A0A3Q0KTH1_SCHMA Loading...

Venom allergen-like (VAL) 26 protein; Venom allergen-like (VAL) 28 protein

AlphaFold DB , UniProt , Accession A0A3Q0KTH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	54.3	Low	246 Å²	246	144.8 Å²	144.8	100%	1.212	85%	0.85	S	S	*	*				0	101.4	0	-77.5	169.1	144.2	0	0	106.6
2	S	44.6	Very low	54.6	Low	126 Å²	126	144.3 Å²	144.3	88%	0.881	84%	0.839	S	S	*	*			trans	-108.7	129.1	-169.1	-47.1	0	0	0	0	108.7
3	S	51.8	Low	55.1	Low	119 Å²	119	144.5 Å²	144.5	83%	0.832	83%	0.834	S	S	*	*			trans	-172.8	92	149.3	178.1	0	0	0	0	108.8
4	N	51.7	Low	55.4	Low	166 Å²	166	144 Å²	144	89%	0.888	83%	0.826	S	S	*	*			trans	-76.6	130.2	162.9	-84.8	-26	0	0	0	108.9
5	S	51.4	Low	55.3	Low	111 Å²	111	141.3 Å²	141.3	78%	0.776	82%	0.817	S	S	*	*			trans	-61.6	140	167.9	25.7	0	0	0	0	111.1
6	N	55.7	Low	55.3	Low	164 Å²	164	142.6 Å²	142.6	88%	0.877	82%	0.82	S	S	*	*			trans	-136.1	133.8	164.6	-121.7	-23.7	0	0	0	111.1
7	F	56.9	Low	55.5	Low	196 Å²	196	143 Å²	143	86%	0.86	82%	0.817	S	S	*	*			trans	-60.9	137.5	-169	-97.7	-112.8	0	0	0	113.4
8	S	57.7	Low	55.5	Low	113 Å²	113	140 Å²	140	79%	0.79	81%	0.813	S	S	*	*			trans	-84.5	110.6	166.5	-167	0	0	0	0	109.3	V10	S8-V10 PolarHBondContact O-N 3.44Å
9	S	57.7	Low	55.4	Low	107 Å²	107	137.6 Å²	137.6	75%	0.748	80%	0.803	S	S	*	*			trans	-72.2	117.7	171.5	-59.7	0	0	0	0	110.4	V11	S9-V11 PolarHBondContact O-N 3.46Å
10	V	60.1	Low	55.5	Low	128 Å²	128	135.2 Å²	135.2	78%	0.776	79%	0.794	S	S	*	*			trans	-78.8	112	168.4	176.1	0	0	0	0	107.9	S8 L12	S8-V10 PolarHBondContact O-N 3.44Å; V10-L12 PolarHBondContact O-N 3.33Å
11	V	61.7	Low	55.6	Low	117 Å²	117	132.1 Å²	132.1	71%	0.709	78%	0.779	S	S	*	*			trans	-79.9	107.9	171.4	177.4	0	0	0	0	108	S9 L13	S9-V11 PolarHBondContact O-N 3.46Å; V11-L13 HydrophobicContact CG1-CD2 4.02Å; V11-L13 PolarHBondContact O-N 3.39Å
12	L	58.6	Low	56.4	Low	138 Å²	138	123.3 Å²	123.3	72%	0.723	74%	0.738	S	S	*	*			trans	-78	104.9	174.1	-150.7	83.9	0	0	0	108.8	V10 L14	V10-L12 PolarHBondContact O-N 3.33Å; L12-L14 HydrophobicContact CD2-CD1 4.48Å; L12-L14 PolarHBondContact O-N 3.03Å
13	L	60.9	Low	57.8	Low	147 Å²	147	123.7 Å²	123.7	77%	0.77	73%	0.726	S	S	*	*			trans	-74.7	89.6	173.1	-118.3	-71.7	0	0	0	109	V11 C15	V11-L13 HydrophobicContact CG1-CD2 4.02Å; V11-L13 PolarHBondContact O-N 3.39Å; L13-C15 VanDerWaalsContact C-N 3.34Å; L13-C15 PolarHBondContact O-N 3.05Å
14	L	59.5	Low	59.4	Low	138 Å²	138	120.8 Å²	120.8	72%	0.723	71%	0.709	S	S	*	*			trans	-69.5	93.1	165.8	-102	140.1	0	0	0	108.2	L12 L16	L12-L14 HydrophobicContact CD2-CD1 4.48Å; L12-L14 PolarHBondContact O-N 3.03Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 2.99Å
15	C	53.1	Low	61.2	Low	103 Å²	103	116.8 Å²	116.8	70%	0.696	68%	0.684	S	S	*	*			trans	-67.3	95.6	167.7	-152.1	0	0	0	0	107.6	L13 L17	L13-C15 VanDerWaalsContact C-N 3.34Å; L13-C15 PolarHBondContact O-N 3.05Å; C15-L17 PolarHBondContact O-N 2.83Å
16	L	56.3	Low	63.2	Low	163 Å²	163	112.6 Å²	112.6	85%	0.853	65%	0.653	S	S	*	*			trans	-65.7	80.6	164	-83	158.8	0	0	0	107.5	L14 A18	L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 2.99Å; L16-A18 PolarHBondContact O-N 2.88Å
17	L	58.6	Low	65.2	Low	149 Å²	149	108.9 Å²	108.9	78%	0.78	63%	0.633	S	S	*	*			trans	-61	93.2	155.7	-90.4	150.5	0	0	0	105.8	C15 C19	C15-L17 PolarHBondContact O-N 2.83Å; L17-C19 PolarHBondContact O-N 2.76Å
18	A	55.1	Low	67	Low	89 Å²	89	104.7 Å²	104.7	74%	0.736	62%	0.619	S	S	*	*			trans	-59.9	84.9	155.5	0	0	0	0	0	105.8	L16 C20	L16-A18 PolarHBondContact O-N 2.88Å; A18-C20 VanDerWaalsContact C-N 3.28Å; A18-C20 PolarHBondContact O-N 2.91Å
19	C	53.6	Low	68.9	Low	94 Å²	94	102.5 Å²	102.5	64%	0.635	61%	0.608	S	S	*	*			trans	-58.3	103.6	163.3	-166.7	0	0	0	0	104.2	L17 C21	L17-C19 PolarHBondContact O-N 2.76Å; C19-C21 PolarHBondContact O-N 2.79Å; C19-C21 VanDerWaalsContact SG-SG 3.61Å
20	C	57.2	Low	70.8	Confident	90 Å²	90	98.8 Å²	98.8	61%	0.608	58%	0.579	S	S	*	*			trans	-62.4	80.5	159.4	-71.2	0	0	0	0	105.1	A18 V22	A18-C20 VanDerWaalsContact C-N 3.28Å; A18-C20 PolarHBondContact O-N 2.91Å; C20-V22 PolarHBondContact O-N 2.73Å
21	C	57.9	Low	72.6	Confident	71 Å²	71	95.3 Å²	95.3	48%	0.48	55%	0.552	S	S	.	*			trans	-61.4	97.7	172.8	-68	0	0	0	0	105.2	C19 H23	C19-C21 PolarHBondContact O-N 2.79Å; C19-C21 VanDerWaalsContact SG-SG 3.61Å; C21-H23 VanDerWaalsContact C-N 3.33Å; C21-H23 WeakPolarHBondContact CB-CE1 3.07Å; C21-H23 PolarHBondContact O-N 2.94Å; C21-H23 PolarHBondContact O-ND1 3.26Å
22	V	64.6	Low	74.4	Confident	60 Å²	60	94.4 Å²	94.4	36%	0.364	54%	0.543	S	S	.	.			trans	-65.3	101.6	167.6	176.3	0	0	0	0	104.6	C20 D77 T152	C20-V22 PolarHBondContact O-N 2.73Å; V22-D77 HydrophobicContact CG1-CB 4.29Å; V22-D77 WeakPolarHBondContact CG1-O 3.44Å; V22-T152 HydrophobicContact CB-CG2 4.42Å; V22-T152 HydrophobicContact CG1-CG2 2.98Å
23	H	73.6	Confident	76.3	Confident	134 Å²	134	91.3 Å²	91.3	62%	0.62	53%	0.525	S	S	*	.			trans	-88.6	124.5	-177.7	-73.5	84.8	0	0	0	108.2	C21 K25	C21-H23 VanDerWaalsContact C-N 3.33Å; C21-H23 WeakPolarHBondContact CB-CE1 3.07Å; C21-H23 PolarHBondContact O-N 2.94Å; C21-H23 PolarHBondContact O-ND1 3.26Å; H23-K25 PolarHBondContact O-N 2.92Å
24	A	84.5	Confident	78.1	Confident	58 Å²	58	84.3 Å²	84.3	48%	0.479	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-51.4	123.9	162.8	0	0	0	0	0	108.5	Q73	A24-Q73 HydrophobicContact CB-CG 4.3Å; A24-Q73 VanDerWaalsContact CB-NE2 3.33Å
25	K	90.3	Very high	80	Confident	82 Å²	82	79.4 Å²	79.4	36%	0.357	46%	0.463	S	S	.	.			trans	-94.6	-15.5	-179.1	-165.6	174	-167.4	148.6	0	112.1	H23 D27 M30 V151 D153 L161	H23-K25 PolarHBondContact O-N 2.92Å; K25-D27 PolarHBondContact O-N 3.13Å; K25-M30 HydrophobicContact CD-CE 4.42Å; K25-M30 HydrophobicContact CG-CE 4.09Å; K25-V151 HydrophobicContact CB-CG1 4.25Å; K25-V151 PolarHBondContact N-O 3.06Å; K25-D153 HydrophobicContact CD-CB 4.22Å; K25-D153 IonicContact NZ-OD2 3.59Å; K25-D153 PolarHBondContact NZ-OD2 3.34Å; K25-L161 HydrophobicContact CD-CD1 4.37Å; K25-L161 HydrophobicContact CD-CD2 3.46Å; K25-L161 VanDerWaalsContact CD-CD2 3.46Å
26	L	94.6	Very high	82.2	Confident	23 Å²	23	77.9 Å²	77.9	12%	0.12	45%	0.45	C	S	.	.			trans	-67.7	114.6	-177.7	-174.1	71.2	0	0	0	111.1	M30 R31 L34 W64 E69 C149 V151	L26-M30 HydrophobicContact CD1-CB 4Å; L26-M30 HydrophobicContact CD1-CG 3.86Å; L26-M30 HydrophobicContact CD1-SD 4.11Å; L26-R31 HydrophobicContact CD1-CB 4.38Å; L26-L34 HydrophobicContact CD1-CD1 3.94Å; L26-W64 HydrophobicContact CD2-CZ2 4.3Å; L26-E69 HydrophobicContact CD2-CG 3.96Å; L26-E69 WeakPolarHBondContact CD2-OE1 3.1Å; L26-C149 WeakPolarHBondContact CD2-O 3.46Å; L26-V151 HydrophobicContact CB-CB 4.23Å; L26-V151 HydrophobicContact CD1-CG2 4.1Å; L26-V151 PolarHBondContact N-O 2.75Å
27	D	95.8	Very high	84.2	Confident	87 Å²	87	71.4 Å²	71.4	47%	0.465	42%	0.416	S	S	.	.			trans	-111.6	178	169.2	66.3	20.3	0	0	0	111.2	K25 A29 M30 R31	K25-D27 PolarHBondContact O-N 3.13Å; D27-A29 VanDerWaalsContact C-N 3.26Å; D27-A29 PolarHBondContact O-N 3.16Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.08Å; D27-A29 VanDerWaalsContact OD1-N 3.11Å; D27-M30 PolarHBondContact O-N 3.08Å; D27-M30 VanDerWaalsContact OD1-CB 3.3Å; D27-M30 WeakPolarHBondContact OD1-CB 3.49Å; D27-M30 PolarHBondContact OD1-N 3.47Å; D27-R31 WeakPolarHBondContact O-CB 3.19Å; D27-R31 PolarHBondContact O-N 3.12Å
28	D	96.4	Very high	86.1	Confident	107 Å²	107	64.3 Å²	64.3	57%	0.572	38%	0.379	S	S	*	.	H	α-helix	trans	-61.9	-32.8	-178.6	-68.5	-10.3	0	0	0	112.8	R31 N32	D28-R31 IonicContact OD1-CZ 2.8Å; D28-R31 IonicContact OD1-NH1 3.6Å; D28-R31 PolarHBondContact OD1-NH1 2.79Å; D28-N32 WeakPolarHBondContact O-CB 3.48Å; D28-N32 VanDerWaalsContact O-CG 3.22Å; D28-N32 PolarHBondContact O-N 3.08Å; D28-N32 PolarHBondContact O-ND2 3.02Å
29	A	97.4	Very high	88.2	Confident	67 Å²	67	61.9 Å²	61.9	55%	0.554	35%	0.354	S	S	*	.	H	α-helix	trans	-69.4	-46.1	178.4	0	0	0	0	0	110.6	D27 N32 E33	D27-A29 VanDerWaalsContact C-N 3.26Å; D27-A29 PolarHBondContact O-N 3.16Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.08Å; D27-A29 VanDerWaalsContact OD1-N 3.11Å; A29-N32 PolarHBondContact O-N 2.92Å; A29-E33 WeakPolarHBondContact O-CB 3.22Å; A29-E33 PolarHBondContact O-N 3.44Å
30	M	97.7	Very high	90.3	Very high	29 Å²	29	63 Å²	63	14%	0.143	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-38.2	176.9	-169.5	178.6	-67.3	0	0	111.7	K25 L26 D27 E33 L34 I107 V151	K25-M30 HydrophobicContact CD-CE 4.42Å; K25-M30 HydrophobicContact CG-CE 4.09Å; L26-M30 HydrophobicContact CD1-CB 4Å; L26-M30 HydrophobicContact CD1-CG 3.86Å; L26-M30 HydrophobicContact CD1-SD 4.11Å; D27-M30 PolarHBondContact O-N 3.08Å; D27-M30 VanDerWaalsContact OD1-CB 3.3Å; D27-M30 WeakPolarHBondContact OD1-CB 3.49Å; D27-M30 PolarHBondContact OD1-N 3.47Å; M30-E33 PolarHBondContact O-N 3.25Å; M30-L34 HydrophobicContact CG-CD1 4.4Å; M30-L34 WeakPolarHBondContact O-CG 3.37Å; M30-L34 PolarHBondContact O-N 2.97Å; M30-I107 HydrophobicContact CE-CG2 4.43Å; M30-I107 HydrophobicContact CG-CD1 3.62Å; M30-I107 HydrophobicContact CG-CG1 4.32Å; M30-I107 HydrophobicContact CG-CG2 3.98Å; M30-I107 HydrophobicContact SD-CG2 3.72Å; M30-V151 HydrophobicContact SD-CB 3.81Å; M30-V151 HydrophobicContact SD-CG1 3.79Å; M30-V151 HydrophobicContact SD-CG2 3.83Å
31	R	98.4	Very high	92.3	Very high	56 Å²	56	58.9 Å²	58.9	21%	0.211	32%	0.322	C	S	.	.	H	α-helix	trans	-57.2	-50.1	171.8	-177.2	179.9	-60.8	116.3	6.2	111.3	L26 D27 D28 E33 L34 L35 W64 E69	L26-R31 HydrophobicContact CD1-CB 4.38Å; D27-R31 WeakPolarHBondContact O-CB 3.19Å; D27-R31 PolarHBondContact O-N 3.12Å; D28-R31 IonicContact OD1-CZ 2.8Å; D28-R31 IonicContact OD1-NH1 3.6Å; D28-R31 PolarHBondContact OD1-NH1 2.79Å; R31-E33 VanDerWaalsContact C-N 3.34Å; R31-E33 PolarHBondContact O-N 2.62Å; R31-L34 PolarHBondContact O-N 3.35Å; R31-L35 PolarHBondContact O-N 3.37Å; R31-W64 HydrophobicContact CB-CH2 4.47Å; R31-W64 HydrophobicContact CB-CZ2 4.46Å; R31-W64 HydrophobicContact CG-CD2 3.63Å; R31-W64 VanDerWaalsContact CG-CE2 3.44Å; R31-W64 HydrophobicContact CG-CE3 3.92Å; R31-W64 HydrophobicContact CG-CG 4.2Å; R31-W64 HydrophobicContact CG-CH2 3.79Å; R31-W64 HydrophobicContact CG-CZ2 3.55Å; R31-W64 HydrophobicContact CG-CZ3 3.99Å; R31-E69 IonicContact CZ-OE1 2.85Å; R31-E69 IonicContact CZ-OE2 2.74Å; R31-E69 IonicContact NE-OE1 3.72Å; R31-E69 IonicContact NE-OE2 2.99Å; R31-E69 PolarHBondContact NE-OE2 3.34Å; R31-E69 IonicContact NH2-OE1 2.74Å; R31-E69 PolarHBondContact NH2-OE1 3.16Å; R31-E69 IonicContact NH2-OE2 3.64Å; R31-E69 PolarHBondContact NH2-OE2 2.89Å
32	N	98.4	Very high	94.2	Very high	98 Å²	98	55.7 Å²	55.7	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-36.4	178.8	-72.6	-32.7	0	0	0	112.3	D28 A29 T36	D28-N32 WeakPolarHBondContact O-CB 3.48Å; D28-N32 VanDerWaalsContact O-CG 3.22Å; D28-N32 PolarHBondContact O-N 3.08Å; D28-N32 PolarHBondContact O-ND2 3.02Å; A29-N32 PolarHBondContact O-N 2.92Å; N32-T36 VanDerWaalsContact O-CB 3.31Å; N32-T36 WeakPolarHBondContact O-CB 3.35Å; N32-T36 PolarHBondContact O-N 3.16Å; N32-T36 PolarHBondContact O-OG1 2.71Å
33	E	98.6	Very high	95.9	Very high	72 Å²	72	56.6 Å²	56.6	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-45.2	176.7	-173.2	159.6	-122.9	0	0	111.4	A29 M30 R31 L35 T36 L37 I107 K108	A29-E33 WeakPolarHBondContact O-CB 3.22Å; A29-E33 PolarHBondContact O-N 3.44Å; M30-E33 PolarHBondContact O-N 3.25Å; R31-E33 VanDerWaalsContact C-N 3.34Å; R31-E33 PolarHBondContact O-N 2.62Å; E33-L35 PolarHBondContact O-N 3.08Å; E33-T36 WeakPolarHBondContact O-CB 3.46Å; E33-T36 PolarHBondContact O-N 3.2Å; E33-L37 HydrophobicContact CG-CD1 4.23Å; E33-L37 VanDerWaalsContact O-CG 3.28Å; E33-L37 WeakPolarHBondContact O-CG 3.36Å; E33-L37 PolarHBondContact O-N 3.34Å; E33-I107 HydrophobicContact CB-CD1 3.92Å; E33-I107 HydrophobicContact CG-CD1 3.78Å; E33-I107 WeakPolarHBondContact OE2-CD1 3.46Å; E33-K108 WeakPolarHBondContact OE1-CE 3.07Å; E33-K108 IonicContact OE1-NZ 3.68Å; E33-K108 PolarHBondContact OE1-NZ 3.4Å
34	L	98.8	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-45.4	174.6	-76.1	166.2	0	0	0	111.7	L26 M30 R31 T36 L37 H38 W64 I107 C149 V151	L26-L34 HydrophobicContact CD1-CD1 3.94Å; M30-L34 HydrophobicContact CG-CD1 4.4Å; M30-L34 WeakPolarHBondContact O-CG 3.37Å; M30-L34 PolarHBondContact O-N 2.97Å; R31-L34 PolarHBondContact O-N 3.35Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 2.84Å; L34-L37 PolarHBondContact O-N 2.04Å; L34-H38 PolarHBondContact O-N 2.79Å; L34-H38 VanDerWaalsContact O-N 3.11Å; L34-H38 PolarHBondContact O-ND1 3.09Å; L34-W64 HydrophobicContact CB-CH2 4.46Å; L34-W64 HydrophobicContact CB-CZ3 4.09Å; L34-W64 HydrophobicContact CD1-CH2 4.49Å; L34-I107 HydrophobicContact CD2-CB 4.11Å; L34-I107 HydrophobicContact CD2-CD1 4.19Å; L34-I107 HydrophobicContact CD2-CG2 4.46Å; L34-I107 HydrophobicContact CG-CD1 3.89Å; L34-C149 HydrophobicContact CD1-CB 3.76Å; L34-V151 HydrophobicContact CD1-CG2 3.99Å
35	L	98.9	Very high	97.7	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-41.2	176.4	-175.6	61.5	0	0	0	112	R31 E33 H38 N39 L62 W64 V147	R31-L35 PolarHBondContact O-N 3.37Å; E33-L35 PolarHBondContact O-N 3.08Å; L35-H38 PolarHBondContact O-N 2.75Å; L35-N39 WeakPolarHBondContact O-CB 3.31Å; L35-N39 PolarHBondContact O-N 3.18Å; L35-N39 VanDerWaalsContact O-N 3.09Å; L35-N39 PolarHBondContact O-ND2 3.43Å; L35-L62 HydrophobicContact CD1-CB 4.42Å; L35-W64 HydrophobicContact CB-CE3 4.12Å; L35-W64 HydrophobicContact CD1-CE3 4.5Å; L35-W64 HydrophobicContact CD2-CB 4.31Å; L35-V147 HydrophobicContact CD1-CG1 3.87Å
36	T	98.8	Very high	98	Very high	70 Å²	70	49 Å²	49	43%	0.429	26%	0.255	S	S	.	.	H	α-helix	trans	-59.9	-51.2	176.2	-62.6	0	0	0	0	110.8	N32 E33 L34 H38 N39 E40	N32-T36 VanDerWaalsContact O-CB 3.31Å; N32-T36 WeakPolarHBondContact O-CB 3.35Å; N32-T36 PolarHBondContact O-N 3.16Å; N32-T36 PolarHBondContact O-OG1 2.71Å; E33-T36 WeakPolarHBondContact O-CB 3.46Å; E33-T36 PolarHBondContact O-N 3.2Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 2.84Å; T36-H38 VanDerWaalsContact C-N 3.32Å; T36-H38 PolarHBondContact O-N 2.89Å; T36-N39 CarbonylContact O-C 3.59Å; T36-N39 PolarHBondContact O-N 3.39Å; T36-E40 HydrophobicContact CG2-CG 4.14Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.46Å; T36-E40 WeakPolarHBondContact O-CB 3.45Å; T36-E40 WeakPolarHBondContact O-CG 3.33Å; T36-E40 PolarHBondContact O-N 3.19Å
37	L	98.9	Very high	98.1	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-43.1	179.1	-72.1	168.8	0	0	0	112.4	E33 L34 N39 E40 A41 K108 F111	E33-L37 HydrophobicContact CG-CD1 4.23Å; E33-L37 VanDerWaalsContact O-CG 3.28Å; E33-L37 WeakPolarHBondContact O-CG 3.36Å; E33-L37 PolarHBondContact O-N 3.34Å; L34-L37 PolarHBondContact O-N 2.04Å; L37-N39 PolarHBondContact O-N 3.23Å; L37-E40 PolarHBondContact O-N 3.34Å; L37-A41 WeakPolarHBondContact O-CB 3.01Å; L37-A41 PolarHBondContact O-N 3.19Å; L37-K108 HydrophobicContact CD1-CG 4.37Å; L37-F111 HydrophobicContact CB-CD1 3.83Å; L37-F111 HydrophobicContact CB-CD2 3.9Å; L37-F111 HydrophobicContact CB-CE1 3.78Å; L37-F111 HydrophobicContact CB-CE2 3.84Å; L37-F111 HydrophobicContact CB-CG 3.9Å; L37-F111 HydrophobicContact CB-CZ 3.8Å; L37-F111 HydrophobicContact CD1-CB 4.02Å; L37-F111 HydrophobicContact CD1-CD1 4.35Å; L37-F111 HydrophobicContact CD1-CD2 4.42Å; L37-F111 HydrophobicContact CD1-CG 4Å; L37-F111 HydrophobicContact CD2-CD1 4.27Å; L37-F111 HydrophobicContact CG-CD1 4.38Å; L37-F111 HydrophobicContact CG-CG 4.43Å; L37-F111 WeakPolarHBondContact O-CE1 3.1Å; L37-F111 WeakPolarHBondContact O-CZ 3.28Å
38	H	98.9	Very high	98.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-46.5	174.9	-77.9	84.9	0	0	0	112.1	L34 L35 T36 A41 R42 L62 F111 L139 Y167	L34-H38 PolarHBondContact O-N 2.79Å; L34-H38 VanDerWaalsContact O-N 3.11Å; L34-H38 PolarHBondContact O-ND1 3.09Å; L35-H38 PolarHBondContact O-N 2.75Å; T36-H38 VanDerWaalsContact C-N 3.32Å; T36-H38 PolarHBondContact O-N 2.89Å; H38-A41 PolarHBondContact O-N 3.42Å; H38-R42 WeakPolarHBondContact O-CG 3.35Å; H38-R42 PolarHBondContact O-N 3.3Å; H38-L62 HydrophobicContact CB-CD1 4.15Å; H38-F111 HydrophobicContact CB-CE2 4.48Å; H38-F111 AromaticContact CD2-CE2 3.93Å; H38-F111 AromaticContact CE1-CE2 3.6Å; H38-F111 AromaticContact CG-CE2 3.78Å; H38-F111 AromaticContact ND1-CE2 3.56Å; H38-F111 AromaticContact NE2-CE2 3.82Å; H38-L139 WeakPolarHBondContact CD2-CD2 3.18Å; H38-L139 WeakPolarHBondContact NE2-CD2 3.49Å; H38-Y167 AromaticContact CD2-CE1 3.57Å; H38-Y167 AromaticContact NE2-CE1 3.29Å; H38-Y167 VanDerWaalsContact NE2-CE1 3.29Å; H38-Y167 WeakPolarHBondContact NE2-CE1 3.47Å; H38-Y167 AromaticContact NE2-CZ 3.43Å; H38-Y167 PolarHBondContact NE2-OH 3.28Å
39	N	98.9	Very high	98.2	Very high	39 Å²	39	50.5 Å²	50.5	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-72.6	-32	-177.5	-73.1	-27.2	0	0	0	112.3	L35 T36 L37 R42 Q43 P61 L62	L35-N39 WeakPolarHBondContact O-CB 3.31Å; L35-N39 PolarHBondContact O-N 3.18Å; L35-N39 VanDerWaalsContact O-N 3.09Å; L35-N39 PolarHBondContact O-ND2 3.43Å; T36-N39 CarbonylContact O-C 3.59Å; T36-N39 PolarHBondContact O-N 3.39Å; L37-N39 PolarHBondContact O-N 3.23Å; N39-R42 PolarHBondContact O-N 2.77Å; N39-Q43 VanDerWaalsContact O-CB 3.28Å; N39-Q43 WeakPolarHBondContact O-CB 3.45Å; N39-Q43 PolarHBondContact O-N 3.34Å; N39-P61 HydrophobicContact CB-CB 4.43Å; N39-P61 WeakPolarHBondContact OD1-CA 3.37Å; N39-P61 WeakPolarHBondContact OD1-CB 3.02Å; N39-L62 PolarHBondContact ND2-O 2.78Å; N39-L62 PolarHBondContact OD1-N 2.9Å
40	E	98.7	Very high	98.2	Very high	118 Å²	118	48 Å²	48	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-65	-44	170.2	-73.8	177.8	165.2	0	0	111.6	T36 L37 R42 Q43 A44	T36-E40 HydrophobicContact CG2-CG 4.14Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.46Å; T36-E40 WeakPolarHBondContact O-CB 3.45Å; T36-E40 WeakPolarHBondContact O-CG 3.33Å; T36-E40 PolarHBondContact O-N 3.19Å; L37-E40 PolarHBondContact O-N 3.34Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 2.89Å; E40-Q43 CarbonylContact O-C 3.59Å; E40-Q43 PolarHBondContact O-N 3.03Å; E40-A44 WeakPolarHBondContact O-CB 3.33Å; E40-A44 PolarHBondContact O-N 3.34Å
41	A	98.7	Very high	98.2	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-42.2	175	0	0	0	0	0	112.2	L37 H38 A44 V45 F111 L115	L37-A41 WeakPolarHBondContact O-CB 3.01Å; L37-A41 PolarHBondContact O-N 3.19Å; H38-A41 PolarHBondContact O-N 3.42Å; A41-A44 WeakPolarHBondContact O-CB 3.48Å; A41-A44 PolarHBondContact O-N 3.24Å; A41-V45 PolarHBondContact O-N 3Å; A41-F111 HydrophobicContact CB-CE1 4.2Å; A41-F111 HydrophobicContact CB-CZ 4Å; A41-L115 HydrophobicContact CB-CD1 3.97Å
42	R	98.7	Very high	98	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-68.4	-34.6	175.9	-68	171.9	72.4	91.3	-9.3	111.9	H38 N39 E40 V45 R46 I59 K60 L139 W141 T144	H38-R42 WeakPolarHBondContact O-CG 3.35Å; H38-R42 PolarHBondContact O-N 3.3Å; N39-R42 PolarHBondContact O-N 2.77Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 2.89Å; R42-V45 WeakPolarHBondContact O-CG2 3.38Å; R42-R46 WeakPolarHBondContact O-CG 3.5Å; R42-R46 PolarHBondContact O-N 3.25Å; R42-I59 HydrophobicContact CB-CD1 4.11Å; R42-I59 HydrophobicContact CB-CG1 4.37Å; R42-I59 HydrophobicContact CG-CD1 3.89Å; R42-I59 HydrophobicContact CG-CG1 4.37Å; R42-I59 VanDerWaalsContact NH2-CG1 3.28Å; R42-K60 PolarHBondContact NE-O 3.15Å; R42-K60 PolarHBondContact NH2-O 3.18Å; R42-L139 WeakPolarHBondContact CG-O 3.33Å; R42-L139 PolarHBondContact NH1-O 2.9Å; R42-W141 PolarHBondContact NH1-O 3.02Å; R42-T144 PolarHBondContact NH2-O 3.38Å
43	Q	98.4	Very high	98	Very high	78 Å²	78	51.6 Å²	51.6	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-70	-34.8	172.8	-171.3	60.5	41.3	0	0	111.8	N39 E40 V45 R46 N47	N39-Q43 VanDerWaalsContact O-CB 3.28Å; N39-Q43 WeakPolarHBondContact O-CB 3.45Å; N39-Q43 PolarHBondContact O-N 3.34Å; E40-Q43 CarbonylContact O-C 3.59Å; E40-Q43 PolarHBondContact O-N 3.03Å; Q43-V45 PolarHBondContact O-N 2.98Å; Q43-R46 WeakPolarHBondContact O-CB 3.26Å; Q43-R46 PolarHBondContact O-N 2.87Å; Q43-R46 VanDerWaalsContact O-N 3.12Å; Q43-N47 PolarHBondContact NE2-ND2 2.92Å; Q43-N47 PolarHBondContact NE2-OD1 2.91Å; Q43-N47 WeakPolarHBondContact O-CB 3.32Å; Q43-N47 VanDerWaalsContact O-CG 3.27Å; Q43-N47 PolarHBondContact O-N 2.9Å; Q43-N47 PolarHBondContact O-ND2 2.89Å
44	A	98.3	Very high	97.9	Very high	12 Å²	12	49.1 Å²	49.1	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-41.4	178.2	0	0	0	0	0	112.3	E40 A41 N47 G48 Q49 L50	E40-A44 WeakPolarHBondContact O-CB 3.33Å; E40-A44 PolarHBondContact O-N 3.34Å; A41-A44 WeakPolarHBondContact O-CB 3.48Å; A41-A44 PolarHBondContact O-N 3.24Å; A44-N47 PolarHBondContact O-N 3.25Å; A44-G48 PolarHBondContact O-N 2.76Å; A44-G48 VanDerWaalsContact O-N 3.14Å; A44-Q49 HydrophobicContact CB-CB 4.11Å; A44-Q49 PolarHBondContact O-N 3.06Å; A44-L50 HydrophobicContact CB-CD2 4.07Å; A44-L50 HydrophobicContact CB-CG 4.13Å
45	V	97.8	Very high	97.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-31.3	173.4	-65.8	0	0	0	0	112.9	A41 R42 Q43 N47 G48 L50 I55 A56 I59 V140 Y179	A41-V45 PolarHBondContact O-N 3Å; R42-V45 WeakPolarHBondContact O-CG2 3.38Å; Q43-V45 PolarHBondContact O-N 2.98Å; V45-N47 VanDerWaalsContact C-N 3.31Å; V45-G48 PolarHBondContact O-N 3.36Å; V45-L50 HydrophobicContact CG1-CD1 3.59Å; V45-L50 HydrophobicContact CG1-CG 4.18Å; V45-I55 WeakPolarHBondContact O-CA 3.5Å; V45-A56 HydrophobicContact CB-CB 4.27Å; V45-A56 HydrophobicContact CG2-CB 3.94Å; V45-A56 PolarHBondContact O-N 2.93Å; V45-I59 HydrophobicContact CG2-CD1 4Å; V45-I59 HydrophobicContact CG2-CG2 4.1Å; V45-V140 HydrophobicContact CG1-CB 4.41Å; V45-V140 HydrophobicContact CG1-CG1 3.89Å; V45-V140 HydrophobicContact CG2-CB 4.36Å; V45-V140 HydrophobicContact CG2-CG1 4.14Å; V45-Y179 HydrophobicContact CB-CE1 4.3Å; V45-Y179 HydrophobicContact CG1-CE1 4.25Å; V45-Y179 HydrophobicContact CG2-CE1 4.44Å
46	R	97.3	Very high	97.8	Very high	102 Å²	102	51.2 Å²	51.2	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-67.8	-33	172.5	-67.5	-178.9	75.7	-171.8	0.6	112.9	R42 Q43 G48 I55 A56 I59	R42-R46 WeakPolarHBondContact O-CG 3.5Å; R42-R46 PolarHBondContact O-N 3.25Å; Q43-R46 WeakPolarHBondContact O-CB 3.26Å; Q43-R46 PolarHBondContact O-N 2.87Å; Q43-R46 VanDerWaalsContact O-N 3.12Å; R46-G48 VanDerWaalsContact C-N 3.34Å; R46-I55 WeakPolarHBondContact O-CG2 3.17Å; R46-A56 HydrophobicContact CG-CB 4.24Å; R46-I59 WeakPolarHBondContact CD-O 3.29Å; R46-I59 HydrophobicContact CG-CG2 3.2Å
47	N	97.2	Very high	97.7	Very high	83 Å²	83	51.1 Å²	51.1	44%	0.444	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.8	-178.2	-67.7	-13.5	0	0	0	112.9	Q43 A44 V45 Q49	Q43-N47 PolarHBondContact NE2-ND2 2.92Å; Q43-N47 PolarHBondContact NE2-OD1 2.91Å; Q43-N47 WeakPolarHBondContact O-CB 3.32Å; Q43-N47 VanDerWaalsContact O-CG 3.27Å; Q43-N47 PolarHBondContact O-N 2.9Å; Q43-N47 PolarHBondContact O-ND2 2.89Å; A44-N47 PolarHBondContact O-N 3.25Å; V45-N47 VanDerWaalsContact C-N 3.31Å; N47-Q49 VanDerWaalsContact C-N 3.28Å; N47-Q49 HydrophobicContact CB-CG 3.69Å; N47-Q49 PolarHBondContact ND2-OE1 3.22Å; N47-Q49 PolarHBondContact O-N 3.44Å
48	G	96.8	Very high	97.5	Very high	37 Å²	37	51.3 Å²	51.3	38%	0.381	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	29.6	-175.8	0	0	0	0	0	113.5	A44 V45 R46	A44-G48 PolarHBondContact O-N 2.76Å; A44-G48 VanDerWaalsContact O-N 3.14Å; V45-G48 PolarHBondContact O-N 3.36Å; R46-G48 VanDerWaalsContact C-N 3.34Å
49	Q	97.8	Very high	97.4	Very high	128 Å²	128	51.4 Å²	51.4	60%	0.598	28%	0.278	S	S	*	.			trans	-87.6	-13.5	-174.7	-69.3	172.4	-45.3	0	0	113.5	A44 N47	A44-Q49 HydrophobicContact CB-CB 4.11Å; A44-Q49 PolarHBondContact O-N 3.06Å; N47-Q49 VanDerWaalsContact C-N 3.28Å; N47-Q49 HydrophobicContact CB-CG 3.69Å; N47-Q49 PolarHBondContact ND2-OE1 3.22Å; N47-Q49 PolarHBondContact O-N 3.44Å
50	L	97.3	Very high	97.4	Very high	15 Å²	15	57 Å²	57	8%	0.079	30%	0.3	C	S	.	.	S	Bend	trans	-94	107.8	175	-57.7	-168.8	0	0	0	109.7	A44 V45 G52 Q53 L115 Y118 Y136	A44-L50 HydrophobicContact CB-CD2 4.07Å; A44-L50 HydrophobicContact CB-CG 4.13Å; V45-L50 HydrophobicContact CG1-CD1 3.59Å; V45-L50 HydrophobicContact CG1-CG 4.18Å; L50-G52 PolarHBondContact O-N 3.47Å; L50-Q53 HydrophobicContact CB-CB 4.14Å; L50-Q53 HydrophobicContact CB-CG 4.07Å; L50-Q53 WeakPolarHBondContact O-CB 3.26Å; L50-Q53 PolarHBondContact O-N 2.81Å; L50-L115 HydrophobicContact CD1-CD1 3.97Å; L50-Y118 HydrophobicContact CB-CD2 4Å; L50-Y118 HydrophobicContact CB-CE2 4.18Å; L50-Y118 HydrophobicContact CB-CG 4.33Å; L50-Y118 HydrophobicContact CD1-CD1 4.36Å; L50-Y118 HydrophobicContact CD1-CG 4.2Å; L50-Y118 HydrophobicContact CD2-CD1 4.32Å; L50-Y118 HydrophobicContact CD2-CE1 4.22Å; L50-Y136 HydrophobicContact CD1-CE2 3.67Å
51	F	96.2	Very high	97.3	Very high	181 Å²	181	55.6 Å²	55.6	79%	0.794	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133.4	-177.3	-179.3	-98.2	0	0	0	111.9	Q53 Y118	F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.23Å; F51-Y118 WeakPolarHBondContact O-CE2 3.22Å
52	G	95.6	Very high	97.4	Very high	59 Å²	59	55.8 Å²	55.8	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-5.2	-178.4	0	0	0	0	0	115	L50	L50-G52 PolarHBondContact O-N 3.47Å
53	Q	97.2	Very high	97.4	Very high	18 Å²	18	61 Å²	61	8%	0.084	33%	0.325	C	S	.	.			trans	-104.1	134.9	176.5	-55.6	-58.4	-35.1	0	0	110.5	L50 F51 Y118 Y121 Y136	L50-Q53 HydrophobicContact CB-CB 4.14Å; L50-Q53 HydrophobicContact CB-CG 4.07Å; L50-Q53 WeakPolarHBondContact O-CB 3.26Å; L50-Q53 PolarHBondContact O-N 2.81Å; F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.23Å; Q53-Y118 HydrophobicContact CG-CD2 4.12Å; Q53-Y118 PolarHBondContact NE2-O 2.82Å; Q53-Y121 PolarHBondContact NE2-O 3.45Å; Q53-Y136 WeakPolarHBondContact CG-OH 3.23Å
54	P	97.3	Very high	97.4	Very high	19 Å²	19	59.5 Å²	59.5	12%	0.123	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.1	158.5	178.1	29.4	-33.9	0	0	0	111.8	A56 F123 Y179 T181	P54-A56 PolarHBondContact O-N 3.27Å; P54-F123 VanDerWaalsContact CD-CG 3.47Å; P54-F123 HydrophobicContact CG-CB 3.99Å; P54-F123 HydrophobicContact CG-CD1 3.4Å; P54-F123 HydrophobicContact CG-CD2 3.6Å; P54-F123 HydrophobicContact CG-CE1 3.69Å; P54-F123 HydrophobicContact CG-CE2 3.88Å; P54-F123 HydrophobicContact CG-CG 3.36Å; P54-F123 HydrophobicContact CG-CZ 3.93Å; P54-Y179 HydrophobicContact CG-CE2 4.26Å; P54-Y179 VanDerWaalsContact O-CE2 3.3Å; P54-Y179 WeakPolarHBondContact O-CE2 3.41Å; P54-Y179 PolarHBondContact O-OH 3.49Å; P54-T181 HydrophobicContact CB-CG2 3.63Å; P54-T181 HydrophobicContact CG-CG2 3.45Å; P54-T181 VanDerWaalsContact CG-CG2 3.45Å
55	I	97.7	Very high	97.4	Very high	78 Å²	78	59.7 Å²	59.7	40%	0.4	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-64.9	127.8	177.8	-69.6	170.3	0	0	0	110.4	V45 R46 T181	V45-I55 WeakPolarHBondContact O-CA 3.5Å; R46-I55 WeakPolarHBondContact O-CG2 3.17Å; I55-T181 WeakPolarHBondContact O-CA 3.36Å
56	A	97.6	Very high	97.4	Very high	3 Å²	3	64.4 Å²	64.4	3%	0.025	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-80.9	127.1	171.7	0	0	0	0	0	111.2	V45 R46 P54 I59 Y179 R180	V45-A56 HydrophobicContact CB-CB 4.27Å; V45-A56 HydrophobicContact CG2-CB 3.94Å; V45-A56 PolarHBondContact O-N 2.93Å; R46-A56 HydrophobicContact CG-CB 4.24Å; P54-A56 PolarHBondContact O-N 3.27Å; A56-I59 HydrophobicContact CB-CB 4.1Å; A56-I59 HydrophobicContact CB-CG2 3.51Å; A56-Y179 HydrophobicContact CB-CD1 4.43Å; A56-Y179 HydrophobicContact CB-CD2 3.4Å; A56-Y179 VanDerWaalsContact CB-CD2 3.4Å; A56-Y179 HydrophobicContact CB-CE2 3.66Å; A56-Y179 HydrophobicContact CB-CG 3.81Å; A56-R180 WeakPolarHBondContact CA-O 3.41Å
57	V	96.4	Very high	97.5	Very high	67 Å²	67	63.1 Å²	63.1	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-89.2	-23.8	-175.9	-62.3	0	0	0	0	114.4	R180 T182	V57-R180 HydrophobicContact CG2-CB 3.74Å; V57-R180 PolarHBondContact N-O 3.09Å; V57-T182 HydrophobicContact CG1-CG2 3.38Å
58	S	94.8	Very high	97.5	Very high	31 Å²	31	59.2 Å²	59.2	22%	0.217	32%	0.321	C	S	.	.	S	Bend	trans	-142.1	8.7	-170.3	47.5	0	0	0	0	116.2	K60 E142 R180	S58-K60 PolarHBondContact O-N 2.87Å; S58-E142 VanDerWaalsContact CB-OE1 3.26Å; S58-E142 WeakPolarHBondContact CB-OE1 3.46Å; S58-E142 PolarHBondContact OG-OE1 3.13Å; S58-R180 VanDerWaalsContact OG-CZ 3.3Å; S58-R180 PolarHBondContact OG-NE 2.92Å; S58-R180 VanDerWaalsContact OG-NE 3.09Å; S58-R180 PolarHBondContact OG-NH2 2.74Å
59	I	97.1	Very high	97.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.309	C	S	.	.			trans	-62	129.8	175.2	-165.5	171.9	0	0	0	110.5	R42 V45 R46 A56 V140 E142	R42-I59 HydrophobicContact CB-CD1 4.11Å; R42-I59 HydrophobicContact CB-CG1 4.37Å; R42-I59 HydrophobicContact CG-CD1 3.89Å; R42-I59 HydrophobicContact CG-CG1 4.37Å; R42-I59 VanDerWaalsContact NH2-CG1 3.28Å; V45-I59 HydrophobicContact CG2-CD1 4Å; V45-I59 HydrophobicContact CG2-CG2 4.1Å; R46-I59 WeakPolarHBondContact CD-O 3.29Å; R46-I59 HydrophobicContact CG-CG2 3.2Å; A56-I59 HydrophobicContact CB-CB 4.1Å; A56-I59 HydrophobicContact CB-CG2 3.51Å; I59-V140 HydrophobicContact CD1-CB 3.99Å; I59-V140 VanDerWaalsContact CD1-O 3.25Å; I59-V140 WeakPolarHBondContact CD1-O 3.47Å; I59-E142 PolarHBondContact N-OE1 3.44Å
60	K	97.7	Very high	97.6	Very high	156 Å²	156	58.1 Å²	58.1	68%	0.678	30%	0.301	S	S	*	.			trans	-104	153.7	-174.8	-65.4	-178.6	-177.8	176.2	0	111.4	R42 S58	R42-K60 PolarHBondContact NE-O 3.15Å; R42-K60 PolarHBondContact NH2-O 3.18Å; S58-K60 PolarHBondContact O-N 2.87Å
61	P	98.6	Very high	97.7	Very high	89 Å²	89	59.5 Å²	59.5	58%	0.578	31%	0.306	S	S	*	.			trans	-58.8	146.9	169.4	27.4	-35.1	0	0	0	111.2	N39	N39-P61 HydrophobicContact CB-CB 4.43Å; N39-P61 WeakPolarHBondContact OD1-CA 3.37Å; N39-P61 WeakPolarHBondContact OD1-CB 3.02Å
62	L	98.9	Very high	97.8	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	27%	0.269	C	S	.	.			trans	-77	153.4	171.5	-54.9	-176.3	0	0	0	110.2	L35 H38 N39 T144 T145 V147 Y167	L35-L62 HydrophobicContact CD1-CB 4.42Å; H38-L62 HydrophobicContact CB-CD1 4.15Å; N39-L62 PolarHBondContact ND2-O 2.78Å; N39-L62 PolarHBondContact OD1-N 2.9Å; L62-T144 HydrophobicContact CD2-CG2 3.95Å; L62-T144 WeakPolarHBondContact CD2-O 3.48Å; L62-T145 WeakPolarHBondContact CA-O 3.29Å; L62-V147 HydrophobicContact CB-CG1 4.08Å; L62-V147 HydrophobicContact CD1-CB 3.94Å; L62-V147 HydrophobicContact CD1-CG1 4.04Å; L62-Y167 HydrophobicContact CD1-CD1 4.48Å
63	K	98.7	Very high	97.9	Very high	113 Å²	113	49.1 Å²	49.1	49%	0.491	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	154.3	166	67.6	-175.9	-175.5	177	0	110	E93 T145 D146 V147	K63-E93 IonicContact NZ-OE1 2.73Å; K63-T145 PolarHBondContact N-O 2.8Å; K63-D146 WeakPolarHBondContact CE-OD1 3.35Å; K63-D146 WeakPolarHBondContact CE-OD2 3.28Å; K63-D146 IonicContact NZ-OD1 3.94Å; K63-D146 IonicContact NZ-OD2 3.65Å; K63-D146 WeakPolarHBondContact O-CA 3.44Å; K63-V147 PolarHBondContact O-N 3.44Å
64	W	98.8	Very high	97.9	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.178	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	139.5	175.5	-166	-91.9	0	0	0	111.6	L26 R31 L34 L35 E69 V147 C149	L26-W64 HydrophobicContact CD2-CZ2 4.3Å; R31-W64 HydrophobicContact CB-CH2 4.47Å; R31-W64 HydrophobicContact CB-CZ2 4.46Å; R31-W64 HydrophobicContact CG-CD2 3.63Å; R31-W64 VanDerWaalsContact CG-CE2 3.44Å; R31-W64 HydrophobicContact CG-CE3 3.92Å; R31-W64 HydrophobicContact CG-CG 4.2Å; R31-W64 HydrophobicContact CG-CH2 3.79Å; R31-W64 HydrophobicContact CG-CZ2 3.55Å; R31-W64 HydrophobicContact CG-CZ3 3.99Å; L34-W64 HydrophobicContact CB-CH2 4.46Å; L34-W64 HydrophobicContact CB-CZ3 4.09Å; L34-W64 HydrophobicContact CD1-CH2 4.49Å; L35-W64 HydrophobicContact CB-CE3 4.12Å; L35-W64 HydrophobicContact CD1-CE3 4.5Å; L35-W64 HydrophobicContact CD2-CB 4.31Å; W64-E69 HydrophobicContact CZ2-CB 3.9Å; W64-E69 HydrophobicContact CZ2-CG 4.23Å; W64-E69 VanDerWaalsContact CZ2-OE2 3.24Å; W64-E69 WeakPolarHBondContact CZ2-OE2 3.48Å; W64-E69 PolarHBondContact NE1-OE2 3.05Å; W64-V147 CarbonylContact C-O 3.37Å; W64-V147 VanDerWaalsContact CA-O 3.28Å; W64-V147 WeakPolarHBondContact CA-O 3.24Å; W64-V147 HydrophobicContact CE3-CG1 4.18Å; W64-C149 HydrophobicContact CH2-CB 3.69Å; W64-C149 VanDerWaalsContact CH2-N 3.26Å; W64-C149 HydrophobicContact CZ2-CB 4.43Å; W64-C149 VanDerWaalsContact CZ2-N 3.29Å; W64-C149 HydrophobicContact CZ3-CB 4.44Å
65	N	98.7	Very high	97.9	Very high	16 Å²	16	51.4 Å²	51.4	9%	0.086	26%	0.255	C	S	.	.			trans	-126.8	116.8	177.6	-169.3	-57.2	0	0	0	111	E67 L68 E69 E93 D146 V147	N65-E67 VanDerWaalsContact C-N 3.34Å; N65-E67 PolarHBondContact O-N 2.77Å; N65-E67 PolarHBondContact OD1-N 2.81Å; N65-E67 VanDerWaalsContact OD1-N 3.12Å; N65-L68 HydrophobicContact CB-CB 4.16Å; N65-L68 HydrophobicContact CB-CD1 3.89Å; N65-L68 HydrophobicContact CB-CG 3.96Å; N65-L68 PolarHBondContact O-N 3.47Å; N65-L68 PolarHBondContact OD1-N 2.67Å; N65-E69 PolarHBondContact O-N 3.09Å; N65-E93 PolarHBondContact ND2-OE2 2.79Å; N65-E93 VanDerWaalsContact ND2-OE2 3.12Å; N65-D146 HydrophobicContact CB-CB 3.97Å; N65-D146 WeakPolarHBondContact CB-OD1 3.39Å; N65-D146 PolarHBondContact ND2-OD1 3.27Å; N65-V147 PolarHBondContact N-O 3.48Å
66	V	98.1	Very high	97.9	Very high	100 Å²	100	47.7 Å²	47.7	61%	0.606	24%	0.236	S	C	*	.	H	α-helix	trans	-68.6	-27.8	-173.6	-65	0	0	0	0	113.7	R70	V66-R70 WeakPolarHBondContact O-CB 3.42Å; V66-R70 PolarHBondContact O-N 3.37Å
67	E	98.3	Very high	97.9	Very high	76 Å²	76	50.4 Å²	50.4	36%	0.355	25%	0.25	S	S	.	.	H	α-helix	trans	-74.8	-37.7	175.4	-74.2	-61.1	144.1	0	0	111.3	N65 R70 K71 I91	N65-E67 VanDerWaalsContact C-N 3.34Å; N65-E67 PolarHBondContact O-N 2.77Å; N65-E67 PolarHBondContact OD1-N 2.81Å; N65-E67 VanDerWaalsContact OD1-N 3.12Å; E67-R70 PolarHBondContact O-N 3.06Å; E67-R70 IonicContact OE2-CZ 3Å; E67-R70 IonicContact OE2-NE 3.46Å; E67-R70 PolarHBondContact OE2-NE 3.27Å; E67-R70 IonicContact OE2-NH2 2.79Å; E67-R70 PolarHBondContact OE2-NH2 2.97Å; E67-K71 WeakPolarHBondContact O-CG 3.46Å; E67-K71 PolarHBondContact O-N 3.38Å; E67-I91 HydrophobicContact CB-CB 4.13Å; E67-I91 HydrophobicContact CB-CD1 3.79Å; E67-I91 HydrophobicContact CB-CG2 3.85Å
68	L	98.8	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-43.7	172.1	-66.2	-177	0	0	0	111.2	N65 K71 A72 I91 F94 V97 D146 N166	N65-L68 HydrophobicContact CB-CB 4.16Å; N65-L68 HydrophobicContact CB-CD1 3.89Å; N65-L68 HydrophobicContact CB-CG 3.96Å; N65-L68 PolarHBondContact O-N 3.47Å; N65-L68 PolarHBondContact OD1-N 2.67Å; L68-K71 PolarHBondContact O-N 2.72Å; L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 3.07Å; L68-I91 HydrophobicContact CD2-CD1 3.74Å; L68-I91 HydrophobicContact CD2-CG1 3.95Å; L68-I91 HydrophobicContact CD2-CG2 4.12Å; L68-I91 HydrophobicContact CG-CD1 3.88Å; L68-F94 HydrophobicContact CD1-CD2 4.34Å; L68-F94 HydrophobicContact CD1-CE2 4.33Å; L68-F94 HydrophobicContact CD2-CD2 4.27Å; L68-V97 HydrophobicContact CD2-CB 4.49Å; L68-V97 HydrophobicContact CD2-CG1 3.83Å; L68-V97 HydrophobicContact CD2-CG2 3.77Å; L68-D146 HydrophobicContact CD1-CB 3.8Å; L68-N166 HydrophobicContact CB-CB 4.05Å; L68-N166 HydrophobicContact CD2-CB 4.19Å; L68-N166 PolarHBondContact O-ND2 3.45Å
69	E	98.6	Very high	97.8	Very high	29 Å²	29	51.4 Å²	51.4	14%	0.136	25%	0.25	C	S	.	.	H	α-helix	trans	-56.8	-51.7	173.4	158.5	173.4	170.6	0	0	110.8	L26 R31 W64 N65 K71 A72 Q73 C149	L26-E69 HydrophobicContact CD2-CG 3.96Å; L26-E69 WeakPolarHBondContact CD2-OE1 3.1Å; R31-E69 IonicContact CZ-OE1 2.85Å; R31-E69 IonicContact CZ-OE2 2.74Å; R31-E69 IonicContact NE-OE1 3.72Å; R31-E69 IonicContact NE-OE2 2.99Å; R31-E69 PolarHBondContact NE-OE2 3.34Å; R31-E69 IonicContact NH2-OE1 2.74Å; R31-E69 PolarHBondContact NH2-OE1 3.16Å; R31-E69 IonicContact NH2-OE2 3.64Å; R31-E69 PolarHBondContact NH2-OE2 2.89Å; W64-E69 HydrophobicContact CZ2-CB 3.9Å; W64-E69 HydrophobicContact CZ2-CG 4.23Å; W64-E69 VanDerWaalsContact CZ2-OE2 3.24Å; W64-E69 WeakPolarHBondContact CZ2-OE2 3.48Å; W64-E69 PolarHBondContact NE1-OE2 3.05Å; N65-E69 PolarHBondContact O-N 3.09Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 PolarHBondContact O-N 3.36Å; E69-A72 CarbonylContact O-C 3.58Å; E69-A72 WeakPolarHBondContact O-CB 3.03Å; E69-A72 PolarHBondContact O-N 3.17Å; E69-Q73 WeakPolarHBondContact O-CB 3.34Å; E69-Q73 PolarHBondContact O-N 3.34Å; E69-C149 VanDerWaalsContact CG-O 3.28Å; E69-C149 WeakPolarHBondContact CG-O 3.43Å
70	R	98	Very high	97.7	Very high	114 Å²	114	55.4 Å²	55.4	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-57.5	-42.3	-179	-171.8	-172.3	64.2	76.3	-1.7	111.8	V66 E67 I74	V66-R70 WeakPolarHBondContact O-CB 3.42Å; V66-R70 PolarHBondContact O-N 3.37Å; E67-R70 PolarHBondContact O-N 3.06Å; E67-R70 IonicContact OE2-CZ 3Å; E67-R70 IonicContact OE2-NE 3.46Å; E67-R70 PolarHBondContact OE2-NE 3.27Å; E67-R70 IonicContact OE2-NH2 2.79Å; E67-R70 PolarHBondContact OE2-NH2 2.97Å; R70-I74 WeakPolarHBondContact O-CG1 3.49Å; R70-I74 PolarHBondContact O-N 3.5Å
71	K	98.3	Very high	97.5	Very high	43 Å²	43	52.1 Å²	52.1	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-42	175.3	-68.8	-60.2	-158.2	148.3	0	112.3	E67 L68 E69 Q73 I74 L75 D88 Q90 I91	E67-K71 WeakPolarHBondContact O-CG 3.46Å; E67-K71 PolarHBondContact O-N 3.38Å; L68-K71 PolarHBondContact O-N 2.72Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 PolarHBondContact O-N 3.36Å; K71-Q73 VanDerWaalsContact C-N 3.31Å; K71-Q73 PolarHBondContact O-N 3.13Å; K71-I74 HydrophobicContact CD-CD1 4.42Å; K71-I74 PolarHBondContact O-N 3.02Å; K71-L75 PolarHBondContact O-N 2.78Å; K71-D88 VanDerWaalsContact CD-O 3.26Å; K71-D88 WeakPolarHBondContact CD-O 3.48Å; K71-D88 VanDerWaalsContact CE-O 3.32Å; K71-D88 WeakPolarHBondContact CE-O 3.13Å; K71-D88 PolarHBondContact NZ-O 2.82Å; K71-Q90 VanDerWaalsContact CE-O 3.23Å; K71-Q90 WeakPolarHBondContact CE-O 3.38Å; K71-I91 HydrophobicContact CG-CG2 3.82Å
72	A	98.7	Very high	97.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-38.4	177.7	0	0	0	0	0	111.5	L68 E69 L75 S76 G150 V164 N166	L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 3.07Å; E69-A72 CarbonylContact O-C 3.58Å; E69-A72 WeakPolarHBondContact O-CB 3.03Å; E69-A72 PolarHBondContact O-N 3.17Å; A72-L75 PolarHBondContact O-N 3.26Å; A72-S76 PolarHBondContact O-N 2.92Å; A72-G150 VanDerWaalsContact CB-N 3.31Å; A72-V164 HydrophobicContact CB-CB 4.06Å; A72-V164 HydrophobicContact CB-CG1 3.76Å; A72-N166 WeakPolarHBondContact CA-ND2 3.26Å; A72-N166 HydrophobicContact CB-CB 4.35Å; A72-N166 PolarHBondContact N-ND2 3.28Å; A72-N166 VanDerWaalsContact N-ND2 3.16Å
73	Q	98.2	Very high	97.2	Very high	23 Å²	23	52.7 Å²	52.7	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-40	177	-167.7	63.2	50.1	0	0	112	A24 E69 K71 L75 S76 D77 V151 T152	A24-Q73 HydrophobicContact CB-CG 4.3Å; A24-Q73 VanDerWaalsContact CB-NE2 3.33Å; E69-Q73 WeakPolarHBondContact O-CB 3.34Å; E69-Q73 PolarHBondContact O-N 3.34Å; K71-Q73 VanDerWaalsContact C-N 3.31Å; K71-Q73 PolarHBondContact O-N 3.13Å; Q73-L75 VanDerWaalsContact C-N 3.25Å; Q73-L75 PolarHBondContact O-N 3.5Å; Q73-S76 WeakPolarHBondContact CA-OG 3.43Å; Q73-S76 PolarHBondContact NE2-OG 2.76Å; Q73-S76 VanDerWaalsContact NE2-OG 3.15Å; Q73-S76 PolarHBondContact O-N 3.32Å; Q73-S76 PolarHBondContact O-OG 3.32Å; Q73-D77 PolarHBondContact NE2-OD1 3.18Å; Q73-D77 WeakPolarHBondContact O-CB 3.11Å; Q73-D77 PolarHBondContact O-N 3.42Å; Q73-V151 PolarHBondContact NE2-O 2.91Å; Q73-V151 PolarHBondContact OE1-O 3.3Å; Q73-T152 PolarHBondContact NE2-OG1 3.35Å
74	I	97.3	Very high	97.2	Very high	84 Å²	84	48.2 Å²	48.2	43%	0.431	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-38.3	174.7	-69.7	165.8	0	0	0	111.7	R70 K71 Q78	R70-I74 WeakPolarHBondContact O-CG1 3.49Å; R70-I74 PolarHBondContact O-N 3.5Å; K71-I74 HydrophobicContact CD-CD1 4.42Å; K71-I74 PolarHBondContact O-N 3.02Å; I74-Q78 WeakPolarHBondContact O-CG 3.42Å; I74-Q78 PolarHBondContact O-NE2 2.79Å; I74-Q78 VanDerWaalsContact O-NE2 3.08Å
75	L	97.4	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-74.9	-43	175.3	177.9	57.8	0	0	0	111.6	K71 A72 Q73 D77 Q78 D84 Q99 V164	K71-L75 PolarHBondContact O-N 2.78Å; A72-L75 PolarHBondContact O-N 3.26Å; Q73-L75 VanDerWaalsContact C-N 3.25Å; Q73-L75 PolarHBondContact O-N 3.5Å; L75-D77 VanDerWaalsContact C-N 3.26Å; L75-D77 PolarHBondContact O-N 2.82Å; L75-Q78 WeakPolarHBondContact O-CB 3.39Å; L75-Q78 PolarHBondContact O-N 3.28Å; L75-Q78 VanDerWaalsContact O-N 3.08Å; L75-D84 HydrophobicContact CD1-CB 4.15Å; L75-D84 HydrophobicContact CD2-CB 4.12Å; L75-Q99 VanDerWaalsContact CD2-OE1 3.31Å; L75-V164 HydrophobicContact CB-CG1 4.36Å; L75-V164 HydrophobicContact CB-CG2 4.17Å; L75-V164 HydrophobicContact CD2-CG1 3.91Å; L75-V164 HydrophobicContact CD2-CG2 4.02Å; L75-V164 HydrophobicContact CG-CG1 4.44Å; L75-V164 HydrophobicContact CG-CG2 3.9Å
76	S	97.5	Very high	97	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-35.4	-179.3	65.9	0	0	0	0	112.1	A72 Q73 Q78 C79 T152 S162	A72-S76 PolarHBondContact O-N 2.92Å; Q73-S76 WeakPolarHBondContact CA-OG 3.43Å; Q73-S76 PolarHBondContact NE2-OG 2.76Å; Q73-S76 VanDerWaalsContact NE2-OG 3.15Å; Q73-S76 PolarHBondContact O-N 3.32Å; Q73-S76 PolarHBondContact O-OG 3.32Å; S76-Q78 PolarHBondContact O-N 3.07Å; S76-Q78 VanDerWaalsContact O-N 3.16Å; S76-C79 PolarHBondContact O-N 2.73Å; S76-C79 VanDerWaalsContact O-N 3.08Å; S76-T152 VanDerWaalsContact CB-OG1 3.26Å; S76-T152 WeakPolarHBondContact CB-OG1 3.48Å; S76-T152 WeakPolarHBondContact O-CB 3.37Å; S76-T152 PolarHBondContact O-OG1 3.16Å; S76-T152 PolarHBondContact OG-OG1 2.78Å; S76-S162 WeakPolarHBondContact CB-O 3.44Å; S76-S162 WeakPolarHBondContact O-CB 3.31Å
77	D	96.2	Very high	97	Very high	60 Å²	60	50.8 Å²	50.8	32%	0.321	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.7	176.5	-69.9	-16.1	0	0	0	113.8	V22 Q73 L75 C79 T152	V22-D77 HydrophobicContact CG1-CB 4.29Å; V22-D77 WeakPolarHBondContact CG1-O 3.44Å; Q73-D77 PolarHBondContact NE2-OD1 3.18Å; Q73-D77 WeakPolarHBondContact O-CB 3.11Å; Q73-D77 PolarHBondContact O-N 3.42Å; L75-D77 VanDerWaalsContact C-N 3.26Å; L75-D77 PolarHBondContact O-N 2.82Å; D77-C79 VanDerWaalsContact C-N 3.26Å; D77-C79 PolarHBondContact O-N 3.43Å; D77-T152 PolarHBondContact N-OG1 2.67Å; D77-T152 PolarHBondContact OD1-OG1 2.73Å
78	Q	95.1	Very high	97	Very high	91 Å²	91	51 Å²	51	43%	0.425	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.4	175.8	-65.3	168.6	36.3	0	0	112.7	I74 L75 S76 R80	I74-Q78 WeakPolarHBondContact O-CG 3.42Å; I74-Q78 PolarHBondContact O-NE2 2.79Å; I74-Q78 VanDerWaalsContact O-NE2 3.08Å; L75-Q78 WeakPolarHBondContact O-CB 3.39Å; L75-Q78 PolarHBondContact O-N 3.28Å; L75-Q78 VanDerWaalsContact O-N 3.08Å; S76-Q78 PolarHBondContact O-N 3.07Å; S76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-R80 HydrophobicContact CB-CG 3.97Å; Q78-R80 PolarHBondContact O-N 3.47Å; Q78-R80 VanDerWaalsContact O-N 3.12Å
79	C	95	Very high	96.9	Very high	29 Å²	29	52.2 Å²	52.2	20%	0.196	27%	0.273	C	S	.	.			trans	44.9	47.1	179.7	-66.8	0	0	0	0	112.9	S76 D77 C154 F157	S76-C79 PolarHBondContact O-N 2.73Å; S76-C79 VanDerWaalsContact O-N 3.08Å; D77-C79 VanDerWaalsContact C-N 3.26Å; D77-C79 PolarHBondContact O-N 3.43Å; C79-C154 WeakPolarHBondContact CA-SG 3.39Å; C79-C154 HydrophobicContact CB-CB 3.65Å; C79-C154 WeakPolarHBondContact CB-SG 3.24Å; C79-C154 VanDerWaalsContact SG-CA 3.59Å; C79-C154 WeakPolarHBondContact SG-CB 2.86Å; C79-C154 CovalentContact SG-SG 2.04Å; C79-C154 PolarHBondContact SG-SG 3.28Å; C79-F157 WeakPolarHBondContact O-CD2 3.46Å; C79-F157 WeakPolarHBondContact O-CE2 3.5Å
80	R	94	Very high	96.8	Very high	85 Å²	85	54.8 Å²	54.8	32%	0.321	29%	0.285	S	S	.	.			trans	-128.7	158.6	-179.3	70.4	171.6	179.1	83.3	-2	111.4	Q78 H83 W101 F157	Q78-R80 HydrophobicContact CB-CG 3.97Å; Q78-R80 PolarHBondContact O-N 3.47Å; Q78-R80 VanDerWaalsContact O-N 3.12Å; R80-H83 PolarHBondContact NH1-O 3.15Å; R80-H83 PolarHBondContact NH2-O 3.35Å; R80-H83 VanDerWaalsContact NH2-O 3.16Å; R80-W101 WeakPolarHBondContact O-CZ2 3.4Å; R80-W101 PolarHBondContact O-NE1 2.91Å; R80-W101 VanDerWaalsContact O-NE1 3.09Å; R80-F157 VanDerWaalsContact C-CZ 3.45Å
81	V	95	Very high	96.8	Very high	88 Å²	88	50 Å²	50	53%	0.533	27%	0.268	S	S	.	.	S	Bend	trans	-77.5	138	177.5	-179.1	0	0	0	0	110.6	W101 F157 Y159	V81-W101 HydrophobicContact CB-CH2 4.06Å; V81-W101 HydrophobicContact CB-CZ2 4.3Å; V81-W101 HydrophobicContact CB-CZ3 4.49Å; V81-W101 HydrophobicContact CG1-CE3 4.45Å; V81-W101 HydrophobicContact CG1-CH2 3.94Å; V81-W101 HydrophobicContact CG1-CZ3 3.88Å; V81-W101 HydrophobicContact CG2-CH2 3.8Å; V81-W101 HydrophobicContact CG2-CZ2 4.23Å; V81-F157 HydrophobicContact CB-CZ 4.48Å; V81-F157 HydrophobicContact CG2-CE2 4.08Å; V81-F157 HydrophobicContact CG2-CZ 3.55Å; V81-Y159 HydrophobicContact CG2-CE2 4.27Å
82	G	93.9	Very high	96.8	Very high	20 Å²	20	54.3 Å²	54.3	21%	0.206	30%	0.3	C	S	.	.	S	Bend	trans	94.8	-170	165.3	0	0	0	0	0	114.9
83	H	97.3	Very high	96.7	Very high	89 Å²	89	59.5 Å²	59.5	41%	0.412	33%	0.325	S	S	.	.			trans	-86	160.6	-170.1	-60.4	-66.1	0	0	0	113.4	R80 Q99	R80-H83 PolarHBondContact NH1-O 3.15Å; R80-H83 PolarHBondContact NH2-O 3.35Å; R80-H83 VanDerWaalsContact NH2-O 3.16Å; H83-Q99 VanDerWaalsContact CB-OE1 3.24Å; H83-Q99 PolarHBondContact CE1-O 2.62Å; H83-Q99 VanDerWaalsContact CE1-O 3.27Å; H83-Q99 PolarHBondContact ND1-OE1 2.82Å
84	D	97.6	Very high	96.7	Very high	18 Å²	18	59.4 Å²	59.4	10%	0.096	32%	0.324	C	S	.	.			trans	-89.9	180	158.3	61.1	-1.3	0	0	0	111.1	L75 D88 Q99	L75-D84 HydrophobicContact CD1-CB 4.15Å; L75-D84 HydrophobicContact CD2-CB 4.12Å; D84-D88 HydrophobicContact CB-CB 3.91Å; D84-Q99 PolarHBondContact OD1-NE2 3.23Å; D84-Q99 PolarHBondContact OD1-OE1 2.04Å
85	T	98	Very high	96.7	Very high	77 Å²	77	63.5 Å²	63.5	47%	0.472	34%	0.341	S	S	.	.			trans	-77.3	158.3	179.6	75.1	0	0	0	0	111.2	A87 D88 R89	T85-A87 PolarHBondContact O-N 3.4Å; T85-A87 PolarHBondContact OG1-N 3.12Å; T85-D88 WeakPolarHBondContact CB-OD2 3.39Å; T85-D88 WeakPolarHBondContact CG2-OD2 3.5Å; T85-D88 PolarHBondContact N-OD2 3.29Å; T85-D88 VanDerWaalsContact N-OD2 3.08Å; T85-D88 WeakPolarHBondContact O-CB 3.34Å; T85-D88 PolarHBondContact O-N 2.89Å; T85-D88 PolarHBondContact OG1-N 3.38Å; T85-D88 PolarHBondContact OG1-OD2 2.01Å; T85-R89 WeakPolarHBondContact O-CG 3.42Å; T85-R89 PolarHBondContact O-N 3.38Å
86	N	96.3	Very high	96.7	Very high	77 Å²	77	66.7 Å²	66.7	41%	0.412	35%	0.354	S	S	.	.	H	α-helix	trans	-52.5	-37.7	171.8	-81.5	-39	0	0	0	112.8	D88 R89 Q90	N86-D88 VanDerWaalsContact C-N 3.34Å; N86-R89 WeakPolarHBondContact O-CG 3.23Å; N86-R89 VanDerWaalsContact OD1-CZ 3.22Å; N86-R89 PolarHBondContact OD1-NE 2.98Å; N86-R89 VanDerWaalsContact OD1-NE 3.09Å; N86-R89 PolarHBondContact OD1-NH2 3.18Å; N86-Q90 VanDerWaalsContact O-CG 3.29Å; N86-Q90 WeakPolarHBondContact O-CG 3.27Å; N86-Q90 PolarHBondContact O-N 3.06Å
87	A	97.6	Very high	96.7	Very high	64 Å²	64	66.7 Å²	66.7	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-34.7	179.5	0	0	0	0	0	112.1	T85	T85-A87 PolarHBondContact O-N 3.4Å; T85-A87 PolarHBondContact OG1-N 3.12Å
88	D	97.8	Very high	96.8	Very high	80 Å²	80	63.9 Å²	63.9	43%	0.428	34%	0.339	S	S	.	.	H	α-helix	trans	-67.3	-38.2	-180	-62.6	-44.4	0	0	0	111.8	K71 D84 T85 N86	K71-D88 VanDerWaalsContact CD-O 3.26Å; K71-D88 WeakPolarHBondContact CD-O 3.48Å; K71-D88 VanDerWaalsContact CE-O 3.32Å; K71-D88 WeakPolarHBondContact CE-O 3.13Å; K71-D88 PolarHBondContact NZ-O 2.82Å; D84-D88 HydrophobicContact CB-CB 3.91Å; T85-D88 WeakPolarHBondContact CB-OD2 3.39Å; T85-D88 WeakPolarHBondContact CG2-OD2 3.5Å; T85-D88 PolarHBondContact N-OD2 3.29Å; T85-D88 VanDerWaalsContact N-OD2 3.08Å; T85-D88 WeakPolarHBondContact O-CB 3.34Å; T85-D88 PolarHBondContact O-N 2.89Å; T85-D88 PolarHBondContact OG1-N 3.38Å; T85-D88 PolarHBondContact OG1-OD2 2.01Å; N86-D88 VanDerWaalsContact C-N 3.34Å
89	R	96.8	Very high	97	Very high	25 Å²	25	60.1 Å²	60.1	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-89.9	-8.6	-176.8	62.3	-171	-177.5	-174.8	12	115.9	T85 N86 V97	T85-R89 WeakPolarHBondContact O-CG 3.42Å; T85-R89 PolarHBondContact O-N 3.38Å; N86-R89 WeakPolarHBondContact O-CG 3.23Å; N86-R89 VanDerWaalsContact OD1-CZ 3.22Å; N86-R89 PolarHBondContact OD1-NE 2.98Å; N86-R89 VanDerWaalsContact OD1-NE 3.09Å; N86-R89 PolarHBondContact OD1-NH2 3.18Å; R89-V97 HydrophobicContact CB-CB 4.34Å; R89-V97 HydrophobicContact CB-CG1 4.09Å; R89-V97 WeakPolarHBondContact CD-O 3.2Å; R89-V97 HydrophobicContact CG-CB 4.02Å; R89-V97 HydrophobicContact CG-CG1 4.17Å; R89-V97 PolarHBondContact NE-O 3.04Å; R89-V97 PolarHBondContact NH2-O 2.78Å; R89-V97 WeakPolarHBondContact O-CG2 3.14Å
90	Q	97.4	Very high	97.2	Very high	84 Å²	84	58.7 Å²	58.7	39%	0.393	31%	0.312	S	S	.	.			trans	-61	143.2	176.1	-88.3	169.8	3.6	0	0	112.6	K71 N86 Q95	K71-Q90 VanDerWaalsContact CE-O 3.23Å; K71-Q90 WeakPolarHBondContact CE-O 3.38Å; N86-Q90 VanDerWaalsContact O-CG 3.29Å; N86-Q90 WeakPolarHBondContact O-CG 3.27Å; N86-Q90 PolarHBondContact O-N 3.06Å; Q90-Q95 VanDerWaalsContact CD-O 3.28Å; Q90-Q95 WeakPolarHBondContact CG-O 3.39Å; Q90-Q95 PolarHBondContact NE2-O 3.2Å
91	I	98	Very high	97.4	Very high	13 Å²	13	56 Å²	56	7%	0.067	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-129.9	162.1	171.6	69.2	161.3	0	0	0	109.5	E67 L68 K71 E93 F94	E67-I91 HydrophobicContact CB-CB 4.13Å; E67-I91 HydrophobicContact CB-CD1 3.79Å; E67-I91 HydrophobicContact CB-CG2 3.85Å; L68-I91 HydrophobicContact CD2-CD1 3.74Å; L68-I91 HydrophobicContact CD2-CG1 3.95Å; L68-I91 HydrophobicContact CD2-CG2 4.12Å; L68-I91 HydrophobicContact CG-CD1 3.88Å; K71-I91 HydrophobicContact CG-CG2 3.82Å; I91-E93 HydrophobicContact CD1-CB 4.17Å; I91-E93 HydrophobicContact CG1-CB 4.39Å; I91-E93 PolarHBondContact O-N 3.26Å; I91-E93 VanDerWaalsContact O-N 3.07Å; I91-F94 HydrophobicContact CD1-CD2 3.68Å; I91-F94 HydrophobicContact CD1-CE2 4.17Å; I91-F94 HydrophobicContact CG1-CB 4.17Å; I91-F94 HydrophobicContact CG1-CD2 3.86Å; I91-F94 HydrophobicContact CG1-CG 4.45Å; I91-F94 PolarHBondContact N-O 3.26Å; I91-F94 CarbonylContact O-C 3.6Å; I91-F94 PolarHBondContact O-N 3.47Å; I91-F94 VanDerWaalsContact O-O 3.09Å
92	P	97.2	Very high	97.5	Very high	133 Å²	133	52 Å²	52	86%	0.864	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.4	-177.4	-29.2	36.6	0	0	0	114.9
93	E	97.8	Very high	97.6	Very high	110 Å²	110	51.5 Å²	51.5	51%	0.514	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-28.3	179.7	-164.9	175.7	-179.5	0	0	113.3	K63 N65 I91	K63-E93 IonicContact NZ-OE1 2.73Å; N65-E93 PolarHBondContact ND2-OE2 2.79Å; N65-E93 VanDerWaalsContact ND2-OE2 3.12Å; I91-E93 HydrophobicContact CD1-CB 4.17Å; I91-E93 HydrophobicContact CG1-CB 4.39Å; I91-E93 PolarHBondContact O-N 3.26Å; I91-E93 VanDerWaalsContact O-N 3.07Å
94	F	98	Very high	97.6	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.088	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-134.6	108.2	-172.6	-54.4	-59.5	0	0	0	112.1	L68 I91 Y96 V97 D146 G168 P169	L68-F94 HydrophobicContact CD1-CD2 4.34Å; L68-F94 HydrophobicContact CD1-CE2 4.33Å; L68-F94 HydrophobicContact CD2-CD2 4.27Å; I91-F94 HydrophobicContact CD1-CD2 3.68Å; I91-F94 HydrophobicContact CD1-CE2 4.17Å; I91-F94 HydrophobicContact CG1-CB 4.17Å; I91-F94 HydrophobicContact CG1-CD2 3.86Å; I91-F94 HydrophobicContact CG1-CG 4.45Å; I91-F94 PolarHBondContact N-O 3.26Å; I91-F94 CarbonylContact O-C 3.6Å; I91-F94 PolarHBondContact O-N 3.47Å; I91-F94 VanDerWaalsContact O-O 3.09Å; F94-Y96 VanDerWaalsContact C-N 3.32Å; F94-V97 HydrophobicContact CB-CG2 3.71Å; F94-D146 HydrophobicContact CE2-CB 3.72Å; F94-D146 HydrophobicContact CZ-CB 3.91Å; F94-D146 WeakPolarHBondContact CZ-OD2 3.33Å; F94-G168 VanDerWaalsContact CD2-CA 3.48Å; F94-P169 HydrophobicContact CD1-CB 4.15Å
95	Q	96	Very high	97.5	Very high	170 Å²	170	51.5 Å²	51.5	79%	0.794	28%	0.281	S	S	*	.	S	Bend	trans	-71.5	-24.6	174.5	-70.4	-167.6	-24.1	0	0	113.5	Q90	Q90-Q95 VanDerWaalsContact CD-O 3.28Å; Q90-Q95 WeakPolarHBondContact CG-O 3.39Å; Q90-Q95 PolarHBondContact NE2-O 3.2Å
96	Y	98	Very high	97.4	Very high	67 Å²	67	50.6 Å²	50.6	26%	0.263	27%	0.273	S	S	.	.	S	Bend	trans	-124.5	121.5	171.6	176.7	-107	0	0	0	108.1	F94 G170 G171 Y173	F94-Y96 VanDerWaalsContact C-N 3.32Å; Y96-G170 WeakPolarHBondContact CD1-O 3.28Å; Y96-G170 VanDerWaalsContact CE1-C 3.4Å; Y96-G170 WeakPolarHBondContact CE1-O 3.47Å; Y96-G170 PolarHBondContact O-N 2.82Å; Y96-G171 VanDerWaalsContact CE1-O 3.24Å; Y96-G171 WeakPolarHBondContact CE1-O 3.46Å; Y96-G171 PolarHBondContact OH-O 2.45Å; Y96-G171 VanDerWaalsContact OH-O 3.14Å; Y96-Y173 HydrophobicContact CD1-CE1 4.44Å; Y96-Y173 HydrophobicContact CD1-CE2 4.03Å; Y96-Y173 AromaticContact CD1-CZ 3.66Å; Y96-Y173 VanDerWaalsContact CD1-OH 3.22Å; Y96-Y173 WeakPolarHBondContact CD1-OH 3.48Å; Y96-Y173 HydrophobicContact CE1-CE1 4.48Å; Y96-Y173 HydrophobicContact CE1-CE2 4.07Å; Y96-Y173 AromaticContact CE1-CZ 3.93Å
97	V	98.6	Very high	97.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.			trans	-119.5	125	-178.3	168.2	0	0	0	0	107.2	L68 R89 F94 N166 Y167	L68-V97 HydrophobicContact CD2-CB 4.49Å; L68-V97 HydrophobicContact CD2-CG1 3.83Å; L68-V97 HydrophobicContact CD2-CG2 3.77Å; R89-V97 HydrophobicContact CB-CB 4.34Å; R89-V97 HydrophobicContact CB-CG1 4.09Å; R89-V97 WeakPolarHBondContact CD-O 3.2Å; R89-V97 HydrophobicContact CG-CB 4.02Å; R89-V97 HydrophobicContact CG-CG1 4.17Å; R89-V97 PolarHBondContact NE-O 3.04Å; R89-V97 PolarHBondContact NH2-O 2.78Å; R89-V97 WeakPolarHBondContact O-CG2 3.14Å; F94-V97 HydrophobicContact CB-CG2 3.71Å; V97-N166 HydrophobicContact CG1-CB 3.66Å; V97-Y167 CarbonylContact C-O 3.49Å; V97-Y167 VanDerWaalsContact CA-O 3.27Å; V97-Y167 WeakPolarHBondContact CA-O 3.35Å
98	G	98.5	Very high	97.5	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	163.3	172.8	0	0	0	0	0	110.3	N166 Y167	G98-N166 CarbonylContact O-C 3.59Å; G98-N166 WeakPolarHBondContact O-CA 3.21Å; G98-Y167 PolarHBondContact N-O 3.11Å; G98-Y167 PolarHBondContact O-N 3.14Å
99	Q	98.6	Very high	97.5	Very high	11 Å²	11	48.6 Å²	48.6	5%	0.051	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.2	178.8	-172.8	175.7	85.7	0	0	111.7	L75 H83 D84 V164 C165 N166	L75-Q99 VanDerWaalsContact CD2-OE1 3.31Å; H83-Q99 VanDerWaalsContact CB-OE1 3.24Å; H83-Q99 PolarHBondContact CE1-O 2.62Å; H83-Q99 VanDerWaalsContact CE1-O 3.27Å; H83-Q99 PolarHBondContact ND1-OE1 2.82Å; D84-Q99 PolarHBondContact OD1-NE2 3.23Å; D84-Q99 PolarHBondContact OD1-OE1 2.04Å; Q99-V164 HydrophobicContact CG-CG1 3.94Å; Q99-C165 CarbonylContact C-O 3.45Å; Q99-C165 VanDerWaalsContact CA-O 3.26Å; Q99-C165 WeakPolarHBondContact CA-O 3.04Å; Q99-N166 WeakPolarHBondContact CG-OD1 3.47Å; Q99-N166 PolarHBondContact NE2-OD1 2.79Å
100	N	98.6	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.4	164.7	-69	0.1	0	0	0	108.9	W114 H135 V164 C165 Y167	N100-W114 HydrophobicContact CB-CD2 3.77Å; N100-W114 HydrophobicContact CB-CE3 4.11Å; N100-W114 HydrophobicContact CB-CG 4.27Å; N100-W114 HydrophobicContact CB-CH2 4.05Å; N100-W114 HydrophobicContact CB-CZ2 3.72Å; N100-W114 HydrophobicContact CB-CZ3 4.24Å; N100-H135 PolarHBondContact ND2-O 3.23Å; N100-H135 WeakPolarHBondContact OD1-CA 3.4Å; N100-H135 PolarHBondContact OD1-CD2 2.83Å; N100-V164 WeakPolarHBondContact O-CA 3.33Å; N100-C165 PolarHBondContact N-O 2.85Å; N100-C165 PolarHBondContact O-N 2.64Å; N100-Y167 HydrophobicContact CB-CE2 3.78Å; N100-Y167 PolarHBondContact ND2-OH 3.14Å
101	W	97.9	Very high	97.7	Very high	27 Å²	27	43.6 Å²	43.6	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.1	176.2	179.8	100.7	0	0	0	109.4	R80 V81 G103 W114 F157 Y159 S162 I163	R80-W101 WeakPolarHBondContact O-CZ2 3.4Å; R80-W101 PolarHBondContact O-NE1 2.91Å; R80-W101 VanDerWaalsContact O-NE1 3.09Å; V81-W101 HydrophobicContact CB-CH2 4.06Å; V81-W101 HydrophobicContact CB-CZ2 4.3Å; V81-W101 HydrophobicContact CB-CZ3 4.49Å; V81-W101 HydrophobicContact CG1-CE3 4.45Å; V81-W101 HydrophobicContact CG1-CH2 3.94Å; V81-W101 HydrophobicContact CG1-CZ3 3.88Å; V81-W101 HydrophobicContact CG2-CH2 3.8Å; V81-W101 HydrophobicContact CG2-CZ2 4.23Å; W101-G103 VanDerWaalsContact CH2-N 3.35Å; W101-W114 VanDerWaalsContact C-NE1 3.31Å; W101-W114 PolarHBondContact O-NE1 2.9Å; W101-F157 AromaticContact CH2-CE1 3.99Å; W101-F157 HydrophobicContact CH2-CE1 3.99Å; W101-F157 HydrophobicContact CH2-CZ 4.11Å; W101-F157 AromaticContact CZ2-CE1 3.6Å; W101-F157 HydrophobicContact CZ2-CE1 3.6Å; W101-F157 AromaticContact CZ2-CZ 3.74Å; W101-F157 HydrophobicContact CZ2-CZ 3.74Å; W101-Y159 HydrophobicContact CH2-CD2 4.29Å; W101-Y159 HydrophobicContact CH2-CE2 4.08Å; W101-S162 PolarHBondContact NE1-OG 3.23Å; W101-I163 CarbonylContact C-O 3.41Å; W101-I163 WeakPolarHBondContact CA-O 3.34Å
102	A	97.5	Very high	97.7	Very high	5 Å²	5	47 Å²	47	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141	171	0	0	0	0	0	110.4	W114 I163	A102-W114 HydrophobicContact CB-CZ2 3.68Å; A102-I163 PolarHBondContact N-O 2.89Å; A102-I163 PolarHBondContact O-N 2.99Å
103	G	96.6	Very high	97.7	Very high	9 Å²	9	45.3 Å²	45.3	9%	0.093	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.8	156.5	0	0	0	0	0	109	W101 Y159 L161	W101-G103 VanDerWaalsContact CH2-N 3.35Å; G103-Y159 VanDerWaalsContact CA-CB 3.48Å; G103-L161 VanDerWaalsContact CA-O 3.31Å; G103-L161 WeakPolarHBondContact CA-O 3.48Å
104	A	96.7	Very high	97.7	Very high	6 Å²	6	40.1 Å²	40.1	5%	0.05	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.1	177.3	0	0	0	0	0	112.4	D106 T109 Y159 L161 I163	A104-D106 PolarHBondContact O-N 3.06Å; A104-T109 HydrophobicContact CB-CG2 4.12Å; A104-Y159 CarbonylContact C-O 3.55Å; A104-L161 PolarHBondContact N-O 3.07Å; A104-L161 WeakPolarHBondContact O-CA 3.45Å; A104-L161 WeakPolarHBondContact O-CB 3.3Å; A104-L161 WeakPolarHBondContact O-CG 3.49Å; A104-L161 PolarHBondContact O-N 2.64Å; A104-I163 HydrophobicContact CB-CD1 4.04Å
105	T	95.3	Very high	97.8	Very high	102 Å²	102	40.1 Å²	40.1	63%	0.626	20%	0.203	S	C	*	.	S	Bend	trans	-66.2	-27.7	178.9	47.2	0	0	0	0	113.2	Y159	T105-Y159 PolarHBondContact N-O 3.28Å
106	D	96.2	Very high	97.8	Very high	57 Å²	57	34.5 Å²	34.5	31%	0.305	18%	0.179	S	C	.	.	S	Bend	trans	-156.6	165.4	-177.5	64.3	82.5	0	0	0	109.8	A104 K108 T109 G110	A104-D106 PolarHBondContact O-N 3.06Å; D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 2.8Å; D106-K108 WeakPolarHBondContact OD1-CA 3.27Å; D106-K108 WeakPolarHBondContact OD1-CB 3.35Å; D106-K108 PolarHBondContact OD1-N 3.37Å; D106-T109 PolarHBondContact O-N 3.29Å; D106-T109 PolarHBondContact OD1-N 2.74Å; D106-T109 PolarHBondContact OD1-OG1 2.94Å; D106-T109 PolarHBondContact OD2-OG1 3.12Å; D106-G110 PolarHBondContact O-N 2.99Å; D106-G110 VanDerWaalsContact O-N 3.12Å
107	I	98	Very high	97.8	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-28	-176	58	155.8	0	0	0	113.8	M30 E33 L34 F111 V151 I163	M30-I107 HydrophobicContact CE-CG2 4.43Å; M30-I107 HydrophobicContact CG-CD1 3.62Å; M30-I107 HydrophobicContact CG-CG1 4.32Å; M30-I107 HydrophobicContact CG-CG2 3.98Å; M30-I107 HydrophobicContact SD-CG2 3.72Å; E33-I107 HydrophobicContact CB-CD1 3.92Å; E33-I107 HydrophobicContact CG-CD1 3.78Å; E33-I107 WeakPolarHBondContact OE2-CD1 3.46Å; L34-I107 HydrophobicContact CD2-CB 4.11Å; L34-I107 HydrophobicContact CD2-CD1 4.19Å; L34-I107 HydrophobicContact CD2-CG2 4.46Å; L34-I107 HydrophobicContact CG-CD1 3.89Å; I107-F111 WeakPolarHBondContact O-CB 3.17Å; I107-F111 PolarHBondContact O-N 2.85Å; I107-V151 HydrophobicContact CG2-CG1 4.16Å; I107-V151 HydrophobicContact CG2-CG2 4.03Å; I107-I163 HydrophobicContact CG2-CD1 4.31Å; I107-I163 HydrophobicContact CG2-CG1 4.41Å
108	K	98.4	Very high	97.8	Very high	109 Å²	109	34.4 Å²	34.4	47%	0.474	18%	0.18	S	C	.	.	H	α-helix	trans	-73.2	-44.7	-180	-66.1	-178.3	179.5	175.8	0	110.5	E33 L37 D106 G110 F111 Q112	E33-K108 WeakPolarHBondContact OE1-CE 3.07Å; E33-K108 IonicContact OE1-NZ 3.68Å; E33-K108 PolarHBondContact OE1-NZ 3.4Å; L37-K108 HydrophobicContact CD1-CG 4.37Å; D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 2.8Å; D106-K108 WeakPolarHBondContact OD1-CA 3.27Å; D106-K108 WeakPolarHBondContact OD1-CB 3.35Å; D106-K108 PolarHBondContact OD1-N 3.37Å; K108-G110 VanDerWaalsContact C-N 3.35Å; K108-F111 PolarHBondContact O-N 2.81Å; K108-Q112 VanDerWaalsContact O-CB 3.3Å; K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.02Å
109	T	98.1	Very high	97.7	Very high	64 Å²	64	39.6 Å²	39.6	39%	0.393	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-48.2	174.5	-60.7	0	0	0	0	110.1	A104 D106 F111 Q112 L113	A104-T109 HydrophobicContact CB-CG2 4.12Å; D106-T109 PolarHBondContact O-N 3.29Å; D106-T109 PolarHBondContact OD1-N 2.74Å; D106-T109 PolarHBondContact OD1-OG1 2.94Å; D106-T109 PolarHBondContact OD2-OG1 3.12Å; T109-F111 PolarHBondContact O-N 2.83Å; T109-Q112 PolarHBondContact O-N 3.33Å; T109-L113 WeakPolarHBondContact O-CG 3.36Å; T109-L113 PolarHBondContact O-N 3.12Å; T109-L113 VanDerWaalsContact O-N 3.13Å
110	G	98	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-46	176.9	0	0	0	0	0	113.2	D106 K108 L113 W114	D106-G110 PolarHBondContact O-N 2.99Å; D106-G110 VanDerWaalsContact O-N 3.12Å; K108-G110 VanDerWaalsContact C-N 3.35Å; G110-L113 WeakPolarHBondContact O-CB 3.42Å; G110-L113 PolarHBondContact O-N 3.06Å; G110-W114 PolarHBondContact O-N 3.28Å
111	F	98.7	Very high	97.5	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-40.6	177.6	-172.8	-85.8	0	0	0	112.3	L37 H38 A41 I107 K108 T109 L113 W114 L115 L139	L37-F111 HydrophobicContact CB-CD1 3.83Å; L37-F111 HydrophobicContact CB-CD2 3.9Å; L37-F111 HydrophobicContact CB-CE1 3.78Å; L37-F111 HydrophobicContact CB-CE2 3.84Å; L37-F111 HydrophobicContact CB-CG 3.9Å; L37-F111 HydrophobicContact CB-CZ 3.8Å; L37-F111 HydrophobicContact CD1-CB 4.02Å; L37-F111 HydrophobicContact CD1-CD1 4.35Å; L37-F111 HydrophobicContact CD1-CD2 4.42Å; L37-F111 HydrophobicContact CD1-CG 4Å; L37-F111 HydrophobicContact CD2-CD1 4.27Å; L37-F111 HydrophobicContact CG-CD1 4.38Å; L37-F111 HydrophobicContact CG-CG 4.43Å; L37-F111 WeakPolarHBondContact O-CE1 3.1Å; L37-F111 WeakPolarHBondContact O-CZ 3.28Å; H38-F111 HydrophobicContact CB-CE2 4.48Å; H38-F111 AromaticContact CD2-CE2 3.93Å; H38-F111 AromaticContact CE1-CE2 3.6Å; H38-F111 AromaticContact CG-CE2 3.78Å; H38-F111 AromaticContact ND1-CE2 3.56Å; H38-F111 AromaticContact NE2-CE2 3.82Å; A41-F111 HydrophobicContact CB-CE1 4.2Å; A41-F111 HydrophobicContact CB-CZ 4Å; I107-F111 WeakPolarHBondContact O-CB 3.17Å; I107-F111 PolarHBondContact O-N 2.85Å; K108-F111 PolarHBondContact O-N 2.81Å; T109-F111 PolarHBondContact O-N 2.83Å; F111-L113 VanDerWaalsContact C-N 3.29Å; F111-L113 PolarHBondContact O-N 2.93Å; F111-W114 HydrophobicContact CB-CE3 4.48Å; F111-W114 AromaticContact CD2-CE3 3.95Å; F111-W114 HydrophobicContact CD2-CE3 3.95Å; F111-W114 HydrophobicContact CD2-CZ3 4.18Å; F111-W114 HydrophobicContact CG-CE3 4.49Å; F111-W114 WeakPolarHBondContact O-CB 3.09Å; F111-W114 PolarHBondContact O-N 3.35Å; F111-W114 VanDerWaalsContact O-N 3.15Å; F111-L115 HydrophobicContact CE1-CB 4.36Å; F111-L115 HydrophobicContact CE1-CD2 4.42Å; F111-L115 PolarHBondContact O-N 3.13Å; F111-L139 HydrophobicContact CE1-CD1 4.49Å; F111-L139 HydrophobicContact CE2-CD1 4.33Å; F111-L139 HydrophobicContact CE2-CD2 3.68Å; F111-L139 HydrophobicContact CZ-CD1 4.03Å; F111-L139 HydrophobicContact CZ-CD2 4Å
112	Q	98.4	Very high	97.4	Very high	85 Å²	85	42.7 Å²	42.7	40%	0.397	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-34.4	179.2	-170.4	61.9	47.9	0	0	111.8	K108 T109 W114 L115 D116	K108-Q112 VanDerWaalsContact O-CB 3.3Å; K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.02Å; T109-Q112 PolarHBondContact O-N 3.33Å; Q112-W114 VanDerWaalsContact C-N 3.32Å; Q112-W114 PolarHBondContact O-N 2.92Å; Q112-L115 PolarHBondContact O-N 2.93Å; Q112-D116 PolarHBondContact NE2-OD1 2.93Å; Q112-D116 VanDerWaalsContact O-CB 3.26Å; Q112-D116 WeakPolarHBondContact O-CB 3.46Å; Q112-D116 PolarHBondContact O-N 3.02Å
113	L	97.8	Very high	97.3	Very high	96 Å²	96	43.3 Å²	43.3	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-59.1	-43.6	172.8	-68.5	169.9	0	0	0	111.4	T109 G110 F111	T109-L113 WeakPolarHBondContact O-CG 3.36Å; T109-L113 PolarHBondContact O-N 3.12Å; T109-L113 VanDerWaalsContact O-N 3.13Å; G110-L113 WeakPolarHBondContact O-CB 3.42Å; G110-L113 PolarHBondContact O-N 3.06Å; F111-L113 VanDerWaalsContact C-N 3.29Å; F111-L113 PolarHBondContact O-N 2.93Å
114	W	98.4	Very high	97.1	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-39	174.9	-59.9	-29.1	0	0	0	112.9	N100 W101 A102 G110 F111 Q112 E117 H135 Y136 L139 I163 C165	N100-W114 HydrophobicContact CB-CD2 3.77Å; N100-W114 HydrophobicContact CB-CE3 4.11Å; N100-W114 HydrophobicContact CB-CG 4.27Å; N100-W114 HydrophobicContact CB-CH2 4.05Å; N100-W114 HydrophobicContact CB-CZ2 3.72Å; N100-W114 HydrophobicContact CB-CZ3 4.24Å; W101-W114 VanDerWaalsContact C-NE1 3.31Å; W101-W114 PolarHBondContact O-NE1 2.9Å; A102-W114 HydrophobicContact CB-CZ2 3.68Å; G110-W114 PolarHBondContact O-N 3.28Å; F111-W114 HydrophobicContact CB-CE3 4.48Å; F111-W114 AromaticContact CD2-CE3 3.95Å; F111-W114 HydrophobicContact CD2-CE3 3.95Å; F111-W114 HydrophobicContact CD2-CZ3 4.18Å; F111-W114 HydrophobicContact CG-CE3 4.49Å; F111-W114 WeakPolarHBondContact O-CB 3.09Å; F111-W114 PolarHBondContact O-N 3.35Å; F111-W114 VanDerWaalsContact O-N 3.15Å; Q112-W114 VanDerWaalsContact C-N 3.32Å; Q112-W114 PolarHBondContact O-N 2.92Å; W114-E117 WeakPolarHBondContact O-CB 3.27Å; W114-H135 HydrophobicContact CB-CB 3.67Å; W114-H135 AromaticContact CD1-CD2 3.91Å; W114-H135 AromaticContact CD1-CG 3.41Å; W114-H135 VanDerWaalsContact CD1-CG 3.41Å; W114-H135 AromaticContact CD1-ND1 3.61Å; W114-H135 HydrophobicContact CG-CB 3.74Å; W114-Y136 WeakPolarHBondContact O-CA 3.38Å; W114-Y136 WeakPolarHBondContact O-CB 3.24Å; W114-Y136 PolarHBondContact O-N 3.29Å; W114-L139 HydrophobicContact CB-CD1 3.84Å; W114-I163 HydrophobicContact CH2-CB 4.47Å; W114-I163 HydrophobicContact CH2-CG2 3.68Å; W114-I163 HydrophobicContact CZ2-CG2 4.28Å; W114-I163 HydrophobicContact CZ3-CG2 4.5Å; W114-C165 HydrophobicContact CH2-CB 4.12Å; W114-C165 HydrophobicContact CZ3-CB 4.22Å
115	L	98.5	Very high	97	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-48.4	179.6	-179.6	56.1	0	0	0	110.5	A41 L50 F111 Q112 E117 Y118 Y136 L139	A41-L115 HydrophobicContact CB-CD1 3.97Å; L50-L115 HydrophobicContact CD1-CD1 3.97Å; F111-L115 HydrophobicContact CE1-CB 4.36Å; F111-L115 HydrophobicContact CE1-CD2 4.42Å; F111-L115 PolarHBondContact O-N 3.13Å; Q112-L115 PolarHBondContact O-N 2.93Å; L115-E117 PolarHBondContact O-N 3.22Å; L115-Y118 WeakPolarHBondContact O-CB 3.48Å; L115-Y118 WeakPolarHBondContact O-CD1 3.19Å; L115-Y118 PolarHBondContact O-N 2.84Å; L115-Y136 HydrophobicContact CD1-CD2 4.26Å; L115-Y136 HydrophobicContact CD1-CE2 4.48Å; L115-L139 HydrophobicContact CB-CD1 4.32Å
116	D	97.9	Very high	96.9	Very high	53 Å²	53	56 Å²	56	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-19.7	-174.9	-90.8	-6.2	0	0	0	114.7	Q112 Y118 K119	Q112-D116 PolarHBondContact NE2-OD1 2.93Å; Q112-D116 VanDerWaalsContact O-CB 3.26Å; Q112-D116 WeakPolarHBondContact O-CB 3.46Å; Q112-D116 PolarHBondContact O-N 3.02Å; D116-Y118 PolarHBondContact O-N 2.83Å; D116-K119 HydrophobicContact CB-CD 4.49Å; D116-K119 WeakPolarHBondContact O-CB 3.49Å; D116-K119 WeakPolarHBondContact O-CD 3.47Å; D116-K119 WeakPolarHBondContact O-CG 3.46Å; D116-K119 PolarHBondContact O-N 3.24Å; D116-K119 IonicContact OD1-NZ 3.61Å; D116-K119 PolarHBondContact OD1-NZ 3.03Å; D116-K119 IonicContact OD2-NZ 2.98Å; D116-K119 PolarHBondContact OD2-NZ 3.19Å
117	E	98.1	Very high	96.8	Very high	27 Å²	27	56.8 Å²	56.8	13%	0.126	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-54.7	-18.6	167.8	-83.9	-172.4	-170.8	0	0	113.9	W114 L115 K119 N120 Y121 Q132 C133 G134 H135 Y136	W114-E117 WeakPolarHBondContact O-CB 3.27Å; L115-E117 PolarHBondContact O-N 3.22Å; E117-K119 PolarHBondContact O-N 3.23Å; E117-K119 VanDerWaalsContact O-N 3.13Å; E117-N120 WeakPolarHBondContact O-CB 3.45Å; E117-N120 PolarHBondContact O-N 3.07Å; E117-Y121 PolarHBondContact O-N 3.39Å; E117-Q132 WeakPolarHBondContact CG-O 2.7Å; E117-C133 WeakPolarHBondContact OE2-CA 3.43Å; E117-G134 PolarHBondContact OE2-N 2.74Å; E117-H135 IonicContact OE1-CE1 3.37Å; E117-H135 IonicContact OE1-CG 3.47Å; E117-H135 IonicContact OE1-ND1 2.64Å; E117-H135 PolarHBondContact OE1-ND1 2.83Å; E117-H135 WeakPolarHBondContact OE2-CA 3.36Å; E117-H135 VanDerWaalsContact OE2-CB 3.23Å; E117-H135 WeakPolarHBondContact OE2-CB 3.33Å; E117-H135 IonicContact OE2-CG 3.71Å; E117-H135 PolarHBondContact OE2-N 2.84Å; E117-H135 IonicContact OE2-ND1 3.71Å; E117-Y136 PolarHBondContact OE2-N 3.33Å
118	Y	97.5	Very high	96.6	Very high	37 Å²	37	58.7 Å²	58.7	15%	0.145	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29.6	171.2	85.9	-98.3	0	0	0	112.6	L50 F51 Q53 L115 D116 N120 Y121 Y136	L50-Y118 HydrophobicContact CB-CD2 4Å; L50-Y118 HydrophobicContact CB-CE2 4.18Å; L50-Y118 HydrophobicContact CB-CG 4.33Å; L50-Y118 HydrophobicContact CD1-CD1 4.36Å; L50-Y118 HydrophobicContact CD1-CG 4.2Å; L50-Y118 HydrophobicContact CD2-CD1 4.32Å; L50-Y118 HydrophobicContact CD2-CE1 4.22Å; F51-Y118 WeakPolarHBondContact O-CE2 3.22Å; Q53-Y118 HydrophobicContact CG-CD2 4.12Å; Q53-Y118 PolarHBondContact NE2-O 2.82Å; L115-Y118 WeakPolarHBondContact O-CB 3.48Å; L115-Y118 WeakPolarHBondContact O-CD1 3.19Å; L115-Y118 PolarHBondContact O-N 2.84Å; D116-Y118 PolarHBondContact O-N 2.83Å; Y118-N120 PolarHBondContact O-N 3.31Å; Y118-Y121 PolarHBondContact O-N 2.72Å; Y118-Y136 VanDerWaalsContact CB-CE2 3.46Å
119	K	96.9	Very high	96.3	Very high	111 Å²	111	61.3 Å²	61.3	48%	0.483	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-66.6	-21.8	178.2	-63.1	162.5	178.5	157.8	0	111.9	D116 E117	D116-K119 HydrophobicContact CB-CD 4.49Å; D116-K119 WeakPolarHBondContact O-CB 3.49Å; D116-K119 WeakPolarHBondContact O-CD 3.47Å; D116-K119 WeakPolarHBondContact O-CG 3.46Å; D116-K119 PolarHBondContact O-N 3.24Å; D116-K119 IonicContact OD1-NZ 3.61Å; D116-K119 PolarHBondContact OD1-NZ 3.03Å; D116-K119 IonicContact OD2-NZ 2.98Å; D116-K119 PolarHBondContact OD2-NZ 3.19Å; E117-K119 PolarHBondContact O-N 3.23Å; E117-K119 VanDerWaalsContact O-N 3.13Å
120	N	96.6	Very high	95.7	Very high	34 Å²	34	65.3 Å²	65.3	18%	0.182	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-98.8	-12.6	179.5	-64.5	-33	0	0	0	112.9	E117 Y118 R129 Q132	E117-N120 WeakPolarHBondContact O-CB 3.45Å; E117-N120 PolarHBondContact O-N 3.07Å; Y118-N120 PolarHBondContact O-N 3.31Å; N120-R129 HydrophobicContact CB-CB 4.15Å; N120-R129 WeakPolarHBondContact O-CB 3.33Å; N120-R129 WeakPolarHBondContact O-CG 3.43Å; N120-R129 PolarHBondContact O-N 3.3Å; N120-Q132 VanDerWaalsContact CB-O 3.27Å; N120-Q132 WeakPolarHBondContact CB-O 3.35Å; N120-Q132 PolarHBondContact ND2-O 3.11Å
121	Y	97	Very high	95.1	Very high	16 Å²	16	68.2 Å²	68.2	6%	0.063	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	-178	-176.1	-115.7	0	0	0	112.2	Q53 E117 Y118 F123 T127 C133 Y136 T137 L178	Q53-Y121 PolarHBondContact NE2-O 3.45Å; E117-Y121 PolarHBondContact O-N 3.39Å; Y118-Y121 PolarHBondContact O-N 2.72Å; Y121-F123 HydrophobicContact CD1-CB 4.47Å; Y121-F123 VanDerWaalsContact CE1-CA 3.47Å; Y121-F123 HydrophobicContact CE1-CB 4.07Å; Y121-F123 HydrophobicContact CE1-CD2 4.02Å; Y121-F123 HydrophobicContact CE1-CG 4.39Å; Y121-T127 WeakPolarHBondContact CD2-O 3.44Å; Y121-C133 HydrophobicContact CD2-CB 4.39Å; Y121-C133 WeakPolarHBondContact CD2-SG 3.28Å; Y121-Y136 HydrophobicContact CD1-CD1 4.34Å; Y121-Y136 AromaticContact CD1-CE1 3.85Å; Y121-Y136 HydrophobicContact CD1-CE1 3.85Å; Y121-Y136 HydrophobicContact CG-CD1 4.32Å; Y121-Y136 HydrophobicContact CG-CE1 4.27Å; Y121-T137 HydrophobicContact CD1-CG2 4.43Å; Y121-T137 HydrophobicContact CD2-CG2 3.76Å; Y121-T137 HydrophobicContact CE1-CG2 4.46Å; Y121-T137 HydrophobicContact CE2-CG2 3.75Å; Y121-T137 HydrophobicContact CG-CG2 4.06Å; Y121-L178 HydrophobicContact CD1-CD1 3.76Å; Y121-L178 HydrophobicContact CE1-CD1 3.24Å; Y121-L178 HydrophobicContact CE1-CD2 4.28Å; Y121-L178 HydrophobicContact CE1-CG 3.62Å; Y121-L178 WeakPolarHBondContact OH-CG 3.45Å
122	D	95.4	Very high	94.7	Very high	54 Å²	54	73.1 Å²	73.1	29%	0.289	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.2	168.1	-177.8	-57.8	0	0	0	109.5	Y124 T125 R126 T127	D122-Y124 PolarHBondContact O-N 3.44Å; D122-Y124 PolarHBondContact OD1-N 3.23Å; D122-Y124 VanDerWaalsContact OD1-N 3.13Å; D122-T125 VanDerWaalsContact CB-OG1 3.24Å; D122-T125 WeakPolarHBondContact CB-OG1 3.32Å; D122-T125 WeakPolarHBondContact OD1-CB 3.26Å; D122-T125 WeakPolarHBondContact OD1-CG2 3.3Å; D122-T125 PolarHBondContact OD1-N 3.47Å; D122-T125 PolarHBondContact OD1-OG1 2.88Å; D122-R126 VanDerWaalsContact O-CA 3.24Å; D122-R126 WeakPolarHBondContact O-CA 3.44Å; D122-R126 PolarHBondContact O-N 3.32Å; D122-T127 PolarHBondContact N-O 2.9Å; D122-T127 PolarHBondContact O-N 3.49Å
123	F	95.1	Very high	94.6	Very high	18 Å²	18	69.1 Å²	69.1	8%	0.079	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-39.8	-173.9	-175	-83.5	0	0	0	113.8	P54 Y121 L178 Y179 T181	P54-F123 VanDerWaalsContact CD-CG 3.47Å; P54-F123 HydrophobicContact CG-CB 3.99Å; P54-F123 HydrophobicContact CG-CD1 3.4Å; P54-F123 HydrophobicContact CG-CD2 3.6Å; P54-F123 HydrophobicContact CG-CE1 3.69Å; P54-F123 HydrophobicContact CG-CE2 3.88Å; P54-F123 HydrophobicContact CG-CG 3.36Å; P54-F123 HydrophobicContact CG-CZ 3.93Å; Y121-F123 HydrophobicContact CD1-CB 4.47Å; Y121-F123 VanDerWaalsContact CE1-CA 3.47Å; Y121-F123 HydrophobicContact CE1-CB 4.07Å; Y121-F123 HydrophobicContact CE1-CD2 4.02Å; Y121-F123 HydrophobicContact CE1-CG 4.39Å; F123-L178 HydrophobicContact CE2-CB 4.28Å; F123-Y179 HydrophobicContact CD2-CE1 4.42Å; F123-Y179 HydrophobicContact CD2-CE2 4.25Å; F123-Y179 AromaticContact CD2-CZ 3.99Å; F123-Y179 HydrophobicContact CE2-CD1 4.3Å; F123-Y179 AromaticContact CE2-CD2 3.84Å; F123-Y179 HydrophobicContact CE2-CD2 3.84Å; F123-Y179 AromaticContact CE2-CE1 4Å; F123-Y179 HydrophobicContact CE2-CE1 4Å; F123-Y179 AromaticContact CE2-CE2 3.53Å; F123-Y179 HydrophobicContact CE2-CE2 3.53Å; F123-Y179 HydrophobicContact CE2-CG 4.23Å; F123-Y179 AromaticContact CE2-CZ 3.63Å; F123-Y179 HydrophobicContact CZ-CD2 4.19Å; F123-Y179 HydrophobicContact CZ-CE2 4.11Å; F123-Y179 WeakPolarHBondContact CZ-O 3.36Å; F123-T181 HydrophobicContact CD1-CG2 4.44Å; F123-T181 HydrophobicContact CE1-CG2 3.51Å; F123-T181 HydrophobicContact CE2-CG2 4.06Å; F123-T181 HydrophobicContact CZ-CG2 3.29Å
124	Y	92.6	Very high	94.6	Very high	173 Å²	173	66 Å²	66	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-39.5	-172.2	-62.6	-70.4	0	0	0	111.8	D122	D122-Y124 PolarHBondContact O-N 3.44Å; D122-Y124 PolarHBondContact OD1-N 3.23Å; D122-Y124 VanDerWaalsContact OD1-N 3.13Å
125	T	93.7	Very high	94.5	Very high	82 Å²	82	67.9 Å²	67.9	50%	0.503	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-17	175.9	65.6	0	0	0	0	112.7	D122 T127	D122-T125 VanDerWaalsContact CB-OG1 3.24Å; D122-T125 WeakPolarHBondContact CB-OG1 3.32Å; D122-T125 WeakPolarHBondContact OD1-CB 3.26Å; D122-T125 WeakPolarHBondContact OD1-CG2 3.3Å; D122-T125 PolarHBondContact OD1-N 3.47Å; D122-T125 PolarHBondContact OD1-OG1 2.88Å; T125-T127 VanDerWaalsContact C-N 3.32Å; T125-T127 PolarHBondContact OG1-OG1 2.89Å
126	R	93.8	Very high	94.5	Very high	127 Å²	127	67 Å²	67	48%	0.479	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	40	-176.9	-51.9	173.3	-168.1	152.3	10.7	112.1	D122 G175	D122-R126 VanDerWaalsContact O-CA 3.24Å; D122-R126 WeakPolarHBondContact O-CA 3.44Å; D122-R126 PolarHBondContact O-N 3.32Å; R126-G175 PolarHBondContact NH1-O 2.94Å
127	T	94.1	Very high	94.6	Very high	74 Å²	74	64.9 Å²	64.9	45%	0.454	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.9	-177.1	62.2	0	0	0	0	112	Y121 D122 T125	Y121-T127 WeakPolarHBondContact CD2-O 3.44Å; D122-T127 PolarHBondContact N-O 2.9Å; D122-T127 PolarHBondContact O-N 3.49Å; T125-T127 VanDerWaalsContact C-N 3.32Å; T125-T127 PolarHBondContact OG1-OG1 2.89Å
128	C	94.4	Very high	94.6	Very high	47 Å²	47	63.7 Å²	63.7	32%	0.318	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.3	168	-53.8	0	0	0	0	109.5	M130 G131 C133	C128-M130 PolarHBondContact O-N 3.31Å; C128-G131 PolarHBondContact O-N 3.33Å; C128-G131 VanDerWaalsContact O-N 3.16Å; C128-C133 WeakPolarHBondContact CA-SG 3.2Å; C128-C133 HydrophobicContact CB-CB 3.65Å; C128-C133 WeakPolarHBondContact CB-SG 3.48Å; C128-C133 VanDerWaalsContact SG-CA 3.59Å; C128-C133 WeakPolarHBondContact SG-CB 3.4Å; C128-C133 PolarHBondContact SG-N 3.06Å; C128-C133 VanDerWaalsContact SG-N 3.42Å; C128-C133 CovalentContact SG-SG 2.01Å; C128-C133 PolarHBondContact SG-SG 3.3Å
129	R	91.3	Very high	94.6	Very high	165 Å²	165	62 Å²	62	62%	0.623	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-58.3	130.1	162.4	-63.9	-179.3	-177.4	-164.5	1.3	108.3	N120 G131 Q132	N120-R129 HydrophobicContact CB-CB 4.15Å; N120-R129 WeakPolarHBondContact O-CB 3.33Å; N120-R129 WeakPolarHBondContact O-CG 3.43Å; N120-R129 PolarHBondContact O-N 3.3Å; R129-G131 PolarHBondContact O-N 3.3Å; R129-Q132 PolarHBondContact O-N 3.03Å
130	M	85.2	Confident	94.7	Very high	147 Å²	147	56.7 Å²	56.7	72%	0.724	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	59.7	13.8	-177.7	-49.6	-179	-65	0	0	115.2	C128 Q132	C128-M130 PolarHBondContact O-N 3.31Å; M130-Q132 PolarHBondContact O-N 3.18Å
131	G	86.1	Confident	94.8	Very high	62 Å²	62	55.4 Å²	55.4	64%	0.639	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	71.5	5.4	-177.3	0	0	0	0	0	114.9	C128 R129	C128-G131 PolarHBondContact O-N 3.33Å; C128-G131 VanDerWaalsContact O-N 3.16Å; R129-G131 PolarHBondContact O-N 3.3Å
132	Q	89.4	Confident	94.8	Very high	107 Å²	107	56.2 Å²	56.2	50%	0.5	29%	0.288	S	S	.	.			trans	-106.1	73.3	-172.2	-68.4	175.3	-1.2	0	0	110.7	E117 N120 R129 M130	E117-Q132 WeakPolarHBondContact CG-O 2.7Å; N120-Q132 VanDerWaalsContact CB-O 3.27Å; N120-Q132 WeakPolarHBondContact CB-O 3.35Å; N120-Q132 PolarHBondContact ND2-O 3.11Å; R129-Q132 PolarHBondContact O-N 3.03Å; M130-Q132 PolarHBondContact O-N 3.18Å
133	C	96.7	Very high	94.9	Very high	1 Å²	1	59 Å²	59	1%	0.007	30%	0.302	C	S	.	.			trans	-145.5	1.8	170.3	84.1	0	0	0	0	116.6	E117 Y121 C128 H135 Y136 T137	E117-C133 WeakPolarHBondContact OE2-CA 3.43Å; Y121-C133 HydrophobicContact CD2-CB 4.39Å; Y121-C133 WeakPolarHBondContact CD2-SG 3.28Å; C128-C133 WeakPolarHBondContact CA-SG 3.2Å; C128-C133 HydrophobicContact CB-CB 3.65Å; C128-C133 WeakPolarHBondContact CB-SG 3.48Å; C128-C133 VanDerWaalsContact SG-CA 3.59Å; C128-C133 WeakPolarHBondContact SG-CB 3.4Å; C128-C133 PolarHBondContact SG-N 3.06Å; C128-C133 VanDerWaalsContact SG-N 3.42Å; C128-C133 CovalentContact SG-SG 2.01Å; C128-C133 PolarHBondContact SG-SG 3.3Å; C133-H135 PolarHBondContact O-N 3.02Å; C133-Y136 PolarHBondContact O-N 2.7Å; C133-T137 WeakPolarHBondContact O-CG2 3.24Å; C133-T137 PolarHBondContact O-N 3.31Å; C133-T137 PolarHBondContact O-OG1 3.23Å
134	G	97.2	Very high	95.1	Very high	29 Å²	29	58.1 Å²	58.1	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-29	-173.4	0	0	0	0	0	113.9	E117 T137 Q138 N172	E117-G134 PolarHBondContact OE2-N 2.74Å; G134-T137 WeakPolarHBondContact CA-OG1 3.47Å; G134-T137 PolarHBondContact O-OG1 3.12Å; G134-T137 VanDerWaalsContact O-OG1 3.06Å; G134-Q138 WeakPolarHBondContact O-CB 3.42Å; G134-Q138 PolarHBondContact O-N 2.73Å; G134-N172 PolarHBondContact O-ND2 3.01Å
135	H	98.1	Very high	95.4	Very high	42 Å²	42	53 Å²	53	19%	0.194	29%	0.286	C	S	.	.	H	α-helix	trans	-74.1	-46.3	177.7	-56.1	125.8	0	0	0	110.7	N100 W114 E117 C133 Q138 L139	N100-H135 PolarHBondContact ND2-O 3.23Å; N100-H135 WeakPolarHBondContact OD1-CA 3.4Å; N100-H135 PolarHBondContact OD1-CD2 2.83Å; W114-H135 HydrophobicContact CB-CB 3.67Å; W114-H135 AromaticContact CD1-CD2 3.91Å; W114-H135 AromaticContact CD1-CG 3.41Å; W114-H135 VanDerWaalsContact CD1-CG 3.41Å; W114-H135 AromaticContact CD1-ND1 3.61Å; W114-H135 HydrophobicContact CG-CB 3.74Å; E117-H135 IonicContact OE1-CE1 3.37Å; E117-H135 IonicContact OE1-CG 3.47Å; E117-H135 IonicContact OE1-ND1 2.64Å; E117-H135 PolarHBondContact OE1-ND1 2.83Å; E117-H135 WeakPolarHBondContact OE2-CA 3.36Å; E117-H135 VanDerWaalsContact OE2-CB 3.23Å; E117-H135 WeakPolarHBondContact OE2-CB 3.33Å; E117-H135 IonicContact OE2-CG 3.71Å; E117-H135 PolarHBondContact OE2-N 2.84Å; E117-H135 IonicContact OE2-ND1 3.71Å; C133-H135 PolarHBondContact O-N 3.02Å; H135-Q138 PolarHBondContact O-N 3.41Å; H135-L139 WeakPolarHBondContact O-CG 3.35Å; H135-L139 PolarHBondContact O-N 3.22Å
136	Y	98.4	Very high	95.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-49.7	175.2	165.1	-109.4	0	0	0	111.3	L50 Q53 W114 L115 E117 Y118 Y121 C133 Q138 L139 V140 L178	L50-Y136 HydrophobicContact CD1-CE2 3.67Å; Q53-Y136 WeakPolarHBondContact CG-OH 3.23Å; W114-Y136 WeakPolarHBondContact O-CA 3.38Å; W114-Y136 WeakPolarHBondContact O-CB 3.24Å; W114-Y136 PolarHBondContact O-N 3.29Å; L115-Y136 HydrophobicContact CD1-CD2 4.26Å; L115-Y136 HydrophobicContact CD1-CE2 4.48Å; E117-Y136 PolarHBondContact OE2-N 3.33Å; Y118-Y136 VanDerWaalsContact CB-CE2 3.46Å; Y121-Y136 HydrophobicContact CD1-CD1 4.34Å; Y121-Y136 AromaticContact CD1-CE1 3.85Å; Y121-Y136 HydrophobicContact CD1-CE1 3.85Å; Y121-Y136 HydrophobicContact CG-CD1 4.32Å; Y121-Y136 HydrophobicContact CG-CE1 4.27Å; C133-Y136 PolarHBondContact O-N 2.7Å; Y136-Q138 PolarHBondContact O-N 2.85Å; Y136-L139 WeakPolarHBondContact O-CB 3.38Å; Y136-L139 PolarHBondContact O-N 2.96Å; Y136-V140 HydrophobicContact CD2-CG1 4.46Å; Y136-V140 HydrophobicContact CD2-CG2 4.3Å; Y136-V140 HydrophobicContact CE1-CG2 4.06Å; Y136-V140 HydrophobicContact CE2-CB 4.44Å; Y136-V140 HydrophobicContact CE2-CG1 3.84Å; Y136-V140 HydrophobicContact CE2-CG2 3.7Å; Y136-V140 PolarHBondContact O-N 3.2Å; Y136-L178 HydrophobicContact CE1-CD1 3.9Å
137	T	98.1	Very high	95.9	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.055	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-32.8	-177.1	54.4	0	0	0	0	111.8	Y121 C133 G134 W141 N172 L178	Y121-T137 HydrophobicContact CD1-CG2 4.43Å; Y121-T137 HydrophobicContact CD2-CG2 3.76Å; Y121-T137 HydrophobicContact CE1-CG2 4.46Å; Y121-T137 HydrophobicContact CE2-CG2 3.75Å; Y121-T137 HydrophobicContact CG-CG2 4.06Å; C133-T137 WeakPolarHBondContact O-CG2 3.24Å; C133-T137 PolarHBondContact O-N 3.31Å; C133-T137 PolarHBondContact O-OG1 3.23Å; G134-T137 WeakPolarHBondContact CA-OG1 3.47Å; G134-T137 PolarHBondContact O-OG1 3.12Å; G134-T137 VanDerWaalsContact O-OG1 3.06Å; T137-W141 PolarHBondContact O-N 2.91Å; T137-N172 VanDerWaalsContact CB-OD1 3.27Å; T137-N172 WeakPolarHBondContact CB-OD1 3.43Å; T137-N172 PolarHBondContact OG1-OD1 3.43Å; T137-L178 VanDerWaalsContact CB-CD2 3.49Å; T137-L178 HydrophobicContact CG2-CD1 3.94Å; T137-L178 HydrophobicContact CG2-CD2 3.61Å; T137-L178 HydrophobicContact CG2-CG 4.38Å
138	Q	98.6	Very high	96.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-72.8	-39.7	174.2	-178.3	57.2	83.9	0	0	112.9	G134 H135 Y136 V140 W141 T144 Y167 N172	G134-Q138 WeakPolarHBondContact O-CB 3.42Å; G134-Q138 PolarHBondContact O-N 2.73Å; H135-Q138 PolarHBondContact O-N 3.41Å; Y136-Q138 PolarHBondContact O-N 2.85Å; Q138-V140 PolarHBondContact O-N 3.46Å; Q138-W141 PolarHBondContact O-N 2.83Å; Q138-T144 PolarHBondContact NE2-OG1 2.97Å; Q138-Y167 HydrophobicContact CG-CD1 4.1Å; Q138-Y167 HydrophobicContact CG-CD2 3.28Å; Q138-Y167 HydrophobicContact CG-CE1 4.41Å; Q138-Y167 HydrophobicContact CG-CE2 3.66Å; Q138-Y167 HydrophobicContact CG-CG 3.52Å; Q138-N172 PolarHBondContact N-OD1 3.38Å
139	L	98.5	Very high	96.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-41.3	177.5	-71	177.4	0	0	0	111.8	H38 R42 F111 W114 L115 H135 Y136 Y167	H38-L139 WeakPolarHBondContact CD2-CD2 3.18Å; H38-L139 WeakPolarHBondContact NE2-CD2 3.49Å; R42-L139 WeakPolarHBondContact CG-O 3.33Å; R42-L139 PolarHBondContact NH1-O 2.9Å; F111-L139 HydrophobicContact CE1-CD1 4.49Å; F111-L139 HydrophobicContact CE2-CD1 4.33Å; F111-L139 HydrophobicContact CE2-CD2 3.68Å; F111-L139 HydrophobicContact CZ-CD1 4.03Å; F111-L139 HydrophobicContact CZ-CD2 4Å; W114-L139 HydrophobicContact CB-CD1 3.84Å; L115-L139 HydrophobicContact CB-CD1 4.32Å; H135-L139 WeakPolarHBondContact O-CG 3.35Å; H135-L139 PolarHBondContact O-N 3.22Å; Y136-L139 WeakPolarHBondContact O-CB 3.38Å; Y136-L139 PolarHBondContact O-N 2.96Å; L139-Y167 HydrophobicContact CD2-CE1 4.29Å; L139-Y167 WeakPolarHBondContact CD2-OH 3.28Å
140	V	98.4	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	20.7	-175.6	-56.5	0	0	0	0	113.5	V45 I59 Y136 Q138 E142 L178 Y179	V45-V140 HydrophobicContact CG1-CB 4.41Å; V45-V140 HydrophobicContact CG1-CG1 3.89Å; V45-V140 HydrophobicContact CG2-CB 4.36Å; V45-V140 HydrophobicContact CG2-CG1 4.14Å; I59-V140 HydrophobicContact CD1-CB 3.99Å; I59-V140 VanDerWaalsContact CD1-O 3.25Å; I59-V140 WeakPolarHBondContact CD1-O 3.47Å; Y136-V140 HydrophobicContact CD2-CG1 4.46Å; Y136-V140 HydrophobicContact CD2-CG2 4.3Å; Y136-V140 HydrophobicContact CE1-CG2 4.06Å; Y136-V140 HydrophobicContact CE2-CB 4.44Å; Y136-V140 HydrophobicContact CE2-CG1 3.84Å; Y136-V140 HydrophobicContact CE2-CG2 3.7Å; Y136-V140 PolarHBondContact O-N 3.2Å; Q138-V140 PolarHBondContact O-N 3.46Å; V140-E142 PolarHBondContact O-N 2.84Å; V140-L178 HydrophobicContact CG2-CD1 3.76Å; V140-Y179 HydrophobicContact CB-CD1 4.33Å; V140-Y179 HydrophobicContact CB-CE1 4.3Å; V140-Y179 HydrophobicContact CG2-CD1 4.17Å; V140-Y179 HydrophobicContact CG2-CE1 3.91Å; V140-Y179 WeakPolarHBondContact O-CD1 3.45Å
141	W	98.5	Very high	97.3	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.027	14%	0.138	C	C	.	.			trans	-70.1	119.4	175.9	-160.5	-92.6	0	0	0	110.9	R42 T137 Q138 D143 T144 G171 N172 Y173 R176 L178	R42-W141 PolarHBondContact NH1-O 3.02Å; T137-W141 PolarHBondContact O-N 2.91Å; Q138-W141 PolarHBondContact O-N 2.83Å; W141-D143 VanDerWaalsContact C-N 3.35Å; W141-D143 PolarHBondContact O-N 3.44Å; W141-T144 PolarHBondContact O-N 3.47Å; W141-G171 VanDerWaalsContact CD1-CA 3.46Å; W141-G171 VanDerWaalsContact CE2-CA 3.46Å; W141-G171 VanDerWaalsContact CG-CA 3.41Å; W141-N172 VanDerWaalsContact CZ3-CA 3.45Å; W141-Y173 HydrophobicContact CZ2-CD2 4.01Å; W141-R176 HydrophobicContact CH2-CB 3.83Å; W141-R176 HydrophobicContact CZ2-CB 3.84Å; W141-L178 HydrophobicContact CE3-CD2 3.65Å; W141-L178 HydrophobicContact CZ3-CD2 3.51Å
142	E	98.1	Very high	97.8	Very high	34 Å²	34	19.6 Å²	19.6	16%	0.159	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-40.8	-170.9	178	161.5	-137.5	0	0	113	S58 I59 V140 T144 L178 Y179 R180	S58-E142 VanDerWaalsContact CB-OE1 3.26Å; S58-E142 WeakPolarHBondContact CB-OE1 3.46Å; S58-E142 PolarHBondContact OG-OE1 3.13Å; I59-E142 PolarHBondContact N-OE1 3.44Å; V140-E142 PolarHBondContact O-N 2.84Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 3.04Å; E142-L178 WeakPolarHBondContact CB-O 3.26Å; E142-L178 PolarHBondContact N-O 3.47Å; E142-Y179 WeakPolarHBondContact OE2-CA 3.35Å; E142-R180 IonicContact OE1-NE 3.88Å; E142-R180 WeakPolarHBondContact OE2-CG 3.38Å; E142-R180 PolarHBondContact OE2-N 2.82Å; E142-R180 IonicContact OE2-NE 3.8Å
143	D	97.7	Very high	98.1	Very high	111 Å²	111	17.5 Å²	17.5	59%	0.594	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14	-177.6	-65.3	-26.9	0	0	0	113.3	W141 T145 P169	W141-D143 VanDerWaalsContact C-N 3.35Å; W141-D143 PolarHBondContact O-N 3.44Å; D143-T145 PolarHBondContact O-N 3.44Å; D143-P169 WeakPolarHBondContact O-CD 3.08Å; D143-P169 VanDerWaalsContact O-CG 3.24Å; D143-P169 WeakPolarHBondContact O-CG 3.3Å
144	T	98.8	Very high	98	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.1	C	C	.	.			trans	-72	127.6	173.8	-65.3	0	0	0	0	109.1	R42 L62 Q138 W141 E142 Y167 P169	R42-T144 PolarHBondContact NH2-O 3.38Å; L62-T144 HydrophobicContact CD2-CG2 3.95Å; L62-T144 WeakPolarHBondContact CD2-O 3.48Å; Q138-T144 PolarHBondContact NE2-OG1 2.97Å; W141-T144 PolarHBondContact O-N 3.47Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 3.04Å; T144-Y167 HydrophobicContact CG2-CD1 4.12Å; T144-Y167 HydrophobicContact CG2-CG 4.46Å; T144-P169 PolarHBondContact OG1-O 3.01Å
145	T	98.7	Very high	97.4	Very high	66 Å²	66	21 Å²	21	41%	0.405	12%	0.117	S	C	.	.			trans	-113.1	-25.8	-176.5	52.9	0	0	0	0	112.8	L62 K63 D143 G168	L62-T145 WeakPolarHBondContact CA-O 3.29Å; K63-T145 PolarHBondContact N-O 2.8Å; D143-T145 PolarHBondContact O-N 3.44Å; T145-G168 PolarHBondContact N-O 3.21Å; T145-G168 PolarHBondContact OG1-O 2.85Å
146	D	98.8	Very high	96.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.3	-168.2	-70.1	-117.4	0	0	0	110.8	K63 N65 L68 F94 Y167 G168	K63-D146 WeakPolarHBondContact CE-OD1 3.35Å; K63-D146 WeakPolarHBondContact CE-OD2 3.28Å; K63-D146 IonicContact NZ-OD1 3.94Å; K63-D146 IonicContact NZ-OD2 3.65Å; K63-D146 WeakPolarHBondContact O-CA 3.44Å; N65-D146 HydrophobicContact CB-CB 3.97Å; N65-D146 WeakPolarHBondContact CB-OD1 3.39Å; N65-D146 PolarHBondContact ND2-OD1 3.27Å; L68-D146 HydrophobicContact CD1-CB 3.8Å; F94-D146 HydrophobicContact CE2-CB 3.72Å; F94-D146 HydrophobicContact CZ-CB 3.91Å; F94-D146 WeakPolarHBondContact CZ-OD2 3.33Å; D146-Y167 WeakPolarHBondContact O-CA 3.33Å; D146-G168 WeakPolarHBondContact CB-O 3.49Å; D146-G168 PolarHBondContact N-O 3.31Å; D146-G168 PolarHBondContact O-N 2.79Å
147	V	98.9	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.9	168.5	64.7	0	0	0	0	110.1	L35 L62 K63 W64 N65 C165 N166 Y167	L35-V147 HydrophobicContact CD1-CG1 3.87Å; L62-V147 HydrophobicContact CB-CG1 4.08Å; L62-V147 HydrophobicContact CD1-CB 3.94Å; L62-V147 HydrophobicContact CD1-CG1 4.04Å; K63-V147 PolarHBondContact O-N 3.44Å; W64-V147 CarbonylContact C-O 3.37Å; W64-V147 VanDerWaalsContact CA-O 3.28Å; W64-V147 WeakPolarHBondContact CA-O 3.24Å; W64-V147 HydrophobicContact CE3-CG1 4.18Å; N65-V147 PolarHBondContact N-O 3.48Å; V147-C165 HydrophobicContact CG2-CB 4.24Å; V147-N166 WeakPolarHBondContact CA-O 3.49Å; V147-Y167 HydrophobicContact CB-CD1 4.27Å; V147-Y167 HydrophobicContact CB-CE1 4.36Å; V147-Y167 HydrophobicContact CG2-CD1 3.96Å; V147-Y167 HydrophobicContact CG2-CE1 3.71Å
148	G	98.8	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.3	164.9	0	0	0	0	0	109.1	N166	G148-N166 PolarHBondContact N-O 3.02Å; G148-N166 PolarHBondContact O-N 3.46Å
149	C	98.9	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.3	-175.1	-50.2	0	0	0	0	111.6	L26 L34 W64 E69 V164 C165	L26-C149 WeakPolarHBondContact CD2-O 3.46Å; L34-C149 HydrophobicContact CD1-CB 3.76Å; W64-C149 HydrophobicContact CH2-CB 3.69Å; W64-C149 VanDerWaalsContact CH2-N 3.26Å; W64-C149 HydrophobicContact CZ2-CB 4.43Å; W64-C149 VanDerWaalsContact CZ2-N 3.29Å; W64-C149 HydrophobicContact CZ3-CB 4.44Å; E69-C149 VanDerWaalsContact CG-O 3.28Å; E69-C149 WeakPolarHBondContact CG-O 3.43Å; C149-V164 CarbonylContact C-O 2.93Å; C149-V164 WeakPolarHBondContact CA-O 3.25Å; C149-V164 WeakPolarHBondContact CB-O 3.44Å; C149-C165 HydrophobicContact CB-CB 4.05Å; C149-C165 WeakPolarHBondContact CB-SG 3.4Å; C149-C165 WeakPolarHBondContact SG-CB 3.33Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 3.39Å
150	G	98.5	Very high	95	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.1	168.7	0	0	0	0	0	109.4	A72 V164	A72-G150 VanDerWaalsContact CB-N 3.31Å; G150-V164 PolarHBondContact N-O 3.12Å; G150-V164 PolarHBondContact O-N 3.42Å
151	V	98.1	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131.2	179.2	-172.8	0	0	0	0	108.8	K25 L26 M30 L34 Q73 I107 L161 S162 I163	K25-V151 HydrophobicContact CB-CG1 4.25Å; K25-V151 PolarHBondContact N-O 3.06Å; L26-V151 HydrophobicContact CB-CB 4.23Å; L26-V151 HydrophobicContact CD1-CG2 4.1Å; L26-V151 PolarHBondContact N-O 2.75Å; M30-V151 HydrophobicContact SD-CB 3.81Å; M30-V151 HydrophobicContact SD-CG1 3.79Å; M30-V151 HydrophobicContact SD-CG2 3.83Å; L34-V151 HydrophobicContact CD1-CG2 3.99Å; Q73-V151 PolarHBondContact NE2-O 2.91Å; Q73-V151 PolarHBondContact OE1-O 3.3Å; I107-V151 HydrophobicContact CG2-CG1 4.16Å; I107-V151 HydrophobicContact CG2-CG2 4.03Å; V151-L161 HydrophobicContact CG1-CB 4.47Å; V151-L161 HydrophobicContact CG1-CD1 4.07Å; V151-S162 WeakPolarHBondContact CA-O 3.48Å; V151-I163 HydrophobicContact CG1-CG1 4.29Å; V151-I163 HydrophobicContact CG2-CG2 4.24Å
152	T	97.1	Very high	94.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134	-175.5	-60.3	0	0	0	0	109.7	V22 Q73 S76 D77 L161 S162	V22-T152 HydrophobicContact CB-CG2 4.42Å; V22-T152 HydrophobicContact CG1-CG2 2.98Å; Q73-T152 PolarHBondContact NE2-OG1 3.35Å; S76-T152 VanDerWaalsContact CB-OG1 3.26Å; S76-T152 WeakPolarHBondContact CB-OG1 3.48Å; S76-T152 WeakPolarHBondContact O-CB 3.37Å; S76-T152 PolarHBondContact O-OG1 3.16Å; S76-T152 PolarHBondContact OG-OG1 2.78Å; D77-T152 PolarHBondContact N-OG1 2.67Å; D77-T152 PolarHBondContact OD1-OG1 2.73Å; T152-L161 WeakPolarHBondContact O-CA 3.37Å; T152-S162 PolarHBondContact N-O 2.8Å; T152-S162 PolarHBondContact O-N 3.39Å
153	D	95.8	Very high	94.8	Very high	63 Å²	63	36.5 Å²	36.5	34%	0.337	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119	168.1	-154.4	-48.6	0	0	0	109.6	K25 P155 L161	K25-D153 HydrophobicContact CD-CB 4.22Å; K25-D153 IonicContact NZ-OD2 3.59Å; K25-D153 PolarHBondContact NZ-OD2 3.34Å; D153-P155 WeakPolarHBondContact O-CD 3.41Å; D153-L161 HydrophobicContact CB-CD2 4.35Å
154	C	94.1	Very high	94.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	18%	0.179	C	C	.	.			trans	-119.6	82	-173.4	-66.4	0	0	0	0	109.3	C79 N156 F157 G160	C79-C154 WeakPolarHBondContact CA-SG 3.39Å; C79-C154 HydrophobicContact CB-CB 3.65Å; C79-C154 WeakPolarHBondContact CB-SG 3.24Å; C79-C154 VanDerWaalsContact SG-CA 3.59Å; C79-C154 WeakPolarHBondContact SG-CB 2.86Å; C79-C154 CovalentContact SG-SG 2.04Å; C79-C154 PolarHBondContact SG-SG 3.28Å; C154-N156 PolarHBondContact O-N 3.09Å; C154-N156 VanDerWaalsContact O-N 3.13Å; C154-F157 HydrophobicContact CB-CB 3.43Å; C154-F157 VanDerWaalsContact CB-CB 3.43Å; C154-F157 HydrophobicContact CB-CD1 4.29Å; C154-F157 HydrophobicContact CB-CG 4.12Å; C154-F157 WeakPolarHBondContact O-CB 3.45Å; C154-F157 PolarHBondContact O-N 2.79Å; C154-G160 CarbonylContact C-O 3.53Å; C154-G160 WeakPolarHBondContact CA-O 3Å; C154-G160 PolarHBondContact N-O 3.43Å
155	P	85.7	Confident	94.9	Very high	101 Å²	101	31.2 Å²	31.2	66%	0.656	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.9	-169.3	22.8	-34.4	0	0	0	114.3	D153 F157	D153-P155 WeakPolarHBondContact O-CD 3.41Å; P155-F157 VanDerWaalsContact C-N 3.35Å
156	N	86.1	Confident	94.9	Very high	148 Å²	148	28 Å²	28	79%	0.791	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	6.6	177.3	-62	-40.5	0	0	0	113	C154	C154-N156 PolarHBondContact O-N 3.09Å; C154-N156 VanDerWaalsContact O-N 3.13Å
157	F	83.6	Confident	94.9	Very high	29 Å²	29	28 Å²	28	13%	0.127	16%	0.159	C	C	.	.	S	Bend	trans	-104.1	137.5	-175.6	-155.4	-124.4	0	0	0	109.4	C79 R80 V81 W101 C154 P155 Y159 G160	C79-F157 WeakPolarHBondContact O-CD2 3.46Å; C79-F157 WeakPolarHBondContact O-CE2 3.5Å; R80-F157 VanDerWaalsContact C-CZ 3.45Å; V81-F157 HydrophobicContact CB-CZ 4.48Å; V81-F157 HydrophobicContact CG2-CE2 4.08Å; V81-F157 HydrophobicContact CG2-CZ 3.55Å; W101-F157 AromaticContact CH2-CE1 3.99Å; W101-F157 HydrophobicContact CH2-CE1 3.99Å; W101-F157 HydrophobicContact CH2-CZ 4.11Å; W101-F157 AromaticContact CZ2-CE1 3.6Å; W101-F157 HydrophobicContact CZ2-CE1 3.6Å; W101-F157 AromaticContact CZ2-CZ 3.74Å; W101-F157 HydrophobicContact CZ2-CZ 3.74Å; C154-F157 HydrophobicContact CB-CB 3.43Å; C154-F157 VanDerWaalsContact CB-CB 3.43Å; C154-F157 HydrophobicContact CB-CD1 4.29Å; C154-F157 HydrophobicContact CB-CG 4.12Å; C154-F157 WeakPolarHBondContact O-CB 3.45Å; C154-F157 PolarHBondContact O-N 2.79Å; P155-F157 VanDerWaalsContact C-N 3.35Å; F157-Y159 AromaticContact CD1-CD2 3.81Å; F157-Y159 HydrophobicContact CD1-CD2 3.81Å; F157-Y159 AromaticContact CE1-CD2 3.56Å; F157-Y159 HydrophobicContact CE1-CD2 3.56Å; F157-Y159 HydrophobicContact CE1-CE2 4.1Å; F157-Y159 HydrophobicContact CZ-CD2 4.22Å; F157-Y159 HydrophobicContact CZ-CE2 4.32Å; F157-Y159 PolarHBondContact O-N 3.37Å; F157-G160 PolarHBondContact O-N 2.95Å
158	P	88.8	Confident	94.9	Very high	108 Å²	108	28 Å²	28	70%	0.701	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.5	-167.5	24.1	-33.7	0	0	0	114.5
159	Y	89.1	Confident	94.8	Very high	105 Å²	105	30 Å²	30	41%	0.412	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-11.5	-175.2	-47.6	-74	0	0	0	114.5	V81 W101 G103 A104 T105 F157 L161	V81-Y159 HydrophobicContact CG2-CE2 4.27Å; W101-Y159 HydrophobicContact CH2-CD2 4.29Å; W101-Y159 HydrophobicContact CH2-CE2 4.08Å; G103-Y159 VanDerWaalsContact CA-CB 3.48Å; A104-Y159 CarbonylContact C-O 3.55Å; T105-Y159 PolarHBondContact N-O 3.28Å; F157-Y159 AromaticContact CD1-CD2 3.81Å; F157-Y159 HydrophobicContact CD1-CD2 3.81Å; F157-Y159 AromaticContact CE1-CD2 3.56Å; F157-Y159 HydrophobicContact CE1-CD2 3.56Å; F157-Y159 HydrophobicContact CE1-CE2 4.1Å; F157-Y159 HydrophobicContact CZ-CD2 4.22Å; F157-Y159 HydrophobicContact CZ-CE2 4.32Å; F157-Y159 PolarHBondContact O-N 3.37Å; Y159-L161 PolarHBondContact O-N 2.75Å
160	G	92.6	Very high	94.8	Very high	27 Å²	27	30.1 Å²	30.1	28%	0.278	17%	0.173	S	C	.	.	S	Bend	trans	90	-66.2	-174.4	0	0	0	0	0	113.3	C154 F157	C154-G160 CarbonylContact C-O 3.53Å; C154-G160 WeakPolarHBondContact CA-O 3Å; C154-G160 PolarHBondContact N-O 3.43Å; F157-G160 PolarHBondContact O-N 2.95Å
161	L	96	Very high	94.8	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.9	177.6	-51.6	-176.8	0	0	0	112.4	K25 G103 A104 V151 T152 D153 Y159 I163	K25-L161 HydrophobicContact CD-CD1 4.37Å; K25-L161 HydrophobicContact CD-CD2 3.46Å; K25-L161 VanDerWaalsContact CD-CD2 3.46Å; G103-L161 VanDerWaalsContact CA-O 3.31Å; G103-L161 WeakPolarHBondContact CA-O 3.48Å; A104-L161 PolarHBondContact N-O 3.07Å; A104-L161 WeakPolarHBondContact O-CA 3.45Å; A104-L161 WeakPolarHBondContact O-CB 3.3Å; A104-L161 WeakPolarHBondContact O-CG 3.49Å; A104-L161 PolarHBondContact O-N 2.64Å; V151-L161 HydrophobicContact CG1-CB 4.47Å; V151-L161 HydrophobicContact CG1-CD1 4.07Å; T152-L161 WeakPolarHBondContact O-CA 3.37Å; D153-L161 HydrophobicContact CB-CD2 4.35Å; Y159-L161 PolarHBondContact O-N 2.75Å; L161-I163 HydrophobicContact CB-CD1 4.43Å; L161-I163 HydrophobicContact CB-CG1 4.01Å
162	S	97.1	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.5	157.6	-175.8	0	0	0	0	108.5	S76 W101 V151 T152	S76-S162 WeakPolarHBondContact CB-O 3.44Å; S76-S162 WeakPolarHBondContact O-CB 3.31Å; W101-S162 PolarHBondContact NE1-OG 3.23Å; V151-S162 WeakPolarHBondContact CA-O 3.48Å; T152-S162 PolarHBondContact N-O 2.8Å; T152-S162 PolarHBondContact O-N 3.39Å
163	I	98.2	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.8	-177.2	-52.5	160.9	0	0	0	107.8	W101 A102 A104 I107 W114 V151 L161	W101-I163 CarbonylContact C-O 3.41Å; W101-I163 WeakPolarHBondContact CA-O 3.34Å; A102-I163 PolarHBondContact N-O 2.89Å; A102-I163 PolarHBondContact O-N 2.99Å; A104-I163 HydrophobicContact CB-CD1 4.04Å; I107-I163 HydrophobicContact CG2-CD1 4.31Å; I107-I163 HydrophobicContact CG2-CG1 4.41Å; W114-I163 HydrophobicContact CH2-CB 4.47Å; W114-I163 HydrophobicContact CH2-CG2 3.68Å; W114-I163 HydrophobicContact CZ2-CG2 4.28Å; W114-I163 HydrophobicContact CZ3-CG2 4.5Å; V151-I163 HydrophobicContact CG1-CG1 4.29Å; V151-I163 HydrophobicContact CG2-CG2 4.24Å; L161-I163 HydrophobicContact CB-CD1 4.43Å; L161-I163 HydrophobicContact CB-CG1 4.01Å
164	V	98.6	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.8	179.2	-177.6	0	0	0	0	108.4	A72 L75 Q99 N100 C149 G150	A72-V164 HydrophobicContact CB-CB 4.06Å; A72-V164 HydrophobicContact CB-CG1 3.76Å; L75-V164 HydrophobicContact CB-CG1 4.36Å; L75-V164 HydrophobicContact CB-CG2 4.17Å; L75-V164 HydrophobicContact CD2-CG1 3.91Å; L75-V164 HydrophobicContact CD2-CG2 4.02Å; L75-V164 HydrophobicContact CG-CG1 4.44Å; L75-V164 HydrophobicContact CG-CG2 3.9Å; Q99-V164 HydrophobicContact CG-CG1 3.94Å; N100-V164 WeakPolarHBondContact O-CA 3.33Å; C149-V164 CarbonylContact C-O 2.93Å; C149-V164 WeakPolarHBondContact CA-O 3.25Å; C149-V164 WeakPolarHBondContact CB-O 3.44Å; G150-V164 PolarHBondContact N-O 3.12Å; G150-V164 PolarHBondContact O-N 3.42Å
165	C	98.9	Very high	94.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.5	168.7	-70.4	0	0	0	0	109.7	Q99 N100 W114 V147 C149 Y167	Q99-C165 CarbonylContact C-O 3.45Å; Q99-C165 VanDerWaalsContact CA-O 3.26Å; Q99-C165 WeakPolarHBondContact CA-O 3.04Å; N100-C165 PolarHBondContact N-O 2.85Å; N100-C165 PolarHBondContact O-N 2.64Å; W114-C165 HydrophobicContact CH2-CB 4.12Å; W114-C165 HydrophobicContact CZ3-CB 4.22Å; V147-C165 HydrophobicContact CG2-CB 4.24Å; C149-C165 HydrophobicContact CB-CB 4.05Å; C149-C165 WeakPolarHBondContact CB-SG 3.4Å; C149-C165 WeakPolarHBondContact SG-CB 3.33Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 3.39Å; C165-Y167 HydrophobicContact CB-CE2 3.86Å; C165-Y167 WeakPolarHBondContact CB-OH 3.39Å; C165-Y167 WeakPolarHBondContact O-CD2 3.1Å; C165-Y167 WeakPolarHBondContact O-CE2 3.46Å
166	N	98.9	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141	175.4	-78.2	-19.9	0	0	0	109.9	L68 A72 V97 G98 Q99 V147 G148	L68-N166 HydrophobicContact CB-CB 4.05Å; L68-N166 HydrophobicContact CD2-CB 4.19Å; L68-N166 PolarHBondContact O-ND2 3.45Å; A72-N166 WeakPolarHBondContact CA-ND2 3.26Å; A72-N166 HydrophobicContact CB-CB 4.35Å; A72-N166 PolarHBondContact N-ND2 3.28Å; A72-N166 VanDerWaalsContact N-ND2 3.16Å; V97-N166 HydrophobicContact CG1-CB 3.66Å; G98-N166 CarbonylContact O-C 3.59Å; G98-N166 WeakPolarHBondContact O-CA 3.21Å; Q99-N166 WeakPolarHBondContact CG-OD1 3.47Å; Q99-N166 PolarHBondContact NE2-OD1 2.79Å; V147-N166 WeakPolarHBondContact CA-O 3.49Å; G148-N166 PolarHBondContact N-O 3.02Å; G148-N166 PolarHBondContact O-N 3.46Å
167	Y	98.9	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.3	-170.1	-60.3	-87.2	0	0	0	111.9	H38 L62 V97 G98 N100 Q138 L139 T144 D146 V147 C165 P169 G170	H38-Y167 AromaticContact CD2-CE1 3.57Å; H38-Y167 AromaticContact NE2-CE1 3.29Å; H38-Y167 VanDerWaalsContact NE2-CE1 3.29Å; H38-Y167 WeakPolarHBondContact NE2-CE1 3.47Å; H38-Y167 AromaticContact NE2-CZ 3.43Å; H38-Y167 PolarHBondContact NE2-OH 3.28Å; L62-Y167 HydrophobicContact CD1-CD1 4.48Å; V97-Y167 CarbonylContact C-O 3.49Å; V97-Y167 VanDerWaalsContact CA-O 3.27Å; V97-Y167 WeakPolarHBondContact CA-O 3.35Å; G98-Y167 PolarHBondContact N-O 3.11Å; G98-Y167 PolarHBondContact O-N 3.14Å; N100-Y167 HydrophobicContact CB-CE2 3.78Å; N100-Y167 PolarHBondContact ND2-OH 3.14Å; Q138-Y167 HydrophobicContact CG-CD1 4.1Å; Q138-Y167 HydrophobicContact CG-CD2 3.28Å; Q138-Y167 HydrophobicContact CG-CE1 4.41Å; Q138-Y167 HydrophobicContact CG-CE2 3.66Å; Q138-Y167 HydrophobicContact CG-CG 3.52Å; L139-Y167 HydrophobicContact CD2-CE1 4.29Å; L139-Y167 WeakPolarHBondContact CD2-OH 3.28Å; T144-Y167 HydrophobicContact CG2-CD1 4.12Å; T144-Y167 HydrophobicContact CG2-CG 4.46Å; D146-Y167 WeakPolarHBondContact O-CA 3.33Å; V147-Y167 HydrophobicContact CB-CD1 4.27Å; V147-Y167 HydrophobicContact CB-CE1 4.36Å; V147-Y167 HydrophobicContact CG2-CD1 3.96Å; V147-Y167 HydrophobicContact CG2-CE1 3.71Å; C165-Y167 HydrophobicContact CB-CE2 3.86Å; C165-Y167 WeakPolarHBondContact CB-OH 3.39Å; C165-Y167 WeakPolarHBondContact O-CD2 3.1Å; C165-Y167 WeakPolarHBondContact O-CE2 3.46Å; Y167-P169 CarbonylContact O-C 3.56Å; Y167-G170 WeakPolarHBondContact O-CA 3.38Å; Y167-G170 PolarHBondContact O-N 3.3Å
168	G	98.5	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.2	-175.7	0	0	0	0	0	113.2	F94 T145 D146	F94-G168 VanDerWaalsContact CD2-CA 3.48Å; T145-G168 PolarHBondContact N-O 3.21Å; T145-G168 PolarHBondContact OG1-O 2.85Å; D146-G168 WeakPolarHBondContact CB-O 3.49Å; D146-G168 PolarHBondContact N-O 3.31Å; D146-G168 PolarHBondContact O-N 2.79Å
169	P	98.5	Very high	95.6	Very high	43 Å²	43	36.4 Å²	36.4	28%	0.279	20%	0.199	S	C	.	.	S	Bend	cis	-58.1	153.9	-25.4	30.3	-36	0	0	0	110.5	F94 D143 T144 Y167	F94-P169 HydrophobicContact CD1-CB 4.15Å; D143-P169 WeakPolarHBondContact O-CD 3.08Å; D143-P169 VanDerWaalsContact O-CG 3.24Å; D143-P169 WeakPolarHBondContact O-CG 3.3Å; T144-P169 PolarHBondContact OG1-O 3.01Å; Y167-P169 CarbonylContact O-C 3.56Å
170	G	98.2	Very high	95.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	21%	0.208	C	C	.	.			trans	-63.4	148.2	175.5	0	0	0	0	0	112.2	Y96 Y167 Y173	Y96-G170 WeakPolarHBondContact CD1-O 3.28Å; Y96-G170 VanDerWaalsContact CE1-C 3.4Å; Y96-G170 WeakPolarHBondContact CE1-O 3.47Å; Y96-G170 PolarHBondContact O-N 2.82Å; Y167-G170 WeakPolarHBondContact O-CA 3.38Å; Y167-G170 PolarHBondContact O-N 3.3Å; G170-Y173 WeakPolarHBondContact O-CE2 3.38Å
171	G	97.9	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.			trans	-101	-147.6	175.9	0	0	0	0	0	113.1	Y96 W141 Y173	Y96-G171 VanDerWaalsContact CE1-O 3.24Å; Y96-G171 WeakPolarHBondContact CE1-O 3.46Å; Y96-G171 PolarHBondContact OH-O 2.45Å; Y96-G171 VanDerWaalsContact OH-O 3.14Å; W141-G171 VanDerWaalsContact CD1-CA 3.46Å; W141-G171 VanDerWaalsContact CE2-CA 3.46Å; W141-G171 VanDerWaalsContact CG-CA 3.41Å; G171-Y173 PolarHBondContact O-N 3.42Å
172	N	96.8	Very high	95.2	Very high	55 Å²	55	47.4 Å²	47.4	29%	0.294	26%	0.255	S	S	.	.			trans	59	30.2	177.4	-61.5	-12.1	0	0	0	114.2	G134 T137 Q138 W141 P174	G134-N172 PolarHBondContact O-ND2 3.01Å; T137-N172 VanDerWaalsContact CB-OD1 3.27Å; T137-N172 WeakPolarHBondContact CB-OD1 3.43Å; T137-N172 PolarHBondContact OG1-OD1 3.43Å; Q138-N172 PolarHBondContact N-OD1 3.38Å; W141-N172 VanDerWaalsContact CZ3-CA 3.45Å; N172-P174 WeakPolarHBondContact O-CD 3.36Å
173	Y	94.6	Very high	95.2	Very high	108 Å²	108	49.8 Å²	49.8	42%	0.424	27%	0.268	S	S	.	.			trans	-68.3	123.5	172.9	-74.9	-79.7	0	0	0	110.5	Y96 W141 G170 G171 G175 R176	Y96-Y173 HydrophobicContact CD1-CE1 4.44Å; Y96-Y173 HydrophobicContact CD1-CE2 4.03Å; Y96-Y173 AromaticContact CD1-CZ 3.66Å; Y96-Y173 VanDerWaalsContact CD1-OH 3.22Å; Y96-Y173 WeakPolarHBondContact CD1-OH 3.48Å; Y96-Y173 HydrophobicContact CE1-CE1 4.48Å; Y96-Y173 HydrophobicContact CE1-CE2 4.07Å; Y96-Y173 AromaticContact CE1-CZ 3.93Å; W141-Y173 HydrophobicContact CZ2-CD2 4.01Å; G170-Y173 WeakPolarHBondContact O-CE2 3.38Å; G171-Y173 PolarHBondContact O-N 3.42Å; Y173-G175 PolarHBondContact O-N 3.37Å; Y173-R176 PolarHBondContact O-N 2.83Å; Y173-R176 VanDerWaalsContact O-N 3.12Å
174	P	90.2	Very high	95	Very high	128 Å²	128	52.4 Å²	52.4	83%	0.831	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	131.5	179.7	-28.6	35.9	0	0	0	112.5	N172 R176	N172-P174 WeakPolarHBondContact O-CD 3.36Å; P174-R176 PolarHBondContact O-N 2.87Å
175	G	88.1	Confident	94.8	Very high	54 Å²	54	55.3 Å²	55.3	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-1.4	177.4	0	0	0	0	0	115.6	R126 Y173	R126-G175 PolarHBondContact NH1-O 2.94Å; Y173-G175 PolarHBondContact O-N 3.37Å
176	R	92.3	Very high	94.6	Very high	171 Å²	171	58.5 Å²	58.5	65%	0.645	32%	0.315	S	S	*	.			trans	-85.7	145.2	171.6	-62.5	-73.8	-175.7	159.1	-0.5	110.3	W141 Y173 P174	W141-R176 HydrophobicContact CH2-CB 3.83Å; W141-R176 HydrophobicContact CZ2-CB 3.84Å; Y173-R176 PolarHBondContact O-N 2.83Å; Y173-R176 VanDerWaalsContact O-N 3.12Å; P174-R176 PolarHBondContact O-N 2.87Å
177	P	91.9	Very high	94.3	Very high	62 Å²	62	62.2 Å²	62.2	40%	0.403	34%	0.335	S	S	.	.			trans	-68.3	150.6	171.1	30.7	-34.3	0	0	0	110.6
178	L	95.7	Very high	94	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	36%	0.357	C	S	.	.	S	Bend	trans	-64.6	-44.6	175.6	-57	-169.3	0	0	0	111.6	Y121 F123 Y136 T137 V140 W141 E142	Y121-L178 HydrophobicContact CD1-CD1 3.76Å; Y121-L178 HydrophobicContact CE1-CD1 3.24Å; Y121-L178 HydrophobicContact CE1-CD2 4.28Å; Y121-L178 HydrophobicContact CE1-CG 3.62Å; Y121-L178 WeakPolarHBondContact OH-CG 3.45Å; F123-L178 HydrophobicContact CE2-CB 4.28Å; Y136-L178 HydrophobicContact CE1-CD1 3.9Å; T137-L178 VanDerWaalsContact CB-CD2 3.49Å; T137-L178 HydrophobicContact CG2-CD1 3.94Å; T137-L178 HydrophobicContact CG2-CD2 3.61Å; T137-L178 HydrophobicContact CG2-CG 4.38Å; V140-L178 HydrophobicContact CG2-CD1 3.76Å; W141-L178 HydrophobicContact CE3-CD2 3.65Å; W141-L178 HydrophobicContact CZ3-CD2 3.51Å; E142-L178 WeakPolarHBondContact CB-O 3.26Å; E142-L178 PolarHBondContact N-O 3.47Å
179	Y	97.3	Very high	93.6	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.008	38%	0.382	C	S	.	.	S	Bend	trans	-158.6	161.3	-176.8	50.4	-102.2	0	0	0	109.5	V45 P54 A56 F123 V140 E142 T181	V45-Y179 HydrophobicContact CB-CE1 4.3Å; V45-Y179 HydrophobicContact CG1-CE1 4.25Å; V45-Y179 HydrophobicContact CG2-CE1 4.44Å; P54-Y179 HydrophobicContact CG-CE2 4.26Å; P54-Y179 VanDerWaalsContact O-CE2 3.3Å; P54-Y179 WeakPolarHBondContact O-CE2 3.41Å; P54-Y179 PolarHBondContact O-OH 3.49Å; A56-Y179 HydrophobicContact CB-CD1 4.43Å; A56-Y179 HydrophobicContact CB-CD2 3.4Å; A56-Y179 VanDerWaalsContact CB-CD2 3.4Å; A56-Y179 HydrophobicContact CB-CE2 3.66Å; A56-Y179 HydrophobicContact CB-CG 3.81Å; F123-Y179 HydrophobicContact CD2-CE1 4.42Å; F123-Y179 HydrophobicContact CD2-CE2 4.25Å; F123-Y179 AromaticContact CD2-CZ 3.99Å; F123-Y179 HydrophobicContact CE2-CD1 4.3Å; F123-Y179 AromaticContact CE2-CD2 3.84Å; F123-Y179 HydrophobicContact CE2-CD2 3.84Å; F123-Y179 AromaticContact CE2-CE1 4Å; F123-Y179 HydrophobicContact CE2-CE1 4Å; F123-Y179 AromaticContact CE2-CE2 3.53Å; F123-Y179 HydrophobicContact CE2-CE2 3.53Å; F123-Y179 HydrophobicContact CE2-CG 4.23Å; F123-Y179 AromaticContact CE2-CZ 3.63Å; F123-Y179 HydrophobicContact CZ-CD2 4.19Å; F123-Y179 HydrophobicContact CZ-CE2 4.11Å; F123-Y179 WeakPolarHBondContact CZ-O 3.36Å; V140-Y179 HydrophobicContact CB-CD1 4.33Å; V140-Y179 HydrophobicContact CB-CE1 4.3Å; V140-Y179 HydrophobicContact CG2-CD1 4.17Å; V140-Y179 HydrophobicContact CG2-CE1 3.91Å; V140-Y179 WeakPolarHBondContact O-CD1 3.45Å; E142-Y179 WeakPolarHBondContact OE2-CA 3.35Å; Y179-T181 HydrophobicContact CD2-CG2 3.99Å; Y179-T181 HydrophobicContact CE2-CG2 3.83Å
180	R	95.6	Very high	93.3	Very high	157 Å²	157	73.2 Å²	73.2	59%	0.592	39%	0.39	S	S	*	.			trans	-72.8	141.2	172.3	-68.7	-178.2	-66.2	179	-0.2	111.8	A56 V57 S58 E142	A56-R180 WeakPolarHBondContact CA-O 3.41Å; V57-R180 HydrophobicContact CG2-CB 3.74Å; V57-R180 PolarHBondContact N-O 3.09Å; S58-R180 VanDerWaalsContact OG-CZ 3.3Å; S58-R180 PolarHBondContact OG-NE 2.92Å; S58-R180 VanDerWaalsContact OG-NE 3.09Å; S58-R180 PolarHBondContact OG-NH2 2.74Å; E142-R180 IonicContact OE1-NE 3.88Å; E142-R180 WeakPolarHBondContact OE2-CG 3.38Å; E142-R180 PolarHBondContact OE2-N 2.82Å; E142-R180 IonicContact OE2-NE 3.8Å
181	T	93.6	Very high	92.9	Very high	47 Å²	47	79.3 Å²	79.3	29%	0.288	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-117.7	163	176.4	68.2	0	0	0	0	110.7	P54 I55 F123 Y179	P54-T181 HydrophobicContact CB-CG2 3.63Å; P54-T181 HydrophobicContact CG-CG2 3.45Å; P54-T181 VanDerWaalsContact CG-CG2 3.45Å; I55-T181 WeakPolarHBondContact O-CA 3.36Å; F123-T181 HydrophobicContact CD1-CG2 4.44Å; F123-T181 HydrophobicContact CE1-CG2 3.51Å; F123-T181 HydrophobicContact CE2-CG2 4.06Å; F123-T181 HydrophobicContact CZ-CG2 3.29Å; Y179-T181 HydrophobicContact CD2-CG2 3.99Å; Y179-T181 HydrophobicContact CE2-CG2 3.83Å
182	T	80.5	Confident	92.4	Very high	164 Å²	164	86.5 Å²	86.5	100%	1.006	46%	0.46	S	S	*	.			trans	-66.8	0	165.2	54	0	0	0	0	111.9	V57	V57-T182 HydrophobicContact CG1-CG2 3.38Å

Retrieved 182 of 182 residues in 264.5 ms (Link to these results)

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