 4.47Å; L308-I311 WeakPolarHBondContact O-CG1 3.42Å; L308-S312 VanDerWaalsContact O-CB 3.23Å; L308-S312 WeakPolarHBondContact O-CB 3.26Å; L308-S312 PolarHBondContact O-N 3.32Å; L308-S312 VanDerWaalsContact O-N 3.15Å; L308-S312 PolarHBondContact O-OG 2.92Å; L308-I316 HydrophobicContact CB-CD1 3.67Å; L308-P321 HydrophobicContact CD1-CB 4.15Å; L308-P321 HydrophobicContact CD1-CG 3.83Å; L308-P371 HydrophobicContact CD1-CG 4.28Å; L308-E375 HydrophobicContact CD1-CG 3.79Å; L308-E375 HydrophobicContact CD2-CG 4.38Å; L308-L378 HydrophobicContact CD2-CB 4.14Å; L308-L378 HydrophobicContact CD2-CD2 3.75Å
309	Q	98.5	Very high	98.5	Very high	10 Å²	10	23 Å²	23	5%	0.047	12%	0.118	C	C	.	.	H	α-helix	trans	-68.6	-39.2	177.5	-179.1	57.5	88.9	0	0	111.2	Y126 W305 D306 I307 S312 E314 I316	Y126-Q309 HydrophobicContact CD1-CG 3.6Å; Y126-Q309 HydrophobicContact CD2-CB 4.27Å; Y126-Q309 HydrophobicContact CD2-CG 4.01Å; Y126-Q309 HydrophobicContact CE1-CG 3.77Å; Y126-Q309 HydrophobicContact CE2-CB 4.18Å; Y126-Q309 HydrophobicContact CE2-CG 4.17Å; Y126-Q309 HydrophobicContact CG-CB 4.47Å; Y126-Q309 HydrophobicContact CG-CG 3.72Å; W305-Q309 HydrophobicContact CE3-CB 4.1Å; W305-Q309 HydrophobicContact CH2-CB 3.74Å; W305-Q309 HydrophobicContact CH2-CG 3.67Å; W305-Q309 HydrophobicContact CZ2-CB 4.22Å; W305-Q309 HydrophobicContact CZ2-CG 4.38Å; W305-Q309 HydrophobicContact CZ3-CB 3.7Å; W305-Q309 HydrophobicContact CZ3-CG 3.93Å; W305-Q309 PolarHBondContact O-N 3.29Å; D306-Q309 PolarHBondContact O-N 2.95Å; I307-Q309 VanDerWaalsContact C-N 3.32Å; I307-Q309 PolarHBondContact O-N 3.08Å; Q309-S312 PolarHBondContact O-N 3.46Å; Q309-E314 PolarHBondContact NE2-O 2.97Å; Q309-I316 HydrophobicContact CB-CD1 4.06Å; Q309-I316 HydrophobicContact CB-CG1 4.26Å
310	E	98.3	Very high	98.5	Very high	19 Å²	19	20.3 Å²	20.3	9%	0.089	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-45.7	177.7	-171.1	175.1	170.4	0	0	112.3	Y126 P129 G132 I133 F135 H143 D306 I307	Y126-E310 WeakPolarHBondContact OH-CB 3.41Å; P129-E310 HydrophobicContact CB-CG 4.19Å; P129-E310 HydrophobicContact CG-CG 4.47Å; G132-E310 PolarHBondContact N-O 2.83Å; I133-E310 HydrophobicContact CB-CG 4.1Å; I133-E310 HydrophobicContact CD1-CG 3.88Å; I133-E310 WeakPolarHBondContact CD1-OE1 3.39Å; I133-E310 HydrophobicContact CG1-CG 4.09Å; I133-E310 PolarHBondContact N-O 3.37Å; F135-E310 HydrophobicContact CE2-CG 4.47Å; H143-E310 IonicContact NE2-OE2 3.63Å; D306-E310 WeakPolarHBondContact O-CB 3.49Å; D306-E310 PolarHBondContact O-N 2.89Å; I307-E310 PolarHBondContact O-N 3.4Å
311	I	97.6	Very high	98.5	Very high	36 Å²	36	20.3 Å²	20.3	19%	0.185	11%	0.105	C	C	.	.	H	α-helix	trans	-82.7	-20.2	-177	69.8	-177.8	0	0	0	113.6	F135 L140 I307 L308 L378	F135-I311 HydrophobicContact CD2-CG2 3.79Å; F135-I311 HydrophobicContact CE2-CG2 4.02Å; L140-I311 HydrophobicContact CD1-CG2 4.05Å; L140-I311 HydrophobicContact CD2-CD1 4.38Å; I307-I311 WeakPolarHBondContact O-CG1 3.32Å; I307-I311 WeakPolarHBondContact O-CG2 3.23Å; I307-I311 PolarHBondContact O-N 2.87Å; I307-I311 VanDerWaalsContact O-N 3.08Å; L308-I311 HydrophobicContact CD2-CD1 4.47Å; L308-I311 WeakPolarHBondContact O-CG1 3.42Å; I311-L378 HydrophobicContact CD1-CB 4.12Å; I311-L378 HydrophobicContact CD1-CD1 3.72Å; I311-L378 HydrophobicContact CD1-CG 4.4Å
312	S	98	Very high	98.5	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	11%	0.108	C	C	.	.	S	Bend	trans	-76.4	139.4	-176	-67.1	0	0	0	0	111.2	P131 G132 L308 Q309 E314 I316 Y374	P131-S312 CarbonylContact C-O 3.4Å; P131-S312 VanDerWaalsContact CB-O 3.23Å; P131-S312 WeakPolarHBondContact CB-O 3.49Å; G132-S312 WeakPolarHBondContact CA-O 3.49Å; G132-S312 PolarHBondContact N-O 2.89Å; L308-S312 VanDerWaalsContact O-CB 3.23Å; L308-S312 WeakPolarHBondContact O-CB 3.26Å; L308-S312 PolarHBondContact O-N 3.32Å; L308-S312 VanDerWaalsContact O-N 3.15Å; L308-S312 PolarHBondContact O-OG 2.92Å; Q309-S312 PolarHBondContact O-N 3.46Å; S312-E314 PolarHBondContact O-N 2.86Å; S312-E314 VanDerWaalsContact O-N 3.14Å; S312-I316 VanDerWaalsContact CB-CG2 3.45Å; S312-I316 WeakPolarHBondContact OG-CG2 3.21Å; S312-Y374 WeakPolarHBondContact OG-CB 3.34Å; S312-Y374 WeakPolarHBondContact OG-CD1 3.44Å
313	P	96.6	Very high	98.5	Very high	84 Å²	84	21.1 Å²	21.1	55%	0.545	11%	0.111	S	C	.	.	S	Bend	trans	-73.6	-3.8	-176.8	32	-37.5	0	0	0	114
314	E	97.6	Very high	98.5	Very high	35 Å²	35	19 Å²	19	16%	0.164	11%	0.105	C	C	.	.	S	Bend	trans	-150.1	173	-177.7	69.1	-167	137.4	0	0	110.7	S101 S102 W113 Q309 S312 I316 Y374	S101-E314 VanDerWaalsContact CA-OE1 3.29Å; S101-E314 WeakPolarHBondContact CA-OE1 3.33Å; S101-E314 WeakPolarHBondContact CB-OE1 3.45Å; S102-E314 WeakPolarHBondContact CB-OE1 3.43Å; S102-E314 WeakPolarHBondContact CB-OE2 3.43Å; S102-E314 PolarHBondContact N-OE1 3.47Å; S102-E314 PolarHBondContact OG-OE1 3.37Å; S102-E314 PolarHBondContact OG-OE2 3.41Å; W113-E314 HydrophobicContact CZ2-CG 4.38Å; Q309-E314 PolarHBondContact NE2-O 2.97Å; S312-E314 PolarHBondContact O-N 2.86Å; S312-E314 VanDerWaalsContact O-N 3.14Å; E314-I316 PolarHBondContact O-N 3.24Å; E314-Y374 HydrophobicContact CG-CE1 4.19Å; E314-Y374 WeakPolarHBondContact CG-OH 3.29Å; E314-Y374 PolarHBondContact OE1-OH 2.87Å; E314-Y374 VanDerWaalsContact OE1-OH 3.11Å
315	E	98.1	Very high	98.5	Very high	126 Å²	126	19 Å²	19	59%	0.589	11%	0.105	S	C	*	.	P	Polyproline II helix	trans	-62.7	129	174.5	-62.5	-176.2	146.5	0	0	111	W113 L117	W113-E315 VanDerWaalsContact CZ2-O 3.25Å; W113-E315 WeakPolarHBondContact CZ2-O 3.49Å; W113-E315 PolarHBondContact NE1-O 2.87Å; L117-E315 HydrophobicContact CD1-CB 4.35Å; L117-E315 HydrophobicContact CD2-CB 3.72Å
316	I	98.6	Very high	98.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-95.7	166.2	177.6	72.1	176.9	0	0	0	110.4	L117 W305 L308 Q309 S312 E314 P371 Y374	L117-I316 VanDerWaalsContact CD2-O 3.29Å; L117-I316 WeakPolarHBondContact CD2-O 3.49Å; W305-I316 HydrophobicContact CD2-CD1 4.31Å; W305-I316 HydrophobicContact CG-CD1 4.42Å; W305-I316 HydrophobicContact CH2-CG1 4.49Å; W305-I316 HydrophobicContact CZ2-CD1 4.1Å; W305-I316 HydrophobicContact CZ2-CG1 3.56Å; L308-I316 HydrophobicContact CB-CD1 3.67Å; Q309-I316 HydrophobicContact CB-CD1 4.06Å; Q309-I316 HydrophobicContact CB-CG1 4.26Å; S312-I316 VanDerWaalsContact CB-CG2 3.45Å; S312-I316 WeakPolarHBondContact OG-CG2 3.21Å; E314-I316 PolarHBondContact O-N 3.24Å; I316-P371 HydrophobicContact CB-CB 4.01Å; I316-P371 HydrophobicContact CD1-CB 3.88Å; I316-P371 HydrophobicContact CD1-CG 4.2Å; I316-P371 HydrophobicContact CG1-CB 4.2Å; I316-Y374 HydrophobicContact CB-CD2 3.73Å; I316-Y374 HydrophobicContact CB-CE2 3.77Å; I316-Y374 HydrophobicContact CB-CG 4.44Å; I316-Y374 HydrophobicContact CG2-CD1 4.02Å; I316-Y374 HydrophobicContact CG2-CD2 3.37Å; I316-Y374 HydrophobicContact CG2-CE1 4.16Å; I316-Y374 HydrophobicContact CG2-CE2 3.52Å; I316-Y374 HydrophobicContact CG2-CG 3.62Å
317	Q	98.6	Very high	98.5	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.019	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-52.5	128.7	176	-71.8	87.2	-25.6	0	0	110.3	W305 N319 A368 Y369	W305-Q317 PolarHBondContact NE1-O 2.89Å; Q317-N319 HydrophobicContact CB-CB 4.34Å; Q317-N319 PolarHBondContact O-N 3.33Å; Q317-A368 WeakPolarHBondContact CG-O 3.34Å; Q317-A368 PolarHBondContact NE2-O 3.38Å; Q317-Y369 WeakPolarHBondContact CB-O 3.39Å
318	P	98.6	Very high	98.5	Very high	8 Å²	8	17.1 Å²	17.1	5%	0.052	10%	0.095	C	C	.	.	S	Bend	trans	-79.2	49	179.9	34.8	-36.4	0	0	0	111.1	Y116 N120 V124	Y116-P318 VanDerWaalsContact O-CG 3.29Å; Y116-P318 WeakPolarHBondContact O-CG 3.38Å; N120-P318 HydrophobicContact CB-CG 4.28Å; V124-P318 HydrophobicContact CB-CB 3.75Å; V124-P318 HydrophobicContact CG1-CB 4.37Å; V124-P318 HydrophobicContact CG2-CB 3.71Å; V124-P318 WeakPolarHBondContact CG2-O 3.37Å
319	N	98.8	Very high	98.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	-133.2	148.9	-175.2	-61.9	44.8	0	0	0	106.5	Y116 W305 Q317 Y369	Y116-N319 WeakPolarHBondContact CD1-ND2 3.11Å; W305-N319 PolarHBondContact NE1-O 3.11Å; Q317-N319 HydrophobicContact CB-CB 4.34Å; Q317-N319 PolarHBondContact O-N 3.33Å; N319-Y369 HydrophobicContact CB-CD1 4.12Å; N319-Y369 HydrophobicContact CB-CE1 3.8Å; N319-Y369 HydrophobicContact CB-CE2 4.47Å; N319-Y369 WeakPolarHBondContact CB-O 3.46Å; N319-Y369 VanDerWaalsContact CG-O 3.28Å; N319-Y369 WeakPolarHBondContact ND2-CD2 3.48Å; N319-Y369 WeakPolarHBondContact ND2-CE2 3.42Å; N319-Y369 VanDerWaalsContact ND2-CZ 3.34Å; N319-Y369 PolarHBondContact ND2-O 3.01Å
320	P	98.8	Very high	98.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-64.1	159.6	-175.5	28	-36.7	0	0	0	112.1	W257 P259 P301 W302 Y369 H370	W257-P320 HydrophobicContact CH2-CB 4.2Å; W257-P320 HydrophobicContact CH2-CG 3.9Å; W257-P320 HydrophobicContact CZ3-CB 3.84Å; W257-P320 HydrophobicContact CZ3-CG 3.73Å; P259-P320 HydrophobicContact CB-CG 3.87Å; P259-P320 HydrophobicContact CG-CG 3.87Å; P301-P320 HydrophobicContact CB-CB 3.92Å; W302-P320 HydrophobicContact CH2-CB 4.48Å; W302-P320 HydrophobicContact CZ2-CB 4.49Å; P320-Y369 HydrophobicContact CG-CE1 4.42Å; P320-H370 PolarHBondContact O-ND1 3.08Å
321	P	98.9	Very high	98.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-54.2	154.7	173.3	-23.6	34.3	0	0	0	112.2	W257 P301 L304 W305 L308 M325 L326 H370 E375	W257-P321 WeakPolarHBondContact CH2-O 3.33Å; P301-P321 WeakPolarHBondContact O-CD 3.43Å; P301-P321 WeakPolarHBondContact O-CG 3.28Å; L304-P321 HydrophobicContact CB-CG 4.24Å; L304-P321 HydrophobicContact CD2-CB 4.13Å; L304-P321 HydrophobicContact CD2-CG 4Å; L304-P321 HydrophobicContact CG-CG 4Å; W305-P321 HydrophobicContact CB-CG 4.32Å; L308-P321 HydrophobicContact CD1-CB 4.15Å; L308-P321 HydrophobicContact CD1-CG 3.83Å; P321-M325 HydrophobicContact CB-CB 4.16Å; P321-M325 HydrophobicContact CB-CG 4.47Å; P321-L326 HydrophobicContact CB-CD2 4.16Å; P321-L326 HydrophobicContact CG-CD2 4.41Å; P321-H370 PolarHBondContact O-ND1 2.97Å; P321-E375 VanDerWaalsContact CA-OE1 3.28Å; P321-E375 WeakPolarHBondContact CA-OE1 3.47Å
322	S	98.9	Very high	98.6	Very high	11 Å²	11	14.1 Å²	14.1	8%	0.077	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-62.7	155	176.4	79.2	0	0	0	0	111.4	G324 M325 L326 E375	S322-G324 PolarHBondContact O-N 3.48Å; S322-G324 VanDerWaalsContact O-N 3.09Å; S322-G324 PolarHBondContact OG-N 2.02Å; S322-M325 PolarHBondContact O-N 3.11Å; S322-M325 PolarHBondContact OG-N 3.21Å; S322-L326 WeakPolarHBondContact O-CG 3.48Å; S322-L326 PolarHBondContact O-N 3.35Å; S322-L326 VanDerWaalsContact O-N 3.09Å; S322-E375 WeakPolarHBondContact CB-OE2 3.41Å; S322-E375 PolarHBondContact N-OE1 2.8Å; S322-E375 PolarHBondContact N-OE2 2.94Å; S322-E375 PolarHBondContact OG-OE2 3.32Å
323	S	98.9	Very high	98.6	Very high	9 Å²	9	15.2 Å²	15.2	6%	0.063	9%	0.086	C	C	.	.	H	α-helix	trans	-54.2	-31.7	171.9	-53.4	0	0	0	0	111.8	F211 L231 W257 L326 G327	F211-S323 WeakPolarHBondContact CE1-O 3.41Å; L231-S323 WeakPolarHBondContact CD2-O 3.48Å; W257-S323 WeakPolarHBondContact CZ2-OG 3.32Å; W257-S323 PolarHBondContact NE1-OG 3.27Å; S323-L326 PolarHBondContact O-N 3.08Å; S323-G327 PolarHBondContact O-N 3.33Å
324	G	98.9	Very high	98.7	Very high	12 Å²	12	11.7 Å²	11.7	12%	0.124	6%	0.063	C	C	.	.	H	α-helix	trans	-55.5	-53	173.7	0	0	0	0	0	112.5	S322 G327 I328	S322-G324 PolarHBondContact O-N 3.48Å; S322-G324 VanDerWaalsContact O-N 3.09Å; S322-G324 PolarHBondContact OG-N 2.02Å; G324-G327 PolarHBondContact O-N 3.02Å; G324-I328 VanDerWaalsContact O-CG1 3.32Å; G324-I328 WeakPolarHBondContact O-CG1 3.43Å; G324-I328 PolarHBondContact O-N 2.89Å
325	M	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68	-40.4	-179.6	-167	69.7	-132	0	0	112.4	L304 P321 S322 G327 I328 I329 E375 L378 V379	L304-M325 HydrophobicContact CD2-CG 3.84Å; P321-M325 HydrophobicContact CB-CB 4.16Å; P321-M325 HydrophobicContact CB-CG 4.47Å; S322-M325 PolarHBondContact O-N 3.11Å; S322-M325 PolarHBondContact OG-N 3.21Å; M325-G327 VanDerWaalsContact C-N 3.31Å; M325-G327 PolarHBondContact O-N 3.12Å; M325-I328 HydrophobicContact CE-CB 4.25Å; M325-I328 HydrophobicContact CE-CG2 4.08Å; M325-I328 PolarHBondContact O-N 3.4Å; M325-I328 HydrophobicContact SD-CD1 4.36Å; M325-I329 HydrophobicContact CE-CD1 3.65Å; M325-I329 HydrophobicContact CE-CG1 3.85Å; M325-I329 PolarHBondContact O-N 2.86Å; M325-I329 VanDerWaalsContact O-N 3.14Å; M325-E375 HydrophobicContact CB-CB 4.16Å; M325-E375 HydrophobicContact CB-CG 3.85Å; M325-E375 VanDerWaalsContact CB-OE2 3.28Å; M325-E375 WeakPolarHBondContact CB-OE2 3.28Å; M325-E375 HydrophobicContact CG-CB 4.11Å; M325-E375 HydrophobicContact CG-CG 3.89Å; M325-E375 HydrophobicContact SD-CB 3.95Å; M325-E375 HydrophobicContact SD-CG 4.38Å; M325-L378 HydrophobicContact CE-CD2 3.68Å; M325-L378 HydrophobicContact SD-CD2 4.17Å; M325-V379 HydrophobicContact CE-CG2 4.26Å; M325-V379 HydrophobicContact SD-CG2 3.86Å
326	L	98.9	Very high	98.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.4	-44.3	174.1	-58.4	178.1	0	0	0	111.2	L231 W257 L296 M300 P301 L304 P321 S322 S323 I328 I329 I330	L231-L326 HydrophobicContact CD2-CB 3.96Å; W257-L326 HydrophobicContact CD2-CD1 3.42Å; W257-L326 VanDerWaalsContact CD2-CD1 3.42Å; W257-L326 HydrophobicContact CE3-CD1 3.54Å; W257-L326 HydrophobicContact CG-CD1 3.96Å; W257-L326 HydrophobicContact CH2-CD1 3.94Å; W257-L326 HydrophobicContact CZ2-CD1 3.87Å; W257-L326 HydrophobicContact CZ3-CD1 3.8Å; L296-L326 HydrophobicContact CD2-CD1 4.4Å; M300-L326 HydrophobicContact CE-CD2 4.41Å; M300-L326 HydrophobicContact SD-CD2 3.76Å; P301-L326 HydrophobicContact CB-CD1 4.47Å; P301-L326 HydrophobicContact CB-CD2 3.98Å; P301-L326 HydrophobicContact CG-CD1 4.19Å; P301-L326 HydrophobicContact CG-CD2 4.14Å; L304-L326 HydrophobicContact CD2-CD2 3.95Å; P321-L326 HydrophobicContact CB-CD2 4.16Å; P321-L326 HydrophobicContact CG-CD2 4.41Å; S322-L326 WeakPolarHBondContact O-CG 3.48Å; S322-L326 PolarHBondContact O-N 3.35Å; S322-L326 VanDerWaalsContact O-N 3.09Å; S323-L326 PolarHBondContact O-N 3.08Å; L326-I328 VanDerWaalsContact C-N 3.34Å; L326-I328 PolarHBondContact O-N 2.9Å; L326-I329 PolarHBondContact O-N 2.89Å; L326-I330 VanDerWaalsContact O-CG1 3.27Å; L326-I330 WeakPolarHBondContact O-CG1 3.38Å; L326-I330 PolarHBondContact O-N 3.25Å
327	G	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.8	-38.4	176.6	0	0	0	0	0	113.1	S323 G324 M325 I330 M331	S323-G327 PolarHBondContact O-N 3.33Å; G324-G327 PolarHBondContact O-N 3.02Å; M325-G327 VanDerWaalsContact C-N 3.31Å; M325-G327 PolarHBondContact O-N 3.12Å; G327-I330 PolarHBondContact O-N 3.36Å; G327-M331 WeakPolarHBondContact O-CG 3.49Å; G327-M331 PolarHBondContact O-N 2.95Å
328	I	98.9	Very high	98.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.8	-50.2	175.1	-69.3	162.1	0	0	0	110.5	V186 G324 M325 L326 I330 M331 M332 I340 F343 V379 L398	V186-I328 HydrophobicContact CG1-CG1 4.15Å; V186-I328 HydrophobicContact CG2-CG1 4.46Å; G324-I328 VanDerWaalsContact O-CG1 3.32Å; G324-I328 WeakPolarHBondContact O-CG1 3.43Å; G324-I328 PolarHBondContact O-N 2.89Å; M325-I328 HydrophobicContact CE-CB 4.25Å; M325-I328 HydrophobicContact CE-CG2 4.08Å; M325-I328 PolarHBondContact O-N 3.4Å; M325-I328 HydrophobicContact SD-CD1 4.36Å; L326-I328 VanDerWaalsContact C-N 3.34Å; L326-I328 PolarHBondContact O-N 2.9Å; I328-I330 VanDerWaalsContact C-N 3.33Å; I328-I330 PolarHBondContact O-N 3.41Å; I328-M331 PolarHBondContact O-N 2.86Å; I328-M332 HydrophobicContact CG2-CG 4.42Å; I328-M332 HydrophobicContact CG2-SD 3.94Å; I328-M332 WeakPolarHBondContact O-CG 3.49Å; I328-M332 PolarHBondContact O-N 3.19Å; I328-I340 HydrophobicContact CB-CD1 4.45Å; I328-I340 HydrophobicContact CD1-CD1 3.87Å; I328-I340 HydrophobicContact CD1-CG1 4.42Å; I328-I340 HydrophobicContact CD1-CG2 3.88Å; I328-I340 HydrophobicContact CG1-CD1 3.81Å; I328-I340 HydrophobicContact CG1-CG1 4.09Å; I328-I340 HydrophobicContact CG1-CG2 4.13Å; I328-I340 HydrophobicContact CG2-CD1 3.78Å; I328-F343 HydrophobicContact CD1-CD1 4.17Å; I328-F343 HydrophobicContact CD1-CD2 4.24Å; I328-F343 HydrophobicContact CD1-CE1 4.24Å; I328-F343 HydrophobicContact CD1-CE2 4.33Å; I328-F343 HydrophobicContact CD1-CG 4.17Å; I328-F343 HydrophobicContact CD1-CZ 4.32Å; I328-V379 HydrophobicContact CD1-CG2 3.85Å; I328-L398 HydrophobicContact CG2-CD2 4.19Å
329	I	98.9	Very high	98.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65	-37.5	-179.7	-59.4	-57.5	0	0	0	111.7	L144 V148 V150 M300 L304 M325 L326 M332 T333 F401	L144-I329 HydrophobicContact CD1-CD1 4.45Å; L144-I329 HydrophobicContact CD2-CD1 4.16Å; V148-I329 HydrophobicContact CG1-CG2 4.08Å; V150-I329 HydrophobicContact CG2-CG2 3.7Å; M300-I329 HydrophobicContact CE-CB 3.78Å; M300-I329 HydrophobicContact CE-CG2 3.54Å; L304-I329 HydrophobicContact CD1-CD1 4.28Å; L304-I329 HydrophobicContact CD1-CG1 4Å; L304-I329 HydrophobicContact CD2-CG1 3.76Å; M325-I329 HydrophobicContact CE-CD1 3.65Å; M325-I329 HydrophobicContact CE-CG1 3.85Å; M325-I329 PolarHBondContact O-N 2.86Å; M325-I329 VanDerWaalsContact O-N 3.14Å; L326-I329 PolarHBondContact O-N 2.89Å; I329-M332 HydrophobicContact CD1-SD 4.1Å; I329-M332 PolarHBondContact O-N 2.69Å; I329-T333 PolarHBondContact O-N 3.14Å; I329-T333 PolarHBondContact O-OG1 2.86Å; I329-F401 HydrophobicContact CD1-CZ 4.49Å; I329-F401 HydrophobicContact CG2-CE2 4.13Å; I329-F401 HydrophobicContact CG2-CZ 4.35Å
330	I	98.9	Very high	98.9	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-58.7	-50.4	171.7	-70.3	164.7	0	0	0	110.7	V150 L231 I255 L326 G327 I328 M332 T333 L334	V150-I330 HydrophobicContact CG1-CB 4.46Å; V150-I330 HydrophobicContact CG1-CG1 3.85Å; L231-I330 HydrophobicContact CD1-CD1 4.35Å; L231-I330 HydrophobicContact CD2-CD1 4.22Å; I255-I330 HydrophobicContact CD1-CD1 4.32Å; I255-I330 HydrophobicContact CD1-CG2 4.35Å; L326-I330 VanDerWaalsContact O-CG1 3.27Å; L326-I330 WeakPolarHBondContact O-CG1 3.38Å; L326-I330 PolarHBondContact O-N 3.25Å; G327-I330 PolarHBondContact O-N 3.36Å; I328-I330 VanDerWaalsContact C-N 3.33Å; I328-I330 PolarHBondContact O-N 3.41Å; I330-M332 VanDerWaalsContact C-N 3.35Å; I330-M332 PolarHBondContact O-N 3.21Å; I330-T333 VanDerWaalsContact O-CB 3.31Å; I330-T333 WeakPolarHBondContact O-CB 3.05Å; I330-T333 PolarHBondContact O-N 2.99Å; I330-L334 HydrophobicContact CG2-CD1 3.93Å; I330-L334 WeakPolarHBondContact O-CG 3.39Å; I330-L334 PolarHBondContact O-N 3.3Å
331	M	98.9	Very high	98.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.3	-33.5	-178.7	-64.5	-53	-76.1	0	0	112.5	W181 C184 V186 A207 L209 I229 G327 I328 T333 L334 C335 V338	W181-M331 HydrophobicContact CE3-CE 4.41Å; W181-M331 HydrophobicContact CZ3-CE 4.27Å; C184-M331 HydrophobicContact CB-CE 3.53Å; V186-M331 HydrophobicContact CG2-CB 3.95Å; V186-M331 HydrophobicContact CG2-CG 3.58Å; A207-M331 HydrophobicContact CB-CE 4.19Å; L209-M331 HydrophobicContact CB-CE 4.23Å; L209-M331 HydrophobicContact CB-CG 3.85Å; L209-M331 HydrophobicContact CB-SD 3.77Å; L209-M331 HydrophobicContact CD1-CG 3.72Å; L209-M331 HydrophobicContact CD1-SD 3.63Å; L209-M331 HydrophobicContact CG-CG 4.34Å; L209-M331 HydrophobicContact CG-SD 4.32Å; I229-M331 HydrophobicContact CD1-SD 3.95Å; G327-M331 WeakPolarHBondContact O-CG 3.49Å; G327-M331 PolarHBondContact O-N 2.95Å; I328-M331 PolarHBondContact O-N 2.86Å; M331-T333 PolarHBondContact O-N 3.14Å; M331-L334 PolarHBondContact O-N 3.29Å; M331-C335 VanDerWaalsContact O-CB 3.29Å; M331-C335 WeakPolarHBondContact O-CB 3.25Å; M331-C335 PolarHBondContact O-N 3.43Å; M331-C335 PolarHBondContact O-SG 3.32Å; M331-V338 HydrophobicContact CB-CG1 3.87Å; M331-V338 HydrophobicContact CB-CG2 3.87Å
332	M	98.8	Very high	98.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62	-25.4	172.6	-72	173.7	72.8	0	0	112.1	I328 I329 I330 V338 L398 P399 G400 F401	I328-M332 HydrophobicContact CG2-CG 4.42Å; I328-M332 HydrophobicContact CG2-SD 3.94Å; I328-M332 WeakPolarHBondContact O-CG 3.49Å; I328-M332 PolarHBondContact O-N 3.19Å; I329-M332 HydrophobicContact CD1-SD 4.1Å; I329-M332 PolarHBondContact O-N 2.69Å; I330-M332 VanDerWaalsContact C-N 3.35Å; I330-M332 PolarHBondContact O-N 3.21Å; M332-V338 HydrophobicContact CG-CG2 4.04Å; M332-L398 HydrophobicContact CE-CD2 4.32Å; M332-L398 HydrophobicContact SD-CB 4.42Å; M332-L398 HydrophobicContact SD-CD2 3.81Å; M332-P399 VanDerWaalsContact CE-O 3.31Å; M332-P399 WeakPolarHBondContact CE-O 3.46Å; M332-G400 CarbonylContact O-C 3.08Å; M332-G400 WeakPolarHBondContact O-CA 3.13Å; M332-F401 HydrophobicContact CB-CD2 3.99Å; M332-F401 HydrophobicContact CB-CE1 4.48Å; M332-F401 HydrophobicContact CB-CE2 3.84Å; M332-F401 HydrophobicContact CB-CG 4.37Å; M332-F401 HydrophobicContact CB-CZ 4.1Å; M332-F401 HydrophobicContact CE-CD1 4.13Å; M332-F401 HydrophobicContact CE-CE1 3.59Å; M332-F401 HydrophobicContact CE-CZ 3.96Å; M332-F401 PolarHBondContact O-N 2.99Å; M332-F401 HydrophobicContact SD-CZ 4.41Å
333	T	98.6	Very high	98.9	Very high	27 Å²	27	8.9 Å²	8.9	17%	0.166	5%	0.05	C	C	.	.	H	α-helix	trans	-79	-24.9	176.1	-55	0	0	0	0	112.7	V150 I329 I330 M331	V150-T333 HydrophobicContact CB-CG2 4.26Å; V150-T333 WeakPolarHBondContact CG2-OG1 3.22Å; I329-T333 PolarHBondContact O-N 3.14Å; I329-T333 PolarHBondContact O-OG1 2.86Å; I330-T333 VanDerWaalsContact O-CB 3.31Å; I330-T333 WeakPolarHBondContact O-CB 3.05Å; I330-T333 PolarHBondContact O-N 2.99Å; M331-T333 PolarHBondContact O-N 3.14Å
334	L	98.7	Very high	98.9	Very high	10 Å²	10	8.5 Å²	8.5	5%	0.052	5%	0.047	C	C	.	.	H	α-helix	trans	-108.3	-10.3	-170.3	-59.8	174.9	0	0	0	113.8	R175 A178 P180 W181 I229 I330 M331	R175-L334 HydrophobicContact CG-CD2 4.19Å; A178-L334 HydrophobicContact CB-CD1 4.04Å; A178-L334 HydrophobicContact CB-CD2 4.48Å; P180-L334 WeakPolarHBondContact CA-O 3.45Å; W181-L334 HydrophobicContact CE3-CB 4.26Å; W181-L334 HydrophobicContact CZ3-CB 4.31Å; W181-L334 HydrophobicContact CZ3-CD1 4.34Å; W181-L334 PolarHBondContact N-O 2.68Å; I229-L334 HydrophobicContact CD1-CD1 3.79Å; I330-L334 HydrophobicContact CG2-CD1 3.93Å; I330-L334 WeakPolarHBondContact O-CG 3.39Å; I330-L334 PolarHBondContact O-N 3.3Å; M331-L334 PolarHBondContact O-N 3.29Å
335	C	98.8	Very high	98.8	Very high	3 Å²	3	8.6 Å²	8.6	2%	0.02	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.9	-171.1	-50.1	0	0	0	0	111.6	W181 C184 M331 V338 G400	W181-C335 CarbonylContact O-C 3.21Å; W181-C335 VanDerWaalsContact O-CA 3.29Å; W181-C335 WeakPolarHBondContact O-CA 3.16Å; C184-C335 HydrophobicContact CB-CB 3.68Å; C184-C335 WeakPolarHBondContact CB-SG 3.31Å; C184-C335 WeakPolarHBondContact SG-CB 3.29Å; C184-C335 CovalentContact SG-SG 2.02Å; C184-C335 PolarHBondContact SG-SG 2.82Å; M331-C335 VanDerWaalsContact O-CB 3.29Å; M331-C335 WeakPolarHBondContact O-CB 3.25Å; M331-C335 PolarHBondContact O-N 3.43Å; M331-C335 PolarHBondContact O-SG 3.32Å; C335-V338 HydrophobicContact CB-CG2 4.09Å; C335-G400 WeakPolarHBondContact O-CA 3.14Å
336	D	98.8	Very high	98.8	Very high	43 Å²	43	9 Å²	9	23%	0.23	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-32.6	170.4	-69.2	-22.1	0	0	0	113	W181 G182 G400 R402 T403	W181-D336 PolarHBondContact O-N 3.44Å; W181-D336 VanDerWaalsContact O-N 3.07Å; G182-D336 WeakPolarHBondContact O-CB 3.47Å; G182-D336 PolarHBondContact O-N 2.93Å; G182-D336 VanDerWaalsContact O-N 3.11Å; D336-G400 PolarHBondContact O-N 3.41Å; D336-R402 IonicContact OD1-CZ 3.68Å; D336-R402 IonicContact OD1-NE 3.95Å; D336-R402 PolarHBondContact OD1-NE 3.01Å; D336-R402 IonicContact OD1-NH2 2.65Å; D336-R402 PolarHBondContact OD1-NH2 3.36Å; D336-R402 IonicContact OD2-CZ 3.94Å; D336-R402 IonicContact OD2-NE 2.86Å; D336-R402 IonicContact OD2-NH2 3.15Å; D336-R402 PolarHBondContact OD2-NH2 3.13Å; D336-T403 HydrophobicContact CB-CG2 3.69Å; D336-T403 WeakPolarHBondContact OD1-CG2 3.23Å
337	Q	98.9	Very high	98.8	Very high	66 Å²	66	14.6 Å²	14.6	31%	0.308	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	136.4	177.4	-177.4	-176.7	-51.8	0	0	109.6	G182 C184 D339 T397	G182-Q337 PolarHBondContact O-N 3.37Å; C184-Q337 PolarHBondContact N-O 2.97Å; Q337-D339 PolarHBondContact NE2-OD1 2.79Å; Q337-D339 PolarHBondContact NE2-OD2 3.11Å; Q337-T397 HydrophobicContact CG-CG2 3.61Å
338	V	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111.8	177.1	-171.6	0	0	0	0	109.4	C184 V186 M331 M332 C335 I340 T397 L398	C184-V338 WeakPolarHBondContact O-CA 3.24Å; V186-V338 HydrophobicContact CB-CG1 4.46Å; V186-V338 HydrophobicContact CG2-CG1 3.62Å; M331-V338 HydrophobicContact CB-CG1 3.87Å; M331-V338 HydrophobicContact CB-CG2 3.87Å; M332-V338 HydrophobicContact CG-CG2 4.04Å; C335-V338 HydrophobicContact CB-CG2 4.09Å; V338-I340 HydrophobicContact CG1-CG1 3.94Å; V338-T397 WeakPolarHBondContact O-CA 3.23Å; V338-L398 PolarHBondContact N-O 3.24Å; V338-L398 PolarHBondContact O-N 3.44Å
339	D	99	Very high	98.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.3	170.1	-68	-19	0	0	0	108.9	R183 C184 A185 V186 H205 Q337 Y341 K395 A396 T397	R183-D339 IonicContact NH2-OD2 3.17Å; R183-D339 PolarHBondContact NH2-OD2 3.11Å; R183-D339 VanDerWaalsContact NH2-OD2 3.17Å; C184-D339 PolarHBondContact O-N 2.98Å; A185-D339 CarbonylContact C-O 3.54Å; A185-D339 VanDerWaalsContact CA-O 3.27Å; A185-D339 WeakPolarHBondContact CA-O 3.39Å; V186-D339 PolarHBondContact N-O 3.49Å; H205-D339 IonicContact CD2-OD2 3.99Å; H205-D339 IonicContact CE1-OD2 3Å; H205-D339 IonicContact NE2-OD2 2.79Å; H205-D339 PolarHBondContact NE2-OD2 3.04Å; Q337-D339 PolarHBondContact NE2-OD1 2.79Å; Q337-D339 PolarHBondContact NE2-OD2 3.11Å; D339-Y341 HydrophobicContact CB-CE2 3.65Å; D339-Y341 WeakPolarHBondContact CB-OH 3.43Å; D339-K395 WeakPolarHBondContact OD2-CE 3.47Å; D339-K395 IonicContact OD2-NZ 2.68Å; D339-K395 PolarHBondContact OD2-NZ 2.59Å; D339-A396 CarbonylContact C-O 3.57Å; D339-A396 WeakPolarHBondContact CA-O 3.31Å; D339-T397 WeakPolarHBondContact OD1-CB 3.08Å; D339-T397 VanDerWaalsContact OD1-CG2 3.32Å; D339-T397 WeakPolarHBondContact OD1-CG2 3.47Å; D339-T397 PolarHBondContact OD1-OG1 3.14Å
340	I	98.9	Very high	98.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.4	-170.8	-52.1	160	0	0	0	108.2	V186 I328 V338 F343 V379 K395 A396 L398	V186-I340 HydrophobicContact CB-CG1 4.29Å; V186-I340 HydrophobicContact CB-CG2 4.25Å; V186-I340 HydrophobicContact CG1-CG2 4.3Å; V186-I340 WeakPolarHBondContact O-CA 3.41Å; I328-I340 HydrophobicContact CB-CD1 4.45Å; I328-I340 HydrophobicContact CD1-CD1 3.87Å; I328-I340 HydrophobicContact CD1-CG1 4.42Å; I328-I340 HydrophobicContact CD1-CG2 3.88Å; I328-I340 HydrophobicContact CG1-CD1 3.81Å; I328-I340 HydrophobicContact CG1-CG1 4.09Å; I328-I340 HydrophobicContact CG1-CG2 4.13Å; I328-I340 HydrophobicContact CG2-CD1 3.78Å; V338-I340 HydrophobicContact CG1-CG1 3.94Å; I340-F343 HydrophobicContact CG2-CB 3.49Å; I340-F343 VanDerWaalsContact CG2-CB 3.49Å; I340-F343 HydrophobicContact CG2-CG 4.22Å; I340-V379 HydrophobicContact CD1-CG1 4.06Å; I340-K395 WeakPolarHBondContact O-CA 3.44Å; I340-A396 PolarHBondContact N-O 2.95Å; I340-A396 PolarHBondContact O-N 3.08Å; I340-L398 HydrophobicContact CD1-CD1 4.01Å; I340-L398 HydrophobicContact CD1-CD2 4.21Å; I340-L398 HydrophobicContact CD1-CG 4.47Å
341	Y	98.9	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.3	-171.4	-61.6	-88.5	0	0	0	112	A185 V186 S188 L198 E201 I202 H205 D339 F343 G394 K395	A185-Y341 HydrophobicContact CB-CD2 4.19Å; A185-Y341 HydrophobicContact CB-CE2 3.79Å; V186-Y341 PolarHBondContact O-N 3.4Å; S188-Y341 VanDerWaalsContact CB-O 3.23Å; S188-Y341 WeakPolarHBondContact CB-O 3.16Å; S188-Y341 PolarHBondContact N-O 3.42Å; S188-Y341 VanDerWaalsContact N-O 3.08Å; S188-Y341 PolarHBondContact OG-O 3.49Å; L198-Y341 HydrophobicContact CD1-CD1 4.02Å; L198-Y341 HydrophobicContact CD2-CD1 4.22Å; L198-Y341 HydrophobicContact CD2-CE1 4.33Å; E201-Y341 HydrophobicContact CG-CE1 4.42Å; E201-Y341 PolarHBondContact OE1-OH 2.88Å; I202-Y341 HydrophobicContact CG1-CD1 4.49Å; I202-Y341 HydrophobicContact CG1-CD2 4.05Å; I202-Y341 HydrophobicContact CG1-CE2 4.15Å; I202-Y341 HydrophobicContact CG1-CG 4.24Å; H205-Y341 AromaticContact CE1-CE2 4Å; H205-Y341 AromaticContact CE1-CZ 3.87Å; H205-Y341 PolarHBondContact CE1-OH 3.11Å; H205-Y341 PolarHBondContact NE2-OH 3.01Å; D339-Y341 HydrophobicContact CB-CE2 3.65Å; D339-Y341 WeakPolarHBondContact CB-OH 3.43Å; Y341-F343 PolarHBondContact O-N 3.49Å; Y341-F343 VanDerWaalsContact O-N 3.14Å; Y341-G394 CarbonylContact C-O 3.53Å; Y341-G394 WeakPolarHBondContact CA-O 3.29Å; Y341-K395 HydrophobicContact CD1-CB 4.28Å; Y341-K395 HydrophobicContact CE1-CB 4.16Å; Y341-K395 HydrophobicContact CE1-CD 3.91Å; Y341-K395 HydrophobicContact CE1-CG 4.04Å; Y341-K395 PolarHBondContact OH-NZ 2.91Å; Y341-K395 VanDerWaalsContact OH-NZ 3.17Å
342	E	98.9	Very high	98.6	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.014	15%	0.149	C	C	.	.	S	Bend	trans	54.6	27.9	177.4	-66	-69.9	176.6	0	0	113.9	S188 A190 S192 L193 S346 R348 G394	S188-E342 WeakPolarHBondContact CB-O 3.31Å; S188-E342 VanDerWaalsContact OG-C 3.29Å; S188-E342 PolarHBondContact OG-O 2.82Å; A190-E342 HydrophobicContact CB-CB 4.31Å; S192-E342 WeakPolarHBondContact CB-OE2 3.45Å; S192-E342 VanDerWaalsContact OG-CD 3.23Å; S192-E342 PolarHBondContact OG-OE2 2.84Å; L193-E342 HydrophobicContact CD2-CB 3.96Å; L193-E342 HydrophobicContact CD2-CG 3.61Å; L193-E342 HydrophobicContact CG-CB 3.81Å; L193-E342 HydrophobicContact CG-CG 3.74Å; E342-S346 VanDerWaalsContact OE1-CB 3.26Å; E342-S346 WeakPolarHBondContact OE1-CB 3.4Å; E342-S346 PolarHBondContact OE1-OG 2.8Å; E342-S346 PolarHBondContact OE2-N 3.29Å; E342-R348 IonicContact OE1-CZ 2.82Å; E342-R348 IonicContact OE1-NE 2.68Å; E342-R348 PolarHBondContact OE1-NE 3.07Å; E342-R348 IonicContact OE1-NH2 3.32Å; E342-R348 PolarHBondContact OE1-NH2 2.89Å; E342-G394 PolarHBondContact N-O 3.13Å
343	F	98.8	Very high	98.5	Very high	11 Å²	11	30.3 Å²	30.3	5%	0.048	15%	0.15	C	C	.	.	S	Bend	trans	-82.5	-56	163.1	-171.7	-96.9	0	0	0	109.5	I328 I340 Y341 L372 E375 K376 V379	I328-F343 HydrophobicContact CD1-CD1 4.17Å; I328-F343 HydrophobicContact CD1-CD2 4.24Å; I328-F343 HydrophobicContact CD1-CE1 4.24Å; I328-F343 HydrophobicContact CD1-CE2 4.33Å; I328-F343 HydrophobicContact CD1-CG 4.17Å; I328-F343 HydrophobicContact CD1-CZ 4.32Å; I340-F343 HydrophobicContact CG2-CB 3.49Å; I340-F343 VanDerWaalsContact CG2-CB 3.49Å; I340-F343 HydrophobicContact CG2-CG 4.22Å; Y341-F343 PolarHBondContact O-N 3.49Å; Y341-F343 VanDerWaalsContact O-N 3.14Å; F343-L372 HydrophobicContact CE2-CD1 3.71Å; F343-L372 HydrophobicContact CZ-CD1 3.77Å; F343-E375 HydrophobicContact CE1-CB 4.38Å; F343-E375 HydrophobicContact CZ-CB 3.88Å; F343-K376 HydrophobicContact CD1-CG 3.9Å; F343-K376 HydrophobicContact CE1-CB 4.3Å; F343-K376 HydrophobicContact CE1-CG 3.51Å; F343-K376 HydrophobicContact CZ-CG 4.06Å; F343-K376 WeakPolarHBondContact O-CE 3.21Å; F343-K376 PolarHBondContact O-NZ 3.34Å; F343-V379 HydrophobicContact CD1-CB 4.13Å; F343-V379 HydrophobicContact CD1-CG1 4.21Å; F343-V379 HydrophobicContact CD1-CG2 3.88Å; F343-V379 HydrophobicContact CE1-CB 4.1Å; F343-V379 HydrophobicContact CE1-CG2 3.57Å
344	L	98.8	Very high	98.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-77.8	118.4	158.9	-57.2	-171.1	0	0	0	107.5	W96 K376 V379 K380 I390 A396	W96-L344 HydrophobicContact CB-CD2 4.15Å; W96-L344 HydrophobicContact CG-CD2 4.05Å; L344-K376 HydrophobicContact CD2-CB 3.74Å; L344-K376 HydrophobicContact CD2-CG 4.02Å; L344-K376 WeakPolarHBondContact CD2-O 3.29Å; L344-V379 HydrophobicContact CD1-CG1 4.13Å; L344-V379 HydrophobicContact CD2-CB 4.32Å; L344-V379 HydrophobicContact CD2-CG1 4.32Å; L344-V379 HydrophobicContact CG-CG1 4.03Å; L344-K380 HydrophobicContact CD1-CB 3.9Å; L344-K380 HydrophobicContact CD1-CD 3.95Å; L344-K380 HydrophobicContact CD2-CB 4.36Å; L344-I390 HydrophobicContact CB-CG2 4.03Å; L344-I390 HydrophobicContact CD1-CD1 3.83Å; L344-I390 HydrophobicContact CD1-CG1 4.34Å; L344-A396 HydrophobicContact CD1-CB 4.01Å; L344-A396 HydrophobicContact CG-CB 4.42Å
345	P	98.4	Very high	98.5	Very high	13 Å²	13	32.5 Å²	32.5	8%	0.084	16%	0.155	C	C	.	.			trans	-71.2	139.7	-171.1	29.6	-34.7	0	0	0	111.1	W96 K349 T365	W96-P345 HydrophobicContact CE3-CG 4.02Å; W96-P345 HydrophobicContact CZ3-CG 4.34Å; P345-K349 HydrophobicContact CB-CB 3.98Å; P345-K349 HydrophobicContact CB-CD 4.29Å; P345-K349 HydrophobicContact CB-CG 3.93Å; P345-K349 HydrophobicContact CG-CD 4.11Å; P345-K349 HydrophobicContact CG-CG 4.29Å; P345-T365 HydrophobicContact CB-CG2 4.45Å; P345-T365 HydrophobicContact CG-CG2 4.44Å
346	S	98.7	Very high	98.5	Very high	8 Å²	8	35.1 Å²	35.1	6%	0.056	17%	0.165	C	C	.	.			trans	-77.3	-172	171.6	70.2	0	0	0	0	112.8	E342 R348 K349 I390 Y391	E342-S346 VanDerWaalsContact OE1-CB 3.26Å; E342-S346 WeakPolarHBondContact OE1-CB 3.4Å; E342-S346 PolarHBondContact OE1-OG 2.8Å; E342-S346 PolarHBondContact OE2-N 3.29Å; S346-R348 PolarHBondContact O-N 3.05Å; S346-R348 WeakPolarHBondContact OG-CB 3.46Å; S346-R348 VanDerWaalsContact OG-CZ 3.23Å; S346-R348 PolarHBondContact OG-N 3.34Å; S346-R348 PolarHBondContact OG-NE 3.02Å; S346-R348 PolarHBondContact OG-NH2 3.05Å; S346-K349 WeakPolarHBondContact O-CB 3.3Å; S346-K349 PolarHBondContact O-N 3.19Å; S346-I390 VanDerWaalsContact CA-O 3.25Å; S346-I390 WeakPolarHBondContact CA-O 3.29Å; S346-I390 WeakPolarHBondContact CB-O 3.37Å; S346-Y391 WeakPolarHBondContact CB-O 3.44Å
347	K	98.2	Very high	98.4	Very high	118 Å²	118	36.6 Å²	36.6	51%	0.513	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-15.2	165.4	71	-174.2	178	-179.3	0	114.1	K349 Y391 L392	K347-K349 VanDerWaalsContact C-N 3.27Å; K347-Y391 HydrophobicContact CB-CD2 4.02Å; K347-Y391 HydrophobicContact CB-CE1 4.14Å; K347-Y391 HydrophobicContact CB-CE2 3.6Å; K347-Y391 HydrophobicContact CB-CG 4.46Å; K347-Y391 WeakPolarHBondContact CB-O 3.35Å; K347-Y391 HydrophobicContact CD-CD1 4.35Å; K347-Y391 HydrophobicContact CD-CE1 3.84Å; K347-Y391 WeakPolarHBondContact CG-O 3.25Å; K347-Y391 PolarHBondContact N-O 3.42Å; K347-L392 HydrophobicContact CD-CD2 4.26Å
348	R	98.6	Very high	98.2	Very high	53 Å²	53	42.6 Å²	42.6	20%	0.2	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	9.3	174.2	-60.4	174.2	-68.8	-81.9	-3.3	113.3	S192 E342 S346 T350 L392 L393	S192-R348 VanDerWaalsContact CB-O 3.28Å; S192-R348 WeakPolarHBondContact CB-O 3.28Å; S192-R348 WeakPolarHBondContact O-CD 3.45Å; S192-R348 PolarHBondContact O-NE 3.4Å; E342-R348 IonicContact OE1-CZ 2.82Å; E342-R348 IonicContact OE1-NE 2.68Å; E342-R348 PolarHBondContact OE1-NE 3.07Å; E342-R348 IonicContact OE1-NH2 3.32Å; E342-R348 PolarHBondContact OE1-NH2 2.89Å; S346-R348 PolarHBondContact O-N 3.05Å; S346-R348 WeakPolarHBondContact OG-CB 3.46Å; S346-R348 VanDerWaalsContact OG-CZ 3.23Å; S346-R348 PolarHBondContact OG-N 3.34Å; S346-R348 PolarHBondContact OG-NE 3.02Å; S346-R348 PolarHBondContact OG-NH2 3.05Å; R348-T350 PolarHBondContact O-N 2.79Å; R348-L392 PolarHBondContact NH1-O 3.37Å; R348-L392 PolarHBondContact NH2-O 3.24Å; R348-L393 PolarHBondContact NH2-O 3.5Å
349	K	98.3	Very high	98.1	Very high	115 Å²	115	47 Å²	47	50%	0.5	21%	0.214	S	C	.	.			trans	-44.2	127.4	176.4	-172.9	179.7	178	-179.6	0	110.6	P345 S346 K347 T365	P345-K349 HydrophobicContact CB-CB 3.98Å; P345-K349 HydrophobicContact CB-CD 4.29Å; P345-K349 HydrophobicContact CB-CG 3.93Å; P345-K349 HydrophobicContact CG-CD 4.11Å; P345-K349 HydrophobicContact CG-CG 4.29Å; S346-K349 WeakPolarHBondContact O-CB 3.3Å; S346-K349 PolarHBondContact O-N 3.19Å; K347-K349 VanDerWaalsContact C-N 3.27Å; K349-T365 HydrophobicContact CG-CG2 4.43Å
350	T	98.1	Very high	98	Very high	45 Å²	45	54 Å²	54	28%	0.276	25%	0.245	S	C	.	.			trans	-145.6	159.6	-174.6	-176.6	0	0	0	0	110.7	R348 V352	R348-T350 PolarHBondContact O-N 2.79Å; T350-V352 VanDerWaalsContact C-N 3.3Å; T350-V352 HydrophobicContact CG2-CB 3.92Å; T350-V352 PolarHBondContact OG1-N 3.45Å
351	D	97.5	Very high	97.8	Very high	85 Å²	85	55.7 Å²	55.7	46%	0.455	25%	0.254	S	S	.	.	S	Bend	trans	-81.4	-11.1	171.1	-73.3	-14.8	0	0	0	112.1	C353 F360 D361 S362	D351-C353 PolarHBondContact O-N 3.16Å; D351-F360 HydrophobicContact CB-CB 4.22Å; D351-F360 HydrophobicContact CB-CD1 4.14Å; D351-F360 CarbonylContact O-C 3.56Å; D351-F360 WeakPolarHBondContact O-CA 3.45Å; D351-D361 PolarHBondContact O-N 3.44Å; D351-S362 WeakPolarHBondContact OD1-CB 2.99Å
352	V	98.1	Very high	97.6	Very high	31 Å²	31	56.5 Å²	56.5	19%	0.188	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-60.1	115.3	171.3	178.9	0	0	0	0	108.6	G191 T350 Y354 F360	G191-V352 VanDerWaalsContact CA-O 3.3Å; G191-V352 WeakPolarHBondContact CA-O 2.91Å; G191-V352 PolarHBondContact N-O 3.42Å; T350-V352 VanDerWaalsContact C-N 3.3Å; T350-V352 HydrophobicContact CG2-CB 3.92Å; T350-V352 PolarHBondContact OG1-N 3.45Å; V352-Y354 WeakPolarHBondContact CG1-O 3.41Å; V352-Y354 PolarHBondContact O-N 3.49Å; V352-F360 HydrophobicContact CG2-CD1 3.77Å; V352-F360 HydrophobicContact CG2-CE1 3.4Å; V352-F360 VanDerWaalsContact CG2-CE1 3.4Å; V352-F360 HydrophobicContact CG2-CZ 4.03Å
353	C	96.8	Very high	97.4	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.014	26%	0.263	C	S	.	.			trans	-66.8	-43.6	-169.2	178.5	0	0	0	0	112.2	G191 D351 F359 C364	G191-C353 PolarHBondContact N-O 3.45Å; D351-C353 PolarHBondContact O-N 3.16Å; C353-F359 HydrophobicContact CB-CD2 3.91Å; C353-F359 HydrophobicContact CB-CE1 4.4Å; C353-F359 HydrophobicContact CB-CE2 3.25Å; C353-F359 HydrophobicContact CB-CZ 3.54Å; C353-F359 PolarHBondContact N-O 2.85Å; C353-F359 WeakPolarHBondContact SG-CZ 3.33Å; C353-C364 HydrophobicContact CB-CB 3.71Å; C353-C364 WeakPolarHBondContact CB-SG 3.47Å; C353-C364 WeakPolarHBondContact SG-CB 3.47Å; C353-C364 CovalentContact SG-SG 2.01Å; C353-C364 PolarHBondContact SG-SG 3.32Å
354	Y	98.6	Very high	97.2	Very high	74 Å²	74	58.1 Å²	58.1	29%	0.29	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-133.6	144	-178.2	-53.2	-67.8	0	0	0	112.8	S189 V352 Y356 Q357 F359	S189-Y354 WeakPolarHBondContact O-CA 3.46Å; S189-Y354 WeakPolarHBondContact O-CD1 3.45Å; V352-Y354 WeakPolarHBondContact CG1-O 3.41Å; V352-Y354 PolarHBondContact O-N 3.49Å; Y354-Y356 HydrophobicContact CD1-CE1 4.33Å; Y354-Y356 HydrophobicContact CG-CE1 4.19Å; Y354-Y356 PolarHBondContact O-N 3.19Å; Y354-Y356 VanDerWaalsContact O-N 3.14Å; Y354-Q357 HydrophobicContact CD2-CB 4.41Å; Y354-Q357 HydrophobicContact CD2-CG 4.24Å; Y354-Q357 VanDerWaalsContact CD2-OE1 3.27Å; Y354-Q357 PolarHBondContact O-N 3.03Å; Y354-Q357 VanDerWaalsContact O-O 3.09Å; Y354-F359 HydrophobicContact CD2-CE1 4.1Å; Y354-F359 HydrophobicContact CD2-CZ 4.09Å; Y354-F359 HydrophobicContact CE2-CE1 4.13Å; Y354-F359 AromaticContact CE2-CZ 3.85Å; Y354-F359 HydrophobicContact CE2-CZ 3.85Å
355	Y	98.7	Very high	97.1	Very high	10 Å²	10	58.5 Å²	58.5	4%	0.039	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26	179.9	64.2	-99.5	0	0	0	113.4	S189 L193 A214 P215 F219 V223	S189-Y355 WeakPolarHBondContact O-CD1 3.35Å; S189-Y355 PolarHBondContact O-N 2.84Å; L193-Y355 HydrophobicContact CB-CD1 4.27Å; L193-Y355 HydrophobicContact CB-CG 4.46Å; L193-Y355 HydrophobicContact CD1-CD1 3.64Å; L193-Y355 HydrophobicContact CD1-CE1 3.95Å; A214-Y355 HydrophobicContact CB-CE1 4.29Å; A214-Y355 VanDerWaalsContact CB-OH 3.3Å; A214-Y355 WeakPolarHBondContact CB-OH 3.39Å; P215-Y355 HydrophobicContact CG-CE2 4.4Å; P215-Y355 WeakPolarHBondContact O-CE2 3.3Å; P215-Y355 PolarHBondContact O-OH 3.33Å; F219-Y355 HydrophobicContact CB-CD2 4.23Å; F219-Y355 HydrophobicContact CB-CE2 4.11Å; F219-Y355 AromaticContact CD1-CD2 3.76Å; F219-Y355 HydrophobicContact CD1-CD2 3.76Å; F219-Y355 HydrophobicContact CD1-CE2 4.34Å; F219-Y355 HydrophobicContact CD2-CD2 4.17Å; F219-Y355 AromaticContact CD2-CE2 3.99Å; F219-Y355 HydrophobicContact CD2-CE2 3.99Å; F219-Y355 HydrophobicContact CE1-CD2 4.14Å; F219-Y355 VanDerWaalsContact CE1-O 3.31Å; F219-Y355 WeakPolarHBondContact CE1-O 3.5Å; F219-Y355 AromaticContact CG-CD2 3.78Å; F219-Y355 HydrophobicContact CG-CD2 3.78Å; F219-Y355 AromaticContact CG-CE2 3.88Å; F219-Y355 HydrophobicContact CG-CE2 3.88Å; V223-Y355 HydrophobicContact CG1-CD1 4.23Å; V223-Y355 HydrophobicContact CG1-CD2 4.09Å; V223-Y355 HydrophobicContact CG1-CE1 4.09Å; V223-Y355 HydrophobicContact CG1-CE2 3.97Å; V223-Y355 HydrophobicContact CG1-CG 4.22Å; V223-Y355 HydrophobicContact CG2-CE2 4.34Å
356	Y	98.1	Very high	97	Very high	57 Å²	57	59.4 Å²	59.4	22%	0.224	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.6	-179.3	59.1	-87	0	0	0	113.5	A214 P215 Y354	A214-Y356 HydrophobicContact CB-CD1 4.38Å; A214-Y356 HydrophobicContact CB-CE1 3.71Å; P215-Y356 HydrophobicContact CG-CD1 4.48Å; P215-Y356 HydrophobicContact CG-CD2 4.46Å; P215-Y356 HydrophobicContact CG-CG 3.98Å; Y354-Y356 HydrophobicContact CD1-CE1 4.33Å; Y354-Y356 HydrophobicContact CG-CE1 4.19Å; Y354-Y356 PolarHBondContact O-N 3.19Å; Y354-Y356 VanDerWaalsContact O-N 3.14Å
357	Q	96.2	Very high	96.9	Very high	74 Å²	74	59.2 Å²	59.2	35%	0.346	28%	0.278	S	S	.	.			trans	-131.7	169.7	177	-59.2	-168.2	-11.4	0	0	111.3	Y354 F359	Y354-Q357 HydrophobicContact CD2-CB 4.41Å; Y354-Q357 HydrophobicContact CD2-CG 4.24Å; Y354-Q357 VanDerWaalsContact CD2-OE1 3.27Å; Y354-Q357 PolarHBondContact O-N 3.03Å; Y354-Q357 VanDerWaalsContact O-O 3.09Å; Q357-F359 HydrophobicContact CB-CD1 4.35Å
358	K	95.4	Very high	96.8	Very high	192 Å²	192	54.6 Å²	54.6	84%	0.835	26%	0.262	S	S	*	.			trans	-118.6	2.1	-172.7	-60.5	-174.5	-178.7	-177.9	0	114.1	F360	K358-F360 WeakPolarHBondContact O-CE2 3.34Å
359	F	96.1	Very high	96.8	Very high	92 Å²	92	54.6 Å²	54.6	40%	0.404	26%	0.262	S	S	.	.			trans	-87.1	154.3	178.9	80.5	-107.1	0	0	0	111.1	C353 Y354 Q357 D361	C353-F359 HydrophobicContact CB-CD2 3.91Å; C353-F359 HydrophobicContact CB-CE1 4.4Å; C353-F359 HydrophobicContact CB-CE2 3.25Å; C353-F359 HydrophobicContact CB-CZ 3.54Å; C353-F359 PolarHBondContact N-O 2.85Å; C353-F359 WeakPolarHBondContact SG-CZ 3.33Å; Y354-F359 HydrophobicContact CD2-CE1 4.1Å; Y354-F359 HydrophobicContact CD2-CZ 4.09Å; Y354-F359 HydrophobicContact CE2-CE1 4.13Å; Y354-F359 AromaticContact CE2-CZ 3.85Å; Y354-F359 HydrophobicContact CE2-CZ 3.85Å; Q357-F359 HydrophobicContact CB-CD1 4.35Å; F359-D361 HydrophobicContact CD2-CB 4.24Å; F359-D361 HydrophobicContact CE2-CB 3.92Å
360	F	97.3	Very high	96.8	Very high	148 Å²	148	51.5 Å²	51.5	65%	0.649	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-109.5	125.5	-177.6	-59	-98.2	0	0	0	109.8	D351 V352 K358	D351-F360 HydrophobicContact CB-CB 4.22Å; D351-F360 HydrophobicContact CB-CD1 4.14Å; D351-F360 CarbonylContact O-C 3.56Å; D351-F360 WeakPolarHBondContact O-CA 3.45Å; V352-F360 HydrophobicContact CG2-CD1 3.77Å; V352-F360 HydrophobicContact CG2-CE1 3.4Å; V352-F360 VanDerWaalsContact CG2-CE1 3.4Å; V352-F360 HydrophobicContact CG2-CZ 4.03Å; K358-F360 WeakPolarHBondContact O-CE2 3.34Å
361	D	95.4	Very high	96.8	Very high	38 Å²	38	49.4 Å²	49.4	20%	0.203	24%	0.237	C	C	.	.			trans	-155.8	110.3	169.3	-163.7	10	0	0	0	110.9	R108 D351 F359 A363 C364	R108-D361 IonicContact CZ-OD1 3.53Å; R108-D361 IonicContact NH1-OD1 2.63Å; R108-D361 IonicContact NH2-OD1 3.03Å; R108-D361 PolarHBondContact NH2-OD1 3.17Å; R108-D361 IonicContact NH2-OD2 2.87Å; D351-D361 PolarHBondContact O-N 3.44Å; F359-D361 HydrophobicContact CD2-CB 4.24Å; F359-D361 HydrophobicContact CE2-CB 3.92Å; D361-A363 PolarHBondContact O-N 3.49Å; D361-A363 VanDerWaalsContact O-N 3.09Å; D361-A363 WeakPolarHBondContact OD1-CB 3.48Å; D361-A363 PolarHBondContact OD1-N 3.26Å; D361-C364 WeakPolarHBondContact O-CB 3.24Å; D361-C364 PolarHBondContact O-N 3.1Å
362	S	94.3	Very high	96.9	Very high	17 Å²	17	46.2 Å²	46.2	12%	0.119	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.9	177.9	61.7	0	0	0	0	112.9	D351 C364 T365 M366	D351-S362 WeakPolarHBondContact OD1-CB 2.99Å; S362-C364 PolarHBondContact O-N 2.99Å; S362-T365 PolarHBondContact O-N 3.48Å; S362-T365 VanDerWaalsContact O-N 3.13Å; S362-M366 WeakPolarHBondContact O-CB 3.39Å; S362-M366 PolarHBondContact O-N 3.45Å
363	A	94.9	Very high	96.9	Very high	10 Å²	10	44.9 Å²	44.9	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-30.5	172.3	0	0	0	0	0	113.4	L109 D361 T365 G367 A368	L109-A363 HydrophobicContact CD2-CB 3.87Å; D361-A363 PolarHBondContact O-N 3.49Å; D361-A363 VanDerWaalsContact O-N 3.09Å; D361-A363 WeakPolarHBondContact OD1-CB 3.48Å; D361-A363 PolarHBondContact OD1-N 3.26Å; A363-T365 PolarHBondContact O-N 3.48Å; A363-G367 CarbonylContact O-C 3.59Å; A363-G367 VanDerWaalsContact O-CA 3.23Å; A363-G367 WeakPolarHBondContact O-CA 3.31Å; A363-G367 PolarHBondContact O-N 3.1Å; A363-A368 HydrophobicContact CB-CB 3.66Å
364	C	95	Very high	97	Very high	38 Å²	38	44.9 Å²	44.9	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-68.3	-27.1	178.3	-60	0	0	0	0	112.6	C353 D361 S362 L372	C353-C364 HydrophobicContact CB-CB 3.71Å; C353-C364 WeakPolarHBondContact CB-SG 3.47Å; C353-C364 WeakPolarHBondContact SG-CB 3.47Å; C353-C364 CovalentContact SG-SG 2.01Å; C353-C364 PolarHBondContact SG-SG 3.32Å; D361-C364 WeakPolarHBondContact O-CB 3.24Å; D361-C364 PolarHBondContact O-N 3.1Å; S362-C364 PolarHBondContact O-N 2.99Å; C364-L372 VanDerWaalsContact O-CD2 3.24Å; C364-L372 WeakPolarHBondContact O-CD2 3.35Å
365	T	95.9	Very high	97	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-97.4	-34.7	179	-58.1	0	0	0	0	111.8	P345 K349 S362 A363 K376	P345-T365 HydrophobicContact CB-CG2 4.45Å; P345-T365 HydrophobicContact CG-CG2 4.44Å; K349-T365 HydrophobicContact CG-CG2 4.43Å; S362-T365 PolarHBondContact O-N 3.48Å; S362-T365 VanDerWaalsContact O-N 3.13Å; A363-T365 PolarHBondContact O-N 3.48Å; T365-K376 VanDerWaalsContact O-CE 3.24Å; T365-K376 WeakPolarHBondContact O-CE 3.3Å; T365-K376 PolarHBondContact O-NZ 2.92Å
366	M	97.4	Very high	97	Very high	32 Å²	32	41.3 Å²	41.3	16%	0.158	20%	0.197	C	C	.	.	H	α-helix	trans	-103.9	-13	-172.2	-59.4	-55.9	-58.5	0	0	114.1	W96 L105 L109 S362 L373	W96-M366 HydrophobicContact CH2-CE 3.74Å; W96-M366 HydrophobicContact CH2-SD 4.01Å; W96-M366 HydrophobicContact CZ3-CE 4.08Å; W96-M366 HydrophobicContact CZ3-SD 3.91Å; L105-M366 HydrophobicContact CD2-CB 3.98Å; L105-M366 HydrophobicContact CD2-CE 4.09Å; L109-M366 HydrophobicContact CD1-CB 3.66Å; L109-M366 HydrophobicContact CD1-CG 4.36Å; S362-M366 WeakPolarHBondContact O-CB 3.39Å; S362-M366 PolarHBondContact O-N 3.45Å; M366-L373 HydrophobicContact CE-CD1 3.79Å
367	G	95.8	Very high	97.1	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	19%	0.19	C	C	.	.			trans	97.3	145	-176.5	0	0	0	0	0	113.8	A363	A363-G367 CarbonylContact O-C 3.59Å; A363-G367 VanDerWaalsContact O-CA 3.23Å; A363-G367 WeakPolarHBondContact O-CA 3.31Å; A363-G367 PolarHBondContact O-N 3.1Å
368	A	96.8	Very high	97.2	Very high	22 Å²	22	35.8 Å²	35.8	18%	0.182	17%	0.174	C	C	.	.	S	Bend	trans	-142.2	-76.9	170	0	0	0	0	0	109.3	I112 Y116 Q317 A363	I112-A368 HydrophobicContact CG2-CB 3.82Å; Y116-A368 WeakPolarHBondContact CD2-O 3.47Å; Y116-A368 WeakPolarHBondContact CE2-O 3.17Å; Q317-A368 WeakPolarHBondContact CG-O 3.34Å; Q317-A368 PolarHBondContact NE2-O 3.38Å; A363-A368 HydrophobicContact CB-CB 3.66Å
369	Y	98.1	Very high	97.4	Very high	52 Å²	52	26.7 Å²	26.7	20%	0.204	13%	0.134	C	C	.	.	S	Bend	trans	-69.4	-49.9	175.7	173.3	-79.8	0	0	0	111.4	Y116 Y122 Q317 N319 P320	Y116-Y369 AromaticContact CE1-CD2 3.73Å; Y116-Y369 HydrophobicContact CE1-CD2 3.73Å; Y116-Y369 HydrophobicContact CE1-CG 4.4Å; Y122-Y369 HydrophobicContact CE2-CE2 4.36Å; Y122-Y369 AromaticContact CE2-CZ 3.98Å; Y122-Y369 WeakPolarHBondContact CE2-OH 3.47Å; Y122-Y369 PolarHBondContact OH-OH 3.44Å; Q317-Y369 WeakPolarHBondContact CB-O 3.39Å; N319-Y369 HydrophobicContact CB-CD1 4.12Å; N319-Y369 HydrophobicContact CB-CE1 3.8Å; N319-Y369 HydrophobicContact CB-CE2 4.47Å; N319-Y369 WeakPolarHBondContact CB-O 3.46Å; N319-Y369 VanDerWaalsContact CG-O 3.28Å; N319-Y369 WeakPolarHBondContact ND2-CD2 3.48Å; N319-Y369 WeakPolarHBondContact ND2-CE2 3.42Å; N319-Y369 VanDerWaalsContact ND2-CZ 3.34Å; N319-Y369 PolarHBondContact ND2-O 3.01Å; P320-Y369 HydrophobicContact CG-CE1 4.42Å
370	H	98.6	Very high	97.5	Very high	51 Å²	51	23.7 Å²	23.7	24%	0.236	12%	0.121	C	C	.	.	S	Bend	trans	-83.4	154.1	179.9	-60.7	-69.3	0	0	0	111.5	P320 P321 L372	P320-H370 PolarHBondContact O-ND1 3.08Å; P321-H370 PolarHBondContact O-ND1 2.97Å; H370-L372 HydrophobicContact CB-CB 4.44Å; H370-L372 PolarHBondContact O-N 3.28Å
371	P	98.6	Very high	97.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.			trans	-71.7	39.2	169.3	33.7	-36.5	0	0	0	113.4	L308 I316 L373 Y374 E375	L308-P371 HydrophobicContact CD1-CG 4.28Å; I316-P371 HydrophobicContact CB-CB 4.01Å; I316-P371 HydrophobicContact CD1-CB 3.88Å; I316-P371 HydrophobicContact CD1-CG 4.2Å; I316-P371 HydrophobicContact CG1-CB 4.2Å; P371-L373 PolarHBondContact O-N 3.31Å; P371-L373 VanDerWaalsContact O-N 3.11Å; P371-Y374 HydrophobicContact CB-CD2 3.89Å; P371-Y374 PolarHBondContact O-N 3.16Å; P371-E375 WeakPolarHBondContact O-CG 3.42Å; P371-E375 PolarHBondContact O-N 2.93Å
372	L	98.8	Very high	97.7	Very high	19 Å²	19	17.8 Å²	17.8	10%	0.099	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-31.1	-171.4	-175.1	64.4	0	0	0	113.7	F343 C364 H370 Y374 E375 K376	F343-L372 HydrophobicContact CE2-CD1 3.71Å; F343-L372 HydrophobicContact CZ-CD1 3.77Å; C364-L372 VanDerWaalsContact O-CD2 3.24Å; C364-L372 WeakPolarHBondContact O-CD2 3.35Å; H370-L372 HydrophobicContact CB-CB 4.44Å; H370-L372 PolarHBondContact O-N 3.28Å; L372-Y374 VanDerWaalsContact C-N 3.32Å; L372-Y374 PolarHBondContact O-N 3.39Å; L372-E375 WeakPolarHBondContact CD1-OE2 3.45Å; L372-E375 PolarHBondContact O-N 2.95Å; L372-K376 VanDerWaalsContact O-CG 3.32Å; L372-K376 WeakPolarHBondContact O-CG 3.48Å; L372-K376 PolarHBondContact O-N 3.38Å
373	L	98.8	Very high	98	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-48	173.7	-173.7	76.6	0	0	0	110.9	W96 L105 M366 P371 K376 N377	W96-L373 HydrophobicContact CH2-CD1 3.68Å; W96-L373 HydrophobicContact CZ2-CD1 3.51Å; W96-L373 HydrophobicContact CZ2-CG 4.27Å; L105-L373 HydrophobicContact CD1-CD2 4.41Å; L105-L373 HydrophobicContact CD2-CD1 4.03Å; L105-L373 HydrophobicContact CD2-CD2 4.29Å; L105-L373 HydrophobicContact CG-CD2 4.23Å; M366-L373 HydrophobicContact CE-CD1 3.79Å; P371-L373 PolarHBondContact O-N 3.31Å; P371-L373 VanDerWaalsContact O-N 3.11Å; L373-K376 PolarHBondContact O-N 2.96Å; L373-N377 PolarHBondContact O-N 3.34Å; L373-N377 VanDerWaalsContact O-N 3.11Å; L373-N377 PolarHBondContact O-OD1 3.48Å
374	Y	98.8	Very high	98.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-77.5	-31.5	-176.2	-48.5	-75	0	0	0	111.6	S312 E314 I316 P371 L372 K376 N377 L378	S312-Y374 WeakPolarHBondContact OG-CB 3.34Å; S312-Y374 WeakPolarHBondContact OG-CD1 3.44Å; E314-Y374 HydrophobicContact CG-CE1 4.19Å; E314-Y374 WeakPolarHBondContact CG-OH 3.29Å; E314-Y374 PolarHBondContact OE1-OH 2.87Å; E314-Y374 VanDerWaalsContact OE1-OH 3.11Å; I316-Y374 HydrophobicContact CB-CD2 3.73Å; I316-Y374 HydrophobicContact CB-CE2 3.77Å; I316-Y374 HydrophobicContact CB-CG 4.44Å; I316-Y374 HydrophobicContact CG2-CD1 4.02Å; I316-Y374 HydrophobicContact CG2-CD2 3.37Å; I316-Y374 HydrophobicContact CG2-CE1 4.16Å; I316-Y374 HydrophobicContact CG2-CE2 3.52Å; I316-Y374 HydrophobicContact CG2-CG 3.62Å; P371-Y374 HydrophobicContact CB-CD2 3.89Å; P371-Y374 PolarHBondContact O-N 3.16Å; L372-Y374 VanDerWaalsContact C-N 3.32Å; L372-Y374 PolarHBondContact O-N 3.39Å; Y374-K376 VanDerWaalsContact C-N 3.3Å; Y374-K376 PolarHBondContact O-N 3.43Å; Y374-N377 WeakPolarHBondContact O-CB 3.48Å; Y374-N377 PolarHBondContact O-N 3Å; Y374-L378 PolarHBondContact O-N 3.4Å
375	E	98.9	Very high	98.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-42	168.6	-62.7	166.4	-151	0	0	111.3	L308 P321 S322 M325 F343 P371 L372 L378 V379	L308-E375 HydrophobicContact CD1-CG 3.79Å; L308-E375 HydrophobicContact CD2-CG 4.38Å; P321-E375 VanDerWaalsContact CA-OE1 3.28Å; P321-E375 WeakPolarHBondContact CA-OE1 3.47Å; S322-E375 WeakPolarHBondContact CB-OE2 3.41Å; S322-E375 PolarHBondContact N-OE1 2.8Å; S322-E375 PolarHBondContact N-OE2 2.94Å; S322-E375 PolarHBondContact OG-OE2 3.32Å; M325-E375 HydrophobicContact CB-CB 4.16Å; M325-E375 HydrophobicContact CB-CG 3.85Å; M325-E375 VanDerWaalsContact CB-OE2 3.28Å; M325-E375 WeakPolarHBondContact CB-OE2 3.28Å; M325-E375 HydrophobicContact CG-CB 4.11Å; M325-E375 HydrophobicContact CG-CG 3.89Å; M325-E375 HydrophobicContact SD-CB 3.95Å; M325-E375 HydrophobicContact SD-CG 4.38Å; F343-E375 HydrophobicContact CE1-CB 4.38Å; F343-E375 HydrophobicContact CZ-CB 3.88Å; P371-E375 WeakPolarHBondContact O-CG 3.42Å; P371-E375 PolarHBondContact O-N 2.93Å; L372-E375 WeakPolarHBondContact CD1-OE2 3.45Å; L372-E375 PolarHBondContact O-N 2.95Å; E375-L378 WeakPolarHBondContact O-CB 3.5Å; E375-L378 PolarHBondContact O-N 2.94Å; E375-V379 WeakPolarHBondContact O-CG2 3.47Å; E375-V379 PolarHBondContact O-N 2.98Å
376	K	98.9	Very high	98.4	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-69.7	-33.9	176.4	-70.6	178.4	-176.5	-153	0	112.7	W96 F343 L344 T365 L372 L373 Y374 L378 V379 K380	W96-K376 HydrophobicContact CD2-CB 3.89Å; W96-K376 HydrophobicContact CD2-CD 4.26Å; W96-K376 HydrophobicContact CE3-CB 4.47Å; W96-K376 HydrophobicContact CE3-CD 4Å; W96-K376 HydrophobicContact CG-CB 4.39Å; W96-K376 HydrophobicContact CH2-CB 4.06Å; W96-K376 HydrophobicContact CH2-CD 3.44Å; W96-K376 VanDerWaalsContact CH2-CD 3.44Å; W96-K376 HydrophobicContact CH2-CG 4.38Å; W96-K376 HydrophobicContact CZ2-CB 3.43Å; W96-K376 VanDerWaalsContact CZ2-CB 3.43Å; W96-K376 HydrophobicContact CZ2-CD 3.76Å; W96-K376 HydrophobicContact CZ2-CG 4.21Å; W96-K376 HydrophobicContact CZ3-CD 3.58Å; F343-K376 HydrophobicContact CD1-CG 3.9Å; F343-K376 HydrophobicContact CE1-CB 4.3Å; F343-K376 HydrophobicContact CE1-CG 3.51Å; F343-K376 HydrophobicContact CZ-CG 4.06Å; F343-K376 WeakPolarHBondContact O-CE 3.21Å; F343-K376 PolarHBondContact O-NZ 3.34Å; L344-K376 HydrophobicContact CD2-CB 3.74Å; L344-K376 HydrophobicContact CD2-CG 4.02Å; L344-K376 WeakPolarHBondContact CD2-O 3.29Å; T365-K376 VanDerWaalsContact O-CE 3.24Å; T365-K376 WeakPolarHBondContact O-CE 3.3Å; T365-K376 PolarHBondContact O-NZ 2.92Å; L372-K376 VanDerWaalsContact O-CG 3.32Å; L372-K376 WeakPolarHBondContact O-CG 3.48Å; L372-K376 PolarHBondContact O-N 3.38Å; L373-K376 PolarHBondContact O-N 2.96Å; Y374-K376 VanDerWaalsContact C-N 3.3Å; Y374-K376 PolarHBondContact O-N 3.43Å; K376-L378 VanDerWaalsContact C-N 3.33Å; K376-V379 PolarHBondContact O-N 3.2Å; K376-K380 VanDerWaalsContact O-CB 3.24Å; K376-K380 WeakPolarHBondContact O-CB 3.44Å; K376-K380 PolarHBondContact O-N 3.46Å
377	N	98.9	Very high	98.4	Very high	15 Å²	15	27 Å²	27	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-46.8	170.3	-68.4	-6.7	0	0	0	111	W96 N97 K98 S100 L373 Y374 K380 H381	W96-N377 PolarHBondContact NE1-OD1 3.3Å; N97-N377 PolarHBondContact O-OD1 3.04Å; N97-N377 VanDerWaalsContact O-OD1 3.14Å; K98-N377 WeakPolarHBondContact O-CB 3.25Å; K98-N377 PolarHBondContact O-ND2 3.41Å; K98-N377 PolarHBondContact O-OD1 3Å; S100-N377 WeakPolarHBondContact CB-OD1 3.48Å; S100-N377 PolarHBondContact O-ND2 3.01Å; L373-N377 PolarHBondContact O-N 3.34Å; L373-N377 VanDerWaalsContact O-N 3.11Å; L373-N377 PolarHBondContact O-OD1 3.48Å; Y374-N377 WeakPolarHBondContact O-CB 3.48Å; Y374-N377 PolarHBondContact O-N 3Å; N377-K380 PolarHBondContact O-N 2.94Å; N377-H381 VanDerWaalsContact O-CB 3.31Å; N377-H381 WeakPolarHBondContact O-CB 3.34Å; N377-H381 PolarHBondContact O-N 2.9Å
378	L	98.9	Very high	98.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-52.5	176	175.6	65.8	0	0	0	111.4	L140 L144 L308 I311 M325 Y374 E375 K376 K380 H381 L382	L140-L378 HydrophobicContact CD2-CD1 3.35Å; L140-L378 HydrophobicContact CG-CD1 4Å; L144-L378 HydrophobicContact CD1-CD1 4.35Å; L308-L378 HydrophobicContact CD2-CB 4.14Å; L308-L378 HydrophobicContact CD2-CD2 3.75Å; I311-L378 HydrophobicContact CD1-CB 4.12Å; I311-L378 HydrophobicContact CD1-CD1 3.72Å; I311-L378 HydrophobicContact CD1-CG 4.4Å; M325-L378 HydrophobicContact CE-CD2 3.68Å; M325-L378 HydrophobicContact SD-CD2 4.17Å; Y374-L378 PolarHBondContact O-N 3.4Å; E375-L378 WeakPolarHBondContact O-CB 3.5Å; E375-L378 PolarHBondContact O-N 2.94Å; K376-L378 VanDerWaalsContact C-N 3.33Å; L378-K380 VanDerWaalsContact C-N 3.31Å; L378-K380 PolarHBondContact O-N 3.41Å; L378-H381 WeakPolarHBondContact O-CB 3.3Å; L378-H381 PolarHBondContact O-N 3.13Å; L378-H381 VanDerWaalsContact O-N 3.14Å; L378-L382 HydrophobicContact CD1-CD1 3.77Å; L378-L382 HydrophobicContact CD1-CG 4.08Å; L378-L382 HydrophobicContact CG-CD1 4.08Å; L378-L382 WeakPolarHBondContact O-CG 3.47Å; L378-L382 PolarHBondContact O-N 3.33Å
379	V	98.9	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-40.6	179.9	174.6	0	0	0	0	111.3	M325 I328 I340 F343 L344 E375 K376 H381 L382 N383 A396 L398	M325-V379 HydrophobicContact CE-CG2 4.26Å; M325-V379 HydrophobicContact SD-CG2 3.86Å; I328-V379 HydrophobicContact CD1-CG2 3.85Å; I340-V379 HydrophobicContact CD1-CG1 4.06Å; F343-V379 HydrophobicContact CD1-CB 4.13Å; F343-V379 HydrophobicContact CD1-CG1 4.21Å; F343-V379 HydrophobicContact CD1-CG2 3.88Å; F343-V379 HydrophobicContact CE1-CB 4.1Å; F343-V379 HydrophobicContact CE1-CG2 3.57Å; L344-V379 HydrophobicContact CD1-CG1 4.13Å; L344-V379 HydrophobicContact CD2-CB 4.32Å; L344-V379 HydrophobicContact CD2-CG1 4.32Å; L344-V379 HydrophobicContact CG-CG1 4.03Å; E375-V379 WeakPolarHBondContact O-CG2 3.47Å; E375-V379 PolarHBondContact O-N 2.98Å; K376-V379 PolarHBondContact O-N 3.2Å; V379-H381 VanDerWaalsContact C-N 3.35Å; V379-H381 PolarHBondContact O-N 3.05Å; V379-L382 PolarHBondContact O-N 3.26Å; V379-N383 PolarHBondContact O-N 3.02Å; V379-A396 HydrophobicContact CG1-CB 3.95Å; V379-L398 HydrophobicContact CG1-CD1 4.16Å
380	K	98.8	Very high	98.6	Very high	29 Å²	29	30.1 Å²	30.1	13%	0.126	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-39	176.1	-179.6	60.8	-177.8	159.8	0	112.2	W96 K98 L344 K376 N377 L378 L382 D387 I390	W96-K380 HydrophobicContact CB-CD 4.45Å; W96-K380 HydrophobicContact CB-CG 4.43Å; W96-K380 WeakPolarHBondContact O-CE 3.43Å; W96-K380 WeakPolarHBondContact O-CG 3.3Å; K98-K380 HydrophobicContact CB-CB 4.29Å; K98-K380 HydrophobicContact CB-CG 3.89Å; L344-K380 HydrophobicContact CD1-CB 3.9Å; L344-K380 HydrophobicContact CD1-CD 3.95Å; L344-K380 HydrophobicContact CD2-CB 4.36Å; K376-K380 VanDerWaalsContact O-CB 3.24Å; K376-K380 WeakPolarHBondContact O-CB 3.44Å; K376-K380 PolarHBondContact O-N 3.46Å; N377-K380 PolarHBondContact O-N 2.94Å; L378-K380 VanDerWaalsContact C-N 3.31Å; L378-K380 PolarHBondContact O-N 3.41Å; K380-L382 VanDerWaalsContact C-N 3.34Å; K380-D387 IonicContact NZ-OD1 3.99Å; K380-D387 PolarHBondContact NZ-OD1 2.84Å; K380-D387 IonicContact NZ-OD2 3.83Å; K380-I390 HydrophobicContact CD-CD1 3.77Å
381	H	98.7	Very high	98.6	Very high	61 Å²	61	31.5 Å²	31.5	28%	0.282	16%	0.16	S	C	.	.	H	α-helix	trans	-66.4	-35.8	176.8	178	85.8	0	0	0	112.2	F135 A137 N377 L378 V379	F135-H381 PolarHBondContact O-CE1 3.26Å; F135-H381 VanDerWaalsContact O-CE1 3.26Å; F135-H381 PolarHBondContact O-NE2 3.26Å; A137-H381 PolarHBondContact N-NE2 3.38Å; N377-H381 VanDerWaalsContact O-CB 3.31Å; N377-H381 WeakPolarHBondContact O-CB 3.34Å; N377-H381 PolarHBondContact O-N 2.9Å; L378-H381 WeakPolarHBondContact O-CB 3.3Å; L378-H381 PolarHBondContact O-N 3.13Å; L378-H381 VanDerWaalsContact O-N 3.14Å; V379-H381 VanDerWaalsContact C-N 3.35Å; V379-H381 PolarHBondContact O-N 3.05Å
382	L	98.8	Very high	98.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-87.2	-12.4	-178.4	-65.6	-176	0	0	0	114.7	A137 L140 R141 L144 L378 V379 K380 Q384 L398	A137-L382 HydrophobicContact CB-CD2 4.18Å; A137-L382 WeakPolarHBondContact O-CD2 3.46Å; L140-L382 HydrophobicContact CB-CD2 4.12Å; L140-L382 HydrophobicContact CD2-CD2 4.16Å; L140-L382 HydrophobicContact CG-CD2 4.26Å; R141-L382 HydrophobicContact CG-CD2 3.83Å; R141-L382 PolarHBondContact NH2-O 2.96Å; L144-L382 HydrophobicContact CD1-CD1 3.63Å; L378-L382 HydrophobicContact CD1-CD1 3.77Å; L378-L382 HydrophobicContact CD1-CG 4.08Å; L378-L382 HydrophobicContact CG-CD1 4.08Å; L378-L382 WeakPolarHBondContact O-CG 3.47Å; L378-L382 PolarHBondContact O-N 3.33Å; V379-L382 PolarHBondContact O-N 3.26Å; K380-L382 VanDerWaalsContact C-N 3.34Å; L382-Q384 PolarHBondContact O-N 3.48Å; L382-L398 HydrophobicContact CB-CD1 4.25Å; L382-L398 HydrophobicContact CB-CD2 3.87Å; L382-L398 HydrophobicContact CB-CG 3.89Å; L382-L398 HydrophobicContact CD1-CD2 4.11Å
383	N	98.8	Very high	98.6	Very high	24 Å²	24	36.9 Å²	36.9	13%	0.128	19%	0.188	C	C	.	.			trans	-57.5	131.2	-177.7	-175.2	46.4	0	0	0	112.4	V379 G385 A396 T397	V379-N383 PolarHBondContact O-N 3.02Å; N383-G385 PolarHBondContact ND2-O 3.08Å; N383-G385 PolarHBondContact OD1-N 3.15Å; N383-G385 VanDerWaalsContact OD1-N 3.14Å; N383-A396 HydrophobicContact CB-CB 4.49Å; N383-A396 VanDerWaalsContact OD1-CA 3.23Å; N383-A396 WeakPolarHBondContact OD1-CA 3.48Å; N383-A396 WeakPolarHBondContact OD1-CB 3.4Å; N383-T397 PolarHBondContact OD1-N 2.92Å; N383-T397 PolarHBondContact OD1-O 2.83Å
384	Q	98.6	Very high	98.6	Very high	117 Å²	117	36.7 Å²	36.7	55%	0.547	19%	0.187	S	C	.	.			trans	-101.5	-11.8	171	-66.5	-177.3	-49.5	0	0	112.9	L382 T397	L382-Q384 PolarHBondContact O-N 3.48Å; Q384-T397 PolarHBondContact N-O 3.07Å
385	G	98.1	Very high	98.6	Very high	21 Å²	21	37.9 Å²	37.9	22%	0.216	19%	0.192	C	C	.	.	S	Bend	trans	-74.7	174.1	173.2	0	0	0	0	0	113	N383	N383-G385 PolarHBondContact ND2-O 3.08Å; N383-G385 PolarHBondContact OD1-N 3.15Å; N383-G385 VanDerWaalsContact OD1-N 3.14Å
386	T	98.2	Very high	98.6	Very high	67 Å²	67	37.9 Å²	37.9	41%	0.411	19%	0.192	S	C	.	.			trans	-83.2	165.8	-178.9	64.9	0	0	0	0	112.5	E388 D389 I390	T386-E388 VanDerWaalsContact C-N 3.26Å; T386-E388 WeakPolarHBondContact CB-OE2 3.19Å; T386-D389 PolarHBondContact N-OD2 3.28Å; T386-D389 PolarHBondContact O-N 3.31Å; T386-D389 PolarHBondContact OG1-N 2.89Å; T386-D389 VanDerWaalsContact OG1-N 3.11Å; T386-D389 PolarHBondContact OG1-OD2 2.62Å; T386-I390 PolarHBondContact O-N 2.96Å
387	D	98.3	Very high	98.6	Very high	71 Å²	71	38.4 Å²	38.4	38%	0.38	20%	0.196	S	C	.	.	H	α-helix	trans	-67.9	-33.6	171.4	-74.6	-0.5	0	0	0	109.9	F93 V95 K380 D389 I390 Y391	F93-D387 HydrophobicContact CE2-CB 3.58Å; F93-D387 WeakPolarHBondContact CE2-O 3.2Å; F93-D387 HydrophobicContact CZ-CB 3.9Å; V95-D387 HydrophobicContact CG1-CB 4.04Å; V95-D387 VanDerWaalsContact CG1-O 3.28Å; V95-D387 WeakPolarHBondContact CG1-O 3.4Å; V95-D387 HydrophobicContact CG2-CB 4.08Å; K380-D387 IonicContact NZ-OD1 3.99Å; K380-D387 PolarHBondContact NZ-OD1 2.84Å; K380-D387 IonicContact NZ-OD2 3.83Å; D387-D389 VanDerWaalsContact C-N 3.31Å; D387-D389 PolarHBondContact O-N 3.45Å; D387-I390 PolarHBondContact O-N 2.79Å; D387-Y391 PolarHBondContact O-N 2.85Å
388	E	98.2	Very high	98.6	Very high	90 Å²	90	37.7 Å²	37.7	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-58.3	-41.8	174.8	-70	75.3	-171.1	0	0	111.7	F93 T386 I390 Y391 L392	F93-E388 HydrophobicContact CE1-CG 3.75Å; F93-E388 WeakPolarHBondContact CE1-OE1 3.38Å; F93-E388 HydrophobicContact CZ-CB 4.16Å; F93-E388 HydrophobicContact CZ-CG 3.51Å; F93-E388 WeakPolarHBondContact CZ-OE1 3.23Å; T386-E388 VanDerWaalsContact C-N 3.26Å; T386-E388 WeakPolarHBondContact CB-OE2 3.19Å; E388-I390 VanDerWaalsContact C-N 3.34Å; E388-I390 PolarHBondContact O-N 3.46Å; E388-Y391 PolarHBondContact O-N 2.81Å; E388-L392 WeakPolarHBondContact O-CB 3.21Å; E388-L392 WeakPolarHBondContact O-CG 3.33Å; E388-L392 PolarHBondContact O-N 3.39Å
389	D	98.6	Very high	98.6	Very high	52 Å²	52	38.1 Å²	38.1	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-41.9	177	-63.5	-40.3	0	0	0	111.3	T386 D387 L393 G394 K395	T386-D389 PolarHBondContact N-OD2 3.28Å; T386-D389 PolarHBondContact O-N 3.31Å; T386-D389 PolarHBondContact OG1-N 2.89Å; T386-D389 VanDerWaalsContact OG1-N 3.11Å; T386-D389 PolarHBondContact OG1-OD2 2.62Å; D387-D389 VanDerWaalsContact C-N 3.31Å; D387-D389 PolarHBondContact O-N 3.45Å; D389-L393 CarbonylContact O-C 3.59Å; D389-L393 WeakPolarHBondContact O-CA 3.48Å; D389-L393 VanDerWaalsContact O-CB 3.26Å; D389-L393 WeakPolarHBondContact O-CB 3.25Å; D389-L393 PolarHBondContact O-N 2.88Å; D389-G394 PolarHBondContact O-N 2.68Å; D389-G394 VanDerWaalsContact O-N 3.11Å; D389-K395 PolarHBondContact O-N 2.84Å
390	I	98.7	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-49.2	174.5	-63	166.8	0	0	0	109.5	V95 L344 S346 K380 T386 D387 E388 L392 G394 K395	V95-I390 HydrophobicContact CB-CB 4.38Å; V95-I390 HydrophobicContact CB-CG2 4.02Å; V95-I390 HydrophobicContact CG1-CB 3.98Å; V95-I390 HydrophobicContact CG1-CG2 3.98Å; L344-I390 HydrophobicContact CB-CG2 4.03Å; L344-I390 HydrophobicContact CD1-CD1 3.83Å; L344-I390 HydrophobicContact CD1-CG1 4.34Å; S346-I390 VanDerWaalsContact CA-O 3.25Å; S346-I390 WeakPolarHBondContact CA-O 3.29Å; S346-I390 WeakPolarHBondContact CB-O 3.37Å; K380-I390 HydrophobicContact CD-CD1 3.77Å; T386-I390 PolarHBondContact O-N 2.96Å; D387-I390 PolarHBondContact O-N 2.79Å; E388-I390 VanDerWaalsContact C-N 3.34Å; E388-I390 PolarHBondContact O-N 3.46Å; I390-L392 PolarHBondContact O-N 3.02Å; I390-G394 WeakPolarHBondContact O-CA 3.38Å; I390-G394 PolarHBondContact O-N 3.11Å; I390-K395 VanDerWaalsContact CG1-O 3.3Å; I390-K395 WeakPolarHBondContact CG1-O 3.38Å
391	Y	98.6	Very high	98.6	Very high	81 Å²	81	37.7 Å²	37.7	32%	0.318	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-43.1	-175.5	-178.9	-103.1	0	0	0	113	F93 S346 K347 D387 E388	F93-Y391 HydrophobicContact CB-CD1 4.08Å; F93-Y391 HydrophobicContact CB-CD2 3.75Å; F93-Y391 HydrophobicContact CB-CE1 4.15Å; F93-Y391 HydrophobicContact CB-CE2 3.81Å; F93-Y391 HydrophobicContact CB-CG 3.89Å; F93-Y391 VanDerWaalsContact CD2-CB 3.42Å; F93-Y391 HydrophobicContact CD2-CD1 4.22Å; F93-Y391 AromaticContact CD2-CD2 3.96Å; F93-Y391 HydrophobicContact CD2-CD2 3.96Å; F93-Y391 AromaticContact CD2-CG 3.6Å; F93-Y391 HydrophobicContact CD2-CG 3.6Å; F93-Y391 HydrophobicContact CE2-CG 4.41Å; F93-Y391 HydrophobicContact CG-CD1 4.1Å; F93-Y391 HydrophobicContact CG-CD2 4.19Å; F93-Y391 AromaticContact CG-CG 3.88Å; F93-Y391 HydrophobicContact CG-CG 3.88Å; S346-Y391 WeakPolarHBondContact CB-O 3.44Å; K347-Y391 HydrophobicContact CB-CD2 4.02Å; K347-Y391 HydrophobicContact CB-CE1 4.14Å; K347-Y391 HydrophobicContact CB-CE2 3.6Å; K347-Y391 HydrophobicContact CB-CG 4.46Å; K347-Y391 WeakPolarHBondContact CB-O 3.35Å; K347-Y391 HydrophobicContact CD-CD1 4.35Å; K347-Y391 HydrophobicContact CD-CE1 3.84Å; K347-Y391 WeakPolarHBondContact CG-O 3.25Å; K347-Y391 PolarHBondContact N-O 3.42Å; D387-Y391 PolarHBondContact O-N 2.85Å; E388-Y391 PolarHBondContact O-N 2.81Å
392	L	98.4	Very high	98.6	Very high	79 Å²	79	42.1 Å²	42.1	41%	0.414	21%	0.207	S	C	.	.	H	α-helix	trans	-87.3	-43.3	-175.5	-66	176.8	0	0	0	112.9	K347 R348 E388 I390	K347-L392 HydrophobicContact CD-CD2 4.26Å; R348-L392 PolarHBondContact NH1-O 3.37Å; R348-L392 PolarHBondContact NH2-O 3.24Å; E388-L392 WeakPolarHBondContact O-CB 3.21Å; E388-L392 WeakPolarHBondContact O-CG 3.33Å; E388-L392 PolarHBondContact O-N 3.39Å; I390-L392 PolarHBondContact O-N 3.02Å
393	L	98.7	Very high	98.5	Very high	52 Å²	52	44.9 Å²	44.9	27%	0.272	23%	0.225	S	C	.	.	H	α-helix	trans	-107.2	-17.1	-170.8	-53	174.6	0	0	0	112.3	L198 R348 D389 K395	L198-L393 WeakPolarHBondContact CD1-O 3.39Å; L198-L393 HydrophobicContact CD2-CB 4.19Å; L198-L393 HydrophobicContact CD2-CD2 4.1Å; R348-L393 PolarHBondContact NH2-O 3.5Å; D389-L393 CarbonylContact O-C 3.59Å; D389-L393 WeakPolarHBondContact O-CA 3.48Å; D389-L393 VanDerWaalsContact O-CB 3.26Å; D389-L393 WeakPolarHBondContact O-CB 3.25Å; D389-L393 PolarHBondContact O-N 2.88Å; L393-K395 HydrophobicContact CB-CB 3.81Å; L393-K395 HydrophobicContact CD1-CD 4.36Å; L393-K395 PolarHBondContact O-N 3.36Å
394	G	98.8	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.			trans	66.7	27	-170.3	0	0	0	0	0	111	Y341 E342 D389 I390	Y341-G394 CarbonylContact C-O 3.53Å; Y341-G394 WeakPolarHBondContact CA-O 3.29Å; E342-G394 PolarHBondContact N-O 3.13Å; D389-G394 PolarHBondContact O-N 2.68Å; D389-G394 VanDerWaalsContact O-N 3.11Å; I390-G394 WeakPolarHBondContact O-CA 3.38Å; I390-G394 PolarHBondContact O-N 3.11Å
395	K	98.9	Very high	98	Very high	26 Å²	26	47.8 Å²	47.8	11%	0.113	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.7	-172.2	177.2	176.7	179.2	151.9	0	110.3	E201 D339 I340 Y341 D389 I390 L393	E201-K395 WeakPolarHBondContact OE1-CD 3.5Å; E201-K395 IonicContact OE1-NZ 3.58Å; E201-K395 PolarHBondContact OE1-NZ 3.2Å; D339-K395 WeakPolarHBondContact OD2-CE 3.47Å; D339-K395 IonicContact OD2-NZ 2.68Å; D339-K395 PolarHBondContact OD2-NZ 2.59Å; I340-K395 WeakPolarHBondContact O-CA 3.44Å; Y341-K395 HydrophobicContact CD1-CB 4.28Å; Y341-K395 HydrophobicContact CE1-CB 4.16Å; Y341-K395 HydrophobicContact CE1-CD 3.91Å; Y341-K395 HydrophobicContact CE1-CG 4.04Å; Y341-K395 PolarHBondContact OH-NZ 2.91Å; Y341-K395 VanDerWaalsContact OH-NZ 3.17Å; D389-K395 PolarHBondContact O-N 2.84Å; I390-K395 VanDerWaalsContact CG1-O 3.3Å; I390-K395 WeakPolarHBondContact CG1-O 3.38Å; L393-K395 HydrophobicContact CB-CB 3.81Å; L393-K395 HydrophobicContact CD1-CD 4.36Å; L393-K395 PolarHBondContact O-N 3.36Å
396	A	98.9	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.7	163.4	0	0	0	0	0	109.3	D339 I340 L344 V379 N383	D339-A396 CarbonylContact C-O 3.57Å; D339-A396 WeakPolarHBondContact CA-O 3.31Å; I340-A396 PolarHBondContact N-O 2.95Å; I340-A396 PolarHBondContact O-N 3.08Å; L344-A396 HydrophobicContact CD1-CB 4.01Å; L344-A396 HydrophobicContact CG-CB 4.42Å; V379-A396 HydrophobicContact CG1-CB 3.95Å; N383-A396 HydrophobicContact CB-CB 4.49Å; N383-A396 VanDerWaalsContact OD1-CA 3.23Å; N383-A396 WeakPolarHBondContact OD1-CA 3.48Å; N383-A396 WeakPolarHBondContact OD1-CB 3.4Å
397	T	98.9	Very high	97.6	Very high	20 Å²	20	51.3 Å²	51.3	12%	0.123	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.2	179.2	-64	0	0	0	0	109.2	Q337 V338 D339 N383 Q384	Q337-T397 HydrophobicContact CG-CG2 3.61Å; V338-T397 WeakPolarHBondContact O-CA 3.23Å; D339-T397 WeakPolarHBondContact OD1-CB 3.08Å; D339-T397 VanDerWaalsContact OD1-CG2 3.32Å; D339-T397 WeakPolarHBondContact OD1-CG2 3.47Å; D339-T397 PolarHBondContact OD1-OG1 3.14Å; N383-T397 PolarHBondContact OD1-N 2.92Å; N383-T397 PolarHBondContact OD1-O 2.83Å; Q384-T397 PolarHBondContact N-O 3.07Å
398	L	98.9	Very high	97.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.3	175.7	-89.8	62.8	0	0	0	109.5	I328 M332 V338 I340 V379 L382	I328-L398 HydrophobicContact CG2-CD2 4.19Å; M332-L398 HydrophobicContact CE-CD2 4.32Å; M332-L398 HydrophobicContact SD-CB 4.42Å; M332-L398 HydrophobicContact SD-CD2 3.81Å; V338-L398 PolarHBondContact N-O 3.24Å; V338-L398 PolarHBondContact O-N 3.44Å; I340-L398 HydrophobicContact CD1-CD1 4.01Å; I340-L398 HydrophobicContact CD1-CD2 4.21Å; I340-L398 HydrophobicContact CD1-CG 4.47Å; V379-L398 HydrophobicContact CG1-CD1 4.16Å; L382-L398 HydrophobicContact CB-CD1 4.25Å; L382-L398 HydrophobicContact CB-CD2 3.87Å; L382-L398 HydrophobicContact CB-CG 3.89Å; L382-L398 HydrophobicContact CD1-CD2 4.11Å
399	P	98.8	Very high	97.5	Very high	10 Å²	10	48.1 Å²	48.1	7%	0.065	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	148.2	172.4	33.3	-33.6	0	0	0	109.9	M332 I404	M332-P399 VanDerWaalsContact CE-O 3.31Å; M332-P399 WeakPolarHBondContact CE-O 3.46Å; P399-I404 HydrophobicContact CB-CG2 4.31Å; P399-I404 HydrophobicContact CG-CG2 4.1Å
400	G	98.6	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.			trans	-73.7	158	172	0	0	0	0	0	112.9	M332 C335 D336 R402 T403	M332-G400 CarbonylContact O-C 3.08Å; M332-G400 WeakPolarHBondContact O-CA 3.13Å; C335-G400 WeakPolarHBondContact O-CA 3.14Å; D336-G400 PolarHBondContact O-N 3.41Å; G400-R402 PolarHBondContact O-N 3.41Å; G400-T403 PolarHBondContact O-N 3.45Å; G400-T403 VanDerWaalsContact O-N 3.12Å; G400-T403 PolarHBondContact O-OG1 3.49Å
401	F	98.4	Very high	97.4	Very high	20 Å²	20	50.8 Å²	50.8	9%	0.088	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.6	-180	-65.6	-43.2	0	0	0	113.4	L144 R145 I329 M332 T403 I404	L144-F401 HydrophobicContact CB-CE1 4.04Å; L144-F401 HydrophobicContact CB-CZ 4.04Å; R145-F401 HydrophobicContact CB-CB 4.45Å; R145-F401 HydrophobicContact CB-CD1 3.6Å; R145-F401 HydrophobicContact CB-CE1 3.91Å; R145-F401 HydrophobicContact CB-CG 4.01Å; R145-F401 HydrophobicContact CG-CB 3.91Å; R145-F401 HydrophobicContact CG-CD1 4.03Å; R145-F401 HydrophobicContact CG-CG 3.94Å; I329-F401 HydrophobicContact CD1-CZ 4.49Å; I329-F401 HydrophobicContact CG2-CE2 4.13Å; I329-F401 HydrophobicContact CG2-CZ 4.35Å; M332-F401 HydrophobicContact CB-CD2 3.99Å; M332-F401 HydrophobicContact CB-CE1 4.48Å; M332-F401 HydrophobicContact CB-CE2 3.84Å; M332-F401 HydrophobicContact CB-CG 4.37Å; M332-F401 HydrophobicContact CB-CZ 4.1Å; M332-F401 HydrophobicContact CE-CD1 4.13Å; M332-F401 HydrophobicContact CE-CE1 3.59Å; M332-F401 HydrophobicContact CE-CZ 3.96Å; M332-F401 PolarHBondContact O-N 2.99Å; M332-F401 HydrophobicContact SD-CZ 4.41Å; F401-T403 VanDerWaalsContact C-N 3.25Å; F401-T403 PolarHBondContact O-N 3.37Å; F401-I404 HydrophobicContact CD1-CD1 3.97Å; F401-I404 WeakPolarHBondContact O-CG1 3.23Å
402	R	97.7	Very high	97.3	Very high	153 Å²	153	48.8 Å²	48.8	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.4	175.1	-170.7	170.5	74.6	155.1	0.7	112.8	D336 G400	D336-R402 IonicContact OD1-CZ 3.68Å; D336-R402 IonicContact OD1-NE 3.95Å; D336-R402 PolarHBondContact OD1-NE 3.01Å; D336-R402 IonicContact OD1-NH2 2.65Å; D336-R402 PolarHBondContact OD1-NH2 3.36Å; D336-R402 IonicContact OD2-CZ 3.94Å; D336-R402 IonicContact OD2-NE 2.86Å; D336-R402 IonicContact OD2-NH2 3.15Å; D336-R402 PolarHBondContact OD2-NH2 3.13Å; G400-R402 PolarHBondContact O-N 3.41Å
403	T	97.6	Very high	97.2	Very high	60 Å²	60	46.6 Å²	46.6	37%	0.368	24%	0.236	S	C	.	.	S	Bend	trans	-105.9	-2.1	-171.3	64.4	0	0	0	0	113.9	D336 G400 F401	D336-T403 HydrophobicContact CB-CG2 3.69Å; D336-T403 WeakPolarHBondContact OD1-CG2 3.23Å; G400-T403 PolarHBondContact O-N 3.45Å; G400-T403 VanDerWaalsContact O-N 3.12Å; G400-T403 PolarHBondContact O-OG1 3.49Å; F401-T403 VanDerWaalsContact C-N 3.25Å; F401-T403 PolarHBondContact O-N 3.37Å
404	I	95.2	Very high	97.1	Very high	24 Å²	24	46.2 Å²	46.2	12%	0.123	23%	0.233	C	C	.	.			trans	-89	151.8	179.3	67.4	170.6	0	0	0	111.8	R141 R145 P399 F401	R141-I404 HydrophobicContact CB-CD1 3.87Å; R141-I404 HydrophobicContact CB-CG2 4.35Å; R145-I404 HydrophobicContact CB-CD1 4.08Å; P399-I404 HydrophobicContact CB-CG2 4.31Å; P399-I404 HydrophobicContact CG-CG2 4.1Å; F401-I404 HydrophobicContact CD1-CD1 3.97Å; F401-I404 WeakPolarHBondContact O-CG1 3.23Å
405	H	91.4	Very high	96.9	Very high	177 Å²	177	50.1 Å²	50.1	82%	0.819	25%	0.252	S	S	*	.			trans	-110.1	127.3	177.2	-65.7	75.2	0	0	0	109.8	C142	C142-H405 PolarHBondContact SG-O 2.88Å
406	C	90.1	Very high	96.8	Very high	111 Å²	111	52.3 Å²	52.3	75%	0.75	27%	0.265	S	S	*	.			trans	-140.8	0	172.9	-35.7	0	0	0	0	104.5	C142 R145	C142-C406 WeakPolarHBondContact CA-SG 3.42Å; C142-C406 HydrophobicContact CB-CB 3.73Å; C142-C406 WeakPolarHBondContact CB-SG 3.4Å; C142-C406 WeakPolarHBondContact SG-CB 3.01Å; C142-C406 CovalentContact SG-SG 2.02Å; C142-C406 PolarHBondContact SG-SG 2.99Å; R145-C406 PolarHBondContact NH1-SG 3.22Å; R145-C406 VanDerWaalsContact NH2-CB 3.28Å; R145-C406 PolarHBondContact NH2-SG 3.14Å

Retrieved 406 of 406 residues in 1457 ms (Link to these results)

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