A0A087X0T5_HUMAN Loading...

N-terminal asparagine amidase

AlphaFold DB , UniProt , Accession A0A087X0T5, Species HUMAN (Homo sapiens, Human), Gene NTAN1, Length 205 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	45.8	Very low	241 Å²	241	126.5 Å²	126.5	100%	1.187	67%	0.667	S	S	*	*				0	102.1	0	-78.9	169.3	-179.4	0	0	106.5
2	N	31.8	Very low	46.6	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	70%	0.695	S	S	*	*			trans	-84.8	129.6	-176.1	-67.8	-21.5	0	0	0	107.9
3	S	38.4	Very low	47.8	Very low	81 Å²	81	133.6 Å²	133.6	57%	0.566	71%	0.71	S	S	*	*			trans	-53.7	146.1	162.2	68.5	0	0	0	0	108.2	K5	S3-K5 VanDerWaalsContact C-N 3.27Å; S3-K5 PolarHBondContact O-N 2.91Å; S3-K5 WeakPolarHBondContact OG-CG 3.39Å
4	I	43.8	Very low	49.4	Very low	142 Å²	142	127.4 Å²	127.4	73%	0.728	69%	0.693	S	S	*	*			trans	-64.1	93.5	174.7	-58.6	172.5	0	0	0	106.7
5	K	43.5	Very low	51.5	Low	148 Å²	148	123 Å²	123	64%	0.643	66%	0.663	S	S	*	*			trans	-90.3	-0.2	179.4	-72.6	-171	175.9	-174.5	0	112.7	S3 F7	S3-K5 VanDerWaalsContact C-N 3.27Å; S3-K5 PolarHBondContact O-N 2.91Å; S3-K5 WeakPolarHBondContact OG-CG 3.39Å; K5-F7 VanDerWaalsContact C-N 3.31Å; K5-F7 PolarHBondContact O-N 3Å
6	S	50.1	Low	53.7	Low	75 Å²	75	120.9 Å²	120.9	52%	0.524	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	3.3	-162.3	79.6	0	0	0	0	116.4
7	F	49.3	Very low	55.8	Low	137 Å²	137	119.8 Å²	119.8	60%	0.601	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	7.1	-179.5	-59.3	-66.5	0	0	0	115	K5 R15	K5-F7 VanDerWaalsContact C-N 3.31Å; K5-F7 PolarHBondContact O-N 3Å; F7-R15 PolarHBondContact O-NH1 3.11Å
8	S	50.4	Low	57.7	Low	47 Å²	47	114.3 Å²	114.3	33%	0.329	61%	0.612	S	S	.	*			trans	-123.2	11.8	-176.2	37.7	0	0	0	0	113.8	H10 A11	S8-H10 PolarHBondContact O-N 3.18Å; S8-A11 PolarHBondContact O-N 3.08Å
9	D	52.2	Low	59.5	Low	131 Å²	131	111.4 Å²	111.4	70%	0.701	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-13.9	-179.8	-74.5	-25.4	0	0	0	114.1
10	H	53.6	Low	61.2	Low	192 Å²	192	106.8 Å²	106.8	89%	0.889	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-4.2	178.6	-60.8	-30.4	0	0	0	114.9	S8	S8-H10 PolarHBondContact O-N 3.18Å
11	A	55.1	Low	62.8	Low	38 Å²	38	103.3 Å²	103.3	31%	0.314	55%	0.552	S	S	.	*			trans	-112.6	110.5	-176.3	0	0	0	0	0	111	S8 C13 G14	S8-A11 PolarHBondContact O-N 3.08Å; A11-C13 PolarHBondContact O-N 2.77Å; A11-C13 VanDerWaalsContact O-N 3.08Å; A11-G14 VanDerWaalsContact CB-O 3.26Å; A11-G14 WeakPolarHBondContact CB-O 3.26Å; A11-G14 PolarHBondContact O-N 3.46Å
12	Q	55.6	Low	65.5	Low	214 Å²	214	92.5 Å²	92.5	100%	1	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.9	179.7	-73.7	-176.7	-4.8	0	0	113.9
13	C	61.5	Low	68.4	Low	131 Å²	131	86.2 Å²	86.2	89%	0.885	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	14.4	-174	-155	0	0	0	0	114	A11	A11-C13 PolarHBondContact O-N 2.77Å; A11-C13 VanDerWaalsContact O-N 3.08Å
14	G	70.4	Confident	71.2	Confident	47 Å²	47	83.3 Å²	83.3	49%	0.485	45%	0.453	S	S	.	.			trans	77.6	-179.2	-165.4	0	0	0	0	0	111.9	A11	A11-G14 VanDerWaalsContact CB-O 3.26Å; A11-G14 WeakPolarHBondContact CB-O 3.26Å; A11-G14 PolarHBondContact O-N 3.46Å
15	R	80.7	Confident	73.6	Confident	61 Å²	61	78 Å²	78	23%	0.23	43%	0.428	C	S	.	.			trans	-134.8	152.1	-177.4	73.8	-177.8	-160.7	158.5	9.6	111.2	F7 E17 H50	F7-R15 PolarHBondContact O-NH1 3.11Å; R15-E17 HydrophobicContact CG-CG 3.84Å; R15-E17 IonicContact CZ-OE1 3.83Å; R15-E17 VanDerWaalsContact CZ-OE1 3.24Å; R15-E17 IonicContact NE-OE1 2.7Å; R15-E17 PolarHBondContact NE-OE1 3.12Å; R15-E17 IonicContact NH2-OE1 3.3Å; R15-E17 PolarHBondContact NH2-OE1 3.42Å; R15-E17 PolarHBondContact O-N 3.23Å; R15-H50 PolarHBondContact NH1-CD2 3.28Å; R15-H50 PolarHBondContact NH1-CE1 3.08Å; R15-H50 VanDerWaalsContact NH1-CE1 3.25Å; R15-H50 PolarHBondContact NH1-ND1 3.25Å; R15-H50 PolarHBondContact NH1-NE2 2.88Å; R15-H50 VanDerWaalsContact NH1-NE2 3.11Å; R15-H50 PolarHBondContact NH2-CD2 2.92Å; R15-H50 PolarHBondContact NH2-NE2 3.03Å
16	L	87.4	Confident	76	Confident	90 Å²	90	71.3 Å²	71.3	47%	0.471	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.6	172.6	-63.6	180	0	0	0	109	D47 I49 H50	L16-D47 HydrophobicContact CD1-CB 3.63Å; L16-I49 HydrophobicContact CB-CG1 4.32Å; L16-I49 HydrophobicContact CD1-CG1 4.2Å; L16-H50 PolarHBondContact O-N 2.75Å
17	E	88.6	Confident	77.9	Confident	102 Å²	102	74.5 Å²	74.5	48%	0.477	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.2	179.2	-64.1	-166.4	145.8	0	0	110	R15 H50 V52	R15-E17 HydrophobicContact CG-CG 3.84Å; R15-E17 IonicContact CZ-OE1 3.83Å; R15-E17 VanDerWaalsContact CZ-OE1 3.24Å; R15-E17 IonicContact NE-OE1 2.7Å; R15-E17 PolarHBondContact NE-OE1 3.12Å; R15-E17 IonicContact NH2-OE1 3.3Å; R15-E17 PolarHBondContact NH2-OE1 3.42Å; R15-E17 PolarHBondContact O-N 3.23Å; E17-H50 WeakPolarHBondContact CA-O 3.02Å; E17-V52 HydrophobicContact CB-CG2 3.71Å; E17-V52 HydrophobicContact CG-CG2 3.79Å
18	V	91.1	Very high	79.8	Confident	20 Å²	20	75.4 Å²	75.4	12%	0.121	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.4	173.9	68.7	0	0	0	0	110.5	L20 F42 I49 H50 L51 V52	V18-L20 HydrophobicContact CG2-CD2 3.82Å; V18-L20 HydrophobicContact CG2-CG 4.05Å; V18-F42 HydrophobicContact CG2-CD2 4.33Å; V18-F42 HydrophobicContact CG2-CE1 4.24Å; V18-F42 HydrophobicContact CG2-CE2 3.84Å; V18-F42 HydrophobicContact CG2-CZ 3.78Å; V18-I49 HydrophobicContact CB-CG2 3.89Å; V18-I49 HydrophobicContact CG1-CG2 3.63Å; V18-H50 PolarHBondContact N-O 3.3Å; V18-L51 HydrophobicContact CG1-CB 4Å; V18-L51 HydrophobicContact CG1-CD1 3.8Å; V18-V52 PolarHBondContact O-N 3.47Å
19	H	91.5	Very high	81.9	Confident	60 Å²	60	77.6 Å²	77.6	28%	0.278	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112.7	173.3	-62.7	-99.3	0	0	0	108.1	V52 T53 I84	H19-V52 VanDerWaalsContact CE1-CB 3.47Å; H19-V52 WeakPolarHBondContact CE1-CB 3.48Å; H19-V52 WeakPolarHBondContact CE1-CG1 3.46Å; H19-T53 VanDerWaalsContact ND1-CB 3.31Å; H19-T53 WeakPolarHBondContact ND1-CB 3.49Å; H19-T53 PolarHBondContact ND1-OG1 2.89Å; H19-I84 WeakPolarHBondContact ND1-CD1 3.35Å
20	L	93.6	Very high	83.8	Confident	19 Å²	19	74.4 Å²	74.4	10%	0.099	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.3	177.5	-60.9	-179.5	0	0	0	108.6	V18 L39 F42 L51 T53 L54 C55 V56	V18-L20 HydrophobicContact CG2-CD2 3.82Å; V18-L20 HydrophobicContact CG2-CG 4.05Å; L20-L39 HydrophobicContact CD1-CD2 3.62Å; L20-L39 HydrophobicContact CD1-CG 4.23Å; L20-F42 HydrophobicContact CD1-CD2 4.44Å; L20-F42 HydrophobicContact CD1-CE2 4.21Å; L20-F42 HydrophobicContact CD2-CE2 3.77Å; L20-F42 HydrophobicContact CD2-CZ 4.37Å; L20-F42 HydrophobicContact CG-CE2 4.49Å; L20-L51 HydrophobicContact CD1-CD1 4.21Å; L20-L51 HydrophobicContact CG-CD1 4.21Å; L20-T53 PolarHBondContact N-O 2.93Å; L20-L54 HydrophobicContact CB-CD1 3.92Å; L20-L54 HydrophobicContact CD1-CD1 4.08Å; L20-L54 WeakPolarHBondContact O-CA 3.38Å; L20-C55 PolarHBondContact O-N 3.46Å; L20-V56 HydrophobicContact CB-CG1 3.98Å
21	V	93.9	Very high	85.8	Confident	33 Å²	33	66.1 Å²	66.1	20%	0.2	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.3	-179.9	-173	0	0	0	0	109.8	T53 C55 I72 I75	V21-T53 HydrophobicContact CG2-CG2 3.97Å; V21-C55 VanDerWaalsContact CA-O 3.27Å; V21-C55 WeakPolarHBondContact CA-O 3.35Å; V21-C55 HydrophobicContact CG1-CB 4.15Å; V21-C55 HydrophobicContact CG2-CB 4.22Å; V21-I72 HydrophobicContact CG1-CB 4.14Å; V21-I72 HydrophobicContact CG1-CD1 4.13Å; V21-I72 HydrophobicContact CG1-CG2 3.84Å; V21-I75 HydrophobicContact CB-CD1 4.12Å; V21-I75 HydrophobicContact CB-CG1 4.3Å; V21-I75 HydrophobicContact CB-CG2 3.92Å; V21-I75 HydrophobicContact CG1-CG2 3.66Å; V21-I75 HydrophobicContact CG2-CD1 3.86Å; V21-I75 HydrophobicContact CG2-CG2 4.2Å
22	G	92.9	Very high	87.7	Confident	14 Å²	14	69.5 Å²	69.5	14%	0.144	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	122.4	-177	-179.5	0	0	0	0	0	112.4	C55 V56 N60	G22-C55 PolarHBondContact N-O 3.39Å; G22-V56 VanDerWaalsContact O-CA 3.23Å; G22-V56 WeakPolarHBondContact O-CA 3.23Å; G22-V56 WeakPolarHBondContact O-CB 3.27Å; G22-V56 WeakPolarHBondContact O-CG1 3.48Å; G22-N60 WeakPolarHBondContact CA-ND2 3.47Å
23	G	93.8	Very high	89.7	Confident	29 Å²	29	65.6 Å²	65.6	30%	0.299	35%	0.35	S	S	.	.			trans	65.6	160.9	-165.9	0	0	0	0	0	111.5	S31 N60	G23-S31 WeakPolarHBondContact CA-OG 3.34Å; G23-N60 WeakPolarHBondContact O-CB 3.46Å; G23-N60 PolarHBondContact O-ND2 2.84Å
24	F	96.1	Very high	91.3	Very high	20 Å²	20	64 Å²	64	9%	0.088	33%	0.332	C	S	.	.			trans	-152.2	-172.5	179.5	67.7	-76.7	0	0	0	108.6	D26 S31 H68 P70 A154	F24-D26 HydrophobicContact CD2-CB 4.5Å; F24-D26 HydrophobicContact CE1-CB 4.06Å; F24-D26 HydrophobicContact CE2-CB 3.98Å; F24-D26 HydrophobicContact CZ-CB 3.74Å; F24-D26 PolarHBondContact O-N 2.75Å; F24-S31 PolarHBondContact N-OG 2.78Å; F24-S31 WeakPolarHBondContact O-CB 3.46Å; F24-S31 PolarHBondContact O-OG 2.9Å; F24-H68 HydrophobicContact CD2-CB 3.93Å; F24-H68 HydrophobicContact CE2-CB 4.03Å; F24-H68 WeakPolarHBondContact CE2-O 3.44Å; F24-P70 HydrophobicContact CB-CB 3.98Å; F24-P70 HydrophobicContact CD1-CB 4.04Å; F24-P70 HydrophobicContact CD1-CG 4.03Å; F24-P70 HydrophobicContact CE1-CG 4.47Å; F24-P70 HydrophobicContact CG-CB 4.17Å; F24-P70 HydrophobicContact CG-CG 4.42Å; F24-A154 HydrophobicContact CZ-CB 4.19Å
25	S	95.5	Very high	92.5	Very high	31 Å²	31	62.7 Å²	62.7	22%	0.217	32%	0.315	C	S	.	.			trans	-76.7	64.6	177.3	-59.1	0	0	0	0	111.1	D61 H68	S25-D61 VanDerWaalsContact CB-OD1 3.31Å; S25-D61 WeakPolarHBondContact CB-OD1 3.41Å; S25-D61 PolarHBondContact N-OD1 3.36Å; S25-H68 WeakPolarHBondContact O-CB 3.44Å
26	D	92.8	Very high	93.3	Very high	7 Å²	7	65.8 Å²	65.8	4%	0.037	33%	0.332	C	S	.	.			trans	-71.7	143.8	-179.7	72.7	94.6	0	0	0	112.6	F24 R28 Q29 L30 S31	F24-D26 HydrophobicContact CD2-CB 4.5Å; F24-D26 HydrophobicContact CE1-CB 4.06Å; F24-D26 HydrophobicContact CE2-CB 3.98Å; F24-D26 HydrophobicContact CZ-CB 3.74Å; F24-D26 PolarHBondContact O-N 2.75Å; D26-R28 PolarHBondContact O-N 3.27Å; D26-R28 PolarHBondContact OD1-N 3.24Å; D26-Q29 PolarHBondContact O-N 2.85Å; D26-Q29 PolarHBondContact O-NE2 2.87Å; D26-Q29 PolarHBondContact OD1-N 3.26Å; D26-L30 PolarHBondContact OD1-N 2.84Å; D26-L30 PolarHBondContact OD2-N 3.09Å; D26-S31 WeakPolarHBondContact OD2-CA 3.26Å; D26-S31 WeakPolarHBondContact OD2-CB 3.3Å; D26-S31 PolarHBondContact OD2-N 3.24Å; D26-S31 PolarHBondContact OD2-OG 2.91Å
27	D	89.7	Confident	93.8	Very high	141 Å²	141	66 Å²	66	75%	0.754	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.2	-176.2	-62.2	-22.2	0	0	0	113.7	Q29	D27-Q29 VanDerWaalsContact C-N 3.34Å
28	R	90.2	Very high	94.1	Very high	156 Å²	156	64.3 Å²	64.3	59%	0.589	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-1	-177.7	-63.6	175.9	62.5	-179.8	-1.2	112.7	D26 L30	D26-R28 PolarHBondContact O-N 3.27Å; D26-R28 PolarHBondContact OD1-N 3.24Å; R28-L30 HydrophobicContact CB-CD1 4.04Å; R28-L30 HydrophobicContact CB-CG 3.75Å; R28-L30 PolarHBondContact O-N 2.85Å; R28-L30 VanDerWaalsContact O-N 3.12Å
29	Q	92.9	Very high	94.4	Very high	94 Å²	94	66.4 Å²	66.4	44%	0.439	33%	0.334	S	S	.	.			trans	53.5	27.4	-177.1	-59.6	-65.1	-34.4	0	0	113	D26 D27 Q32 K33	D26-Q29 PolarHBondContact O-N 2.85Å; D26-Q29 PolarHBondContact O-NE2 2.87Å; D26-Q29 PolarHBondContact OD1-N 3.26Å; D27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-Q32 VanDerWaalsContact OE1-OE1 3.12Å; Q29-K33 WeakPolarHBondContact O-CB 3.47Å; Q29-K33 PolarHBondContact O-N 2.89Å
30	L	93.2	Very high	94.6	Very high	64 Å²	64	64.8 Å²	64.8	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-69.1	-41.2	-179	-67.8	175.8	0	0	0	110.7	D26 R28 K33 L34 T150	D26-L30 PolarHBondContact OD1-N 2.84Å; D26-L30 PolarHBondContact OD2-N 3.09Å; R28-L30 HydrophobicContact CB-CD1 4.04Å; R28-L30 HydrophobicContact CB-CG 3.75Å; R28-L30 PolarHBondContact O-N 2.85Å; R28-L30 VanDerWaalsContact O-N 3.12Å; L30-K33 PolarHBondContact O-N 3.36Å; L30-L34 VanDerWaalsContact O-CB 3.3Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 PolarHBondContact O-N 2.94Å; L30-T150 HydrophobicContact CD1-CG2 4.23Å
31	S	95.1	Very high	94.7	Very high	17 Å²	17	68.7 Å²	68.7	12%	0.119	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-43.8	177.6	-57.5	0	0	0	0	111.1	G23 F24 D26 L34 T35	G23-S31 WeakPolarHBondContact CA-OG 3.34Å; F24-S31 PolarHBondContact N-OG 2.78Å; F24-S31 WeakPolarHBondContact O-CB 3.46Å; F24-S31 PolarHBondContact O-OG 2.9Å; D26-S31 WeakPolarHBondContact OD2-CA 3.26Å; D26-S31 WeakPolarHBondContact OD2-CB 3.3Å; D26-S31 PolarHBondContact OD2-N 3.24Å; D26-S31 PolarHBondContact OD2-OG 2.91Å; S31-L34 PolarHBondContact O-N 3.21Å; S31-T35 VanDerWaalsContact O-CB 3.25Å; S31-T35 WeakPolarHBondContact O-CB 3.46Å; S31-T35 PolarHBondContact O-N 3.1Å; S31-T35 PolarHBondContact O-OG1 2.84Å
32	Q	95.8	Very high	94.7	Very high	109 Å²	109	70.4 Å²	70.4	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-47.2	177.6	-169	-174.7	40.3	0	0	111.2	Q29 L34 T35 H36 T57	Q29-Q32 VanDerWaalsContact OE1-OE1 3.12Å; Q32-L34 PolarHBondContact O-N 3.49Å; Q32-T35 PolarHBondContact O-N 3.33Å; Q32-H36 PolarHBondContact O-N 2.82Å; Q32-T57 HydrophobicContact CB-CG2 4.15Å
33	K	96.7	Very high	94.8	Very high	133 Å²	133	76.6 Å²	76.6	58%	0.578	38%	0.382	S	S	*	.	H	α-helix	trans	-60.3	-46.4	177.7	-175.8	179.4	178.5	-178.6	0	111.9	Q29 L30 H36 Q37	Q29-K33 WeakPolarHBondContact O-CB 3.47Å; Q29-K33 PolarHBondContact O-N 2.89Å; L30-K33 PolarHBondContact O-N 3.36Å; K33-H36 PolarHBondContact O-N 2.84Å; K33-Q37 VanDerWaalsContact O-CG 3.3Å; K33-Q37 WeakPolarHBondContact O-CG 3.23Å; K33-Q37 PolarHBondContact O-N 3.01Å
34	L	95.2	Very high	94.9	Very high	96 Å²	96	82.5 Å²	82.5	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-65.2	-42.3	179.3	-179.3	60.3	0	0	0	111.3	L30 S31 Q32 H36 Q37 L38	L30-L34 VanDerWaalsContact O-CB 3.3Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 PolarHBondContact O-N 2.94Å; S31-L34 PolarHBondContact O-N 3.21Å; Q32-L34 PolarHBondContact O-N 3.49Å; L34-H36 PolarHBondContact O-N 3.36Å; L34-Q37 WeakPolarHBondContact O-CB 3.47Å; L34-Q37 PolarHBondContact O-N 3.01Å; L34-L38 HydrophobicContact CD1-CD1 4.47Å; L34-L38 HydrophobicContact CD1-CG 4.32Å; L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 HydrophobicContact CG-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.92Å
35	T	96.7	Very high	94.8	Very high	20 Å²	20	86 Å²	86	12%	0.123	41%	0.412	C	S	.	.	H	α-helix	trans	-58.5	-47.7	176	-63.1	0	0	0	0	111.1	S31 Q32 Q37 L38 L39 V56	S31-T35 VanDerWaalsContact O-CB 3.25Å; S31-T35 WeakPolarHBondContact O-CB 3.46Å; S31-T35 PolarHBondContact O-N 3.1Å; S31-T35 PolarHBondContact O-OG1 2.84Å; Q32-T35 PolarHBondContact O-N 3.33Å; T35-Q37 VanDerWaalsContact C-N 3.34Å; T35-Q37 PolarHBondContact O-N 3.04Å; T35-L38 PolarHBondContact O-N 3.27Å; T35-L39 HydrophobicContact CG2-CD1 4.04Å; T35-L39 WeakPolarHBondContact O-CG 3.47Å; T35-L39 PolarHBondContact O-N 3.38Å; T35-V56 HydrophobicContact CG2-CB 4.28Å; T35-V56 HydrophobicContact CG2-CG2 3.58Å
36	H	96.9	Very high	94.6	Very high	126 Å²	126	94.1 Å²	94.1	58%	0.583	45%	0.447	S	S	*	.	H	α-helix	trans	-60.9	-43.6	176.6	-179.6	-75.8	0	0	0	111.8	Q32 K33 L34 S40	Q32-H36 PolarHBondContact O-N 2.82Å; K33-H36 PolarHBondContact O-N 2.84Å; L34-H36 PolarHBondContact O-N 3.36Å; H36-S40 PolarHBondContact CE1-OG 3.24Å; H36-S40 VanDerWaalsContact CE1-OG 3.23Å; H36-S40 PolarHBondContact ND1-OG 2.87Å; H36-S40 VanDerWaalsContact O-CB 3.31Å; H36-S40 WeakPolarHBondContact O-CB 3.31Å; H36-S40 PolarHBondContact O-N 2.86Å; H36-S40 PolarHBondContact O-OG 2.94Å
37	Q	97.1	Very high	94.4	Very high	94 Å²	94	98.9 Å²	98.9	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-59.4	-48.4	176.1	-74.1	175.2	-31.4	0	0	111.3	K33 L34 T35 S40 E41	K33-Q37 VanDerWaalsContact O-CG 3.3Å; K33-Q37 WeakPolarHBondContact O-CG 3.23Å; K33-Q37 PolarHBondContact O-N 3.01Å; L34-Q37 WeakPolarHBondContact O-CB 3.47Å; L34-Q37 PolarHBondContact O-N 3.01Å; T35-Q37 VanDerWaalsContact C-N 3.34Å; T35-Q37 PolarHBondContact O-N 3.04Å; Q37-S40 PolarHBondContact O-N 3.15Å; Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 3.43Å
38	L	96.1	Very high	94.3	Very high	67 Å²	67	98.8 Å²	98.8	35%	0.351	47%	0.471	S	S	.	.	H	α-helix	trans	-59.1	-50.7	178.3	-72.2	171.8	0	0	0	111.8	L34 T35 S40 E41 F42	L34-L38 HydrophobicContact CD1-CD1 4.47Å; L34-L38 HydrophobicContact CD1-CG 4.32Å; L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 HydrophobicContact CG-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.92Å; T35-L38 PolarHBondContact O-N 3.27Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.96Å; L38-E41 PolarHBondContact O-N 3.37Å; L38-E41 VanDerWaalsContact O-N 3.11Å; L38-F42 HydrophobicContact CB-CE2 4.07Å; L38-F42 WeakPolarHBondContact O-CD2 3.39Å; L38-F42 WeakPolarHBondContact O-CG 3.42Å; L38-F42 PolarHBondContact O-N 3.45Å
39	L	96.1	Very high	94.4	Very high	64 Å²	64	93.4 Å²	93.4	34%	0.335	45%	0.454	S	S	.	.	H	α-helix	trans	-59.1	-41.7	177.7	-69.9	173.3	0	0	0	111.9	L20 T35 E41 F42 D43 L51	L20-L39 HydrophobicContact CD1-CD2 3.62Å; L20-L39 HydrophobicContact CD1-CG 4.23Å; T35-L39 HydrophobicContact CG2-CD1 4.04Å; T35-L39 WeakPolarHBondContact O-CG 3.47Å; T35-L39 PolarHBondContact O-N 3.38Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 2.98Å; L39-F42 PolarHBondContact O-N 3.22Å; L39-D43 WeakPolarHBondContact O-CB 3.37Å; L39-D43 PolarHBondContact O-N 3.37Å; L39-L51 HydrophobicContact CD2-CD2 4.26Å
40	S	96.8	Very high	94.3	Very high	26 Å²	26	92.7 Å²	92.7	18%	0.182	45%	0.451	C	S	.	.	H	α-helix	trans	-67	-31.2	177.2	-55.9	0	0	0	0	112.6	H36 Q37 L38 R44	H36-S40 PolarHBondContact CE1-OG 3.24Å; H36-S40 VanDerWaalsContact CE1-OG 3.23Å; H36-S40 PolarHBondContact ND1-OG 2.87Å; H36-S40 VanDerWaalsContact O-CB 3.31Å; H36-S40 WeakPolarHBondContact O-CB 3.31Å; H36-S40 PolarHBondContact O-N 2.86Å; H36-S40 PolarHBondContact O-OG 2.94Å; Q37-S40 PolarHBondContact O-N 3.15Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.96Å; S40-R44 VanDerWaalsContact C-NH1 3.26Å; S40-R44 VanDerWaalsContact CB-NH1 3.27Å; S40-R44 VanDerWaalsContact O-CG 3.27Å; S40-R44 WeakPolarHBondContact O-CG 3.27Å; S40-R44 PolarHBondContact O-NH1 3.11Å
41	E	95.8	Very high	94.2	Very high	102 Å²	102	93.1 Å²	93.1	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-76.6	-36.7	176	-70	-49.6	121.6	0	0	111.7	Q37 L38 L39 R44 Q45	Q37-E41 WeakPolarHBondContact O-CG 3.42Å; Q37-E41 PolarHBondContact O-N 3.43Å; L38-E41 PolarHBondContact O-N 3.37Å; L38-E41 VanDerWaalsContact O-N 3.11Å; L39-E41 VanDerWaalsContact C-N 3.31Å; L39-E41 PolarHBondContact O-N 2.98Å; E41-R44 PolarHBondContact O-N 2.92Å; E41-R44 IonicContact OE1-CZ 3.24Å; E41-R44 IonicContact OE1-NH1 2.84Å; E41-R44 PolarHBondContact OE1-NH1 3.02Å; E41-Q45 WeakPolarHBondContact O-CG 3.3Å; E41-Q45 PolarHBondContact O-NE2 3.16Å
42	F	94.1	Very high	94.1	Very high	68 Å²	68	95.1 Å²	95.1	30%	0.298	46%	0.464	S	S	.	.	H	α-helix	trans	-65.7	-41.7	173.6	-66.6	-53.6	0	0	0	112.4	V18 L20 L38 L39 R44 Q45 I49	V18-F42 HydrophobicContact CG2-CD2 4.33Å; V18-F42 HydrophobicContact CG2-CE1 4.24Å; V18-F42 HydrophobicContact CG2-CE2 3.84Å; V18-F42 HydrophobicContact CG2-CZ 3.78Å; L20-F42 HydrophobicContact CD1-CD2 4.44Å; L20-F42 HydrophobicContact CD1-CE2 4.21Å; L20-F42 HydrophobicContact CD2-CE2 3.77Å; L20-F42 HydrophobicContact CD2-CZ 4.37Å; L20-F42 HydrophobicContact CG-CE2 4.49Å; L38-F42 HydrophobicContact CB-CE2 4.07Å; L38-F42 WeakPolarHBondContact O-CD2 3.39Å; L38-F42 WeakPolarHBondContact O-CG 3.42Å; L38-F42 PolarHBondContact O-N 3.45Å; L39-F42 PolarHBondContact O-N 3.22Å; F42-R44 PolarHBondContact O-N 3.03Å; F42-Q45 PolarHBondContact O-N 2.8Å; F42-Q45 VanDerWaalsContact O-N 3.15Å; F42-I49 HydrophobicContact CB-CD1 4.44Å; F42-I49 HydrophobicContact CD1-CD1 3.92Å; F42-I49 HydrophobicContact CD1-CG2 4.45Å
43	D	93.8	Very high	93.8	Very high	144 Å²	144	92.3 Å²	92.3	77%	0.77	45%	0.454	S	S	*	.	H	α-helix	trans	-62.4	-24	177.6	-174.5	67.7	0	0	0	113.3	L39	L39-D43 WeakPolarHBondContact O-CB 3.37Å; L39-D43 PolarHBondContact O-N 3.37Å
44	R	95.7	Very high	93.7	Very high	154 Å²	154	89.2 Å²	89.2	58%	0.581	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.9	178.4	-74.5	179.2	-173.5	104	-1.4	114.4	S40 E41 F42	S40-R44 VanDerWaalsContact C-NH1 3.26Å; S40-R44 VanDerWaalsContact CB-NH1 3.27Å; S40-R44 VanDerWaalsContact O-CG 3.27Å; S40-R44 WeakPolarHBondContact O-CG 3.27Å; S40-R44 PolarHBondContact O-NH1 3.11Å; E41-R44 PolarHBondContact O-N 2.92Å; E41-R44 IonicContact OE1-CZ 3.24Å; E41-R44 IonicContact OE1-NH1 2.84Å; E41-R44 PolarHBondContact OE1-NH1 3.02Å; F42-R44 PolarHBondContact O-N 3.03Å
45	Q	93.9	Very high	93.7	Very high	93 Å²	93	86 Å²	86	44%	0.435	43%	0.429	S	S	.	.			trans	-71.5	146.3	-179.2	-57.1	-52.1	-62.8	0	0	110.2	E41 F42 D47 I49	E41-Q45 WeakPolarHBondContact O-CG 3.3Å; E41-Q45 PolarHBondContact O-NE2 3.16Å; F42-Q45 PolarHBondContact O-N 2.8Å; F42-Q45 VanDerWaalsContact O-N 3.15Å; Q45-D47 VanDerWaalsContact C-N 3.28Å; Q45-I49 HydrophobicContact CB-CD1 3.71Å; Q45-I49 HydrophobicContact CG-CD1 3.6Å
46	E	92.7	Very high	93.7	Very high	202 Å²	202	85.5 Å²	85.5	94%	0.944	43%	0.426	S	S	*	.	S	Bend	trans	-73.1	-26.4	174.2	-64.5	-174.5	172	0	0	111.8
47	D	88.9	Confident	93.6	Very high	107 Å²	107	80.1 Å²	80.1	57%	0.572	40%	0.402	S	S	*	.	S	Bend	trans	-71.6	144.4	176.5	-63.6	-64	0	0	0	111.8	L16 Q45 I49	L16-D47 HydrophobicContact CD1-CB 3.63Å; Q45-D47 VanDerWaalsContact C-N 3.28Å; D47-I49 HydrophobicContact CB-CG1 4.49Å; D47-I49 PolarHBondContact O-N 2.88Å; D47-I49 VanDerWaalsContact O-N 3.09Å
48	D	87.6	Confident	93.6	Very high	138 Å²	138	81.9 Å²	81.9	74%	0.738	41%	0.41	S	S	*	.			trans	-73.8	99.9	172.7	-174.7	14.1	0	0	0	110.3
49	I	91.1	Very high	93.6	Very high	44 Å²	44	84 Å²	84	23%	0.226	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.7	179.6	-60	176.5	0	0	0	109.6	L16 V18 F42 Q45 D47	L16-I49 HydrophobicContact CB-CG1 4.32Å; L16-I49 HydrophobicContact CD1-CG1 4.2Å; V18-I49 HydrophobicContact CB-CG2 3.89Å; V18-I49 HydrophobicContact CG1-CG2 3.63Å; F42-I49 HydrophobicContact CB-CD1 4.44Å; F42-I49 HydrophobicContact CD1-CD1 3.92Å; F42-I49 HydrophobicContact CD1-CG2 4.45Å; Q45-I49 HydrophobicContact CB-CD1 3.71Å; Q45-I49 HydrophobicContact CG-CD1 3.6Å; D47-I49 HydrophobicContact CB-CG1 4.49Å; D47-I49 PolarHBondContact O-N 2.88Å; D47-I49 VanDerWaalsContact O-N 3.09Å
50	H	90.4	Very high	93.6	Very high	79 Å²	79	81 Å²	81	37%	0.366	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.8	-179.5	-168	91.6	0	0	0	112.1	R15 L16 E17 V18 V52	R15-H50 PolarHBondContact NH1-CD2 3.28Å; R15-H50 PolarHBondContact NH1-CE1 3.08Å; R15-H50 VanDerWaalsContact NH1-CE1 3.25Å; R15-H50 PolarHBondContact NH1-ND1 3.25Å; R15-H50 PolarHBondContact NH1-NE2 2.88Å; R15-H50 VanDerWaalsContact NH1-NE2 3.11Å; R15-H50 PolarHBondContact NH2-CD2 2.92Å; R15-H50 PolarHBondContact NH2-NE2 3.03Å; L16-H50 PolarHBondContact O-N 2.75Å; E17-H50 WeakPolarHBondContact CA-O 3.02Å; V18-H50 PolarHBondContact N-O 3.3Å; H50-V52 PolarHBondContact O-N 3.49Å
51	L	92.5	Very high	93.6	Very high	72 Å²	72	81.3 Å²	81.3	38%	0.377	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	107.2	172.6	-179.4	62.5	0	0	0	110.8	V18 L20 L39 T53 L54	V18-L51 HydrophobicContact CG1-CB 4Å; V18-L51 HydrophobicContact CG1-CD1 3.8Å; L20-L51 HydrophobicContact CD1-CD1 4.21Å; L20-L51 HydrophobicContact CG-CD1 4.21Å; L39-L51 HydrophobicContact CD2-CD2 4.26Å; L51-T53 WeakPolarHBondContact CD1-O 3.39Å; L51-L54 HydrophobicContact CD1-CB 4.36Å; L51-L54 HydrophobicContact CD1-CD1 4.43Å; L51-L54 HydrophobicContact CD2-CB 4.22Å; L51-L54 HydrophobicContact CD2-CD1 4.37Å; L51-L54 HydrophobicContact CD2-CD2 4.3Å
52	V	91.4	Very high	93.6	Very high	59 Å²	59	81 Å²	81	36%	0.358	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-39.2	-179	-178.1	0	0	0	0	111.9	E17 V18 H19 H50	E17-V52 HydrophobicContact CB-CG2 3.71Å; E17-V52 HydrophobicContact CG-CG2 3.79Å; V18-V52 PolarHBondContact O-N 3.47Å; H19-V52 VanDerWaalsContact CE1-CB 3.47Å; H19-V52 WeakPolarHBondContact CE1-CB 3.48Å; H19-V52 WeakPolarHBondContact CE1-CG1 3.46Å; H50-V52 PolarHBondContact O-N 3.49Å
53	T	91.3	Very high	93.7	Very high	50 Å²	50	83.7 Å²	83.7	31%	0.307	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.6	-178.7	-57.4	0	0	0	0	109.9	H19 L20 V21 L51	H19-T53 VanDerWaalsContact ND1-CB 3.31Å; H19-T53 WeakPolarHBondContact ND1-CB 3.49Å; H19-T53 PolarHBondContact ND1-OG1 2.89Å; L20-T53 PolarHBondContact N-O 2.93Å; V21-T53 HydrophobicContact CG2-CG2 3.97Å; L51-T53 WeakPolarHBondContact CD1-O 3.39Å
54	L	93.9	Very high	93.7	Very high	69 Å²	69	81 Å²	81	36%	0.361	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	102.2	172.2	-172	69.3	0	0	0	108	L20 L51 V56 L59	L20-L54 HydrophobicContact CB-CD1 3.92Å; L20-L54 HydrophobicContact CD1-CD1 4.08Å; L20-L54 WeakPolarHBondContact O-CA 3.38Å; L51-L54 HydrophobicContact CD1-CB 4.36Å; L51-L54 HydrophobicContact CD1-CD1 4.43Å; L51-L54 HydrophobicContact CD2-CB 4.22Å; L51-L54 HydrophobicContact CD2-CD1 4.37Å; L51-L54 HydrophobicContact CD2-CD2 4.3Å; L54-V56 HydrophobicContact CD1-CG1 4.25Å; L54-V56 HydrophobicContact CD1-CG2 3.61Å; L54-V56 HydrophobicContact CG-CG2 3.94Å; L54-L59 WeakPolarHBondContact O-CD1 3.28Å
55	C	95.4	Very high	93.6	Very high	28 Å²	28	80.7 Å²	80.7	19%	0.189	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	76.4	176.3	-175.9	0	0	0	0	107.9	L20 V21 G22 N60	L20-C55 PolarHBondContact O-N 3.46Å; V21-C55 VanDerWaalsContact CA-O 3.27Å; V21-C55 WeakPolarHBondContact CA-O 3.35Å; V21-C55 HydrophobicContact CG1-CB 4.15Å; V21-C55 HydrophobicContact CG2-CB 4.22Å; G22-C55 PolarHBondContact N-O 3.39Å; C55-N60 WeakPolarHBondContact O-CB 3.3Å
56	V	96.4	Very high	93.5	Very high	9 Å²	9	84.4 Å²	84.4	6%	0.055	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	163.7	-173.2	-59.9	0	0	0	0	109.9	L20 G22 T35 L54 E58 L59	L20-V56 HydrophobicContact CB-CG1 3.98Å; G22-V56 VanDerWaalsContact O-CA 3.23Å; G22-V56 WeakPolarHBondContact O-CA 3.23Å; G22-V56 WeakPolarHBondContact O-CB 3.27Å; G22-V56 WeakPolarHBondContact O-CG1 3.48Å; T35-V56 HydrophobicContact CG2-CB 4.28Å; T35-V56 HydrophobicContact CG2-CG2 3.58Å; L54-V56 HydrophobicContact CD1-CG1 4.25Å; L54-V56 HydrophobicContact CD1-CG2 3.61Å; L54-V56 HydrophobicContact CG-CG2 3.94Å; V56-E58 PolarHBondContact O-N 2.94Å; V56-L59 WeakPolarHBondContact O-CB 3.46Å; V56-L59 PolarHBondContact O-N 3.27Å
57	T	95.6	Very high	93.5	Very high	14 Å²	14	77.8 Å²	77.8	9%	0.086	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	49.1	-124.7	175.2	61.7	0	0	0	0	111.4	Q32 L59 N60 D61	Q32-T57 HydrophobicContact CB-CG2 4.15Å; T57-L59 PolarHBondContact O-N 3.12Å; T57-L59 VanDerWaalsContact O-N 3.16Å; T57-N60 CarbonylContact O-C 3.47Å; T57-N60 PolarHBondContact O-N 2.8Å; T57-D61 PolarHBondContact O-N 3.23Å
58	E	95.6	Very high	93.8	Very high	131 Å²	131	75.5 Å²	75.5	61%	0.612	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-59.1	-25	-180	63.1	-95.1	-151.7	0	0	114.2	V56 N60	V56-E58 PolarHBondContact O-N 2.94Å; E58-N60 VanDerWaalsContact C-N 3.31Å
59	L	96.5	Very high	94.2	Very high	111 Å²	111	70.3 Å²	70.3	58%	0.581	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-78.7	-18.9	178.5	-60	177.5	0	0	0	112.7	L54 V56 T57	L54-L59 WeakPolarHBondContact O-CD1 3.28Å; V56-L59 WeakPolarHBondContact O-CB 3.46Å; V56-L59 PolarHBondContact O-N 3.27Å; T57-L59 PolarHBondContact O-N 3.12Å; T57-L59 VanDerWaalsContact O-N 3.16Å
60	N	96.6	Very high	94.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-112	17.7	176.3	-171.3	48.2	0	0	0	111.8	G22 G23 C55 T57 E58 P70 V71 I72	G22-N60 WeakPolarHBondContact CA-ND2 3.47Å; G23-N60 WeakPolarHBondContact O-CB 3.46Å; G23-N60 PolarHBondContact O-ND2 2.84Å; C55-N60 WeakPolarHBondContact O-CB 3.3Å; T57-N60 CarbonylContact O-C 3.47Å; T57-N60 PolarHBondContact O-N 2.8Å; E58-N60 VanDerWaalsContact C-N 3.31Å; N60-P70 CarbonylContact O-C 3.6Å; N60-P70 VanDerWaalsContact O-CA 3.29Å; N60-P70 WeakPolarHBondContact O-CA 3.49Å; N60-V71 PolarHBondContact O-N 3.3Å; N60-I72 PolarHBondContact ND2-O 2.91Å; N60-I72 WeakPolarHBondContact OD1-CA 3.5Å; N60-I72 VanDerWaalsContact OD1-CB 3.28Å; N60-I72 WeakPolarHBondContact OD1-CB 3.33Å; N60-I72 PolarHBondContact OD1-N 2.87Å
61	D	96.8	Very high	94.6	Very high	34 Å²	34	67.2 Å²	67.2	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.9	-176.1	-164.9	73.8	0	0	0	112.2	S25 T57 H68 F69	S25-D61 VanDerWaalsContact CB-OD1 3.31Å; S25-D61 WeakPolarHBondContact CB-OD1 3.41Å; S25-D61 PolarHBondContact N-OD1 3.36Å; T57-D61 PolarHBondContact O-N 3.23Å; D61-H68 WeakPolarHBondContact OD1-CB 3.36Å; D61-H68 IonicContact OD1-CG 3.44Å; D61-H68 IonicContact OD1-ND1 3.15Å; D61-H68 IonicContact OD2-CE1 3.69Å; D61-H68 IonicContact OD2-CG 3.77Å; D61-H68 IonicContact OD2-ND1 2.82Å; D61-H68 PolarHBondContact OD2-ND1 2.73Å; D61-F69 CarbonylContact C-O 3.57Å
62	R	96.1	Very high	94.5	Very high	94 Å²	94	65.2 Å²	65.2	36%	0.355	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.5	163.1	70	-176.5	-159.8	-121.1	3.1	109.4	E64 F69 P70 V71	R62-E64 IonicContact CZ-OE1 2.77Å; R62-E64 IonicContact NE-OE1 3.43Å; R62-E64 PolarHBondContact NE-OE1 3.27Å; R62-E64 IonicContact NH2-OE1 3.74Å; R62-E64 PolarHBondContact NH2-OE1 2.97Å; R62-F69 HydrophobicContact CG-CB 3.81Å; R62-F69 WeakPolarHBondContact CG-O 3.14Å; R62-F69 PolarHBondContact N-O 3.48Å; R62-F69 PolarHBondContact O-N 2.78Å; R62-P70 PolarHBondContact NH1-O 3.5Å; R62-V71 HydrophobicContact CB-CG2 3.9Å; R62-V71 HydrophobicContact CG-CG2 4.35Å
63	E	95.4	Very high	94.4	Very high	126 Å²	126	69.4 Å²	69.4	59%	0.589	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.9	177.4	-165.5	-174.2	144	0	0	110.4	N67	E63-N67 CarbonylContact C-O 3.56Å; E63-N67 WeakPolarHBondContact CA-O 3.38Å
64	E	94.6	Very high	94.2	Very high	86 Å²	86	68.1 Å²	68.1	40%	0.402	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	118.4	173.8	-61.5	177.5	-152.7	0	0	109.5	R62 E66 N67 F69	R62-E64 IonicContact CZ-OE1 2.77Å; R62-E64 IonicContact NE-OE1 3.43Å; R62-E64 PolarHBondContact NE-OE1 3.27Å; R62-E64 IonicContact NH2-OE1 3.74Å; R62-E64 PolarHBondContact NH2-OE1 2.97Å; E64-E66 PolarHBondContact O-N 3.46Å; E64-N67 PolarHBondContact N-O 2.89Å; E64-N67 WeakPolarHBondContact O-CB 3.25Å; E64-N67 PolarHBondContact O-N 2.73Å; E64-F69 HydrophobicContact CB-CD2 4.1Å; E64-F69 HydrophobicContact CB-CE2 3.79Å; E64-F69 HydrophobicContact CG-CD2 4.31Å; E64-F69 HydrophobicContact CG-CE2 4.46Å
65	N	93.4	Very high	94.1	Very high	148 Å²	148	67.1 Å²	67.1	79%	0.791	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	50.6	-178.2	-53	-56.4	0	0	0	112.8	N67	N65-N67 PolarHBondContact O-N 3.35Å; N65-N67 VanDerWaalsContact O-N 3.12Å; N65-N67 PolarHBondContact O-ND2 3.42Å
66	E	91.6	Very high	93.8	Very high	172 Å²	172	66.7 Å²	66.7	80%	0.804	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	9.9	-178.6	-50.1	178.1	162.1	0	0	114.6	E64	E64-E66 PolarHBondContact O-N 3.46Å
67	N	93.4	Very high	93.4	Very high	63 Å²	63	70 Å²	70	34%	0.337	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.3	176.2	-58.8	-75.4	0	0	0	110.8	E63 E64 N65 F69 L153	E63-N67 CarbonylContact C-O 3.56Å; E63-N67 WeakPolarHBondContact CA-O 3.38Å; E64-N67 PolarHBondContact N-O 2.89Å; E64-N67 WeakPolarHBondContact O-CB 3.25Å; E64-N67 PolarHBondContact O-N 2.73Å; N65-N67 PolarHBondContact O-N 3.35Å; N65-N67 VanDerWaalsContact O-N 3.12Å; N65-N67 PolarHBondContact O-ND2 3.42Å; N67-F69 HydrophobicContact CB-CE2 3.6Å; N67-F69 HydrophobicContact CB-CZ 3.88Å; N67-F69 WeakPolarHBondContact O-CD2 3.31Å; N67-F69 WeakPolarHBondContact O-CE2 3.36Å; N67-L153 HydrophobicContact CB-CD1 4.05Å; N67-L153 WeakPolarHBondContact OD1-CD1 3.4Å
68	H	95.2	Very high	93	Very high	59 Å²	59	71.9 Å²	71.9	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.9	-178.1	-67.8	-75.8	0	0	0	111.9	F24 S25 D61	F24-H68 HydrophobicContact CD2-CB 3.93Å; F24-H68 HydrophobicContact CE2-CB 4.03Å; F24-H68 WeakPolarHBondContact CE2-O 3.44Å; S25-H68 WeakPolarHBondContact O-CB 3.44Å; D61-H68 WeakPolarHBondContact OD1-CB 3.36Å; D61-H68 IonicContact OD1-CG 3.44Å; D61-H68 IonicContact OD1-ND1 3.15Å; D61-H68 IonicContact OD2-CE1 3.69Å; D61-H68 IonicContact OD2-CG 3.77Å; D61-H68 IonicContact OD2-ND1 2.82Å; D61-H68 PolarHBondContact OD2-ND1 2.73Å
69	F	95.3	Very high	92.3	Very high	29 Å²	29	73.2 Å²	73.2	13%	0.127	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.9	179.6	-57	-93.8	0	0	0	110.7	D61 R62 E64 N67 L153 A154	D61-F69 CarbonylContact C-O 3.57Å; R62-F69 HydrophobicContact CG-CB 3.81Å; R62-F69 WeakPolarHBondContact CG-O 3.14Å; R62-F69 PolarHBondContact N-O 3.48Å; R62-F69 PolarHBondContact O-N 2.78Å; E64-F69 HydrophobicContact CB-CD2 4.1Å; E64-F69 HydrophobicContact CB-CE2 3.79Å; E64-F69 HydrophobicContact CG-CD2 4.31Å; E64-F69 HydrophobicContact CG-CE2 4.46Å; N67-F69 HydrophobicContact CB-CE2 3.6Å; N67-F69 HydrophobicContact CB-CZ 3.88Å; N67-F69 WeakPolarHBondContact O-CD2 3.31Å; N67-F69 WeakPolarHBondContact O-CE2 3.36Å; F69-L153 HydrophobicContact CE1-CB 4.28Å; F69-L153 WeakPolarHBondContact CE1-O 3.25Å; F69-A154 HydrophobicContact CD1-CB 4.14Å
70	P	94.7	Very high	91.6	Very high	7 Å²	7	77.1 Å²	77.1	5%	0.045	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138	171.9	28.6	-31.9	0	0	0	111.5	F24 N60 R62 Y73	F24-P70 HydrophobicContact CB-CB 3.98Å; F24-P70 HydrophobicContact CD1-CB 4.04Å; F24-P70 HydrophobicContact CD1-CG 4.03Å; F24-P70 HydrophobicContact CE1-CG 4.47Å; F24-P70 HydrophobicContact CG-CB 4.17Å; F24-P70 HydrophobicContact CG-CG 4.42Å; N60-P70 CarbonylContact O-C 3.6Å; N60-P70 VanDerWaalsContact O-CA 3.29Å; N60-P70 WeakPolarHBondContact O-CA 3.49Å; R62-P70 PolarHBondContact NH1-O 3.5Å; P70-Y73 HydrophobicContact CG-CD1 3.75Å; P70-Y73 HydrophobicContact CG-CD2 4.13Å; P70-Y73 HydrophobicContact CG-CE1 3.41Å; P70-Y73 VanDerWaalsContact CG-CE1 3.41Å; P70-Y73 HydrophobicContact CG-CE2 3.8Å; P70-Y73 HydrophobicContact CG-CG 4.11Å; P70-Y73 VanDerWaalsContact CG-CZ 3.44Å
71	V	94.1	Very high	91.2	Very high	51 Å²	51	80.6 Å²	80.6	31%	0.309	40%	0.402	S	S	.	.	S	Bend	trans	-71.8	-41.5	169.6	179.1	0	0	0	0	110.2	N60 R62	N60-V71 PolarHBondContact O-N 3.3Å; R62-V71 HydrophobicContact CB-CG2 3.9Å; R62-V71 HydrophobicContact CG-CG2 4.35Å
72	I	92	Very high	90.4	Very high	30 Å²	30	82.4 Å²	82.4	15%	0.154	42%	0.421	C	S	.	.			trans	-124.6	119.8	179.6	-54.4	176.5	0	0	0	108.8	V21 N60 G74 I75 R86	V21-I72 HydrophobicContact CG1-CB 4.14Å; V21-I72 HydrophobicContact CG1-CD1 4.13Å; V21-I72 HydrophobicContact CG1-CG2 3.84Å; N60-I72 PolarHBondContact ND2-O 2.91Å; N60-I72 WeakPolarHBondContact OD1-CA 3.5Å; N60-I72 VanDerWaalsContact OD1-CB 3.28Å; N60-I72 WeakPolarHBondContact OD1-CB 3.33Å; N60-I72 PolarHBondContact OD1-N 2.87Å; I72-G74 VanDerWaalsContact CG2-O 3.3Å; I72-G74 WeakPolarHBondContact CG2-O 3.35Å; I72-I75 HydrophobicContact CG2-CG2 3.96Å; I72-R86 HydrophobicContact CG2-CG 4.45Å
73	Y	88.7	Confident	90.1	Very high	147 Å²	147	83.7 Å²	83.7	58%	0.576	43%	0.432	S	S	*	.	S	Bend	trans	-84.8	-20.4	177.6	-72	-100.4	0	0	0	112.9	P70 A154	P70-Y73 HydrophobicContact CG-CD1 3.75Å; P70-Y73 HydrophobicContact CG-CD2 4.13Å; P70-Y73 HydrophobicContact CG-CE1 3.41Å; P70-Y73 VanDerWaalsContact CG-CE1 3.41Å; P70-Y73 HydrophobicContact CG-CE2 3.8Å; P70-Y73 HydrophobicContact CG-CG 4.11Å; P70-Y73 VanDerWaalsContact CG-CZ 3.44Å; Y73-A154 PolarHBondContact OH-O 3.12Å
74	G	87.9	Confident	89.8	Confident	22 Å²	22	81 Å²	81	23%	0.227	42%	0.421	C	S	.	.			trans	-179.6	162.5	177.7	0	0	0	0	0	111.7	I72 A87	I72-G74 VanDerWaalsContact CG2-O 3.3Å; I72-G74 WeakPolarHBondContact CG2-O 3.35Å; G74-A87 PolarHBondContact O-N 3.45Å
75	I	90.9	Very high	89.6	Confident	48 Å²	48	83.1 Å²	83.1	25%	0.246	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.7	176.4	59.7	165.3	0	0	0	110.6	V21 I72 I84 Y85	V21-I75 HydrophobicContact CB-CD1 4.12Å; V21-I75 HydrophobicContact CB-CG1 4.3Å; V21-I75 HydrophobicContact CB-CG2 3.92Å; V21-I75 HydrophobicContact CG1-CG2 3.66Å; V21-I75 HydrophobicContact CG2-CD1 3.86Å; V21-I75 HydrophobicContact CG2-CG2 4.2Å; I72-I75 HydrophobicContact CG2-CG2 3.96Å; I75-I84 HydrophobicContact CB-CG2 3.96Å; I75-I84 HydrophobicContact CD1-CG2 3.91Å; I75-I84 HydrophobicContact CG2-CG2 4.13Å; I75-Y85 CarbonylContact C-O 3.55Å; I75-Y85 VanDerWaalsContact CA-O 3.3Å; I75-Y85 WeakPolarHBondContact CA-O 3.21Å
76	A	89.9	Confident	89.5	Confident	20 Å²	20	84 Å²	84	17%	0.165	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.8	168.2	0	0	0	0	0	108.7	I84 Y85 A87	A76-I84 WeakPolarHBondContact O-CA 3.31Å; A76-Y85 HydrophobicContact CB-CD2 4.02Å; A76-Y85 HydrophobicContact CB-CE1 4.13Å; A76-Y85 HydrophobicContact CB-CE2 3.46Å; A76-Y85 VanDerWaalsContact CB-CE2 3.46Å; A76-Y85 PolarHBondContact N-O 2.7Å; A76-Y85 PolarHBondContact O-N 3.3Å; A76-A87 HydrophobicContact CB-CB 4.34Å
77	V	88.1	Confident	89.4	Confident	78 Å²	78	76.9 Å²	76.9	47%	0.473	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126	-177.1	-174.1	0	0	0	0	108.8	I79 E83 I84	V77-I79 PolarHBondContact O-N 2.75Å; V77-E83 WeakPolarHBondContact CA-O 3.29Å; V77-I84 HydrophobicContact CG2-CG1 4.3Å
78	N	86.8	Confident	88.9	Confident	53 Å²	53	78.8 Å²	78.8	28%	0.283	41%	0.407	S	S	.	.			trans	-79.6	106.8	169	-177.7	-28.2	0	0	0	109	K80 T81 A82 E83 Y85	N78-K80 PolarHBondContact O-N 3.22Å; N78-K80 VanDerWaalsContact O-N 3.1Å; N78-K80 WeakPolarHBondContact OD1-CB 3.45Å; N78-K80 PolarHBondContact OD1-N 3Å; N78-T81 VanDerWaalsContact CB-OG1 3.26Å; N78-T81 WeakPolarHBondContact CB-OG1 3.31Å; N78-T81 PolarHBondContact ND2-OG1 2.85Å; N78-T81 PolarHBondContact O-N 2.98Å; N78-T81 PolarHBondContact OD1-N 3.2Å; N78-A82 VanDerWaalsContact O-CA 3.23Å; N78-A82 WeakPolarHBondContact O-CA 3.45Å; N78-A82 PolarHBondContact O-N 2.79Å; N78-E83 HydrophobicContact CB-CB 4.36Å; N78-E83 PolarHBondContact N-O 2.81Å; N78-Y85 HydrophobicContact CB-CE1 4.45Å
79	I	80.8	Confident	88.1	Confident	160 Å²	160	83 Å²	83	82%	0.821	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.4	-177.1	60.8	171.3	0	0	0	114.4	V77	V77-I79 PolarHBondContact O-N 2.75Å
80	K	82.4	Confident	87.4	Confident	193 Å²	193	91 Å²	91	84%	0.839	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-37.6	179.3	-63.6	-177	-179.1	178.5	0	112.1	N78	N78-K80 PolarHBondContact O-N 3.22Å; N78-K80 VanDerWaalsContact O-N 3.1Å; N78-K80 WeakPolarHBondContact OD1-CB 3.45Å; N78-K80 PolarHBondContact OD1-N 3Å
81	T	86.6	Confident	86.9	Confident	73 Å²	73	95.1 Å²	95.1	45%	0.448	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-11.9	-175.1	63.2	0	0	0	0	113.5	N78 E83	N78-T81 VanDerWaalsContact CB-OG1 3.26Å; N78-T81 WeakPolarHBondContact CB-OG1 3.31Å; N78-T81 PolarHBondContact ND2-OG1 2.85Å; N78-T81 PolarHBondContact O-N 2.98Å; N78-T81 PolarHBondContact OD1-N 3.2Å; T81-E83 PolarHBondContact O-N 2.78Å; T81-E83 WeakPolarHBondContact OG1-CB 3.38Å; T81-E83 WeakPolarHBondContact OG1-CG 3.48Å; T81-E83 PolarHBondContact OG1-N 3.04Å; T81-E83 PolarHBondContact OG1-OE2 2.87Å
82	A	81.6	Confident	86.7	Confident	71 Å²	71	97.6 Å²	97.6	59%	0.587	49%	0.488	S	S	*	.			trans	59.4	15.5	-168.2	0	0	0	0	0	114.3	N78	N78-A82 VanDerWaalsContact O-CA 3.23Å; N78-A82 WeakPolarHBondContact O-CA 3.45Å; N78-A82 PolarHBondContact O-N 2.79Å
83	E	88.6	Confident	86.7	Confident	121 Å²	121	97.1 Å²	97.1	57%	0.565	49%	0.491	S	S	*	.			trans	-70.3	133.4	176.9	-71.9	170.2	139.8	0	0	111	V77 N78 T81	V77-E83 WeakPolarHBondContact CA-O 3.29Å; N78-E83 HydrophobicContact CB-CB 4.36Å; N78-E83 PolarHBondContact N-O 2.81Å; T81-E83 PolarHBondContact O-N 2.78Å; T81-E83 WeakPolarHBondContact OG1-CB 3.38Å; T81-E83 WeakPolarHBondContact OG1-CG 3.48Å; T81-E83 PolarHBondContact OG1-N 3.04Å; T81-E83 PolarHBondContact OG1-OE2 2.87Å
84	I	88.8	Confident	87	Confident	71 Å²	71	90.8 Å²	90.8	36%	0.364	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.6	175.9	-54.6	179.1	0	0	0	108.6	H19 I75 A76 V77	H19-I84 WeakPolarHBondContact ND1-CD1 3.35Å; I75-I84 HydrophobicContact CB-CG2 3.96Å; I75-I84 HydrophobicContact CD1-CG2 3.91Å; I75-I84 HydrophobicContact CG2-CG2 4.13Å; A76-I84 WeakPolarHBondContact O-CA 3.31Å; V77-I84 HydrophobicContact CG2-CG1 4.3Å
85	Y	91.1	Very high	87.3	Confident	129 Å²	129	92.3 Å²	92.3	51%	0.506	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.5	177.7	54.9	-83.6	0	0	0	111	I75 A76 N78 A87	I75-Y85 CarbonylContact C-O 3.55Å; I75-Y85 VanDerWaalsContact CA-O 3.3Å; I75-Y85 WeakPolarHBondContact CA-O 3.21Å; A76-Y85 HydrophobicContact CB-CD2 4.02Å; A76-Y85 HydrophobicContact CB-CE1 4.13Å; A76-Y85 HydrophobicContact CB-CE2 3.46Å; A76-Y85 VanDerWaalsContact CB-CE2 3.46Å; A76-Y85 PolarHBondContact N-O 2.7Å; A76-Y85 PolarHBondContact O-N 3.3Å; N78-Y85 HydrophobicContact CB-CE1 4.45Å; Y85-A87 PolarHBondContact O-N 3.33Å
86	R	90.9	Very high	87.5	Confident	166 Å²	166	92.6 Å²	92.6	63%	0.626	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	129.3	177.1	-66.7	-178.7	177.6	-177.2	-3	109.5	I72	I72-R86 HydrophobicContact CG2-CG 4.45Å
87	A	89	Confident	87.7	Confident	24 Å²	24	93.5 Å²	93.5	20%	0.198	47%	0.47	C	S	.	.			trans	-73.3	134.2	179	0	0	0	0	0	110.9	G74 A76 Y85 F89	G74-A87 PolarHBondContact O-N 3.45Å; A76-A87 HydrophobicContact CB-CB 4.34Å; Y85-A87 PolarHBondContact O-N 3.33Å; A87-F89 HydrophobicContact CB-CE2 3.67Å; A87-F89 HydrophobicContact CB-CZ 3.71Å
88	S	82.9	Confident	87.9	Confident	103 Å²	103	89.8 Å²	89.8	72%	0.72	45%	0.448	S	S	*	.			trans	-138.1	125.7	166	63.7	0	0	0	0	108.3
89	F	78.5	Confident	88.2	Confident	148 Å²	148	90.3 Å²	90.3	65%	0.649	45%	0.446	S	S	*	.			trans	-112.6	105.4	-175.8	-56.5	-74.9	0	0	0	110	A87	A87-F89 HydrophobicContact CB-CE2 3.67Å; A87-F89 HydrophobicContact CB-CZ 3.71Å
90	Q	80.7	Confident	88.8	Confident	196 Å²	196	83.5 Å²	83.5	92%	0.916	41%	0.413	S	S	*	.	S	Bend	trans	-79.5	-45.6	168.3	-67.4	-178.4	-8.5	0	0	110.4
91	D	85.8	Confident	89.3	Confident	93 Å²	93	74.3 Å²	74.3	50%	0.497	37%	0.373	S	S	.	.			trans	-92.9	119.7	169.4	179.4	12.8	0	0	0	109.4	G93	D91-G93 VanDerWaalsContact C-N 3.33Å; D91-G93 WeakPolarHBondContact OD1-CA 3.3Å; D91-G93 PolarHBondContact OD1-N 2.83Å
92	R	88.3	Confident	89.6	Confident	103 Å²	103	72.7 Å²	72.7	39%	0.389	36%	0.359	S	S	.	.			trans	-91.5	0.4	178.8	-63	-179.3	179.1	-167.4	-1.5	112.6	E96 R99 H158	R92-E96 HydrophobicContact CB-CG 4.3Å; R92-E96 WeakPolarHBondContact CD-OE1 3.42Å; R92-E96 WeakPolarHBondContact CD-OE2 3.41Å; R92-E96 IonicContact CZ-OE1 2.78Å; R92-E96 IonicContact NE-OE1 3.76Å; R92-E96 IonicContact NH1-OE1 3.01Å; R92-E96 PolarHBondContact NH1-OE1 2.83Å; R92-R99 PolarHBondContact O-NH2 2.73Å; R92-H158 PolarHBondContact NH2-NE2 2.6Å
93	G	92.7	Very high	90	Very high	20 Å²	20	74.1 Å²	74.1	21%	0.206	36%	0.36	C	S	.	.			trans	77.2	173.6	178.9	0	0	0	0	0	114	D91 R99	D91-G93 VanDerWaalsContact C-N 3.33Å; D91-G93 WeakPolarHBondContact OD1-CA 3.3Å; D91-G93 PolarHBondContact OD1-N 2.83Å; G93-R99 PolarHBondContact O-NH2 3.12Å; G93-R99 VanDerWaalsContact O-NH2 3.13Å
94	P	95.1	Very high	90.1	Very high	15 Å²	15	70.2 Å²	70.2	10%	0.097	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	152.5	-175.5	-25.5	35.7	0	0	0	113.3	E96 R99 Y189 W197	P94-E96 VanDerWaalsContact C-N 3.26Å; P94-E96 PolarHBondContact O-N 2.89Å; P94-R99 PolarHBondContact O-NE 3.06Å; P94-R99 PolarHBondContact O-NH2 3.04Å; P94-Y189 HydrophobicContact CB-CD1 3.69Å; P94-Y189 HydrophobicContact CB-CD2 3.65Å; P94-Y189 HydrophobicContact CB-CE1 3.83Å; P94-Y189 HydrophobicContact CB-CE2 3.76Å; P94-Y189 HydrophobicContact CB-CG 3.63Å; P94-Y189 HydrophobicContact CG-CD1 3.66Å; P94-Y189 HydrophobicContact CG-CD2 4.06Å; P94-Y189 HydrophobicContact CG-CE1 4.27Å; P94-Y189 HydrophobicContact CG-CG 3.57Å; P94-W197 HydrophobicContact CG-CB 3.58Å; P94-W197 HydrophobicContact CG-CD2 3.89Å; P94-W197 HydrophobicContact CG-CE3 4.3Å; P94-W197 HydrophobicContact CG-CG 3.59Å
95	E	94.6	Very high	90.2	Very high	53 Å²	53	68 Å²	68	25%	0.248	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	40.8	167.7	-57.4	-65.7	175.5	0	0	113.3	Q97 L98 R99 I122 L187 Y189	E95-Q97 PolarHBondContact O-N 2.89Å; E95-L98 HydrophobicContact CB-CB 3.87Å; E95-L98 HydrophobicContact CB-CD2 4Å; E95-L98 HydrophobicContact CB-CG 4.45Å; E95-L98 HydrophobicContact CG-CD2 4.14Å; E95-L98 WeakPolarHBondContact O-CB 3.3Å; E95-L98 PolarHBondContact O-N 3.02Å; E95-R99 WeakPolarHBondContact O-CG 3.06Å; E95-R99 PolarHBondContact O-N 3.39Å; E95-R99 PolarHBondContact O-NE 3.4Å; E95-I122 HydrophobicContact CB-CD1 3.5Å; E95-I122 HydrophobicContact CG-CD1 3.84Å; E95-L187 HydrophobicContact CG-CD1 4.01Å; E95-Y189 HydrophobicContact CG-CE2 3.64Å; E95-Y189 PolarHBondContact OE1-OH 3.49Å
96	E	94.1	Very high	90.1	Very high	54 Å²	54	64.9 Å²	64.9	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-54.4	-49.1	-178.8	-176.2	-174	167.8	0	0	112.2	R92 P94 L98 R99 A100 H162	R92-E96 HydrophobicContact CB-CG 4.3Å; R92-E96 WeakPolarHBondContact CD-OE1 3.42Å; R92-E96 WeakPolarHBondContact CD-OE2 3.41Å; R92-E96 IonicContact CZ-OE1 2.78Å; R92-E96 IonicContact NE-OE1 3.76Å; R92-E96 IonicContact NH1-OE1 3.01Å; R92-E96 PolarHBondContact NH1-OE1 2.83Å; P94-E96 VanDerWaalsContact C-N 3.26Å; P94-E96 PolarHBondContact O-N 2.89Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 2.95Å; E96-R99 VanDerWaalsContact CA-NH2 3.3Å; E96-R99 PolarHBondContact O-N 2.83Å; E96-A100 VanDerWaalsContact O-CB 3.3Å; E96-A100 WeakPolarHBondContact O-CB 3.17Å; E96-A100 PolarHBondContact O-N 3.47Å; E96-H162 IonicContact OE1-CE1 2.78Å; E96-H162 PolarHBondContact OE1-CE1 3.33Å; E96-H162 IonicContact OE1-ND1 3.64Å; E96-H162 PolarHBondContact OE1-ND1 2.79Å
97	Q	93.8	Very high	89.9	Confident	40 Å²	40	58.3 Å²	58.3	19%	0.187	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-34.8	-179.5	-67.1	-56.6	-43.6	0	0	112.5	E95 A101 S165 T166 F169	E95-Q97 PolarHBondContact O-N 2.89Å; Q97-A101 WeakPolarHBondContact O-CB 3.48Å; Q97-A101 PolarHBondContact O-N 2.76Å; Q97-S165 VanDerWaalsContact OE1-C 3.29Å; Q97-S165 PolarHBondContact OE1-OG 2.77Å; Q97-T166 VanDerWaalsContact OE1-N 3.08Å; Q97-T166 PolarHBondContact OE1-OG1 3.46Å; Q97-F169 HydrophobicContact CB-CB 4.29Å; Q97-F169 HydrophobicContact CB-CD1 4.49Å; Q97-F169 HydrophobicContact CB-CD2 3.73Å; Q97-F169 HydrophobicContact CB-CE2 4.13Å; Q97-F169 HydrophobicContact CB-CG 3.92Å
98	L	93.8	Very high	89.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-51.9	174.7	-171.7	50.4	0	0	0	109.5	E95 E96 A100 A101 R102 I122 Y125 W127 F169 L180 F181 L187	E95-L98 HydrophobicContact CB-CB 3.87Å; E95-L98 HydrophobicContact CB-CD2 4Å; E95-L98 HydrophobicContact CB-CG 4.45Å; E95-L98 HydrophobicContact CG-CD2 4.14Å; E95-L98 WeakPolarHBondContact O-CB 3.3Å; E95-L98 PolarHBondContact O-N 3.02Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 2.95Å; L98-A100 PolarHBondContact O-N 2.64Å; L98-A101 PolarHBondContact O-N 2.86Å; L98-R102 PolarHBondContact O-N 2.84Å; L98-I122 HydrophobicContact CD2-CG2 4.15Å; L98-Y125 HydrophobicContact CD1-CE1 3.74Å; L98-Y125 HydrophobicContact CD1-CE2 4.16Å; L98-Y125 WeakPolarHBondContact CD1-OH 3.44Å; L98-Y125 HydrophobicContact CD2-CE1 4.37Å; L98-Y125 HydrophobicContact CG-CE1 3.85Å; L98-Y125 WeakPolarHBondContact CG-OH 3.35Å; L98-Y125 PolarHBondContact O-OH 2.87Å; L98-W127 HydrophobicContact CD1-CH2 4.25Å; L98-W127 HydrophobicContact CD1-CZ3 4.17Å; L98-F169 HydrophobicContact CB-CE1 4.17Å; L98-F169 HydrophobicContact CB-CZ 4.03Å; L98-F169 HydrophobicContact CD1-CE1 3.77Å; L98-F169 HydrophobicContact CD1-CZ 3.95Å; L98-L180 HydrophobicContact CD1-CD1 3.41Å; L98-L180 VanDerWaalsContact CD1-CD1 3.41Å; L98-L180 HydrophobicContact CD2-CD1 4.46Å; L98-F181 HydrophobicContact CD2-CZ 3.99Å; L98-L187 HydrophobicContact CD2-CD1 3.63Å
99	R	93.1	Very high	89.9	Confident	64 Å²	64	65.9 Å²	65.9	24%	0.242	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-40.3	178.9	-68.2	-178.9	-69.4	109.1	-5.2	112.8	R92 G93 P94 E95 E96 R102 T103 I112 I122	R92-R99 PolarHBondContact O-NH2 2.73Å; G93-R99 PolarHBondContact O-NH2 3.12Å; G93-R99 VanDerWaalsContact O-NH2 3.13Å; P94-R99 PolarHBondContact O-NE 3.06Å; P94-R99 PolarHBondContact O-NH2 3.04Å; E95-R99 WeakPolarHBondContact O-CG 3.06Å; E95-R99 PolarHBondContact O-N 3.39Å; E95-R99 PolarHBondContact O-NE 3.4Å; E96-R99 VanDerWaalsContact CA-NH2 3.3Å; E96-R99 PolarHBondContact O-N 2.83Å; R99-R102 WeakPolarHBondContact O-CB 3.36Å; R99-R102 PolarHBondContact O-N 3.36Å; R99-T103 PolarHBondContact O-N 3.35Å; R99-T103 VanDerWaalsContact O-N 3.11Å; R99-T103 PolarHBondContact O-OG1 2.87Å; R99-I112 VanDerWaalsContact CD-CD1 3.43Å; R99-I112 HydrophobicContact CG-CD1 4.45Å; R99-I122 HydrophobicContact CG-CD1 4.19Å
100	A	93.4	Very high	90.4	Very high	16 Å²	16	63.1 Å²	63.1	13%	0.132	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-47.3	174.7	0	0	0	0	0	111	E96 L98 R102 T103 L104 T166	E96-A100 VanDerWaalsContact O-CB 3.3Å; E96-A100 WeakPolarHBondContact O-CB 3.17Å; E96-A100 PolarHBondContact O-N 3.47Å; L98-A100 PolarHBondContact O-N 2.64Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.27Å; A100-T103 WeakPolarHBondContact O-CB 3.21Å; A100-T103 PolarHBondContact O-N 2.87Å; A100-T103 VanDerWaalsContact O-N 3.08Å; A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 PolarHBondContact O-N 2.92Å; A100-T166 HydrophobicContact CB-CG2 3.97Å; A100-T166 WeakPolarHBondContact CB-OG1 3.48Å
101	A	92.8	Very high	90.9	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-40.5	177.1	0	0	0	0	0	112	Q97 L98 L104 A105 W127 T166 F169 L170	Q97-A101 WeakPolarHBondContact O-CB 3.48Å; Q97-A101 PolarHBondContact O-N 2.76Å; L98-A101 PolarHBondContact O-N 2.86Å; A101-L104 PolarHBondContact O-N 2.82Å; A101-A105 WeakPolarHBondContact O-CB 3.34Å; A101-A105 PolarHBondContact O-N 2.8Å; A101-W127 HydrophobicContact CB-CH2 4.12Å; A101-W127 HydrophobicContact CB-CZ3 3.97Å; A101-T166 VanDerWaalsContact CA-CG2 3.43Å; A101-T166 HydrophobicContact CB-CG2 3.97Å; A101-F169 HydrophobicContact CB-CD1 3.79Å; A101-F169 HydrophobicContact CB-CE1 4.3Å; A101-L170 HydrophobicContact CB-CD2 3.72Å; A101-L170 HydrophobicContact CB-CG 3.82Å
102	R	91.2	Very high	91.2	Very high	39 Å²	39	56.5 Å²	56.5	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-44.1	175.4	-168.2	178.6	169.5	-72.1	-3.7	112.2	L98 R99 A100 G106 G107 P108 Y125	L98-R102 PolarHBondContact O-N 2.84Å; R99-R102 WeakPolarHBondContact O-CB 3.36Å; R99-R102 PolarHBondContact O-N 3.36Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.27Å; R102-G106 PolarHBondContact O-N 2.68Å; R102-G107 WeakPolarHBondContact O-CA 3.41Å; R102-G107 PolarHBondContact O-N 3.18Å; R102-P108 PolarHBondContact NH1-O 2.93Å; R102-P108 PolarHBondContact NH2-O 3.16Å; R102-Y125 HydrophobicContact CB-CD2 4.47Å; R102-Y125 HydrophobicContact CB-CE2 3.65Å; R102-Y125 HydrophobicContact CG-CD2 4.14Å; R102-Y125 HydrophobicContact CG-CE2 3.79Å
103	T	90.9	Very high	91.5	Very high	102 Å²	102	56.9 Å²	56.9	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-66.4	-47.4	179.3	-55.2	0	0	0	0	110.4	R99 A100 A105 G106	R99-T103 PolarHBondContact O-N 3.35Å; R99-T103 VanDerWaalsContact O-N 3.11Å; R99-T103 PolarHBondContact O-OG1 2.87Å; A100-T103 WeakPolarHBondContact O-CB 3.21Å; A100-T103 PolarHBondContact O-N 2.87Å; A100-T103 VanDerWaalsContact O-N 3.08Å; T103-A105 VanDerWaalsContact C-N 3.28Å; T103-A105 PolarHBondContact O-N 3.5Å; T103-G106 PolarHBondContact O-N 2.94Å
104	L	91.6	Very high	91.5	Very high	39 Å²	39	58.7 Å²	58.7	20%	0.204	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-34.9	178.9	-173.4	61.6	0	0	0	112.3	A100 A101 G106 F130 I163 T166 L167 L170	A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 PolarHBondContact O-N 2.92Å; A101-L104 PolarHBondContact O-N 2.82Å; L104-G106 PolarHBondContact O-N 3.13Å; L104-F130 HydrophobicContact CD1-CE2 4.05Å; L104-F130 HydrophobicContact CD1-CZ 4.21Å; L104-F130 HydrophobicContact CD2-CE2 4.33Å; L104-F130 HydrophobicContact CD2-CZ 4.38Å; L104-F130 HydrophobicContact CG-CD2 4.22Å; L104-F130 HydrophobicContact CG-CE2 3.68Å; L104-F130 HydrophobicContact CG-CZ 4.09Å; L104-F130 WeakPolarHBondContact O-CE2 3.43Å; L104-I163 HydrophobicContact CD1-CD1 4.49Å; L104-T166 HydrophobicContact CB-CG2 4.25Å; L104-T166 HydrophobicContact CD2-CG2 3.76Å; L104-L167 HydrophobicContact CD2-CD2 4Å; L104-L167 HydrophobicContact CD2-CG 4.31Å; L104-L170 HydrophobicContact CD2-CD1 3.97Å; L104-L170 HydrophobicContact CG-CD1 4.49Å
105	A	90	Very high	91.2	Very high	23 Å²	23	61.6 Å²	61.6	19%	0.19	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	6.7	174.8	0	0	0	0	0	114.2	A101 T103 W127	A101-A105 WeakPolarHBondContact O-CB 3.34Å; A101-A105 PolarHBondContact O-N 2.8Å; T103-A105 VanDerWaalsContact C-N 3.28Å; T103-A105 PolarHBondContact O-N 3.5Å; A105-W127 HydrophobicContact CB-CB 3.7Å; A105-W127 HydrophobicContact CB-CG 4.28Å
106	G	88.2	Confident	91.1	Very high	65 Å²	65	67.8 Å²	67.8	67%	0.67	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	21.3	176.5	0	0	0	0	0	114.7	R102 T103 L104	R102-G106 PolarHBondContact O-N 2.68Å; T103-G106 PolarHBondContact O-N 2.94Å; L104-G106 PolarHBondContact O-N 3.13Å
107	G	87.6	Confident	91	Very high	27 Å²	27	67.6 Å²	67.6	28%	0.278	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.7	140.4	175	0	0	0	0	0	112	R102	R102-G107 WeakPolarHBondContact O-CA 3.41Å; R102-G107 PolarHBondContact O-N 3.18Å
108	P	87.1	Confident	91	Very high	95 Å²	95	70.8 Å²	70.8	62%	0.617	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-65.5	152.8	-177	27.3	-35.3	0	0	0	111.7	R102 I110	R102-P108 PolarHBondContact NH1-O 2.93Å; R102-P108 PolarHBondContact NH2-O 3.16Å; P108-I110 PolarHBondContact O-N 3.12Å
109	M	84.8	Confident	91.1	Very high	191 Å²	191	72.9 Å²	72.9	94%	0.941	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-61	134.2	173.8	-166.7	-177.6	-64.2	0	0	110.7
110	I	88.9	Confident	91.2	Very high	90 Å²	90	70.5 Å²	70.5	46%	0.462	41%	0.408	S	S	.	.			trans	-136.6	146.9	178.8	56.9	169.2	0	0	0	110.1	P108 I112	P108-I110 PolarHBondContact O-N 3.12Å; I110-I112 HydrophobicContact CD1-CG2 3.95Å; I110-I112 HydrophobicContact CG1-CG2 3.96Å
111	S	90.4	Very high	91.3	Very high	110 Å²	110	77.1 Å²	77.1	77%	0.769	43%	0.429	S	S	*	.			trans	-73.9	128	165.9	-173.4	0	0	0	0	109.3	Y113	S111-Y113 PolarHBondContact OG-O 3.28Å
112	I	93.1	Very high	91.4	Very high	41 Å²	41	77.5 Å²	77.5	21%	0.21	43%	0.431	C	S	.	.			trans	-114.1	-1.1	175.9	63	171.9	0	0	0	112.2	R99 I110 L120 R121 I122	R99-I112 VanDerWaalsContact CD-CD1 3.43Å; R99-I112 HydrophobicContact CG-CD1 4.45Å; I110-I112 HydrophobicContact CD1-CG2 3.95Å; I110-I112 HydrophobicContact CG1-CG2 3.96Å; I112-L120 HydrophobicContact CD1-CD1 4.05Å; I112-L120 HydrophobicContact CD1-CD2 4.33Å; I112-L120 HydrophobicContact CD1-CG 4.13Å; I112-L120 HydrophobicContact CG1-CG 4.3Å; I112-L120 CarbonylContact O-C 3.54Å; I112-L120 VanDerWaalsContact O-CA 3.31Å; I112-L120 WeakPolarHBondContact O-CA 3.33Å; I112-R121 PolarHBondContact O-N 2.86Å; I112-I122 HydrophobicContact CD1-CG1 4.47Å
113	Y	93.4	Very high	91.3	Very high	111 Å²	111	77 Å²	77	44%	0.435	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.3	178.9	-176.4	-106	0	0	0	109.4	S111 A115 W197	S111-Y113 PolarHBondContact OG-O 3.28Å; Y113-A115 HydrophobicContact CD1-CB 4.44Å; Y113-A115 HydrophobicContact CE1-CB 4.08Å; Y113-W197 HydrophobicContact CD2-CH2 4.42Å; Y113-W197 HydrophobicContact CE2-CH2 4.23Å
114	D	92.9	Very high	91.2	Very high	57 Å²	57	74.2 Å²	74.2	31%	0.305	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.7	172.9	177.6	-5.3	0	0	0	108.1	E116 T117 E118 Q119	D114-E116 VanDerWaalsContact C-N 3.32Å; D114-E116 WeakPolarHBondContact OD1-CB 3.46Å; D114-E116 PolarHBondContact OD1-N 2.89Å; D114-T117 WeakPolarHBondContact CB-OG1 3.09Å; D114-T117 PolarHBondContact OD1-N 3.06Å; D114-T117 WeakPolarHBondContact OD2-CG2 3.42Å; D114-T117 PolarHBondContact OD2-OG1 3.39Å; D114-E118 CarbonylContact O-C 3.52Å; D114-E118 WeakPolarHBondContact O-CA 3Å; D114-E118 PolarHBondContact O-N 3Å; D114-Q119 PolarHBondContact N-O 2.56Å; D114-Q119 PolarHBondContact O-N 3.27Å; D114-Q119 VanDerWaalsContact O-N 3.08Å
115	A	90.3	Very high	90.8	Very high	77 Å²	77	73.8 Å²	73.8	64%	0.636	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.4	-178.9	0	0	0	0	0	113.1	Y113	Y113-A115 HydrophobicContact CD1-CB 4.44Å; Y113-A115 HydrophobicContact CE1-CB 4.08Å
116	E	91.8	Very high	90.3	Very high	183 Å²	183	77.3 Å²	77.3	86%	0.855	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-43.7	178.9	-175.4	178	-177.9	0	0	110.5	D114	D114-E116 VanDerWaalsContact C-N 3.32Å; D114-E116 WeakPolarHBondContact OD1-CB 3.46Å; D114-E116 PolarHBondContact OD1-N 2.89Å
117	T	93	Very high	90	Very high	49 Å²	49	75.4 Å²	75.4	30%	0.301	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.3	178.9	63.9	0	0	0	0	113.6	D114 Q119 K190	D114-T117 WeakPolarHBondContact CB-OG1 3.09Å; D114-T117 PolarHBondContact OD1-N 3.06Å; D114-T117 WeakPolarHBondContact OD2-CG2 3.42Å; D114-T117 PolarHBondContact OD2-OG1 3.39Å; T117-Q119 VanDerWaalsContact C-N 3.25Å; T117-Q119 PolarHBondContact O-N 2.87Å; T117-Q119 WeakPolarHBondContact OG1-CB 3.1Å; T117-K190 PolarHBondContact O-NZ 2.92Å
118	E	93.8	Very high	89.4	Confident	107 Å²	107	79.4 Å²	79.4	50%	0.5	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	36.3	-172.2	-52	169.1	146	0	0	112.6	D114 K190	D114-E118 CarbonylContact O-C 3.52Å; D114-E118 WeakPolarHBondContact O-CA 3Å; D114-E118 PolarHBondContact O-N 3Å; E118-K190 IonicContact OE2-NZ 3.4Å; E118-K190 PolarHBondContact OE2-NZ 2.91Å
119	Q	95.4	Very high	88.8	Confident	44 Å²	44	79.7 Å²	79.7	21%	0.206	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.2	-175.5	-66.5	174.3	26.7	0	0	111.4	D114 T117 Y189 K190 I200	D114-Q119 PolarHBondContact N-O 2.56Å; D114-Q119 PolarHBondContact O-N 3.27Å; D114-Q119 VanDerWaalsContact O-N 3.08Å; T117-Q119 VanDerWaalsContact C-N 3.25Å; T117-Q119 PolarHBondContact O-N 2.87Å; T117-Q119 WeakPolarHBondContact OG1-CB 3.1Å; Q119-Y189 CarbonylContact C-O 3.6Å; Q119-Y189 WeakPolarHBondContact CA-O 3.3Å; Q119-K190 HydrophobicContact CG-CB 4.37Å; Q119-K190 HydrophobicContact CG-CD 4.29Å; Q119-I200 HydrophobicContact CG-CD1 4.03Å
120	L	95.6	Very high	88.5	Confident	14 Å²	14	72.1 Å²	72.1	7%	0.073	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.1	163.7	-173.5	155	0	0	0	108.4	I112 I122 L188 Y189 W197	I112-L120 HydrophobicContact CD1-CD1 4.05Å; I112-L120 HydrophobicContact CD1-CD2 4.33Å; I112-L120 HydrophobicContact CD1-CG 4.13Å; I112-L120 HydrophobicContact CG1-CG 4.3Å; I112-L120 CarbonylContact O-C 3.54Å; I112-L120 VanDerWaalsContact O-CA 3.31Å; I112-L120 WeakPolarHBondContact O-CA 3.33Å; L120-I122 HydrophobicContact CD2-CD1 3.58Å; L120-I122 HydrophobicContact CD2-CG1 3.58Å; L120-L188 CarbonylContact O-C 3.57Å; L120-L188 WeakPolarHBondContact O-CA 3.11Å; L120-Y189 HydrophobicContact CD2-CD2 4.05Å; L120-Y189 PolarHBondContact N-O 3.33Å; L120-Y189 PolarHBondContact O-N 2.91Å; L120-W197 HydrophobicContact CB-CH2 4.11Å; L120-W197 HydrophobicContact CB-CZ3 3.9Å; L120-W197 HydrophobicContact CD1-CH2 4.47Å
121	R	94.9	Very high	88.1	Confident	156 Å²	156	71.5 Å²	71.5	59%	0.589	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.3	-177.7	179.2	174.3	179.6	168.5	-0.4	110.1	I112 A186 L188	I112-R121 PolarHBondContact O-N 2.86Å; R121-A186 HydrophobicContact CG-CB 3.84Å; R121-L188 HydrophobicContact CB-CD2 3.89Å; R121-L188 HydrophobicContact CG-CD2 3.69Å
122	I	93.7	Very high	88	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.036	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	103.4	171.3	-62.8	164.2	0	0	0	107.3	E95 L98 R99 I112 L120 Y125 F181 A186 L187	E95-I122 HydrophobicContact CB-CD1 3.5Å; E95-I122 HydrophobicContact CG-CD1 3.84Å; L98-I122 HydrophobicContact CD2-CG2 4.15Å; R99-I122 HydrophobicContact CG-CD1 4.19Å; I112-I122 HydrophobicContact CD1-CG1 4.47Å; L120-I122 HydrophobicContact CD2-CD1 3.58Å; L120-I122 HydrophobicContact CD2-CG1 3.58Å; I122-Y125 HydrophobicContact CG2-CE1 3.91Å; I122-F181 HydrophobicContact CG2-CE1 4.07Å; I122-F181 HydrophobicContact CG2-CZ 4.02Å; I122-F181 WeakPolarHBondContact O-CE1 2.98Å; I122-A186 CarbonylContact O-C 3.5Å; I122-A186 VanDerWaalsContact O-CA 3.25Å; I122-A186 WeakPolarHBondContact O-CA 3.47Å; I122-A186 WeakPolarHBondContact O-CB 3.41Å; I122-L187 HydrophobicContact CB-CB 4.39Å; I122-L187 PolarHBondContact N-O 2.67Å; I122-L187 PolarHBondContact O-N 2.65Å
123	G	90.5	Very high	87.9	Confident	28 Å²	28	72.1 Å²	72.1	29%	0.289	39%	0.389	S	S	.	.			trans	-66.6	162.5	175.5	0	0	0	0	0	112.1	Y125 F181	G123-Y125 VanDerWaalsContact O-CD1 3.29Å; G123-Y125 WeakPolarHBondContact O-CD1 3.44Å; G123-F181 VanDerWaalsContact O-CE1 3.24Å; G123-F181 WeakPolarHBondContact O-CE1 3.37Å; G123-F181 VanDerWaalsContact O-CZ 3.24Å; G123-F181 WeakPolarHBondContact O-CZ 3.48Å
124	P	88.6	Confident	88	Confident	45 Å²	45	70.7 Å²	70.7	29%	0.292	39%	0.389	S	S	.	.			trans	-59.2	144.8	169.6	-16.2	28.2	0	0	0	110.9	F181 N184	P124-F181 HydrophobicContact CB-CB 3.94Å; P124-F181 HydrophobicContact CB-CD1 4.19Å; P124-F181 HydrophobicContact CB-CD2 4.02Å; P124-F181 HydrophobicContact CB-CG 3.77Å; P124-F181 HydrophobicContact CG-CB 4.03Å; P124-F181 HydrophobicContact CG-CD1 4.17Å; P124-F181 HydrophobicContact CG-CG 4.09Å; P124-N184 WeakPolarHBondContact CB-OD1 3.5Å; P124-N184 VanDerWaalsContact CG-C 3.5Å; P124-N184 VanDerWaalsContact CG-O 3.23Å; P124-N184 WeakPolarHBondContact CG-O 3.49Å; P124-N184 VanDerWaalsContact CG-OD1 3.28Å; P124-N184 WeakPolarHBondContact CG-OD1 3.26Å
125	Y	82.1	Confident	88.1	Confident	29 Å²	29	73.2 Å²	73.2	11%	0.114	40%	0.397	C	S	.	.			trans	-145.8	161.2	172.5	55.3	-84.1	0	0	0	110.4	L98 R102 I122 G123 W127 P176 A177 F181	L98-Y125 HydrophobicContact CD1-CE1 3.74Å; L98-Y125 HydrophobicContact CD1-CE2 4.16Å; L98-Y125 WeakPolarHBondContact CD1-OH 3.44Å; L98-Y125 HydrophobicContact CD2-CE1 4.37Å; L98-Y125 HydrophobicContact CG-CE1 3.85Å; L98-Y125 WeakPolarHBondContact CG-OH 3.35Å; L98-Y125 PolarHBondContact O-OH 2.87Å; R102-Y125 HydrophobicContact CB-CD2 4.47Å; R102-Y125 HydrophobicContact CB-CE2 3.65Å; R102-Y125 HydrophobicContact CG-CD2 4.14Å; R102-Y125 HydrophobicContact CG-CE2 3.79Å; I122-Y125 HydrophobicContact CG2-CE1 3.91Å; G123-Y125 VanDerWaalsContact O-CD1 3.29Å; G123-Y125 WeakPolarHBondContact O-CD1 3.44Å; Y125-W127 AromaticContact CD2-CE3 3.58Å; Y125-W127 HydrophobicContact CD2-CE3 3.58Å; Y125-W127 AromaticContact CD2-CZ3 3.81Å; Y125-W127 HydrophobicContact CD2-CZ3 3.81Å; Y125-W127 AromaticContact CE2-CE3 3.21Å; Y125-W127 HydrophobicContact CE2-CE3 3.21Å; Y125-W127 HydrophobicContact CE2-CH2 4.29Å; Y125-W127 AromaticContact CE2-CZ3 3.06Å; Y125-W127 HydrophobicContact CE2-CZ3 3.06Å; Y125-W127 AromaticContact CZ-CZ3 3.79Å; Y125-P176 HydrophobicContact CD2-CG 4.42Å; Y125-P176 WeakPolarHBondContact O-CG 3.42Å; Y125-A177 PolarHBondContact O-N 2.99Å; Y125-F181 AromaticContact CD1-CE2 3.74Å; Y125-F181 HydrophobicContact CD1-CE2 3.74Å; Y125-F181 AromaticContact CD1-CZ 3.57Å; Y125-F181 HydrophobicContact CD1-CZ 3.57Å; Y125-F181 AromaticContact CE1-CE2 3.85Å; Y125-F181 HydrophobicContact CE1-CE2 3.85Å; Y125-F181 AromaticContact CE1-CZ 3.48Å; Y125-F181 HydrophobicContact CE1-CZ 3.48Å; Y125-F181 VanDerWaalsContact CE1-CZ 3.48Å; Y125-F181 HydrophobicContact CG-CE2 4.47Å
126	S	81	Confident	88.3	Confident	97 Å²	97	71.5 Å²	71.5	68%	0.678	37%	0.374	S	S	*	.			trans	-121.8	139.1	170.5	-61.7	0	0	0	0	106.8
127	W	81.6	Confident	88.5	Confident	25 Å²	25	64.2 Å²	64.2	10%	0.095	34%	0.341	C	S	.	.			trans	-109.4	148.1	166.7	46	67.1	0	0	0	108.8	L98 A101 A105 Y125 F169 L170 H173 P176	L98-W127 HydrophobicContact CD1-CH2 4.25Å; L98-W127 HydrophobicContact CD1-CZ3 4.17Å; A101-W127 HydrophobicContact CB-CH2 4.12Å; A101-W127 HydrophobicContact CB-CZ3 3.97Å; A105-W127 HydrophobicContact CB-CB 3.7Å; A105-W127 HydrophobicContact CB-CG 4.28Å; Y125-W127 AromaticContact CD2-CE3 3.58Å; Y125-W127 HydrophobicContact CD2-CE3 3.58Å; Y125-W127 AromaticContact CD2-CZ3 3.81Å; Y125-W127 HydrophobicContact CD2-CZ3 3.81Å; Y125-W127 AromaticContact CE2-CE3 3.21Å; Y125-W127 HydrophobicContact CE2-CE3 3.21Å; Y125-W127 HydrophobicContact CE2-CH2 4.29Å; Y125-W127 AromaticContact CE2-CZ3 3.06Å; Y125-W127 HydrophobicContact CE2-CZ3 3.06Å; Y125-W127 AromaticContact CZ-CZ3 3.79Å; W127-F169 HydrophobicContact CH2-CD1 4.24Å; W127-F169 AromaticContact CH2-CE1 3.89Å; W127-F169 HydrophobicContact CH2-CE1 3.89Å; W127-L170 HydrophobicContact CD2-CD2 3.79Å; W127-L170 HydrophobicContact CE3-CD2 4.23Å; W127-L170 HydrophobicContact CG-CD2 4.22Å; W127-L170 HydrophobicContact CH2-CD2 4.26Å; W127-L170 HydrophobicContact CZ2-CD2 3.74Å; W127-L170 HydrophobicContact CZ3-CD2 4.45Å; W127-H173 HydrophobicContact CZ2-CB 4.12Å; W127-H173 WeakPolarHBondContact CZ2-O 3.5Å; W127-H173 PolarHBondContact NE1-O 3.25Å; W127-P176 HydrophobicContact CD2-CG 3.63Å; W127-P176 HydrophobicContact CE3-CB 4.47Å; W127-P176 HydrophobicContact CE3-CG 3.72Å; W127-P176 HydrophobicContact CG-CG 4.41Å; W127-P176 HydrophobicContact CH2-CB 3.5Å; W127-P176 HydrophobicContact CH2-CG 3.55Å; W127-P176 HydrophobicContact CZ2-CB 3.75Å; W127-P176 HydrophobicContact CZ2-CG 3.51Å; W127-P176 HydrophobicContact CZ3-CB 3.93Å; W127-P176 HydrophobicContact CZ3-CG 3.67Å
128	T	74.3	Confident	88.7	Confident	111 Å²	111	69.3 Å²	69.3	68%	0.681	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-58.4	136.9	157.7	40.5	0	0	0	0	107.9	F130	T128-F130 PolarHBondContact O-N 3.11Å; T128-F130 VanDerWaalsContact O-N 3.11Å
129	P	74.1	Confident	88.8	Confident	102 Å²	102	66.3 Å²	66.3	66%	0.662	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-49.7	125	177.2	-27.3	34.5	0	0	0	109.8
130	F	79.1	Confident	88.9	Confident	31 Å²	31	68.6 Å²	68.6	14%	0.136	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-59.1	128.4	178.4	-173.6	-94.5	0	0	0	108.2	L104 T128 H132 V133 W136 L167 L170	L104-F130 HydrophobicContact CD1-CE2 4.05Å; L104-F130 HydrophobicContact CD1-CZ 4.21Å; L104-F130 HydrophobicContact CD2-CE2 4.33Å; L104-F130 HydrophobicContact CD2-CZ 4.38Å; L104-F130 HydrophobicContact CG-CD2 4.22Å; L104-F130 HydrophobicContact CG-CE2 3.68Å; L104-F130 HydrophobicContact CG-CZ 4.09Å; L104-F130 WeakPolarHBondContact O-CE2 3.43Å; T128-F130 PolarHBondContact O-N 3.11Å; T128-F130 VanDerWaalsContact O-N 3.11Å; F130-H132 PolarHBondContact O-N 3.08Å; F130-V133 HydrophobicContact CB-CG2 3.68Å; F130-V133 HydrophobicContact CD1-CG2 3.69Å; F130-V133 HydrophobicContact CG-CG2 4.15Å; F130-V133 WeakPolarHBondContact O-CG2 3.3Å; F130-W136 AromaticContact CE1-CD1 3.52Å; F130-W136 HydrophobicContact CE1-CG 4.31Å; F130-W136 AromaticContact CE1-NE1 3.78Å; F130-L167 HydrophobicContact CD1-CD2 3.72Å; F130-L167 HydrophobicContact CE1-CD2 3.49Å; F130-L167 VanDerWaalsContact CE1-CD2 3.49Å; F130-L167 HydrophobicContact CZ-CD2 4.25Å; F130-L170 HydrophobicContact CB-CD1 3.88Å; F130-L170 HydrophobicContact CD2-CD1 4.3Å; F130-L170 HydrophobicContact CG-CD1 4.03Å
131	P	80.9	Confident	89	Confident	78 Å²	78	72.2 Å²	72.2	51%	0.506	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	131.2	-171.2	25.9	-33.6	0	0	0	110	V133	P131-V133 VanDerWaalsContact C-N 3.34Å; P131-V133 PolarHBondContact O-N 3.15Å
132	H	87.8	Confident	89.1	Confident	146 Å²	146	70.9 Å²	70.9	68%	0.676	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	42.4	172.7	-45.2	-74	0	0	0	114.4	F130 D134 F135 W136	F130-H132 PolarHBondContact O-N 3.08Å; H132-D134 PolarHBondContact O-N 2.93Å; H132-D134 VanDerWaalsContact O-N 3.14Å; H132-F135 HydrophobicContact CB-CB 3.72Å; H132-F135 HydrophobicContact CB-CG 4.5Å; H132-F135 WeakPolarHBondContact O-CA 3.43Å; H132-F135 VanDerWaalsContact O-CB 3.3Å; H132-F135 WeakPolarHBondContact O-CB 3.46Å; H132-F135 PolarHBondContact O-N 2.96Å; H132-W136 VanDerWaalsContact O-CD1 3.28Å; H132-W136 PolarHBondContact O-N 3.24Å; H132-W136 VanDerWaalsContact O-N 3.14Å
133	V	92.2	Very high	89.2	Confident	18 Å²	18	73.8 Å²	73.8	11%	0.109	39%	0.392	C	S	.	.	H	α-helix	trans	-48.6	-43.6	176.6	174.7	0	0	0	0	112.2	F130 P131 F135 W136 L137 L167 L170 K171	F130-V133 HydrophobicContact CB-CG2 3.68Å; F130-V133 HydrophobicContact CD1-CG2 3.69Å; F130-V133 HydrophobicContact CG-CG2 4.15Å; F130-V133 WeakPolarHBondContact O-CG2 3.3Å; P131-V133 VanDerWaalsContact C-N 3.34Å; P131-V133 PolarHBondContact O-N 3.15Å; V133-F135 VanDerWaalsContact C-N 3.35Å; V133-F135 PolarHBondContact O-N 3.38Å; V133-W136 PolarHBondContact O-N 3.49Å; V133-L137 HydrophobicContact CG1-CD1 3.82Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 WeakPolarHBondContact O-CG 3.24Å; V133-L137 PolarHBondContact O-N 2.83Å; V133-L167 HydrophobicContact CG1-CB 4.25Å; V133-L167 HydrophobicContact CG1-CD2 4.44Å; V133-L167 WeakPolarHBondContact CG1-O 3.27Å; V133-L170 HydrophobicContact CG2-CB 4.46Å; V133-K171 HydrophobicContact CG1-CB 3.89Å
134	D	93.6	Very high	89.5	Confident	81 Å²	81	72.4 Å²	72.4	43%	0.433	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-41.6	177.5	-72	-49.1	0	0	0	112.3	H132 W136 L137 H138 K171	H132-D134 PolarHBondContact O-N 2.93Å; H132-D134 VanDerWaalsContact O-N 3.14Å; D134-W136 VanDerWaalsContact C-N 3.34Å; D134-W136 PolarHBondContact O-N 2.98Å; D134-L137 PolarHBondContact O-N 3.44Å; D134-H138 PolarHBondContact O-N 3.44Å; D134-H138 PolarHBondContact O-ND1 3.25Å; D134-K171 WeakPolarHBondContact OD1-CE 2.91Å; D134-K171 IonicContact OD1-NZ 2.63Å; D134-K171 PolarHBondContact OD1-NZ 2.8Å
135	F	94.9	Very high	89.8	Confident	109 Å²	109	72.5 Å²	72.5	48%	0.478	38%	0.376	S	S	.	.	H	α-helix	trans	-57.8	-48.9	176	169.2	-94.4	0	0	0	111	H132 V133 L137 H138 Q139	H132-F135 HydrophobicContact CB-CB 3.72Å; H132-F135 HydrophobicContact CB-CG 4.5Å; H132-F135 WeakPolarHBondContact O-CA 3.43Å; H132-F135 VanDerWaalsContact O-CB 3.3Å; H132-F135 WeakPolarHBondContact O-CB 3.46Å; H132-F135 PolarHBondContact O-N 2.96Å; V133-F135 VanDerWaalsContact C-N 3.35Å; V133-F135 PolarHBondContact O-N 3.38Å; F135-L137 PolarHBondContact O-N 2.99Å; F135-H138 PolarHBondContact O-N 3.19Å; F135-H138 VanDerWaalsContact O-N 3.16Å; F135-Q139 HydrophobicContact CD1-CG 4.28Å; F135-Q139 HydrophobicContact CE1-CG 3.91Å; F135-Q139 VanDerWaalsContact CE2-NE2 3.3Å; F135-Q139 HydrophobicContact CZ-CG 4.17Å; F135-Q139 WeakPolarHBondContact O-CG 3.24Å; F135-Q139 PolarHBondContact O-N 3.36Å; F135-Q139 PolarHBondContact O-NE2 2.88Å
136	W	95.4	Very high	90.3	Very high	41 Å²	41	75.7 Å²	75.7	16%	0.155	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-39.8	-179.6	-70.5	112.3	0	0	0	112.9	F130 H132 V133 D134 H138 Q139 N147 L148 L167	F130-W136 AromaticContact CE1-CD1 3.52Å; F130-W136 HydrophobicContact CE1-CG 4.31Å; F130-W136 AromaticContact CE1-NE1 3.78Å; H132-W136 VanDerWaalsContact O-CD1 3.28Å; H132-W136 PolarHBondContact O-N 3.24Å; H132-W136 VanDerWaalsContact O-N 3.14Å; V133-W136 PolarHBondContact O-N 3.49Å; D134-W136 VanDerWaalsContact C-N 3.34Å; D134-W136 PolarHBondContact O-N 2.98Å; W136-H138 PolarHBondContact O-N 3.39Å; W136-Q139 HydrophobicContact CE3-CG 4.13Å; W136-Q139 PolarHBondContact O-N 2.56Å; W136-Q139 VanDerWaalsContact O-N 3.15Å; W136-N147 HydrophobicContact CH2-CB 3.57Å; W136-N147 HydrophobicContact CZ3-CB 3.72Å; W136-L148 HydrophobicContact CD2-CD1 4.18Å; W136-L148 HydrophobicContact CD2-CD2 4.46Å; W136-L148 HydrophobicContact CE3-CD1 4.04Å; W136-L148 HydrophobicContact CE3-CD2 4.49Å; W136-L148 HydrophobicContact CE3-CG 4.3Å; W136-L148 HydrophobicContact CH2-CD2 4.23Å; W136-L148 HydrophobicContact CZ2-CD2 4.17Å; W136-L148 HydrophobicContact CZ3-CD2 4.39Å; W136-L148 HydrophobicContact CZ3-CG 4.29Å; W136-L167 HydrophobicContact CB-CD1 3.68Å; W136-L167 HydrophobicContact CB-CD2 4.31Å
137	L	95.9	Very high	90.9	Very high	30 Å²	30	75.4 Å²	75.4	16%	0.157	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-27.1	177.1	-73.3	170.3	0	0	0	113.2	V133 D134 F135 R164 L167 M168 K171	V133-L137 HydrophobicContact CG1-CD1 3.82Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 WeakPolarHBondContact O-CG 3.24Å; V133-L137 PolarHBondContact O-N 2.83Å; D134-L137 PolarHBondContact O-N 3.44Å; F135-L137 PolarHBondContact O-N 2.99Å; L137-R164 PolarHBondContact O-NH1 2.95Å; L137-L167 HydrophobicContact CD2-CB 3.71Å; L137-L167 HydrophobicContact CD2-CD1 4.37Å; L137-L167 HydrophobicContact CG-CB 4.09Å; L137-M168 HydrophobicContact CD1-CG 4.43Å; L137-M168 HydrophobicContact CD1-SD 3.66Å; L137-M168 HydrophobicContact CD2-CG 3.81Å; L137-M168 HydrophobicContact CD2-SD 3.98Å; L137-M168 HydrophobicContact CG-SD 4.48Å; L137-K171 HydrophobicContact CD1-CD 4Å
138	H	96.6	Very high	91.5	Very high	156 Å²	156	76.1 Å²	76.1	72%	0.722	39%	0.388	S	S	*	.	H	α-helix	trans	-87.6	-9.7	176.7	-68.9	90.2	0	0	0	114	D134 F135 W136	D134-H138 PolarHBondContact O-N 3.44Å; D134-H138 PolarHBondContact O-ND1 3.25Å; F135-H138 PolarHBondContact O-N 3.19Å; F135-H138 VanDerWaalsContact O-N 3.16Å; W136-H138 PolarHBondContact O-N 3.39Å
139	Q	97.4	Very high	92.4	Very high	44 Å²	44	71.2 Å²	71.2	21%	0.206	36%	0.359	C	S	.	.	S	Bend	trans	-70.5	156.3	178.1	-62.3	-42.4	-66.9	0	0	111.2	F135 W136 Q143 I144 R164	F135-Q139 HydrophobicContact CD1-CG 4.28Å; F135-Q139 HydrophobicContact CE1-CG 3.91Å; F135-Q139 VanDerWaalsContact CE2-NE2 3.3Å; F135-Q139 HydrophobicContact CZ-CG 4.17Å; F135-Q139 WeakPolarHBondContact O-CG 3.24Å; F135-Q139 PolarHBondContact O-N 3.36Å; F135-Q139 PolarHBondContact O-NE2 2.88Å; W136-Q139 HydrophobicContact CE3-CG 4.13Å; W136-Q139 PolarHBondContact O-N 2.56Å; W136-Q139 VanDerWaalsContact O-N 3.15Å; Q139-Q143 HydrophobicContact CB-CB 3.89Å; Q139-Q143 HydrophobicContact CG-CB 4.38Å; Q139-I144 HydrophobicContact CB-CG1 4.2Å; Q139-R164 PolarHBondContact O-NH1 3.49Å; Q139-R164 PolarHBondContact O-NH2 3.12Å
140	D	97.4	Very high	93.1	Very high	93 Å²	93	70.4 Å²	70.4	50%	0.497	35%	0.352	S	S	.	.			trans	-73	168.2	169.7	67.2	42.7	0	0	0	111.8	K142 Q143 I144	D140-K142 PolarHBondContact O-N 3.28Å; D140-K142 WeakPolarHBondContact OD1-CA 3.38Å; D140-K142 WeakPolarHBondContact OD1-CB 3.28Å; D140-K142 PolarHBondContact OD1-N 2.99Å; D140-K142 VanDerWaalsContact OD1-N 3.07Å; D140-Q143 PolarHBondContact O-N 3.32Å; D140-Q143 WeakPolarHBondContact OD1-CG 3.23Å; D140-Q143 PolarHBondContact OD1-N 2.9Å; D140-I144 PolarHBondContact O-N 2.98Å; D140-I144 VanDerWaalsContact O-N 3.12Å
141	D	97.1	Very high	93.6	Very high	90 Å²	90	70.1 Å²	70.1	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-30.4	-175.3	-69.3	-5.6	0	0	0	112.6	I144 L145 V160 R164	D141-I144 PolarHBondContact O-N 3.16Å; D141-L145 VanDerWaalsContact O-CB 3.28Å; D141-L145 WeakPolarHBondContact O-CB 3.25Å; D141-L145 PolarHBondContact O-N 2.87Å; D141-V160 HydrophobicContact CB-CB 4.46Å; D141-V160 HydrophobicContact CB-CG1 3.84Å; D141-V160 HydrophobicContact CB-CG2 4.31Å; D141-V160 WeakPolarHBondContact OD1-CG1 3.38Å; D141-R164 IonicContact OD1-CZ 3.76Å; D141-R164 IonicContact OD1-NE 3.18Å; D141-R164 PolarHBondContact OD1-NE 3.47Å; D141-R164 IonicContact OD1-NH2 3.56Å; D141-R164 PolarHBondContact OD1-NH2 3.11Å
142	K	96.4	Very high	94.2	Very high	128 Å²	128	68.5 Å²	68.5	56%	0.557	34%	0.343	S	S	*	.	H	α-helix	trans	-66.5	-47.5	177.5	179.8	-178.1	175.2	-178.1	0	110.4	D140 I144 L145 E146	D140-K142 PolarHBondContact O-N 3.28Å; D140-K142 WeakPolarHBondContact OD1-CA 3.38Å; D140-K142 WeakPolarHBondContact OD1-CB 3.28Å; D140-K142 PolarHBondContact OD1-N 2.99Å; D140-K142 VanDerWaalsContact OD1-N 3.07Å; K142-I144 VanDerWaalsContact C-N 3.34Å; K142-I144 PolarHBondContact O-N 2.85Å; K142-L145 PolarHBondContact O-N 3.49Å; K142-E146 VanDerWaalsContact CE-CD 3.44Å; K142-E146 WeakPolarHBondContact CE-OE1 3.5Å; K142-E146 HydrophobicContact CG-CG 4.33Å; K142-E146 IonicContact NZ-OE1 2.75Å; K142-E146 WeakPolarHBondContact O-CB 3.35Å; K142-E146 WeakPolarHBondContact O-CG 3.33Å; K142-E146 PolarHBondContact O-N 3.35Å
143	Q	96.3	Very high	94.4	Very high	67 Å²	67	66.6 Å²	66.6	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-40.8	177.4	-73.3	-55.5	-54.7	0	0	111.9	Q139 D140 N147	Q139-Q143 HydrophobicContact CB-CB 3.89Å; Q139-Q143 HydrophobicContact CG-CB 4.38Å; D140-Q143 PolarHBondContact O-N 3.32Å; D140-Q143 WeakPolarHBondContact OD1-CG 3.23Å; D140-Q143 PolarHBondContact OD1-N 2.9Å; Q143-N147 WeakPolarHBondContact O-CB 3.44Å; Q143-N147 PolarHBondContact O-N 3.41Å; Q143-N147 VanDerWaalsContact O-N 3.16Å; Q143-N147 PolarHBondContact O-ND2 3.43Å; Q143-N147 PolarHBondContact OE1-ND2 3.3Å
144	I	96	Very high	94.4	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-48.6	175.1	-71	175.7	0	0	0	110.5	Q139 D140 D141 K142 L148 V160 I163 R164	Q139-I144 HydrophobicContact CB-CG1 4.2Å; D140-I144 PolarHBondContact O-N 2.98Å; D140-I144 VanDerWaalsContact O-N 3.12Å; D141-I144 PolarHBondContact O-N 3.16Å; K142-I144 VanDerWaalsContact C-N 3.34Å; K142-I144 PolarHBondContact O-N 2.85Å; I144-L148 HydrophobicContact CG2-CD1 4.26Å; I144-L148 VanDerWaalsContact O-CB 3.27Å; I144-L148 WeakPolarHBondContact O-CB 3.29Å; I144-L148 PolarHBondContact O-N 3.48Å; I144-V160 HydrophobicContact CB-CG1 4.12Å; I144-V160 HydrophobicContact CD1-CG1 4.12Å; I144-V160 HydrophobicContact CG2-CB 4.42Å; I144-V160 HydrophobicContact CG2-CG1 3.89Å; I144-V160 HydrophobicContact CG2-CG2 4.28Å; I144-I163 HydrophobicContact CG2-CB 4.05Å; I144-I163 HydrophobicContact CG2-CG2 3.67Å; I144-R164 HydrophobicContact CD1-CG 3.84Å
145	L	95.6	Very high	94.3	Very high	47 Å²	47	64.7 Å²	64.7	25%	0.246	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-50.4	-178.1	-174.6	64.8	0	0	0	111.5	D141 K142 N147 S149 P152 E155 F159 V160	D141-L145 VanDerWaalsContact O-CB 3.28Å; D141-L145 WeakPolarHBondContact O-CB 3.25Å; D141-L145 PolarHBondContact O-N 2.87Å; K142-L145 PolarHBondContact O-N 3.49Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 2.92Å; L145-S149 WeakPolarHBondContact O-CB 3.28Å; L145-S149 PolarHBondContact O-N 3.45Å; L145-S149 VanDerWaalsContact O-N 3.16Å; L145-P152 HydrophobicContact CD2-CB 4.48Å; L145-P152 HydrophobicContact CG-CB 4.01Å; L145-E155 HydrophobicContact CD1-CB 3.89Å; L145-E155 HydrophobicContact CD1-CG 3.86Å; L145-F159 HydrophobicContact CD1-CD1 3.48Å; L145-F159 VanDerWaalsContact CD1-CD1 3.48Å; L145-F159 HydrophobicContact CD1-CE1 3.9Å; L145-F159 HydrophobicContact CD1-CG 4.25Å; L145-V160 HydrophobicContact CB-CG2 4.02Å; L145-V160 HydrophobicContact CD1-CG2 4.4Å
146	E	93.6	Very high	94.1	Very high	96 Å²	96	61.9 Å²	61.9	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-33.5	-176.5	-72.2	176.6	163.6	0	0	113.3	K142	K142-E146 VanDerWaalsContact CE-CD 3.44Å; K142-E146 WeakPolarHBondContact CE-OE1 3.5Å; K142-E146 HydrophobicContact CG-CG 4.33Å; K142-E146 IonicContact NZ-OE1 2.75Å; K142-E146 WeakPolarHBondContact O-CB 3.35Å; K142-E146 WeakPolarHBondContact O-CG 3.33Å; K142-E146 PolarHBondContact O-N 3.35Å
147	N	93.5	Very high	94	Very high	91 Å²	91	66.7 Å²	66.7	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-98.6	-25.1	-173.6	-68.8	-86.8	0	0	0	114.2	W136 Q143 L145	W136-N147 HydrophobicContact CH2-CB 3.57Å; W136-N147 HydrophobicContact CZ3-CB 3.72Å; Q143-N147 WeakPolarHBondContact O-CB 3.44Å; Q143-N147 PolarHBondContact O-N 3.41Å; Q143-N147 VanDerWaalsContact O-N 3.16Å; Q143-N147 PolarHBondContact O-ND2 3.43Å; Q143-N147 PolarHBondContact OE1-ND2 3.3Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 2.92Å
148	L	93.2	Very high	93.8	Very high	39 Å²	39	68.8 Å²	68.8	20%	0.204	36%	0.364	C	S	.	.	H	α-helix	trans	-110.6	-6.4	-174.9	-56	-177.7	0	0	0	113.5	W136 I144 I163 L167	W136-L148 HydrophobicContact CD2-CD1 4.18Å; W136-L148 HydrophobicContact CD2-CD2 4.46Å; W136-L148 HydrophobicContact CE3-CD1 4.04Å; W136-L148 HydrophobicContact CE3-CD2 4.49Å; W136-L148 HydrophobicContact CE3-CG 4.3Å; W136-L148 HydrophobicContact CH2-CD2 4.23Å; W136-L148 HydrophobicContact CZ2-CD2 4.17Å; W136-L148 HydrophobicContact CZ3-CD2 4.39Å; W136-L148 HydrophobicContact CZ3-CG 4.29Å; I144-L148 HydrophobicContact CG2-CD1 4.26Å; I144-L148 VanDerWaalsContact O-CB 3.27Å; I144-L148 WeakPolarHBondContact O-CB 3.29Å; I144-L148 PolarHBondContact O-N 3.48Å; L148-I163 HydrophobicContact CD1-CG2 3.63Å; L148-L167 HydrophobicContact CD1-CD1 4.46Å
149	S	92.5	Very high	93.7	Very high	8 Å²	8	62.6 Å²	62.6	6%	0.056	34%	0.335	C	S	.	.			trans	-94.4	148.5	167.9	176.8	0	0	0	0	111.8	L145 S151 E155	L145-S149 WeakPolarHBondContact O-CB 3.28Å; L145-S149 PolarHBondContact O-N 3.45Å; L145-S149 VanDerWaalsContact O-N 3.16Å; S149-S151 PolarHBondContact OG-N 2.93Å; S149-E155 WeakPolarHBondContact CB-OE1 3.43Å; S149-E155 VanDerWaalsContact OG-CD 3.26Å; S149-E155 WeakPolarHBondContact OG-CG 3.11Å; S149-E155 PolarHBondContact OG-OE1 3.17Å
150	T	88.9	Confident	93.7	Very high	86 Å²	86	61.3 Å²	61.3	53%	0.528	33%	0.33	S	S	.	.	S	Bend	trans	-81.1	-20.6	166.5	48.1	0	0	0	0	113.1	L30	L30-T150 HydrophobicContact CD1-CG2 4.23Å
151	S	91	Very high	93.7	Very high	25 Å²	25	63.7 Å²	63.7	18%	0.175	34%	0.338	C	S	.	.	S	Bend	trans	-148	68.5	-174.4	50.8	0	0	0	0	111.3	S149 L153 A154 E155	S149-S151 PolarHBondContact OG-N 2.93Å; S151-L153 VanDerWaalsContact C-N 3.26Å; S151-L153 PolarHBondContact O-N 2.94Å; S151-A154 PolarHBondContact O-N 3.43Å; S151-E155 PolarHBondContact O-N 3.23Å
152	P	92.8	Very high	93.6	Very high	43 Å²	43	61.5 Å²	61.5	28%	0.279	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-47.3	-41.2	-170.3	-34.3	38.3	0	0	0	115.6	L145	L145-P152 HydrophobicContact CD2-CB 4.48Å; L145-P152 HydrophobicContact CG-CB 4.01Å
153	L	91.4	Very high	93.6	Very high	106 Å²	106	56 Å²	56	56%	0.555	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-74	-27.4	-177.5	-62.3	176.8	0	0	0	112.9	N67 F69 S151	N67-L153 HydrophobicContact CB-CD1 4.05Å; N67-L153 WeakPolarHBondContact OD1-CD1 3.4Å; F69-L153 HydrophobicContact CE1-CB 4.28Å; F69-L153 WeakPolarHBondContact CE1-O 3.25Å; S151-L153 VanDerWaalsContact C-N 3.26Å; S151-L153 PolarHBondContact O-N 2.94Å
154	A	92	Very high	93.7	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-91	-3.1	-177.2	0	0	0	0	0	113.5	F24 F69 Y73 S151	F24-A154 HydrophobicContact CZ-CB 4.19Å; F69-A154 HydrophobicContact CD1-CB 4.14Å; Y73-A154 PolarHBondContact OH-O 3.12Å; S151-A154 PolarHBondContact O-N 3.43Å
155	E	92.8	Very high	93.7	Very high	53 Å²	53	58.6 Å²	58.6	25%	0.248	32%	0.317	C	S	.	.	S	Bend	trans	-72.2	146.8	-179.6	-67.1	-60.5	173.8	0	0	112.5	L145 S149 S151 F159	L145-E155 HydrophobicContact CD1-CB 3.89Å; L145-E155 HydrophobicContact CD1-CG 3.86Å; S149-E155 WeakPolarHBondContact CB-OE1 3.43Å; S149-E155 VanDerWaalsContact OG-CD 3.26Å; S149-E155 WeakPolarHBondContact OG-CG 3.11Å; S149-E155 PolarHBondContact OG-OE1 3.17Å; S151-E155 PolarHBondContact O-N 3.23Å; E155-F159 HydrophobicContact CB-CB 3.82Å; E155-F159 HydrophobicContact CB-CD1 4.43Å; E155-F159 HydrophobicContact CB-CD2 4.12Å; E155-F159 HydrophobicContact CB-CG 3.87Å; E155-F159 VanDerWaalsContact CD-CE2 3.44Å; E155-F159 HydrophobicContact CG-CB 4.34Å; E155-F159 HydrophobicContact CG-CD1 4.19Å; E155-F159 HydrophobicContact CG-CD2 3.74Å; E155-F159 HydrophobicContact CG-CE1 4.48Å; E155-F159 HydrophobicContact CG-CE2 4.05Å; E155-F159 HydrophobicContact CG-CG 3.82Å; E155-F159 HydrophobicContact CG-CZ 4.41Å; E155-F159 WeakPolarHBondContact OE1-CE2 3.21Å; E155-F159 WeakPolarHBondContact OE2-CD2 3.12Å
156	P	90.9	Very high	93.7	Very high	51 Å²	51	56.5 Å²	56.5	33%	0.331	31%	0.306	S	S	.	.			trans	-71.7	158.3	176.1	32.2	-36.1	0	0	0	111.5	H158 F159	P156-H158 VanDerWaalsContact CB-CE1 3.43Å; P156-H158 WeakPolarHBondContact CB-CE1 3.38Å; P156-H158 PolarHBondContact O-N 2.93Å; P156-F159 HydrophobicContact CG-CB 4.45Å; P156-F159 VanDerWaalsContact O-CB 3.26Å; P156-F159 WeakPolarHBondContact O-CB 3.46Å; P156-F159 PolarHBondContact O-N 3.21Å
157	P	92.2	Very high	93.8	Very high	141 Å²	141	51.9 Å²	51.9	92%	0.916	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.3	-176.9	-28	35	0	0	0	115.6
158	H	92.6	Very high	94	Very high	75 Å²	75	52.8 Å²	52.8	35%	0.347	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.7	-179.4	61.8	-91.3	0	0	0	113.6	R92 P156 V160 E161 H162	R92-H158 PolarHBondContact NH2-NE2 2.6Å; P156-H158 VanDerWaalsContact CB-CE1 3.43Å; P156-H158 WeakPolarHBondContact CB-CE1 3.38Å; P156-H158 PolarHBondContact O-N 2.93Å; H158-V160 PolarHBondContact O-N 2.84Å; H158-E161 PolarHBondContact O-N 3.32Å; H158-H162 WeakPolarHBondContact O-CB 3.34Å; H158-H162 PolarHBondContact O-N 2.85Å
159	F	95	Very high	94.1	Very high	25 Å²	25	52.6 Å²	52.6	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-50.9	-177.9	174.2	-92.5	0	0	0	112.3	L145 E155 P156 E161 H162 I163	L145-F159 HydrophobicContact CD1-CD1 3.48Å; L145-F159 VanDerWaalsContact CD1-CD1 3.48Å; L145-F159 HydrophobicContact CD1-CE1 3.9Å; L145-F159 HydrophobicContact CD1-CG 4.25Å; E155-F159 HydrophobicContact CB-CB 3.82Å; E155-F159 HydrophobicContact CB-CD1 4.43Å; E155-F159 HydrophobicContact CB-CD2 4.12Å; E155-F159 HydrophobicContact CB-CG 3.87Å; E155-F159 VanDerWaalsContact CD-CE2 3.44Å; E155-F159 HydrophobicContact CG-CB 4.34Å; E155-F159 HydrophobicContact CG-CD1 4.19Å; E155-F159 HydrophobicContact CG-CD2 3.74Å; E155-F159 HydrophobicContact CG-CE1 4.48Å; E155-F159 HydrophobicContact CG-CE2 4.05Å; E155-F159 HydrophobicContact CG-CG 3.82Å; E155-F159 HydrophobicContact CG-CZ 4.41Å; E155-F159 WeakPolarHBondContact OE1-CE2 3.21Å; E155-F159 WeakPolarHBondContact OE2-CD2 3.12Å; P156-F159 HydrophobicContact CG-CB 4.45Å; P156-F159 VanDerWaalsContact O-CB 3.26Å; P156-F159 WeakPolarHBondContact O-CB 3.46Å; P156-F159 PolarHBondContact O-N 3.21Å; F159-E161 PolarHBondContact O-N 2.96Å; F159-H162 WeakPolarHBondContact O-CB 3.17Å; F159-H162 PolarHBondContact O-N 3.45Å; F159-I163 HydrophobicContact CD1-CG1 4.17Å; F159-I163 HydrophobicContact CE1-CD1 4.49Å; F159-I163 HydrophobicContact CE1-CG1 3.69Å; F159-I163 HydrophobicContact CE2-CD1 4.32Å; F159-I163 HydrophobicContact CE2-CG1 4.15Å; F159-I163 HydrophobicContact CZ-CD1 3.99Å; F159-I163 HydrophobicContact CZ-CG1 3.68Å; F159-I163 WeakPolarHBondContact O-CG1 3.43Å; F159-I163 PolarHBondContact O-N 3.4Å
160	V	97.1	Very high	94.1	Very high	17 Å²	17	52.5 Å²	52.5	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-41.5	-176.9	177.1	0	0	0	0	111.3	D141 I144 L145 H158 H162 I163 R164	D141-V160 HydrophobicContact CB-CB 4.46Å; D141-V160 HydrophobicContact CB-CG1 3.84Å; D141-V160 HydrophobicContact CB-CG2 4.31Å; D141-V160 WeakPolarHBondContact OD1-CG1 3.38Å; I144-V160 HydrophobicContact CB-CG1 4.12Å; I144-V160 HydrophobicContact CD1-CG1 4.12Å; I144-V160 HydrophobicContact CG2-CB 4.42Å; I144-V160 HydrophobicContact CG2-CG1 3.89Å; I144-V160 HydrophobicContact CG2-CG2 4.28Å; L145-V160 HydrophobicContact CB-CG2 4.02Å; L145-V160 HydrophobicContact CD1-CG2 4.4Å; H158-V160 PolarHBondContact O-N 2.84Å; V160-H162 VanDerWaalsContact C-N 3.31Å; V160-H162 PolarHBondContact O-N 3.35Å; V160-I163 PolarHBondContact O-N 2.92Å; V160-R164 HydrophobicContact CG1-CG 4.47Å; V160-R164 WeakPolarHBondContact O-CG 2.87Å; V160-R164 PolarHBondContact O-N 3.15Å
161	E	96.6	Very high	94.3	Very high	143 Å²	143	53.5 Å²	53.5	67%	0.668	28%	0.281	S	S	*	.	H	α-helix	trans	-57.9	-45.5	174.1	-175.2	-172.7	169.6	0	0	111.1	H158 F159 R164 S165	H158-E161 PolarHBondContact O-N 3.32Å; F159-E161 PolarHBondContact O-N 2.96Å; E161-R164 PolarHBondContact O-N 3.07Å; E161-S165 PolarHBondContact O-N 2.93Å
162	H	95.8	Very high	94.3	Very high	44 Å²	44	59.7 Å²	59.7	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-47.1	177.3	-177.1	80.2	0	0	0	111.8	E96 H158 F159 V160 R164 S165 T166	E96-H162 IonicContact OE1-CE1 2.78Å; E96-H162 PolarHBondContact OE1-CE1 3.33Å; E96-H162 IonicContact OE1-ND1 3.64Å; E96-H162 PolarHBondContact OE1-ND1 2.79Å; H158-H162 WeakPolarHBondContact O-CB 3.34Å; H158-H162 PolarHBondContact O-N 2.85Å; F159-H162 WeakPolarHBondContact O-CB 3.17Å; F159-H162 PolarHBondContact O-N 3.45Å; V160-H162 VanDerWaalsContact C-N 3.31Å; V160-H162 PolarHBondContact O-N 3.35Å; H162-R164 PolarHBondContact O-N 3.33Å; H162-S165 WeakPolarHBondContact O-CB 3.4Å; H162-S165 PolarHBondContact O-N 2.81Å; H162-T166 PolarHBondContact O-N 3.16Å; H162-T166 PolarHBondContact O-OG1 3.4Å; H162-T166 VanDerWaalsContact O-OG1 3.12Å
163	I	96.7	Very high	94.3	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-44.2	176.5	-68.6	-64.7	0	0	0	111.4	L104 I144 L148 F159 V160 S165 T166 L167	L104-I163 HydrophobicContact CD1-CD1 4.49Å; I144-I163 HydrophobicContact CG2-CB 4.05Å; I144-I163 HydrophobicContact CG2-CG2 3.67Å; L148-I163 HydrophobicContact CD1-CG2 3.63Å; F159-I163 HydrophobicContact CD1-CG1 4.17Å; F159-I163 HydrophobicContact CE1-CD1 4.49Å; F159-I163 HydrophobicContact CE1-CG1 3.69Å; F159-I163 HydrophobicContact CE2-CD1 4.32Å; F159-I163 HydrophobicContact CE2-CG1 4.15Å; F159-I163 HydrophobicContact CZ-CD1 3.99Å; F159-I163 HydrophobicContact CZ-CG1 3.68Å; F159-I163 WeakPolarHBondContact O-CG1 3.43Å; F159-I163 PolarHBondContact O-N 3.4Å; V160-I163 PolarHBondContact O-N 2.92Å; I163-S165 PolarHBondContact O-N 2.89Å; I163-T166 PolarHBondContact O-N 3.28Å; I163-L167 HydrophobicContact CG2-CD1 3.88Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 2.8Å; I163-L167 VanDerWaalsContact O-CG 3.31Å; I163-L167 WeakPolarHBondContact O-CG 3.32Å; I163-L167 PolarHBondContact O-N 3.46Å
164	R	97.1	Very high	94.1	Very high	64 Å²	64	57.1 Å²	57.1	24%	0.242	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-43.8	176.5	-72.9	-179.3	-179.1	-71.6	0.9	112	L137 Q139 D141 I144 V160 E161 H162 T166 L167 M168	L137-R164 PolarHBondContact O-NH1 2.95Å; Q139-R164 PolarHBondContact O-NH1 3.49Å; Q139-R164 PolarHBondContact O-NH2 3.12Å; D141-R164 IonicContact OD1-CZ 3.76Å; D141-R164 IonicContact OD1-NE 3.18Å; D141-R164 PolarHBondContact OD1-NE 3.47Å; D141-R164 IonicContact OD1-NH2 3.56Å; D141-R164 PolarHBondContact OD1-NH2 3.11Å; I144-R164 HydrophobicContact CD1-CG 3.84Å; V160-R164 HydrophobicContact CG1-CG 4.47Å; V160-R164 WeakPolarHBondContact O-CG 2.87Å; V160-R164 PolarHBondContact O-N 3.15Å; E161-R164 PolarHBondContact O-N 3.07Å; H162-R164 PolarHBondContact O-N 3.33Å; R164-T166 VanDerWaalsContact C-N 3.3Å; R164-T166 PolarHBondContact O-N 2.72Å; R164-L167 PolarHBondContact O-N 3.2Å; R164-M168 WeakPolarHBondContact O-CB 3.37Å; R164-M168 WeakPolarHBondContact O-CG 3.42Å; R164-M168 PolarHBondContact O-N 3.34Å
165	S	97.1	Very high	93.8	Very high	57 Å²	57	59.9 Å²	59.9	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-43.2	175.2	-170	0	0	0	0	111.5	Q97 E161 H162 I163 M168 F169	Q97-S165 VanDerWaalsContact OE1-C 3.29Å; Q97-S165 PolarHBondContact OE1-OG 2.77Å; E161-S165 PolarHBondContact O-N 2.93Å; H162-S165 WeakPolarHBondContact O-CB 3.4Å; H162-S165 PolarHBondContact O-N 2.81Å; I163-S165 PolarHBondContact O-N 2.89Å; S165-M168 PolarHBondContact O-N 3.32Å; S165-F169 WeakPolarHBondContact O-CB 3.34Å; S165-F169 PolarHBondContact O-N 3.22Å
166	T	96.1	Very high	93.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-41	177.6	-61.5	0	0	0	0	112.6	Q97 A100 A101 L104 H162 I163 R164 F169 L170	Q97-T166 VanDerWaalsContact OE1-N 3.08Å; Q97-T166 PolarHBondContact OE1-OG1 3.46Å; A100-T166 HydrophobicContact CB-CG2 3.97Å; A100-T166 WeakPolarHBondContact CB-OG1 3.48Å; A101-T166 VanDerWaalsContact CA-CG2 3.43Å; A101-T166 HydrophobicContact CB-CG2 3.97Å; L104-T166 HydrophobicContact CB-CG2 4.25Å; L104-T166 HydrophobicContact CD2-CG2 3.76Å; H162-T166 PolarHBondContact O-N 3.16Å; H162-T166 PolarHBondContact O-OG1 3.4Å; H162-T166 VanDerWaalsContact O-OG1 3.12Å; I163-T166 PolarHBondContact O-N 3.28Å; R164-T166 VanDerWaalsContact C-N 3.3Å; R164-T166 PolarHBondContact O-N 2.72Å; T166-F169 WeakPolarHBondContact O-CB 3.38Å; T166-F169 PolarHBondContact O-N 3.18Å; T166-L170 HydrophobicContact CG2-CD1 4.47Å; T166-L170 WeakPolarHBondContact O-CG 3.49Å; T166-L170 PolarHBondContact O-N 3.33Å
167	L	95.7	Very high	93.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-42.7	174	-72.2	170.4	0	0	0	111.6	L104 F130 V133 W136 L137 L148 I163 R164 F169 L170 K171	L104-L167 HydrophobicContact CD2-CD2 4Å; L104-L167 HydrophobicContact CD2-CG 4.31Å; F130-L167 HydrophobicContact CD1-CD2 3.72Å; F130-L167 HydrophobicContact CE1-CD2 3.49Å; F130-L167 VanDerWaalsContact CE1-CD2 3.49Å; F130-L167 HydrophobicContact CZ-CD2 4.25Å; V133-L167 HydrophobicContact CG1-CB 4.25Å; V133-L167 HydrophobicContact CG1-CD2 4.44Å; V133-L167 WeakPolarHBondContact CG1-O 3.27Å; W136-L167 HydrophobicContact CB-CD1 3.68Å; W136-L167 HydrophobicContact CB-CD2 4.31Å; L137-L167 HydrophobicContact CD2-CB 3.71Å; L137-L167 HydrophobicContact CD2-CD1 4.37Å; L137-L167 HydrophobicContact CG-CB 4.09Å; L148-L167 HydrophobicContact CD1-CD1 4.46Å; I163-L167 HydrophobicContact CG2-CD1 3.88Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 2.8Å; I163-L167 VanDerWaalsContact O-CG 3.31Å; I163-L167 WeakPolarHBondContact O-CG 3.32Å; I163-L167 PolarHBondContact O-N 3.46Å; R164-L167 PolarHBondContact O-N 3.2Å; L167-F169 VanDerWaalsContact C-N 3.29Å; L167-F169 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 3.44Å; L167-K171 PolarHBondContact O-N 2.95Å
168	M	95.9	Very high	92.8	Very high	110 Å²	110	56.7 Å²	56.7	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-38.9	173.5	-75.5	-65.2	-72.9	0	0	111.8	L137 R164 S165 K171 K172	L137-M168 HydrophobicContact CD1-CG 4.43Å; L137-M168 HydrophobicContact CD1-SD 3.66Å; L137-M168 HydrophobicContact CD2-CG 3.81Å; L137-M168 HydrophobicContact CD2-SD 3.98Å; L137-M168 HydrophobicContact CG-SD 4.48Å; R164-M168 WeakPolarHBondContact O-CB 3.37Å; R164-M168 WeakPolarHBondContact O-CG 3.42Å; R164-M168 PolarHBondContact O-N 3.34Å; S165-M168 PolarHBondContact O-N 3.32Å; M168-K171 PolarHBondContact O-N 3.12Å; M168-K172 WeakPolarHBondContact O-CB 3.31Å; M168-K172 PolarHBondContact O-N 3.34Å
169	F	95.1	Very high	92.4	Very high	35 Å²	35	56.8 Å²	56.8	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-46.7	175.4	-171.3	-91.7	0	0	0	111.9	Q97 L98 A101 W127 S165 T166 L167 K171 K172 H173 L180	Q97-F169 HydrophobicContact CB-CB 4.29Å; Q97-F169 HydrophobicContact CB-CD1 4.49Å; Q97-F169 HydrophobicContact CB-CD2 3.73Å; Q97-F169 HydrophobicContact CB-CE2 4.13Å; Q97-F169 HydrophobicContact CB-CG 3.92Å; L98-F169 HydrophobicContact CB-CE1 4.17Å; L98-F169 HydrophobicContact CB-CZ 4.03Å; L98-F169 HydrophobicContact CD1-CE1 3.77Å; L98-F169 HydrophobicContact CD1-CZ 3.95Å; A101-F169 HydrophobicContact CB-CD1 3.79Å; A101-F169 HydrophobicContact CB-CE1 4.3Å; W127-F169 HydrophobicContact CH2-CD1 4.24Å; W127-F169 AromaticContact CH2-CE1 3.89Å; W127-F169 HydrophobicContact CH2-CE1 3.89Å; S165-F169 WeakPolarHBondContact O-CB 3.34Å; S165-F169 PolarHBondContact O-N 3.22Å; T166-F169 WeakPolarHBondContact O-CB 3.38Å; T166-F169 PolarHBondContact O-N 3.18Å; L167-F169 VanDerWaalsContact C-N 3.29Å; L167-F169 PolarHBondContact O-N 2.84Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.08Å; F169-K172 PolarHBondContact O-N 2.93Å; F169-H173 AromaticContact CD2-CD2 3.92Å; F169-H173 AromaticContact CE2-CD2 3.72Å; F169-H173 AromaticContact CZ-CD2 3.83Å; F169-H173 PolarHBondContact O-CD2 2.92Å; F169-H173 PolarHBondContact O-N 3.26Å; F169-L180 HydrophobicContact CE1-CD1 3.97Å; F169-L180 HydrophobicContact CZ-CD1 3.63Å
170	L	93	Very high	92.2	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-58.3	-43.6	174.7	-75.3	165.8	0	0	0	111.8	A101 L104 W127 F130 V133 T166 L167 K172 H173	A101-L170 HydrophobicContact CB-CD2 3.72Å; A101-L170 HydrophobicContact CB-CG 3.82Å; L104-L170 HydrophobicContact CD2-CD1 3.97Å; L104-L170 HydrophobicContact CG-CD1 4.49Å; W127-L170 HydrophobicContact CD2-CD2 3.79Å; W127-L170 HydrophobicContact CE3-CD2 4.23Å; W127-L170 HydrophobicContact CG-CD2 4.22Å; W127-L170 HydrophobicContact CH2-CD2 4.26Å; W127-L170 HydrophobicContact CZ2-CD2 3.74Å; W127-L170 HydrophobicContact CZ3-CD2 4.45Å; F130-L170 HydrophobicContact CB-CD1 3.88Å; F130-L170 HydrophobicContact CD2-CD1 4.3Å; F130-L170 HydrophobicContact CG-CD1 4.03Å; V133-L170 HydrophobicContact CG2-CB 4.46Å; T166-L170 HydrophobicContact CG2-CD1 4.47Å; T166-L170 WeakPolarHBondContact O-CG 3.49Å; T166-L170 PolarHBondContact O-N 3.33Å; L167-L170 PolarHBondContact O-N 3.44Å; L170-K172 PolarHBondContact O-N 3.38Å; L170-H173 CarbonylContact O-C 3.38Å; L170-H173 PolarHBondContact O-N 3.03Å
171	K	92.6	Very high	91.8	Very high	106 Å²	106	56.6 Å²	56.6	46%	0.461	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-41	176.5	-173.4	172.6	175.5	175.2	0	112.4	V133 D134 L137 L167 M168 F169 H173	V133-K171 HydrophobicContact CG1-CB 3.89Å; D134-K171 WeakPolarHBondContact OD1-CE 2.91Å; D134-K171 IonicContact OD1-NZ 2.63Å; D134-K171 PolarHBondContact OD1-NZ 2.8Å; L137-K171 HydrophobicContact CD1-CD 4Å; L167-K171 PolarHBondContact O-N 2.95Å; M168-K171 PolarHBondContact O-N 3.12Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.08Å; K171-H173 VanDerWaalsContact C-N 3.35Å
172	K	92.7	Very high	91.2	Very high	155 Å²	155	54.8 Å²	54.8	67%	0.674	29%	0.29	S	S	*	.	H	α-helix	trans	-70.9	-31.2	-180	-174.6	-179.6	174.3	-173.2	0	112.5	M168 F169 L170 P174	M168-K172 WeakPolarHBondContact O-CB 3.31Å; M168-K172 PolarHBondContact O-N 3.34Å; F169-K172 PolarHBondContact O-N 2.93Å; L170-K172 PolarHBondContact O-N 3.38Å; K172-P174 VanDerWaalsContact C-CD 3.43Å; K172-P174 WeakPolarHBondContact O-CD 3.35Å
173	H	91.4	Very high	90.6	Very high	22 Å²	22	56.3 Å²	56.3	10%	0.102	32%	0.318	C	S	.	.			trans	-122.2	61	-173.9	-62.5	-67.5	0	0	0	112.1	W127 F169 L170 K171 S175 P176 T179 L180	W127-H173 HydrophobicContact CZ2-CB 4.12Å; W127-H173 WeakPolarHBondContact CZ2-O 3.5Å; W127-H173 PolarHBondContact NE1-O 3.25Å; F169-H173 AromaticContact CD2-CD2 3.92Å; F169-H173 AromaticContact CE2-CD2 3.72Å; F169-H173 AromaticContact CZ-CD2 3.83Å; F169-H173 PolarHBondContact O-CD2 2.92Å; F169-H173 PolarHBondContact O-N 3.26Å; L170-H173 CarbonylContact O-C 3.38Å; L170-H173 PolarHBondContact O-N 3.03Å; K171-H173 VanDerWaalsContact C-N 3.35Å; H173-S175 PolarHBondContact O-N 3.39Å; H173-P176 WeakPolarHBondContact O-CD 3.37Å; H173-T179 PolarHBondContact ND1-OG1 3.16Å; H173-T179 VanDerWaalsContact ND1-OG1 3.16Å; H173-L180 HydrophobicContact CB-CD1 4.26Å
174	P	87.7	Confident	90.1	Very high	74 Å²	74	61.1 Å²	61.1	48%	0.481	34%	0.344	S	S	.	.	S	Bend	trans	-60.6	-24	-176.8	26.3	-35.2	0	0	0	113.4	K172	K172-P174 VanDerWaalsContact C-CD 3.43Å; K172-P174 WeakPolarHBondContact O-CD 3.35Å
175	S	86.2	Confident	89.7	Confident	64 Å²	64	62.5 Å²	62.5	45%	0.448	35%	0.351	S	S	.	.	S	Bend	trans	-129	74.5	177.6	-58.7	0	0	0	0	110.9	H173 A177 H178 T179	H173-S175 PolarHBondContact O-N 3.39Å; S175-A177 VanDerWaalsContact C-N 3.29Å; S175-A177 PolarHBondContact O-N 3.35Å; S175-H178 PolarHBondContact O-N 3.49Å; S175-H178 VanDerWaalsContact O-N 3.12Å; S175-T179 PolarHBondContact O-N 2.91Å; S175-T179 PolarHBondContact O-OG1 2.97Å
176	P	86.9	Confident	89.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-34.1	-170.6	25.8	-36.3	0	0	0	113.3	Y125 W127 H173 H178 T179 L180 F181	Y125-P176 HydrophobicContact CD2-CG 4.42Å; Y125-P176 WeakPolarHBondContact O-CG 3.42Å; W127-P176 HydrophobicContact CD2-CG 3.63Å; W127-P176 HydrophobicContact CE3-CB 4.47Å; W127-P176 HydrophobicContact CE3-CG 3.72Å; W127-P176 HydrophobicContact CG-CG 4.41Å; W127-P176 HydrophobicContact CH2-CB 3.5Å; W127-P176 HydrophobicContact CH2-CG 3.55Å; W127-P176 HydrophobicContact CZ2-CB 3.75Å; W127-P176 HydrophobicContact CZ2-CG 3.51Å; W127-P176 HydrophobicContact CZ3-CB 3.93Å; W127-P176 HydrophobicContact CZ3-CG 3.67Å; H173-P176 WeakPolarHBondContact O-CD 3.37Å; P176-H178 PolarHBondContact O-N 2.99Å; P176-H178 VanDerWaalsContact O-N 3.08Å; P176-T179 PolarHBondContact O-N 3.21Å; P176-L180 HydrophobicContact CB-CD1 3.86Å; P176-L180 HydrophobicContact CB-CG 4.39Å; P176-L180 WeakPolarHBondContact O-CB 3.45Å; P176-L180 PolarHBondContact O-N 3.2Å; P176-F181 HydrophobicContact CB-CE2 4.49Å; P176-F181 WeakPolarHBondContact O-CD2 3.37Å
177	A	85.5	Confident	89.4	Confident	13 Å²	13	61 Å²	61	11%	0.107	34%	0.341	C	S	.	.	H	α-helix	trans	-49.4	-36.1	175.2	0	0	0	0	0	113.2	Y125 S175	Y125-A177 PolarHBondContact O-N 2.99Å; S175-A177 VanDerWaalsContact C-N 3.29Å; S175-A177 PolarHBondContact O-N 3.35Å
178	H	81.1	Confident	89.4	Confident	163 Å²	163	61.7 Å²	61.7	76%	0.755	34%	0.344	S	S	*	.	H	α-helix	trans	-96.2	-31.8	-179.4	-60.9	-65.8	0	0	0	113.1	S175 P176	S175-H178 PolarHBondContact O-N 3.49Å; S175-H178 VanDerWaalsContact O-N 3.12Å; P176-H178 PolarHBondContact O-N 2.99Å; P176-H178 VanDerWaalsContact O-N 3.08Å
179	T	86.1	Confident	89.4	Confident	77 Å²	77	57.6 Å²	57.6	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-90	-25	-174.3	61.1	0	0	0	0	114	H173 S175 P176	H173-T179 PolarHBondContact ND1-OG1 3.16Å; H173-T179 VanDerWaalsContact ND1-OG1 3.16Å; S175-T179 PolarHBondContact O-N 2.91Å; S175-T179 PolarHBondContact O-OG1 2.97Å; P176-T179 PolarHBondContact O-N 3.21Å
180	L	89.4	Confident	89.5	Confident	36 Å²	36	59.1 Å²	59.1	19%	0.188	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-25.2	-172.5	-61.2	179.1	0	0	0	113.3	L98 F169 H173 P176	L98-L180 HydrophobicContact CD1-CD1 3.41Å; L98-L180 VanDerWaalsContact CD1-CD1 3.41Å; L98-L180 HydrophobicContact CD2-CD1 4.46Å; F169-L180 HydrophobicContact CE1-CD1 3.97Å; F169-L180 HydrophobicContact CZ-CD1 3.63Å; H173-L180 HydrophobicContact CB-CD1 4.26Å; P176-L180 HydrophobicContact CB-CD1 3.86Å; P176-L180 HydrophobicContact CB-CG 4.39Å; P176-L180 WeakPolarHBondContact O-CB 3.45Å; P176-L180 PolarHBondContact O-N 3.2Å
181	F	90.1	Very high	89.6	Confident	2 Å²	2	64 Å²	64	1%	0.009	35%	0.351	C	S	.	.	S	Bend	trans	-112.2	82.4	-176.9	-58.3	-81.4	0	0	0	110.7	L98 I122 G123 P124 Y125 P176 G183 N184 K185 L187	L98-F181 HydrophobicContact CD2-CZ 3.99Å; I122-F181 HydrophobicContact CG2-CE1 4.07Å; I122-F181 HydrophobicContact CG2-CZ 4.02Å; I122-F181 WeakPolarHBondContact O-CE1 2.98Å; G123-F181 VanDerWaalsContact O-CE1 3.24Å; G123-F181 WeakPolarHBondContact O-CE1 3.37Å; G123-F181 VanDerWaalsContact O-CZ 3.24Å; G123-F181 WeakPolarHBondContact O-CZ 3.48Å; P124-F181 HydrophobicContact CB-CB 3.94Å; P124-F181 HydrophobicContact CB-CD1 4.19Å; P124-F181 HydrophobicContact CB-CD2 4.02Å; P124-F181 HydrophobicContact CB-CG 3.77Å; P124-F181 HydrophobicContact CG-CB 4.03Å; P124-F181 HydrophobicContact CG-CD1 4.17Å; P124-F181 HydrophobicContact CG-CG 4.09Å; Y125-F181 AromaticContact CD1-CE2 3.74Å; Y125-F181 HydrophobicContact CD1-CE2 3.74Å; Y125-F181 AromaticContact CD1-CZ 3.57Å; Y125-F181 HydrophobicContact CD1-CZ 3.57Å; Y125-F181 AromaticContact CE1-CE2 3.85Å; Y125-F181 HydrophobicContact CE1-CE2 3.85Å; Y125-F181 AromaticContact CE1-CZ 3.48Å; Y125-F181 HydrophobicContact CE1-CZ 3.48Å; Y125-F181 VanDerWaalsContact CE1-CZ 3.48Å; Y125-F181 HydrophobicContact CG-CE2 4.47Å; P176-F181 HydrophobicContact CB-CE2 4.49Å; P176-F181 WeakPolarHBondContact O-CD2 3.37Å; F181-G183 PolarHBondContact O-N 3.44Å; F181-G183 VanDerWaalsContact O-N 3.15Å; F181-N184 PolarHBondContact O-N 3.28Å; F181-K185 WeakPolarHBondContact CD1-O 3.48Å; F181-L187 HydrophobicContact CD1-CD1 4.4Å; F181-L187 HydrophobicContact CD1-CG 3.91Å; F181-L187 HydrophobicContact CE1-CD1 3.87Å; F181-L187 HydrophobicContact CE1-CG 3.7Å; F181-L187 HydrophobicContact CZ-CD1 4.42Å
182	S	83.3	Confident	89.7	Confident	105 Å²	105	60.8 Å²	60.8	73%	0.734	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-53.8	120.4	178.6	-60.4	0	0	0	0	111.4	N184 K185	S182-N184 PolarHBondContact O-N 3.14Å; S182-K185 WeakPolarHBondContact O-CB 3.41Å; S182-K185 PolarHBondContact O-N 3.27Å
183	G	83.3	Confident	89.8	Confident	76 Å²	76	63.1 Å²	63.1	78%	0.784	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	65.1	25.1	-178.4	0	0	0	0	0	114.1	F181 K185	F181-G183 PolarHBondContact O-N 3.44Å; F181-G183 VanDerWaalsContact O-N 3.15Å; G183-K185 PolarHBondContact O-N 3.14Å
184	N	84.7	Confident	89.9	Confident	115 Å²	115	68.6 Å²	68.6	62%	0.615	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	57.8	31.5	-177.1	-161.4	45.7	0	0	0	112.8	P124 F181 S182	P124-N184 WeakPolarHBondContact CB-OD1 3.5Å; P124-N184 VanDerWaalsContact CG-C 3.5Å; P124-N184 VanDerWaalsContact CG-O 3.23Å; P124-N184 WeakPolarHBondContact CG-O 3.49Å; P124-N184 VanDerWaalsContact CG-OD1 3.28Å; P124-N184 WeakPolarHBondContact CG-OD1 3.26Å; F181-N184 PolarHBondContact O-N 3.28Å; S182-N184 PolarHBondContact O-N 3.14Å
185	K	89.5	Confident	90	Very high	93 Å²	93	66.6 Å²	66.6	40%	0.404	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-94.4	145.7	178.1	-65.1	-175.7	176.3	-175.5	0	110.7	F181 S182 G183 G204	F181-K185 WeakPolarHBondContact CD1-O 3.48Å; S182-K185 WeakPolarHBondContact O-CB 3.41Å; S182-K185 PolarHBondContact O-N 3.27Å; G183-K185 PolarHBondContact O-N 3.14Å; K185-G204 PolarHBondContact NZ-O 2.63Å
186	A	92.4	Very high	90.3	Very high	14 Å²	14	68.5 Å²	68.5	12%	0.116	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-66.4	147.5	174.8	0	0	0	0	0	111.5	R121 I122 L188	R121-A186 HydrophobicContact CG-CB 3.84Å; I122-A186 CarbonylContact O-C 3.5Å; I122-A186 VanDerWaalsContact O-CA 3.25Å; I122-A186 WeakPolarHBondContact O-CA 3.47Å; I122-A186 WeakPolarHBondContact O-CB 3.41Å; A186-L188 HydrophobicContact CB-CD2 4.22Å
187	L	94.3	Very high	90.7	Very high	14 Å²	14	71.5 Å²	71.5	7%	0.073	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.2	167	-55.3	174.6	0	0	0	108.2	E95 L98 I122 F181 Y189	E95-L187 HydrophobicContact CG-CD1 4.01Å; L98-L187 HydrophobicContact CD2-CD1 3.63Å; I122-L187 HydrophobicContact CB-CB 4.39Å; I122-L187 PolarHBondContact N-O 2.67Å; I122-L187 PolarHBondContact O-N 2.65Å; F181-L187 HydrophobicContact CD1-CD1 4.4Å; F181-L187 HydrophobicContact CD1-CG 3.91Å; F181-L187 HydrophobicContact CE1-CD1 3.87Å; F181-L187 HydrophobicContact CE1-CG 3.7Å; F181-L187 HydrophobicContact CZ-CD1 4.42Å; L187-Y189 HydrophobicContact CB-CE2 3.85Å
188	L	95.7	Very high	91.2	Very high	15 Å²	15	75.9 Å²	75.9	8%	0.079	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.3	-177	-58	-178.9	0	0	0	109.9	L120 R121 A186 K199 I200	L120-L188 CarbonylContact O-C 3.57Å; L120-L188 WeakPolarHBondContact O-CA 3.11Å; R121-L188 HydrophobicContact CB-CD2 3.89Å; R121-L188 HydrophobicContact CG-CD2 3.69Å; A186-L188 HydrophobicContact CB-CD2 4.22Å; L188-K199 WeakPolarHBondContact O-CA 3.2Å; L188-I200 HydrophobicContact CB-CD1 3.99Å; L188-I200 HydrophobicContact CB-CG1 3.42Å; L188-I200 VanDerWaalsContact CB-CG1 3.42Å; L188-I200 HydrophobicContact CD1-CG1 4.43Å; L188-I200 PolarHBondContact O-N 2.92Å
189	Y	97.1	Very high	91.8	Very high	23 Å²	23	74.3 Å²	74.3	9%	0.09	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.9	177.3	-64.7	-89.9	0	0	0	110.5	P94 E95 Q119 L120 L187 E198 K199	P94-Y189 HydrophobicContact CB-CD1 3.69Å; P94-Y189 HydrophobicContact CB-CD2 3.65Å; P94-Y189 HydrophobicContact CB-CE1 3.83Å; P94-Y189 HydrophobicContact CB-CE2 3.76Å; P94-Y189 HydrophobicContact CB-CG 3.63Å; P94-Y189 HydrophobicContact CG-CD1 3.66Å; P94-Y189 HydrophobicContact CG-CD2 4.06Å; P94-Y189 HydrophobicContact CG-CE1 4.27Å; P94-Y189 HydrophobicContact CG-CG 3.57Å; E95-Y189 HydrophobicContact CG-CE2 3.64Å; E95-Y189 PolarHBondContact OE1-OH 3.49Å; Q119-Y189 CarbonylContact C-O 3.6Å; Q119-Y189 WeakPolarHBondContact CA-O 3.3Å; L120-Y189 HydrophobicContact CD2-CD2 4.05Å; L120-Y189 PolarHBondContact N-O 3.33Å; L120-Y189 PolarHBondContact O-N 2.91Å; L187-Y189 HydrophobicContact CB-CE2 3.85Å; Y189-E198 CarbonylContact C-O 3.5Å; Y189-E198 WeakPolarHBondContact CA-O 3.4Å; Y189-K199 HydrophobicContact CD1-CB 3.98Å; Y189-K199 HydrophobicContact CD1-CG 4.44Å; Y189-K199 HydrophobicContact CE1-CB 3.58Å; Y189-K199 HydrophobicContact CE1-CD 4.31Å; Y189-K199 HydrophobicContact CE1-CG 3.88Å
190	K	96.6	Very high	92.2	Very high	67 Å²	67	73.2 Å²	73.2	29%	0.291	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.8	172.8	-172.8	160	-177.8	151.8	0	109.8	T117 E118 Q119 E198 I200	T117-K190 PolarHBondContact O-NZ 2.92Å; E118-K190 IonicContact OE2-NZ 3.4Å; E118-K190 PolarHBondContact OE2-NZ 2.91Å; Q119-K190 HydrophobicContact CG-CB 4.37Å; Q119-K190 HydrophobicContact CG-CD 4.29Å; K190-E198 PolarHBondContact N-O 3.36Å; K190-E198 PolarHBondContact O-N 3.49Å; K190-I200 HydrophobicContact CB-CD1 4.27Å; K190-I200 HydrophobicContact CB-CG2 4.23Å
191	K	94.6	Very high	91.9	Very high	110 Å²	110	76.2 Å²	76.2	48%	0.478	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.9	172.7	-73	-171.4	171.2	-167.6	0	110.6	G195 L196 W197	K191-G195 WeakPolarHBondContact CD-O 3.38Å; K191-L196 CarbonylContact C-O 3.52Å; K191-L196 VanDerWaalsContact CA-O 3.25Å; K191-L196 WeakPolarHBondContact CA-O 3.38Å; K191-W197 HydrophobicContact CD-CZ2 4.38Å; K191-W197 HydrophobicContact CG-CD2 3.86Å; K191-W197 HydrophobicContact CG-CE3 3.84Å; K191-W197 HydrophobicContact CG-CG 4.48Å; K191-W197 HydrophobicContact CG-CH2 4.16Å; K191-W197 HydrophobicContact CG-CZ2 4.18Å; K191-W197 HydrophobicContact CG-CZ3 3.99Å
192	N	94.5	Very high	90.7	Very high	38 Å²	38	77.5 Å²	77.5	20%	0.203	42%	0.424	C	S	.	.			trans	-79.4	-176.6	171.1	71.6	6.7	0	0	0	111.3	D194 G195 L196 E198	N192-D194 PolarHBondContact O-N 3.33Å; N192-D194 WeakPolarHBondContact OD1-CA 3.47Å; N192-D194 WeakPolarHBondContact OD1-CB 3.42Å; N192-D194 PolarHBondContact OD1-N 3.27Å; N192-G195 PolarHBondContact O-N 3.15Å; N192-G195 PolarHBondContact OD1-N 3.45Å; N192-G195 VanDerWaalsContact OD1-N 3.12Å; N192-L196 PolarHBondContact N-O 3.45Å; N192-L196 PolarHBondContact OD1-N 3.35Å; N192-L196 PolarHBondContact OD1-O 3.43Å; N192-E198 HydrophobicContact CB-CG 4.15Å; N192-E198 PolarHBondContact ND2-OE1 3.28Å
193	E	94.6	Very high	89.4	Confident	204 Å²	204	78.5 Å²	78.5	95%	0.953	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.2	-179.7	-63.2	-176.3	174.8	0	0	113	G195	E193-G195 PolarHBondContact O-N 3.16Å
194	D	93.8	Very high	88	Confident	137 Å²	137	77.7 Å²	77.7	73%	0.733	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.3	175.1	-59.1	-47.4	0	0	0	112.9	N192 L196	N192-D194 PolarHBondContact O-N 3.33Å; N192-D194 WeakPolarHBondContact OD1-CA 3.47Å; N192-D194 WeakPolarHBondContact OD1-CB 3.42Å; N192-D194 PolarHBondContact OD1-N 3.27Å; D194-L196 VanDerWaalsContact C-N 3.31Å; D194-L196 HydrophobicContact CB-CD1 4.42Å; D194-L196 HydrophobicContact CB-CG 4.28Å; D194-L196 PolarHBondContact O-N 3.01Å
195	G	90.2	Very high	85.9	Confident	32 Å²	32	80.1 Å²	80.1	33%	0.33	45%	0.445	S	S	.	.	S	Bend	trans	78.6	10.3	-178.7	0	0	0	0	0	114.8	K191 N192 E193	K191-G195 WeakPolarHBondContact CD-O 3.38Å; N192-G195 PolarHBondContact O-N 3.15Å; N192-G195 PolarHBondContact OD1-N 3.45Å; N192-G195 VanDerWaalsContact OD1-N 3.12Å; E193-G195 PolarHBondContact O-N 3.16Å
196	L	92.9	Very high	85.8	Confident	104 Å²	104	79.5 Å²	79.5	55%	0.545	45%	0.448	S	S	.	.			trans	-87.1	143.5	178.2	-59.1	176.9	0	0	0	111.1	K191 N192 D194 E198	K191-L196 CarbonylContact C-O 3.52Å; K191-L196 VanDerWaalsContact CA-O 3.25Å; K191-L196 WeakPolarHBondContact CA-O 3.38Å; N192-L196 PolarHBondContact N-O 3.45Å; N192-L196 PolarHBondContact OD1-N 3.35Å; N192-L196 PolarHBondContact OD1-O 3.43Å; D194-L196 VanDerWaalsContact C-N 3.31Å; D194-L196 HydrophobicContact CB-CD1 4.42Å; D194-L196 HydrophobicContact CB-CG 4.28Å; D194-L196 PolarHBondContact O-N 3.01Å; L196-E198 PolarHBondContact O-N 3.38Å
197	W	94.8	Very high	85.4	Confident	64 Å²	64	82.9 Å²	82.9	24%	0.242	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.4	177	-68.2	105.7	0	0	0	112.1	P94 Y113 L120 K191	P94-W197 HydrophobicContact CG-CB 3.58Å; P94-W197 HydrophobicContact CG-CD2 3.89Å; P94-W197 HydrophobicContact CG-CE3 4.3Å; P94-W197 HydrophobicContact CG-CG 3.59Å; Y113-W197 HydrophobicContact CD2-CH2 4.42Å; Y113-W197 HydrophobicContact CE2-CH2 4.23Å; L120-W197 HydrophobicContact CB-CH2 4.11Å; L120-W197 HydrophobicContact CB-CZ3 3.9Å; L120-W197 HydrophobicContact CD1-CH2 4.47Å; K191-W197 HydrophobicContact CD-CZ2 4.38Å; K191-W197 HydrophobicContact CG-CD2 3.86Å; K191-W197 HydrophobicContact CG-CE3 3.84Å; K191-W197 HydrophobicContact CG-CG 4.48Å; K191-W197 HydrophobicContact CG-CH2 4.16Å; K191-W197 HydrophobicContact CG-CZ2 4.18Å; K191-W197 HydrophobicContact CG-CZ3 3.99Å
198	E	95.8	Very high	84.9	Confident	104 Å²	104	86.8 Å²	86.8	49%	0.486	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.5	174.8	-69.4	-176.3	170.8	0	0	110.9	Y189 K190 N192 L196	Y189-E198 CarbonylContact C-O 3.5Å; Y189-E198 WeakPolarHBondContact CA-O 3.4Å; K190-E198 PolarHBondContact N-O 3.36Å; K190-E198 PolarHBondContact O-N 3.49Å; N192-E198 HydrophobicContact CB-CG 4.15Å; N192-E198 PolarHBondContact ND2-OE1 3.28Å; L196-E198 PolarHBondContact O-N 3.38Å
199	K	94.9	Very high	84.3	Confident	131 Å²	131	91 Å²	91	57%	0.57	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.9	174.2	-168.4	172.6	-175.1	167.1	0	109.1	L188 Y189	L188-K199 WeakPolarHBondContact O-CA 3.2Å; Y189-K199 HydrophobicContact CD1-CB 3.98Å; Y189-K199 HydrophobicContact CD1-CG 4.44Å; Y189-K199 HydrophobicContact CE1-CB 3.58Å; Y189-K199 HydrophobicContact CE1-CD 4.31Å; Y189-K199 HydrophobicContact CE1-CG 3.88Å
200	I	93.4	Very high	83.5	Confident	53 Å²	53	95.3 Å²	95.3	27%	0.272	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.3	178.5	65.3	176.4	0	0	0	110.9	Q119 L188 K190	Q119-I200 HydrophobicContact CG-CD1 4.03Å; L188-I200 HydrophobicContact CB-CD1 3.99Å; L188-I200 HydrophobicContact CB-CG1 3.42Å; L188-I200 VanDerWaalsContact CB-CG1 3.42Å; L188-I200 HydrophobicContact CD1-CG1 4.43Å; L188-I200 PolarHBondContact O-N 2.92Å; K190-I200 HydrophobicContact CB-CD1 4.27Å; K190-I200 HydrophobicContact CB-CG2 4.23Å
201	S	82.8	Confident	82.6	Confident	99 Å²	99	97.1 Å²	97.1	69%	0.692	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-67.7	136	176.1	-60.3	0	0	0	0	110.3
202	S	65.9	Low	81.8	Confident	30 Å²	30	96.2 Å²	96.2	21%	0.21	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-62.2	131.3	167.9	-47.5	0	0	0	0	109.1	G204	S202-G204 PolarHBondContact O-N 2.7Å; S202-G204 VanDerWaalsContact O-N 3.16Å
203	P	54.7	Low	80.8	Confident	125 Å²	125	100.7 Å²	100.7	81%	0.812	59%	0.586	S	S	*	*	S	Bend	trans	-57.2	124.1	175.4	7.8	-11.1	0	0	0	109.5
204	G	55.6	Low	79.6	Confident	59 Å²	59	92.1 Å²	92.1	61%	0.608	56%	0.556	S	S	*	*			trans	110	51.3	-176	0	0	0	0	0	114.6	K185 S202	K185-G204 PolarHBondContact NZ-O 2.63Å; S202-G204 PolarHBondContact O-N 2.7Å; S202-G204 VanDerWaalsContact O-N 3.16Å
205	S	40.8	Very low	78.3	Confident	167 Å²	167	88 Å²	88	100%	1.168	54%	0.539	S	S	*	.			trans	-90.1	0	157.7	-59.3	0	0	0	0	109.8

Retrieved 205 of 205 residues in 452.4 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).