PDIA1_HUMAN Loading...

Protein disulfide-isomerase

This multifunctional protein catalyzes the formation, breakage and rearrangement of disulfide bonds. At the cell surface, seems to act as a reductase that cleaves disulfide bonds of proteins attached to the cell. May therefore cause structural modifications of exofacial proteins. Inside the cell, seems to form/rearrange disulfide bonds of nascent proteins. At high concentrations and following phosphorylation by FAM20C, functions as a chaperone that inhibits aggregation of misfolded proteins¹. At low concentrations, facilitates aggregation (anti-chaperone activity). May be involved with other chaperones in the structural modification of the TG precursor in hormone biogenesis. Also acts as a structural subunit of various enzymes such as prolyl 4-hydroxylase and microsomal triacylglycerol transfer protein MTTP. Receptor for LGALS9; the interaction retains P4HB at the cell surface of Th2 T helper cells, increasing disulfide reductase activity at the plasma membrane, altering the plasma membrane redox state and enhancing cell migration².

AlphaFold DB , UniProt , Accession P07237, Species HUMAN (Homo sapiens, Human), Gene P4HB, Length 508 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	40.8	Very low	37.4	Very low	238 Å²	238	164.1 Å²	164.1	100%	1.172	87%	0.865	S	S	*	*				0	96	0	-67.8	-177.5	-170.6	0	0	108.1
2	L	36.1	Very low	37.5	Very low	176 Å²	176	157.6 Å²	157.6	92%	0.921	85%	0.852	S	S	*	*			trans	-163.7	99.6	161.1	-123.7	98	0	0	0	106.6
3	R	37.2	Very low	37.2	Very low	254 Å²	254	151.9 Å²	151.9	96%	0.958	84%	0.84	S	S	*	*			trans	-72.2	120.4	174.5	-83	177.3	166.9	-177.5	-4.3	108
4	R	39.7	Very low	37.1	Very low	243 Å²	243	152.2 Å²	152.2	92%	0.917	84%	0.838	S	S	*	*			trans	-81.5	115.9	164.4	-82.6	-176.6	165	-169.4	-4.7	108.2
5	A	40.7	Very low	37	Very low	97 Å²	97	151 Å²	151	80%	0.802	84%	0.836	S	S	*	*			trans	-69.3	134.7	175.4	0	0	0	0	0	110.4	L7	A5-L7 PolarHBondContact O-N 2.95Å
6	L	38.5	Very low	37.3	Very low	162 Å²	162	155.3 Å²	155.3	85%	0.848	84%	0.836	S	S	*	*			trans	-65.6	122.2	164.9	-111.3	82.5	0	0	0	108.3	C8	L6-C8 PolarHBondContact O-N 3.27Å
7	L	37.4	Very low	37.9	Very low	157 Å²	157	149.2 Å²	149.2	82%	0.822	81%	0.812	S	S	*	*			trans	-83.3	98.7	167.2	-156.9	84.6	0	0	0	107.1	A5 L9	A5-L7 PolarHBondContact O-N 2.95Å; L7-L9 HydrophobicContact CD2-CD1 4.34Å; L7-L9 PolarHBondContact O-N 3.34Å
8	C	33.5	Very low	38.9	Very low	114 Å²	114	149.4 Å²	149.4	77%	0.77	81%	0.812	S	S	*	*			trans	-73.4	106.2	166.9	-76.9	0	0	0	0	108.3	L6 A10	L6-C8 PolarHBondContact O-N 3.27Å; C8-A10 PolarHBondContact O-N 3.36Å; C8-A10 VanDerWaalsContact O-N 3.15Å
9	L	35.2	Very low	40.1	Very low	144 Å²	144	145.9 Å²	145.9	75%	0.754	81%	0.806	S	S	*	*			trans	-72.5	98.2	168.1	-136.7	94	0	0	0	107.7	L7 V11	L7-L9 HydrophobicContact CD2-CD1 4.34Å; L7-L9 PolarHBondContact O-N 3.34Å; L9-V11 PolarHBondContact O-N 3.06Å
10	A	35.8	Very low	41.6	Very low	97 Å²	97	140.2 Å²	140.2	80%	0.802	78%	0.775	S	S	*	*			trans	-76.1	103.8	166.6	0	0	0	0	0	108	C8 A12	C8-A10 PolarHBondContact O-N 3.36Å; C8-A10 VanDerWaalsContact O-N 3.15Å; A10-A12 PolarHBondContact O-N 3.44Å; A10-A12 VanDerWaalsContact O-N 3.16Å
11	V	36.5	Very low	43.6	Very low	123 Å²	123	139.9 Å²	139.9	75%	0.745	77%	0.768	S	S	*	*			trans	-73.1	100.6	166.1	176.6	0	0	0	0	106.4	L9 A13	L9-V11 PolarHBondContact O-N 3.06Å; V11-A13 PolarHBondContact O-N 3.3Å; V11-A13 VanDerWaalsContact O-N 3.14Å
12	A	37.9	Very low	46.1	Very low	86 Å²	86	132 Å²	132	71%	0.711	73%	0.729	S	S	*	*			trans	-68.8	104	165.1	0	0	0	0	0	107.5	A10 L14	A10-A12 PolarHBondContact O-N 3.44Å; A10-A12 VanDerWaalsContact O-N 3.16Å; A12-L14 PolarHBondContact O-N 2.85Å; A12-L14 VanDerWaalsContact O-N 3.12Å
13	A	34.3	Very low	48.9	Very low	84 Å²	84	128.5 Å²	128.5	69%	0.694	71%	0.708	S	S	*	*			trans	-67.3	104.7	165.1	0	0	0	0	0	107.5	V11 V15	V11-A13 PolarHBondContact O-N 3.3Å; V11-A13 VanDerWaalsContact O-N 3.14Å; A13-V15 PolarHBondContact O-N 3.37Å; A13-V15 VanDerWaalsContact O-N 3.07Å
14	L	35.7	Very low	51.6	Low	156 Å²	156	122.5 Å²	122.5	82%	0.817	70%	0.695	S	S	*	*			trans	-64.1	104.9	158.9	-105.5	89.8	0	0	0	106.3	A12 R16	A12-L14 PolarHBondContact O-N 2.85Å; A12-L14 VanDerWaalsContact O-N 3.12Å; L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.39Å
15	V	36.2	Very low	54.3	Low	134 Å²	134	114.5 Å²	114.5	81%	0.812	67%	0.668	S	S	*	*			trans	-64.2	101.2	159.3	179.2	0	0	0	0	105.1	A13 A17	A13-V15 PolarHBondContact O-N 3.37Å; A13-V15 VanDerWaalsContact O-N 3.07Å; V15-A17 PolarHBondContact O-N 3.31Å
16	R	41.3	Very low	57	Low	219 Å²	219	110.2 Å²	110.2	83%	0.826	63%	0.631	S	S	*	*			trans	-65	114.7	159.7	-86.7	179.9	168.6	173.7	-4.7	104.9	L14 D18	L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.39Å; R16-D18 PolarHBondContact O-N 3.03Å
17	A	48.1	Very low	59.9	Low	52 Å²	52	102.8 Å²	102.8	43%	0.43	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-55	124.5	160	0	0	0	0	0	106.6	V15 A19 E36	V15-A17 PolarHBondContact O-N 3.31Å; A17-A19 PolarHBondContact O-N 3.3Å; A17-E36 VanDerWaalsContact CB-OE1 3.32Å; A17-E36 WeakPolarHBondContact CB-OE1 3.32Å
18	D	54.8	Low	62.7	Low	153 Å²	153	96 Å²	96	82%	0.818	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-61.3	128.7	177.8	-76.5	-38.1	0	0	0	107.8	R16	R16-D18 PolarHBondContact O-N 3.03Å
19	A	61.7	Low	65.8	Low	84 Å²	84	90.6 Å²	90.6	69%	0.694	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-54	141.4	179	0	0	0	0	0	109.5	A17 E21	A17-A19 PolarHBondContact O-N 3.3Å; A19-E21 PolarHBondContact O-N 3.49Å
20	P	70.5	Confident	68.7	Low	30 Å²	30	88 Å²	88	20%	0.195	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-50.4	133.2	178.9	18	-30.4	0	0	0	110.4	E22 L27 L29	P20-E22 PolarHBondContact O-N 3.09Å; P20-L27 HydrophobicContact CG-CD1 4.37Å; P20-L27 HydrophobicContact CG-CD2 4.04Å; P20-L29 HydrophobicContact CB-CD2 4.25Å
21	E	84.5	Confident	71.5	Confident	134 Å²	134	88.7 Å²	88.7	63%	0.626	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-46.2	137.1	171.2	-72.8	-83.8	158.2	0	0	109.5	A19 V28	A19-E21 PolarHBondContact O-N 3.49Å; E21-V28 HydrophobicContact CB-CB 4.21Å; E21-V28 HydrophobicContact CB-CG2 4.41Å; E21-V28 WeakPolarHBondContact O-CB 3.21Å; E21-V28 PolarHBondContact O-N 3.25Å
22	E	92.6	Very high	74.3	Confident	74 Å²	74	88.2 Å²	88.2	35%	0.346	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.6	-177.9	-175.5	-179.8	130.6	0	0	109.2	P20 H25 V26 L27 K71 R78	P20-E22 PolarHBondContact O-N 3.09Å; E22-H25 VanDerWaalsContact OE1-CA 3.26Å; E22-H25 WeakPolarHBondContact OE1-CA 3.42Å; E22-H25 IonicContact OE1-ND1 2.81Å; E22-H25 PolarHBondContact OE1-ND1 2.94Å; E22-V26 WeakPolarHBondContact CA-O 3.32Å; E22-L27 HydrophobicContact CB-CD2 4.44Å; E22-K71 IonicContact OE1-NZ 2.72Å; E22-K71 PolarHBondContact OE1-NZ 3.28Å; E22-K71 IonicContact OE2-NZ 2.69Å; E22-R78 IonicContact OE2-CZ 3.98Å; E22-R78 IonicContact OE2-NH1 2.85Å; E22-R78 IonicContact OE2-NH2 2.66Å; E22-R78 PolarHBondContact OE2-NH2 2.99Å
23	E	93.7	Very high	77.1	Confident	101 Å²	101	85.1 Å²	85.1	47%	0.472	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120	175.1	-70.2	-179.5	-162.2	0	0	109.2	H25 V26 V28 K81	E23-H25 PolarHBondContact O-N 2.79Å; E23-H25 VanDerWaalsContact O-N 3.09Å; E23-V26 PolarHBondContact N-O 3.13Å; E23-V26 WeakPolarHBondContact O-CA 3.3Å; E23-V26 VanDerWaalsContact O-CB 3.31Å; E23-V26 WeakPolarHBondContact O-CB 3.47Å; E23-V26 PolarHBondContact O-N 2.67Å; E23-V28 HydrophobicContact CB-CG2 4.35Å; E23-V28 HydrophobicContact CG-CG2 3.91Å; E23-K81 IonicContact OE2-NZ 2.67Å; E23-K81 PolarHBondContact OE2-NZ 2.96Å
24	D	95.2	Very high	80	Confident	128 Å²	128	81.5 Å²	81.5	68%	0.684	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	43	-178.9	-64.5	-38.1	0	0	0	114.2	V26 A64	D24-V26 VanDerWaalsContact C-N 3.27Å; D24-V26 PolarHBondContact O-N 3.02Å; D24-A64 HydrophobicContact CB-CB 3.78Å
25	H	96.4	Very high	82.8	Confident	76 Å²	76	77.7 Å²	77.7	35%	0.352	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	2.5	-178	-45	-47.6	0	0	0	117.1	E22 E23 A67 G68 K71	E22-H25 VanDerWaalsContact OE1-CA 3.26Å; E22-H25 WeakPolarHBondContact OE1-CA 3.42Å; E22-H25 IonicContact OE1-ND1 2.81Å; E22-H25 PolarHBondContact OE1-ND1 2.94Å; E23-H25 PolarHBondContact O-N 2.79Å; E23-H25 VanDerWaalsContact O-N 3.09Å; H25-A67 HydrophobicContact CB-CB 3.89Å; H25-G68 VanDerWaalsContact CD2-CA 3.48Å; H25-G68 WeakPolarHBondContact CD2-CA 3.25Å; H25-K71 HydrophobicContact CB-CD 4.25Å
26	V	98	Very high	85.7	Confident	7 Å²	7	76 Å²	76	4%	0.042	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127	177.9	-173.2	0	0	0	0	109.7	E22 E23 D24 Y63 A67 L79 K81	E22-V26 WeakPolarHBondContact CA-O 3.32Å; E23-V26 PolarHBondContact N-O 3.13Å; E23-V26 WeakPolarHBondContact O-CA 3.3Å; E23-V26 VanDerWaalsContact O-CB 3.31Å; E23-V26 WeakPolarHBondContact O-CB 3.47Å; E23-V26 PolarHBondContact O-N 2.67Å; D24-V26 VanDerWaalsContact C-N 3.27Å; D24-V26 PolarHBondContact O-N 3.02Å; V26-Y63 HydrophobicContact CG1-CD1 4.08Å; V26-Y63 HydrophobicContact CG1-CE1 3.83Å; V26-Y63 HydrophobicContact CG2-CD1 3.9Å; V26-Y63 HydrophobicContact CG2-CE1 4.33Å; V26-A67 HydrophobicContact CG2-CB 3.97Å; V26-L79 WeakPolarHBondContact CA-O 3.5Å; V26-K81 HydrophobicContact CG1-CB 4.01Å; V26-K81 HydrophobicContact CG1-CD 4.07Å; V26-K81 HydrophobicContact CG1-CG 3.85Å
27	L	97.6	Very high	88.3	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131	176.4	-61.5	-179.5	0	0	0	110.7	P20 E22 L29 L44 R78 L79 A80 K81	P20-L27 HydrophobicContact CG-CD1 4.37Å; P20-L27 HydrophobicContact CG-CD2 4.04Å; E22-L27 HydrophobicContact CB-CD2 4.44Å; L27-L29 HydrophobicContact CB-CD2 4.23Å; L27-L44 HydrophobicContact CD1-CD1 4.24Å; L27-R78 HydrophobicContact CD1-CB 4.47Å; L27-L79 PolarHBondContact N-O 2.95Å; L27-A80 HydrophobicContact CB-CB 3.95Å; L27-A80 CarbonylContact O-C 3.59Å; L27-A80 WeakPolarHBondContact O-CA 3.28Å; L27-K81 PolarHBondContact O-N 3.47Å
28	V	97.8	Very high	90.5	Very high	14 Å²	14	63.5 Å²	63.5	9%	0.085	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109	173.9	-176.5	0	0	0	0	108.7	E21 E23 N33	E21-V28 HydrophobicContact CB-CB 4.21Å; E21-V28 HydrophobicContact CB-CG2 4.41Å; E21-V28 WeakPolarHBondContact O-CB 3.21Å; E21-V28 PolarHBondContact O-N 3.25Å; E23-V28 HydrophobicContact CB-CG2 4.35Å; E23-V28 HydrophobicContact CG-CG2 3.91Å; V28-N33 PolarHBondContact O-ND2 2.85Å
29	L	97.5	Very high	92.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	144.6	-179.5	-56.2	-175.9	0	0	0	111.3	P20 L27 N33 F34 A37 L44 V46 A80 K81 V82	P20-L29 HydrophobicContact CB-CD2 4.25Å; L27-L29 HydrophobicContact CB-CD2 4.23Å; L29-N33 WeakPolarHBondContact CA-OD1 3.44Å; L29-F34 HydrophobicContact CB-CD2 3.93Å; L29-F34 HydrophobicContact CD1-CD2 3.69Å; L29-F34 HydrophobicContact CD1-CE2 3.86Å; L29-F34 HydrophobicContact CG-CD2 4.45Å; L29-A37 HydrophobicContact CD1-CB 4.12Å; L29-A37 HydrophobicContact CD2-CB 3.43Å; L29-A37 VanDerWaalsContact CD2-CB 3.43Å; L29-A37 HydrophobicContact CG-CB 4.44Å; L29-L44 HydrophobicContact CD1-CD2 4.13Å; L29-V46 HydrophobicContact CD1-CG2 4.27Å; L29-A80 HydrophobicContact CD1-CB 3.52Å; L29-A80 HydrophobicContact CG-CB 3.84Å; L29-K81 PolarHBondContact N-O 2.92Å; L29-V82 HydrophobicContact CB-CG2 3.83Å
30	R	96.8	Very high	94	Very high	90 Å²	90	59.9 Å²	59.9	34%	0.34	34%	0.337	S	S	.	.			trans	-135.7	162.8	178.9	-64.7	-171.4	-177.3	79.4	2.5	108.1	S32 N33 F34 E87	R30-S32 PolarHBondContact O-N 3.05Å; R30-N33 PolarHBondContact N-OD1 3.04Å; R30-N33 PolarHBondContact O-N 2.72Å; R30-N33 PolarHBondContact O-OD1 3.03Å; R30-F34 WeakPolarHBondContact O-CB 3.41Å; R30-F34 PolarHBondContact O-N 3.34Å; R30-E87 WeakPolarHBondContact CB-OE1 3.48Å; R30-E87 VanDerWaalsContact CG-OE1 3.24Å; R30-E87 WeakPolarHBondContact CG-OE1 3.43Å
31	K	94.7	Very high	95.2	Very high	111 Å²	111	60.6 Å²	60.6	48%	0.483	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.6	175.3	-174.8	166.7	176.6	165	0	112.5	E87 D89	K31-E87 WeakPolarHBondContact CB-OE2 3.45Å; K31-E87 PolarHBondContact N-OE2 3.05Å; K31-D89 HydrophobicContact CD-CB 4.2Å; K31-D89 IonicContact NZ-OD2 2.66Å; K31-D89 PolarHBondContact NZ-OD2 3.34Å
32	S	94.8	Very high	95.6	Very high	112 Å²	112	58 Å²	58	78%	0.783	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.2	180	63.8	0	0	0	0	115.8	R30	R30-S32 PolarHBondContact O-N 3.05Å
33	N	96	Very high	95.7	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.112	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-0.7	-176.4	71.9	-3.3	0	0	0	114	V28 L29 R30 E36 A37	V28-N33 PolarHBondContact O-ND2 2.85Å; L29-N33 WeakPolarHBondContact CA-OD1 3.44Å; R30-N33 PolarHBondContact N-OD1 3.04Å; R30-N33 PolarHBondContact O-N 2.72Å; R30-N33 PolarHBondContact O-OD1 3.03Å; N33-E36 PolarHBondContact O-N 3.32Å; N33-A37 PolarHBondContact O-N 3.15Å
34	F	96.4	Very high	95.9	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-49.9	-176.1	-167.9	-97.4	0	0	0	112.9	L29 R30 E36 A37 L38 V46 F48 V82 L90 Y94 F105	L29-F34 HydrophobicContact CB-CD2 3.93Å; L29-F34 HydrophobicContact CD1-CD2 3.69Å; L29-F34 HydrophobicContact CD1-CE2 3.86Å; L29-F34 HydrophobicContact CG-CD2 4.45Å; R30-F34 WeakPolarHBondContact O-CB 3.41Å; R30-F34 PolarHBondContact O-N 3.34Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 2.72Å; F34-A37 PolarHBondContact O-N 3.09Å; F34-L38 HydrophobicContact CD1-CD1 3.7Å; F34-L38 HydrophobicContact CD1-CG 4.29Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.03Å; F34-L38 HydrophobicContact CZ-CD1 4.21Å; F34-L38 PolarHBondContact O-N 2.57Å; F34-V46 HydrophobicContact CE2-CG1 4.01Å; F34-V46 HydrophobicContact CE2-CG2 4.16Å; F34-V46 HydrophobicContact CZ-CG2 4.37Å; F34-F48 HydrophobicContact CE2-CZ 4.45Å; F34-F48 HydrophobicContact CZ-CZ 4.36Å; F34-V82 HydrophobicContact CD2-CG2 4.12Å; F34-V82 HydrophobicContact CE2-CG2 4Å; F34-L90 HydrophobicContact CB-CD1 4.34Å; F34-L90 HydrophobicContact CB-CD2 4.08Å; F34-L90 HydrophobicContact CD1-CD1 3.87Å; F34-L90 HydrophobicContact CD2-CD1 4.26Å; F34-L90 HydrophobicContact CD2-CD2 3.67Å; F34-L90 HydrophobicContact CD2-CG 4.46Å; F34-L90 HydrophobicContact CE1-CD1 4.21Å; F34-L90 HydrophobicContact CE2-CD2 4.27Å; F34-L90 HydrophobicContact CG-CD1 3.9Å; F34-L90 HydrophobicContact CG-CD2 3.91Å; F34-Y94 HydrophobicContact CD1-CE2 4.3Å; F34-Y94 AromaticContact CE1-CE2 3.48Å; F34-Y94 HydrophobicContact CE1-CE2 3.48Å; F34-Y94 VanDerWaalsContact CE1-CE2 3.48Å; F34-Y94 AromaticContact CE1-CZ 3.72Å; F34-Y94 WeakPolarHBondContact CE1-OH 3.29Å; F34-Y94 AromaticContact CZ-CE2 3.83Å; F34-Y94 HydrophobicContact CZ-CE2 3.83Å; F34-F105 HydrophobicContact CE1-CZ 4.38Å; F34-F105 HydrophobicContact CZ-CE1 4.41Å; F34-F105 HydrophobicContact CZ-CE2 4.12Å; F34-F105 AromaticContact CZ-CZ 3.88Å; F34-F105 HydrophobicContact CZ-CZ 3.88Å
35	A	94.8	Very high	96.1	Very high	76 Å²	76	44.3 Å²	44.3	63%	0.628	26%	0.255	S	S	*	.	H	α-helix	trans	-64.8	-36.3	-179.6	0	0	0	0	0	112.5	L38 A39	A35-L38 PolarHBondContact O-N 2.98Å; A35-A39 PolarHBondContact O-N 3.11Å
36	E	95.4	Very high	96.2	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-44.1	175.1	-176.6	177.8	-172.1	0	0	111	A17 N33 F34 L38 A39 A40	A17-E36 VanDerWaalsContact CB-OE1 3.32Å; A17-E36 WeakPolarHBondContact CB-OE1 3.32Å; N33-E36 PolarHBondContact O-N 3.32Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 2.72Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.19Å; E36-A39 PolarHBondContact O-N 3.18Å; E36-A40 WeakPolarHBondContact O-CB 3.27Å; E36-A40 PolarHBondContact O-N 3.24Å
37	A	96	Very high	96.2	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-41.1	176.8	0	0	0	0	0	112.1	L29 N33 F34 A40 H41 L44	L29-A37 HydrophobicContact CD1-CB 4.12Å; L29-A37 HydrophobicContact CD2-CB 3.43Å; L29-A37 VanDerWaalsContact CD2-CB 3.43Å; L29-A37 HydrophobicContact CG-CB 4.44Å; N33-A37 PolarHBondContact O-N 3.15Å; F34-A37 PolarHBondContact O-N 3.09Å; A37-A40 PolarHBondContact O-N 2.92Å; A37-H41 WeakPolarHBondContact O-CB 3.28Å; A37-H41 PolarHBondContact O-N 3.17Å; A37-H41 VanDerWaalsContact O-N 3.08Å; A37-H41 PolarHBondContact O-ND1 3.08Å; A37-L44 HydrophobicContact CB-CD2 4.22Å
38	L	95.6	Very high	96.3	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-40.1	175.3	-78.2	177.8	0	0	0	113.1	F34 A35 E36 L44 F105 G108 T110	F34-L38 HydrophobicContact CD1-CD1 3.7Å; F34-L38 HydrophobicContact CD1-CG 4.29Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.03Å; F34-L38 HydrophobicContact CZ-CD1 4.21Å; F34-L38 PolarHBondContact O-N 2.57Å; A35-L38 PolarHBondContact O-N 2.98Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.19Å; L38-L44 HydrophobicContact CD2-CD2 4Å; L38-L44 HydrophobicContact CG-CD2 4.49Å; L38-F105 HydrophobicContact CD1-CD1 4.25Å; L38-F105 HydrophobicContact CD1-CE1 4.47Å; L38-F105 HydrophobicContact CD2-CB 3.35Å; L38-F105 HydrophobicContact CD2-CD1 3.6Å; L38-F105 HydrophobicContact CD2-CD2 4.1Å; L38-F105 HydrophobicContact CD2-CE1 4.39Å; L38-F105 HydrophobicContact CD2-CG 3.41Å; L38-F105 VanDerWaalsContact CD2-CG 3.41Å; L38-G108 WeakPolarHBondContact O-CA 3.3Å; L38-T110 HydrophobicContact CD1-CG2 3.52Å
39	A	94.4	Very high	96.2	Very high	89 Å²	89	41.9 Å²	41.9	74%	0.736	24%	0.241	S	C	*	.	H	α-helix	trans	-70.5	-33.5	177.1	0	0	0	0	0	112.5	A35 E36	A35-A39 PolarHBondContact O-N 3.11Å; E36-A39 PolarHBondContact O-N 3.18Å
40	A	95	Very high	96.1	Very high	72 Å²	72	41.8 Å²	41.8	60%	0.595	24%	0.24	S	C	*	.	H	α-helix	trans	-79.2	-26.4	-178	0	0	0	0	0	113.8	E36 A37	E36-A40 WeakPolarHBondContact O-CB 3.27Å; E36-A40 PolarHBondContact O-N 3.24Å; A37-A40 PolarHBondContact O-N 2.92Å
41	H	95	Very high	95.9	Very high	45 Å²	45	40.4 Å²	40.4	21%	0.208	24%	0.243	C	C	.	.			trans	-120.1	113.3	-173	-55.3	95.9	0	0	0	111.4	A37 Y43 L44	A37-H41 WeakPolarHBondContact O-CB 3.28Å; A37-H41 PolarHBondContact O-N 3.17Å; A37-H41 VanDerWaalsContact O-N 3.08Å; A37-H41 PolarHBondContact O-ND1 3.08Å; H41-Y43 VanDerWaalsContact C-N 3.25Å; H41-Y43 PolarHBondContact O-N 3.28Å; H41-L44 HydrophobicContact CB-CB 4.27Å; H41-L44 HydrophobicContact CB-CD1 4.18Å
42	K	93.1	Very high	95.7	Very high	79 Å²	79	43.3 Å²	43.3	34%	0.343	25%	0.251	S	S	.	.	S	Bend	trans	-60.1	-35.3	178.9	-170.2	-175.7	177.5	-168.4	0	112.6	R106 N107	K42-R106 CarbonylContact O-C 3.46Å; K42-R106 WeakPolarHBondContact O-CA 3.31Å; K42-N107 WeakPolarHBondContact CE-OD1 3.33Å; K42-N107 WeakPolarHBondContact CG-OD1 3.49Å; K42-N107 PolarHBondContact O-N 3.35Å
43	Y	96.3	Very high	95.5	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.063	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	104.2	-178.9	-53.7	-49.3	0	0	0	109.5	H41 E76 I77 R78 F104 R106 T133	H41-Y43 VanDerWaalsContact C-N 3.25Å; H41-Y43 PolarHBondContact O-N 3.28Å; Y43-E76 HydrophobicContact CD2-CB 4.36Å; Y43-I77 HydrophobicContact CD2-CG1 4.15Å; Y43-R78 PolarHBondContact O-N 2.94Å; Y43-F104 AromaticContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CG-CZ 4.34Å; Y43-R106 HydrophobicContact CD1-CG 4.15Å; Y43-R106 HydrophobicContact CE1-CG 4.04Å; Y43-T133 HydrophobicContact CD1-CG2 3.67Å; Y43-T133 HydrophobicContact CD2-CG2 3.69Å; Y43-T133 HydrophobicContact CE1-CG2 4.09Å; Y43-T133 HydrophobicContact CE2-CG2 4.09Å; Y43-T133 HydrophobicContact CG-CG2 3.45Å; Y43-T133 VanDerWaalsContact CG-CG2 3.45Å
44	L	97.8	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.6	-175.4	-167	66	0	0	0	110.2	L27 L29 A37 L38 H41 V46 R78 A80 F105	L27-L44 HydrophobicContact CD1-CD1 4.24Å; L29-L44 HydrophobicContact CD1-CD2 4.13Å; A37-L44 HydrophobicContact CB-CD2 4.22Å; L38-L44 HydrophobicContact CD2-CD2 4Å; L38-L44 HydrophobicContact CG-CD2 4.49Å; H41-L44 HydrophobicContact CB-CB 4.27Å; H41-L44 HydrophobicContact CB-CD1 4.18Å; L44-V46 HydrophobicContact CD2-CG2 4.17Å; L44-V46 HydrophobicContact CG-CG2 4.08Å; L44-R78 WeakPolarHBondContact CA-O 3.43Å; L44-R78 HydrophobicContact CD1-CB 3.77Å; L44-A80 HydrophobicContact CD1-CB 4.03Å; L44-A80 HydrophobicContact CG-CB 4.34Å; L44-F105 PolarHBondContact N-O 3.08Å; L44-F105 PolarHBondContact O-N 3.37Å
45	L	98.5	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128	169.3	-167.9	68.3	0	0	0	108.2	Y63 R78 L79 A80 I102 F104 I125 W128 L129	L45-Y63 HydrophobicContact CD2-CE2 3.85Å; L45-Y63 HydrophobicContact CG-CE2 4.4Å; L45-Y63 PolarHBondContact O-OH 3.22Å; L45-R78 PolarHBondContact N-O 3.38Å; L45-L79 HydrophobicContact CB-CD1 4.24Å; L45-L79 HydrophobicContact CB-CG 4.2Å; L45-L79 HydrophobicContact CD2-CG 4.33Å; L45-L79 CarbonylContact O-C 3.48Å; L45-L79 WeakPolarHBondContact O-CA 3.36Å; L45-A80 PolarHBondContact O-N 3.31Å; L45-I102 HydrophobicContact CD1-CG2 3.66Å; L45-I102 HydrophobicContact CD2-CG2 4.03Å; L45-I102 HydrophobicContact CG-CG2 3.73Å; L45-F104 HydrophobicContact CB-CD2 4.48Å; L45-F104 HydrophobicContact CD1-CB 3.73Å; L45-F104 HydrophobicContact CD1-CD2 4.27Å; L45-F104 HydrophobicContact CD1-CG 4.49Å; L45-I125 HydrophobicContact CD2-CG2 3.85Å; L45-W128 HydrophobicContact CD1-CZ3 4.49Å; L45-L129 HydrophobicContact CB-CD2 4.09Å; L45-L129 HydrophobicContact CD1-CD2 4.26Å; L45-L129 HydrophobicContact CD2-CD1 3.97Å; L45-L129 HydrophobicContact CD2-CD2 4.22Å; L45-L129 HydrophobicContact CD2-CG 4.36Å; L45-L129 HydrophobicContact CG-CD2 4.43Å
46	V	98.5	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.2	-178.2	-176.5	0	0	0	0	109.4	L29 F34 L44 F48 A80 V82 I102 K103 F105	L29-V46 HydrophobicContact CD1-CG2 4.27Å; F34-V46 HydrophobicContact CE2-CG1 4.01Å; F34-V46 HydrophobicContact CE2-CG2 4.16Å; F34-V46 HydrophobicContact CZ-CG2 4.37Å; L44-V46 HydrophobicContact CD2-CG2 4.17Å; L44-V46 HydrophobicContact CG-CG2 4.08Å; V46-F48 HydrophobicContact CB-CE2 4.26Å; V46-F48 HydrophobicContact CG1-CD2 4.22Å; V46-F48 HydrophobicContact CG1-CE2 3.81Å; V46-F48 HydrophobicContact CG1-CZ 4.03Å; V46-A80 CarbonylContact C-O 3.55Å; V46-A80 WeakPolarHBondContact CA-O 3.08Å; V46-A80 HydrophobicContact CG2-CB 4.2Å; V46-V82 HydrophobicContact CG1-CG2 3.8Å; V46-I102 CarbonylContact O-C 3.58Å; V46-I102 WeakPolarHBondContact O-CA 3.3Å; V46-K103 PolarHBondContact N-O 3.1Å; V46-K103 PolarHBondContact O-N 3.35Å; V46-F105 HydrophobicContact CB-CD2 4.3Å; V46-F105 HydrophobicContact CB-CE2 3.94Å; V46-F105 HydrophobicContact CG2-CD2 3.68Å; V46-F105 HydrophobicContact CG2-CE2 3.69Å
47	E	98.5	Very high	95.1	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.1	168.1	-178.2	-170.1	-171.4	0	0	110.4	Y63 A80 K81 V82 P100 I102	E47-Y63 HydrophobicContact CB-CE1 4.22Å; E47-Y63 HydrophobicContact CB-CE2 4.25Å; E47-A80 PolarHBondContact N-O 2.86Å; E47-K81 HydrophobicContact CB-CB 4.45Å; E47-K81 CarbonylContact O-C 3.55Å; E47-K81 VanDerWaalsContact O-CA 3.23Å; E47-K81 WeakPolarHBondContact O-CA 3.23Å; E47-V82 PolarHBondContact O-N 3.36Å; E47-P100 HydrophobicContact CG-CB 4.15Å; E47-I102 HydrophobicContact CB-CG1 4.37Å; E47-I102 HydrophobicContact CG-CG1 4.2Å
48	F	98.4	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.3	165.7	-62	-96.2	0	0	0	108.5	F34 V46 V82 L90 A91 Y94 V96 P100 T101 K103	F34-F48 HydrophobicContact CE2-CZ 4.45Å; F34-F48 HydrophobicContact CZ-CZ 4.36Å; V46-F48 HydrophobicContact CB-CE2 4.26Å; V46-F48 HydrophobicContact CG1-CD2 4.22Å; V46-F48 HydrophobicContact CG1-CE2 3.81Å; V46-F48 HydrophobicContact CG1-CZ 4.03Å; F48-V82 WeakPolarHBondContact CA-O 3.29Å; F48-V82 HydrophobicContact CD1-CB 3.77Å; F48-V82 HydrophobicContact CD1-CG1 3.86Å; F48-V82 HydrophobicContact CD1-CG2 4.32Å; F48-V82 HydrophobicContact CE1-CB 4.03Å; F48-V82 HydrophobicContact CE1-CG1 4.07Å; F48-V82 HydrophobicContact CE1-CG2 4.1Å; F48-V82 HydrophobicContact CG-CB 4.46Å; F48-L90 HydrophobicContact CE1-CG 4.36Å; F48-A91 HydrophobicContact CD1-CB 4.32Å; F48-Y94 HydrophobicContact CE1-CD2 4.25Å; F48-Y94 AromaticContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CG 4.25Å; F48-V96 HydrophobicContact CB-CG1 3.99Å; F48-V96 HydrophobicContact CB-CG2 3.93Å; F48-V96 HydrophobicContact CD1-CG2 3.93Å; F48-V96 HydrophobicContact CD2-CG2 3.96Å; F48-V96 HydrophobicContact CE1-CG2 4.42Å; F48-V96 HydrophobicContact CE2-CG2 4.46Å; F48-V96 HydrophobicContact CG-CG2 3.67Å; F48-P100 WeakPolarHBondContact O-CA 3.37Å; F48-T101 HydrophobicContact CD2-CG2 4.49Å; F48-T101 PolarHBondContact N-O 3.11Å; F48-T101 PolarHBondContact O-N 3.42Å; F48-T101 VanDerWaalsContact O-N 3.07Å; F48-K103 HydrophobicContact CE2-CB 4.37Å; F48-K103 HydrophobicContact CE2-CD 4.37Å
49	Y	97.6	Very high	95.1	Very high	44 Å²	44	46.6 Å²	46.6	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	167.6	-171.8	79.3	-81.3	0	0	0	112.4	P51 K81 V82 D83 A84	Y49-P51 HydrophobicContact CE2-CG 4.19Å; Y49-K81 HydrophobicContact CD1-CB 4Å; Y49-K81 HydrophobicContact CE1-CB 3.8Å; Y49-K81 HydrophobicContact CE1-CD 3.81Å; Y49-K81 HydrophobicContact CE1-CG 3.91Å; Y49-V82 WeakPolarHBondContact CD1-O 3.23Å; Y49-V82 PolarHBondContact N-O 2.98Å; Y49-D83 HydrophobicContact CE1-CB 4.08Å; Y49-A84 PolarHBondContact O-N 3.41Å
50	A	94.4	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.			trans	-126.7	136	168	0	0	0	0	0	110.1	W52 C53 T85 Y99	A50-W52 HydrophobicContact CB-CD2 4.12Å; A50-W52 HydrophobicContact CB-CH2 4.44Å; A50-W52 HydrophobicContact CB-CZ2 3.8Å; A50-W52 PolarHBondContact O-N 2.92Å; A50-W52 VanDerWaalsContact O-N 3.08Å; A50-C53 HydrophobicContact CB-CB 4.41Å; A50-C53 WeakPolarHBondContact O-CB 3.42Å; A50-C53 PolarHBondContact O-N 3.35Å; A50-T85 HydrophobicContact CB-CG2 3.76Å; A50-Y99 HydrophobicContact CB-CD1 4.47Å; A50-Y99 HydrophobicContact CB-CD2 3.72Å; A50-Y99 HydrophobicContact CB-CE2 3.92Å; A50-Y99 HydrophobicContact CB-CG 4.02Å
51	P	93	Very high	95.4	Very high	61 Å²	61	45.1 Å²	45.1	40%	0.396	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.2	-175	-28.7	35.7	0	0	0	115.1	Y49 K57 D83	Y49-P51 HydrophobicContact CE2-CG 4.19Å; P51-K57 WeakPolarHBondContact O-CE 3.47Å; P51-D83 WeakPolarHBondContact CD-OD1 3.17Å; P51-D83 VanDerWaalsContact CD-OD2 3.31Å; P51-D83 WeakPolarHBondContact CD-OD2 3.09Å; P51-D83 WeakPolarHBondContact CG-OD2 3.46Å
52	W	90.1	Very high	95.5	Very high	172 Å²	172	45.4 Å²	45.4	65%	0.652	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.8	-179.7	48.3	-99.9	0	0	0	113.3	A50 G54 Y99	A50-W52 HydrophobicContact CB-CD2 4.12Å; A50-W52 HydrophobicContact CB-CH2 4.44Å; A50-W52 HydrophobicContact CB-CZ2 3.8Å; A50-W52 PolarHBondContact O-N 2.92Å; A50-W52 VanDerWaalsContact O-N 3.08Å; W52-G54 PolarHBondContact O-N 2.99Å; W52-Y99 HydrophobicContact CH2-CD2 4.04Å; W52-Y99 HydrophobicContact CH2-CE2 4.1Å; W52-Y99 HydrophobicContact CZ2-CD2 4.3Å; W52-Y99 HydrophobicContact CZ2-CE2 4.05Å
53	C	90.8	Very high	95.8	Very high	14 Å²	14	41.8 Å²	41.8	10%	0.095	23%	0.232	C	C	.	.			trans	-71.1	123.3	-177.9	175.7	0	0	0	0	111.7	A50 H55 C56 K57 Y99	A50-C53 HydrophobicContact CB-CB 4.41Å; A50-C53 WeakPolarHBondContact O-CB 3.42Å; A50-C53 PolarHBondContact O-N 3.35Å; C53-H55 VanDerWaalsContact C-N 3.34Å; C53-H55 PolarHBondContact O-N 2.92Å; C53-C56 HydrophobicContact CB-CB 4.02Å; C53-C56 PolarHBondContact O-N 3.36Å; C53-C56 VanDerWaalsContact SG-SG 3.62Å; C53-K57 WeakPolarHBondContact O-CG 3.5Å; C53-K57 PolarHBondContact O-N 3.14Å; C53-K57 VanDerWaalsContact O-N 3.1Å; C53-Y99 PolarHBondContact SG-O 2.87Å
54	G	91.6	Very high	95.9	Very high	52 Å²	52	41.9 Å²	41.9	54%	0.536	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-39.1	179.8	0	0	0	0	0	113.3	W52 K57 A58	W52-G54 PolarHBondContact O-N 2.99Å; G54-K57 PolarHBondContact O-N 3.05Å; G54-A58 PolarHBondContact O-N 3.32Å; G54-A58 VanDerWaalsContact O-N 3.08Å
55	H	93.1	Very high	95.9	Very high	115 Å²	115	46.2 Å²	46.2	53%	0.532	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-39.4	177	-67.1	-56.2	0	0	0	112.6	C53 A58 L59 R120	C53-H55 VanDerWaalsContact C-N 3.34Å; C53-H55 PolarHBondContact O-N 2.92Å; H55-A58 PolarHBondContact O-N 2.91Å; H55-L59 WeakPolarHBondContact O-CB 3.04Å; H55-L59 PolarHBondContact O-N 2.9Å; H55-R120 PolarHBondContact ND1-NH1 3.47Å
56	C	94.3	Very high	95.9	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-44.8	175	-62	0	0	0	0	111.4	C53 A58 L59 A60	C53-C56 HydrophobicContact CB-CB 4.02Å; C53-C56 PolarHBondContact O-N 3.36Å; C53-C56 VanDerWaalsContact SG-SG 3.62Å; C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 2.73Å; C56-L59 PolarHBondContact O-N 2.94Å; C56-L59 VanDerWaalsContact O-N 3.15Å; C56-A60 PolarHBondContact O-N 2.86Å
57	K	94.4	Very high	95.8	Very high	133 Å²	133	46.4 Å²	46.4	58%	0.578	26%	0.257	S	S	*	.	H	α-helix	trans	-59	-37.9	176.1	-69.6	178.8	-174.3	-179	0	112.5	P51 C53 G54 P61	P51-K57 WeakPolarHBondContact O-CE 3.47Å; C53-K57 WeakPolarHBondContact O-CG 3.5Å; C53-K57 PolarHBondContact O-N 3.14Å; C53-K57 VanDerWaalsContact O-N 3.1Å; G54-K57 PolarHBondContact O-N 3.05Å; K57-P61 WeakPolarHBondContact O-CD 3.43Å
58	A	95.8	Very high	95.8	Very high	69 Å²	69	47 Å²	47	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-72.5	-35.4	177.2	0	0	0	0	0	112.7	G54 H55 C56 P61	G54-A58 PolarHBondContact O-N 3.32Å; G54-A58 VanDerWaalsContact O-N 3.08Å; H55-A58 PolarHBondContact O-N 2.91Å; C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 2.73Å; A58-P61 WeakPolarHBondContact O-CD 3.25Å
59	L	97	Very high	95.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-75.8	-36.1	-179.7	179.5	62.6	0	0	0	113	H55 C56 E62 Y63 P100 I102 R120 I125	H55-L59 WeakPolarHBondContact O-CB 3.04Å; H55-L59 PolarHBondContact O-N 2.9Å; C56-L59 PolarHBondContact O-N 2.94Å; C56-L59 VanDerWaalsContact O-N 3.15Å; L59-E62 PolarHBondContact O-N 2.82Å; L59-Y63 PolarHBondContact O-N 3.46Å; L59-P100 HydrophobicContact CD2-CB 4.17Å; L59-P100 HydrophobicContact CD2-CG 3.89Å; L59-I102 HydrophobicContact CD2-CD1 3.59Å; L59-R120 HydrophobicContact CD1-CB 4.09Å; L59-R120 HydrophobicContact CD1-CG 4.42Å; L59-I125 HydrophobicContact CD1-CD1 4.27Å
60	A	96.4	Very high	95.7	Very high	50 Å²	50	47.8 Å²	47.8	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-44	-50.2	-176.1	0	0	0	0	0	115.2	C56 E62 Y63 A64	C56-A60 PolarHBondContact O-N 2.86Å; A60-E62 PolarHBondContact O-N 3.06Å; A60-Y63 PolarHBondContact O-N 2.87Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 2.88Å
61	P	97.9	Very high	95.7	Very high	80 Å²	80	52.3 Å²	52.3	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-36.7	178.6	25.1	-34.9	0	0	0	113.6	K57 A58 K65	K57-P61 WeakPolarHBondContact O-CD 3.43Å; A58-P61 WeakPolarHBondContact O-CD 3.25Å; P61-K65 WeakPolarHBondContact O-CB 3.42Å; P61-K65 PolarHBondContact O-N 2.92Å
62	E	98.3	Very high	95.9	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-73.2	-35.4	177.2	-70.5	-59.7	129	0	0	111.5	L59 A60 K65 A66 R120 A122	L59-E62 PolarHBondContact O-N 2.82Å; A60-E62 PolarHBondContact O-N 3.06Å; E62-K65 PolarHBondContact O-N 3.32Å; E62-K65 IonicContact OE1-NZ 2.69Å; E62-K65 PolarHBondContact OE1-NZ 2.84Å; E62-K65 VanDerWaalsContact OE1-NZ 3.09Å; E62-K65 IonicContact OE2-NZ 3.7Å; E62-K65 PolarHBondContact OE2-NZ 2.68Å; E62-A66 WeakPolarHBondContact O-CB 3.17Å; E62-A66 PolarHBondContact O-N 2.68Å; E62-R120 WeakPolarHBondContact CB-O 3.41Å; E62-A122 HydrophobicContact CB-CB 4.45Å; E62-A122 WeakPolarHBondContact O-CB 3.39Å; E62-A122 WeakPolarHBondContact OE2-CB 3.36Å; E62-A122 PolarHBondContact OE2-N 3.06Å
63	Y	98.3	Very high	96.1	Very high	3 Å²	3	51 Å²	51	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-46	175.2	-158.5	-101.5	0	0	0	111.9	V26 L45 E47 L59 A60 K65 A66 A67 L79 A80 I125	V26-Y63 HydrophobicContact CG1-CD1 4.08Å; V26-Y63 HydrophobicContact CG1-CE1 3.83Å; V26-Y63 HydrophobicContact CG2-CD1 3.9Å; V26-Y63 HydrophobicContact CG2-CE1 4.33Å; L45-Y63 HydrophobicContact CD2-CE2 3.85Å; L45-Y63 HydrophobicContact CG-CE2 4.4Å; L45-Y63 PolarHBondContact O-OH 3.22Å; E47-Y63 HydrophobicContact CB-CE1 4.22Å; E47-Y63 HydrophobicContact CB-CE2 4.25Å; L59-Y63 PolarHBondContact O-N 3.46Å; A60-Y63 PolarHBondContact O-N 2.87Å; Y63-K65 PolarHBondContact O-N 3.42Å; Y63-A66 WeakPolarHBondContact O-CB 3.47Å; Y63-A66 PolarHBondContact O-N 2.88Å; Y63-A67 PolarHBondContact O-N 2.86Å; Y63-L79 HydrophobicContact CD1-CB 4.36Å; Y63-L79 HydrophobicContact CD1-CD2 3.95Å; Y63-L79 HydrophobicContact CD2-CD2 3.98Å; Y63-L79 HydrophobicContact CE1-CB 3.62Å; Y63-L79 HydrophobicContact CE1-CD2 3.77Å; Y63-L79 HydrophobicContact CE1-CG 3.85Å; Y63-L79 HydrophobicContact CE2-CD2 3.79Å; Y63-L79 HydrophobicContact CE2-CG 4.14Å; Y63-L79 HydrophobicContact CG-CD2 4.05Å; Y63-L79 WeakPolarHBondContact O-CD2 3.46Å; Y63-A80 PolarHBondContact OH-O 3.34Å; Y63-A80 VanDerWaalsContact OH-O 3.14Å; Y63-I125 HydrophobicContact CD2-CD1 4.1Å
64	A	98.2	Very high	96.2	Very high	19 Å²	19	53.5 Å²	53.5	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-42.1	173.7	0	0	0	0	0	112.3	D24 A60 A66 A67 G68	D24-A64 HydrophobicContact CB-CB 3.78Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 2.88Å; A64-A66 PolarHBondContact O-N 2.9Å; A64-A67 WeakPolarHBondContact O-CB 3.38Å; A64-A67 PolarHBondContact O-N 3.36Å; A64-G68 PolarHBondContact O-N 2.96Å
65	K	98.3	Very high	96.2	Very high	90 Å²	90	52.9 Å²	52.9	39%	0.391	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-40.9	175.2	177.5	-178.4	163.9	-155.4	0	112	P61 E62 Y63 G68 K69 A122	P61-K65 WeakPolarHBondContact O-CB 3.42Å; P61-K65 PolarHBondContact O-N 2.92Å; E62-K65 PolarHBondContact O-N 3.32Å; E62-K65 IonicContact OE1-NZ 2.69Å; E62-K65 PolarHBondContact OE1-NZ 2.84Å; E62-K65 VanDerWaalsContact OE1-NZ 3.09Å; E62-K65 IonicContact OE2-NZ 3.7Å; E62-K65 PolarHBondContact OE2-NZ 2.68Å; Y63-K65 PolarHBondContact O-N 3.42Å; K65-G68 PolarHBondContact O-N 3.47Å; K65-K69 WeakPolarHBondContact O-CG 3.37Å; K65-K69 PolarHBondContact O-N 3.37Å; K65-A122 HydrophobicContact CB-CB 4.02Å; K65-A122 HydrophobicContact CD-CB 3.77Å; K65-A122 HydrophobicContact CG-CB 3.75Å
66	A	98.2	Very high	96.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-46.2	173.4	0	0	0	0	0	111.4	E62 Y63 A64 G68 K69 L70 L79 A122 I125 V126	E62-A66 WeakPolarHBondContact O-CB 3.17Å; E62-A66 PolarHBondContact O-N 2.68Å; Y63-A66 WeakPolarHBondContact O-CB 3.47Å; Y63-A66 PolarHBondContact O-N 2.88Å; A64-A66 PolarHBondContact O-N 2.9Å; A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 2.98Å; A66-K69 PolarHBondContact O-N 2.97Å; A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 3.27Å; A66-L79 HydrophobicContact CB-CD2 3.94Å; A66-A122 HydrophobicContact CB-CB 4.08Å; A66-I125 HydrophobicContact CB-CB 4.13Å; A66-I125 HydrophobicContact CB-CD1 4.42Å; A66-I125 HydrophobicContact CB-CG2 3.94Å; A66-V126 HydrophobicContact CB-CG2 4.03Å
67	A	98.2	Very high	96.4	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-43.7	176.8	0	0	0	0	0	111.9	H25 V26 Y63 A64 L70 K71 L79	H25-A67 HydrophobicContact CB-CB 3.89Å; V26-A67 HydrophobicContact CG2-CB 3.97Å; Y63-A67 PolarHBondContact O-N 2.86Å; A64-A67 WeakPolarHBondContact O-CB 3.38Å; A64-A67 PolarHBondContact O-N 3.36Å; A67-L70 PolarHBondContact O-N 2.88Å; A67-K71 WeakPolarHBondContact O-CB 3.42Å; A67-K71 PolarHBondContact O-N 2.85Å; A67-L79 HydrophobicContact CB-CB 3.91Å; A67-L79 HydrophobicContact CB-CD2 4Å; A67-L79 HydrophobicContact CB-CG 4.46Å
68	G	97.8	Very high	96.6	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-43.8	175.8	0	0	0	0	0	113.4	H25 A64 K65 A66 K71 A72	H25-G68 VanDerWaalsContact CD2-CA 3.48Å; H25-G68 WeakPolarHBondContact CD2-CA 3.25Å; A64-G68 PolarHBondContact O-N 2.96Å; K65-G68 PolarHBondContact O-N 3.47Å; A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 2.98Å; G68-K71 PolarHBondContact O-N 2.81Å; G68-A72 WeakPolarHBondContact O-CB 3.41Å; G68-A72 PolarHBondContact O-N 3.14Å
69	K	97.7	Very high	96.7	Very high	61 Å²	61	46.6 Å²	46.6	27%	0.265	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-49.7	174.6	-76.7	176.7	175.4	179.5	0	111.3	K65 A66 K71 A72 E73 D123 V126	K65-K69 WeakPolarHBondContact O-CG 3.37Å; K65-K69 PolarHBondContact O-N 3.37Å; A66-K69 PolarHBondContact O-N 2.97Å; K69-K71 VanDerWaalsContact C-N 3.34Å; K69-K71 PolarHBondContact O-N 3.43Å; K69-A72 PolarHBondContact O-N 3.39Å; K69-E73 WeakPolarHBondContact O-CG 3.37Å; K69-E73 PolarHBondContact O-N 3.3Å; K69-D123 IonicContact NZ-OD1 3.97Å; K69-D123 PolarHBondContact NZ-OD1 2.69Å; K69-D123 IonicContact NZ-OD2 3.9Å; K69-D123 PolarHBondContact NZ-OD2 2.8Å; K69-V126 HydrophobicContact CB-CG2 4.44Å
70	L	96.3	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-40.9	179.5	-72	168.3	0	0	0	112.2	A66 A67 E73 G74 S75 I77 L79 V126 L129	A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 3.27Å; A67-L70 PolarHBondContact O-N 2.88Å; L70-E73 PolarHBondContact O-N 2.91Å; L70-G74 PolarHBondContact O-N 3.08Å; L70-S75 VanDerWaalsContact O-CB 3.24Å; L70-S75 WeakPolarHBondContact O-CB 3.4Å; L70-S75 PolarHBondContact O-N 2.79Å; L70-I77 HydrophobicContact CD1-CB 4.19Å; L70-I77 HydrophobicContact CD1-CG2 3.9Å; L70-I77 HydrophobicContact CD2-CB 4.35Å; L70-I77 HydrophobicContact CD2-CD1 4.15Å; L70-L79 HydrophobicContact CD1-CD1 3.54Å; L70-V126 HydrophobicContact CD1-CG2 4.48Å; L70-V126 HydrophobicContact CD2-CG1 4.2Å; L70-V126 HydrophobicContact CD2-CG2 4.45Å; L70-V126 HydrophobicContact CG-CG2 4.14Å; L70-L129 HydrophobicContact CD1-CD1 3.91Å
71	K	94.4	Very high	96.9	Very high	96 Å²	96	45.7 Å²	45.7	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-43.7	175.5	-169.3	175.5	-169.9	170.9	0	111.8	E22 H25 A67 G68 K69 E73 G74	E22-K71 IonicContact OE1-NZ 2.72Å; E22-K71 PolarHBondContact OE1-NZ 3.28Å; E22-K71 IonicContact OE2-NZ 2.69Å; H25-K71 HydrophobicContact CB-CD 4.25Å; A67-K71 WeakPolarHBondContact O-CB 3.42Å; A67-K71 PolarHBondContact O-N 2.85Å; G68-K71 PolarHBondContact O-N 2.81Å; K69-K71 VanDerWaalsContact C-N 3.34Å; K69-K71 PolarHBondContact O-N 3.43Å; K71-E73 VanDerWaalsContact C-N 3.28Å; K71-E73 PolarHBondContact O-N 3.26Å; K71-G74 PolarHBondContact O-N 3.36Å; K71-G74 VanDerWaalsContact O-N 3.07Å
72	A	95.9	Very high	96.9	Very high	94 Å²	94	41.9 Å²	41.9	78%	0.777	24%	0.237	S	C	*	.	H	α-helix	trans	-65.2	-30.6	179.3	0	0	0	0	0	113	G68 K69 G74	G68-A72 WeakPolarHBondContact O-CB 3.41Å; G68-A72 PolarHBondContact O-N 3.14Å; K69-A72 PolarHBondContact O-N 3.39Å; A72-G74 VanDerWaalsContact C-N 3.27Å; A72-G74 PolarHBondContact O-N 2.82Å
73	E	94.3	Very high	96.9	Very high	112 Å²	112	40.2 Å²	40.2	52%	0.523	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7	174	-69.1	179.1	174.2	0	0	113.6	K69 L70 K71 S75 K130	K69-E73 WeakPolarHBondContact O-CG 3.37Å; K69-E73 PolarHBondContact O-N 3.3Å; L70-E73 PolarHBondContact O-N 2.91Å; K71-E73 VanDerWaalsContact C-N 3.28Å; K71-E73 PolarHBondContact O-N 3.26Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-K130 IonicContact OE1-NZ 3.31Å; E73-K130 PolarHBondContact OE1-NZ 3.43Å; E73-K130 WeakPolarHBondContact OE2-CE 3.45Å; E73-K130 IonicContact OE2-NZ 2.66Å; E73-K130 PolarHBondContact OE2-NZ 3.25Å
74	G	93.2	Very high	96.8	Very high	66 Å²	66	40.3 Å²	40.3	68%	0.68	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	28.7	-174.9	0	0	0	0	0	113.3	L70 K71 A72	L70-G74 PolarHBondContact O-N 3.08Å; K71-G74 PolarHBondContact O-N 3.36Å; K71-G74 VanDerWaalsContact O-N 3.07Å; A72-G74 VanDerWaalsContact C-N 3.27Å; A72-G74 PolarHBondContact O-N 2.82Å
75	S	93.1	Very high	96.5	Very high	39 Å²	39	42.9 Å²	42.9	27%	0.273	25%	0.245	S	C	.	.			trans	-67.8	147.8	179.8	-169.7	0	0	0	0	112.2	L70 E73 I77	L70-S75 VanDerWaalsContact O-CB 3.24Å; L70-S75 WeakPolarHBondContact O-CB 3.4Å; L70-S75 PolarHBondContact O-N 2.79Å; E73-S75 VanDerWaalsContact C-N 3.31Å; S75-I77 PolarHBondContact O-N 3.12Å; S75-I77 WeakPolarHBondContact OG-CB 3.4Å; S75-I77 VanDerWaalsContact OG-CG1 3.31Å; S75-I77 WeakPolarHBondContact OG-CG1 3.46Å; S75-I77 PolarHBondContact OG-N 3.26Å
76	E	94.1	Very high	96.4	Very high	141 Å²	141	45 Å²	45	66%	0.659	26%	0.256	S	S	*	.	S	Bend	trans	-72.2	-12.6	168.5	-65.4	-176.4	94.7	0	0	112.6	Y43	Y43-E76 HydrophobicContact CD2-CB 4.36Å
77	I	97	Very high	96.3	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.4	-177	-52.4	169	0	0	0	109.8	Y43 L70 S75 L79 L129 T133	Y43-I77 HydrophobicContact CD2-CG1 4.15Å; L70-I77 HydrophobicContact CD1-CB 4.19Å; L70-I77 HydrophobicContact CD1-CG2 3.9Å; L70-I77 HydrophobicContact CD2-CB 4.35Å; L70-I77 HydrophobicContact CD2-CD1 4.15Å; S75-I77 PolarHBondContact O-N 3.12Å; S75-I77 WeakPolarHBondContact OG-CB 3.4Å; S75-I77 VanDerWaalsContact OG-CG1 3.31Å; S75-I77 WeakPolarHBondContact OG-CG1 3.46Å; S75-I77 PolarHBondContact OG-N 3.26Å; I77-L79 HydrophobicContact CG2-CD1 4.41Å; I77-L129 HydrophobicContact CD1-CB 4.1Å; I77-L129 HydrophobicContact CG2-CB 4.36Å; I77-L129 HydrophobicContact CG2-CD1 3.92Å; I77-L129 HydrophobicContact CG2-CD2 4.11Å; I77-L129 HydrophobicContact CG2-CG 4.37Å; I77-T133 HydrophobicContact CD1-CG2 3.87Å; I77-T133 WeakPolarHBondContact CD1-OG1 3.49Å; I77-T133 HydrophobicContact CG1-CG2 3.98Å
78	R	97.8	Very high	96.1	Very high	40 Å²	40	50 Å²	50	15%	0.151	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.2	178	-63.6	-70.1	-70.3	171.4	-2.1	110.7	E22 L27 Y43 L44 L45	E22-R78 IonicContact OE2-CZ 3.98Å; E22-R78 IonicContact OE2-NH1 2.85Å; E22-R78 IonicContact OE2-NH2 2.66Å; E22-R78 PolarHBondContact OE2-NH2 2.99Å; L27-R78 HydrophobicContact CD1-CB 4.47Å; Y43-R78 PolarHBondContact O-N 2.94Å; L44-R78 WeakPolarHBondContact CA-O 3.43Å; L44-R78 HydrophobicContact CD1-CB 3.77Å; L45-R78 PolarHBondContact N-O 3.38Å
79	L	98.4	Very high	95.9	Very high	2 Å²	2	53 Å²	53	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.9	175.6	-89.3	63.4	0	0	0	108.5	V26 L27 L45 Y63 A66 A67 L70 I77 I125 L129	V26-L79 WeakPolarHBondContact CA-O 3.5Å; L27-L79 PolarHBondContact N-O 2.95Å; L45-L79 HydrophobicContact CB-CD1 4.24Å; L45-L79 HydrophobicContact CB-CG 4.2Å; L45-L79 HydrophobicContact CD2-CG 4.33Å; L45-L79 CarbonylContact O-C 3.48Å; L45-L79 WeakPolarHBondContact O-CA 3.36Å; Y63-L79 HydrophobicContact CD1-CB 4.36Å; Y63-L79 HydrophobicContact CD1-CD2 3.95Å; Y63-L79 HydrophobicContact CD2-CD2 3.98Å; Y63-L79 HydrophobicContact CE1-CB 3.62Å; Y63-L79 HydrophobicContact CE1-CD2 3.77Å; Y63-L79 HydrophobicContact CE1-CG 3.85Å; Y63-L79 HydrophobicContact CE2-CD2 3.79Å; Y63-L79 HydrophobicContact CE2-CG 4.14Å; Y63-L79 HydrophobicContact CG-CD2 4.05Å; Y63-L79 WeakPolarHBondContact O-CD2 3.46Å; A66-L79 HydrophobicContact CB-CD2 3.94Å; A67-L79 HydrophobicContact CB-CB 3.91Å; A67-L79 HydrophobicContact CB-CD2 4Å; A67-L79 HydrophobicContact CB-CG 4.46Å; L70-L79 HydrophobicContact CD1-CD1 3.54Å; I77-L79 HydrophobicContact CG2-CD1 4.41Å; L79-I125 HydrophobicContact CD2-CG2 4.32Å; L79-L129 HydrophobicContact CD1-CD1 3.83Å
80	A	98.5	Very high	95.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.6	-175.4	0	0	0	0	0	110.5	L27 L29 L44 L45 V46 E47 Y63	L27-A80 HydrophobicContact CB-CB 3.95Å; L27-A80 CarbonylContact O-C 3.59Å; L27-A80 WeakPolarHBondContact O-CA 3.28Å; L29-A80 HydrophobicContact CD1-CB 3.52Å; L29-A80 HydrophobicContact CG-CB 3.84Å; L44-A80 HydrophobicContact CD1-CB 4.03Å; L44-A80 HydrophobicContact CG-CB 4.34Å; L45-A80 PolarHBondContact O-N 3.31Å; V46-A80 CarbonylContact C-O 3.55Å; V46-A80 WeakPolarHBondContact CA-O 3.08Å; V46-A80 HydrophobicContact CG2-CB 4.2Å; E47-A80 PolarHBondContact N-O 2.86Å; Y63-A80 PolarHBondContact OH-O 3.34Å; Y63-A80 VanDerWaalsContact OH-O 3.14Å
81	K	98.4	Very high	95.8	Very high	35 Å²	35	50.5 Å²	50.5	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.3	176.4	65.7	-178	-178.4	169	0	111.6	E23 V26 L27 L29 E47 Y49	E23-K81 IonicContact OE2-NZ 2.67Å; E23-K81 PolarHBondContact OE2-NZ 2.96Å; V26-K81 HydrophobicContact CG1-CB 4.01Å; V26-K81 HydrophobicContact CG1-CD 4.07Å; V26-K81 HydrophobicContact CG1-CG 3.85Å; L27-K81 PolarHBondContact O-N 3.47Å; L29-K81 PolarHBondContact N-O 2.92Å; E47-K81 HydrophobicContact CB-CB 4.45Å; E47-K81 CarbonylContact O-C 3.55Å; E47-K81 VanDerWaalsContact O-CA 3.23Å; E47-K81 WeakPolarHBondContact O-CA 3.23Å; Y49-K81 HydrophobicContact CD1-CB 4Å; Y49-K81 HydrophobicContact CE1-CB 3.8Å; Y49-K81 HydrophobicContact CE1-CD 3.81Å; Y49-K81 HydrophobicContact CE1-CG 3.91Å
82	V	98.4	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.7	175.2	175	0	0	0	0	107.5	L29 F34 V46 E47 F48 Y49 A84 E87 L90	L29-V82 HydrophobicContact CB-CG2 3.83Å; F34-V82 HydrophobicContact CD2-CG2 4.12Å; F34-V82 HydrophobicContact CE2-CG2 4Å; V46-V82 HydrophobicContact CG1-CG2 3.8Å; E47-V82 PolarHBondContact O-N 3.36Å; F48-V82 WeakPolarHBondContact CA-O 3.29Å; F48-V82 HydrophobicContact CD1-CB 3.77Å; F48-V82 HydrophobicContact CD1-CG1 3.86Å; F48-V82 HydrophobicContact CD1-CG2 4.32Å; F48-V82 HydrophobicContact CE1-CB 4.03Å; F48-V82 HydrophobicContact CE1-CG1 4.07Å; F48-V82 HydrophobicContact CE1-CG2 4.1Å; F48-V82 HydrophobicContact CG-CB 4.46Å; Y49-V82 WeakPolarHBondContact CD1-O 3.23Å; Y49-V82 PolarHBondContact N-O 2.98Å; V82-A84 PolarHBondContact O-N 3.1Å; V82-E87 HydrophobicContact CG1-CB 3.8Å; V82-E87 HydrophobicContact CG1-CG 4.26Å; V82-L90 HydrophobicContact CG1-CD2 3.84Å; V82-L90 HydrophobicContact CG1-CG 4.45Å; V82-L90 HydrophobicContact CG2-CD2 3.98Å
83	D	97.8	Very high	95.8	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	104.5	170.6	-166.8	-38.2	0	0	0	108.9	Y49 P51 T85 E86 E87	Y49-D83 HydrophobicContact CE1-CB 4.08Å; P51-D83 WeakPolarHBondContact CD-OD1 3.17Å; P51-D83 VanDerWaalsContact CD-OD2 3.31Å; P51-D83 WeakPolarHBondContact CD-OD2 3.09Å; P51-D83 WeakPolarHBondContact CG-OD2 3.46Å; D83-T85 PolarHBondContact O-N 2.95Å; D83-T85 WeakPolarHBondContact OD1-CB 3.47Å; D83-T85 PolarHBondContact OD1-N 3.15Å; D83-T85 PolarHBondContact OD1-OG1 2.86Å; D83-E86 PolarHBondContact O-N 3.2Å; D83-E87 WeakPolarHBondContact O-CB 3.45Å; D83-E87 PolarHBondContact O-N 2.98Å
84	A	95.9	Very high	95.9	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.8	-176.5	0	0	0	0	0	113	Y49 V82 E86 S88 A91 Y99	Y49-A84 PolarHBondContact O-N 3.41Å; V82-A84 PolarHBondContact O-N 3.1Å; A84-E86 VanDerWaalsContact C-N 3.35Å; A84-S88 PolarHBondContact O-N 3.19Å; A84-A91 HydrophobicContact CB-CB 3.73Å; A84-Y99 HydrophobicContact CB-CD1 4.4Å; A84-Y99 HydrophobicContact CB-CE1 3.4Å; A84-Y99 VanDerWaalsContact CB-CE1 3.4Å
85	T	92.8	Very high	95.9	Very high	72 Å²	72	49.8 Å²	49.8	44%	0.442	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.7	176	72.4	0	0	0	0	112.6	A50 D83	A50-T85 HydrophobicContact CB-CG2 3.76Å; D83-T85 PolarHBondContact O-N 2.95Å; D83-T85 WeakPolarHBondContact OD1-CB 3.47Å; D83-T85 PolarHBondContact OD1-N 3.15Å; D83-T85 PolarHBondContact OD1-OG1 2.86Å
86	E	95.8	Very high	95.9	Very high	136 Å²	136	48.5 Å²	48.5	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-27.4	174.2	-62.8	-174.2	-156.2	0	0	112	D83 A84	D83-E86 PolarHBondContact O-N 3.2Å; A84-E86 VanDerWaalsContact C-N 3.35Å
87	E	96.3	Very high	95.7	Very high	33 Å²	33	51.5 Å²	51.5	15%	0.154	26%	0.262	C	S	.	.			trans	-118.9	49.7	-172.3	-55.9	-69	166.4	0	0	112	R30 K31 V82 D83 D89 L90 A91	R30-E87 WeakPolarHBondContact CB-OE1 3.48Å; R30-E87 VanDerWaalsContact CG-OE1 3.24Å; R30-E87 WeakPolarHBondContact CG-OE1 3.43Å; K31-E87 WeakPolarHBondContact CB-OE2 3.45Å; K31-E87 PolarHBondContact N-OE2 3.05Å; V82-E87 HydrophobicContact CG1-CB 3.8Å; V82-E87 HydrophobicContact CG1-CG 4.26Å; D83-E87 WeakPolarHBondContact O-CB 3.45Å; D83-E87 PolarHBondContact O-N 2.98Å; E87-D89 PolarHBondContact O-N 3.31Å; E87-L90 HydrophobicContact CB-CB 4.24Å; E87-L90 WeakPolarHBondContact O-CB 3.22Å; E87-L90 PolarHBondContact O-N 2.66Å; E87-L90 VanDerWaalsContact O-N 3.11Å; E87-A91 PolarHBondContact O-N 2.67Å; E87-A91 VanDerWaalsContact O-N 3.07Å
88	S	93.5	Very high	95.4	Very high	74 Å²	74	52.8 Å²	52.8	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-55.7	-46	-173.5	56.7	0	0	0	0	113.5	A84 L90 A91 Q92	A84-S88 PolarHBondContact O-N 3.19Å; S88-L90 PolarHBondContact O-N 2.76Å; S88-A91 PolarHBondContact O-N 3.29Å; S88-Q92 WeakPolarHBondContact O-CB 3.21Å; S88-Q92 PolarHBondContact O-N 3.38Å
89	D	95.4	Very high	95.2	Very high	84 Å²	84	54.2 Å²	54.2	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-37.7	179.6	-62.6	-7	0	0	0	111.7	K31 E87 Q93	K31-D89 HydrophobicContact CD-CB 4.2Å; K31-D89 IonicContact NZ-OD2 2.66Å; K31-D89 PolarHBondContact NZ-OD2 3.34Å; E87-D89 PolarHBondContact O-N 3.31Å; D89-Q93 VanDerWaalsContact O-CB 3.3Å; D89-Q93 WeakPolarHBondContact O-CB 3.43Å; D89-Q93 PolarHBondContact O-N 2.67Å
90	L	95.6	Very high	95.1	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-40.7	-179.3	179.6	62.3	0	0	0	110.5	F34 F48 V82 E87 S88 Q93 Y94	F34-L90 HydrophobicContact CB-CD1 4.34Å; F34-L90 HydrophobicContact CB-CD2 4.08Å; F34-L90 HydrophobicContact CD1-CD1 3.87Å; F34-L90 HydrophobicContact CD2-CD1 4.26Å; F34-L90 HydrophobicContact CD2-CD2 3.67Å; F34-L90 HydrophobicContact CD2-CG 4.46Å; F34-L90 HydrophobicContact CE1-CD1 4.21Å; F34-L90 HydrophobicContact CE2-CD2 4.27Å; F34-L90 HydrophobicContact CG-CD1 3.9Å; F34-L90 HydrophobicContact CG-CD2 3.91Å; F48-L90 HydrophobicContact CE1-CG 4.36Å; V82-L90 HydrophobicContact CG1-CD2 3.84Å; V82-L90 HydrophobicContact CG1-CG 4.45Å; V82-L90 HydrophobicContact CG2-CD2 3.98Å; E87-L90 HydrophobicContact CB-CB 4.24Å; E87-L90 WeakPolarHBondContact O-CB 3.22Å; E87-L90 PolarHBondContact O-N 2.66Å; E87-L90 VanDerWaalsContact O-N 3.11Å; S88-L90 PolarHBondContact O-N 2.76Å; L90-Q93 PolarHBondContact O-N 3.4Å; L90-Y94 HydrophobicContact CD1-CD2 4.21Å; L90-Y94 HydrophobicContact CD1-CE2 3.78Å; L90-Y94 VanDerWaalsContact O-CD2 3.32Å; L90-Y94 WeakPolarHBondContact O-CD2 3.16Å
91	A	95.8	Very high	95	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-45	173.7	0	0	0	0	0	111.3	F48 A84 E87 S88 Q93 Y94 G95 V96	F48-A91 HydrophobicContact CD1-CB 4.32Å; A84-A91 HydrophobicContact CB-CB 3.73Å; E87-A91 PolarHBondContact O-N 2.67Å; E87-A91 VanDerWaalsContact O-N 3.07Å; S88-A91 PolarHBondContact O-N 3.29Å; A91-Q93 PolarHBondContact O-N 3Å; A91-Y94 CarbonylContact O-C 3.55Å; A91-Y94 PolarHBondContact O-N 3.36Å; A91-G95 PolarHBondContact O-N 3.36Å; A91-V96 HydrophobicContact CB-CB 4.05Å; A91-V96 HydrophobicContact CB-CG2 4.4Å; A91-V96 WeakPolarHBondContact O-CB 3.36Å; A91-V96 WeakPolarHBondContact O-CG2 3.42Å; A91-V96 PolarHBondContact O-N 2.69Å
92	Q	94.6	Very high	95	Very high	150 Å²	150	54.5 Å²	54.5	70%	0.701	29%	0.288	S	S	*	.	H	α-helix	trans	-62.7	-40.7	177.2	-171.1	-178.7	15.6	0	0	111.9	S88 Y94 G95	S88-Q92 WeakPolarHBondContact O-CB 3.21Å; S88-Q92 PolarHBondContact O-N 3.38Å; Q92-Y94 PolarHBondContact O-N 3.43Å; Q92-Y94 VanDerWaalsContact O-N 3.11Å; Q92-G95 PolarHBondContact O-N 3.01Å
93	Q	95.5	Very high	95	Very high	124 Å²	124	55.6 Å²	55.6	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-55.3	-30.9	176.5	-179.1	-177.9	-21.1	0	0	112.8	D89 L90 A91	D89-Q93 VanDerWaalsContact O-CB 3.3Å; D89-Q93 WeakPolarHBondContact O-CB 3.43Å; D89-Q93 PolarHBondContact O-N 2.67Å; L90-Q93 PolarHBondContact O-N 3.4Å; A91-Q93 PolarHBondContact O-N 3Å
94	Y	95.4	Very high	95	Very high	24 Å²	24	55.1 Å²	55.1	9%	0.094	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.9	177.3	-67.5	-69.9	0	0	0	113.5	F34 F48 L90 A91 Q92 V96 K103 F105 T110 P113	F34-Y94 HydrophobicContact CD1-CE2 4.3Å; F34-Y94 AromaticContact CE1-CE2 3.48Å; F34-Y94 HydrophobicContact CE1-CE2 3.48Å; F34-Y94 VanDerWaalsContact CE1-CE2 3.48Å; F34-Y94 AromaticContact CE1-CZ 3.72Å; F34-Y94 WeakPolarHBondContact CE1-OH 3.29Å; F34-Y94 AromaticContact CZ-CE2 3.83Å; F34-Y94 HydrophobicContact CZ-CE2 3.83Å; F48-Y94 HydrophobicContact CE1-CD2 4.25Å; F48-Y94 AromaticContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CG 4.25Å; L90-Y94 HydrophobicContact CD1-CD2 4.21Å; L90-Y94 HydrophobicContact CD1-CE2 3.78Å; L90-Y94 VanDerWaalsContact O-CD2 3.32Å; L90-Y94 WeakPolarHBondContact O-CD2 3.16Å; A91-Y94 CarbonylContact O-C 3.55Å; A91-Y94 PolarHBondContact O-N 3.36Å; Q92-Y94 PolarHBondContact O-N 3.43Å; Q92-Y94 VanDerWaalsContact O-N 3.11Å; Y94-V96 VanDerWaalsContact C-N 3.3Å; Y94-V96 PolarHBondContact O-N 2.94Å; Y94-K103 WeakPolarHBondContact O-CE 3.46Å; Y94-F105 HydrophobicContact CD1-CE1 4.26Å; Y94-F105 HydrophobicContact CD1-CZ 4.13Å; Y94-F105 AromaticContact CE1-CE1 3.63Å; Y94-F105 HydrophobicContact CE1-CE1 3.63Å; Y94-F105 AromaticContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE2-CZ 4.39Å; Y94-F105 AromaticContact CZ-CE1 3.85Å; Y94-T110 VanDerWaalsContact OH-CG2 3.25Å; Y94-T110 WeakPolarHBondContact OH-CG2 3.19Å; Y94-P113 HydrophobicContact CD1-CG 4.22Å; Y94-P113 HydrophobicContact CE1-CG 4.49Å
95	G	93.6	Very high	95	Very high	54 Å²	54	54.9 Å²	54.9	56%	0.557	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	30.8	176.4	0	0	0	0	0	113.9	A91 Q92 R97	A91-G95 PolarHBondContact O-N 3.36Å; Q92-G95 PolarHBondContact O-N 3.01Å; G95-R97 PolarHBondContact O-N 2.81Å
96	V	93.7	Very high	95	Very high	13 Å²	13	53.3 Å²	53.3	8%	0.079	27%	0.274	C	S	.	.			trans	-72.8	112.3	178.9	178.5	0	0	0	0	109.4	F48 A91 Y94 Y99 T101	F48-V96 HydrophobicContact CB-CG1 3.99Å; F48-V96 HydrophobicContact CB-CG2 3.93Å; F48-V96 HydrophobicContact CD1-CG2 3.93Å; F48-V96 HydrophobicContact CD2-CG2 3.96Å; F48-V96 HydrophobicContact CE1-CG2 4.42Å; F48-V96 HydrophobicContact CE2-CG2 4.46Å; F48-V96 HydrophobicContact CG-CG2 3.67Å; A91-V96 HydrophobicContact CB-CB 4.05Å; A91-V96 HydrophobicContact CB-CG2 4.4Å; A91-V96 WeakPolarHBondContact O-CB 3.36Å; A91-V96 WeakPolarHBondContact O-CG2 3.42Å; A91-V96 PolarHBondContact O-N 2.69Å; Y94-V96 VanDerWaalsContact C-N 3.3Å; Y94-V96 PolarHBondContact O-N 2.94Å; V96-Y99 HydrophobicContact CG1-CD1 4.2Å; V96-Y99 HydrophobicContact CG1-CE1 3.84Å; V96-T101 HydrophobicContact CG1-CG2 4.41Å; V96-T101 HydrophobicContact CG2-CG2 3.88Å
97	R	90.2	Very high	94.7	Very high	203 Å²	203	51.7 Å²	51.7	77%	0.766	27%	0.27	S	S	*	.			trans	-115.2	0.4	178	-64.6	-167.5	178.2	-143.5	3.8	114.2	G95 E492	G95-R97 PolarHBondContact O-N 2.81Å; R97-E492 IonicContact CZ-OE1 2.78Å; R97-E492 IonicContact NH1-OE1 3.45Å; R97-E492 PolarHBondContact NH1-OE1 3.02Å; R97-E492 IonicContact NH1-OE2 3.67Å; R97-E492 PolarHBondContact NH1-OE2 2.87Å; R97-E492 IonicContact NH2-OE1 2.76Å
98	G	90	Very high	94.5	Very high	34 Å²	34	51.1 Å²	51.1	35%	0.351	27%	0.273	S	S	.	.	S	Bend	trans	-157.8	163.9	-178.9	0	0	0	0	0	111.8	T101	G98-T101 PolarHBondContact O-OG1 3.28Å
99	Y	93.1	Very high	94.3	Very high	70 Å²	70	50.7 Å²	50.7	28%	0.275	27%	0.265	S	S	.	.	S	Bend	trans	-128.9	139	-172.5	-50.2	-64.6	0	0	0	113.1	A50 W52 C53 A84 V96	A50-Y99 HydrophobicContact CB-CD1 4.47Å; A50-Y99 HydrophobicContact CB-CD2 3.72Å; A50-Y99 HydrophobicContact CB-CE2 3.92Å; A50-Y99 HydrophobicContact CB-CG 4.02Å; W52-Y99 HydrophobicContact CH2-CD2 4.04Å; W52-Y99 HydrophobicContact CH2-CE2 4.1Å; W52-Y99 HydrophobicContact CZ2-CD2 4.3Å; W52-Y99 HydrophobicContact CZ2-CE2 4.05Å; C53-Y99 PolarHBondContact SG-O 2.87Å; A84-Y99 HydrophobicContact CB-CD1 4.4Å; A84-Y99 HydrophobicContact CB-CE1 3.4Å; A84-Y99 VanDerWaalsContact CB-CE1 3.4Å; V96-Y99 HydrophobicContact CG1-CD1 4.2Å; V96-Y99 HydrophobicContact CG1-CE1 3.84Å
100	P	96.6	Very high	94.2	Very high	18 Å²	18	50 Å²	50	12%	0.117	26%	0.264	C	S	.	.	S	Bend	cis	-74.7	143.2	-10	30.5	-33.1	0	0	0	111.4	E47 F48 L59 I102	E47-P100 HydrophobicContact CG-CB 4.15Å; F48-P100 WeakPolarHBondContact O-CA 3.37Å; L59-P100 HydrophobicContact CD2-CB 4.17Å; L59-P100 HydrophobicContact CD2-CG 3.89Å; P100-I102 HydrophobicContact CB-CG1 4.35Å
101	T	97.6	Very high	93.9	Very high	18 Å²	18	54.1 Å²	54.1	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	162.8	-78	0	0	0	0	107.7	F48 V96 G98 K103 E115	F48-T101 HydrophobicContact CD2-CG2 4.49Å; F48-T101 PolarHBondContact N-O 3.11Å; F48-T101 PolarHBondContact O-N 3.42Å; F48-T101 VanDerWaalsContact O-N 3.07Å; V96-T101 HydrophobicContact CG1-CG2 4.41Å; V96-T101 HydrophobicContact CG2-CG2 3.88Å; G98-T101 PolarHBondContact O-OG1 3.28Å; T101-K103 HydrophobicContact CG2-CD 4.46Å; T101-K103 HydrophobicContact CG2-CG 4.17Å; T101-E115 WeakPolarHBondContact CG2-OE1 3.41Å
102	I	98.4	Very high	93.5	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.9	-174.2	-54.6	173	0	0	0	108.4	L45 V46 E47 L59 P100 Y116	L45-I102 HydrophobicContact CD1-CG2 3.66Å; L45-I102 HydrophobicContact CD2-CG2 4.03Å; L45-I102 HydrophobicContact CG-CG2 3.73Å; V46-I102 CarbonylContact O-C 3.58Å; V46-I102 WeakPolarHBondContact O-CA 3.3Å; E47-I102 HydrophobicContact CB-CG1 4.37Å; E47-I102 HydrophobicContact CG-CG1 4.2Å; L59-I102 HydrophobicContact CD2-CD1 3.59Å; P100-I102 HydrophobicContact CB-CG1 4.35Å; I102-Y116 HydrophobicContact CB-CD1 4.39Å; I102-Y116 HydrophobicContact CB-CG 4.47Å; I102-Y116 HydrophobicContact CD1-CD1 4.01Å; I102-Y116 HydrophobicContact CG2-CD1 4.39Å; I102-Y116 HydrophobicContact CG2-CG 4.19Å; I102-Y116 PolarHBondContact O-N 2.9Å
103	K	97.8	Very high	93.4	Very high	23 Å²	23	51.6 Å²	51.6	10%	0.1	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.3	-177.3	-68	-173.7	-171.5	-71.9	0	111.1	V46 F48 Y94 T101 F105 P113 K114 E115	V46-K103 PolarHBondContact N-O 3.1Å; V46-K103 PolarHBondContact O-N 3.35Å; F48-K103 HydrophobicContact CE2-CB 4.37Å; F48-K103 HydrophobicContact CE2-CD 4.37Å; Y94-K103 WeakPolarHBondContact O-CE 3.46Å; T101-K103 HydrophobicContact CG2-CD 4.46Å; T101-K103 HydrophobicContact CG2-CG 4.17Å; K103-F105 HydrophobicContact CB-CE2 3.82Å; K103-F105 HydrophobicContact CB-CZ 4.28Å; K103-P113 HydrophobicContact CB-CB 4.17Å; K103-P113 HydrophobicContact CD-CB 4.24Å; K103-P113 HydrophobicContact CD-CG 4.26Å; K103-K114 CarbonylContact C-O 3.57Å; K103-K114 WeakPolarHBondContact CA-O 3.33Å; K103-E115 IonicContact NZ-OE2 2.89Å; K103-E115 PolarHBondContact NZ-OE2 3.21Å
104	F	97.3	Very high	93.2	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.7	175.6	177.5	-110.3	0	0	0	110.4	Y43 L45 R106 P113 K114 W128 L129 T133	Y43-F104 AromaticContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CG-CZ 4.34Å; L45-F104 HydrophobicContact CB-CD2 4.48Å; L45-F104 HydrophobicContact CD1-CB 3.73Å; L45-F104 HydrophobicContact CD1-CD2 4.27Å; L45-F104 HydrophobicContact CD1-CG 4.49Å; F104-R106 HydrophobicContact CE1-CB 4.06Å; F104-P113 WeakPolarHBondContact O-CA 3.4Å; F104-K114 HydrophobicContact CB-CB 4.39Å; F104-K114 PolarHBondContact N-O 2.83Å; F104-K114 PolarHBondContact O-N 3.21Å; F104-W128 HydrophobicContact CB-CH2 3.73Å; F104-W128 HydrophobicContact CB-CZ3 3.78Å; F104-W128 HydrophobicContact CD1-CH2 4.44Å; F104-W128 HydrophobicContact CD1-CZ3 4.34Å; F104-W128 HydrophobicContact CD2-CZ3 4.4Å; F104-W128 HydrophobicContact CG-CH2 4.2Å; F104-W128 AromaticContact CG-CZ3 3.92Å; F104-W128 HydrophobicContact CG-CZ3 3.92Å; F104-L129 HydrophobicContact CD2-CD2 3.67Å; F104-L129 HydrophobicContact CE2-CD2 3.82Å; F104-T133 HydrophobicContact CE2-CG2 4.28Å; F104-T133 HydrophobicContact CZ-CG2 3.81Å
105	F	96.5	Very high	93.2	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.3	177.6	-63.4	-98.1	0	0	0	109.7	F34 L38 L44 V46 Y94 K103 D109 P113	F34-F105 HydrophobicContact CE1-CZ 4.38Å; F34-F105 HydrophobicContact CZ-CE1 4.41Å; F34-F105 HydrophobicContact CZ-CE2 4.12Å; F34-F105 AromaticContact CZ-CZ 3.88Å; F34-F105 HydrophobicContact CZ-CZ 3.88Å; L38-F105 HydrophobicContact CD1-CD1 4.25Å; L38-F105 HydrophobicContact CD1-CE1 4.47Å; L38-F105 HydrophobicContact CD2-CB 3.35Å; L38-F105 HydrophobicContact CD2-CD1 3.6Å; L38-F105 HydrophobicContact CD2-CD2 4.1Å; L38-F105 HydrophobicContact CD2-CE1 4.39Å; L38-F105 HydrophobicContact CD2-CG 3.41Å; L38-F105 VanDerWaalsContact CD2-CG 3.41Å; L44-F105 PolarHBondContact N-O 3.08Å; L44-F105 PolarHBondContact O-N 3.37Å; V46-F105 HydrophobicContact CB-CD2 4.3Å; V46-F105 HydrophobicContact CB-CE2 3.94Å; V46-F105 HydrophobicContact CG2-CD2 3.68Å; V46-F105 HydrophobicContact CG2-CE2 3.69Å; Y94-F105 HydrophobicContact CD1-CE1 4.26Å; Y94-F105 HydrophobicContact CD1-CZ 4.13Å; Y94-F105 AromaticContact CE1-CE1 3.63Å; Y94-F105 HydrophobicContact CE1-CE1 3.63Å; Y94-F105 AromaticContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE2-CZ 4.39Å; Y94-F105 AromaticContact CZ-CE1 3.85Å; K103-F105 HydrophobicContact CB-CE2 3.82Å; K103-F105 HydrophobicContact CB-CZ 4.28Å; F105-D109 WeakPolarHBondContact CD1-O 3.38Å; F105-P113 HydrophobicContact CD1-CB 4.01Å; F105-P113 HydrophobicContact CE1-CB 3.69Å; F105-P113 HydrophobicContact CE1-CG 4.21Å; F105-P113 HydrophobicContact CE2-CB 4.39Å; F105-P113 HydrophobicContact CG-CB 4.5Å; F105-P113 HydrophobicContact CZ-CB 3.89Å; F105-P113 HydrophobicContact CZ-CG 4.49Å
106	R	92	Very high	93.2	Very high	38 Å²	38	49.7 Å²	49.7	14%	0.143	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.2	178.7	-169.3	-178.1	-169.9	98.7	-2.1	109	K42 Y43 F104 G108 D109 R132 E177	K42-R106 CarbonylContact O-C 3.46Å; K42-R106 WeakPolarHBondContact O-CA 3.31Å; Y43-R106 HydrophobicContact CD1-CG 4.15Å; Y43-R106 HydrophobicContact CE1-CG 4.04Å; F104-R106 HydrophobicContact CE1-CB 4.06Å; R106-G108 PolarHBondContact O-N 3.08Å; R106-G108 VanDerWaalsContact O-N 3.08Å; R106-D109 WeakPolarHBondContact O-CB 3.3Å; R106-D109 PolarHBondContact O-N 2.85Å; R106-R132 PolarHBondContact NH1-O 3.26Å; R106-E177 IonicContact CZ-OE1 2.79Å; R106-E177 IonicContact CZ-OE2 2.69Å; R106-E177 VanDerWaalsContact NE-CD 3.28Å; R106-E177 IonicContact NE-OE1 3.68Å; R106-E177 IonicContact NE-OE2 2.78Å; R106-E177 PolarHBondContact NE-OE2 3.45Å; R106-E177 IonicContact NH2-OE1 2.68Å; R106-E177 PolarHBondContact NH2-OE1 2.85Å; R106-E177 IonicContact NH2-OE2 3.84Å
107	N	90.8	Very high	93.1	Very high	102 Å²	102	54.8 Å²	54.8	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	28.9	176.6	-72.9	67.7	0	0	0	114.2	K42 D109	K42-N107 WeakPolarHBondContact CE-OD1 3.33Å; K42-N107 WeakPolarHBondContact CG-OD1 3.49Å; K42-N107 PolarHBondContact O-N 3.35Å; N107-D109 PolarHBondContact O-N 2.81Å
108	G	91.8	Very high	93.2	Very high	22 Å²	22	47.1 Å²	47.1	23%	0.227	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	12.1	-176.3	0	0	0	0	0	115	L38 R106 T110	L38-G108 WeakPolarHBondContact O-CA 3.3Å; R106-G108 PolarHBondContact O-N 3.08Å; R106-G108 VanDerWaalsContact O-N 3.08Å; G108-T110 PolarHBondContact O-N 2.81Å
109	D	88.9	Confident	93.3	Very high	65 Å²	65	47 Å²	47	35%	0.348	28%	0.283	S	S	.	.			trans	-68	114.5	176.2	178.2	25.9	0	0	0	110.8	F105 R106 N107 A111 S112	F105-D109 WeakPolarHBondContact CD1-O 3.38Å; R106-D109 WeakPolarHBondContact O-CB 3.3Å; R106-D109 PolarHBondContact O-N 2.85Å; N107-D109 PolarHBondContact O-N 2.81Å; D109-A111 WeakPolarHBondContact OD1-CB 3.38Å; D109-A111 PolarHBondContact OD1-N 2.96Å; D109-S112 WeakPolarHBondContact OD2-CB 3.37Å; D109-S112 PolarHBondContact OD2-N 2.94Å; D109-S112 PolarHBondContact OD2-OG 3.19Å
110	T	93.6	Very high	93.3	Very high	70 Å²	70	49.5 Å²	49.5	43%	0.429	29%	0.292	S	S	.	.	S	Bend	trans	-90.1	-11.8	177.5	56.4	0	0	0	0	113.4	L38 Y94 G108	L38-T110 HydrophobicContact CD1-CG2 3.52Å; Y94-T110 VanDerWaalsContact OH-CG2 3.25Å; Y94-T110 WeakPolarHBondContact OH-CG2 3.19Å; G108-T110 PolarHBondContact O-N 2.81Å
111	A	89.5	Confident	93.3	Very high	90 Å²	90	54.7 Å²	54.7	74%	0.744	31%	0.314	S	S	*	.	S	Bend	trans	-83	-28.9	-175.9	0	0	0	0	0	112.6	D109 P113	D109-A111 WeakPolarHBondContact OD1-CB 3.38Å; D109-A111 PolarHBondContact OD1-N 2.96Å; A111-P113 VanDerWaalsContact C-CD 3.44Å
112	S	85.7	Confident	93.3	Very high	69 Å²	69	53.9 Å²	53.9	48%	0.483	31%	0.309	S	S	.	.	S	Bend	trans	-129.2	49.5	-176.7	74.7	0	0	0	0	115.5	D109 K114	D109-S112 WeakPolarHBondContact OD2-CB 3.37Å; D109-S112 PolarHBondContact OD2-N 2.94Å; D109-S112 PolarHBondContact OD2-OG 3.19Å; S112-K114 PolarHBondContact O-N 3.46Å
113	P	93.7	Very high	93.2	Very high	32 Å²	32	57.3 Å²	57.3	21%	0.208	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.7	136.4	175.8	27.6	-33.7	0	0	0	111.2	Y94 K103 F104 F105 A111	Y94-P113 HydrophobicContact CD1-CG 4.22Å; Y94-P113 HydrophobicContact CE1-CG 4.49Å; K103-P113 HydrophobicContact CB-CB 4.17Å; K103-P113 HydrophobicContact CD-CB 4.24Å; K103-P113 HydrophobicContact CD-CG 4.26Å; F104-P113 WeakPolarHBondContact O-CA 3.4Å; F105-P113 HydrophobicContact CD1-CB 4.01Å; F105-P113 HydrophobicContact CE1-CB 3.69Å; F105-P113 HydrophobicContact CE1-CG 4.21Å; F105-P113 HydrophobicContact CE2-CB 4.39Å; F105-P113 HydrophobicContact CG-CB 4.5Å; F105-P113 HydrophobicContact CZ-CB 3.89Å; F105-P113 HydrophobicContact CZ-CG 4.49Å; A111-P113 VanDerWaalsContact C-CD 3.44Å
114	K	91.8	Very high	93.1	Very high	63 Å²	63	58.9 Å²	58.9	27%	0.274	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.9	-179.1	-59.2	-65.4	-177	143.9	0	110.3	K103 F104 S112 W128 A178 D180	K103-K114 CarbonylContact C-O 3.57Å; K103-K114 WeakPolarHBondContact CA-O 3.33Å; F104-K114 HydrophobicContact CB-CB 4.39Å; F104-K114 PolarHBondContact N-O 2.83Å; F104-K114 PolarHBondContact O-N 3.21Å; S112-K114 PolarHBondContact O-N 3.46Å; K114-W128 HydrophobicContact CB-CH2 4.49Å; K114-A178 PolarHBondContact NZ-O 2.79Å; K114-D180 WeakPolarHBondContact CD-OD2 3.32Å; K114-D180 WeakPolarHBondContact CE-OD2 3.38Å; K114-D180 IonicContact NZ-OD2 2.69Å; K114-D180 PolarHBondContact NZ-OD2 2.87Å
115	E	93.8	Very high	93.1	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.9	173.9	-163.3	86.1	-149.2	0	0	110.4	T101 K103 T117	T101-E115 WeakPolarHBondContact CG2-OE1 3.41Å; K103-E115 IonicContact NZ-OE2 2.89Å; K103-E115 PolarHBondContact NZ-OE2 3.21Å; E115-T117 HydrophobicContact CB-CG2 4.4Å; E115-T117 HydrophobicContact CG-CG2 3.73Å
116	Y	95.2	Very high	93.1	Very high	13 Å²	13	58.9 Å²	58.9	5%	0.051	34%	0.337	C	S	.	.			trans	-95.3	110.7	170.9	176.9	-81.8	0	0	0	109.5	I102 A118 G119 I125 W128	I102-Y116 HydrophobicContact CB-CD1 4.39Å; I102-Y116 HydrophobicContact CB-CG 4.47Å; I102-Y116 HydrophobicContact CD1-CD1 4.01Å; I102-Y116 HydrophobicContact CG2-CD1 4.39Å; I102-Y116 HydrophobicContact CG2-CG 4.19Å; I102-Y116 PolarHBondContact O-N 2.9Å; Y116-A118 HydrophobicContact CE1-CB 4.23Å; Y116-A118 HydrophobicContact CE2-CB 3.97Å; Y116-G119 VanDerWaalsContact CE1-O 3.31Å; Y116-G119 WeakPolarHBondContact CE1-O 3.43Å; Y116-G119 VanDerWaalsContact CZ-O 3.31Å; Y116-G119 PolarHBondContact OH-O 2.89Å; Y116-I125 HydrophobicContact CE1-CG1 4.27Å; Y116-I125 HydrophobicContact CE2-CG1 4.36Å; Y116-I125 WeakPolarHBondContact OH-CA 3.18Å; Y116-I125 VanDerWaalsContact OH-CG1 3.32Å; Y116-I125 WeakPolarHBondContact OH-CG1 3.41Å; Y116-I125 PolarHBondContact OH-N 3.43Å; Y116-W128 HydrophobicContact CD2-CB 4.43Å; Y116-W128 AromaticContact CD2-CD2 3.46Å; Y116-W128 HydrophobicContact CD2-CD2 3.46Å; Y116-W128 VanDerWaalsContact CD2-CD2 3.46Å; Y116-W128 AromaticContact CD2-CE2 3.65Å; Y116-W128 AromaticContact CD2-CE3 3.71Å; Y116-W128 HydrophobicContact CD2-CE3 3.71Å; Y116-W128 AromaticContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CH2 4.35Å; Y116-W128 HydrophobicContact CD2-CZ2 4.11Å; Y116-W128 HydrophobicContact CD2-CZ3 4.16Å; Y116-W128 HydrophobicContact CE2-CB 3.72Å; Y116-W128 AromaticContact CE2-CD1 3.94Å; Y116-W128 AromaticContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CE3 4.12Å; Y116-W128 AromaticContact CE2-CG 3.54Å; Y116-W128 HydrophobicContact CE2-CG 3.54Å
117	T	90.9	Very high	93.2	Very high	120 Å²	120	61.8 Å²	61.8	74%	0.736	36%	0.356	S	S	*	.			trans	-119.2	11	-179.3	57.8	0	0	0	0	113.1	E115	E115-T117 HydrophobicContact CB-CG2 4.4Å; E115-T117 HydrophobicContact CG-CG2 3.73Å
118	A	91.6	Very high	93.3	Very high	43 Å²	43	58.2 Å²	58.2	36%	0.355	34%	0.335	S	S	.	.	S	Bend	trans	-80.8	-168.9	-179.7	0	0	0	0	0	112.2	Y116 W128	Y116-A118 HydrophobicContact CE1-CB 4.23Å; Y116-A118 HydrophobicContact CE2-CB 3.97Å; A118-W128 HydrophobicContact CB-CG 4.34Å
119	G	92	Very high	93.5	Very high	31 Å²	31	57.1 Å²	57.1	32%	0.32	32%	0.324	S	S	.	.			trans	-58.5	158.1	-177.5	0	0	0	0	0	114	Y116 D124	Y116-G119 VanDerWaalsContact CE1-O 3.31Å; Y116-G119 WeakPolarHBondContact CE1-O 3.43Å; Y116-G119 VanDerWaalsContact CZ-O 3.31Å; Y116-G119 PolarHBondContact OH-O 2.89Å; G119-D124 WeakPolarHBondContact CA-OD2 3.43Å
120	R	93.8	Very high	93.5	Very high	123 Å²	123	58 Å²	58	46%	0.464	32%	0.324	S	S	.	.	S	Bend	trans	-99.8	7	-175.3	-69.1	-174.8	174.9	179.2	-1.6	113.7	H55 L59 E62	H55-R120 PolarHBondContact ND1-NH1 3.47Å; L59-R120 HydrophobicContact CD1-CB 4.09Å; L59-R120 HydrophobicContact CD1-CG 4.42Å; E62-R120 WeakPolarHBondContact CB-O 3.41Å
121	E	96.8	Very high	93.3	Very high	127 Å²	127	62.5 Å²	62.5	59%	0.593	34%	0.338	S	S	*	.	S	Bend	trans	-85.9	152.3	175.8	-56.5	-175.3	122.3	0	0	110.8	D123 D124 I125	E121-D123 PolarHBondContact O-N 3.31Å; E121-D124 PolarHBondContact O-N 3.46Å; E121-D124 VanDerWaalsContact O-N 3.13Å; E121-I125 PolarHBondContact O-N 3.44Å
122	A	96.9	Very high	93.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-35.8	-177.5	0	0	0	0	0	113.1	E62 K65 A66 V126	E62-A122 HydrophobicContact CB-CB 4.45Å; E62-A122 WeakPolarHBondContact O-CB 3.39Å; E62-A122 WeakPolarHBondContact OE2-CB 3.36Å; E62-A122 PolarHBondContact OE2-N 3.06Å; K65-A122 HydrophobicContact CB-CB 4.02Å; K65-A122 HydrophobicContact CD-CB 3.77Å; K65-A122 HydrophobicContact CG-CB 3.75Å; A66-A122 HydrophobicContact CB-CB 4.08Å; A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.48Å; A122-V126 PolarHBondContact O-N 2.6Å; A122-V126 VanDerWaalsContact O-N 3.1Å
123	D	96.2	Very high	93.4	Very high	80 Å²	80	59 Å²	59	43%	0.428	30%	0.298	S	S	.	.	H	α-helix	trans	-70.9	-35.5	179.9	-72.9	-57.1	0	0	0	112.3	K69 E121 V126 N127	K69-D123 IonicContact NZ-OD1 3.97Å; K69-D123 PolarHBondContact NZ-OD1 2.69Å; K69-D123 IonicContact NZ-OD2 3.9Å; K69-D123 PolarHBondContact NZ-OD2 2.8Å; E121-D123 PolarHBondContact O-N 3.31Å; D123-V126 PolarHBondContact O-N 2.94Å; D123-N127 VanDerWaalsContact O-CB 3.28Å; D123-N127 WeakPolarHBondContact O-CB 3.24Å; D123-N127 PolarHBondContact O-N 3.37Å; D123-N127 PolarHBondContact O-ND2 3.1Å
124	D	95.4	Very high	92.9	Very high	57 Å²	57	58.8 Å²	58.8	31%	0.305	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-46	174.6	-62.6	-39.8	0	0	0	111.2	G119 E121 V126 N127 W128	G119-D124 WeakPolarHBondContact CA-OD2 3.43Å; E121-D124 PolarHBondContact O-N 3.46Å; E121-D124 VanDerWaalsContact O-N 3.13Å; D124-V126 PolarHBondContact O-N 3.08Å; D124-N127 PolarHBondContact O-N 3.11Å; D124-W128 VanDerWaalsContact O-CB 3.23Å; D124-W128 WeakPolarHBondContact O-CB 3.28Å; D124-W128 PolarHBondContact O-N 2.97Å
125	I	97.7	Very high	92.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-50.5	177.9	-65.2	166.2	0	0	0	109.9	L45 L59 Y63 A66 L79 Y116 E121 N127 W128 L129	L45-I125 HydrophobicContact CD2-CG2 3.85Å; L59-I125 HydrophobicContact CD1-CD1 4.27Å; Y63-I125 HydrophobicContact CD2-CD1 4.1Å; A66-I125 HydrophobicContact CB-CB 4.13Å; A66-I125 HydrophobicContact CB-CD1 4.42Å; A66-I125 HydrophobicContact CB-CG2 3.94Å; L79-I125 HydrophobicContact CD2-CG2 4.32Å; Y116-I125 HydrophobicContact CE1-CG1 4.27Å; Y116-I125 HydrophobicContact CE2-CG1 4.36Å; Y116-I125 WeakPolarHBondContact OH-CA 3.18Å; Y116-I125 VanDerWaalsContact OH-CG1 3.32Å; Y116-I125 WeakPolarHBondContact OH-CG1 3.41Å; Y116-I125 PolarHBondContact OH-N 3.43Å; E121-I125 PolarHBondContact O-N 3.44Å; I125-N127 PolarHBondContact O-N 3.38Å; I125-W128 PolarHBondContact O-N 3.17Å; I125-L129 HydrophobicContact CG2-CD1 3.76Å; I125-L129 WeakPolarHBondContact O-CB 3.35Å; I125-L129 WeakPolarHBondContact O-CD1 3.01Å; I125-L129 VanDerWaalsContact O-CG 3.25Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 3.46Å
126	V	96.7	Very high	92.5	Very high	5 Å²	5	58 Å²	58	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-44.9	179.9	171.9	0	0	0	0	111.2	A66 K69 L70 A122 D123 D124 L129 K130	A66-V126 HydrophobicContact CB-CG2 4.03Å; K69-V126 HydrophobicContact CB-CG2 4.44Å; L70-V126 HydrophobicContact CD1-CG2 4.48Å; L70-V126 HydrophobicContact CD2-CG1 4.2Å; L70-V126 HydrophobicContact CD2-CG2 4.45Å; L70-V126 HydrophobicContact CG-CG2 4.14Å; A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.48Å; A122-V126 PolarHBondContact O-N 2.6Å; A122-V126 VanDerWaalsContact O-N 3.1Å; D123-V126 PolarHBondContact O-N 2.94Å; D124-V126 PolarHBondContact O-N 3.08Å; V126-L129 PolarHBondContact O-N 3.26Å; V126-K130 HydrophobicContact CG1-CD 3.98Å; V126-K130 HydrophobicContact CG1-CG 4.36Å; V126-K130 WeakPolarHBondContact O-CB 3.5Å; V126-K130 WeakPolarHBondContact O-CG 3.48Å; V126-K130 PolarHBondContact O-N 3.14Å
127	N	93.7	Very high	92.6	Very high	99 Å²	99	57.5 Å²	57.5	53%	0.529	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-42.8	-179.2	-73.2	-29	0	0	0	112.1	D123 D124 I125 L129 K130 K131	D123-N127 VanDerWaalsContact O-CB 3.28Å; D123-N127 WeakPolarHBondContact O-CB 3.24Å; D123-N127 PolarHBondContact O-N 3.37Å; D123-N127 PolarHBondContact O-ND2 3.1Å; D124-N127 PolarHBondContact O-N 3.11Å; I125-N127 PolarHBondContact O-N 3.38Å; N127-L129 VanDerWaalsContact C-N 3.34Å; N127-L129 PolarHBondContact O-N 3.15Å; N127-K130 PolarHBondContact O-N 3.12Å; N127-K131 WeakPolarHBondContact O-CB 3.36Å; N127-K131 PolarHBondContact O-N 3.02Å
128	W	94.3	Very high	92.8	Very high	27 Å²	27	55.6 Å²	55.6	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-42.8	177	-174.5	105.4	0	0	0	111.6	L45 F104 K114 Y116 A118 D124 I125 R132	L45-W128 HydrophobicContact CD1-CZ3 4.49Å; F104-W128 HydrophobicContact CB-CH2 3.73Å; F104-W128 HydrophobicContact CB-CZ3 3.78Å; F104-W128 HydrophobicContact CD1-CH2 4.44Å; F104-W128 HydrophobicContact CD1-CZ3 4.34Å; F104-W128 HydrophobicContact CD2-CZ3 4.4Å; F104-W128 HydrophobicContact CG-CH2 4.2Å; F104-W128 AromaticContact CG-CZ3 3.92Å; F104-W128 HydrophobicContact CG-CZ3 3.92Å; K114-W128 HydrophobicContact CB-CH2 4.49Å; Y116-W128 HydrophobicContact CD2-CB 4.43Å; Y116-W128 AromaticContact CD2-CD2 3.46Å; Y116-W128 HydrophobicContact CD2-CD2 3.46Å; Y116-W128 VanDerWaalsContact CD2-CD2 3.46Å; Y116-W128 AromaticContact CD2-CE2 3.65Å; Y116-W128 AromaticContact CD2-CE3 3.71Å; Y116-W128 HydrophobicContact CD2-CE3 3.71Å; Y116-W128 AromaticContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CH2 4.35Å; Y116-W128 HydrophobicContact CD2-CZ2 4.11Å; Y116-W128 HydrophobicContact CD2-CZ3 4.16Å; Y116-W128 HydrophobicContact CE2-CB 3.72Å; Y116-W128 AromaticContact CE2-CD1 3.94Å; Y116-W128 AromaticContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CE3 4.12Å; Y116-W128 AromaticContact CE2-CG 3.54Å; Y116-W128 HydrophobicContact CE2-CG 3.54Å; A118-W128 HydrophobicContact CB-CG 4.34Å; D124-W128 VanDerWaalsContact O-CB 3.23Å; D124-W128 WeakPolarHBondContact O-CB 3.28Å; D124-W128 PolarHBondContact O-N 2.97Å; I125-W128 PolarHBondContact O-N 3.17Å; W128-R132 VanDerWaalsContact CD2-NH1 3.29Å; W128-R132 VanDerWaalsContact CZ3-CD 3.42Å; W128-R132 PolarHBondContact O-N 3Å
129	L	94.6	Very high	93.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-50.4	176.4	-73.5	165.5	0	0	0	110.8	L45 L70 I77 L79 F104 I125 V126 N127 K131 R132 T133	L45-L129 HydrophobicContact CB-CD2 4.09Å; L45-L129 HydrophobicContact CD1-CD2 4.26Å; L45-L129 HydrophobicContact CD2-CD1 3.97Å; L45-L129 HydrophobicContact CD2-CD2 4.22Å; L45-L129 HydrophobicContact CD2-CG 4.36Å; L45-L129 HydrophobicContact CG-CD2 4.43Å; L70-L129 HydrophobicContact CD1-CD1 3.91Å; I77-L129 HydrophobicContact CD1-CB 4.1Å; I77-L129 HydrophobicContact CG2-CB 4.36Å; I77-L129 HydrophobicContact CG2-CD1 3.92Å; I77-L129 HydrophobicContact CG2-CD2 4.11Å; I77-L129 HydrophobicContact CG2-CG 4.37Å; L79-L129 HydrophobicContact CD1-CD1 3.83Å; F104-L129 HydrophobicContact CD2-CD2 3.67Å; F104-L129 HydrophobicContact CE2-CD2 3.82Å; I125-L129 HydrophobicContact CG2-CD1 3.76Å; I125-L129 WeakPolarHBondContact O-CB 3.35Å; I125-L129 WeakPolarHBondContact O-CD1 3.01Å; I125-L129 VanDerWaalsContact O-CG 3.25Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 3.46Å; V126-L129 PolarHBondContact O-N 3.26Å; N127-L129 VanDerWaalsContact C-N 3.34Å; N127-L129 PolarHBondContact O-N 3.15Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 PolarHBondContact O-N 3.28Å; L129-R132 PolarHBondContact O-N 3.16Å; L129-T133 WeakPolarHBondContact O-CG2 3.24Å; L129-T133 PolarHBondContact O-N 2.93Å; L129-T133 PolarHBondContact O-OG1 2.96Å; L129-T133 VanDerWaalsContact O-OG1 3.05Å
130	K	90.5	Very high	93.4	Very high	82 Å²	82	57.4 Å²	57.4	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-57.2	-39.2	178	-77.8	-176.9	178.7	177.2	0	112.4	E73 V126 N127 R132 G134	E73-K130 IonicContact OE1-NZ 3.31Å; E73-K130 PolarHBondContact OE1-NZ 3.43Å; E73-K130 WeakPolarHBondContact OE2-CE 3.45Å; E73-K130 IonicContact OE2-NZ 2.66Å; E73-K130 PolarHBondContact OE2-NZ 3.25Å; V126-K130 HydrophobicContact CG1-CD 3.98Å; V126-K130 HydrophobicContact CG1-CG 4.36Å; V126-K130 WeakPolarHBondContact O-CB 3.5Å; V126-K130 WeakPolarHBondContact O-CG 3.48Å; V126-K130 PolarHBondContact O-N 3.14Å; N127-K130 PolarHBondContact O-N 3.12Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.07Å; K130-G134 PolarHBondContact O-N 2.75Å
131	K	87.7	Confident	93.5	Very high	165 Å²	165	55.4 Å²	55.4	72%	0.717	30%	0.302	S	S	*	.	H	α-helix	trans	-61	-38.7	175.7	-174.3	-180	176.4	-174	0	111.9	N127 L129	N127-K131 WeakPolarHBondContact O-CB 3.36Å; N127-K131 PolarHBondContact O-N 3.02Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 PolarHBondContact O-N 3.28Å
132	R	88.8	Confident	93.6	Very high	63 Å²	63	52.9 Å²	52.9	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-86.1	-28.4	-177.5	-78.2	174.3	171.3	80	-5.6	114.3	R106 W128 L129 K130 D180	R106-R132 PolarHBondContact NH1-O 3.26Å; W128-R132 VanDerWaalsContact CD2-NH1 3.29Å; W128-R132 VanDerWaalsContact CZ3-CD 3.42Å; W128-R132 PolarHBondContact O-N 3Å; L129-R132 PolarHBondContact O-N 3.16Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.07Å; R132-D180 IonicContact CZ-OD1 3Å; R132-D180 IonicContact NE-OD1 4Å; R132-D180 PolarHBondContact NE-OD1 2.92Å; R132-D180 IonicContact NH2-OD1 2.71Å; R132-D180 PolarHBondContact NH2-OD1 2.8Å
133	T	88.7	Confident	93.6	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-94.1	-8.1	179.4	63.9	0	0	0	0	113.2	Y43 I77 F104 L129	Y43-T133 HydrophobicContact CD1-CG2 3.67Å; Y43-T133 HydrophobicContact CD2-CG2 3.69Å; Y43-T133 HydrophobicContact CE1-CG2 4.09Å; Y43-T133 HydrophobicContact CE2-CG2 4.09Å; Y43-T133 HydrophobicContact CG-CG2 3.45Å; Y43-T133 VanDerWaalsContact CG-CG2 3.45Å; I77-T133 HydrophobicContact CD1-CG2 3.87Å; I77-T133 WeakPolarHBondContact CD1-OG1 3.49Å; I77-T133 HydrophobicContact CG1-CG2 3.98Å; F104-T133 HydrophobicContact CE2-CG2 4.28Å; F104-T133 HydrophobicContact CZ-CG2 3.81Å; L129-T133 WeakPolarHBondContact O-CG2 3.24Å; L129-T133 PolarHBondContact O-N 2.93Å; L129-T133 PolarHBondContact O-OG1 2.96Å; L129-T133 VanDerWaalsContact O-OG1 3.05Å
134	G	84	Confident	93.7	Very high	26 Å²	26	52.7 Å²	52.7	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	-63.6	-175.8	169.8	0	0	0	0	0	112.8	K130 A136	K130-G134 PolarHBondContact O-N 2.75Å; G134-A136 PolarHBondContact O-N 3Å
135	P	86.3	Confident	93.8	Very high	106 Å²	106	51.4 Å²	51.4	69%	0.688	30%	0.301	S	S	*	.			trans	-61.2	127.4	176.9	27.2	-33.7	0	0	0	109.8	A137	P135-A137 PolarHBondContact O-N 3.07Å; P135-A137 VanDerWaalsContact O-N 3.14Å
136	A	91.7	Very high	93.8	Very high	26 Å²	26	51.3 Å²	51.3	22%	0.215	30%	0.301	C	S	.	.	S	Bend	trans	-58.2	-29.7	-177.6	0	0	0	0	0	112.8	G134 L173 A176 E177	G134-A136 PolarHBondContact O-N 3Å; A136-L173 HydrophobicContact CB-CD2 4.27Å; A136-A176 HydrophobicContact CB-CB 3.84Å; A136-E177 HydrophobicContact CB-CB 4.48Å; A136-E177 HydrophobicContact CB-CG 3.45Å; A136-E177 VanDerWaalsContact CB-CG 3.45Å
137	A	95.8	Very high	93.9	Very high	3 Å²	3	56 Å²	56	3%	0.025	32%	0.322	C	S	.	.	S	Bend	trans	-127.5	137.3	171.6	0	0	0	0	0	110.6	P135 F172 L173 F184 I186	P135-A137 PolarHBondContact O-N 3.07Å; P135-A137 VanDerWaalsContact O-N 3.14Å; A137-F172 HydrophobicContact CB-CE1 3.85Å; A137-L173 HydrophobicContact CB-CD2 3.74Å; A137-F184 CarbonylContact C-O 3.55Å; A137-F184 WeakPolarHBondContact CA-O 3.31Å; A137-F184 HydrophobicContact CB-CB 3.78Å; A137-I186 HydrophobicContact CB-CB 3.99Å; A137-I186 HydrophobicContact CB-CG2 4Å
138	T	95.4	Very high	94.1	Very high	79 Å²	79	55.2 Å²	55.2	49%	0.485	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.2	176.3	-58.1	0	0	0	0	109.8	L140 F184 G185 I186	T138-L140 HydrophobicContact CG2-CD2 4.5Å; T138-L140 PolarHBondContact O-N 3.49Å; T138-F184 PolarHBondContact N-O 2.79Å; T138-G185 CarbonylContact O-C 3.47Å; T138-G185 VanDerWaalsContact O-CA 3.3Å; T138-G185 WeakPolarHBondContact O-CA 3.42Å; T138-I186 PolarHBondContact O-N 3.09Å
139	T	97.8	Very high	94.2	Very high	106 Å²	106	54.9 Å²	54.9	65%	0.65	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	124	174.8	-57.1	0	0	0	0	110.7	P141 I186	T139-P141 WeakPolarHBondContact O-CD 2.8Å; T139-I186 CarbonylContact C-O 3.44Å; T139-I186 WeakPolarHBondContact CA-O 3.38Å
140	L	98.1	Very high	94.3	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	33%	0.334	C	S	.	.			trans	-103.7	104.1	-177.5	-53.7	174.8	0	0	0	109.9	T138 D142 A145 A146 L149 I158 I186 T187	T138-L140 HydrophobicContact CG2-CD2 4.5Å; T138-L140 PolarHBondContact O-N 3.49Å; L140-D142 PolarHBondContact O-N 2.9Å; L140-A145 HydrophobicContact CB-CB 4.49Å; L140-A145 HydrophobicContact CD2-CB 4.26Å; L140-A146 HydrophobicContact CD1-CB 4.03Å; L140-L149 HydrophobicContact CD1-CD2 4.07Å; L140-L149 HydrophobicContact CD2-CB 4.32Å; L140-L149 HydrophobicContact CD2-CD2 4.19Å; L140-I158 HydrophobicContact CD1-CD1 3.72Å; L140-I158 HydrophobicContact CD1-CG1 4.02Å; L140-I158 HydrophobicContact CD1-CG2 3.88Å; L140-I186 PolarHBondContact N-O 3.28Å; L140-T187 WeakPolarHBondContact O-CB 3.47Å; L140-T187 PolarHBondContact O-OG1 3.15Å
141	P	97.3	Very high	94.6	Very high	82 Å²	82	58.6 Å²	58.6	53%	0.532	35%	0.345	S	S	.	.			trans	-73.4	-25.5	-174.8	28.8	-36.2	0	0	0	113.4	T139 A145 N189	T139-P141 WeakPolarHBondContact O-CD 2.8Å; P141-A145 HydrophobicContact CG-CB 4.23Å; P141-N189 PolarHBondContact O-ND2 3.34Å
142	D	98.2	Very high	94.9	Very high	73 Å²	73	54.8 Å²	54.8	39%	0.39	34%	0.339	S	S	.	.	S	Bend	trans	-153.9	178.3	-174.8	61.8	46.3	0	0	0	112.3	L140 A144 A145 A146 V192	L140-D142 PolarHBondContact O-N 2.9Å; D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.26Å; D142-A144 WeakPolarHBondContact OD1-CA 3.32Å; D142-A144 WeakPolarHBondContact OD1-CB 3.3Å; D142-A144 PolarHBondContact OD1-N 3.19Å; D142-A145 PolarHBondContact O-N 3.11Å; D142-A145 PolarHBondContact OD1-N 3.47Å; D142-A146 PolarHBondContact O-N 3Å; D142-V192 VanDerWaalsContact C-CG2 3.44Å
143	G	97.3	Very high	95	Very high	14 Å²	14	53.3 Å²	53.3	14%	0.144	34%	0.339	C	S	.	.	H	α-helix	trans	-71.2	-19.2	-177.9	0	0	0	0	0	114.6	E147 K195	G143-E147 WeakPolarHBondContact O-CG 3.36Å; G143-E147 PolarHBondContact O-N 2.94Å; G143-K195 PolarHBondContact O-NZ 2.81Å
144	A	97.9	Very high	95.2	Very high	63 Å²	63	58 Å²	58	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-78.7	-39.8	177	0	0	0	0	0	110.3	D142 A146 E147 S148	D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.26Å; D142-A144 WeakPolarHBondContact OD1-CA 3.32Å; D142-A144 WeakPolarHBondContact OD1-CB 3.3Å; D142-A144 PolarHBondContact OD1-N 3.19Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.94Å; A144-E147 PolarHBondContact O-N 2.83Å; A144-S148 WeakPolarHBondContact O-CB 3.46Å; A144-S148 PolarHBondContact O-N 2.88Å
145	A	98.1	Very high	95.8	Very high	29 Å²	29	57.4 Å²	57.4	24%	0.24	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-41.6	171.6	0	0	0	0	0	111.8	L140 P141 D142 S148 L149	L140-A145 HydrophobicContact CB-CB 4.49Å; L140-A145 HydrophobicContact CD2-CB 4.26Å; P141-A145 HydrophobicContact CG-CB 4.23Å; D142-A145 PolarHBondContact O-N 3.11Å; D142-A145 PolarHBondContact OD1-N 3.47Å; A145-S148 PolarHBondContact O-N 3.12Å; A145-L149 PolarHBondContact O-N 3.12Å
146	A	97.9	Very high	96.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-44.5	177	0	0	0	0	0	112.8	L140 D142 A144 L149 V150 I158 V192 Y196	L140-A146 HydrophobicContact CD1-CB 4.03Å; D142-A146 PolarHBondContact O-N 3Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.94Å; A146-L149 PolarHBondContact O-N 3.42Å; A146-V150 WeakPolarHBondContact O-CG2 3.37Å; A146-V150 PolarHBondContact O-N 3.02Å; A146-V150 VanDerWaalsContact O-N 3.1Å; A146-I158 HydrophobicContact CB-CD1 4.1Å; A146-V192 HydrophobicContact CB-CG1 3.81Å; A146-Y196 HydrophobicContact CB-CE2 3.82Å
147	E	97.9	Very high	96.7	Very high	103 Å²	103	51.1 Å²	51.1	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-44.2	174.1	-80.8	171.6	166.8	0	0	112.1	G143 A144 L149 V150 E151 K195	G143-E147 WeakPolarHBondContact O-CG 3.36Å; G143-E147 PolarHBondContact O-N 2.94Å; A144-E147 PolarHBondContact O-N 2.83Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.49Å; E147-V150 PolarHBondContact O-N 2.9Å; E147-E151 WeakPolarHBondContact O-CB 3.4Å; E147-E151 PolarHBondContact O-N 2.96Å; E147-K195 VanDerWaalsContact CD-CE 3.49Å; E147-K195 WeakPolarHBondContact OE1-CE 3.38Å; E147-K195 IonicContact OE1-NZ 2.89Å; E147-K195 PolarHBondContact OE1-NZ 2.74Å; E147-K195 IonicContact OE2-NZ 2.75Å; E147-K195 PolarHBondContact OE2-NZ 3.3Å
148	S	97.8	Very high	96.8	Very high	83 Å²	83	51 Å²	51	58%	0.58	31%	0.306	S	S	*	.	H	α-helix	trans	-60.4	-37.1	178.4	-173.7	0	0	0	0	112.2	A144 A145 S152	A144-S148 WeakPolarHBondContact O-CB 3.46Å; A144-S148 PolarHBondContact O-N 2.88Å; A145-S148 PolarHBondContact O-N 3.12Å; S148-S152 WeakPolarHBondContact O-CB 3.32Å; S148-S152 PolarHBondContact O-N 3.47Å; S148-S152 VanDerWaalsContact O-N 3.16Å
149	L	96.5	Very high	97	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-49.7	175.8	-175	73.9	0	0	0	110.9	L140 A145 A146 E147 E151 S152 I158 P183 G185	L140-L149 HydrophobicContact CD1-CD2 4.07Å; L140-L149 HydrophobicContact CD2-CB 4.32Å; L140-L149 HydrophobicContact CD2-CD2 4.19Å; A145-L149 PolarHBondContact O-N 3.12Å; A146-L149 PolarHBondContact O-N 3.42Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.49Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.84Å; L149-S152 PolarHBondContact O-N 3.25Å; L149-S152 PolarHBondContact O-OG 3.28Å; L149-I158 HydrophobicContact CD2-CD1 4.34Å; L149-I158 HydrophobicContact CD2-CG1 4.03Å; L149-P183 HydrophobicContact CD1-CB 3.93Å; L149-G185 VanDerWaalsContact CD2-CA 3.5Å
150	V	96.8	Very high	97	Very high	32 Å²	32	42.1 Å²	42.1	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-36.8	-180	173.2	0	0	0	0	111.5	A146 E147 S152 S153 A156 I158 F206	A146-V150 WeakPolarHBondContact O-CG2 3.37Å; A146-V150 PolarHBondContact O-N 3.02Å; A146-V150 VanDerWaalsContact O-N 3.1Å; E147-V150 PolarHBondContact O-N 2.9Å; V150-S152 VanDerWaalsContact C-N 3.34Å; V150-S153 VanDerWaalsContact O-O 3.08Å; V150-A156 HydrophobicContact CG2-CB 4.49Å; V150-I158 HydrophobicContact CG2-CD1 3.93Å; V150-F206 HydrophobicContact CB-CB 4.36Å; V150-F206 HydrophobicContact CB-CG 4.49Å; V150-F206 HydrophobicContact CG1-CB 3.57Å; V150-F206 HydrophobicContact CG1-CD1 4.33Å; V150-F206 HydrophobicContact CG1-CG 3.98Å; V150-F206 HydrophobicContact CG2-CB 3.88Å; V150-F206 HydrophobicContact CG2-CD1 4.23Å; V150-F206 HydrophobicContact CG2-CD2 3.56Å; V150-F206 HydrophobicContact CG2-CE2 4.15Å; V150-F206 HydrophobicContact CG2-CG 3.61Å
151	E	96	Very high	97	Very high	128 Å²	128	41.9 Å²	41.9	60%	0.598	25%	0.25	S	S	*	.	H	α-helix	trans	-73.6	-26.8	178.8	-167.6	55.5	-128.9	0	0	112.8	E147 L149 S153 K208	E147-E151 WeakPolarHBondContact O-CB 3.4Å; E147-E151 PolarHBondContact O-N 2.96Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.84Å; E151-S153 PolarHBondContact O-N 2.91Å; E151-K208 PolarHBondContact O-NZ 3.13Å; E151-K208 IonicContact OE1-NZ 2.7Å; E151-K208 PolarHBondContact OE1-NZ 2.8Å
152	S	93.9	Very high	97	Very high	85 Å²	85	42.9 Å²	42.9	59%	0.594	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.8	-175	72.4	0	0	0	0	114.9	S148 L149 V150	S148-S152 WeakPolarHBondContact O-CB 3.32Å; S148-S152 PolarHBondContact O-N 3.47Å; S148-S152 VanDerWaalsContact O-N 3.16Å; L149-S152 PolarHBondContact O-N 3.25Å; L149-S152 PolarHBondContact O-OG 3.28Å; V150-S152 VanDerWaalsContact C-N 3.34Å
153	S	92.6	Very high	97	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.224	25%	0.251	C	S	.	.	S	Bend	trans	-145.1	156.4	-173.7	-179.7	0	0	0	0	111.3	V150 E151 V155 P183 K208	V150-S153 VanDerWaalsContact O-O 3.08Å; E151-S153 PolarHBondContact O-N 2.91Å; S153-V155 VanDerWaalsContact C-N 3.28Å; S153-V155 VanDerWaalsContact CB-O 3.26Å; S153-V155 WeakPolarHBondContact CB-O 3.34Å; S153-V155 PolarHBondContact OG-N 2.6Å; S153-V155 PolarHBondContact OG-O 3.3Å; S153-P183 VanDerWaalsContact CB-CG 3.47Å; S153-P183 WeakPolarHBondContact OG-CD 3.39Å; S153-K208 VanDerWaalsContact O-CE 3.28Å; S153-K208 WeakPolarHBondContact O-CE 3.26Å
154	E	92.9	Very high	96.9	Very high	123 Å²	123	45.8 Å²	45.8	58%	0.575	26%	0.26	S	S	*	.	S	Bend	trans	-68.4	-30.8	176.2	-166	164	177.7	0	0	112.4	K207 K208 F209	E154-K207 CarbonylContact O-C 3.51Å; E154-K207 WeakPolarHBondContact O-CA 3.41Å; E154-K208 HydrophobicContact CG-CB 4.24Å; E154-K208 PolarHBondContact O-N 3.25Å; E154-F209 HydrophobicContact CG-CD1 4.06Å; E154-F209 HydrophobicContact CG-CE1 4.05Å
155	V	95.8	Very high	96.8	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.4	170.4	-179	0	0	0	0	108.9	S153 I182 P183 L205 F206 K207 F209 Q233	S153-V155 VanDerWaalsContact C-N 3.28Å; S153-V155 VanDerWaalsContact CB-O 3.26Å; S153-V155 WeakPolarHBondContact CB-O 3.34Å; S153-V155 PolarHBondContact OG-N 2.6Å; S153-V155 PolarHBondContact OG-O 3.3Å; V155-I182 HydrophobicContact CG1-CD1 4.06Å; V155-I182 HydrophobicContact CG1-CG1 4.44Å; V155-I182 HydrophobicContact CG1-CG2 4.15Å; V155-P183 VanDerWaalsContact O-CD 3.29Å; V155-P183 WeakPolarHBondContact O-CD 3.38Å; V155-L205 HydrophobicContact CG1-CD1 4.04Å; V155-L205 HydrophobicContact CG1-CD2 4.06Å; V155-L205 HydrophobicContact CG1-CG 3.93Å; V155-F206 CarbonylContact C-O 3.57Å; V155-F206 VanDerWaalsContact CA-O 3.3Å; V155-F206 WeakPolarHBondContact CA-O 3.48Å; V155-K207 HydrophobicContact CG2-CB 4.15Å; V155-F209 HydrophobicContact CG2-CE1 3.77Å; V155-F209 HydrophobicContact CG2-CZ 3.8Å; V155-Q233 HydrophobicContact CG1-CB 4.49Å
156	A	98.1	Very high	96.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149	173.9	0	0	0	0	0	110.4	V150 P183 F206	V150-A156 HydrophobicContact CG2-CB 4.49Å; A156-P183 HydrophobicContact CB-CG 3.99Å; A156-F206 PolarHBondContact N-O 3.02Å; A156-F206 PolarHBondContact O-N 2.69Å
157	V	98.6	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.8	-179.4	-178.3	0	0	0	0	110.1	F172 I182 P183 F184 G185 V203 V204 L205 I229	V157-F172 HydrophobicContact CG1-CE2 3.86Å; V157-F172 HydrophobicContact CG1-CZ 4.46Å; V157-I182 HydrophobicContact CG2-CG2 3.88Å; V157-P183 PolarHBondContact N-O 2.9Å; V157-F184 HydrophobicContact CB-CD1 3.77Å; V157-F184 HydrophobicContact CB-CE1 3.71Å; V157-F184 HydrophobicContact CB-CG 4.4Å; V157-F184 HydrophobicContact CB-CZ 4.27Å; V157-F184 HydrophobicContact CG1-CD1 3.93Å; V157-F184 HydrophobicContact CG1-CE1 3.76Å; V157-F184 HydrophobicContact CG2-CE1 4.19Å; V157-F184 HydrophobicContact CG2-CZ 4.33Å; V157-F184 CarbonylContact O-C 3.53Å; V157-F184 VanDerWaalsContact O-CA 3.3Å; V157-F184 WeakPolarHBondContact O-CA 3.22Å; V157-G185 PolarHBondContact O-N 2.95Å; V157-V203 HydrophobicContact CG1-CG1 3.56Å; V157-V204 WeakPolarHBondContact CA-O 3.34Å; V157-L205 HydrophobicContact CG2-CB 4.26Å; V157-L205 HydrophobicContact CG2-CD1 4.16Å; V157-L205 HydrophobicContact CG2-CG 4.14Å; V157-I229 HydrophobicContact CG1-CD1 4.43Å; V157-I229 HydrophobicContact CG2-CD1 4.16Å; V157-I229 HydrophobicContact CG2-CG1 4.13Å
158	I	98.7	Very high	96.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.3	176.7	-57.5	179.7	0	0	0	110.4	L140 A146 L149 V150 F160 G185 T187 V203 V204 F206	L140-I158 HydrophobicContact CD1-CD1 3.72Å; L140-I158 HydrophobicContact CD1-CG1 4.02Å; L140-I158 HydrophobicContact CD1-CG2 3.88Å; A146-I158 HydrophobicContact CB-CD1 4.1Å; L149-I158 HydrophobicContact CD2-CD1 4.34Å; L149-I158 HydrophobicContact CD2-CG1 4.03Å; V150-I158 HydrophobicContact CG2-CD1 3.93Å; I158-F160 HydrophobicContact CB-CD2 4.47Å; I158-F160 HydrophobicContact CB-CE2 3.73Å; I158-F160 HydrophobicContact CB-CZ 4.08Å; I158-F160 HydrophobicContact CG2-CD2 3.99Å; I158-F160 HydrophobicContact CG2-CE1 4.21Å; I158-F160 HydrophobicContact CG2-CE2 3.49Å; I158-F160 VanDerWaalsContact CG2-CE2 3.49Å; I158-F160 HydrophobicContact CG2-CZ 3.62Å; I158-F160 WeakPolarHBondContact O-CD2 3.3Å; I158-F160 WeakPolarHBondContact O-CE2 3.34Å; I158-G185 CarbonylContact C-O 3.6Å; I158-G185 WeakPolarHBondContact CA-O 3.47Å; I158-T187 HydrophobicContact CG2-CG2 4.47Å; I158-V203 WeakPolarHBondContact O-CA 3.36Å; I158-V204 PolarHBondContact N-O 2.66Å; I158-V204 PolarHBondContact O-N 3.39Å; I158-F206 HydrophobicContact CB-CE2 4.06Å; I158-F206 HydrophobicContact CD1-CD2 4.22Å; I158-F206 HydrophobicContact CD1-CE2 3.77Å; I158-F206 HydrophobicContact CG1-CD2 4.24Å; I158-F206 HydrophobicContact CG1-CE2 3.94Å
159	G	98.6	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.5	167.7	0	0	0	0	0	111.4	F172 G185 I186 T187	G159-F172 VanDerWaalsContact N-CZ 3.25Å; G159-G185 PolarHBondContact N-O 3.07Å; G159-I186 CarbonylContact O-C 3.53Å; G159-I186 WeakPolarHBondContact O-CA 3.43Å; G159-T187 PolarHBondContact O-N 2.93Å
160	F	98.6	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	103	178.7	-62.7	-100.3	0	0	0	107.3	I158 T187 V192 F193 Y196 L198 D201 G202 V204	I158-F160 HydrophobicContact CB-CD2 4.47Å; I158-F160 HydrophobicContact CB-CE2 3.73Å; I158-F160 HydrophobicContact CB-CZ 4.08Å; I158-F160 HydrophobicContact CG2-CD2 3.99Å; I158-F160 HydrophobicContact CG2-CE1 4.21Å; I158-F160 HydrophobicContact CG2-CE2 3.49Å; I158-F160 VanDerWaalsContact CG2-CE2 3.49Å; I158-F160 HydrophobicContact CG2-CZ 3.62Å; I158-F160 WeakPolarHBondContact O-CD2 3.3Å; I158-F160 WeakPolarHBondContact O-CE2 3.34Å; F160-T187 HydrophobicContact CD1-CG2 3.55Å; F160-T187 HydrophobicContact CE1-CG2 3.95Å; F160-T187 HydrophobicContact CG-CG2 4.21Å; F160-V192 HydrophobicContact CE1-CG1 3.98Å; F160-F193 HydrophobicContact CB-CD1 4.1Å; F160-F193 HydrophobicContact CB-CD2 4.22Å; F160-F193 HydrophobicContact CB-CE1 3.73Å; F160-F193 HydrophobicContact CB-CE2 3.86Å; F160-F193 HydrophobicContact CB-CG 4.35Å; F160-F193 HydrophobicContact CB-CZ 3.62Å; F160-F193 AromaticContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CE2 4.17Å; F160-F193 HydrophobicContact CD1-CG 4.04Å; F160-Y196 AromaticContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CG 4.39Å; F160-Y196 AromaticContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CE2 4.29Å; F160-Y196 AromaticContact CZ-CG 3.97Å; F160-Y196 HydrophobicContact CZ-CG 3.97Å; F160-L198 HydrophobicContact CB-CD1 3.73Å; F160-L198 HydrophobicContact CD1-CD1 4.22Å; F160-L198 HydrophobicContact CD2-CD1 3.53Å; F160-L198 HydrophobicContact CE2-CD1 4.15Å; F160-L198 HydrophobicContact CG-CD1 3.58Å; F160-D201 CarbonylContact O-C 3.58Å; F160-D201 WeakPolarHBondContact O-CA 3.43Å; F160-D201 WeakPolarHBondContact O-CB 3.46Å; F160-G202 PolarHBondContact N-O 3.04Å; F160-G202 PolarHBondContact O-N 2.98Å; F160-V204 HydrophobicContact CD2-CG2 4.15Å; F160-V204 HydrophobicContact CE2-CB 3.95Å; F160-V204 HydrophobicContact CE2-CG2 3.67Å
161	F	98.4	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.			trans	-132.9	122	-177.2	-61.7	-76.9	0	0	0	110.5	D163 A169 F172 I186 T187 S188 D201 V203 V220	F161-D163 VanDerWaalsContact C-N 3.26Å; F161-D163 PolarHBondContact O-N 3.1Å; F161-A169 HydrophobicContact CB-CB 3.99Å; F161-A169 HydrophobicContact CD1-CB 4.13Å; F161-A169 HydrophobicContact CD2-CB 3.94Å; F161-A169 HydrophobicContact CE2-CB 4.48Å; F161-A169 HydrophobicContact CG-CB 3.74Å; F161-F172 HydrophobicContact CE2-CB 3.61Å; F161-F172 AromaticContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD2 4.28Å; F161-F172 AromaticContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CZ-CB 3.72Å; F161-F172 HydrophobicContact CZ-CG 4.14Å; F161-I186 HydrophobicContact CD2-CD1 3.96Å; F161-I186 HydrophobicContact CD2-CG1 4.12Å; F161-T187 PolarHBondContact N-O 3.43Å; F161-S188 WeakPolarHBondContact O-CA 3.34Å; F161-S188 WeakPolarHBondContact O-CB 3.36Å; F161-D201 WeakPolarHBondContact CA-OD1 3.43Å; F161-D201 HydrophobicContact CD1-CB 3.94Å; F161-D201 HydrophobicContact CE1-CB 4.41Å; F161-V203 HydrophobicContact CE2-CG2 4.37Å; F161-V203 HydrophobicContact CZ-CG2 3.94Å; F161-V220 HydrophobicContact CE1-CG1 4.36Å; F161-V220 HydrophobicContact CZ-CG1 4.14Å
162	K	97.1	Very high	97	Very high	104 Å²	104	45.4 Å²	45.4	45%	0.452	24%	0.241	S	C	.	.	S	Bend	trans	-61.7	-39.1	176.7	-64.6	-49.1	-179.7	-163.1	0	111.7	F193 D201	K162-F193 HydrophobicContact CD-CE1 3.95Å; K162-F193 HydrophobicContact CD-CE2 4.27Å; K162-F193 HydrophobicContact CD-CZ 3.71Å; K162-F193 VanDerWaalsContact CE-CE1 3.49Å; K162-F193 HydrophobicContact CG-CZ 4.38Å; K162-F193 VanDerWaalsContact NZ-CE1 3.3Å; K162-F193 VanDerWaalsContact NZ-CG 3.27Å; K162-D201 WeakPolarHBondContact CG-OD1 3.31Å; K162-D201 PolarHBondContact N-OD1 3.01Å
163	D	97.2	Very high	97.1	Very high	91 Å²	91	43.7 Å²	43.7	49%	0.487	23%	0.225	S	C	.	.	S	Bend	trans	-112.4	110.2	171.9	-175	-3.6	0	0	0	109.5	F161 E165 S166	F161-D163 VanDerWaalsContact C-N 3.26Å; F161-D163 PolarHBondContact O-N 3.1Å; D163-E165 PolarHBondContact O-N 3.42Å; D163-E165 WeakPolarHBondContact OD1-CB 3.42Å; D163-E165 PolarHBondContact OD1-N 2.9Å; D163-S166 VanDerWaalsContact O-CB 3.23Å; D163-S166 WeakPolarHBondContact O-CB 3.15Å; D163-S166 PolarHBondContact O-N 3.02Å; D163-S166 PolarHBondContact O-OG 3.1Å
164	V	95.6	Very high	97.2	Very high	56 Å²	56	46.6 Å²	46.6	34%	0.339	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.1	179.3	-62.9	0	0	0	0	112.9	A169 I186	V164-A169 VanDerWaalsContact O-CB 3.26Å; V164-A169 WeakPolarHBondContact O-CB 3.47Å; V164-I186 HydrophobicContact CB-CD1 4.49Å; V164-I186 HydrophobicContact CG1-CD1 4.28Å; V164-I186 HydrophobicContact CG1-CG1 4.48Å
165	E	95.7	Very high	97.3	Very high	124 Å²	124	40.8 Å²	40.8	58%	0.579	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	1.8	175.6	-62.9	-58.3	139.9	0	0	113.2	D163 K170	D163-E165 PolarHBondContact O-N 3.42Å; D163-E165 WeakPolarHBondContact OD1-CB 3.42Å; D163-E165 PolarHBondContact OD1-N 2.9Å; E165-K170 WeakPolarHBondContact O-CE 3.49Å; E165-K170 PolarHBondContact O-NZ 3.37Å
166	S	97.2	Very high	97.3	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.182	21%	0.206	C	C	.	.	S	Bend	trans	-61.1	158.5	175	66.6	0	0	0	0	112.1	D163 S168 A169 K170	D163-S166 VanDerWaalsContact O-CB 3.23Å; D163-S166 WeakPolarHBondContact O-CB 3.15Å; D163-S166 PolarHBondContact O-N 3.02Å; D163-S166 PolarHBondContact O-OG 3.1Å; S166-S168 VanDerWaalsContact C-N 3.33Å; S166-S168 PolarHBondContact O-N 2.93Å; S166-A169 PolarHBondContact O-N 2.96Å; S166-A169 VanDerWaalsContact OG-CB 3.3Å; S166-A169 WeakPolarHBondContact OG-CB 3.44Å; S166-A169 PolarHBondContact OG-N 2.94Å; S166-K170 WeakPolarHBondContact O-CG 3.38Å; S166-K170 PolarHBondContact O-N 3.04Å
167	D	97.4	Very high	97	Very high	117 Å²	117	43.8 Å²	43.8	63%	0.626	22%	0.222	S	C	*	.	H	α-helix	trans	-59.8	-44.1	178.9	-167.2	56.8	0	0	0	111.8	A169 K170 Q171	D167-A169 PolarHBondContact O-N 3.41Å; D167-K170 WeakPolarHBondContact O-CB 3.21Å; D167-K170 PolarHBondContact O-N 3.34Å; D167-K170 VanDerWaalsContact O-N 3.15Å; D167-Q171 VanDerWaalsContact O-CG 3.3Å; D167-Q171 WeakPolarHBondContact O-CG 3.34Å; D167-Q171 PolarHBondContact O-N 3.12Å
168	S	97.8	Very high	96.5	Very high	44 Å²	44	45.5 Å²	45.5	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-37.7	175.9	-57.6	0	0	0	0	113.2	S166 K170 Q171 F172	S166-S168 VanDerWaalsContact C-N 3.33Å; S166-S168 PolarHBondContact O-N 2.93Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-Q171 PolarHBondContact O-N 3.02Å; S168-F172 WeakPolarHBondContact O-CB 3.48Å; S168-F172 PolarHBondContact O-N 2.96Å
169	A	98.1	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-38.9	174.1	0	0	0	0	0	111.5	F161 V164 S166 D167 F172 L173 I186	F161-A169 HydrophobicContact CB-CB 3.99Å; F161-A169 HydrophobicContact CD1-CB 4.13Å; F161-A169 HydrophobicContact CD2-CB 3.94Å; F161-A169 HydrophobicContact CE2-CB 4.48Å; F161-A169 HydrophobicContact CG-CB 3.74Å; V164-A169 VanDerWaalsContact O-CB 3.26Å; V164-A169 WeakPolarHBondContact O-CB 3.47Å; S166-A169 PolarHBondContact O-N 2.96Å; S166-A169 VanDerWaalsContact OG-CB 3.3Å; S166-A169 WeakPolarHBondContact OG-CB 3.44Å; S166-A169 PolarHBondContact OG-N 2.94Å; D167-A169 PolarHBondContact O-N 3.41Å; A169-F172 WeakPolarHBondContact O-CB 3.25Å; A169-F172 PolarHBondContact O-N 3.04Å; A169-L173 VanDerWaalsContact O-CG 3.3Å; A169-L173 WeakPolarHBondContact O-CG 3.49Å; A169-L173 PolarHBondContact O-N 2.69Å; A169-I186 HydrophobicContact CB-CD1 4.43Å
170	K	97.3	Very high	95.3	Very high	96 Å²	96	49.8 Å²	49.8	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175.5	-71.5	172.6	179.1	160.7	0	112.3	E165 S166 D167 S168 F172 L173 Q174	E165-K170 WeakPolarHBondContact O-CE 3.49Å; E165-K170 PolarHBondContact O-NZ 3.37Å; S166-K170 WeakPolarHBondContact O-CG 3.38Å; S166-K170 PolarHBondContact O-N 3.04Å; D167-K170 WeakPolarHBondContact O-CB 3.21Å; D167-K170 PolarHBondContact O-N 3.34Å; D167-K170 VanDerWaalsContact O-N 3.15Å; S168-K170 VanDerWaalsContact C-N 3.34Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.26Å; K170-L173 PolarHBondContact O-N 3.44Å; K170-Q174 WeakPolarHBondContact O-CG 3.19Å; K170-Q174 PolarHBondContact O-N 3.41Å
171	Q	98.1	Very high	94.6	Very high	41 Å²	41	54 Å²	54	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-42.9	173.5	-69.9	-82.2	11.4	0	0	111.5	D167 S168 Q174 A175	D167-Q171 VanDerWaalsContact O-CG 3.3Å; D167-Q171 WeakPolarHBondContact O-CG 3.34Å; D167-Q171 PolarHBondContact O-N 3.12Å; S168-Q171 PolarHBondContact O-N 3.02Å; Q171-Q174 WeakPolarHBondContact O-CB 3.15Å; Q171-Q174 PolarHBondContact O-N 3.32Å; Q171-A175 PolarHBondContact O-N 3Å
172	F	98.5	Very high	94.4	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-45.8	174.1	170	-99.8	0	0	0	112.7	A137 V157 G159 F161 S168 A169 K170 Q174 A175 A176 F184 G185 I186 V203 L225	A137-F172 HydrophobicContact CB-CE1 3.85Å; V157-F172 HydrophobicContact CG1-CE2 3.86Å; V157-F172 HydrophobicContact CG1-CZ 4.46Å; G159-F172 VanDerWaalsContact N-CZ 3.25Å; F161-F172 HydrophobicContact CE2-CB 3.61Å; F161-F172 AromaticContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD2 4.28Å; F161-F172 AromaticContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CZ-CB 3.72Å; F161-F172 HydrophobicContact CZ-CG 4.14Å; S168-F172 WeakPolarHBondContact O-CB 3.48Å; S168-F172 PolarHBondContact O-N 2.96Å; A169-F172 WeakPolarHBondContact O-CB 3.25Å; A169-F172 PolarHBondContact O-N 3.04Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.26Å; F172-Q174 VanDerWaalsContact C-N 3.3Å; F172-Q174 PolarHBondContact O-N 3.24Å; F172-A175 PolarHBondContact O-N 3Å; F172-A176 PolarHBondContact O-N 3.44Å; F172-F184 HydrophobicContact CE1-CD1 4.49Å; F172-F184 AromaticContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CE1 4.17Å; F172-F184 HydrophobicContact CZ-CB 4.44Å; F172-F184 AromaticContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CE1 4.48Å; F172-G185 WeakPolarHBondContact CZ-O 3.38Å; F172-I186 HydrophobicContact CD1-CD1 4.26Å; F172-I186 HydrophobicContact CE1-CB 4.19Å; F172-I186 HydrophobicContact CE1-CD1 4.48Å; F172-I186 HydrophobicContact CE1-CG1 4.47Å; F172-V203 HydrophobicContact CD2-CG1 4.13Å; F172-V203 HydrophobicContact CD2-CG2 3.67Å; F172-V203 HydrophobicContact CE2-CG1 3.89Å; F172-V203 HydrophobicContact CE2-CG2 4.15Å; F172-V203 HydrophobicContact CG-CG2 4.47Å; F172-L225 HydrophobicContact CB-CD1 3.99Å; F172-L225 HydrophobicContact CD2-CD1 4.03Å
173	L	96.8	Very high	94.2	Very high	49 Å²	49	51.3 Å²	51.3	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-37.7	176.5	-68.7	171.1	0	0	0	111.6	A136 A137 A169 K170 A175 A176 E177 I186	A136-L173 HydrophobicContact CB-CD2 4.27Å; A137-L173 HydrophobicContact CB-CD2 3.74Å; A169-L173 VanDerWaalsContact O-CG 3.3Å; A169-L173 WeakPolarHBondContact O-CG 3.49Å; A169-L173 PolarHBondContact O-N 2.69Å; K170-L173 PolarHBondContact O-N 3.44Å; L173-A175 VanDerWaalsContact C-N 3.35Å; L173-A175 PolarHBondContact O-N 3.37Å; L173-A176 WeakPolarHBondContact O-CB 3.25Å; L173-A176 PolarHBondContact O-N 2.79Å; L173-E177 WeakPolarHBondContact O-CG 3.18Å; L173-E177 PolarHBondContact O-N 3.42Å; L173-I186 HydrophobicContact CD2-CD1 4.41Å
174	Q	94.3	Very high	94.3	Very high	94 Å²	94	47.3 Å²	47.3	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-35.9	174.3	-73.3	175.2	-22	0	0	113.1	K170 Q171 F172 K222	K170-Q174 WeakPolarHBondContact O-CG 3.19Å; K170-Q174 PolarHBondContact O-N 3.41Å; Q171-Q174 WeakPolarHBondContact O-CB 3.15Å; Q171-Q174 PolarHBondContact O-N 3.32Å; F172-Q174 VanDerWaalsContact C-N 3.3Å; F172-Q174 PolarHBondContact O-N 3.24Å; Q174-K222 HydrophobicContact CB-CB 4.44Å; Q174-K222 HydrophobicContact CB-CD 4.18Å; Q174-K222 HydrophobicContact CB-CG 4.28Å
175	A	95.7	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-42.1	172	0	0	0	0	0	111.2	Q171 F172 L173 E177 A178 K222 L225 L226	Q171-A175 PolarHBondContact O-N 3Å; F172-A175 PolarHBondContact O-N 3Å; L173-A175 VanDerWaalsContact C-N 3.35Å; L173-A175 PolarHBondContact O-N 3.37Å; A175-E177 VanDerWaalsContact C-N 3.3Å; A175-E177 PolarHBondContact O-N 2.72Å; A175-A178 PolarHBondContact O-N 2.69Å; A175-A178 VanDerWaalsContact O-N 3.12Å; A175-K222 HydrophobicContact CB-CG 4.39Å; A175-L225 HydrophobicContact CB-CB 3.89Å; A175-L225 HydrophobicContact CB-CD1 4.08Å; A175-L226 HydrophobicContact CB-CD2 4.26Å; A175-L226 HydrophobicContact CB-CG 4.4Å
176	A	95.5	Very high	94.5	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-36.1	176	0	0	0	0	0	112.7	A136 F172 L173 A178 I179 F184	A136-A176 HydrophobicContact CB-CB 3.84Å; F172-A176 PolarHBondContact O-N 3.44Å; L173-A176 WeakPolarHBondContact O-CB 3.25Å; L173-A176 PolarHBondContact O-N 2.79Å; A176-A178 VanDerWaalsContact C-N 3.25Å; A176-A178 PolarHBondContact O-N 2.9Å; A176-I179 PolarHBondContact O-N 2.84Å; A176-I179 VanDerWaalsContact O-O 3.14Å; A176-F184 HydrophobicContact CB-CB 3.82Å; A176-F184 HydrophobicContact CB-CD1 3.49Å; A176-F184 VanDerWaalsContact CB-CD1 3.49Å; A176-F184 HydrophobicContact CB-CD2 3.84Å; A176-F184 HydrophobicContact CB-CE1 3.95Å; A176-F184 HydrophobicContact CB-CE2 4.3Å; A176-F184 HydrophobicContact CB-CG 3.43Å; A176-F184 VanDerWaalsContact CB-CG 3.43Å; A176-F184 HydrophobicContact CB-CZ 4.34Å
177	E	91.1	Very high	94.6	Very high	71 Å²	71	38 Å²	38	33%	0.332	20%	0.202	S	C	.	.	H	α-helix	trans	-66.5	-24.7	175.5	-71.2	-174.8	171.3	0	0	113.9	R106 A136 L173 A175	R106-E177 IonicContact CZ-OE1 2.79Å; R106-E177 IonicContact CZ-OE2 2.69Å; R106-E177 VanDerWaalsContact NE-CD 3.28Å; R106-E177 IonicContact NE-OE1 3.68Å; R106-E177 IonicContact NE-OE2 2.78Å; R106-E177 PolarHBondContact NE-OE2 3.45Å; R106-E177 IonicContact NH2-OE1 2.68Å; R106-E177 PolarHBondContact NH2-OE1 2.85Å; R106-E177 IonicContact NH2-OE2 3.84Å; A136-E177 HydrophobicContact CB-CB 4.48Å; A136-E177 HydrophobicContact CB-CG 3.45Å; A136-E177 VanDerWaalsContact CB-CG 3.45Å; L173-E177 WeakPolarHBondContact O-CG 3.18Å; L173-E177 PolarHBondContact O-N 3.42Å; A175-E177 VanDerWaalsContact C-N 3.3Å; A175-E177 PolarHBondContact O-N 2.72Å
178	A	89.7	Confident	94.6	Very high	36 Å²	36	35.6 Å²	35.6	30%	0.298	19%	0.194	S	C	.	.	H	α-helix	trans	-84.2	-20.2	-177.8	0	0	0	0	0	113	K114 A175 A176 L226	K114-A178 PolarHBondContact NZ-O 2.79Å; A175-A178 PolarHBondContact O-N 2.69Å; A175-A178 VanDerWaalsContact O-N 3.12Å; A176-A178 VanDerWaalsContact C-N 3.25Å; A176-A178 PolarHBondContact O-N 2.9Å; A178-L226 HydrophobicContact CB-CD1 4.36Å; A178-L226 HydrophobicContact CB-CD2 4.11Å
179	I	89	Confident	94.6	Very high	29 Å²	29	35.7 Å²	35.7	15%	0.149	19%	0.192	C	C	.	.			trans	-109.9	118.3	-174.5	-64.4	168.8	0	0	0	110	A176 D181 I182 F184 L226 I229	A176-I179 PolarHBondContact O-N 2.84Å; A176-I179 VanDerWaalsContact O-O 3.14Å; I179-D181 WeakPolarHBondContact CG2-OD1 3.35Å; I179-I182 HydrophobicContact CG2-CB 3.78Å; I179-I182 HydrophobicContact CG2-CD1 4.12Å; I179-I182 HydrophobicContact CG2-CG1 3.95Å; I179-F184 HydrophobicContact CB-CE2 3.8Å; I179-F184 HydrophobicContact CB-CZ 4.09Å; I179-F184 HydrophobicContact CD1-CE2 4.37Å; I179-F184 HydrophobicContact CD1-CZ 3.8Å; I179-F184 HydrophobicContact CG2-CE2 3.87Å; I179-F184 HydrophobicContact CG2-CZ 4.34Å; I179-L226 HydrophobicContact CD1-CD2 3.46Å; I179-L226 VanDerWaalsContact CD1-CD2 3.46Å; I179-L226 HydrophobicContact CG1-CD2 3.72Å; I179-I229 HydrophobicContact CD1-CB 4.22Å; I179-I229 HydrophobicContact CD1-CD1 3.72Å; I179-I229 HydrophobicContact CD1-CG2 3.9Å
180	D	82.6	Confident	94.5	Very high	61 Å²	61	38.7 Å²	38.7	33%	0.326	21%	0.212	S	C	.	.	S	Bend	trans	-94	-27.1	-175.1	-72.6	-83.4	0	0	0	113.9	K114 R132	K114-D180 WeakPolarHBondContact CD-OD2 3.32Å; K114-D180 WeakPolarHBondContact CE-OD2 3.38Å; K114-D180 IonicContact NZ-OD2 2.69Å; K114-D180 PolarHBondContact NZ-OD2 2.87Å; R132-D180 IonicContact CZ-OD1 3Å; R132-D180 IonicContact NE-OD1 4Å; R132-D180 PolarHBondContact NE-OD1 2.92Å; R132-D180 IonicContact NH2-OD1 2.71Å; R132-D180 PolarHBondContact NH2-OD1 2.8Å
181	D	84.1	Confident	94.5	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	22%	0.221	S	C	.	.	S	Bend	trans	-98.8	-4.5	-167.1	64.2	-27.1	0	0	0	113.9	I179 K247	I179-D181 WeakPolarHBondContact CG2-OD1 3.35Å; D181-K247 VanDerWaalsContact OD2-CE 3.24Å; D181-K247 WeakPolarHBondContact OD2-CE 3.25Å; D181-K247 IonicContact OD2-NZ 2.72Å; D181-K247 PolarHBondContact OD2-NZ 3.14Å
182	I	92.8	Very high	94.5	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.056	21%	0.212	C	C	.	.	S	Bend	trans	-116.6	127.5	176.6	-59.2	176.9	0	0	0	109.2	V155 V157 I179 F184 I229 Q233	V155-I182 HydrophobicContact CG1-CD1 4.06Å; V155-I182 HydrophobicContact CG1-CG1 4.44Å; V155-I182 HydrophobicContact CG1-CG2 4.15Å; V157-I182 HydrophobicContact CG2-CG2 3.88Å; I179-I182 HydrophobicContact CG2-CB 3.78Å; I179-I182 HydrophobicContact CG2-CD1 4.12Å; I179-I182 HydrophobicContact CG2-CG1 3.95Å; I182-F184 HydrophobicContact CB-CE2 4.07Å; I182-F184 HydrophobicContact CG2-CE2 4.19Å; I182-F184 WeakPolarHBondContact O-CD2 3.18Å; I182-F184 WeakPolarHBondContact O-CE2 3.23Å; I182-I229 HydrophobicContact CD1-CG2 3.53Å; I182-Q233 HydrophobicContact CD1-CB 4.08Å
183	P	94.7	Very high	94.5	Very high	36 Å²	36	37.6 Å²	37.6	23%	0.234	21%	0.212	C	C	.	.			trans	-71.1	132.6	171.7	29.1	-34.8	0	0	0	111.7	L149 S153 V155 A156 V157	L149-P183 HydrophobicContact CD1-CB 3.93Å; S153-P183 VanDerWaalsContact CB-CG 3.47Å; S153-P183 WeakPolarHBondContact OG-CD 3.39Å; V155-P183 VanDerWaalsContact O-CD 3.29Å; V155-P183 WeakPolarHBondContact O-CD 3.38Å; A156-P183 HydrophobicContact CB-CG 3.99Å; V157-P183 PolarHBondContact N-O 2.9Å
184	F	98	Very high	94.5	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.9	174.4	-72.9	-105.1	0	0	0	111.6	A137 T138 V157 F172 A176 I179 I182 I229	A137-F184 CarbonylContact C-O 3.55Å; A137-F184 WeakPolarHBondContact CA-O 3.31Å; A137-F184 HydrophobicContact CB-CB 3.78Å; T138-F184 PolarHBondContact N-O 2.79Å; V157-F184 HydrophobicContact CB-CD1 3.77Å; V157-F184 HydrophobicContact CB-CE1 3.71Å; V157-F184 HydrophobicContact CB-CG 4.4Å; V157-F184 HydrophobicContact CB-CZ 4.27Å; V157-F184 HydrophobicContact CG1-CD1 3.93Å; V157-F184 HydrophobicContact CG1-CE1 3.76Å; V157-F184 HydrophobicContact CG2-CE1 4.19Å; V157-F184 HydrophobicContact CG2-CZ 4.33Å; V157-F184 CarbonylContact O-C 3.53Å; V157-F184 VanDerWaalsContact O-CA 3.3Å; V157-F184 WeakPolarHBondContact O-CA 3.22Å; F172-F184 HydrophobicContact CE1-CD1 4.49Å; F172-F184 AromaticContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CE1 4.17Å; F172-F184 HydrophobicContact CZ-CB 4.44Å; F172-F184 AromaticContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CE1 4.48Å; A176-F184 HydrophobicContact CB-CB 3.82Å; A176-F184 HydrophobicContact CB-CD1 3.49Å; A176-F184 VanDerWaalsContact CB-CD1 3.49Å; A176-F184 HydrophobicContact CB-CD2 3.84Å; A176-F184 HydrophobicContact CB-CE1 3.95Å; A176-F184 HydrophobicContact CB-CE2 4.3Å; A176-F184 HydrophobicContact CB-CG 3.43Å; A176-F184 VanDerWaalsContact CB-CG 3.43Å; A176-F184 HydrophobicContact CB-CZ 4.34Å; I179-F184 HydrophobicContact CB-CE2 3.8Å; I179-F184 HydrophobicContact CB-CZ 4.09Å; I179-F184 HydrophobicContact CD1-CE2 4.37Å; I179-F184 HydrophobicContact CD1-CZ 3.8Å; I179-F184 HydrophobicContact CG2-CE2 3.87Å; I179-F184 HydrophobicContact CG2-CZ 4.34Å; I182-F184 HydrophobicContact CB-CE2 4.07Å; I182-F184 HydrophobicContact CG2-CE2 4.19Å; I182-F184 WeakPolarHBondContact O-CD2 3.18Å; I182-F184 WeakPolarHBondContact O-CE2 3.23Å; F184-I229 HydrophobicContact CE1-CD1 3.78Å; F184-I229 HydrophobicContact CZ-CD1 3.7Å
185	G	98.1	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.1	171.3	0	0	0	0	0	111.4	T138 L149 V157 I158 G159 F172	T138-G185 CarbonylContact O-C 3.47Å; T138-G185 VanDerWaalsContact O-CA 3.3Å; T138-G185 WeakPolarHBondContact O-CA 3.42Å; L149-G185 VanDerWaalsContact CD2-CA 3.5Å; V157-G185 PolarHBondContact O-N 2.95Å; I158-G185 CarbonylContact C-O 3.6Å; I158-G185 WeakPolarHBondContact CA-O 3.47Å; G159-G185 PolarHBondContact N-O 3.07Å; F172-G185 WeakPolarHBondContact CZ-O 3.38Å
186	I	98.6	Very high	94.7	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.7	173.8	-169.4	168.3	0	0	0	110.4	A137 T138 T139 L140 G159 F161 V164 A169 F172 L173	A137-I186 HydrophobicContact CB-CB 3.99Å; A137-I186 HydrophobicContact CB-CG2 4Å; T138-I186 PolarHBondContact O-N 3.09Å; T139-I186 CarbonylContact C-O 3.44Å; T139-I186 WeakPolarHBondContact CA-O 3.38Å; L140-I186 PolarHBondContact N-O 3.28Å; G159-I186 CarbonylContact O-C 3.53Å; G159-I186 WeakPolarHBondContact O-CA 3.43Å; F161-I186 HydrophobicContact CD2-CD1 3.96Å; F161-I186 HydrophobicContact CD2-CG1 4.12Å; V164-I186 HydrophobicContact CB-CD1 4.49Å; V164-I186 HydrophobicContact CG1-CD1 4.28Å; V164-I186 HydrophobicContact CG1-CG1 4.48Å; A169-I186 HydrophobicContact CB-CD1 4.43Å; F172-I186 HydrophobicContact CD1-CD1 4.26Å; F172-I186 HydrophobicContact CE1-CB 4.19Å; F172-I186 HydrophobicContact CE1-CD1 4.48Å; F172-I186 HydrophobicContact CE1-CG1 4.47Å; L173-I186 HydrophobicContact CD2-CD1 4.41Å
187	T	98.5	Very high	94.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.5	178.1	-165.8	0	0	0	0	112.6	L140 I158 G159 F160 F161 N189 V192 F193	L140-T187 WeakPolarHBondContact O-CB 3.47Å; L140-T187 PolarHBondContact O-OG1 3.15Å; I158-T187 HydrophobicContact CG2-CG2 4.47Å; G159-T187 PolarHBondContact O-N 2.93Å; F160-T187 HydrophobicContact CD1-CG2 3.55Å; F160-T187 HydrophobicContact CE1-CG2 3.95Å; F160-T187 HydrophobicContact CG-CG2 4.21Å; F161-T187 PolarHBondContact N-O 3.43Å; T187-N189 PolarHBondContact OG1-N 3.3Å; T187-V192 HydrophobicContact CG2-CB 3.93Å; T187-V192 HydrophobicContact CG2-CG1 3.87Å; T187-F193 HydrophobicContact CG2-CD2 4.33Å; T187-F193 HydrophobicContact CG2-CE2 4.18Å; T187-F193 WeakPolarHBondContact O-CE2 3.37Å
188	S	98	Very high	95	Very high	66 Å²	66	43.7 Å²	43.7	46%	0.462	25%	0.246	S	C	.	.			trans	-110.3	-2	167.6	58.1	0	0	0	0	112.7	F161 S190	F161-S188 WeakPolarHBondContact O-CA 3.34Å; F161-S188 WeakPolarHBondContact O-CB 3.36Å; S188-S190 PolarHBondContact O-N 2.98Å
189	N	97.7	Very high	94.9	Very high	46 Å²	46	48.8 Å²	48.8	25%	0.246	27%	0.269	C	S	.	.			trans	-76.9	118.4	-176.2	-178.1	-19.4	0	0	0	111.1	P141 T187 D191 V192 F193	P141-N189 PolarHBondContact O-ND2 3.34Å; T187-N189 PolarHBondContact OG1-N 3.3Å; N189-D191 PolarHBondContact O-N 2.81Å; N189-D191 VanDerWaalsContact O-N 3.16Å; N189-D191 WeakPolarHBondContact OD1-CB 3.48Å; N189-D191 PolarHBondContact OD1-N 3.48Å; N189-V192 HydrophobicContact CB-CG2 3.9Å; N189-V192 WeakPolarHBondContact O-CB 3.48Å; N189-V192 PolarHBondContact O-N 3.43Å; N189-F193 WeakPolarHBondContact O-CD2 3.3Å; N189-F193 PolarHBondContact O-N 3.46Å
190	S	96.4	Very high	95.2	Very high	62 Å²	62	54.3 Å²	54.3	43%	0.434	29%	0.292	S	S	.	.	H	α-helix	trans	-56.6	-28.5	179.9	49.2	0	0	0	0	114.9	S188 V192 F193 S194	S188-S190 PolarHBondContact O-N 2.98Å; S190-V192 VanDerWaalsContact C-N 3.31Å; S190-F193 WeakPolarHBondContact O-CB 3.34Å; S190-F193 PolarHBondContact O-N 3.08Å; S190-S194 PolarHBondContact O-N 3.38Å; S190-S194 PolarHBondContact O-OG 3.49Å
191	D	97.1	Very high	95.9	Very high	113 Å²	113	54 Å²	54	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-68.6	-36	178.3	-62.1	-17.8	0	0	0	110.6	N189 S194 K195	N189-D191 PolarHBondContact O-N 2.81Å; N189-D191 VanDerWaalsContact O-N 3.16Å; N189-D191 WeakPolarHBondContact OD1-CB 3.48Å; N189-D191 PolarHBondContact OD1-N 3.48Å; D191-S194 PolarHBondContact O-N 3.21Å; D191-K195 WeakPolarHBondContact O-CB 3.5Å; D191-K195 PolarHBondContact O-N 2.81Å
192	V	97.9	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-38.2	176.1	-165	0	0	0	0	110.5	D142 A146 F160 T187 N189 S190 S194 K195 Y196	D142-V192 VanDerWaalsContact C-CG2 3.44Å; A146-V192 HydrophobicContact CB-CG1 3.81Å; F160-V192 HydrophobicContact CE1-CG1 3.98Å; T187-V192 HydrophobicContact CG2-CB 3.93Å; T187-V192 HydrophobicContact CG2-CG1 3.87Å; N189-V192 HydrophobicContact CB-CG2 3.9Å; N189-V192 WeakPolarHBondContact O-CB 3.48Å; N189-V192 PolarHBondContact O-N 3.43Å; S190-V192 VanDerWaalsContact C-N 3.31Å; V192-S194 VanDerWaalsContact C-N 3.33Å; V192-S194 PolarHBondContact O-N 2.89Å; V192-K195 WeakPolarHBondContact O-CB 3.43Å; V192-K195 PolarHBondContact O-N 3.08Å; V192-Y196 HydrophobicContact CG1-CD2 4.14Å; V192-Y196 HydrophobicContact CG1-CE2 4.04Å; V192-Y196 WeakPolarHBondContact O-CD2 3.39Å; V192-Y196 PolarHBondContact O-N 3.11Å
193	F	98.2	Very high	96.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-48.3	171.6	-77.9	-122.8	0	0	0	110.7	F160 K162 T187 N189 S190 K195 Y196 Q197 L198	F160-F193 HydrophobicContact CB-CD1 4.1Å; F160-F193 HydrophobicContact CB-CD2 4.22Å; F160-F193 HydrophobicContact CB-CE1 3.73Å; F160-F193 HydrophobicContact CB-CE2 3.86Å; F160-F193 HydrophobicContact CB-CG 4.35Å; F160-F193 HydrophobicContact CB-CZ 3.62Å; F160-F193 AromaticContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CE2 4.17Å; F160-F193 HydrophobicContact CD1-CG 4.04Å; K162-F193 HydrophobicContact CD-CE1 3.95Å; K162-F193 HydrophobicContact CD-CE2 4.27Å; K162-F193 HydrophobicContact CD-CZ 3.71Å; K162-F193 VanDerWaalsContact CE-CE1 3.49Å; K162-F193 HydrophobicContact CG-CZ 4.38Å; K162-F193 VanDerWaalsContact NZ-CE1 3.3Å; K162-F193 VanDerWaalsContact NZ-CG 3.27Å; T187-F193 HydrophobicContact CG2-CD2 4.33Å; T187-F193 HydrophobicContact CG2-CE2 4.18Å; T187-F193 WeakPolarHBondContact O-CE2 3.37Å; N189-F193 WeakPolarHBondContact O-CD2 3.3Å; N189-F193 PolarHBondContact O-N 3.46Å; S190-F193 WeakPolarHBondContact O-CB 3.34Å; S190-F193 PolarHBondContact O-N 3.08Å; F193-K195 VanDerWaalsContact C-N 3.32Å; F193-K195 PolarHBondContact O-N 2.8Å; F193-Y196 CarbonylContact O-C 3.58Å; F193-Y196 PolarHBondContact O-N 3.36Å; F193-Q197 PolarHBondContact O-N 3.27Å; F193-Q197 VanDerWaalsContact O-N 3.08Å; F193-L198 HydrophobicContact CB-CB 4.44Å; F193-L198 HydrophobicContact CD1-CB 4.18Å; F193-L198 PolarHBondContact O-N 2.96Å
194	S	96.9	Very high	97	Very high	82 Å²	82	48.2 Å²	48.2	57%	0.573	26%	0.26	S	S	*	.	H	α-helix	trans	-63.6	-39.5	-178.3	-56.4	0	0	0	0	111.5	S190 D191 V192 Y196 Q197	S190-S194 PolarHBondContact O-N 3.38Å; S190-S194 PolarHBondContact O-OG 3.49Å; D191-S194 PolarHBondContact O-N 3.21Å; V192-S194 VanDerWaalsContact C-N 3.33Å; V192-S194 PolarHBondContact O-N 2.89Å; S194-Y196 VanDerWaalsContact C-N 3.26Å; S194-Y196 PolarHBondContact O-N 3.33Å; S194-Q197 PolarHBondContact O-N 3.11Å; S194-Q197 VanDerWaalsContact O-N 3.14Å
195	K	96.8	Very high	97.1	Very high	71 Å²	71	47.8 Å²	47.8	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-57.4	-36.6	176	-176.6	170.2	-170.6	156.3	0	113.3	G143 E147 D191 V192 F193 Q197	G143-K195 PolarHBondContact O-NZ 2.81Å; E147-K195 VanDerWaalsContact CD-CE 3.49Å; E147-K195 WeakPolarHBondContact OE1-CE 3.38Å; E147-K195 IonicContact OE1-NZ 2.89Å; E147-K195 PolarHBondContact OE1-NZ 2.74Å; E147-K195 IonicContact OE2-NZ 2.75Å; E147-K195 PolarHBondContact OE2-NZ 3.3Å; D191-K195 WeakPolarHBondContact O-CB 3.5Å; D191-K195 PolarHBondContact O-N 2.81Å; V192-K195 WeakPolarHBondContact O-CB 3.43Å; V192-K195 PolarHBondContact O-N 3.08Å; F193-K195 VanDerWaalsContact C-N 3.32Å; F193-K195 PolarHBondContact O-N 2.8Å; K195-Q197 PolarHBondContact O-NE2 3.07Å
196	Y	96.7	Very high	97.1	Very high	24 Å²	24	48.5 Å²	48.5	9%	0.094	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	21.5	178.5	-61.8	-71.1	0	0	0	113.2	A146 F160 V192 F193 S194 L198 F206 R213	A146-Y196 HydrophobicContact CB-CE2 3.82Å; F160-Y196 AromaticContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CG 4.39Å; F160-Y196 AromaticContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CE2 4.29Å; F160-Y196 AromaticContact CZ-CG 3.97Å; F160-Y196 HydrophobicContact CZ-CG 3.97Å; V192-Y196 HydrophobicContact CG1-CD2 4.14Å; V192-Y196 HydrophobicContact CG1-CE2 4.04Å; V192-Y196 WeakPolarHBondContact O-CD2 3.39Å; V192-Y196 PolarHBondContact O-N 3.11Å; F193-Y196 CarbonylContact O-C 3.58Å; F193-Y196 PolarHBondContact O-N 3.36Å; S194-Y196 VanDerWaalsContact C-N 3.26Å; S194-Y196 PolarHBondContact O-N 3.33Å; Y196-L198 VanDerWaalsContact C-N 3.29Å; Y196-L198 PolarHBondContact O-N 3.24Å; Y196-F206 AromaticContact CD1-CE1 3.37Å; Y196-F206 HydrophobicContact CD1-CE1 3.37Å; Y196-F206 AromaticContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD2-CZ 4.26Å; Y196-F206 HydrophobicContact CE1-CD1 4.31Å; Y196-F206 AromaticContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE2 4.46Å; Y196-F206 AromaticContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE1-CZ 3.41Å; Y196-F206 VanDerWaalsContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE2-CZ 4.33Å; Y196-F206 HydrophobicContact CG-CE1 4.25Å; Y196-F206 AromaticContact CG-CZ 3.77Å; Y196-F206 HydrophobicContact CG-CZ 3.77Å; Y196-F206 AromaticContact CZ-CZ 3.92Å; Y196-R213 VanDerWaalsContact O-CZ 3.27Å; Y196-R213 PolarHBondContact O-NH1 3.43Å; Y196-R213 VanDerWaalsContact O-NH1 3.07Å; Y196-R213 PolarHBondContact O-NH2 3.28Å
197	Q	96.6	Very high	96.9	Very high	139 Å²	139	48.6 Å²	48.6	65%	0.65	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	40.1	173.8	-56.7	73.8	46.6	0	0	113.4	F193 S194 K195	F193-Q197 PolarHBondContact O-N 3.27Å; F193-Q197 VanDerWaalsContact O-N 3.08Å; S194-Q197 PolarHBondContact O-N 3.11Å; S194-Q197 VanDerWaalsContact O-N 3.14Å; K195-Q197 PolarHBondContact O-NE2 3.07Å
198	L	95.9	Very high	96.8	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	28%	0.283	C	S	.	.			trans	-103.3	135.1	169.4	-69.8	-165.4	0	0	0	111.6	F160 F193 Y196 V204	F160-L198 HydrophobicContact CB-CD1 3.73Å; F160-L198 HydrophobicContact CD1-CD1 4.22Å; F160-L198 HydrophobicContact CD2-CD1 3.53Å; F160-L198 HydrophobicContact CE2-CD1 4.15Å; F160-L198 HydrophobicContact CG-CD1 3.58Å; F193-L198 HydrophobicContact CB-CB 4.44Å; F193-L198 HydrophobicContact CD1-CB 4.18Å; F193-L198 PolarHBondContact O-N 2.96Å; Y196-L198 VanDerWaalsContact C-N 3.29Å; Y196-L198 PolarHBondContact O-N 3.24Å; L198-V204 HydrophobicContact CD1-CG2 4.06Å; L198-V204 HydrophobicContact CG-CG2 4.47Å
199	D	89.1	Confident	96.4	Very high	144 Å²	144	52 Å²	52	77%	0.77	27%	0.267	S	S	*	.	S	Bend	trans	-103.6	-16.7	176.8	62.3	-11.1	0	0	0	113.3
200	K	94.6	Very high	96.1	Very high	144 Å²	144	52.5 Å²	52.5	63%	0.626	27%	0.27	S	S	*	.	S	Bend	trans	-141.1	178.5	-179.7	66.8	-169.5	169.1	68.7	0	111.2
201	D	97.8	Very high	95.8	Very high	56 Å²	56	54.7 Å²	54.7	30%	0.299	27%	0.273	S	S	.	.	S	Bend	trans	-60.5	143.2	175	-72.1	4.2	0	0	0	111.3	F160 F161 K162	F160-D201 CarbonylContact O-C 3.58Å; F160-D201 WeakPolarHBondContact O-CA 3.43Å; F160-D201 WeakPolarHBondContact O-CB 3.46Å; F161-D201 WeakPolarHBondContact CA-OD1 3.43Å; F161-D201 HydrophobicContact CD1-CB 3.94Å; F161-D201 HydrophobicContact CE1-CB 4.41Å; K162-D201 WeakPolarHBondContact CG-OD1 3.31Å; K162-D201 PolarHBondContact N-OD1 3.01Å
202	G	97.5	Very high	95.7	Very high	10 Å²	10	50.6 Å²	50.6	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	175.6	-175.8	0	0	0	0	0	113.5	F160	F160-G202 PolarHBondContact N-O 3.04Å; F160-G202 PolarHBondContact O-N 2.98Å
203	V	98.7	Very high	95.7	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.5	179.1	179.9	0	0	0	0	108.7	V157 I158 F161 F172 F216 L225	V157-V203 HydrophobicContact CG1-CG1 3.56Å; I158-V203 WeakPolarHBondContact O-CA 3.36Å; F161-V203 HydrophobicContact CE2-CG2 4.37Å; F161-V203 HydrophobicContact CZ-CG2 3.94Å; F172-V203 HydrophobicContact CD2-CG1 4.13Å; F172-V203 HydrophobicContact CD2-CG2 3.67Å; F172-V203 HydrophobicContact CE2-CG1 3.89Å; F172-V203 HydrophobicContact CE2-CG2 4.15Å; F172-V203 HydrophobicContact CG-CG2 4.47Å; V203-F216 HydrophobicContact CB-CB 3.91Å; V203-F216 HydrophobicContact CB-CG 4.5Å; V203-F216 VanDerWaalsContact O-CB 3.3Å; V203-F216 WeakPolarHBondContact O-CB 3.34Å; V203-F216 PolarHBondContact O-N 2.84Å; V203-L225 HydrophobicContact CB-CD2 4Å; V203-L225 HydrophobicContact CG1-CD2 4.11Å; V203-L225 HydrophobicContact CG2-CD1 4.5Å; V203-L225 HydrophobicContact CG2-CD2 3.82Å
204	V	98.6	Very high	95.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.8	177.3	-174.1	0	0	0	0	109.1	V157 I158 F160 L198 F206 R213	V157-V204 WeakPolarHBondContact CA-O 3.34Å; I158-V204 PolarHBondContact N-O 2.66Å; I158-V204 PolarHBondContact O-N 3.39Å; F160-V204 HydrophobicContact CD2-CG2 4.15Å; F160-V204 HydrophobicContact CE2-CB 3.95Å; F160-V204 HydrophobicContact CE2-CG2 3.67Å; L198-V204 HydrophobicContact CD1-CG2 4.06Å; L198-V204 HydrophobicContact CG-CG2 4.47Å; V204-F206 HydrophobicContact CB-CE2 3.82Å; V204-F206 HydrophobicContact CB-CZ 3.93Å; V204-F206 HydrophobicContact CG1-CD1 4.39Å; V204-F206 HydrophobicContact CG1-CD2 4.22Å; V204-F206 HydrophobicContact CG1-CE1 3.85Å; V204-F206 HydrophobicContact CG1-CE2 3.67Å; V204-F206 HydrophobicContact CG1-CZ 3.47Å; V204-F206 VanDerWaalsContact CG1-CZ 3.47Å; V204-R213 HydrophobicContact CG1-CG 3.64Å
205	L	98.4	Very high	95.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.3	168.1	-178.7	153.5	0	0	0	108.4	V155 V157 K207 R213 N214 F228 I229 N232	V155-L205 HydrophobicContact CG1-CD1 4.04Å; V155-L205 HydrophobicContact CG1-CD2 4.06Å; V155-L205 HydrophobicContact CG1-CG 3.93Å; V157-L205 HydrophobicContact CG2-CB 4.26Å; V157-L205 HydrophobicContact CG2-CD1 4.16Å; V157-L205 HydrophobicContact CG2-CG 4.14Å; L205-K207 HydrophobicContact CD2-CB 4.04Å; L205-K207 HydrophobicContact CD2-CD 3.8Å; L205-K207 HydrophobicContact CD2-CG 4.11Å; L205-R213 CarbonylContact O-C 3.54Å; L205-R213 VanDerWaalsContact O-CA 3.32Å; L205-R213 WeakPolarHBondContact O-CA 3.4Å; L205-N214 PolarHBondContact N-O 2.96Å; L205-N214 PolarHBondContact O-N 3.45Å; L205-F228 HydrophobicContact CB-CE1 3.78Å; L205-F228 HydrophobicContact CB-CZ 3.83Å; L205-I229 HydrophobicContact CD1-CB 4.48Å; L205-I229 HydrophobicContact CD1-CG1 4.38Å; L205-I229 HydrophobicContact CD1-CG2 4.26Å; L205-N232 HydrophobicContact CD1-CB 4.15Å; L205-N232 HydrophobicContact CD2-CB 4.46Å
206	F	98.3	Very high	95.7	Very high	14 Å²	14	52.1 Å²	52.1	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.9	173.1	-59.7	-85.8	0	0	0	109.1	V150 V155 A156 I158 Y196 V204 R213	V150-F206 HydrophobicContact CB-CB 4.36Å; V150-F206 HydrophobicContact CB-CG 4.49Å; V150-F206 HydrophobicContact CG1-CB 3.57Å; V150-F206 HydrophobicContact CG1-CD1 4.33Å; V150-F206 HydrophobicContact CG1-CG 3.98Å; V150-F206 HydrophobicContact CG2-CB 3.88Å; V150-F206 HydrophobicContact CG2-CD1 4.23Å; V150-F206 HydrophobicContact CG2-CD2 3.56Å; V150-F206 HydrophobicContact CG2-CE2 4.15Å; V150-F206 HydrophobicContact CG2-CG 3.61Å; V155-F206 CarbonylContact C-O 3.57Å; V155-F206 VanDerWaalsContact CA-O 3.3Å; V155-F206 WeakPolarHBondContact CA-O 3.48Å; A156-F206 PolarHBondContact N-O 3.02Å; A156-F206 PolarHBondContact O-N 2.69Å; I158-F206 HydrophobicContact CB-CE2 4.06Å; I158-F206 HydrophobicContact CD1-CD2 4.22Å; I158-F206 HydrophobicContact CD1-CE2 3.77Å; I158-F206 HydrophobicContact CG1-CD2 4.24Å; I158-F206 HydrophobicContact CG1-CE2 3.94Å; Y196-F206 AromaticContact CD1-CE1 3.37Å; Y196-F206 HydrophobicContact CD1-CE1 3.37Å; Y196-F206 AromaticContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD2-CZ 4.26Å; Y196-F206 HydrophobicContact CE1-CD1 4.31Å; Y196-F206 AromaticContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE2 4.46Å; Y196-F206 AromaticContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE1-CZ 3.41Å; Y196-F206 VanDerWaalsContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE2-CZ 4.33Å; Y196-F206 HydrophobicContact CG-CE1 4.25Å; Y196-F206 AromaticContact CG-CZ 3.77Å; Y196-F206 HydrophobicContact CG-CZ 3.77Å; Y196-F206 AromaticContact CZ-CZ 3.92Å; V204-F206 HydrophobicContact CB-CE2 3.82Å; V204-F206 HydrophobicContact CB-CZ 3.93Å; V204-F206 HydrophobicContact CG1-CD1 4.39Å; V204-F206 HydrophobicContact CG1-CD2 4.22Å; V204-F206 HydrophobicContact CG1-CE1 3.85Å; V204-F206 HydrophobicContact CG1-CE2 3.67Å; V204-F206 HydrophobicContact CG1-CZ 3.47Å; V204-F206 VanDerWaalsContact CG1-CZ 3.47Å; F206-R213 HydrophobicContact CE1-CG 4.43Å
207	K	96.2	Very high	95.6	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152	-177.1	58	-169.1	-162.3	-179	0	110.9	E154 V155 L205 F209 E211 G212 N214	E154-K207 CarbonylContact O-C 3.51Å; E154-K207 WeakPolarHBondContact O-CA 3.41Å; V155-K207 HydrophobicContact CG2-CB 4.15Å; L205-K207 HydrophobicContact CD2-CB 4.04Å; L205-K207 HydrophobicContact CD2-CD 3.8Å; L205-K207 HydrophobicContact CD2-CG 4.11Å; K207-F209 VanDerWaalsContact C-N 3.29Å; K207-F209 HydrophobicContact CB-CD1 4.41Å; K207-F209 HydrophobicContact CB-CD2 4.4Å; K207-F209 HydrophobicContact CB-CE1 4.04Å; K207-F209 HydrophobicContact CB-CE2 4.07Å; K207-F209 HydrophobicContact CB-CZ 3.85Å; K207-F209 HydrophobicContact CD-CD2 3.93Å; K207-F209 HydrophobicContact CD-CE2 3.51Å; K207-F209 HydrophobicContact CD-CZ 4.06Å; K207-F209 WeakPolarHBondContact CE-O 3.49Å; K207-F209 HydrophobicContact CG-CD2 4.27Å; K207-F209 HydrophobicContact CG-CE2 4.12Å; K207-F209 HydrophobicContact CG-CZ 4.41Å; K207-F209 PolarHBondContact O-N 2.83Å; K207-E211 VanDerWaalsContact CE-OE2 3.31Å; K207-E211 WeakPolarHBondContact CE-OE2 3.47Å; K207-E211 IonicContact NZ-OE2 3.15Å; K207-E211 PolarHBondContact NZ-OE2 2.99Å; K207-G212 PolarHBondContact N-O 2.98Å; K207-G212 CarbonylContact O-C 3.43Å; K207-G212 WeakPolarHBondContact O-CA 3.42Å; K207-G212 VanDerWaalsContact O-O 3.06Å; K207-N214 WeakPolarHBondContact CE-OD1 3.2Å; K207-N214 PolarHBondContact NZ-OD1 2.88Å
208	K	95	Very high	95.5	Very high	109 Å²	109	55.8 Å²	55.8	47%	0.474	29%	0.294	S	S	.	.	S	Bend	trans	-88.6	10	-179.2	-61.7	-169.5	-179.3	-174.3	0	114.3	E151 S153 E154	E151-K208 PolarHBondContact O-NZ 3.13Å; E151-K208 IonicContact OE1-NZ 2.7Å; E151-K208 PolarHBondContact OE1-NZ 2.8Å; S153-K208 VanDerWaalsContact O-CE 3.28Å; S153-K208 WeakPolarHBondContact O-CE 3.26Å; E154-K208 HydrophobicContact CG-CB 4.24Å; E154-K208 PolarHBondContact O-N 3.25Å
209	F	91.1	Very high	95.6	Very high	30 Å²	30	61.3 Å²	61.3	13%	0.132	32%	0.318	C	S	.	.	S	Bend	trans	-132.2	166.6	-178.4	51	-100.5	0	0	0	111.7	E154 V155 K207 E211 G212 Q233 L234 P235	E154-F209 HydrophobicContact CG-CD1 4.06Å; E154-F209 HydrophobicContact CG-CE1 4.05Å; V155-F209 HydrophobicContact CG2-CE1 3.77Å; V155-F209 HydrophobicContact CG2-CZ 3.8Å; K207-F209 VanDerWaalsContact C-N 3.29Å; K207-F209 HydrophobicContact CB-CD1 4.41Å; K207-F209 HydrophobicContact CB-CD2 4.4Å; K207-F209 HydrophobicContact CB-CE1 4.04Å; K207-F209 HydrophobicContact CB-CE2 4.07Å; K207-F209 HydrophobicContact CB-CZ 3.85Å; K207-F209 HydrophobicContact CD-CD2 3.93Å; K207-F209 HydrophobicContact CD-CE2 3.51Å; K207-F209 HydrophobicContact CD-CZ 4.06Å; K207-F209 WeakPolarHBondContact CE-O 3.49Å; K207-F209 HydrophobicContact CG-CD2 4.27Å; K207-F209 HydrophobicContact CG-CE2 4.12Å; K207-F209 HydrophobicContact CG-CZ 4.41Å; K207-F209 PolarHBondContact O-N 2.83Å; F209-E211 PolarHBondContact O-N 2.78Å; F209-G212 PolarHBondContact O-N 2.89Å; F209-Q233 WeakPolarHBondContact CZ-O 3.44Å; F209-L234 VanDerWaalsContact CE2-C 3.44Å; F209-P235 HydrophobicContact CB-CB 4.31Å; F209-P235 HydrophobicContact CD1-CB 4.35Å; F209-P235 VanDerWaalsContact CD2-CA 3.43Å; F209-P235 HydrophobicContact CD2-CB 3.62Å; F209-P235 HydrophobicContact CE2-CB 3.93Å; F209-P235 VanDerWaalsContact CE2-N 3.28Å; F209-P235 HydrophobicContact CG-CB 3.84Å; F209-P235 HydrophobicContact CZ-CB 4.46Å
210	D	89.7	Confident	96	Very high	56 Å²	56	55.5 Å²	55.5	30%	0.299	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-125.1	179.4	-58.3	-41	0	0	0	113.9	G212 P235 L236 K276	D210-G212 PolarHBondContact O-N 2.81Å; D210-P235 WeakPolarHBondContact OD2-CA 3.38Å; D210-L236 PolarHBondContact OD2-N 2.78Å; D210-K276 WeakPolarHBondContact OD1-CE 3.5Å; D210-K276 IonicContact OD1-NZ 2.67Å; D210-K276 PolarHBondContact OD1-NZ 2.97Å
211	E	91.2	Very high	96.1	Very high	108 Å²	108	49.6 Å²	49.6	51%	0.505	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-5.1	-176.9	-45.3	87.9	170.9	0	0	112.7	K207 F209 R213 K283	K207-E211 VanDerWaalsContact CE-OE2 3.31Å; K207-E211 WeakPolarHBondContact CE-OE2 3.47Å; K207-E211 IonicContact NZ-OE2 3.15Å; K207-E211 PolarHBondContact NZ-OE2 2.99Å; F209-E211 PolarHBondContact O-N 2.78Å; E211-R213 PolarHBondContact O-N 3.29Å; E211-K283 IonicContact OE1-NZ 3.82Å; E211-K283 PolarHBondContact OE1-NZ 3.35Å; E211-K283 IonicContact OE2-NZ 2.76Å
212	G	95.3	Very high	96.1	Very high	28 Å²	28	50.4 Å²	50.4	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	72.1	-16.3	179.1	0	0	0	0	0	115.4	K207 F209 D210	K207-G212 PolarHBondContact N-O 2.98Å; K207-G212 CarbonylContact O-C 3.43Å; K207-G212 WeakPolarHBondContact O-CA 3.42Å; K207-G212 VanDerWaalsContact O-O 3.06Å; F209-G212 PolarHBondContact O-N 2.89Å; D210-G212 PolarHBondContact O-N 2.81Å
213	R	96.7	Very high	96	Very high	59 Å²	59	55.2 Å²	55.2	22%	0.223	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	141.5	-173.8	176.5	-177.8	170.3	174.2	2	111.6	Y196 V204 L205 F206 E211 N215	Y196-R213 VanDerWaalsContact O-CZ 3.27Å; Y196-R213 PolarHBondContact O-NH1 3.43Å; Y196-R213 VanDerWaalsContact O-NH1 3.07Å; Y196-R213 PolarHBondContact O-NH2 3.28Å; V204-R213 HydrophobicContact CG1-CG 3.64Å; L205-R213 CarbonylContact O-C 3.54Å; L205-R213 VanDerWaalsContact O-CA 3.32Å; L205-R213 WeakPolarHBondContact O-CA 3.4Å; F206-R213 HydrophobicContact CE1-CG 4.43Å; E211-R213 PolarHBondContact O-N 3.29Å; R213-N215 PolarHBondContact NE-OD1 2.69Å; R213-N215 PolarHBondContact NH2-ND2 2.94Å; R213-N215 PolarHBondContact NH2-OD1 3.41Å
214	N	96.8	Very high	95.9	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.9	166.3	-63.7	97.7	0	0	0	109.6	L205 K207 F228 N232	L205-N214 PolarHBondContact N-O 2.96Å; L205-N214 PolarHBondContact O-N 3.45Å; K207-N214 WeakPolarHBondContact CE-OD1 3.2Å; K207-N214 PolarHBondContact NZ-OD1 2.88Å; N214-F228 HydrophobicContact CB-CE2 3.92Å; N214-F228 HydrophobicContact CB-CZ 3.9Å; N214-F228 WeakPolarHBondContact O-CZ 3.47Å; N214-N232 HydrophobicContact CB-CB 4.24Å; N214-N232 VanDerWaalsContact CG-OD1 3.31Å; N214-N232 PolarHBondContact ND2-OD1 3Å
215	N	97.5	Very high	95.9	Very high	73 Å²	73	58.1 Å²	58.1	39%	0.39	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.7	172	-70	-14.6	0	0	0	109.1	R213	R213-N215 PolarHBondContact NE-OD1 2.69Å; R213-N215 PolarHBondContact NH2-ND2 2.94Å; R213-N215 PolarHBondContact NH2-OD1 3.41Å
216	F	97.8	Very high	95.7	Very high	28 Å²	28	60.4 Å²	60.4	12%	0.123	31%	0.312	C	S	.	.			trans	-71.8	133.7	170	179.5	-102.7	0	0	0	110.1	V203 E219 V220 N224 L225 F228	V203-F216 HydrophobicContact CB-CB 3.91Å; V203-F216 HydrophobicContact CB-CG 4.5Å; V203-F216 VanDerWaalsContact O-CB 3.3Å; V203-F216 WeakPolarHBondContact O-CB 3.34Å; V203-F216 PolarHBondContact O-N 2.84Å; F216-E219 VanDerWaalsContact CZ-O 3.29Å; F216-E219 WeakPolarHBondContact CZ-O 3.48Å; F216-V220 HydrophobicContact CD1-CG2 4.18Å; F216-V220 HydrophobicContact CE1-CG2 3.9Å; F216-N224 HydrophobicContact CE2-CB 4.06Å; F216-N224 HydrophobicContact CZ-CB 3.84Å; F216-L225 HydrophobicContact CD1-CD2 4.11Å; F216-L225 HydrophobicContact CD2-CD2 3.85Å; F216-L225 HydrophobicContact CE1-CD2 4.24Å; F216-L225 HydrophobicContact CE2-CD2 3.98Å; F216-L225 HydrophobicContact CG-CD2 3.9Å; F216-L225 HydrophobicContact CZ-CD2 4.18Å; F216-F228 HydrophobicContact CB-CD1 4.23Å; F216-F228 HydrophobicContact CB-CE1 4.1Å; F216-F228 HydrophobicContact CB-CE2 4.44Å; F216-F228 HydrophobicContact CB-CG 4.48Å; F216-F228 HydrophobicContact CB-CZ 4.21Å; F216-F228 HydrophobicContact CD2-CB 3.68Å; F216-F228 AromaticContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD2 4.02Å; F216-F228 AromaticContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CE2-CB 3.97Å; F216-F228 HydrophobicContact CE2-CG 4.38Å
217	E	95.2	Very high	95.4	Very high	174 Å²	174	63.7 Å²	63.7	81%	0.813	33%	0.331	S	S	*	.			trans	-124.4	137.3	173.8	-62.5	-171	166	0	0	109.2
218	G	94.8	Very high	95.3	Very high	66 Å²	66	64.3 Å²	64.3	68%	0.68	33%	0.333	S	S	*	.	S	Bend	trans	116.4	-164.9	-178.9	0	0	0	0	0	113.6
219	E	96.7	Very high	95.3	Very high	146 Å²	146	59.2 Å²	59.2	68%	0.682	31%	0.311	S	S	*	.			trans	-79.9	130.6	179.3	-172.7	177.9	169.6	0	0	111	F216 T221 N224	F216-E219 VanDerWaalsContact CZ-O 3.29Å; F216-E219 WeakPolarHBondContact CZ-O 3.48Å; E219-T221 HydrophobicContact CG-CG2 4.06Å; E219-T221 PolarHBondContact O-N 3.29Å; E219-N224 PolarHBondContact O-ND2 2.98Å
220	V	97.9	Very high	95.1	Very high	22 Å²	22	61.5 Å²	61.5	13%	0.133	32%	0.321	C	S	.	.			trans	-80.4	90.7	-177.4	-175.3	0	0	0	0	110.1	F161 F216 L225	F161-V220 HydrophobicContact CE1-CG1 4.36Å; F161-V220 HydrophobicContact CZ-CG1 4.14Å; F216-V220 HydrophobicContact CD1-CG2 4.18Å; F216-V220 HydrophobicContact CE1-CG2 3.9Å; V220-L225 HydrophobicContact CG1-CD1 3.9Å; V220-L225 HydrophobicContact CG1-CG 4.39Å
221	T	98	Very high	94.9	Very high	21 Å²	21	63.7 Å²	63.7	13%	0.129	33%	0.329	C	S	.	.			trans	-119	159.1	170	70.7	0	0	0	0	110.4	E219 E223 N224 L225	E219-T221 HydrophobicContact CG-CG2 4.06Å; E219-T221 PolarHBondContact O-N 3.29Å; T221-E223 VanDerWaalsContact C-N 3.27Å; T221-E223 PolarHBondContact O-N 3.49Å; T221-N224 PolarHBondContact O-N 3.27Å; T221-N224 WeakPolarHBondContact OG1-CB 3.43Å; T221-N224 VanDerWaalsContact OG1-CG 3.23Å; T221-N224 PolarHBondContact OG1-N 3.49Å; T221-N224 PolarHBondContact OG1-ND2 2.96Å; T221-L225 WeakPolarHBondContact O-CB 3.42Å; T221-L225 VanDerWaalsContact O-CG 3.26Å; T221-L225 WeakPolarHBondContact O-CG 3.49Å; T221-L225 PolarHBondContact O-N 3.26Å; T221-L225 VanDerWaalsContact O-N 3.09Å
222	K	96.4	Very high	94.8	Very high	72 Å²	72	59.9 Å²	59.9	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-52	-47.9	175.2	-179.9	-170.7	177.8	-175.1	0	111.2	Q174 A175 L225 L226	Q174-K222 HydrophobicContact CB-CB 4.44Å; Q174-K222 HydrophobicContact CB-CD 4.18Å; Q174-K222 HydrophobicContact CB-CG 4.28Å; A175-K222 HydrophobicContact CB-CG 4.39Å; K222-L225 PolarHBondContact O-N 3.28Å; K222-L226 HydrophobicContact CG-CD1 4.11Å; K222-L226 HydrophobicContact CG-CG 4.47Å; K222-L226 VanDerWaalsContact O-CG 3.29Å; K222-L226 WeakPolarHBondContact O-CG 3.5Å; K222-L226 PolarHBondContact O-N 2.86Å
223	E	95.9	Very high	94.5	Very high	111 Å²	111	60.2 Å²	60.2	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-51.2	-175.6	-61.7	70	-150.3	0	0	111.2	T221 L225 L226 D227	T221-E223 VanDerWaalsContact C-N 3.27Å; T221-E223 PolarHBondContact O-N 3.49Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 3.39Å; E223-L226 PolarHBondContact O-N 3.02Å; E223-L226 VanDerWaalsContact O-N 3.17Å; E223-D227 PolarHBondContact O-N 3.4Å
224	N	97.1	Very high	94	Very high	64 Å²	64	59.2 Å²	59.2	34%	0.342	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-35.3	-179.3	-66.5	-16.5	0	0	0	111.9	F216 E219 T221 F228	F216-N224 HydrophobicContact CE2-CB 4.06Å; F216-N224 HydrophobicContact CZ-CB 3.84Å; E219-N224 PolarHBondContact O-ND2 2.98Å; T221-N224 PolarHBondContact O-N 3.27Å; T221-N224 WeakPolarHBondContact OG1-CB 3.43Å; T221-N224 VanDerWaalsContact OG1-CG 3.23Å; T221-N224 PolarHBondContact OG1-N 3.49Å; T221-N224 PolarHBondContact OG1-ND2 2.96Å; N224-F228 WeakPolarHBondContact O-CB 3.21Å; N224-F228 PolarHBondContact O-N 2.85Å
225	L	98	Very high	93.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.9	-41.6	176.8	-70.7	177.6	0	0	0	112.1	F172 A175 V203 F216 V220 T221 K222 E223 D227 F228 I229	F172-L225 HydrophobicContact CB-CD1 3.99Å; F172-L225 HydrophobicContact CD2-CD1 4.03Å; A175-L225 HydrophobicContact CB-CB 3.89Å; A175-L225 HydrophobicContact CB-CD1 4.08Å; V203-L225 HydrophobicContact CB-CD2 4Å; V203-L225 HydrophobicContact CG1-CD2 4.11Å; V203-L225 HydrophobicContact CG2-CD1 4.5Å; V203-L225 HydrophobicContact CG2-CD2 3.82Å; F216-L225 HydrophobicContact CD1-CD2 4.11Å; F216-L225 HydrophobicContact CD2-CD2 3.85Å; F216-L225 HydrophobicContact CE1-CD2 4.24Å; F216-L225 HydrophobicContact CE2-CD2 3.98Å; F216-L225 HydrophobicContact CG-CD2 3.9Å; F216-L225 HydrophobicContact CZ-CD2 4.18Å; V220-L225 HydrophobicContact CG1-CD1 3.9Å; V220-L225 HydrophobicContact CG1-CG 4.39Å; T221-L225 WeakPolarHBondContact O-CB 3.42Å; T221-L225 VanDerWaalsContact O-CG 3.26Å; T221-L225 WeakPolarHBondContact O-CG 3.49Å; T221-L225 PolarHBondContact O-N 3.26Å; T221-L225 VanDerWaalsContact O-N 3.09Å; K222-L225 PolarHBondContact O-N 3.28Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 3.39Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-F228 PolarHBondContact O-N 3.48Å; L225-I229 WeakPolarHBondContact O-CB 3.48Å; L225-I229 WeakPolarHBondContact O-CD1 3.44Å; L225-I229 WeakPolarHBondContact O-CG1 3.5Å; L225-I229 PolarHBondContact O-N 2.97Å
226	L	94.3	Very high	93.5	Very high	48 Å²	48	57.1 Å²	57.1	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-44.8	175.3	-71.5	179.7	0	0	0	111	A175 A178 I179 K222 E223 I229 K230	A175-L226 HydrophobicContact CB-CD2 4.26Å; A175-L226 HydrophobicContact CB-CG 4.4Å; A178-L226 HydrophobicContact CB-CD1 4.36Å; A178-L226 HydrophobicContact CB-CD2 4.11Å; I179-L226 HydrophobicContact CD1-CD2 3.46Å; I179-L226 VanDerWaalsContact CD1-CD2 3.46Å; I179-L226 HydrophobicContact CG1-CD2 3.72Å; K222-L226 HydrophobicContact CG-CD1 4.11Å; K222-L226 HydrophobicContact CG-CG 4.47Å; K222-L226 VanDerWaalsContact O-CG 3.29Å; K222-L226 WeakPolarHBondContact O-CG 3.5Å; K222-L226 PolarHBondContact O-N 2.86Å; E223-L226 PolarHBondContact O-N 3.02Å; E223-L226 VanDerWaalsContact O-N 3.17Å; L226-I229 PolarHBondContact O-N 3.36Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 2.88Å
227	D	91.3	Very high	93.4	Very high	84 Å²	84	56.7 Å²	56.7	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-46.1	176.6	-72.4	-12.5	0	0	0	111.5	E223 L225 I229 K230 H231	E223-D227 PolarHBondContact O-N 3.4Å; L225-D227 VanDerWaalsContact C-N 3.34Å; D227-I229 PolarHBondContact O-N 2.87Å; D227-K230 PolarHBondContact O-N 3.42Å; D227-H231 WeakPolarHBondContact O-CB 3.25Å; D227-H231 PolarHBondContact O-N 2.85Å
228	F	95	Very high	93.3	Very high	25 Å²	25	48.4 Å²	48.4	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-47.6	176	164.1	-107.4	0	0	0	112.2	L205 N214 F216 N224 L225 H231 N232	L205-F228 HydrophobicContact CB-CE1 3.78Å; L205-F228 HydrophobicContact CB-CZ 3.83Å; N214-F228 HydrophobicContact CB-CE2 3.92Å; N214-F228 HydrophobicContact CB-CZ 3.9Å; N214-F228 WeakPolarHBondContact O-CZ 3.47Å; F216-F228 HydrophobicContact CB-CD1 4.23Å; F216-F228 HydrophobicContact CB-CE1 4.1Å; F216-F228 HydrophobicContact CB-CE2 4.44Å; F216-F228 HydrophobicContact CB-CG 4.48Å; F216-F228 HydrophobicContact CB-CZ 4.21Å; F216-F228 HydrophobicContact CD2-CB 3.68Å; F216-F228 AromaticContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD2 4.02Å; F216-F228 AromaticContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CE2-CB 3.97Å; F216-F228 HydrophobicContact CE2-CG 4.38Å; N224-F228 WeakPolarHBondContact O-CB 3.21Å; N224-F228 PolarHBondContact O-N 2.85Å; L225-F228 PolarHBondContact O-N 3.48Å; F228-H231 PolarHBondContact O-N 3.16Å; F228-N232 WeakPolarHBondContact CD2-ND2 3.41Å; F228-N232 WeakPolarHBondContact O-CB 3.37Å; F228-N232 PolarHBondContact O-N 3.15Å; F228-N232 PolarHBondContact O-ND2 3.38Å
229	I	94.3	Very high	93.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-47.7	179.9	-66.9	162.4	0	0	0	109.3	V157 I179 I182 F184 L205 L225 L226 D227 H231 N232 Q233	V157-I229 HydrophobicContact CG1-CD1 4.43Å; V157-I229 HydrophobicContact CG2-CD1 4.16Å; V157-I229 HydrophobicContact CG2-CG1 4.13Å; I179-I229 HydrophobicContact CD1-CB 4.22Å; I179-I229 HydrophobicContact CD1-CD1 3.72Å; I179-I229 HydrophobicContact CD1-CG2 3.9Å; I182-I229 HydrophobicContact CD1-CG2 3.53Å; F184-I229 HydrophobicContact CE1-CD1 3.78Å; F184-I229 HydrophobicContact CZ-CD1 3.7Å; L205-I229 HydrophobicContact CD1-CB 4.48Å; L205-I229 HydrophobicContact CD1-CG1 4.38Å; L205-I229 HydrophobicContact CD1-CG2 4.26Å; L225-I229 WeakPolarHBondContact O-CB 3.48Å; L225-I229 WeakPolarHBondContact O-CD1 3.44Å; L225-I229 WeakPolarHBondContact O-CG1 3.5Å; L225-I229 PolarHBondContact O-N 2.97Å; L226-I229 PolarHBondContact O-N 3.36Å; D227-I229 PolarHBondContact O-N 2.87Å; I229-H231 PolarHBondContact O-N 2.85Å; I229-N232 PolarHBondContact O-N 3.42Å; I229-N232 VanDerWaalsContact O-N 3.07Å; I229-Q233 HydrophobicContact CG2-CB 4.35Å; I229-Q233 WeakPolarHBondContact O-CB 3.28Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.37Å; I229-Q233 PolarHBondContact O-N 2.85Å
230	K	86.9	Confident	93.2	Very high	77 Å²	77	42.7 Å²	42.7	34%	0.335	21%	0.212	S	C	.	.	H	α-helix	trans	-54.5	-41.4	178.5	-175.5	-176.6	176.8	-169.3	0	112.1	L226 D227 E252	L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 2.88Å; D227-K230 PolarHBondContact O-N 3.42Å; K230-E252 IonicContact NZ-OE1 3.6Å; K230-E252 PolarHBondContact NZ-OE1 2.96Å
231	H	84.9	Confident	92.9	Very high	103 Å²	103	43.9 Å²	43.9	48%	0.477	22%	0.219	S	C	.	.	H	α-helix	trans	-74	-25.2	179.8	-113.6	81.9	0	0	0	114.7	D227 F228 I229	D227-H231 WeakPolarHBondContact O-CB 3.25Å; D227-H231 PolarHBondContact O-N 2.85Å; F228-H231 PolarHBondContact O-N 3.16Å; I229-H231 PolarHBondContact O-N 2.85Å
232	N	90.2	Very high	92.1	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-114.7	-9.3	-171.1	-68.2	-80.2	0	0	0	114.3	L205 N214 F228 I229 L234	L205-N232 HydrophobicContact CD1-CB 4.15Å; L205-N232 HydrophobicContact CD2-CB 4.46Å; N214-N232 HydrophobicContact CB-CB 4.24Å; N214-N232 VanDerWaalsContact CG-OD1 3.31Å; N214-N232 PolarHBondContact ND2-OD1 3Å; F228-N232 WeakPolarHBondContact CD2-ND2 3.41Å; F228-N232 WeakPolarHBondContact O-CB 3.37Å; F228-N232 PolarHBondContact O-N 3.15Å; F228-N232 PolarHBondContact O-ND2 3.38Å; I229-N232 PolarHBondContact O-N 3.42Å; I229-N232 VanDerWaalsContact O-N 3.07Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 PolarHBondContact O-N 3.07Å
233	Q	89.3	Confident	91.5	Very high	36 Å²	36	55.1 Å²	55.1	17%	0.168	27%	0.271	C	S	.	.	S	Bend	trans	-75.8	-13.4	-179.6	68.4	173.2	-31	0	0	114.3	V155 I182 F209 I229	V155-Q233 HydrophobicContact CG1-CB 4.49Å; I182-Q233 HydrophobicContact CD1-CB 4.08Å; F209-Q233 WeakPolarHBondContact CZ-O 3.44Å; I229-Q233 HydrophobicContact CG2-CB 4.35Å; I229-Q233 WeakPolarHBondContact O-CB 3.28Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.37Å; I229-Q233 PolarHBondContact O-N 2.85Å
234	L	85.6	Confident	91.1	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.199	26%	0.255	C	S	.	.	S	Bend	trans	-103	141.7	179.3	-67.9	174.9	0	0	0	110.3	F209 N232 I238 K247	F209-L234 VanDerWaalsContact CE2-C 3.44Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 PolarHBondContact O-N 3.07Å; L234-I238 HydrophobicContact CB-CD1 3.95Å; L234-I238 HydrophobicContact CB-CG1 4.26Å; L234-I238 HydrophobicContact CD1-CD1 3.78Å; L234-I238 HydrophobicContact CD2-CD1 4.37Å; L234-I238 HydrophobicContact CG-CD1 4.23Å; L234-K247 HydrophobicContact CD1-CB 4.4Å; L234-K247 HydrophobicContact CD2-CB 4.16Å; L234-K247 HydrophobicContact CD2-CD 4.01Å
235	P	91.4	Very high	90.7	Very high	32 Å²	32	49 Å²	49	21%	0.208	25%	0.245	C	C	.	.			trans	-64.1	155	171.6	28.4	-35	0	0	0	110.5	F209 D210 V237 I238	F209-P235 HydrophobicContact CB-CB 4.31Å; F209-P235 HydrophobicContact CD1-CB 4.35Å; F209-P235 VanDerWaalsContact CD2-CA 3.43Å; F209-P235 HydrophobicContact CD2-CB 3.62Å; F209-P235 HydrophobicContact CE2-CB 3.93Å; F209-P235 VanDerWaalsContact CE2-N 3.28Å; F209-P235 HydrophobicContact CG-CB 3.84Å; F209-P235 HydrophobicContact CZ-CB 4.46Å; D210-P235 WeakPolarHBondContact OD2-CA 3.38Å; P235-V237 WeakPolarHBondContact CB-O 3.14Å; P235-V237 VanDerWaalsContact CG-O 3.26Å; P235-V237 WeakPolarHBondContact CG-O 3.33Å; P235-V237 PolarHBondContact O-N 3.08Å; P235-I238 HydrophobicContact CG-CB 4.5Å; P235-I238 HydrophobicContact CG-CG1 3.99Å; P235-I238 WeakPolarHBondContact O-CG1 3.49Å
236	L	92.5	Very high	90	Very high	23 Å²	23	53.2 Å²	53.2	12%	0.12	27%	0.273	C	S	.	.	S	Bend	trans	-59.7	-29.3	178	-170	69.1	0	0	0	112.4	D210 K276 A279 E280 K283	D210-L236 PolarHBondContact OD2-N 2.78Å; L236-K276 HydrophobicContact CB-CD 4.13Å; L236-K276 HydrophobicContact CD2-CD 4.09Å; L236-K276 HydrophobicContact CG-CD 4.46Å; L236-A279 HydrophobicContact CD1-CB 4.5Å; L236-A279 HydrophobicContact CD2-CB 3.89Å; L236-A279 HydrophobicContact CG-CB 3.75Å; L236-E280 HydrophobicContact CD2-CB 4.33Å; L236-E280 HydrophobicContact CD2-CG 3.61Å; L236-K283 HydrophobicContact CD1-CB 4.25Å; L236-K283 HydrophobicContact CD1-CD 4.09Å; L236-K283 HydrophobicContact CD1-CG 4.01Å
237	V	94.7	Very high	89.5	Confident	19 Å²	19	54.6 Å²	54.6	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.3	167.6	-61.8	0	0	0	0	108.8	P235 F275 K276 A279 F288	P235-V237 WeakPolarHBondContact CB-O 3.14Å; P235-V237 VanDerWaalsContact CG-O 3.26Å; P235-V237 WeakPolarHBondContact CG-O 3.33Å; P235-V237 PolarHBondContact O-N 3.08Å; V237-F275 HydrophobicContact CG1-CD1 3.93Å; V237-F275 HydrophobicContact CG1-CE1 4.34Å; V237-K276 HydrophobicContact CB-CD 4.25Å; V237-K276 HydrophobicContact CG1-CB 4.24Å; V237-K276 HydrophobicContact CG1-CD 3.65Å; V237-K276 HydrophobicContact CG2-CD 3.71Å; V237-A279 HydrophobicContact CG1-CB 3.95Å; V237-F288 WeakPolarHBondContact CA-O 3.16Å; V237-F288 HydrophobicContact CG1-CB 3.96Å
238	I	94.3	Very high	89.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131	-173.7	-54.7	162	0	0	0	109	L234 P235 F240 T244 I248 L287 F288 I289 F290	L234-I238 HydrophobicContact CB-CD1 3.95Å; L234-I238 HydrophobicContact CB-CG1 4.26Å; L234-I238 HydrophobicContact CD1-CD1 3.78Å; L234-I238 HydrophobicContact CD2-CD1 4.37Å; L234-I238 HydrophobicContact CG-CD1 4.23Å; P235-I238 HydrophobicContact CG-CB 4.5Å; P235-I238 HydrophobicContact CG-CG1 3.99Å; P235-I238 WeakPolarHBondContact O-CG1 3.49Å; I238-F240 PolarHBondContact O-N 2.56Å; I238-T244 HydrophobicContact CG2-CG2 4.05Å; I238-I248 HydrophobicContact CD1-CG1 4.36Å; I238-I248 HydrophobicContact CG2-CD1 3.94Å; I238-I248 HydrophobicContact CG2-CG1 4.14Å; I238-L287 HydrophobicContact CD1-CD1 3.58Å; I238-L287 HydrophobicContact CD1-CD2 4.06Å; I238-L287 HydrophobicContact CD1-CG 4.01Å; I238-F288 PolarHBondContact N-O 2.78Å; I238-I289 CarbonylContact O-C 3.53Å; I238-I289 VanDerWaalsContact O-CA 3.26Å; I238-I289 WeakPolarHBondContact O-CA 3.36Å; I238-F290 WeakPolarHBondContact O-CD1 3.33Å; I238-F290 PolarHBondContact O-N 3.38Å
239	E	95.1	Very high	88.8	Confident	64 Å²	64	54.9 Å²	54.9	30%	0.299	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.3	168.3	-165.4	160.2	-171.4	0	0	108.9	T241 T244 K263 F290	E239-T241 HydrophobicContact CB-CG2 4.31Å; E239-T241 HydrophobicContact CG-CG2 3.92Å; E239-T241 PolarHBondContact O-N 3.34Å; E239-T244 WeakPolarHBondContact O-CB 3.35Å; E239-T244 PolarHBondContact O-OG1 3.29Å; E239-K263 WeakPolarHBondContact OE1-CE 3.33Å; E239-K263 IonicContact OE1-NZ 3.64Å; E239-K263 PolarHBondContact OE1-NZ 3.44Å; E239-K263 IonicContact OE2-NZ 2.9Å; E239-F290 CarbonylContact C-O 3.55Å; E239-F290 VanDerWaalsContact CA-CE1 3.44Å; E239-F290 WeakPolarHBondContact CA-O 3.19Å; E239-F290 HydrophobicContact CB-CD1 4.33Å; E239-F290 HydrophobicContact CB-CE1 3.56Å; E239-F290 HydrophobicContact CB-CE2 3.85Å; E239-F290 HydrophobicContact CB-CZ 3.29Å; E239-F290 VanDerWaalsContact CD-CE2 3.47Å; E239-F290 HydrophobicContact CG-CD2 4.18Å; E239-F290 HydrophobicContact CG-CE1 4.15Å; E239-F290 HydrophobicContact CG-CE2 3.45Å; E239-F290 VanDerWaalsContact CG-CE2 3.45Å; E239-F290 HydrophobicContact CG-CZ 3.46Å; E239-F290 VanDerWaalsContact CG-CZ 3.46Å
240	F	94.9	Very high	88.1	Confident	28 Å²	28	57.4 Å²	57.4	12%	0.123	30%	0.301	C	S	.	.			trans	-73	115.6	170.7	-172.9	-86.3	0	0	0	109.7	I238 A245 I248 F249 I289 F290 I291 I301	I238-F240 PolarHBondContact O-N 2.56Å; F240-A245 HydrophobicContact CE2-CB 3.92Å; F240-A245 HydrophobicContact CZ-CB 3.91Å; F240-I248 HydrophobicContact CD2-CD1 3.9Å; F240-F249 AromaticContact CE2-CE2 3.88Å; F240-F249 HydrophobicContact CE2-CE2 3.88Å; F240-F249 AromaticContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CZ-CE2 4.34Å; F240-I289 HydrophobicContact CB-CG2 3.73Å; F240-F290 PolarHBondContact N-O 3.11Å; F240-I291 HydrophobicContact CB-CB 3.98Å; F240-I291 HydrophobicContact CB-CD1 4.34Å; F240-I291 HydrophobicContact CB-CG1 4.09Å; F240-I291 HydrophobicContact CD1-CD1 3.84Å; F240-I291 HydrophobicContact CD1-CG1 4.22Å; F240-I291 HydrophobicContact CG-CD1 4.21Å; F240-I291 HydrophobicContact CG-CG1 4.46Å; F240-I301 HydrophobicContact CD1-CD1 3.7Å; F240-I301 HydrophobicContact CE1-CD1 3.09Å; F240-I301 HydrophobicContact CE2-CD1 4.13Å; F240-I301 HydrophobicContact CG-CD1 4.43Å; F240-I301 HydrophobicContact CZ-CD1 3.34Å
241	T	89.8	Confident	87.8	Confident	46 Å²	46	54.5 Å²	54.5	28%	0.282	29%	0.293	S	S	.	.			trans	-143.4	167.8	176.7	66.6	0	0	0	0	108.6	E239 Q243 T244 A245	E239-T241 HydrophobicContact CB-CG2 4.31Å; E239-T241 HydrophobicContact CG-CG2 3.92Å; E239-T241 PolarHBondContact O-N 3.34Å; T241-Q243 PolarHBondContact O-N 2.99Å; T241-Q243 VanDerWaalsContact O-N 3.17Å; T241-Q243 PolarHBondContact OG1-N 2.84Å; T241-T244 PolarHBondContact N-OG1 3.02Å; T241-T244 PolarHBondContact O-N 2.77Å; T241-T244 PolarHBondContact O-OG1 3.49Å; T241-T244 PolarHBondContact OG1-N 2.88Å; T241-T244 PolarHBondContact OG1-OG1 2.92Å; T241-A245 WeakPolarHBondContact O-CB 3.2Å; T241-A245 PolarHBondContact O-N 2.93Å
242	E	82.9	Confident	87.7	Confident	162 Å²	162	55 Å²	55	76%	0.757	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.3	172.6	-63.6	-173	155.1	0	0	112.8	P246	E242-P246 WeakPolarHBondContact O-CD 3.38Å
243	Q	83.1	Confident	87.6	Confident	168 Å²	168	55.3 Å²	55.3	79%	0.785	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-33.7	-178.7	-62.5	177.9	10.9	0	0	112.7	T241	T241-Q243 PolarHBondContact O-N 2.99Å; T241-Q243 VanDerWaalsContact O-N 3.17Å; T241-Q243 PolarHBondContact OG1-N 2.84Å
244	T	88.4	Confident	87.6	Confident	30 Å²	30	57.5 Å²	57.5	18%	0.184	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-22.1	-177.5	54	0	0	0	0	112.7	I238 E239 T241 K247 I248	I238-T244 HydrophobicContact CG2-CG2 4.05Å; E239-T244 WeakPolarHBondContact O-CB 3.35Å; E239-T244 PolarHBondContact O-OG1 3.29Å; T241-T244 PolarHBondContact N-OG1 3.02Å; T241-T244 PolarHBondContact O-N 2.77Å; T241-T244 PolarHBondContact O-OG1 3.49Å; T241-T244 PolarHBondContact OG1-N 2.88Å; T241-T244 PolarHBondContact OG1-OG1 2.92Å; T244-K247 WeakPolarHBondContact O-CB 3.44Å; T244-K247 PolarHBondContact O-N 3.28Å; T244-I248 WeakPolarHBondContact O-CG1 3.42Å; T244-I248 PolarHBondContact O-N 3.01Å
245	A	87.2	Confident	88.1	Confident	15 Å²	15	56.6 Å²	56.6	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-53.8	-47.2	-178.7	0	0	0	0	0	113.9	F240 T241 K247 I248 F249	F240-A245 HydrophobicContact CE2-CB 3.92Å; F240-A245 HydrophobicContact CZ-CB 3.91Å; T241-A245 WeakPolarHBondContact O-CB 3.2Å; T241-A245 PolarHBondContact O-N 2.93Å; A245-K247 VanDerWaalsContact C-N 3.26Å; A245-K247 PolarHBondContact O-N 3.43Å; A245-I248 PolarHBondContact O-N 3.22Å; A245-F249 HydrophobicContact CB-CD2 4.33Å; A245-F249 HydrophobicContact CB-CE2 4.14Å; A245-F249 WeakPolarHBondContact O-CD2 3.41Å; A245-F249 PolarHBondContact O-N 3.17Å
246	P	84.2	Confident	88.3	Confident	90 Å²	90	55.3 Å²	55.3	58%	0.584	29%	0.293	S	S	*	.	H	α-helix	trans	-61.1	-34.7	177	-23.2	34.1	0	0	0	113	E242 G250	E242-P246 WeakPolarHBondContact O-CD 3.38Å; P246-G250 WeakPolarHBondContact O-CA 3.42Å; P246-G250 PolarHBondContact O-N 3.18Å
247	K	83.3	Confident	88.6	Confident	76 Å²	76	54.2 Å²	54.2	33%	0.33	29%	0.287	S	S	.	.	H	α-helix	trans	-72.9	-36.7	178.9	-59.1	-173.5	177.9	-167.9	0	111.9	D181 L234 T244 A245 G251	D181-K247 VanDerWaalsContact OD2-CE 3.24Å; D181-K247 WeakPolarHBondContact OD2-CE 3.25Å; D181-K247 IonicContact OD2-NZ 2.72Å; D181-K247 PolarHBondContact OD2-NZ 3.14Å; L234-K247 HydrophobicContact CD1-CB 4.4Å; L234-K247 HydrophobicContact CD2-CB 4.16Å; L234-K247 HydrophobicContact CD2-CD 4.01Å; T244-K247 WeakPolarHBondContact O-CB 3.44Å; T244-K247 PolarHBondContact O-N 3.28Å; A245-K247 VanDerWaalsContact C-N 3.26Å; A245-K247 PolarHBondContact O-N 3.43Å; K247-G251 PolarHBondContact O-N 3.35Å
248	I	88.3	Confident	88.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-56.9	174.7	-71.4	164.3	0	0	0	109.8	I238 F240 T244 A245 G250 G251 L287 I289	I238-I248 HydrophobicContact CD1-CG1 4.36Å; I238-I248 HydrophobicContact CG2-CD1 3.94Å; I238-I248 HydrophobicContact CG2-CG1 4.14Å; F240-I248 HydrophobicContact CD2-CD1 3.9Å; T244-I248 WeakPolarHBondContact O-CG1 3.42Å; T244-I248 PolarHBondContact O-N 3.01Å; A245-I248 PolarHBondContact O-N 3.22Å; I248-G250 PolarHBondContact O-N 3.44Å; I248-G251 PolarHBondContact O-N 3.2Å; I248-G251 VanDerWaalsContact O-N 3.11Å; I248-L287 HydrophobicContact CG1-CD2 4.43Å; I248-L287 HydrophobicContact CG2-CD2 4.17Å; I248-I289 HydrophobicContact CB-CD1 4.43Å; I248-I289 HydrophobicContact CD1-CD1 3.96Å; I248-I289 HydrophobicContact CD1-CG1 4.26Å; I248-I289 HydrophobicContact CD1-CG2 4.38Å; I248-I289 HydrophobicContact CG1-CD1 4.11Å; I248-I289 HydrophobicContact CG2-CD1 3.48Å; I248-I289 VanDerWaalsContact CG2-CD1 3.48Å
249	F	82.9	Confident	88.9	Confident	115 Å²	115	54 Å²	54	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-74.7	-28	-174	-61.9	-57.1	0	0	0	113.7	F240 A245 G251 L320	F240-F249 AromaticContact CE2-CE2 3.88Å; F240-F249 HydrophobicContact CE2-CE2 3.88Å; F240-F249 AromaticContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CZ-CE2 4.34Å; A245-F249 HydrophobicContact CB-CD2 4.33Å; A245-F249 HydrophobicContact CB-CE2 4.14Å; A245-F249 WeakPolarHBondContact O-CD2 3.41Å; A245-F249 PolarHBondContact O-N 3.17Å; F249-G251 PolarHBondContact O-N 2.87Å; F249-L320 HydrophobicContact CD1-CD1 3.83Å; F249-L320 HydrophobicContact CE1-CD1 4.12Å
250	G	79.8	Confident	89	Confident	55 Å²	55	51 Å²	51	57%	0.567	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.5	170.1	0	0	0	0	0	114.2	P246 I248	P246-G250 WeakPolarHBondContact O-CA 3.42Å; P246-G250 PolarHBondContact O-N 3.18Å; I248-G250 PolarHBondContact O-N 3.44Å
251	G	80.1	Confident	89.1	Confident	16 Å²	16	49.6 Å²	49.6	17%	0.165	27%	0.265	C	S	.	.	S	Bend	trans	-69.1	157.6	178	0	0	0	0	0	113.7	K247 I248 F249 K254	K247-G251 PolarHBondContact O-N 3.35Å; I248-G251 PolarHBondContact O-N 3.2Å; I248-G251 VanDerWaalsContact O-N 3.11Å; F249-G251 PolarHBondContact O-N 2.87Å; G251-K254 PolarHBondContact O-NZ 3Å
252	E	83	Confident	89.5	Confident	112 Å²	112	47.8 Å²	47.8	52%	0.523	25%	0.254	S	S	.	.	S	Bend	trans	-77.8	-29.1	174.7	-77.6	167.4	-150.4	0	0	112.6	K230 K254	K230-E252 IonicContact NZ-OE1 3.6Å; K230-E252 PolarHBondContact NZ-OE1 2.96Å; E252-K254 PolarHBondContact O-N 3.36Å; E252-K254 VanDerWaalsContact O-N 3.15Å
253	I	88.5	Confident	90.1	Very high	35 Å²	35	44.8 Å²	44.8	18%	0.179	24%	0.239	C	C	.	.			trans	-74.1	109.3	179.4	-54.2	176.4	0	0	0	108	T255 H256 K285 L287	I253-T255 WeakPolarHBondContact CG2-O 3.31Å; I253-H256 PolarHBondContact O-CE1 3.42Å; I253-H256 PolarHBondContact O-NE2 3.4Å; I253-K285 WeakPolarHBondContact CG2-O 3.36Å; I253-L287 HydrophobicContact CB-CB 4.36Å; I253-L287 HydrophobicContact CD1-CD1 4.48Å; I253-L287 HydrophobicContact CG2-CB 4.13Å
254	K	90.6	Very high	90.7	Very high	81 Å²	81	41.3 Å²	41.3	35%	0.352	23%	0.233	S	C	.	.			trans	-86.7	-12.5	179.1	-57.6	-50.3	-175.9	-172	0	113.5	G251 E252 H256 L320 E321	G251-K254 PolarHBondContact O-NZ 3Å; E252-K254 PolarHBondContact O-N 3.36Å; E252-K254 VanDerWaalsContact O-N 3.15Å; K254-H256 PolarHBondContact O-ND1 3.43Å; K254-L320 HydrophobicContact CB-CB 4.39Å; K254-L320 PolarHBondContact O-N 3.4Å; K254-E321 HydrophobicContact CB-CG 4.03Å; K254-E321 HydrophobicContact CG-CG 4.5Å
255	T	94.8	Very high	91	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.7	173.5	-50.3	0	0	0	0	111.3	I253 I286 L287 L317 T319 F346	I253-T255 WeakPolarHBondContact CG2-O 3.31Å; T255-I286 HydrophobicContact CG2-CG1 4.04Å; T255-I286 HydrophobicContact CG2-CG2 4.22Å; T255-I286 WeakPolarHBondContact O-CA 3.48Å; T255-L287 PolarHBondContact O-N 2.92Å; T255-L317 HydrophobicContact CG2-CD1 4.43Å; T255-L317 HydrophobicContact CG2-CD2 3.75Å; T255-L317 HydrophobicContact CG2-CG 4.21Å; T255-T319 HydrophobicContact CG2-CG2 4.4Å; T255-F346 HydrophobicContact CG2-CD1 4.34Å; T255-F346 HydrophobicContact CG2-CE1 3.44Å; T255-F346 VanDerWaalsContact CG2-CE1 3.44Å; T255-F346 HydrophobicContact CG2-CZ 3.78Å
256	H	96.4	Very high	91.4	Very high	4 Å²	4	45 Å²	45	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.5	-177.4	-60.4	76.2	0	0	0	110.4	I253 K254 L258 L287 I289 L317 I318 L320	I253-H256 PolarHBondContact O-CE1 3.42Å; I253-H256 PolarHBondContact O-NE2 3.4Å; K254-H256 PolarHBondContact O-ND1 3.43Å; H256-L258 HydrophobicContact CB-CD1 3.81Å; H256-L287 WeakPolarHBondContact CA-O 3.31Å; H256-I289 HydrophobicContact CB-CD1 4.39Å; H256-L317 CarbonylContact O-C 3.57Å; H256-L317 VanDerWaalsContact O-CA 3.28Å; H256-L317 WeakPolarHBondContact O-CA 3.49Å; H256-L317 WeakPolarHBondContact O-CG 3.49Å; H256-I318 HydrophobicContact CB-CG2 3.8Å; H256-I318 PolarHBondContact N-O 3.39Å; H256-I318 PolarHBondContact O-N 3.14Å; H256-L320 WeakPolarHBondContact CE1-CD1 3.49Å; H256-L320 WeakPolarHBondContact ND1-CD1 3.39Å
257	I	97.7	Very high	92	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.7	167.2	-171.6	172.2	0	0	0	108.9	F275 I286 L287 F288 I289 V315 R316 L317 I339 F342 C343	I257-F275 HydrophobicContact CD1-CE2 4.19Å; I257-F275 HydrophobicContact CG1-CE2 4.13Å; I257-F275 HydrophobicContact CG1-CZ 4.35Å; I257-F275 HydrophobicContact CG2-CE2 4.28Å; I257-F275 HydrophobicContact CG2-CZ 3.96Å; I257-I286 HydrophobicContact CB-CG2 3.91Å; I257-I286 HydrophobicContact CG2-CG2 3.6Å; I257-L287 PolarHBondContact N-O 2.71Å; I257-F288 HydrophobicContact CD1-CE1 4.4Å; I257-F288 HydrophobicContact CD1-CZ 4.5Å; I257-F288 HydrophobicContact CG2-CB 4.08Å; I257-F288 HydrophobicContact CG2-CD1 3.58Å; I257-F288 HydrophobicContact CG2-CD2 3.44Å; I257-F288 VanDerWaalsContact CG2-CD2 3.44Å; I257-F288 HydrophobicContact CG2-CE1 3.77Å; I257-F288 HydrophobicContact CG2-CE2 3.61Å; I257-F288 HydrophobicContact CG2-CG 3.41Å; I257-F288 VanDerWaalsContact CG2-CG 3.41Å; I257-F288 HydrophobicContact CG2-CZ 3.77Å; I257-I289 PolarHBondContact O-N 3.44Å; I257-V315 HydrophobicContact CD1-CG1 3.67Å; I257-V315 HydrophobicContact CG1-CG1 3.66Å; I257-R316 CarbonylContact C-O 3.57Å; I257-R316 WeakPolarHBondContact CA-O 3.3Å; I257-L317 HydrophobicContact CB-CD1 4.42Å; I257-L317 HydrophobicContact CB-CG 4.45Å; I257-I339 HydrophobicContact CD1-CG2 4.08Å; I257-F342 HydrophobicContact CD1-CD1 3.95Å; I257-F342 HydrophobicContact CD1-CE1 3.98Å; I257-F342 HydrophobicContact CG1-CE1 4.5Å; I257-C343 VanDerWaalsContact CD1-SG 3.56Å
258	L	97.7	Very high	92.6	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.068	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.3	-176.5	-72	78.6	0	0	0	109.3	H256 F260 I289 I301 F305 V315 R316 I318	H256-L258 HydrophobicContact CB-CD1 3.81Å; L258-F260 HydrophobicContact CB-CD2 4.46Å; L258-F260 HydrophobicContact CB-CE2 3.88Å; L258-F260 HydrophobicContact CB-CZ 4.35Å; L258-F260 HydrophobicContact CD2-CE2 4.5Å; L258-F260 HydrophobicContact CD2-CZ 4.16Å; L258-I289 CarbonylContact C-O 3.53Å; L258-I289 VanDerWaalsContact CA-O 3.31Å; L258-I289 WeakPolarHBondContact CA-O 3.47Å; L258-I289 HydrophobicContact CG-CB 4.35Å; L258-I301 HydrophobicContact CD2-CG2 4.45Å; L258-F305 HydrophobicContact CD1-CZ 4.08Å; L258-F305 HydrophobicContact CD2-CE2 3.73Å; L258-F305 HydrophobicContact CD2-CZ 3.94Å; L258-V315 CarbonylContact O-C 3.49Å; L258-V315 VanDerWaalsContact O-CA 3.32Å; L258-V315 WeakPolarHBondContact O-CA 3.47Å; L258-R316 PolarHBondContact N-O 2.86Å; L258-R316 PolarHBondContact O-N 3.45Å; L258-I318 HydrophobicContact CD1-CG2 4Å
259	L	98.2	Very high	93	Very high	3 Å²	3	50 Å²	50	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.3	165.8	174.8	67.6	0	0	0	109	L261 F275 I289 F290 I291 V315 L334	L259-L261 HydrophobicContact CD2-CB 4.17Å; L259-L261 HydrophobicContact CD2-CD1 4.35Å; L259-L261 HydrophobicContact CD2-CD2 3.98Å; L259-L261 HydrophobicContact CD2-CG 4.4Å; L259-L261 HydrophobicContact CG-CB 4.03Å; L259-L261 PolarHBondContact O-N 3.23Å; L259-F275 HydrophobicContact CB-CD1 4.04Å; L259-F275 HydrophobicContact CB-CD2 3.9Å; L259-F275 HydrophobicContact CB-CE1 3.83Å; L259-F275 HydrophobicContact CB-CE2 3.71Å; L259-F275 HydrophobicContact CB-CG 4.07Å; L259-F275 HydrophobicContact CB-CZ 3.66Å; L259-F275 HydrophobicContact CD2-CB 3.77Å; L259-F275 HydrophobicContact CD2-CD1 4.03Å; L259-F275 HydrophobicContact CD2-CD2 4.13Å; L259-F275 HydrophobicContact CD2-CG 3.74Å; L259-F275 HydrophobicContact CG-CD2 4.47Å; L259-F275 HydrophobicContact CG-CG 4.48Å; L259-I289 PolarHBondContact N-O 2.81Å; L259-F290 HydrophobicContact CB-CB 4.18Å; L259-F290 HydrophobicContact CD2-CB 4.44Å; L259-F290 CarbonylContact O-C 3.47Å; L259-F290 VanDerWaalsContact O-CA 3.22Å; L259-F290 WeakPolarHBondContact O-CA 3.01Å; L259-I291 PolarHBondContact O-N 3.38Å; L259-V315 HydrophobicContact CB-CG2 4.35Å; L259-V315 HydrophobicContact CD1-CG2 3.56Å; L259-L334 HydrophobicContact CD1-CD1 4.06Å
260	F	97.7	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	103.7	169.2	-64	-94.2	0	0	0	107.9	L258 I291 I301 L302 F305 L307 P313 A314 R316	L258-F260 HydrophobicContact CB-CD2 4.46Å; L258-F260 HydrophobicContact CB-CE2 3.88Å; L258-F260 HydrophobicContact CB-CZ 4.35Å; L258-F260 HydrophobicContact CD2-CE2 4.5Å; L258-F260 HydrophobicContact CD2-CZ 4.16Å; F260-I291 HydrophobicContact CB-CG2 4.2Å; F260-I291 HydrophobicContact CD1-CG2 3.3Å; F260-I291 HydrophobicContact CD2-CG2 4.39Å; F260-I291 HydrophobicContact CE1-CD1 4.42Å; F260-I291 HydrophobicContact CE1-CG2 3.63Å; F260-I291 HydrophobicContact CG-CG2 3.73Å; F260-I291 HydrophobicContact CZ-CG2 4.28Å; F260-I301 HydrophobicContact CE1-CG2 3.96Å; F260-I301 HydrophobicContact CZ-CG2 4.13Å; F260-L302 HydrophobicContact CD1-CD1 3.75Å; F260-L302 HydrophobicContact CD1-CG 3.95Å; F260-L302 HydrophobicContact CE1-CD1 3.91Å; F260-L302 HydrophobicContact CE1-CG 4.14Å; F260-F305 HydrophobicContact CE2-CB 4.31Å; F260-F305 HydrophobicContact CE2-CD2 4.31Å; F260-F305 HydrophobicContact CE2-CG 4.17Å; F260-F305 HydrophobicContact CZ-CB 3.95Å; F260-F305 AromaticContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CE2 4.19Å; F260-F305 AromaticContact CZ-CG 3.8Å; F260-F305 HydrophobicContact CZ-CG 3.8Å; F260-L307 HydrophobicContact CB-CD1 4.35Å; F260-L307 HydrophobicContact CD1-CD1 4.12Å; F260-L307 HydrophobicContact CD2-CD1 3.34Å; F260-L307 HydrophobicContact CE1-CD1 4.29Å; F260-L307 HydrophobicContact CE2-CD1 3.55Å; F260-L307 HydrophobicContact CG-CD1 3.67Å; F260-L307 HydrophobicContact CZ-CD1 4.04Å; F260-P313 CarbonylContact O-C 3.59Å; F260-P313 WeakPolarHBondContact O-CA 3.28Å; F260-P313 WeakPolarHBondContact O-CB 3.37Å; F260-A314 PolarHBondContact N-O 3.29Å; F260-A314 PolarHBondContact O-N 3.32Å; F260-A314 VanDerWaalsContact O-N 3.08Å; F260-R316 HydrophobicContact CE2-CB 4.14Å; F260-R316 HydrophobicContact CE2-CG 4.03Å
261	L	97.5	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.			trans	-124.1	103.8	-172.5	-165.4	63.8	0	0	0	109.9	L259 K263 V265 Y268 K271 L272 I291 P313	L259-L261 HydrophobicContact CD2-CB 4.17Å; L259-L261 HydrophobicContact CD2-CD1 4.35Å; L259-L261 HydrophobicContact CD2-CD2 3.98Å; L259-L261 HydrophobicContact CD2-CG 4.4Å; L259-L261 HydrophobicContact CG-CB 4.03Å; L259-L261 PolarHBondContact O-N 3.23Å; L261-K263 PolarHBondContact O-N 2.97Å; L261-V265 HydrophobicContact CD1-CG1 3.92Å; L261-V265 HydrophobicContact CG-CG1 4.37Å; L261-Y268 HydrophobicContact CB-CE2 4.21Å; L261-Y268 HydrophobicContact CD2-CD2 3.61Å; L261-Y268 HydrophobicContact CD2-CE1 4.33Å; L261-Y268 HydrophobicContact CD2-CE2 3.38Å; L261-Y268 HydrophobicContact CD2-CG 4.18Å; L261-Y268 HydrophobicContact CG-CD2 3.65Å; L261-Y268 HydrophobicContact CG-CE2 3.55Å; L261-K271 HydrophobicContact CD1-CB 3.96Å; L261-K271 HydrophobicContact CD1-CD 4.05Å; L261-L272 HydrophobicContact CD2-CB 3.96Å; L261-L272 HydrophobicContact CD2-CD1 4.41Å; L261-I291 PolarHBondContact N-O 2.95Å; L261-P313 HydrophobicContact CD1-CB 3.84Å
262	P	96.7	Very high	95.3	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.052	25%	0.249	C	C	.	.			trans	-65.9	132.1	178.8	5.9	-0.2	0	0	0	109.7	S264 V265 S293 D294 C312	P262-S264 PolarHBondContact O-N 3.44Å; P262-S264 VanDerWaalsContact O-N 3.14Å; P262-V265 HydrophobicContact CB-CB 4.38Å; P262-V265 HydrophobicContact CG-CB 3.96Å; P262-V265 HydrophobicContact CG-CG2 4.36Å; P262-V265 VanDerWaalsContact O-CB 3.27Å; P262-V265 WeakPolarHBondContact O-CB 3.37Å; P262-V265 WeakPolarHBondContact O-CG1 3.39Å; P262-V265 PolarHBondContact O-N 2.92Å; P262-S293 VanDerWaalsContact CA-OG 3.28Å; P262-S293 WeakPolarHBondContact CA-OG 3.26Å; P262-S293 VanDerWaalsContact CB-OG 3.3Å; P262-S293 WeakPolarHBondContact CB-OG 3.22Å; P262-S293 VanDerWaalsContact CD-OG 3.3Å; P262-S293 WeakPolarHBondContact CD-OG 3.44Å; P262-S293 WeakPolarHBondContact CG-OG 3.32Å; P262-S293 VanDerWaalsContact N-OG 3.13Å; P262-D294 WeakPolarHBondContact CB-OD1 3.21Å; P262-D294 VanDerWaalsContact CB-OD2 3.22Å; P262-D294 WeakPolarHBondContact CB-OD2 3.31Å; P262-C312 HydrophobicContact CG-CB 3.99Å
263	K	95.7	Very high	95.9	Very high	99 Å²	99	43.4 Å²	43.4	43%	0.43	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.5	175	-65.8	-78.6	170.7	121.9	0	112	E239 L261 V265 Y268 D292 D294	E239-K263 WeakPolarHBondContact OE1-CE 3.33Å; E239-K263 IonicContact OE1-NZ 3.64Å; E239-K263 PolarHBondContact OE1-NZ 3.44Å; E239-K263 IonicContact OE2-NZ 2.9Å; L261-K263 PolarHBondContact O-N 2.97Å; K263-V265 VanDerWaalsContact C-N 3.32Å; K263-Y268 HydrophobicContact CD-CE2 3.75Å; K263-Y268 VanDerWaalsContact CE-OH 3.29Å; K263-Y268 WeakPolarHBondContact CE-OH 3.32Å; K263-Y268 HydrophobicContact CG-CE2 4.44Å; K263-D292 HydrophobicContact CG-CB 4.06Å; K263-D292 WeakPolarHBondContact CG-OD1 3.46Å; K263-D292 VanDerWaalsContact CG-OD2 3.3Å; K263-D292 WeakPolarHBondContact CG-OD2 3.31Å; K263-D292 PolarHBondContact N-OD1 3.24Å; K263-D292 VanDerWaalsContact N-OD1 3.16Å; K263-D294 PolarHBondContact N-OD2 3.22Å; K263-D294 VanDerWaalsContact N-OD2 3.16Å
264	S	95.6	Very high	96.4	Very high	95 Å²	95	44.3 Å²	44.3	66%	0.664	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.2	175.2	64	0	0	0	0	115	P262 D294	P262-S264 PolarHBondContact O-N 3.44Å; P262-S264 VanDerWaalsContact O-N 3.14Å; S264-D294 WeakPolarHBondContact CB-OD2 3.49Å; S264-D294 PolarHBondContact N-OD2 3.05Å; S264-D294 PolarHBondContact OG-OD1 3.42Å; S264-D294 PolarHBondContact OG-OD2 2.86Å
265	V	95.9	Very high	96.7	Very high	25 Å²	25	40.4 Å²	40.4	15%	0.152	23%	0.234	C	C	.	.	S	Bend	trans	-68.5	144.4	-174.4	83.5	0	0	0	0	112.2	L261 P262 K263 Y268 K271 P313	L261-V265 HydrophobicContact CD1-CG1 3.92Å; L261-V265 HydrophobicContact CG-CG1 4.37Å; P262-V265 HydrophobicContact CB-CB 4.38Å; P262-V265 HydrophobicContact CG-CB 3.96Å; P262-V265 HydrophobicContact CG-CG2 4.36Å; P262-V265 VanDerWaalsContact O-CB 3.27Å; P262-V265 WeakPolarHBondContact O-CB 3.37Å; P262-V265 WeakPolarHBondContact O-CG1 3.39Å; P262-V265 PolarHBondContact O-N 2.92Å; K263-V265 VanDerWaalsContact C-N 3.32Å; V265-Y268 HydrophobicContact CG1-CD2 4.1Å; V265-K271 HydrophobicContact CG1-CD 4.32Å; V265-P313 HydrophobicContact CG2-CG 4.13Å
266	S	95.3	Very high	96.8	Very high	96 Å²	96	41.7 Å²	41.7	67%	0.671	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	139.8	167.5	56.3	0	0	0	0	111.2	Y268 K271	S266-Y268 VanDerWaalsContact C-N 3.35Å; S266-Y268 PolarHBondContact O-N 3.2Å; S266-K271 WeakPolarHBondContact O-CE 3.2Å; S266-K271 PolarHBondContact O-NZ 3.03Å
267	D	95.8	Very high	96.8	Very high	112 Å²	112	44.7 Å²	44.7	60%	0.599	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	45.6	-179.7	-169	37.3	0	0	0	113.4	D269 G270 K271	D267-D269 PolarHBondContact O-N 3.19Å; D267-G270 PolarHBondContact O-N 2.88Å; D267-G270 WeakPolarHBondContact OD1-CA 3.38Å; D267-G270 PolarHBondContact OD1-N 2.54Å; D267-K271 WeakPolarHBondContact O-CG 3.17Å; D267-K271 PolarHBondContact O-N 3.31Å; D267-K271 VanDerWaalsContact O-N 3.08Å
268	Y	97	Very high	96.8	Very high	36 Å²	36	44.7 Å²	44.7	14%	0.141	26%	0.256	C	S	.	.	H	α-helix	trans	-51.8	-52.6	176.8	178.8	-86.5	0	0	0	111.7	L261 K263 V265 S266 G270 K271 L272 F290	L261-Y268 HydrophobicContact CB-CE2 4.21Å; L261-Y268 HydrophobicContact CD2-CD2 3.61Å; L261-Y268 HydrophobicContact CD2-CE1 4.33Å; L261-Y268 HydrophobicContact CD2-CE2 3.38Å; L261-Y268 HydrophobicContact CD2-CG 4.18Å; L261-Y268 HydrophobicContact CG-CD2 3.65Å; L261-Y268 HydrophobicContact CG-CE2 3.55Å; K263-Y268 HydrophobicContact CD-CE2 3.75Å; K263-Y268 VanDerWaalsContact CE-OH 3.29Å; K263-Y268 WeakPolarHBondContact CE-OH 3.32Å; K263-Y268 HydrophobicContact CG-CE2 4.44Å; V265-Y268 HydrophobicContact CG1-CD2 4.1Å; S266-Y268 VanDerWaalsContact C-N 3.35Å; S266-Y268 PolarHBondContact O-N 3.2Å; Y268-G270 PolarHBondContact O-N 3.13Å; Y268-K271 PolarHBondContact O-N 3.18Å; Y268-L272 HydrophobicContact CE1-CD2 3.82Å; Y268-L272 WeakPolarHBondContact O-CB 3.36Å; Y268-L272 PolarHBondContact O-N 3.35Å; Y268-F290 WeakPolarHBondContact OH-CE2 3.37Å
269	D	96	Very high	96.8	Very high	125 Å²	125	44.1 Å²	44.1	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-66.1	-37.2	-177.2	-66.3	-33.2	0	0	0	112.5	D267 L272 S273	D267-D269 PolarHBondContact O-N 3.19Å; D269-L272 PolarHBondContact O-N 3.09Å; D269-S273 WeakPolarHBondContact O-CB 3.28Å; D269-S273 PolarHBondContact O-N 2.85Å
270	G	96.9	Very high	96.5	Very high	21 Å²	21	50 Å²	50	22%	0.216	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-44.3	176.5	0	0	0	0	0	112.1	D267 Y268 S273 N274	D267-G270 PolarHBondContact O-N 2.88Å; D267-G270 WeakPolarHBondContact OD1-CA 3.38Å; D267-G270 PolarHBondContact OD1-N 2.54Å; Y268-G270 PolarHBondContact O-N 3.13Å; G270-S273 PolarHBondContact O-N 2.88Å; G270-N274 PolarHBondContact O-N 3.2Å
271	K	97.2	Very high	96.4	Very high	42 Å²	42	53.2 Å²	53.2	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-43.1	176	-69.9	168.7	-178.9	163.1	0	112.1	L261 V265 S266 D267 Y268 S273 N274 F275 P313	L261-K271 HydrophobicContact CD1-CB 3.96Å; L261-K271 HydrophobicContact CD1-CD 4.05Å; V265-K271 HydrophobicContact CG1-CD 4.32Å; S266-K271 WeakPolarHBondContact O-CE 3.2Å; S266-K271 PolarHBondContact O-NZ 3.03Å; D267-K271 WeakPolarHBondContact O-CG 3.17Å; D267-K271 PolarHBondContact O-N 3.31Å; D267-K271 VanDerWaalsContact O-N 3.08Å; Y268-K271 PolarHBondContact O-N 3.18Å; K271-S273 VanDerWaalsContact C-N 3.31Å; K271-S273 PolarHBondContact O-N 3.09Å; K271-N274 WeakPolarHBondContact O-CB 3.41Å; K271-N274 PolarHBondContact O-N 3.47Å; K271-F275 PolarHBondContact O-N 2.94Å; K271-F275 VanDerWaalsContact O-N 3.11Å; K271-P313 HydrophobicContact CD-CG 4.3Å
272	L	97.1	Very high	96.3	Very high	31 Å²	31	53.4 Å²	53.4	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-37.6	175.9	-173.8	59.5	0	0	0	111.4	L261 Y268 D269 F275 K276 F290	L261-L272 HydrophobicContact CD2-CB 3.96Å; L261-L272 HydrophobicContact CD2-CD1 4.41Å; Y268-L272 HydrophobicContact CE1-CD2 3.82Å; Y268-L272 WeakPolarHBondContact O-CB 3.36Å; Y268-L272 PolarHBondContact O-N 3.35Å; D269-L272 PolarHBondContact O-N 3.09Å; L272-F275 WeakPolarHBondContact O-CB 3.43Å; L272-F275 PolarHBondContact O-N 2.66Å; L272-K276 WeakPolarHBondContact O-CB 3.41Å; L272-K276 PolarHBondContact O-N 2.95Å; L272-F290 HydrophobicContact CD1-CB 4.14Å; L272-F290 HydrophobicContact CD1-CD1 3.83Å; L272-F290 HydrophobicContact CD1-CD2 4.28Å; L272-F290 HydrophobicContact CD1-CE1 4.26Å; L272-F290 HydrophobicContact CD1-CG 3.82Å; L272-F290 HydrophobicContact CD2-CZ 4.45Å
273	S	96.5	Very high	95.8	Very high	66 Å²	66	57.8 Å²	57.8	46%	0.462	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-40.3	174.7	-174.3	0	0	0	0	112.5	D269 G270 K271 F275 K276 T277	D269-S273 WeakPolarHBondContact O-CB 3.28Å; D269-S273 PolarHBondContact O-N 2.85Å; G270-S273 PolarHBondContact O-N 2.88Å; K271-S273 VanDerWaalsContact C-N 3.31Å; K271-S273 PolarHBondContact O-N 3.09Å; S273-F275 VanDerWaalsContact C-N 3.32Å; S273-F275 PolarHBondContact O-N 3.34Å; S273-K276 PolarHBondContact O-N 3.21Å; S273-T277 WeakPolarHBondContact O-CB 3.48Å; S273-T277 PolarHBondContact O-N 3.38Å; S273-T277 PolarHBondContact O-OG1 2.87Å
274	N	97.6	Very high	95.3	Very high	53 Å²	53	55.1 Å²	55.1	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-43.4	172.8	-71.9	-14.7	0	0	0	111.6	G270 K271 T277 A278 L334 A336	G270-N274 PolarHBondContact O-N 3.2Å; K271-N274 WeakPolarHBondContact O-CB 3.41Å; K271-N274 PolarHBondContact O-N 3.47Å; N274-T277 PolarHBondContact O-N 2.89Å; N274-A278 PolarHBondContact O-N 3.34Å; N274-A278 VanDerWaalsContact O-N 3.09Å; N274-L334 PolarHBondContact ND2-O 3.45Å; N274-A336 HydrophobicContact CB-CB 4.43Å; N274-A336 WeakPolarHBondContact O-CB 3.47Å
275	F	97.9	Very high	95.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-42.1	177.3	-166.6	-114.4	0	0	0	111.9	V237 I257 L259 K271 L272 S273 A278 A279 F288 I289 V315 I339	V237-F275 HydrophobicContact CG1-CD1 3.93Å; V237-F275 HydrophobicContact CG1-CE1 4.34Å; I257-F275 HydrophobicContact CD1-CE2 4.19Å; I257-F275 HydrophobicContact CG1-CE2 4.13Å; I257-F275 HydrophobicContact CG1-CZ 4.35Å; I257-F275 HydrophobicContact CG2-CE2 4.28Å; I257-F275 HydrophobicContact CG2-CZ 3.96Å; L259-F275 HydrophobicContact CB-CD1 4.04Å; L259-F275 HydrophobicContact CB-CD2 3.9Å; L259-F275 HydrophobicContact CB-CE1 3.83Å; L259-F275 HydrophobicContact CB-CE2 3.71Å; L259-F275 HydrophobicContact CB-CG 4.07Å; L259-F275 HydrophobicContact CB-CZ 3.66Å; L259-F275 HydrophobicContact CD2-CB 3.77Å; L259-F275 HydrophobicContact CD2-CD1 4.03Å; L259-F275 HydrophobicContact CD2-CD2 4.13Å; L259-F275 HydrophobicContact CD2-CG 3.74Å; L259-F275 HydrophobicContact CG-CD2 4.47Å; L259-F275 HydrophobicContact CG-CG 4.48Å; K271-F275 PolarHBondContact O-N 2.94Å; K271-F275 VanDerWaalsContact O-N 3.11Å; L272-F275 WeakPolarHBondContact O-CB 3.43Å; L272-F275 PolarHBondContact O-N 2.66Å; S273-F275 VanDerWaalsContact C-N 3.32Å; S273-F275 PolarHBondContact O-N 3.34Å; F275-A278 PolarHBondContact O-N 2.76Å; F275-A279 PolarHBondContact O-N 3.15Å; F275-F288 HydrophobicContact CD1-CD1 4.02Å; F275-F288 AromaticContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CE1 4.23Å; F275-F288 HydrophobicContact CE1-CB 3.8Å; F275-F288 AromaticContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CG 4.2Å; F275-F288 AromaticContact CE2-CD1 3.61Å; F275-F288 HydrophobicContact CE2-CD1 3.61Å; F275-F288 AromaticContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CG-CD1 4.18Å; F275-F288 HydrophobicContact CZ-CB 4.07Å; F275-F288 AromaticContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CD1 3.45Å; F275-F288 VanDerWaalsContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CE1 4.25Å; F275-F288 HydrophobicContact CZ-CG 4.09Å; F275-I289 VanDerWaalsContact CE1-O 3.31Å; F275-I289 WeakPolarHBondContact CE1-O 3.44Å; F275-I289 WeakPolarHBondContact CZ-O 3.32Å; F275-V315 HydrophobicContact CE2-CG2 4.49Å; F275-I339 HydrophobicContact CB-CD1 4.48Å; F275-I339 HydrophobicContact CD2-CD1 4.06Å; F275-I339 HydrophobicContact CD2-CG2 4.17Å; F275-I339 HydrophobicContact CE2-CG2 4.39Å
276	K	96.2	Very high	95.2	Very high	47 Å²	47	55.8 Å²	55.8	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-44.3	174.5	-176.5	62.2	166.3	77.6	0	112.6	D210 L236 V237 L272 S273 A278 A279	D210-K276 WeakPolarHBondContact OD1-CE 3.5Å; D210-K276 IonicContact OD1-NZ 2.67Å; D210-K276 PolarHBondContact OD1-NZ 2.97Å; L236-K276 HydrophobicContact CB-CD 4.13Å; L236-K276 HydrophobicContact CD2-CD 4.09Å; L236-K276 HydrophobicContact CG-CD 4.46Å; V237-K276 HydrophobicContact CB-CD 4.25Å; V237-K276 HydrophobicContact CG1-CB 4.24Å; V237-K276 HydrophobicContact CG1-CD 3.65Å; V237-K276 HydrophobicContact CG2-CD 3.71Å; L272-K276 WeakPolarHBondContact O-CB 3.41Å; L272-K276 PolarHBondContact O-N 2.95Å; S273-K276 PolarHBondContact O-N 3.21Å; K276-A278 VanDerWaalsContact C-N 3.33Å; K276-A278 PolarHBondContact O-N 3.36Å; K276-A279 WeakPolarHBondContact O-CB 3.48Å; K276-A279 PolarHBondContact O-N 2.7Å
277	T	96.7	Very high	95.1	Very high	66 Å²	66	52.2 Å²	52.2	41%	0.405	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-43.3	177.9	-57.1	0	0	0	0	110.7	S273 N274 A279 E280 A336	S273-T277 WeakPolarHBondContact O-CB 3.48Å; S273-T277 PolarHBondContact O-N 3.38Å; S273-T277 PolarHBondContact O-OG1 2.87Å; N274-T277 PolarHBondContact O-N 2.89Å; T277-A279 VanDerWaalsContact C-N 3.34Å; T277-A279 PolarHBondContact O-N 2.75Å; T277-E280 PolarHBondContact O-N 2.89Å; T277-A336 HydrophobicContact CG2-CB 3.93Å
278	A	97.6	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-39.7	176.2	0	0	0	0	0	112.1	N274 F275 K276 E280 S281 F282 F288 I339	N274-A278 PolarHBondContact O-N 3.34Å; N274-A278 VanDerWaalsContact O-N 3.09Å; F275-A278 PolarHBondContact O-N 2.76Å; K276-A278 VanDerWaalsContact C-N 3.33Å; K276-A278 PolarHBondContact O-N 3.36Å; A278-E280 PolarHBondContact O-N 3.08Å; A278-E280 VanDerWaalsContact O-N 3.14Å; A278-S281 PolarHBondContact O-N 3.04Å; A278-F282 WeakPolarHBondContact O-CD2 3.29Å; A278-F282 VanDerWaalsContact O-CE2 3.25Å; A278-F282 WeakPolarHBondContact O-CE2 3.19Å; A278-F288 HydrophobicContact CB-CE1 4.08Å; A278-I339 HydrophobicContact CB-CB 3.81Å; A278-I339 HydrophobicContact CB-CG2 3.56Å
279	A	96.8	Very high	95.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-28.8	-177.9	0	0	0	0	0	113.9	L236 V237 F275 K276 T277 S281 F282 F288	L236-A279 HydrophobicContact CD1-CB 4.5Å; L236-A279 HydrophobicContact CD2-CB 3.89Å; L236-A279 HydrophobicContact CG-CB 3.75Å; V237-A279 HydrophobicContact CG1-CB 3.95Å; F275-A279 PolarHBondContact O-N 3.15Å; K276-A279 WeakPolarHBondContact O-CB 3.48Å; K276-A279 PolarHBondContact O-N 2.7Å; T277-A279 VanDerWaalsContact C-N 3.34Å; T277-A279 PolarHBondContact O-N 2.75Å; A279-S281 PolarHBondContact O-N 2.89Å; A279-S281 VanDerWaalsContact O-N 3.13Å; A279-F282 PolarHBondContact O-N 3.45Å; A279-F282 VanDerWaalsContact O-N 3.09Å; A279-F288 HydrophobicContact CB-CB 3.87Å; A279-F288 HydrophobicContact CB-CD1 3.46Å; A279-F288 VanDerWaalsContact CB-CD1 3.46Å; A279-F288 HydrophobicContact CB-CD2 3.8Å; A279-F288 HydrophobicContact CB-CE1 3.88Å; A279-F288 HydrophobicContact CB-CE2 4.22Å; A279-F288 HydrophobicContact CB-CG 3.42Å; A279-F288 VanDerWaalsContact CB-CG 3.42Å; A279-F288 HydrophobicContact CB-CZ 4.25Å
280	E	93.2	Very high	95.3	Very high	126 Å²	126	40.2 Å²	40.2	59%	0.589	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-56.9	-30.3	179.8	-65.9	178	-171.9	0	0	113.1	L236 T277 A278 F282	L236-E280 HydrophobicContact CD2-CB 4.33Å; L236-E280 HydrophobicContact CD2-CG 3.61Å; T277-E280 PolarHBondContact O-N 2.89Å; A278-E280 PolarHBondContact O-N 3.08Å; A278-E280 VanDerWaalsContact O-N 3.14Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.04Å
281	S	94.3	Very high	95.4	Very high	68 Å²	68	39.2 Å²	39.2	48%	0.476	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-80.5	-9.9	-177.9	-61.8	0	0	0	0	114.2	A278 A279	A278-S281 PolarHBondContact O-N 3.04Å; A279-S281 PolarHBondContact O-N 2.89Å; A279-S281 VanDerWaalsContact O-N 3.13Å
282	F	95.3	Very high	95.4	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-128.5	15.7	-168.5	-50.2	-77.7	0	0	0	114.6	A278 A279 E280 G284 K285 I286 F288 T340 C343 H344 L347	A278-F282 WeakPolarHBondContact O-CD2 3.29Å; A278-F282 VanDerWaalsContact O-CE2 3.25Å; A278-F282 WeakPolarHBondContact O-CE2 3.19Å; A279-F282 PolarHBondContact O-N 3.45Å; A279-F282 VanDerWaalsContact O-N 3.09Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.04Å; F282-G284 PolarHBondContact O-N 3.12Å; F282-K285 PolarHBondContact O-N 2.85Å; F282-I286 HydrophobicContact CB-CB 4.06Å; F282-I286 HydrophobicContact CB-CG1 4.35Å; F282-I286 HydrophobicContact CD1-CD1 4.14Å; F282-I286 HydrophobicContact CG-CD1 4.34Å; F282-I286 PolarHBondContact O-N 2.77Å; F282-I286 VanDerWaalsContact O-N 3.08Å; F282-F288 HydrophobicContact CB-CE2 3.82Å; F282-F288 AromaticContact CD2-CE2 3.66Å; F282-F288 HydrophobicContact CD2-CE2 3.66Å; F282-F288 AromaticContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CE2-CZ 4.1Å; F282-F288 HydrophobicContact CG-CE2 4.06Å; F282-F288 HydrophobicContact CG-CZ 4.33Å; F282-T340 HydrophobicContact CE2-CG2 4.18Å; F282-T340 HydrophobicContact CZ-CG2 3.89Å; F282-C343 HydrophobicContact CD1-CB 4.03Å; F282-C343 HydrophobicContact CD2-CB 4.18Å; F282-C343 HydrophobicContact CE1-CB 3.44Å; F282-C343 VanDerWaalsContact CE1-CB 3.44Å; F282-C343 HydrophobicContact CE2-CB 3.61Å; F282-C343 HydrophobicContact CG-CB 4.36Å; F282-C343 HydrophobicContact CZ-CB 3.2Å; F282-H344 AromaticContact CE1-CD2 3.61Å; F282-H344 AromaticContact CE1-NE2 3.88Å; F282-H344 AromaticContact CZ-CD2 3.52Å; F282-H344 AromaticContact CZ-NE2 3.94Å; F282-L347 HydrophobicContact CD1-CD1 3.93Å; F282-L347 HydrophobicContact CE1-CD1 4.1Å
283	K	87.1	Confident	95.3	Very high	101 Å²	101	36.7 Å²	36.7	44%	0.439	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	127.2	175.9	-158.3	170.9	-170	168.5	0	110.3	E211 L236 K285	E211-K283 IonicContact OE1-NZ 3.82Å; E211-K283 PolarHBondContact OE1-NZ 3.35Å; E211-K283 IonicContact OE2-NZ 2.76Å; L236-K283 HydrophobicContact CD1-CB 4.25Å; L236-K283 HydrophobicContact CD1-CD 4.09Å; L236-K283 HydrophobicContact CD1-CG 4.01Å; K283-K285 VanDerWaalsContact C-N 3.29Å; K283-K285 PolarHBondContact O-N 2.88Å
284	G	86.2	Confident	95.2	Very high	42 Å²	42	36.4 Å²	36.4	43%	0.433	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-2	-177	0	0	0	0	0	115.8	F282	F282-G284 PolarHBondContact O-N 3.12Å
285	K	92.1	Very high	95.1	Very high	129 Å²	129	38.2 Å²	38.2	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-44	-179.3	-60.7	178.3	-175.5	173.5	0	113	I253 F282 K283	I253-K285 WeakPolarHBondContact CG2-O 3.36Å; F282-K285 PolarHBondContact O-N 2.85Å; K283-K285 VanDerWaalsContact C-N 3.29Å; K283-K285 PolarHBondContact O-N 2.88Å
286	I	95.7	Very high	94.8	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	23%	0.228	C	C	.	.	S	Bend	trans	-132.6	130.3	179.8	-55.7	179.3	0	0	0	107.5	T255 I257 F282 F288 L317 C343 F346 L347	T255-I286 HydrophobicContact CG2-CG1 4.04Å; T255-I286 HydrophobicContact CG2-CG2 4.22Å; T255-I286 WeakPolarHBondContact O-CA 3.48Å; I257-I286 HydrophobicContact CB-CG2 3.91Å; I257-I286 HydrophobicContact CG2-CG2 3.6Å; F282-I286 HydrophobicContact CB-CB 4.06Å; F282-I286 HydrophobicContact CB-CG1 4.35Å; F282-I286 HydrophobicContact CD1-CD1 4.14Å; F282-I286 HydrophobicContact CG-CD1 4.34Å; F282-I286 PolarHBondContact O-N 2.77Å; F282-I286 VanDerWaalsContact O-N 3.08Å; I286-F288 HydrophobicContact CB-CD2 4.44Å; I286-F288 HydrophobicContact CB-CE2 4.05Å; I286-F288 HydrophobicContact CG2-CD2 4.19Å; I286-F288 HydrophobicContact CG2-CE2 3.94Å; I286-L317 HydrophobicContact CD1-CD1 4.38Å; I286-C343 HydrophobicContact CD1-CB 3.84Å; I286-F346 HydrophobicContact CD1-CD1 4.31Å; I286-L347 HydrophobicContact CD1-CD1 4.09Å; I286-L347 HydrophobicContact CD1-CD2 4.26Å; I286-L347 HydrophobicContact CD1-CG 4.11Å; I286-L347 HydrophobicContact CG1-CD2 4.4Å
287	L	95	Very high	94.5	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.115	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.9	175.8	-167.1	60.8	0	0	0	109.6	I238 I248 I253 T255 H256 I257 I289	I238-L287 HydrophobicContact CD1-CD1 3.58Å; I238-L287 HydrophobicContact CD1-CD2 4.06Å; I238-L287 HydrophobicContact CD1-CG 4.01Å; I248-L287 HydrophobicContact CG1-CD2 4.43Å; I248-L287 HydrophobicContact CG2-CD2 4.17Å; I253-L287 HydrophobicContact CB-CB 4.36Å; I253-L287 HydrophobicContact CD1-CD1 4.48Å; I253-L287 HydrophobicContact CG2-CB 4.13Å; T255-L287 PolarHBondContact O-N 2.92Å; H256-L287 WeakPolarHBondContact CA-O 3.31Å; I257-L287 PolarHBondContact N-O 2.71Å; L287-I289 HydrophobicContact CD2-CD1 4.22Å; L287-I289 HydrophobicContact CD2-CG1 4.5Å; L287-I289 HydrophobicContact CG-CD1 4.38Å; L287-I289 HydrophobicContact CG-CG1 4.25Å
288	F	97.7	Very high	94.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.7	179.8	-80.7	-118.1	0	0	0	110.2	V237 I238 I257 F275 A278 A279 F282 I286 I339	V237-F288 WeakPolarHBondContact CA-O 3.16Å; V237-F288 HydrophobicContact CG1-CB 3.96Å; I238-F288 PolarHBondContact N-O 2.78Å; I257-F288 HydrophobicContact CD1-CE1 4.4Å; I257-F288 HydrophobicContact CD1-CZ 4.5Å; I257-F288 HydrophobicContact CG2-CB 4.08Å; I257-F288 HydrophobicContact CG2-CD1 3.58Å; I257-F288 HydrophobicContact CG2-CD2 3.44Å; I257-F288 VanDerWaalsContact CG2-CD2 3.44Å; I257-F288 HydrophobicContact CG2-CE1 3.77Å; I257-F288 HydrophobicContact CG2-CE2 3.61Å; I257-F288 HydrophobicContact CG2-CG 3.41Å; I257-F288 VanDerWaalsContact CG2-CG 3.41Å; I257-F288 HydrophobicContact CG2-CZ 3.77Å; F275-F288 HydrophobicContact CD1-CD1 4.02Å; F275-F288 AromaticContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CE1 4.23Å; F275-F288 HydrophobicContact CE1-CB 3.8Å; F275-F288 AromaticContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CG 4.2Å; F275-F288 AromaticContact CE2-CD1 3.61Å; F275-F288 HydrophobicContact CE2-CD1 3.61Å; F275-F288 AromaticContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CG-CD1 4.18Å; F275-F288 HydrophobicContact CZ-CB 4.07Å; F275-F288 AromaticContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CD1 3.45Å; F275-F288 VanDerWaalsContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CE1 4.25Å; F275-F288 HydrophobicContact CZ-CG 4.09Å; A278-F288 HydrophobicContact CB-CE1 4.08Å; A279-F288 HydrophobicContact CB-CB 3.87Å; A279-F288 HydrophobicContact CB-CD1 3.46Å; A279-F288 VanDerWaalsContact CB-CD1 3.46Å; A279-F288 HydrophobicContact CB-CD2 3.8Å; A279-F288 HydrophobicContact CB-CE1 3.88Å; A279-F288 HydrophobicContact CB-CE2 4.22Å; A279-F288 HydrophobicContact CB-CG 3.42Å; A279-F288 VanDerWaalsContact CB-CG 3.42Å; A279-F288 HydrophobicContact CB-CZ 4.25Å; F282-F288 HydrophobicContact CB-CE2 3.82Å; F282-F288 AromaticContact CD2-CE2 3.66Å; F282-F288 HydrophobicContact CD2-CE2 3.66Å; F282-F288 AromaticContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CE2-CZ 4.1Å; F282-F288 HydrophobicContact CG-CE2 4.06Å; F282-F288 HydrophobicContact CG-CZ 4.33Å; I286-F288 HydrophobicContact CB-CD2 4.44Å; I286-F288 HydrophobicContact CB-CE2 4.05Å; I286-F288 HydrophobicContact CG2-CD2 4.19Å; I286-F288 HydrophobicContact CG2-CE2 3.94Å; F288-I339 HydrophobicContact CE1-CG2 3.97Å
289	I	97.7	Very high	93.8	Very high	3 Å²	3	47 Å²	47	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	-176.9	-62.2	167.9	0	0	0	108.3	I238 F240 I248 H256 I257 L258 L259 F275 L287	I238-I289 CarbonylContact O-C 3.53Å; I238-I289 VanDerWaalsContact O-CA 3.26Å; I238-I289 WeakPolarHBondContact O-CA 3.36Å; F240-I289 HydrophobicContact CB-CG2 3.73Å; I248-I289 HydrophobicContact CB-CD1 4.43Å; I248-I289 HydrophobicContact CD1-CD1 3.96Å; I248-I289 HydrophobicContact CD1-CG1 4.26Å; I248-I289 HydrophobicContact CD1-CG2 4.38Å; I248-I289 HydrophobicContact CG1-CD1 4.11Å; I248-I289 HydrophobicContact CG2-CD1 3.48Å; I248-I289 VanDerWaalsContact CG2-CD1 3.48Å; H256-I289 HydrophobicContact CB-CD1 4.39Å; I257-I289 PolarHBondContact O-N 3.44Å; L258-I289 CarbonylContact C-O 3.53Å; L258-I289 VanDerWaalsContact CA-O 3.31Å; L258-I289 WeakPolarHBondContact CA-O 3.47Å; L258-I289 HydrophobicContact CG-CB 4.35Å; L259-I289 PolarHBondContact N-O 2.81Å; F275-I289 VanDerWaalsContact CE1-O 3.31Å; F275-I289 WeakPolarHBondContact CE1-O 3.44Å; F275-I289 WeakPolarHBondContact CZ-O 3.32Å; L287-I289 HydrophobicContact CD2-CD1 4.22Å; L287-I289 HydrophobicContact CD2-CG1 4.5Å; L287-I289 HydrophobicContact CG-CD1 4.38Å; L287-I289 HydrophobicContact CG-CG1 4.25Å
290	F	97.8	Very high	93.3	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.1	165.6	75	-81.4	0	0	0	110	I238 E239 F240 L259 Y268 L272	I238-F290 WeakPolarHBondContact O-CD1 3.33Å; I238-F290 PolarHBondContact O-N 3.38Å; E239-F290 CarbonylContact C-O 3.55Å; E239-F290 VanDerWaalsContact CA-CE1 3.44Å; E239-F290 WeakPolarHBondContact CA-O 3.19Å; E239-F290 HydrophobicContact CB-CD1 4.33Å; E239-F290 HydrophobicContact CB-CE1 3.56Å; E239-F290 HydrophobicContact CB-CE2 3.85Å; E239-F290 HydrophobicContact CB-CZ 3.29Å; E239-F290 VanDerWaalsContact CD-CE2 3.47Å; E239-F290 HydrophobicContact CG-CD2 4.18Å; E239-F290 HydrophobicContact CG-CE1 4.15Å; E239-F290 HydrophobicContact CG-CE2 3.45Å; E239-F290 VanDerWaalsContact CG-CE2 3.45Å; E239-F290 HydrophobicContact CG-CZ 3.46Å; E239-F290 VanDerWaalsContact CG-CZ 3.46Å; F240-F290 PolarHBondContact N-O 3.11Å; L259-F290 HydrophobicContact CB-CB 4.18Å; L259-F290 HydrophobicContact CD2-CB 4.44Å; L259-F290 CarbonylContact O-C 3.47Å; L259-F290 VanDerWaalsContact O-CA 3.22Å; L259-F290 WeakPolarHBondContact O-CA 3.01Å; Y268-F290 WeakPolarHBondContact OH-CE2 3.37Å; L272-F290 HydrophobicContact CD1-CB 4.14Å; L272-F290 HydrophobicContact CD1-CD1 3.83Å; L272-F290 HydrophobicContact CD1-CD2 4.28Å; L272-F290 HydrophobicContact CD1-CE1 4.26Å; L272-F290 HydrophobicContact CD1-CG 3.82Å; L272-F290 HydrophobicContact CD2-CZ 4.45Å
291	I	97.3	Very high	93.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.3	-175.1	-176.6	172.8	0	0	0	109.3	F240 L259 F260 L261 S293 N298 I301	F240-I291 HydrophobicContact CB-CB 3.98Å; F240-I291 HydrophobicContact CB-CD1 4.34Å; F240-I291 HydrophobicContact CB-CG1 4.09Å; F240-I291 HydrophobicContact CD1-CD1 3.84Å; F240-I291 HydrophobicContact CD1-CG1 4.22Å; F240-I291 HydrophobicContact CG-CD1 4.21Å; F240-I291 HydrophobicContact CG-CG1 4.46Å; L259-I291 PolarHBondContact O-N 3.38Å; F260-I291 HydrophobicContact CB-CG2 4.2Å; F260-I291 HydrophobicContact CD1-CG2 3.3Å; F260-I291 HydrophobicContact CD2-CG2 4.39Å; F260-I291 HydrophobicContact CE1-CD1 4.42Å; F260-I291 HydrophobicContact CE1-CG2 3.63Å; F260-I291 HydrophobicContact CG-CG2 3.73Å; F260-I291 HydrophobicContact CZ-CG2 4.28Å; L261-I291 PolarHBondContact N-O 2.95Å; I291-S293 PolarHBondContact O-N 3.03Å; I291-N298 HydrophobicContact CD1-CB 3.74Å; I291-N298 HydrophobicContact CG1-CB 3.94Å; I291-N298 WeakPolarHBondContact CG1-ND2 3.24Å; I291-I301 HydrophobicContact CD1-CB 3.93Å; I291-I301 HydrophobicContact CD1-CD1 3.69Å; I291-I301 HydrophobicContact CD1-CG1 4.37Å; I291-I301 HydrophobicContact CD1-CG2 3.81Å
292	D	97.3	Very high	92.9	Very high	20 Å²	20	49.3 Å²	49.3	11%	0.107	24%	0.243	C	C	.	.			trans	-73	106.3	174.7	-179.5	15.8	0	0	0	110.5	K263 D294 H295 N298	K263-D292 HydrophobicContact CG-CB 4.06Å; K263-D292 WeakPolarHBondContact CG-OD1 3.46Å; K263-D292 VanDerWaalsContact CG-OD2 3.3Å; K263-D292 WeakPolarHBondContact CG-OD2 3.31Å; K263-D292 PolarHBondContact N-OD1 3.24Å; K263-D292 VanDerWaalsContact N-OD1 3.16Å; D292-D294 PolarHBondContact O-N 2.82Å; D292-D294 WeakPolarHBondContact OD1-CB 3.42Å; D292-D294 PolarHBondContact OD1-N 2.88Å; D292-H295 HydrophobicContact CB-CB 4.27Å; D292-H295 PolarHBondContact O-N 2.81Å; D292-N298 WeakPolarHBondContact O-CB 3.37Å; D292-N298 PolarHBondContact O-ND2 3.19Å
293	S	95.8	Very high	92.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	26%	0.264	C	S	.	.	S	Bend	trans	-73.9	-11.7	178.6	54.9	0	0	0	0	114	P262 I291 K309 C312	P262-S293 VanDerWaalsContact CA-OG 3.28Å; P262-S293 WeakPolarHBondContact CA-OG 3.26Å; P262-S293 VanDerWaalsContact CB-OG 3.3Å; P262-S293 WeakPolarHBondContact CB-OG 3.22Å; P262-S293 VanDerWaalsContact CD-OG 3.3Å; P262-S293 WeakPolarHBondContact CD-OG 3.44Å; P262-S293 WeakPolarHBondContact CG-OG 3.32Å; P262-S293 VanDerWaalsContact N-OG 3.13Å; I291-S293 PolarHBondContact O-N 3.03Å; S293-K309 WeakPolarHBondContact O-CE 3.31Å; S293-C312 WeakPolarHBondContact OG-CB 3.23Å
294	D	95.2	Very high	92.4	Very high	60 Å²	60	52.3 Å²	52.3	32%	0.321	26%	0.258	S	S	.	.	S	Bend	trans	-78.4	-33.9	175.1	-69.3	-35	0	0	0	111.4	P262 K263 S264 D292 K309	P262-D294 WeakPolarHBondContact CB-OD1 3.21Å; P262-D294 VanDerWaalsContact CB-OD2 3.22Å; P262-D294 WeakPolarHBondContact CB-OD2 3.31Å; K263-D294 PolarHBondContact N-OD2 3.22Å; K263-D294 VanDerWaalsContact N-OD2 3.16Å; S264-D294 WeakPolarHBondContact CB-OD2 3.49Å; S264-D294 PolarHBondContact N-OD2 3.05Å; S264-D294 PolarHBondContact OG-OD1 3.42Å; S264-D294 PolarHBondContact OG-OD2 2.86Å; D292-D294 PolarHBondContact O-N 2.82Å; D292-D294 WeakPolarHBondContact OD1-CB 3.42Å; D292-D294 PolarHBondContact OD1-N 2.88Å; D294-K309 PolarHBondContact O-NZ 3.48Å; D294-K309 VanDerWaalsContact O-NZ 3.09Å
295	H	94	Very high	92.4	Very high	91 Å²	91	50.7 Å²	50.7	42%	0.421	24%	0.239	S	C	.	.	S	Bend	trans	-63.6	130.3	-177.9	-154.3	-80.5	0	0	0	112.1	D292 D297 N298	D292-H295 HydrophobicContact CB-CB 4.27Å; D292-H295 PolarHBondContact O-N 2.81Å; H295-D297 VanDerWaalsContact C-N 3.32Å; H295-D297 VanDerWaalsContact CE1-CG 3.45Å; H295-D297 IonicContact CE1-OD1 3.86Å; H295-D297 IonicContact CE1-OD2 2.9Å; H295-D297 PolarHBondContact CE1-OD2 3.3Å; H295-D297 WeakPolarHBondContact ND1-CB 3.42Å; H295-D297 PolarHBondContact ND1-N 2.99Å; H295-D297 IonicContact ND1-OD1 3.98Å; H295-D297 IonicContact ND1-OD2 2.61Å; H295-D297 PolarHBondContact O-N 3.27Å; H295-N298 PolarHBondContact O-N 2.91Å
296	T	91.9	Very high	92.1	Very high	94 Å²	94	46.2 Å²	46.2	58%	0.577	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-64.7	-35.5	-175.8	46.1	0	0	0	0	113	N298 Q299	T296-N298 PolarHBondContact O-N 3.18Å; T296-N298 VanDerWaalsContact O-N 3.14Å; T296-Q299 WeakPolarHBondContact O-CB 3.45Å; T296-Q299 PolarHBondContact O-N 3.34Å
297	D	89.9	Confident	91.7	Very high	101 Å²	101	46.4 Å²	46.4	54%	0.54	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.5	-22	-178.4	-57.2	-0.6	0	0	0	111.9	H295	H295-D297 VanDerWaalsContact C-N 3.32Å; H295-D297 VanDerWaalsContact CE1-CG 3.45Å; H295-D297 IonicContact CE1-OD1 3.86Å; H295-D297 IonicContact CE1-OD2 2.9Å; H295-D297 PolarHBondContact CE1-OD2 3.3Å; H295-D297 WeakPolarHBondContact ND1-CB 3.42Å; H295-D297 PolarHBondContact ND1-N 2.99Å; H295-D297 IonicContact ND1-OD1 3.98Å; H295-D297 IonicContact ND1-OD2 2.61Å; H295-D297 PolarHBondContact O-N 3.27Å
298	N	91.9	Very high	91.4	Very high	14 Å²	14	51.6 Å²	51.6	8%	0.075	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-86.8	-5.7	178.2	-66.6	-26.3	0	0	0	113.3	I291 D292 H295 T296 R300 I301 L302	I291-N298 HydrophobicContact CD1-CB 3.74Å; I291-N298 HydrophobicContact CG1-CB 3.94Å; I291-N298 WeakPolarHBondContact CG1-ND2 3.24Å; D292-N298 WeakPolarHBondContact O-CB 3.37Å; D292-N298 PolarHBondContact O-ND2 3.19Å; H295-N298 PolarHBondContact O-N 2.91Å; T296-N298 PolarHBondContact O-N 3.18Å; T296-N298 VanDerWaalsContact O-N 3.14Å; N298-R300 VanDerWaalsContact C-N 3.3Å; N298-R300 PolarHBondContact O-N 3.17Å; N298-I301 WeakPolarHBondContact O-CB 3.43Å; N298-I301 PolarHBondContact O-N 2.94Å; N298-L302 HydrophobicContact CB-CD1 4.36Å; N298-L302 WeakPolarHBondContact O-CD1 3.37Å; N298-L302 PolarHBondContact O-N 2.89Å
299	Q	88.7	Confident	91	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-38.9	-174.7	-175.4	178.1	-35	0	0	112.7	T296 I301 L302 E303	T296-Q299 WeakPolarHBondContact O-CB 3.45Å; T296-Q299 PolarHBondContact O-N 3.34Å; Q299-I301 PolarHBondContact O-N 3.25Å; Q299-L302 WeakPolarHBondContact O-CB 3.08Å; Q299-L302 PolarHBondContact O-N 2.57Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.37Å; Q299-E303 PolarHBondContact NE2-OE1 3.18Å; Q299-E303 WeakPolarHBondContact O-CG 3.44Å; Q299-E303 PolarHBondContact O-N 2.79Å
300	R	85.6	Confident	90.7	Very high	204 Å²	204	62.2 Å²	62.2	77%	0.77	30%	0.301	S	S	*	.	H	α-helix	trans	-61.6	-32.4	176.5	-71	-177.2	179.5	173.7	1.2	112.7	N298 F304	N298-R300 VanDerWaalsContact C-N 3.3Å; N298-R300 PolarHBondContact O-N 3.17Å; R300-F304 WeakPolarHBondContact O-CB 3.24Å; R300-F304 PolarHBondContact O-N 3.08Å
301	I	89.1	Confident	90.3	Very high	36 Å²	36	66.2 Å²	66.2	19%	0.185	32%	0.32	C	S	.	.	H	α-helix	trans	-72.7	-41.4	177.9	-58.7	-179.1	0	0	0	109.7	F240 L258 F260 I291 N298 Q299 E303 F304 F305	F240-I301 HydrophobicContact CD1-CD1 3.7Å; F240-I301 HydrophobicContact CE1-CD1 3.09Å; F240-I301 HydrophobicContact CE2-CD1 4.13Å; F240-I301 HydrophobicContact CG-CD1 4.43Å; F240-I301 HydrophobicContact CZ-CD1 3.34Å; L258-I301 HydrophobicContact CD2-CG2 4.45Å; F260-I301 HydrophobicContact CE1-CG2 3.96Å; F260-I301 HydrophobicContact CZ-CG2 4.13Å; I291-I301 HydrophobicContact CD1-CB 3.93Å; I291-I301 HydrophobicContact CD1-CD1 3.69Å; I291-I301 HydrophobicContact CD1-CG1 4.37Å; I291-I301 HydrophobicContact CD1-CG2 3.81Å; N298-I301 WeakPolarHBondContact O-CB 3.43Å; N298-I301 PolarHBondContact O-N 2.94Å; Q299-I301 PolarHBondContact O-N 3.25Å; I301-E303 VanDerWaalsContact C-N 3.32Å; I301-E303 PolarHBondContact O-N 2.86Å; I301-F304 PolarHBondContact O-N 3.17Å; I301-F305 HydrophobicContact CG2-CD2 3.95Å; I301-F305 HydrophobicContact CG2-CE2 4.07Å; I301-F305 WeakPolarHBondContact O-CD2 3.45Å; I301-F305 PolarHBondContact O-N 3.4Å
302	L	90.5	Very high	90.2	Very high	4 Å²	4	67 Å²	67	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-48.4	172.7	-85.2	75	0	0	0	110.9	F260 N298 Q299 F304 F305 G306 L307 K309	F260-L302 HydrophobicContact CD1-CD1 3.75Å; F260-L302 HydrophobicContact CD1-CG 3.95Å; F260-L302 HydrophobicContact CE1-CD1 3.91Å; F260-L302 HydrophobicContact CE1-CG 4.14Å; N298-L302 HydrophobicContact CB-CD1 4.36Å; N298-L302 WeakPolarHBondContact O-CD1 3.37Å; N298-L302 PolarHBondContact O-N 2.89Å; Q299-L302 WeakPolarHBondContact O-CB 3.08Å; Q299-L302 PolarHBondContact O-N 2.57Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 3.07Å; L302-F305 CarbonylContact O-C 3.6Å; L302-F305 PolarHBondContact O-N 3.02Å; L302-F305 VanDerWaalsContact O-N 3.11Å; L302-G306 PolarHBondContact O-N 3.4Å; L302-L307 CarbonylContact C-O 3.55Å; L302-L307 HydrophobicContact CB-CB 4.4Å; L302-L307 HydrophobicContact CG-CB 4.46Å; L302-L307 PolarHBondContact O-N 3.32Å; L302-K309 HydrophobicContact CD2-CG 4.05Å
303	E	86.2	Confident	90.2	Very high	96 Å²	96	67.7 Å²	67.7	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-44.4	177.5	-71.1	166.9	-171.5	0	0	111.6	Q299 I301 F305 G306 M356	Q299-E303 WeakPolarHBondContact CG-OE1 3.37Å; Q299-E303 PolarHBondContact NE2-OE1 3.18Å; Q299-E303 WeakPolarHBondContact O-CG 3.44Å; Q299-E303 PolarHBondContact O-N 2.79Å; I301-E303 VanDerWaalsContact C-N 3.32Å; I301-E303 PolarHBondContact O-N 2.86Å; E303-F305 VanDerWaalsContact C-N 3.26Å; E303-F305 PolarHBondContact O-N 3.36Å; E303-G306 PolarHBondContact O-N 3.07Å; E303-M356 WeakPolarHBondContact O-CE 3.39Å
304	F	84	Confident	90.2	Very high	73 Å²	73	67.8 Å²	67.8	32%	0.32	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-31.8	176.5	178.4	-104.3	0	0	0	113.4	R300 I301 L302 I318 K326	R300-F304 WeakPolarHBondContact O-CB 3.24Å; R300-F304 PolarHBondContact O-N 3.08Å; I301-F304 PolarHBondContact O-N 3.17Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 3.07Å; F304-I318 HydrophobicContact CE1-CD1 3.71Å; F304-I318 HydrophobicContact CZ-CD1 4.14Å; F304-K326 VanDerWaalsContact CZ-CE 3.42Å; F304-K326 VanDerWaalsContact O-CE 3.3Å; F304-K326 WeakPolarHBondContact O-CE 3.28Å; F304-K326 PolarHBondContact O-NZ 2.61Å
305	F	88	Confident	90.3	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.035	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.6	175.4	-80.1	-84.7	0	0	0	114	L258 F260 I301 L302 E303 L307 R316 I318 K326	L258-F305 HydrophobicContact CD1-CZ 4.08Å; L258-F305 HydrophobicContact CD2-CE2 3.73Å; L258-F305 HydrophobicContact CD2-CZ 3.94Å; F260-F305 HydrophobicContact CE2-CB 4.31Å; F260-F305 HydrophobicContact CE2-CD2 4.31Å; F260-F305 HydrophobicContact CE2-CG 4.17Å; F260-F305 HydrophobicContact CZ-CB 3.95Å; F260-F305 AromaticContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CE2 4.19Å; F260-F305 AromaticContact CZ-CG 3.8Å; F260-F305 HydrophobicContact CZ-CG 3.8Å; I301-F305 HydrophobicContact CG2-CD2 3.95Å; I301-F305 HydrophobicContact CG2-CE2 4.07Å; I301-F305 WeakPolarHBondContact O-CD2 3.45Å; I301-F305 PolarHBondContact O-N 3.4Å; L302-F305 CarbonylContact O-C 3.6Å; L302-F305 PolarHBondContact O-N 3.02Å; L302-F305 VanDerWaalsContact O-N 3.11Å; E303-F305 VanDerWaalsContact C-N 3.26Å; E303-F305 PolarHBondContact O-N 3.36Å; F305-L307 VanDerWaalsContact C-N 3.25Å; F305-L307 HydrophobicContact CB-CD1 4.29Å; F305-L307 PolarHBondContact O-N 3.49Å; F305-R316 HydrophobicContact CB-CG 4.3Å; F305-R316 HydrophobicContact CD1-CB 3.5Å; F305-R316 VanDerWaalsContact CD1-CB 3.5Å; F305-R316 HydrophobicContact CD1-CG 3.75Å; F305-R316 HydrophobicContact CE1-CB 3.75Å; F305-R316 HydrophobicContact CE1-CG 4.49Å; F305-R316 HydrophobicContact CG-CB 4.38Å; F305-R316 HydrophobicContact CG-CG 4.33Å; F305-I318 HydrophobicContact CE1-CB 4.03Å; F305-I318 HydrophobicContact CE1-CD1 4.45Å; F305-I318 HydrophobicContact CE1-CG2 4.33Å; F305-I318 HydrophobicContact CZ-CB 4.03Å; F305-I318 HydrophobicContact CZ-CD1 4.12Å; F305-I318 HydrophobicContact CZ-CG2 3.89Å; F305-K326 HydrophobicContact CD1-CD 4.16Å; F305-K326 HydrophobicContact CD1-CG 4.34Å; F305-K326 HydrophobicContact CE1-CD 4.42Å; F305-K326 HydrophobicContact CE1-CG 4.2Å
306	G	84.4	Confident	90.3	Very high	35 Å²	35	61.7 Å²	61.7	36%	0.361	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	30.6	177.5	0	0	0	0	0	112.9	L302 E303 M356	L302-G306 PolarHBondContact O-N 3.4Å; E303-G306 PolarHBondContact O-N 3.07Å; G306-M356 PolarHBondContact N-SD 3.38Å
307	L	88.1	Confident	90.5	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.042	27%	0.273	C	S	.	.			trans	-105.1	139.6	-179.7	-78.2	170.6	0	0	0	110.5	F260 L302 F305 E311 A314 R316	F260-L307 HydrophobicContact CB-CD1 4.35Å; F260-L307 HydrophobicContact CD1-CD1 4.12Å; F260-L307 HydrophobicContact CD2-CD1 3.34Å; F260-L307 HydrophobicContact CE1-CD1 4.29Å; F260-L307 HydrophobicContact CE2-CD1 3.55Å; F260-L307 HydrophobicContact CG-CD1 3.67Å; F260-L307 HydrophobicContact CZ-CD1 4.04Å; L302-L307 CarbonylContact C-O 3.55Å; L302-L307 HydrophobicContact CB-CB 4.4Å; L302-L307 HydrophobicContact CG-CB 4.46Å; L302-L307 PolarHBondContact O-N 3.32Å; F305-L307 VanDerWaalsContact C-N 3.25Å; F305-L307 HydrophobicContact CB-CD1 4.29Å; F305-L307 PolarHBondContact O-N 3.49Å; L307-E311 HydrophobicContact CD2-CB 4.1Å; L307-A314 HydrophobicContact CD1-CB 4.07Å; L307-A314 HydrophobicContact CD2-CB 3.83Å; L307-R316 HydrophobicContact CD1-CG 4.06Å; L307-R316 VanDerWaalsContact CD2-NH2 3.3Å
308	K	88	Confident	90.7	Very high	132 Å²	132	52.7 Å²	52.7	57%	0.574	25%	0.249	S	C	*	.			trans	-98.4	164	163.9	-57.2	177.9	-178.7	170.1	0	110.7	E310 E311 C312	K308-E310 VanDerWaalsContact C-N 3.26Å; K308-E310 WeakPolarHBondContact CB-OE1 3.36Å; K308-E310 WeakPolarHBondContact CB-OE2 3.39Å; K308-E310 WeakPolarHBondContact CD-OE2 3.4Å; K308-E310 PolarHBondContact O-N 3.42Å; K308-E311 HydrophobicContact CB-CG 4.33Å; K308-E311 PolarHBondContact N-OE2 2.88Å; K308-E311 PolarHBondContact O-N 3.42Å; K308-C312 PolarHBondContact O-SG 3Å
309	K	90.6	Very high	90.7	Very high	80 Å²	80	52.9 Å²	52.9	35%	0.348	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.8	-37.2	-178.2	-71.7	-167.9	175	-167.5	0	111.7	S293 D294 L302 E311 C312	S293-K309 WeakPolarHBondContact O-CE 3.31Å; D294-K309 PolarHBondContact O-NZ 3.48Å; D294-K309 VanDerWaalsContact O-NZ 3.09Å; L302-K309 HydrophobicContact CD2-CG 4.05Å; K309-E311 PolarHBondContact O-N 3.48Å; K309-C312 WeakPolarHBondContact O-CB 3.3Å; K309-C312 PolarHBondContact O-N 2.9Å; K309-C312 VanDerWaalsContact O-N 3.17Å
310	E	90.1	Very high	90.5	Very high	147 Å²	147	50.7 Å²	50.7	69%	0.687	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-70.1	-20.5	-179.3	-22.7	71	-121.6	0	0	113.4	K308 C312	K308-E310 VanDerWaalsContact C-N 3.26Å; K308-E310 WeakPolarHBondContact CB-OE1 3.36Å; K308-E310 WeakPolarHBondContact CB-OE2 3.39Å; K308-E310 WeakPolarHBondContact CD-OE2 3.4Å; K308-E310 PolarHBondContact O-N 3.42Å; E310-C312 VanDerWaalsContact C-N 3.29Å
311	E	90.5	Very high	90.1	Very high	100 Å²	100	47.1 Å²	47.1	47%	0.467	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-84.4	-7.9	176.1	-62.5	178.3	124.3	0	0	112	L307 K308 K309	L307-E311 HydrophobicContact CD2-CB 4.1Å; K308-E311 HydrophobicContact CB-CG 4.33Å; K308-E311 PolarHBondContact N-OE2 2.88Å; K308-E311 PolarHBondContact O-N 3.42Å; K309-E311 PolarHBondContact O-N 3.48Å
312	C	94.7	Very high	89	Confident	16 Å²	16	54 Å²	54	11%	0.108	27%	0.265	C	S	.	.			trans	-84.9	142.5	175.4	-59.9	0	0	0	0	110.5	P262 S293 K308 K309 E310	P262-C312 HydrophobicContact CG-CB 3.99Å; S293-C312 WeakPolarHBondContact OG-CB 3.23Å; K308-C312 PolarHBondContact O-SG 3Å; K309-C312 WeakPolarHBondContact O-CB 3.3Å; K309-C312 PolarHBondContact O-N 2.9Å; K309-C312 VanDerWaalsContact O-N 3.17Å; E310-C312 VanDerWaalsContact C-N 3.29Å
313	P	96.2	Very high	87.9	Confident	34 Å²	34	59.8 Å²	59.8	22%	0.221	29%	0.292	C	S	.	.	S	Bend	cis	-81.5	141.6	11.1	33	-36.3	0	0	0	114.1	F260 L261 V265 K271 L334	F260-P313 CarbonylContact O-C 3.59Å; F260-P313 WeakPolarHBondContact O-CA 3.28Å; F260-P313 WeakPolarHBondContact O-CB 3.37Å; L261-P313 HydrophobicContact CD1-CB 3.84Å; V265-P313 HydrophobicContact CG2-CG 4.13Å; K271-P313 HydrophobicContact CD-CG 4.3Å; P313-L334 HydrophobicContact CB-CD1 3.73Å; P313-L334 HydrophobicContact CG-CD1 3.82Å
314	A	96.1	Very high	87.6	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.9	-177.4	0	0	0	0	0	111.8	F260 L307	F260-A314 PolarHBondContact N-O 3.29Å; F260-A314 PolarHBondContact O-N 3.32Å; F260-A314 VanDerWaalsContact O-N 3.08Å; L307-A314 HydrophobicContact CD1-CB 4.07Å; L307-A314 HydrophobicContact CD2-CB 3.83Å
315	V	97.1	Very high	87.7	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.6	174.1	170.3	0	0	0	0	110.2	I257 L258 L259 F275 P329 L334 F342	I257-V315 HydrophobicContact CD1-CG1 3.67Å; I257-V315 HydrophobicContact CG1-CG1 3.66Å; L258-V315 CarbonylContact O-C 3.49Å; L258-V315 VanDerWaalsContact O-CA 3.32Å; L258-V315 WeakPolarHBondContact O-CA 3.47Å; L259-V315 HydrophobicContact CB-CG2 4.35Å; L259-V315 HydrophobicContact CD1-CG2 3.56Å; F275-V315 HydrophobicContact CE2-CG2 4.49Å; V315-P329 HydrophobicContact CB-CG 4.09Å; V315-P329 HydrophobicContact CG1-CG 4.09Å; V315-P329 WeakPolarHBondContact O-CD 3.26Å; V315-L334 HydrophobicContact CB-CD2 4.33Å; V315-L334 HydrophobicContact CG2-CD2 3.64Å; V315-F342 HydrophobicContact CG1-CD1 4.3Å; V315-F342 HydrophobicContact CG1-CE1 4.06Å
316	R	95.5	Very high	87.8	Confident	19 Å²	19	57 Å²	57	7%	0.072	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.7	170.6	-64.4	-67.6	-179.2	-88.6	2.3	109.6	I257 L258 F260 F305 L307 Y327	I257-R316 CarbonylContact C-O 3.57Å; I257-R316 WeakPolarHBondContact CA-O 3.3Å; L258-R316 PolarHBondContact N-O 2.86Å; L258-R316 PolarHBondContact O-N 3.45Å; F260-R316 HydrophobicContact CE2-CB 4.14Å; F260-R316 HydrophobicContact CE2-CG 4.03Å; F305-R316 HydrophobicContact CB-CG 4.3Å; F305-R316 HydrophobicContact CD1-CB 3.5Å; F305-R316 VanDerWaalsContact CD1-CB 3.5Å; F305-R316 HydrophobicContact CD1-CG 3.75Å; F305-R316 HydrophobicContact CE1-CB 3.75Å; F305-R316 HydrophobicContact CE1-CG 4.49Å; F305-R316 HydrophobicContact CG-CB 4.38Å; F305-R316 HydrophobicContact CG-CG 4.33Å; L307-R316 HydrophobicContact CD1-CG 4.06Å; L307-R316 VanDerWaalsContact CD2-NH2 3.3Å; R316-Y327 WeakPolarHBondContact CA-O 3.32Å
317	L	95.7	Very high	88.2	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142	172.7	-171	155.9	0	0	0	108.4	T255 H256 I257 I286 K326 Y327 F342 F346	T255-L317 HydrophobicContact CG2-CD1 4.43Å; T255-L317 HydrophobicContact CG2-CD2 3.75Å; T255-L317 HydrophobicContact CG2-CG 4.21Å; H256-L317 CarbonylContact O-C 3.57Å; H256-L317 VanDerWaalsContact O-CA 3.28Å; H256-L317 WeakPolarHBondContact O-CA 3.49Å; H256-L317 WeakPolarHBondContact O-CG 3.49Å; I257-L317 HydrophobicContact CB-CD1 4.42Å; I257-L317 HydrophobicContact CB-CG 4.45Å; I286-L317 HydrophobicContact CD1-CD1 4.38Å; L317-K326 CarbonylContact O-C 3.53Å; L317-K326 WeakPolarHBondContact O-CA 3.25Å; L317-Y327 HydrophobicContact CD2-CD2 3.8Å; L317-Y327 HydrophobicContact CD2-CE2 4.43Å; L317-Y327 PolarHBondContact N-O 2.8Å; L317-Y327 PolarHBondContact O-N 3.45Å; L317-F342 HydrophobicContact CB-CE1 3.74Å; L317-F342 HydrophobicContact CB-CZ 3.68Å; L317-F342 HydrophobicContact CD1-CE1 4.06Å; L317-F342 HydrophobicContact CD1-CZ 4.3Å; L317-F346 HydrophobicContact CD1-CB 4.16Å; L317-F346 HydrophobicContact CD1-CD1 3.67Å; L317-F346 HydrophobicContact CD1-CD2 4.31Å; L317-F346 HydrophobicContact CD1-CE1 4.24Å; L317-F346 HydrophobicContact CD1-CG 3.73Å; L317-F346 HydrophobicContact CD2-CD1 3.91Å; L317-F346 HydrophobicContact CD2-CD2 3.6Å; L317-F346 HydrophobicContact CD2-CE1 3.79Å; L317-F346 HydrophobicContact CD2-CE2 3.44Å; L317-F346 VanDerWaalsContact CD2-CE2 3.44Å; L317-F346 HydrophobicContact CD2-CG 3.85Å; L317-F346 HydrophobicContact CD2-CZ 3.55Å; L317-F346 HydrophobicContact CG-CD1 4.48Å; L317-F346 HydrophobicContact CG-CG 4.46Å
318	I	93.2	Very high	88.4	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141	177.3	-172.4	168.1	0	0	0	110.2	H256 L258 F304 F305 L320 T325 K326	H256-I318 HydrophobicContact CB-CG2 3.8Å; H256-I318 PolarHBondContact N-O 3.39Å; H256-I318 PolarHBondContact O-N 3.14Å; L258-I318 HydrophobicContact CD1-CG2 4Å; F304-I318 HydrophobicContact CE1-CD1 3.71Å; F304-I318 HydrophobicContact CZ-CD1 4.14Å; F305-I318 HydrophobicContact CE1-CB 4.03Å; F305-I318 HydrophobicContact CE1-CD1 4.45Å; F305-I318 HydrophobicContact CE1-CG2 4.33Å; F305-I318 HydrophobicContact CZ-CB 4.03Å; F305-I318 HydrophobicContact CZ-CD1 4.12Å; F305-I318 HydrophobicContact CZ-CG2 3.89Å; I318-L320 HydrophobicContact CD1-CD2 3.86Å; I318-L320 HydrophobicContact CG1-CD2 4.04Å; I318-L320 HydrophobicContact CG2-CD2 4.26Å; I318-T325 WeakPolarHBondContact CA-O 3.41Å; I318-K326 HydrophobicContact CD1-CG 4.19Å; I318-K326 HydrophobicContact CG1-CG 4.32Å
319	T	91.6	Very high	88.6	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.117	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.8	165	51.4	0	0	0	0	108.6	T255 E321 M324 T325 Y327 F346	T255-T319 HydrophobicContact CG2-CG2 4.4Å; T319-E321 VanDerWaalsContact C-N 3.28Å; T319-E321 PolarHBondContact O-N 3.24Å; T319-M324 CarbonylContact O-C 3.45Å; T319-M324 WeakPolarHBondContact O-CA 3.46Å; T319-T325 PolarHBondContact N-O 3.06Å; T319-T325 VanDerWaalsContact N-O 3.11Å; T319-T325 PolarHBondContact O-N 2.95Å; T319-T325 PolarHBondContact OG1-N 3.16Å; T319-Y327 HydrophobicContact CG2-CE2 4.32Å; T319-F346 HydrophobicContact CG2-CE2 4Å; T319-F346 HydrophobicContact CG2-CZ 3.57Å
320	L	84.7	Confident	88.4	Confident	40 Å²	40	56.9 Å²	56.9	21%	0.209	27%	0.274	C	S	.	.			trans	-94.4	26.4	178.6	-58.9	-176.1	0	0	0	112.6	F249 K254 H256 I318	F249-L320 HydrophobicContact CD1-CD1 3.83Å; F249-L320 HydrophobicContact CE1-CD1 4.12Å; K254-L320 HydrophobicContact CB-CB 4.39Å; K254-L320 PolarHBondContact O-N 3.4Å; H256-L320 WeakPolarHBondContact CE1-CD1 3.49Å; H256-L320 WeakPolarHBondContact ND1-CD1 3.39Å; I318-L320 HydrophobicContact CD1-CD2 3.86Å; I318-L320 HydrophobicContact CG1-CD2 4.04Å; I318-L320 HydrophobicContact CG2-CD2 4.26Å
321	E	78.4	Confident	88.1	Confident	130 Å²	130	51.3 Å²	51.3	61%	0.607	25%	0.251	S	S	*	.	S	Bend	trans	-81.4	-173.8	168.9	-63.8	-178.8	176.3	0	0	109.3	K254 T319 E323 M324	K254-E321 HydrophobicContact CB-CG 4.03Å; K254-E321 HydrophobicContact CG-CG 4.5Å; T319-E321 VanDerWaalsContact C-N 3.28Å; T319-E321 PolarHBondContact O-N 3.24Å; E321-E323 PolarHBondContact O-N 3.46Å; E321-M324 PolarHBondContact O-N 3.47Å; E321-M324 VanDerWaalsContact O-N 3.12Å
322	E	65	Low	87.8	Confident	180 Å²	180	52.9 Å²	52.9	84%	0.841	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-34.8	-171.4	-67.9	174.7	-176.5	0	0	114.1
323	E	67	Low	87.6	Confident	125 Å²	125	57.3 Å²	57.3	58%	0.584	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	5.5	-172.1	-59	-173.1	178	0	0	116.2	E321 T325	E321-E323 PolarHBondContact O-N 3.46Å; E323-T325 VanDerWaalsContact C-N 3.29Å; E323-T325 PolarHBondContact O-N 3.1Å; E323-T325 PolarHBondContact O-OG1 2.9Å
324	M	80.9	Confident	87.5	Confident	104 Å²	104	57 Å²	57	51%	0.512	27%	0.274	S	S	.	.			trans	31.1	52.6	179.1	-72.6	-157.6	-174.9	0	0	116.4	T319 E321	T319-M324 CarbonylContact O-C 3.45Å; T319-M324 WeakPolarHBondContact O-CA 3.46Å; E321-M324 PolarHBondContact O-N 3.47Å; E321-M324 VanDerWaalsContact O-N 3.12Å
325	T	85	Confident	87.5	Confident	10 Å²	10	59.5 Å²	59.5	6%	0.061	29%	0.289	C	S	.	.			trans	-89.1	134.6	-167.5	-63.4	0	0	0	0	112.4	I318 T319 E323 Y327 P353	I318-T325 WeakPolarHBondContact CA-O 3.41Å; T319-T325 PolarHBondContact N-O 3.06Å; T319-T325 VanDerWaalsContact N-O 3.11Å; T319-T325 PolarHBondContact O-N 2.95Å; T319-T325 PolarHBondContact OG1-N 3.16Å; E323-T325 VanDerWaalsContact C-N 3.29Å; E323-T325 PolarHBondContact O-N 3.1Å; E323-T325 PolarHBondContact O-OG1 2.9Å; T325-Y327 HydrophobicContact CG2-CE1 4.18Å; T325-Y327 HydrophobicContact CG2-CE2 3.74Å; T325-Y327 WeakPolarHBondContact CG2-OH 3.47Å; T325-Y327 WeakPolarHBondContact O-CE2 3.3Å; T325-P353 HydrophobicContact CG2-CB 3.67Å; T325-P353 HydrophobicContact CG2-CG 3.82Å
326	K	90.8	Very high	87.5	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	147.5	-178.7	-62.1	169.4	-163.4	150	0	111.7	F304 F305 L317 I318 P353 H354 M356 E431	F304-K326 VanDerWaalsContact CZ-CE 3.42Å; F304-K326 VanDerWaalsContact O-CE 3.3Å; F304-K326 WeakPolarHBondContact O-CE 3.28Å; F304-K326 PolarHBondContact O-NZ 2.61Å; F305-K326 HydrophobicContact CD1-CD 4.16Å; F305-K326 HydrophobicContact CD1-CG 4.34Å; F305-K326 HydrophobicContact CE1-CD 4.42Å; F305-K326 HydrophobicContact CE1-CG 4.2Å; L317-K326 CarbonylContact O-C 3.53Å; L317-K326 WeakPolarHBondContact O-CA 3.25Å; I318-K326 HydrophobicContact CD1-CG 4.19Å; I318-K326 HydrophobicContact CG1-CG 4.32Å; K326-P353 WeakPolarHBondContact O-CA 3.36Å; K326-H354 PolarHBondContact O-N 3.09Å; K326-M356 HydrophobicContact CD-SD 4.23Å; K326-E431 VanDerWaalsContact CD-OE1 3.25Å; K326-E431 WeakPolarHBondContact CD-OE1 3.32Å; K326-E431 WeakPolarHBondContact CE-OE1 3.3Å; K326-E431 IonicContact NZ-OE1 3.44Å; K326-E431 PolarHBondContact NZ-OE1 2.8Å
327	Y	93.4	Very high	87.5	Confident	34 Å²	34	66.4 Å²	66.4	13%	0.133	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.4	179.1	-53.9	-93.2	0	0	0	109.8	R316 L317 T319 T325 F346 I351 P353	R316-Y327 WeakPolarHBondContact CA-O 3.32Å; L317-Y327 HydrophobicContact CD2-CD2 3.8Å; L317-Y327 HydrophobicContact CD2-CE2 4.43Å; L317-Y327 PolarHBondContact N-O 2.8Å; L317-Y327 PolarHBondContact O-N 3.45Å; T319-Y327 HydrophobicContact CG2-CE2 4.32Å; T325-Y327 HydrophobicContact CG2-CE1 4.18Å; T325-Y327 HydrophobicContact CG2-CE2 3.74Å; T325-Y327 WeakPolarHBondContact CG2-OH 3.47Å; T325-Y327 WeakPolarHBondContact O-CE2 3.3Å; Y327-F346 HydrophobicContact CD1-CD2 4.32Å; Y327-F346 AromaticContact CD2-CD2 3.99Å; Y327-F346 HydrophobicContact CD2-CD2 3.99Å; Y327-F346 AromaticContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CE1-CD2 4.38Å; Y327-F346 HydrophobicContact CE1-CE2 4.4Å; Y327-F346 HydrophobicContact CE2-CD2 4.09Å; Y327-F346 AromaticContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CG-CD2 4.12Å; Y327-F346 HydrophobicContact CG-CE2 4.38Å; Y327-F346 AromaticContact CZ-CE2 3.84Å; Y327-I351 HydrophobicContact CD1-CB 4.3Å; Y327-I351 HydrophobicContact CD1-CG2 3.86Å; Y327-I351 HydrophobicContact CG-CG2 4.43Å; Y327-P353 HydrophobicContact CE1-CB 4.46Å; Y327-P353 HydrophobicContact CE1-CG 4.05Å
328	K	92.8	Very high	87.6	Confident	64 Å²	64	70.6 Å²	70.6	28%	0.278	34%	0.341	S	S	.	.			trans	-125.6	150.5	171.6	78	176.4	-157.9	77.7	0	110.6	E332 H354	K328-E332 IonicContact NZ-OE1 2.69Å; K328-H354 HydrophobicContact CB-CB 4.36Å; K328-H354 HydrophobicContact CG-CB 4.17Å
329	P	91.7	Very high	87.8	Confident	18 Å²	18	70.6 Å²	70.6	12%	0.117	34%	0.341	C	S	.	.			trans	-58.8	151	170.1	-21.2	31.7	0	0	0	112.2	V315 S331 F342	V315-P329 HydrophobicContact CB-CG 4.09Å; V315-P329 HydrophobicContact CG1-CG 4.09Å; V315-P329 WeakPolarHBondContact O-CD 3.26Å; P329-S331 WeakPolarHBondContact CB-O 3.45Å; P329-F342 HydrophobicContact CB-CD2 4.14Å; P329-F342 HydrophobicContact CB-CE2 4.5Å; P329-F342 HydrophobicContact CB-CG 4.16Å; P329-F342 HydrophobicContact CG-CD1 3.84Å; P329-F342 HydrophobicContact CG-CD2 4.15Å; P329-F342 HydrophobicContact CG-CE1 3.94Å; P329-F342 HydrophobicContact CG-CE2 4.25Å; P329-F342 HydrophobicContact CG-CG 3.93Å; P329-F342 HydrophobicContact CG-CZ 4.15Å
330	E	85.6	Confident	88.1	Confident	135 Å²	135	71.2 Å²	71.2	63%	0.631	35%	0.345	S	S	*	.	S	Bend	trans	-73	-22.2	170.4	-66.4	176.2	176.2	0	0	112	R345	E330-R345 IonicContact OE1-CZ 3.74Å; E330-R345 VanDerWaalsContact OE1-CZ 3.31Å; E330-R345 IonicContact OE1-NH1 3.58Å; E330-R345 PolarHBondContact OE1-NH1 2.96Å; E330-R345 VanDerWaalsContact OE1-NH1 3.15Å; E330-R345 IonicContact OE1-NH2 3.85Å; E330-R345 PolarHBondContact OE1-NH2 3.4Å; E330-R345 IonicContact OE2-CZ 2.69Å; E330-R345 IonicContact OE2-NH1 3.18Å; E330-R345 PolarHBondContact OE2-NH1 2.97Å; E330-R345 IonicContact OE2-NH2 3.29Å
331	S	84.3	Confident	88.7	Confident	30 Å²	30	73.9 Å²	73.9	21%	0.21	36%	0.356	C	S	.	.			trans	-114.1	137.2	-177	171.7	0	0	0	0	110.5	P329 E333 R338	P329-S331 WeakPolarHBondContact CB-O 3.45Å; S331-E333 VanDerWaalsContact C-N 3.29Å; S331-E333 PolarHBondContact OG-N 2.92Å; S331-R338 PolarHBondContact OG-NH1 2.93Å
332	E	84.4	Confident	89.6	Confident	133 Å²	133	68.1 Å²	68.1	62%	0.621	33%	0.329	S	S	*	.			trans	-82.1	-6.4	176.2	-55.8	-59.1	143.3	0	0	112.7	K328 L334	K328-E332 IonicContact NZ-OE1 2.69Å; E332-L334 PolarHBondContact O-N 3.23Å
333	E	90.1	Very high	91.2	Very high	109 Å²	109	59.5 Å²	59.5	51%	0.509	29%	0.289	S	S	.	.			trans	-72	123.2	177.4	-64.5	177.1	-164.5	0	0	112.7	S331 T335 R338	S331-E333 VanDerWaalsContact C-N 3.29Å; S331-E333 PolarHBondContact OG-N 2.92Å; E333-T335 PolarHBondContact O-N 3.26Å; E333-R338 HydrophobicContact CB-CG 4.38Å; E333-R338 IonicContact OE2-CZ 2.88Å; E333-R338 IonicContact OE2-NH1 3.09Å
334	L	93.5	Very high	92.6	Very high	29 Å²	29	57.9 Å²	57.9	15%	0.152	28%	0.281	C	S	.	.			trans	-97	54.4	-179.1	-56.2	-178	0	0	0	112.9	L259 N274 P313 V315 E332	L259-L334 HydrophobicContact CD1-CD1 4.06Å; N274-L334 PolarHBondContact ND2-O 3.45Å; P313-L334 HydrophobicContact CB-CD1 3.73Å; P313-L334 HydrophobicContact CG-CD1 3.82Å; V315-L334 HydrophobicContact CB-CD2 4.33Å; V315-L334 HydrophobicContact CG2-CD2 3.64Å; E332-L334 PolarHBondContact O-N 3.23Å
335	T	96.3	Very high	93.4	Very high	54 Å²	54	56 Å²	56	33%	0.331	27%	0.269	S	S	.	.			trans	-94.5	155.2	173.4	64.6	0	0	0	0	111.1	E333 E337 R338 I339	E333-T335 PolarHBondContact O-N 3.26Å; T335-E337 PolarHBondContact O-N 3.09Å; T335-R338 PolarHBondContact O-N 3.27Å; T335-R338 VanDerWaalsContact O-N 3.17Å; T335-R338 WeakPolarHBondContact OG1-CG 3.2Å; T335-R338 PolarHBondContact OG1-N 3.4Å; T335-I339 WeakPolarHBondContact O-CD1 3.49Å; T335-I339 WeakPolarHBondContact O-CG1 3.36Å; T335-I339 PolarHBondContact O-N 2.96Å
336	A	97.2	Very high	93.9	Very high	20 Å²	20	56.7 Å²	56.7	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-55.9	-38.9	178.1	0	0	0	0	0	112.2	N274 T277 T340	N274-A336 HydrophobicContact CB-CB 4.43Å; N274-A336 WeakPolarHBondContact O-CB 3.47Å; T277-A336 HydrophobicContact CG2-CB 3.93Å; A336-T340 VanDerWaalsContact O-CB 3.26Å; A336-T340 WeakPolarHBondContact O-CB 3.38Å; A336-T340 PolarHBondContact O-N 3.17Å; A336-T340 PolarHBondContact O-OG1 3.28Å
337	E	97	Very high	94.1	Very high	148 Å²	148	60.4 Å²	60.4	69%	0.692	29%	0.29	S	S	*	.	H	α-helix	trans	-62.5	-48.2	177	-174.2	-178.5	169.2	0	0	111.9	T335 T340 E341	T335-E337 PolarHBondContact O-N 3.09Å; E337-T340 PolarHBondContact O-N 3.41Å; E337-E341 WeakPolarHBondContact O-CB 3.18Å; E337-E341 PolarHBondContact O-N 2.94Å
338	R	96.8	Very high	94.2	Very high	88 Å²	88	63.9 Å²	63.9	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-70.2	-36.3	-178.4	-68.5	-63.2	170.1	95.9	2.5	113	S331 E333 T335 E341 F342	S331-R338 PolarHBondContact OG-NH1 2.93Å; E333-R338 HydrophobicContact CB-CG 4.38Å; E333-R338 IonicContact OE2-CZ 2.88Å; E333-R338 IonicContact OE2-NH1 3.09Å; T335-R338 PolarHBondContact O-N 3.27Å; T335-R338 VanDerWaalsContact O-N 3.17Å; T335-R338 WeakPolarHBondContact OG1-CG 3.2Å; T335-R338 PolarHBondContact OG1-N 3.4Å; R338-E341 WeakPolarHBondContact CD-OE2 3.42Å; R338-E341 IonicContact NE-OE2 3.01Å; R338-F342 VanDerWaalsContact O-CB 3.31Å; R338-F342 WeakPolarHBondContact O-CB 3.42Å; R338-F342 PolarHBondContact O-N 3.47Å
339	I	97.7	Very high	94.2	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-43.2	173.8	-62.8	158.4	0	0	0	109.8	I257 F275 A278 F288 T335 F342 C343	I257-I339 HydrophobicContact CD1-CG2 4.08Å; F275-I339 HydrophobicContact CB-CD1 4.48Å; F275-I339 HydrophobicContact CD2-CD1 4.06Å; F275-I339 HydrophobicContact CD2-CG2 4.17Å; F275-I339 HydrophobicContact CE2-CG2 4.39Å; A278-I339 HydrophobicContact CB-CB 3.81Å; A278-I339 HydrophobicContact CB-CG2 3.56Å; F288-I339 HydrophobicContact CE1-CG2 3.97Å; T335-I339 WeakPolarHBondContact O-CD1 3.49Å; T335-I339 WeakPolarHBondContact O-CG1 3.36Å; T335-I339 PolarHBondContact O-N 2.96Å; I339-F342 PolarHBondContact O-N 3.42Å; I339-C343 PolarHBondContact O-N 3.27Å; I339-C343 PolarHBondContact O-SG 3.47Å; I339-C343 VanDerWaalsContact O-SG 3.41Å
340	T	97.8	Very high	94.4	Very high	32 Å²	32	69 Å²	69	20%	0.196	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-48.1	176.3	-58.7	0	0	0	0	111.3	F282 A336 E337 F342 C343 H344	F282-T340 HydrophobicContact CE2-CG2 4.18Å; F282-T340 HydrophobicContact CZ-CG2 3.89Å; A336-T340 VanDerWaalsContact O-CB 3.26Å; A336-T340 WeakPolarHBondContact O-CB 3.38Å; A336-T340 PolarHBondContact O-N 3.17Å; A336-T340 PolarHBondContact O-OG1 3.28Å; E337-T340 PolarHBondContact O-N 3.41Å; T340-F342 VanDerWaalsContact C-N 3.33Å; T340-F342 PolarHBondContact O-N 2.89Å; T340-C343 PolarHBondContact O-N 3.3Å; T340-H344 PolarHBondContact O-CD2 3.48Å; T340-H344 VanDerWaalsContact O-CD2 3.3Å; T340-H344 PolarHBondContact O-N 2.92Å
341	E	97.1	Very high	94.7	Very high	96 Å²	96	63.3 Å²	63.3	45%	0.449	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-45.8	176.5	-179.9	-177.8	-150.1	0	0	111.6	E337 R338 C343 H344 R345	E337-E341 WeakPolarHBondContact O-CB 3.18Å; E337-E341 PolarHBondContact O-N 2.94Å; R338-E341 WeakPolarHBondContact CD-OE2 3.42Å; R338-E341 IonicContact NE-OE2 3.01Å; E341-C343 PolarHBondContact O-N 3.48Å; E341-H344 PolarHBondContact O-N 3.19Å; E341-R345 HydrophobicContact CG-CG 4.47Å; E341-R345 WeakPolarHBondContact O-CB 3.46Å; E341-R345 WeakPolarHBondContact O-CG 3.25Å; E341-R345 PolarHBondContact O-N 3.43Å
342	F	97.6	Very high	94.9	Very high	8 Å²	8	70.6 Å²	70.6	4%	0.035	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-49.4	177.1	170	-123	0	0	0	111.7	I257 V315 L317 P329 R338 I339 T340 H344 R345 F346 I351	I257-F342 HydrophobicContact CD1-CD1 3.95Å; I257-F342 HydrophobicContact CD1-CE1 3.98Å; I257-F342 HydrophobicContact CG1-CE1 4.5Å; V315-F342 HydrophobicContact CG1-CD1 4.3Å; V315-F342 HydrophobicContact CG1-CE1 4.06Å; L317-F342 HydrophobicContact CB-CE1 3.74Å; L317-F342 HydrophobicContact CB-CZ 3.68Å; L317-F342 HydrophobicContact CD1-CE1 4.06Å; L317-F342 HydrophobicContact CD1-CZ 4.3Å; P329-F342 HydrophobicContact CB-CD2 4.14Å; P329-F342 HydrophobicContact CB-CE2 4.5Å; P329-F342 HydrophobicContact CB-CG 4.16Å; P329-F342 HydrophobicContact CG-CD1 3.84Å; P329-F342 HydrophobicContact CG-CD2 4.15Å; P329-F342 HydrophobicContact CG-CE1 3.94Å; P329-F342 HydrophobicContact CG-CE2 4.25Å; P329-F342 HydrophobicContact CG-CG 3.93Å; P329-F342 HydrophobicContact CG-CZ 4.15Å; R338-F342 VanDerWaalsContact O-CB 3.31Å; R338-F342 WeakPolarHBondContact O-CB 3.42Å; R338-F342 PolarHBondContact O-N 3.47Å; I339-F342 PolarHBondContact O-N 3.42Å; T340-F342 VanDerWaalsContact C-N 3.33Å; T340-F342 PolarHBondContact O-N 2.89Å; F342-H344 PolarHBondContact O-N 3.04Å; F342-R345 PolarHBondContact O-N 3.29Å; F342-F346 WeakPolarHBondContact O-CB 3.15Å; F342-F346 PolarHBondContact O-N 2.89Å; F342-I351 HydrophobicContact CD2-CD1 4.25Å; F342-I351 HydrophobicContact CD2-CG1 4.22Å; F342-I351 HydrophobicContact CE2-CG1 4.26Å; F342-I351 HydrophobicContact CE2-CG2 4.12Å
343	C	97.7	Very high	95	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-43.8	176.9	-72.4	0	0	0	0	112.5	I257 F282 I286 I339 T340 E341 F346 L347	I257-C343 VanDerWaalsContact CD1-SG 3.56Å; F282-C343 HydrophobicContact CD1-CB 4.03Å; F282-C343 HydrophobicContact CD2-CB 4.18Å; F282-C343 HydrophobicContact CE1-CB 3.44Å; F282-C343 VanDerWaalsContact CE1-CB 3.44Å; F282-C343 HydrophobicContact CE2-CB 3.61Å; F282-C343 HydrophobicContact CG-CB 4.36Å; F282-C343 HydrophobicContact CZ-CB 3.2Å; I286-C343 HydrophobicContact CD1-CB 3.84Å; I339-C343 PolarHBondContact O-N 3.27Å; I339-C343 PolarHBondContact O-SG 3.47Å; I339-C343 VanDerWaalsContact O-SG 3.41Å; T340-C343 PolarHBondContact O-N 3.3Å; E341-C343 PolarHBondContact O-N 3.48Å; C343-F346 PolarHBondContact O-N 3.25Å; C343-L347 VanDerWaalsContact O-CG 3.32Å; C343-L347 WeakPolarHBondContact O-CG 3.41Å; C343-L347 PolarHBondContact O-N 3.4Å
344	H	97.3	Very high	94.7	Very high	90 Å²	90	64.4 Å²	64.4	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-49.1	175.8	-89.8	-101.5	0	0	0	111.7	F282 T340 E341 F342 F346 L347 E348	F282-H344 AromaticContact CE1-CD2 3.61Å; F282-H344 AromaticContact CE1-NE2 3.88Å; F282-H344 AromaticContact CZ-CD2 3.52Å; F282-H344 AromaticContact CZ-NE2 3.94Å; T340-H344 PolarHBondContact O-CD2 3.48Å; T340-H344 VanDerWaalsContact O-CD2 3.3Å; T340-H344 PolarHBondContact O-N 2.92Å; E341-H344 PolarHBondContact O-N 3.19Å; F342-H344 PolarHBondContact O-N 3.04Å; H344-F346 VanDerWaalsContact C-N 3.29Å; H344-F346 PolarHBondContact O-N 3.42Å; H344-L347 PolarHBondContact O-N 2.85Å; H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 VanDerWaalsContact O-CG 3.28Å; H344-E348 WeakPolarHBondContact O-CG 3.38Å; H344-E348 PolarHBondContact O-N 3.2Å
345	R	97	Very high	94.1	Very high	66 Å²	66	66 Å²	66	25%	0.249	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-35.3	179.2	-74.7	-167.1	62.5	-167.3	-14.2	112.4	E330 E341 F342 E348 G349 K350 I351	E330-R345 IonicContact OE1-CZ 3.74Å; E330-R345 VanDerWaalsContact OE1-CZ 3.31Å; E330-R345 IonicContact OE1-NH1 3.58Å; E330-R345 PolarHBondContact OE1-NH1 2.96Å; E330-R345 VanDerWaalsContact OE1-NH1 3.15Å; E330-R345 IonicContact OE1-NH2 3.85Å; E330-R345 PolarHBondContact OE1-NH2 3.4Å; E330-R345 IonicContact OE2-CZ 2.69Å; E330-R345 IonicContact OE2-NH1 3.18Å; E330-R345 PolarHBondContact OE2-NH1 2.97Å; E330-R345 IonicContact OE2-NH2 3.29Å; E341-R345 HydrophobicContact CG-CG 4.47Å; E341-R345 WeakPolarHBondContact O-CB 3.46Å; E341-R345 WeakPolarHBondContact O-CG 3.25Å; E341-R345 PolarHBondContact O-N 3.43Å; F342-R345 PolarHBondContact O-N 3.29Å; R345-E348 PolarHBondContact O-N 3.07Å; R345-G349 PolarHBondContact O-N 3.32Å; R345-K350 HydrophobicContact CB-CB 4.3Å; R345-K350 PolarHBondContact NH2-O 3.46Å; R345-K350 VanDerWaalsContact NH2-O 3.16Å; R345-K350 WeakPolarHBondContact O-CA 3.28Å; R345-K350 WeakPolarHBondContact O-CB 3.19Å; R345-K350 PolarHBondContact O-N 3.25Å; R345-I351 HydrophobicContact CB-CD1 3.68Å; R345-I351 HydrophobicContact CB-CG1 3.83Å
346	F	96.1	Very high	93.4	Very high	24 Å²	24	64 Å²	64	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-51.4	172.3	163.3	-97.4	0	0	0	110.8	T255 I286 L317 T319 Y327 F342 C343 H344 E348 G349 I351	T255-F346 HydrophobicContact CG2-CD1 4.34Å; T255-F346 HydrophobicContact CG2-CE1 3.44Å; T255-F346 VanDerWaalsContact CG2-CE1 3.44Å; T255-F346 HydrophobicContact CG2-CZ 3.78Å; I286-F346 HydrophobicContact CD1-CD1 4.31Å; L317-F346 HydrophobicContact CD1-CB 4.16Å; L317-F346 HydrophobicContact CD1-CD1 3.67Å; L317-F346 HydrophobicContact CD1-CD2 4.31Å; L317-F346 HydrophobicContact CD1-CE1 4.24Å; L317-F346 HydrophobicContact CD1-CG 3.73Å; L317-F346 HydrophobicContact CD2-CD1 3.91Å; L317-F346 HydrophobicContact CD2-CD2 3.6Å; L317-F346 HydrophobicContact CD2-CE1 3.79Å; L317-F346 HydrophobicContact CD2-CE2 3.44Å; L317-F346 VanDerWaalsContact CD2-CE2 3.44Å; L317-F346 HydrophobicContact CD2-CG 3.85Å; L317-F346 HydrophobicContact CD2-CZ 3.55Å; L317-F346 HydrophobicContact CG-CD1 4.48Å; L317-F346 HydrophobicContact CG-CG 4.46Å; T319-F346 HydrophobicContact CG2-CE2 4Å; T319-F346 HydrophobicContact CG2-CZ 3.57Å; Y327-F346 HydrophobicContact CD1-CD2 4.32Å; Y327-F346 AromaticContact CD2-CD2 3.99Å; Y327-F346 HydrophobicContact CD2-CD2 3.99Å; Y327-F346 AromaticContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CE1-CD2 4.38Å; Y327-F346 HydrophobicContact CE1-CE2 4.4Å; Y327-F346 HydrophobicContact CE2-CD2 4.09Å; Y327-F346 AromaticContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CG-CD2 4.12Å; Y327-F346 HydrophobicContact CG-CE2 4.38Å; Y327-F346 AromaticContact CZ-CE2 3.84Å; F342-F346 WeakPolarHBondContact O-CB 3.15Å; F342-F346 PolarHBondContact O-N 2.89Å; C343-F346 PolarHBondContact O-N 3.25Å; H344-F346 VanDerWaalsContact C-N 3.29Å; H344-F346 PolarHBondContact O-N 3.42Å; F346-E348 PolarHBondContact O-N 3.46Å; F346-G349 PolarHBondContact O-N 2.82Å; F346-I351 HydrophobicContact CB-CG1 4.23Å
347	L	95.1	Very high	92.9	Very high	84 Å²	84	65.1 Å²	65.1	44%	0.44	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-25	179.2	-69.6	172.2	0	0	0	113.2	F282 I286 C343 H344 G349	F282-L347 HydrophobicContact CD1-CD1 3.93Å; F282-L347 HydrophobicContact CE1-CD1 4.1Å; I286-L347 HydrophobicContact CD1-CD1 4.09Å; I286-L347 HydrophobicContact CD1-CD2 4.26Å; I286-L347 HydrophobicContact CD1-CG 4.11Å; I286-L347 HydrophobicContact CG1-CD2 4.4Å; C343-L347 VanDerWaalsContact O-CG 3.32Å; C343-L347 WeakPolarHBondContact O-CG 3.41Å; C343-L347 PolarHBondContact O-N 3.4Å; H344-L347 PolarHBondContact O-N 2.85Å; L347-G349 VanDerWaalsContact C-N 3.31Å
348	E	96	Very high	92.4	Very high	106 Å²	106	62 Å²	62	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.3	173.1	-69.5	173.2	-167	0	0	113.7	H344 R345 F346 K350	H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 VanDerWaalsContact O-CG 3.28Å; H344-E348 WeakPolarHBondContact O-CG 3.38Å; H344-E348 PolarHBondContact O-N 3.2Å; R345-E348 PolarHBondContact O-N 3.07Å; F346-E348 PolarHBondContact O-N 3.46Å; E348-K350 VanDerWaalsContact C-N 3.29Å; E348-K350 HydrophobicContact CB-CD 4.13Å; E348-K350 HydrophobicContact CB-CG 4.07Å; E348-K350 PolarHBondContact O-N 2.92Å; E348-K350 WeakPolarHBondContact OE2-CD 3.44Å; E348-K350 WeakPolarHBondContact OE2-CE 3.39Å; E348-K350 IonicContact OE2-NZ 3.86Å; E348-K350 PolarHBondContact OE2-NZ 3.24Å
349	G	93.1	Very high	92.1	Very high	69 Å²	69	64.7 Å²	64.7	71%	0.711	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	20.7	-177.5	0	0	0	0	0	114.3	R345 F346 L347	R345-G349 PolarHBondContact O-N 3.32Å; F346-G349 PolarHBondContact O-N 2.82Å; L347-G349 VanDerWaalsContact C-N 3.31Å
350	K	94.5	Very high	91.9	Very high	121 Å²	121	67.5 Å²	67.5	53%	0.526	34%	0.344	S	S	.	.			trans	-96.4	-1.2	-175	-67	179.7	179.6	164.1	0	114.5	R345 E348	R345-K350 HydrophobicContact CB-CB 4.3Å; R345-K350 PolarHBondContact NH2-O 3.46Å; R345-K350 VanDerWaalsContact NH2-O 3.16Å; R345-K350 WeakPolarHBondContact O-CA 3.28Å; R345-K350 WeakPolarHBondContact O-CB 3.19Å; R345-K350 PolarHBondContact O-N 3.25Å; E348-K350 VanDerWaalsContact C-N 3.29Å; E348-K350 HydrophobicContact CB-CD 4.13Å; E348-K350 HydrophobicContact CB-CG 4.07Å; E348-K350 PolarHBondContact O-N 2.92Å; E348-K350 WeakPolarHBondContact OE2-CD 3.44Å; E348-K350 WeakPolarHBondContact OE2-CE 3.39Å; E348-K350 IonicContact OE2-NZ 3.86Å; E348-K350 PolarHBondContact OE2-NZ 3.24Å
351	I	92.7	Very high	91.7	Very high	16 Å²	16	68.1 Å²	68.1	8%	0.082	35%	0.349	C	S	.	.	S	Bend	trans	-101.1	127.7	175.4	-57.6	-61.7	0	0	0	108.2	Y327 F342 R345 F346	Y327-I351 HydrophobicContact CD1-CB 4.3Å; Y327-I351 HydrophobicContact CD1-CG2 3.86Å; Y327-I351 HydrophobicContact CG-CG2 4.43Å; F342-I351 HydrophobicContact CD2-CD1 4.25Å; F342-I351 HydrophobicContact CD2-CG1 4.22Å; F342-I351 HydrophobicContact CE2-CG1 4.26Å; F342-I351 HydrophobicContact CE2-CG2 4.12Å; R345-I351 HydrophobicContact CB-CD1 3.68Å; R345-I351 HydrophobicContact CB-CG1 3.83Å; F346-I351 HydrophobicContact CB-CG1 4.23Å
352	K	88.6	Confident	91.6	Very high	183 Å²	183	73.1 Å²	73.1	80%	0.796	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-74.9	143.7	174.3	-65	-173.7	177.5	-171.7	0	110.2	H354	K352-H354 PolarHBondContact O-N 3.41Å
353	P	86.9	Confident	91.4	Very high	63 Å²	63	77 Å²	77	41%	0.409	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-49.8	138	169.9	-29.4	37.3	0	0	0	111.9	T325 K326 Y327	T325-P353 HydrophobicContact CG2-CB 3.67Å; T325-P353 HydrophobicContact CG2-CG 3.82Å; K326-P353 WeakPolarHBondContact O-CA 3.36Å; Y327-P353 HydrophobicContact CE1-CB 4.46Å; Y327-P353 HydrophobicContact CE1-CG 4.05Å
354	H	83.3	Confident	91.4	Very high	48 Å²	48	79.7 Å²	79.7	22%	0.222	40%	0.404	C	S	.	.			trans	-90.5	112.2	170.8	177.4	43.6	0	0	0	108.3	K326 K328 K352	K326-H354 PolarHBondContact O-N 3.09Å; K328-H354 HydrophobicContact CB-CB 4.36Å; K328-H354 HydrophobicContact CG-CB 4.17Å; K352-H354 PolarHBondContact O-N 3.41Å
355	L	80.7	Confident	91.4	Very high	62 Å²	62	79.4 Å²	79.4	33%	0.325	41%	0.405	S	S	.	.			trans	-94.3	126	176.9	-60	175	0	0	0	110	E431 E433	L355-E431 HydrophobicContact CB-CB 4.25Å; L355-E431 HydrophobicContact CD2-CB 3.76Å; L355-E433 HydrophobicContact CD1-CB 3.94Å
356	M	80.5	Confident	91.3	Very high	13 Å²	13	83.6 Å²	83.6	6%	0.064	43%	0.425	C	S	.	.			trans	-80.4	147	174.4	-68.3	171.7	44.9	0	0	111.6	E303 G306 K326 N430 E431	E303-M356 WeakPolarHBondContact O-CE 3.39Å; G306-M356 PolarHBondContact N-SD 3.38Å; K326-M356 HydrophobicContact CD-SD 4.23Å; M356-N430 CarbonylContact O-C 3.53Å; M356-N430 WeakPolarHBondContact O-CA 3.47Å; M356-E431 PolarHBondContact O-N 2.92Å
357	S	86.6	Confident	91.3	Very high	43 Å²	43	87.8 Å²	87.8	30%	0.301	45%	0.445	S	S	.	.			trans	-149.3	135.2	167.1	179.9	0	0	0	0	110.4	G374 K375 N430	S357-G374 VanDerWaalsContact OG-CA 3.31Å; S357-G374 WeakPolarHBondContact OG-CA 3.39Å; S357-G374 PolarHBondContact OG-N 3.23Å; S357-K375 WeakPolarHBondContact OG-CG 3.42Å; S357-K375 PolarHBondContact OG-N 2.83Å; S357-N430 WeakPolarHBondContact CA-OD1 3.15Å; S357-N430 PolarHBondContact OG-OD1 3.28Å
358	Q	87.2	Confident	91.4	Very high	82 Å²	82	85.3 Å²	85.3	38%	0.383	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.4	165.9	165.3	-66.9	175.4	-54	0	0	111	V373 A429 N430	Q358-V373 HydrophobicContact CB-CB 4.35Å; Q358-V373 HydrophobicContact CB-CG1 3.8Å; Q358-A429 VanDerWaalsContact CD-CB 3.4Å; Q358-A429 HydrophobicContact CG-CB 3.6Å; Q358-N430 PolarHBondContact N-OD1 2.95Å; Q358-N430 PolarHBondContact OE1-ND2 2.91Å
359	E	90.7	Very high	91.6	Very high	145 Å²	145	80.5 Å²	80.5	68%	0.678	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-66.5	140.6	165.2	-70.9	-59.5	154.6	0	0	110.1	P361 K375	E359-P361 VanDerWaalsContact O-CD 3.28Å; E359-P361 WeakPolarHBondContact O-CD 3.43Å; E359-K375 IonicContact OE1-NZ 3.9Å; E359-K375 PolarHBondContact OE1-NZ 3.19Å; E359-K375 IonicContact OE2-NZ 3.43Å; E359-K375 PolarHBondContact OE2-NZ 2.96Å
360	L	93.2	Very high	91.8	Very high	66 Å²	66	79.7 Å²	79.7	35%	0.346	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-68.7	119.7	177.1	-178.3	65.1	0	0	0	108.9	W364 V373 N376	L360-W364 HydrophobicContact CD1-CB 3.88Å; L360-W364 HydrophobicContact CD1-CD2 4.22Å; L360-W364 HydrophobicContact CD1-CG 3.7Å; L360-W364 HydrophobicContact CG-CG 4.2Å; L360-V373 HydrophobicContact CB-CG2 4.08Å; L360-V373 HydrophobicContact CD1-CG2 3.82Å; L360-N376 HydrophobicContact CD1-CB 3.82Å; L360-N376 WeakPolarHBondContact CD1-ND2 3.45Å; L360-N376 HydrophobicContact CD2-CB 4.21Å
361	P	93.3	Very high	92	Very high	46 Å²	46	76 Å²	76	30%	0.299	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.4	140.2	175.7	-21.7	33.2	0	0	0	110.9	E359 D363 W364 V371	E359-P361 VanDerWaalsContact O-CD 3.28Å; E359-P361 WeakPolarHBondContact O-CD 3.43Å; P361-D363 PolarHBondContact O-N 2.93Å; P361-W364 HydrophobicContact CB-CB 4.28Å; P361-W364 WeakPolarHBondContact O-CB 3.32Å; P361-W364 VanDerWaalsContact O-CD1 3.3Å; P361-W364 PolarHBondContact O-N 2.83Å; P361-V371 HydrophobicContact CG-CG1 4.26Å
362	E	94.9	Very high	92.2	Very high	200 Å²	200	75.3 Å²	75.3	94%	0.935	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.3	177.8	-67.9	-171.6	166.7	0	0	112.6
363	D	95	Very high	92.6	Very high	89 Å²	89	66.7 Å²	66.7	48%	0.476	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	21.5	-179.2	68.4	-26.5	0	0	0	113.5	P361 D365 K366	P361-D363 PolarHBondContact O-N 2.93Å; D363-D365 PolarHBondContact O-N 3.32Å; D363-K366 HydrophobicContact CB-CB 3.96Å; D363-K366 HydrophobicContact CB-CD 4.03Å; D363-K366 VanDerWaalsContact O-CB 3.29Å; D363-K366 WeakPolarHBondContact O-CB 3.4Å; D363-K366 PolarHBondContact O-N 2.95Å
364	W	97.2	Very high	92.8	Very high	58 Å²	58	64.7 Å²	64.7	22%	0.22	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.4	-176.5	75.7	-87.1	0	0	0	113.8	L360 P361 K370 V371 L372 V380	L360-W364 HydrophobicContact CD1-CB 3.88Å; L360-W364 HydrophobicContact CD1-CD2 4.22Å; L360-W364 HydrophobicContact CD1-CG 3.7Å; L360-W364 HydrophobicContact CG-CG 4.2Å; P361-W364 HydrophobicContact CB-CB 4.28Å; P361-W364 WeakPolarHBondContact O-CB 3.32Å; P361-W364 VanDerWaalsContact O-CD1 3.3Å; P361-W364 PolarHBondContact O-N 2.83Å; W364-K370 HydrophobicContact CE3-CB 4.25Å; W364-K370 HydrophobicContact CZ3-CB 4.13Å; W364-K370 WeakPolarHBondContact O-CA 3.14Å; W364-V371 HydrophobicContact CB-CB 4.33Å; W364-V371 PolarHBondContact O-N 2.94Å; W364-L372 HydrophobicContact CE3-CD2 4.4Å; W364-L372 HydrophobicContact CZ3-CD2 4.2Å; W364-V380 HydrophobicContact CH2-CG2 3.53Å; W364-V380 HydrophobicContact CZ3-CG1 4.47Å; W364-V380 HydrophobicContact CZ3-CG2 3.69Å
365	D	96.1	Very high	93.2	Very high	83 Å²	83	67.7 Å²	67.7	44%	0.444	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	3.2	-178.9	70.6	-13.3	0	0	0	114.4	D363 K370	D363-D365 PolarHBondContact O-N 3.32Å; D365-K370 HydrophobicContact CB-CD 4.03Å; D365-K370 PolarHBondContact O-NZ 3.29Å
366	K	95.5	Very high	93.9	Very high	154 Å²	154	65.1 Å²	65.1	67%	0.67	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-35.6	-173.8	-174.1	177.3	179.3	178.5	0	113.1	D363	D363-K366 HydrophobicContact CB-CB 3.96Å; D363-K366 HydrophobicContact CB-CD 4.03Å; D363-K366 VanDerWaalsContact O-CB 3.29Å; D363-K366 WeakPolarHBondContact O-CB 3.4Å; D363-K366 PolarHBondContact O-N 2.95Å
367	Q	96.6	Very high	94.7	Very high	113 Å²	113	64.6 Å²	64.6	53%	0.528	32%	0.323	S	S	.	.	S	Bend	trans	-86.1	161.8	-179.4	-60.6	-57.6	-19.2	0	0	111.5	V369 K370	Q367-V369 VanDerWaalsContact C-N 3.29Å; Q367-V369 PolarHBondContact O-N 2.99Å; Q367-K370 PolarHBondContact O-NZ 2.78Å
368	P	97.8	Very high	95	Very high	31 Å²	31	66 Å²	66	20%	0.201	33%	0.325	C	S	.	.	S	Bend	trans	-56.4	-43.6	175.5	-23.9	32	0	0	0	112.6	G411 E412 K415	P368-G411 VanDerWaalsContact CB-C 3.41Å; P368-G411 WeakPolarHBondContact CB-O 2.84Å; P368-E412 WeakPolarHBondContact CG-OE2 3.41Å; P368-K415 HydrophobicContact CB-CB 4.16Å
369	V	98.4	Very high	95.4	Very high	6 Å²	6	68.2 Å²	68.2	4%	0.036	34%	0.339	C	S	.	.	S	Bend	trans	-85.2	118.4	169.9	-177.6	0	0	0	0	108.9	Q367 I422 K424	Q367-V369 VanDerWaalsContact C-N 3.29Å; Q367-V369 PolarHBondContact O-N 2.99Å; V369-I422 WeakPolarHBondContact CA-O 3.19Å; V369-I422 HydrophobicContact CG1-CG2 4.46Å; V369-I422 HydrophobicContact CG2-CG2 4.15Å; V369-K424 HydrophobicContact CG1-CB 4.19Å; V369-K424 HydrophobicContact CG1-CD 3.97Å; V369-K424 HydrophobicContact CG1-CG 3.88Å
370	K	98.3	Very high	95.6	Very high	52 Å²	52	62.3 Å²	62.3	23%	0.226	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.7	178.7	-49.4	-59	167.9	-162.5	0	110.6	W364 D365 Q367 V421 I422 A423 K424	W364-K370 HydrophobicContact CE3-CB 4.25Å; W364-K370 HydrophobicContact CZ3-CB 4.13Å; W364-K370 WeakPolarHBondContact O-CA 3.14Å; D365-K370 HydrophobicContact CB-CD 4.03Å; D365-K370 PolarHBondContact O-NZ 3.29Å; Q367-K370 PolarHBondContact O-NZ 2.78Å; K370-V421 HydrophobicContact CB-CG1 4.42Å; K370-V421 HydrophobicContact CG-CG1 3.67Å; K370-I422 PolarHBondContact N-O 3.48Å; K370-A423 HydrophobicContact CB-CB 4.14Å; K370-A423 CarbonylContact O-C 3.53Å; K370-A423 WeakPolarHBondContact O-CA 3.48Å; K370-K424 PolarHBondContact O-N 2.92Å
371	V	98.1	Very high	95.8	Very high	44 Å²	44	59.3 Å²	59.3	27%	0.267	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.7	176	-178.3	0	0	0	0	108.9	P361 W364	P361-V371 HydrophobicContact CG-CG1 4.26Å; W364-V371 HydrophobicContact CB-CB 4.33Å; W364-V371 PolarHBondContact O-N 2.94Å
372	L	98	Very high	96	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	150	174.8	-51.7	-175.7	0	0	0	110.1	W364 N376 F377 V380 V390 A423 K424 M425	W364-L372 HydrophobicContact CE3-CD2 4.4Å; W364-L372 HydrophobicContact CZ3-CD2 4.2Å; L372-N376 WeakPolarHBondContact CA-OD1 3.26Å; L372-F377 HydrophobicContact CD1-CD2 3.86Å; L372-F377 HydrophobicContact CD1-CE2 4.36Å; L372-V380 HydrophobicContact CD2-CB 3.81Å; L372-V380 HydrophobicContact CD2-CG1 3.79Å; L372-V380 HydrophobicContact CD2-CG2 3.96Å; L372-V390 HydrophobicContact CD1-CG1 4.17Å; L372-V390 HydrophobicContact CD1-CG2 4.04Å; L372-A423 HydrophobicContact CD1-CB 3.73Å; L372-A423 HydrophobicContact CD2-CB 4.33Å; L372-A423 HydrophobicContact CG-CB 3.81Å; L372-K424 PolarHBondContact N-O 3.05Å; L372-M425 HydrophobicContact CB-CB 4.16Å; L372-M425 HydrophobicContact CB-CG 4.4Å; L372-M425 HydrophobicContact CB-SD 4.3Å; L372-M425 WeakPolarHBondContact O-CG 3.46Å
373	V	95.6	Very high	96	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	26%	0.26	C	S	.	.			trans	-133.2	166.6	168.4	-62.8	0	0	0	0	107.4	Q358 L360 K375 N376 F377 N430	Q358-V373 HydrophobicContact CB-CB 4.35Å; Q358-V373 HydrophobicContact CB-CG1 3.8Å; L360-V373 HydrophobicContact CB-CG2 4.08Å; L360-V373 HydrophobicContact CD1-CG2 3.82Å; V373-K375 HydrophobicContact CG2-CB 4.12Å; V373-K375 PolarHBondContact O-N 3.47Å; V373-N376 WeakPolarHBondContact CG2-OD1 3.39Å; V373-N376 PolarHBondContact N-OD1 3.36Å; V373-N376 PolarHBondContact O-N 3.39Å; V373-N376 VanDerWaalsContact O-N 3.13Å; V373-N376 PolarHBondContact O-OD1 3.31Å; V373-F377 WeakPolarHBondContact O-CB 3.42Å; V373-F377 PolarHBondContact O-N 3.27Å; V373-N430 VanDerWaalsContact CA-OD1 3.3Å; V373-N430 WeakPolarHBondContact CA-OD1 3.43Å; V373-N430 WeakPolarHBondContact CB-OD1 3.32Å
374	G	92	Very high	96	Very high	22 Å²	22	54 Å²	54	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-30	-179.2	0	0	0	0	0	114.2	S357 N430	S357-G374 VanDerWaalsContact OG-CA 3.31Å; S357-G374 WeakPolarHBondContact OG-CA 3.39Å; S357-G374 PolarHBondContact OG-N 3.23Å; G374-N430 PolarHBondContact N-OD1 2.79Å; G374-N430 VanDerWaalsContact N-OD1 3.12Å
375	K	91.2	Very high	96	Very high	111 Å²	111	59 Å²	59	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-69.4	-31.9	179	-70.9	175.7	-165.2	-169	0	115.2	S357 E359 V373	S357-K375 WeakPolarHBondContact OG-CG 3.42Å; S357-K375 PolarHBondContact OG-N 2.83Å; E359-K375 IonicContact OE1-NZ 3.9Å; E359-K375 PolarHBondContact OE1-NZ 3.19Å; E359-K375 IonicContact OE2-NZ 3.43Å; E359-K375 PolarHBondContact OE2-NZ 2.96Å; V373-K375 HydrophobicContact CG2-CB 4.12Å; V373-K375 PolarHBondContact O-N 3.47Å
376	N	96.1	Very high	96	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-113.8	-5.9	-179.8	76.6	-38.7	0	0	0	113.3	L360 L372 V373 E378 D379 V380	L360-N376 HydrophobicContact CD1-CB 3.82Å; L360-N376 WeakPolarHBondContact CD1-ND2 3.45Å; L360-N376 HydrophobicContact CD2-CB 4.21Å; L372-N376 WeakPolarHBondContact CA-OD1 3.26Å; V373-N376 WeakPolarHBondContact CG2-OD1 3.39Å; V373-N376 PolarHBondContact N-OD1 3.36Å; V373-N376 PolarHBondContact O-N 3.39Å; V373-N376 VanDerWaalsContact O-N 3.13Å; V373-N376 PolarHBondContact O-OD1 3.31Å; N376-E378 VanDerWaalsContact C-N 3.31Å; N376-E378 PolarHBondContact O-N 3.49Å; N376-D379 PolarHBondContact O-N 3.47Å; N376-V380 WeakPolarHBondContact O-CG2 3.36Å; N376-V380 PolarHBondContact O-N 2.97Å; N376-V380 VanDerWaalsContact O-N 3.12Å
377	F	96.3	Very high	96.1	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-53.5	-50.3	-177.7	176	-93.9	0	0	0	111.6	L372 V373 D379 V380 A381 F382 F392 M425 V432 V435 F446	L372-F377 HydrophobicContact CD1-CD2 3.86Å; L372-F377 HydrophobicContact CD1-CE2 4.36Å; V373-F377 WeakPolarHBondContact O-CB 3.42Å; V373-F377 PolarHBondContact O-N 3.27Å; F377-D379 PolarHBondContact O-N 2.69Å; F377-V380 PolarHBondContact O-N 2.94Å; F377-A381 HydrophobicContact CD1-CB 4.37Å; F377-A381 HydrophobicContact CD2-CB 4.2Å; F377-A381 HydrophobicContact CE1-CB 4.01Å; F377-A381 HydrophobicContact CE2-CB 3.81Å; F377-A381 HydrophobicContact CG-CB 4.45Å; F377-A381 HydrophobicContact CZ-CB 3.71Å; F377-A381 WeakPolarHBondContact O-CB 3.1Å; F377-A381 PolarHBondContact O-N 3.43Å; F377-F382 HydrophobicContact CE1-CE2 4.05Å; F377-F392 AromaticContact CE2-CE1 3.84Å; F377-F392 HydrophobicContact CE2-CE1 3.84Å; F377-F392 AromaticContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CZ-CE1 4.33Å; F377-F392 AromaticContact CZ-CZ 3.95Å; F377-F392 HydrophobicContact CZ-CZ 3.95Å; F377-M425 HydrophobicContact CB-SD 4.26Å; F377-M425 HydrophobicContact CD2-CE 4.16Å; F377-M425 HydrophobicContact CD2-SD 3.88Å; F377-M425 HydrophobicContact CG-SD 4.34Å; F377-V432 HydrophobicContact CB-CG1 3.73Å; F377-V432 HydrophobicContact CD1-CB 3.89Å; F377-V432 HydrophobicContact CD1-CG1 3.68Å; F377-V432 HydrophobicContact CD1-CG2 4.06Å; F377-V432 HydrophobicContact CD2-CG1 4.38Å; F377-V432 HydrophobicContact CE1-CB 4.22Å; F377-V432 HydrophobicContact CE1-CG1 4.42Å; F377-V432 HydrophobicContact CE1-CG2 3.95Å; F377-V432 HydrophobicContact CG-CB 4.33Å; F377-V432 HydrophobicContact CG-CG1 3.66Å; F377-V432 HydrophobicContact CG-CG2 4.44Å; F377-V432 HydrophobicContact CZ-CG2 4.26Å; F377-V435 HydrophobicContact CE1-CG2 4.26Å; F377-V435 HydrophobicContact CZ-CG2 3.77Å; F377-F446 HydrophobicContact CE2-CZ 4.37Å; F377-F446 HydrophobicContact CZ-CE1 4.02Å; F377-F446 HydrophobicContact CZ-CE2 4.39Å; F377-F446 AromaticContact CZ-CZ 3.73Å; F377-F446 HydrophobicContact CZ-CZ 3.73Å
378	E	93.6	Very high	96.2	Very high	74 Å²	74	47 Å²	47	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-44.8	-175.4	-164.9	71.8	178.3	0	0	112.2	N376 V380 F382 R452	N376-E378 VanDerWaalsContact C-N 3.31Å; N376-E378 PolarHBondContact O-N 3.49Å; E378-V380 VanDerWaalsContact C-N 3.3Å; E378-V380 PolarHBondContact O-N 2.91Å; E378-F382 PolarHBondContact O-N 3.4Å; E378-F382 WeakPolarHBondContact OE2-CD2 3.29Å; E378-R452 IonicContact OE1-CZ 2.69Å; E378-R452 IonicContact OE1-NH1 2.67Å; E378-R452 PolarHBondContact OE1-NH1 2.82Å; E378-R452 IonicContact OE1-NH2 3.57Å; E378-R452 PolarHBondContact OE1-NH2 3.38Å; E378-R452 IonicContact OE2-NH2 3.09Å
379	D	94.8	Very high	96.3	Very high	127 Å²	127	45.5 Å²	45.5	68%	0.679	22%	0.224	S	C	*	.	H	α-helix	trans	-66.3	-32.4	-179.1	-65.8	-30.2	0	0	0	112.4	N376 F377	N376-D379 PolarHBondContact O-N 3.47Å; F377-D379 PolarHBondContact O-N 2.69Å
380	V	96.6	Very high	96.3	Very high	22 Å²	22	45.2 Å²	45.2	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-89.8	-54.3	-177.6	-179.4	0	0	0	0	111.2	W364 L372 N376 F377 E378 F382 D383 V388	W364-V380 HydrophobicContact CH2-CG2 3.53Å; W364-V380 HydrophobicContact CZ3-CG1 4.47Å; W364-V380 HydrophobicContact CZ3-CG2 3.69Å; L372-V380 HydrophobicContact CD2-CB 3.81Å; L372-V380 HydrophobicContact CD2-CG1 3.79Å; L372-V380 HydrophobicContact CD2-CG2 3.96Å; N376-V380 WeakPolarHBondContact O-CG2 3.36Å; N376-V380 PolarHBondContact O-N 2.97Å; N376-V380 VanDerWaalsContact O-N 3.12Å; F377-V380 PolarHBondContact O-N 2.94Å; E378-V380 VanDerWaalsContact C-N 3.3Å; E378-V380 PolarHBondContact O-N 2.91Å; V380-F382 VanDerWaalsContact C-N 3.34Å; V380-F382 PolarHBondContact O-N 2.69Å; V380-D383 PolarHBondContact O-N 3Å; V380-V388 WeakPolarHBondContact O-CG2 3.22Å
381	A	96.8	Very high	96.3	Very high	2 Å²	2	43 Å²	43	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-34.1	-172.6	0	0	0	0	0	112.6	F377 F446	F377-A381 HydrophobicContact CD1-CB 4.37Å; F377-A381 HydrophobicContact CD2-CB 4.2Å; F377-A381 HydrophobicContact CE1-CB 4.01Å; F377-A381 HydrophobicContact CE2-CB 3.81Å; F377-A381 HydrophobicContact CG-CB 4.45Å; F377-A381 HydrophobicContact CZ-CB 3.71Å; F377-A381 WeakPolarHBondContact O-CB 3.1Å; F377-A381 PolarHBondContact O-N 3.43Å; A381-F446 HydrophobicContact CB-CD1 4.27Å; A381-F446 HydrophobicContact CB-CD2 4.23Å; A381-F446 HydrophobicContact CB-CE1 4.5Å; A381-F446 HydrophobicContact CB-CE2 4.49Å; A381-F446 HydrophobicContact CB-CG 4.16Å; A381-F446 WeakPolarHBondContact O-CB 3.17Å
382	F	96.1	Very high	96.2	Very high	28 Å²	28	40.9 Å²	40.9	12%	0.123	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	22.3	178.8	-66	-72.1	0	0	0	113.6	F377 E378 V380 E384 A434 F446 R452 V454	F377-F382 HydrophobicContact CE1-CE2 4.05Å; E378-F382 PolarHBondContact O-N 3.4Å; E378-F382 WeakPolarHBondContact OE2-CD2 3.29Å; V380-F382 VanDerWaalsContact C-N 3.34Å; V380-F382 PolarHBondContact O-N 2.69Å; F382-E384 PolarHBondContact O-N 2.71Å; F382-A434 HydrophobicContact CE2-CB 3.53Å; F382-A434 HydrophobicContact CZ-CB 3.66Å; F382-F446 HydrophobicContact CD1-CD1 4.31Å; F382-F446 AromaticContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CE1 4.24Å; F382-F446 HydrophobicContact CE2-CD1 4.47Å; F382-F446 HydrophobicContact CE2-CE1 4.41Å; F382-F446 AromaticContact CZ-CD1 3.83Å; F382-F446 HydrophobicContact CZ-CD1 3.83Å; F382-F446 AromaticContact CZ-CE1 3.86Å; F382-F446 HydrophobicContact CZ-CE1 3.86Å; F382-R452 HydrophobicContact CD1-CB 4.05Å; F382-R452 HydrophobicContact CD1-CG 4.1Å; F382-R452 HydrophobicContact CE1-CB 3.75Å; F382-R452 HydrophobicContact CE1-CG 4.23Å; F382-V454 HydrophobicContact CE1-CG2 4.22Å; F382-V454 HydrophobicContact CZ-CG2 4.2Å
383	D	96.1	Very high	96	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	21%	0.211	S	C	.	.			trans	-63.5	110.6	167.8	-178	-13.8	0	0	0	109.3	V380 K385 K386	V380-D383 PolarHBondContact O-N 3Å; D383-K385 PolarHBondContact O-N 2.89Å; D383-K385 WeakPolarHBondContact OD1-CB 3.3Å; D383-K385 PolarHBondContact OD1-N 3.16Å; D383-K386 HydrophobicContact CB-CB 4.17Å; D383-K386 HydrophobicContact CB-CG 4.09Å; D383-K386 PolarHBondContact O-N 2.65Å; D383-K386 WeakPolarHBondContact OD2-CG 3.36Å
384	E	95.1	Very high	95.6	Very high	135 Å²	135	43.5 Å²	43.5	63%	0.631	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-14.2	-178.1	-65.9	-178	-178.9	0	0	114.3	F382 S449	F382-E384 PolarHBondContact O-N 2.71Å; E384-S449 PolarHBondContact O-N 2.96Å; E384-S449 PolarHBondContact O-OG 3.07Å; E384-S449 VanDerWaalsContact O-OG 3.13Å
385	K	96.3	Very high	95.3	Very high	163 Å²	163	45.2 Å²	45.2	71%	0.709	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.6	179.3	-58.5	175.2	-175	171.2	0	113.6	D383	D383-K385 PolarHBondContact O-N 2.89Å; D383-K385 WeakPolarHBondContact OD1-CB 3.3Å; D383-K385 PolarHBondContact OD1-N 3.16Å
386	K	97.3	Very high	94.7	Very high	67 Å²	67	47.8 Å²	47.8	29%	0.291	23%	0.225	S	C	.	.			trans	-124	139.9	-172.6	-58.7	-63.5	-179	171.7	0	111.2	D383 V388 E418 N419 V421 A448	D383-K386 HydrophobicContact CB-CB 4.17Å; D383-K386 HydrophobicContact CB-CG 4.09Å; D383-K386 PolarHBondContact O-N 2.65Å; D383-K386 WeakPolarHBondContact OD2-CG 3.36Å; K386-V388 HydrophobicContact CB-CG2 3.91Å; K386-E418 PolarHBondContact NZ-O 2.98Å; K386-N419 CarbonylContact C-O 3.54Å; K386-N419 WeakPolarHBondContact CA-O 3.11Å; K386-V421 HydrophobicContact CB-CG2 4.23Å; K386-V421 HydrophobicContact CD-CG2 4.19Å; K386-V421 HydrophobicContact CG-CG2 4.3Å; K386-A448 WeakPolarHBondContact O-CA 3.4Å; K386-A448 PolarHBondContact O-N 2.96Å
387	N	97.8	Very high	94.2	Very high	30 Å²	30	48.4 Å²	48.4	16%	0.16	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	104.1	168.1	-69.6	-56.6	0	0	0	106.7	N419 I420 V421 F445 F446 A448	N387-N419 PolarHBondContact N-O 3.14Å; N387-I420 HydrophobicContact CB-CG1 4.05Å; N387-I420 CarbonylContact O-C 3.6Å; N387-I420 WeakPolarHBondContact O-CA 3.26Å; N387-V421 PolarHBondContact O-N 2.83Å; N387-F445 HydrophobicContact CB-CE2 3.77Å; N387-F445 HydrophobicContact CB-CZ 3.71Å; N387-F446 WeakPolarHBondContact CA-O 3.39Å; N387-A448 WeakPolarHBondContact OD1-CB 3.19Å; N387-A448 PolarHBondContact OD1-N 2.97Å
388	V	98.4	Very high	93.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.4	-172.8	-167.4	0	0	0	0	109.5	V380 K386 V390 V421 A423 F445 F446	V380-V388 WeakPolarHBondContact O-CG2 3.22Å; K386-V388 HydrophobicContact CB-CG2 3.91Å; V388-V390 HydrophobicContact CG1-CG2 3.71Å; V388-V421 WeakPolarHBondContact CA-O 3.3Å; V388-V421 HydrophobicContact CG1-CB 4.19Å; V388-V421 HydrophobicContact CG1-CG1 4.25Å; V388-V421 HydrophobicContact CG2-CB 4.23Å; V388-A423 HydrophobicContact CG1-CB 4.41Å; V388-F445 CarbonylContact O-C 3.52Å; V388-F445 WeakPolarHBondContact O-CA 3.36Å; V388-F445 VanDerWaalsContact O-CD2 3.25Å; V388-F445 WeakPolarHBondContact O-CD2 3.3Å; V388-F446 HydrophobicContact CB-CB 4.28Å; V388-F446 HydrophobicContact CB-CD2 4.49Å; V388-F446 PolarHBondContact N-O 2.79Å; V388-F446 WeakPolarHBondContact O-CD2 3.28Å; V388-F446 PolarHBondContact O-N 2.83Å
389	F	98.4	Very high	93.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.9	174.9	-162.3	-162.4	0	0	0	109.3	W407 L410 V421 I422 A423 L443 K444 F445 Y457 F466 F469 L470	F389-W407 AromaticContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CZ2 4.49Å; F389-W407 HydrophobicContact CD1-CZ3 4.15Å; F389-W407 HydrophobicContact CD2-CH2 4.09Å; F389-W407 AromaticContact CE1-CH2 3.73Å; F389-W407 HydrophobicContact CE1-CH2 3.73Å; F389-W407 AromaticContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE2-CH2 4.19Å; F389-W407 AromaticContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CZ2 4.43Å; F389-W407 HydrophobicContact CZ-CH2 4.02Å; F389-W407 HydrophobicContact CZ-CZ3 4.28Å; F389-L410 HydrophobicContact CD1-CD2 4.21Å; F389-L410 HydrophobicContact CE1-CD2 4.48Å; F389-V421 PolarHBondContact N-O 3.35Å; F389-I422 HydrophobicContact CB-CD1 4.11Å; F389-A423 PolarHBondContact O-N 3.07Å; F389-L443 HydrophobicContact CE2-CB 4.09Å; F389-L443 HydrophobicContact CZ-CB 4.34Å; F389-K444 WeakPolarHBondContact CD2-O 3.19Å; F389-F445 HydrophobicContact CB-CD2 3.92Å; F389-F445 HydrophobicContact CD2-CB 3.88Å; F389-F445 HydrophobicContact CD2-CD2 4.28Å; F389-F445 HydrophobicContact CE2-CB 4.28Å; F389-F445 HydrophobicContact CG-CD2 4.24Å; F389-Y457 HydrophobicContact CE2-CG 4.28Å; F389-Y457 HydrophobicContact CZ-CD1 4.3Å; F389-Y457 AromaticContact CZ-CD2 3.85Å; F389-Y457 HydrophobicContact CZ-CD2 3.85Å; F389-Y457 AromaticContact CZ-CG 3.68Å; F389-Y457 HydrophobicContact CZ-CG 3.68Å; F389-F466 HydrophobicContact CE1-CB 4.36Å; F389-F466 AromaticContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CG 4.33Å; F389-F466 HydrophobicContact CZ-CD1 4.18Å; F389-F469 HydrophobicContact CD2-CE1 4.39Å; F389-F469 HydrophobicContact CE1-CD1 4.11Å; F389-F469 HydrophobicContact CE1-CE1 4.4Å; F389-F469 HydrophobicContact CE2-CD1 4.47Å; F389-F469 AromaticContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CD1 4.02Å; F389-F469 AromaticContact CZ-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CE1 3.99Å; F389-L470 HydrophobicContact CB-CD2 4.02Å; F389-L470 HydrophobicContact CD1-CD1 4.18Å; F389-L470 HydrophobicContact CD1-CD2 3.97Å; F389-L470 HydrophobicContact CD1-CG 4.11Å; F389-L470 HydrophobicContact CG-CD2 4.25Å
390	V	98.5	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.8	-168.5	-172.1	0	0	0	0	110.5	L372 V388 F392 A423 K444 F446	L372-V390 HydrophobicContact CD1-CG1 4.17Å; L372-V390 HydrophobicContact CD1-CG2 4.04Å; V388-V390 HydrophobicContact CG1-CG2 3.71Å; V390-F392 HydrophobicContact CB-CD2 4.44Å; V390-F392 HydrophobicContact CB-CE2 3.77Å; V390-F392 HydrophobicContact CB-CZ 4.11Å; V390-F392 HydrophobicContact CG1-CD2 4.16Å; V390-F392 HydrophobicContact CG1-CE1 4.3Å; V390-F392 HydrophobicContact CG1-CE2 3.72Å; V390-F392 HydrophobicContact CG1-CZ 3.79Å; V390-A423 WeakPolarHBondContact CA-O 3.27Å; V390-A423 HydrophobicContact CG2-CB 4.16Å; V390-K444 PolarHBondContact N-O 2.87Å; V390-K444 PolarHBondContact O-N 2.86Å; V390-K444 VanDerWaalsContact O-N 3.08Å; V390-F446 HydrophobicContact CB-CE2 4.04Å; V390-F446 HydrophobicContact CG2-CD2 3.9Å; V390-F446 HydrophobicContact CG2-CE2 3.66Å
391	E	98.2	Very high	93.2	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.8	165.7	175.6	-168.3	-150.3	0	0	110.3	L403 W407 A423 K424 M425 P441 L443	E391-L403 HydrophobicContact CG-CD2 4.48Å; E391-W407 HydrophobicContact CB-CD2 4.05Å; E391-W407 HydrophobicContact CB-CG 4.44Å; E391-W407 HydrophobicContact CB-CH2 4.35Å; E391-W407 HydrophobicContact CB-CZ2 3.7Å; E391-A423 PolarHBondContact N-O 3.05Å; E391-K424 HydrophobicContact CB-CB 4.14Å; E391-K424 CarbonylContact O-C 3.59Å; E391-K424 VanDerWaalsContact O-CA 3.22Å; E391-K424 WeakPolarHBondContact O-CA 3.48Å; E391-M425 PolarHBondContact O-N 3.43Å; E391-P441 HydrophobicContact CG-CB 4.38Å; E391-L443 HydrophobicContact CB-CD2 3.7Å; E391-L443 HydrophobicContact CG-CD2 3.77Å
392	F	96.8	Very high	93	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.7	170.8	-62.4	-94.7	0	0	0	108.5	F377 V390 M425 S427 V435 V437 P441 T442 K444 F446	F377-F392 AromaticContact CE2-CE1 3.84Å; F377-F392 HydrophobicContact CE2-CE1 3.84Å; F377-F392 AromaticContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CZ-CE1 4.33Å; F377-F392 AromaticContact CZ-CZ 3.95Å; F377-F392 HydrophobicContact CZ-CZ 3.95Å; V390-F392 HydrophobicContact CB-CD2 4.44Å; V390-F392 HydrophobicContact CB-CE2 3.77Å; V390-F392 HydrophobicContact CB-CZ 4.11Å; V390-F392 HydrophobicContact CG1-CD2 4.16Å; V390-F392 HydrophobicContact CG1-CE1 4.3Å; V390-F392 HydrophobicContact CG1-CE2 3.72Å; V390-F392 HydrophobicContact CG1-CZ 3.79Å; F392-M425 HydrophobicContact CD1-CB 4.43Å; F392-M425 HydrophobicContact CD1-CE 3.72Å; F392-M425 HydrophobicContact CE1-CE 3.48Å; F392-M425 VanDerWaalsContact CE1-CE 3.48Å; F392-S427 VanDerWaalsContact CB-OG 3.3Å; F392-S427 WeakPolarHBondContact CB-OG 3.29Å; F392-S427 VanDerWaalsContact CD1-OG 3.31Å; F392-S427 WeakPolarHBondContact CD1-OG 3.19Å; F392-V435 HydrophobicContact CD1-CG1 4.31Å; F392-V435 HydrophobicContact CE1-CB 4.13Å; F392-V435 HydrophobicContact CE1-CG1 3.8Å; F392-V435 HydrophobicContact CE1-CG2 4.43Å; F392-V435 HydrophobicContact CE2-CG1 4.1Å; F392-V435 HydrophobicContact CZ-CB 4.08Å; F392-V435 HydrophobicContact CZ-CG1 3.69Å; F392-V435 HydrophobicContact CZ-CG2 3.93Å; F392-V437 HydrophobicContact CB-CG1 4.07Å; F392-V437 HydrophobicContact CB-CG2 3.73Å; F392-V437 HydrophobicContact CD1-CG2 3.69Å; F392-V437 HydrophobicContact CE1-CG2 4.46Å; F392-V437 HydrophobicContact CG-CG2 3.74Å; F392-P441 WeakPolarHBondContact O-CA 3.22Å; F392-T442 WeakPolarHBondContact CB-O 3.31Å; F392-T442 WeakPolarHBondContact CD2-O 3.43Å; F392-T442 PolarHBondContact N-O 2.81Å; F392-T442 PolarHBondContact O-N 2.92Å; F392-K444 HydrophobicContact CD2-CG 4.46Å; F392-K444 HydrophobicContact CE2-CB 3.98Å; F392-K444 HydrophobicContact CE2-CG 4.12Å; F392-F446 HydrophobicContact CE2-CE2 4.43Å; F392-F446 HydrophobicContact CE2-CZ 4.44Å; F392-F446 HydrophobicContact CZ-CE2 4.43Å; F392-F446 HydrophobicContact CZ-CZ 4.19Å
393	Y	93.7	Very high	93	Very high	56 Å²	56	56.6 Å²	56.6	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	167.4	-170.2	76.3	-84.5	0	0	0	113	P395 K424 M425 D426 S427	Y393-P395 HydrophobicContact CE2-CG 4.34Å; Y393-K424 HydrophobicContact CD1-CB 4.17Å; Y393-K424 HydrophobicContact CE1-CB 4.09Å; Y393-K424 HydrophobicContact CE1-CD 4.1Å; Y393-K424 HydrophobicContact CE1-CG 4.05Å; Y393-M425 VanDerWaalsContact CD1-O 3.32Å; Y393-M425 WeakPolarHBondContact CD1-O 3.42Å; Y393-M425 VanDerWaalsContact CE1-C 3.48Å; Y393-M425 PolarHBondContact N-O 3.08Å; Y393-M425 VanDerWaalsContact N-O 3.08Å; Y393-D426 HydrophobicContact CE1-CB 4.13Å; Y393-D426 HydrophobicContact CE2-CB 4.26Å; Y393-S427 PolarHBondContact O-N 3.46Å
394	A	87.2	Confident	93.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	27%	0.27	C	S	.	.			trans	-121.9	134	168.3	0	0	0	0	0	110.2	W396 C397 T428 F440	A394-W396 PolarHBondContact O-N 3.15Å; A394-W396 VanDerWaalsContact O-N 3.1Å; A394-C397 HydrophobicContact CB-CB 4.11Å; A394-C397 WeakPolarHBondContact O-CB 3.47Å; A394-C397 PolarHBondContact O-N 2.91Å; A394-T428 HydrophobicContact CB-CG2 3.42Å; A394-T428 VanDerWaalsContact CB-CG2 3.42Å; A394-F440 HydrophobicContact CB-CB 4.19Å; A394-F440 HydrophobicContact CB-CD1 4.08Å; A394-F440 HydrophobicContact CB-CD2 3.66Å; A394-F440 HydrophobicContact CB-CE1 4.42Å; A394-F440 HydrophobicContact CB-CE2 4.01Å; A394-F440 HydrophobicContact CB-CG 3.69Å; A394-F440 HydrophobicContact CB-CZ 4.38Å
395	P	85.3	Confident	93.2	Very high	57 Å²	57	52.9 Å²	52.9	37%	0.37	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.6	-175.7	-27.6	34.9	0	0	0	115.1	Y393 K401 D426	Y393-P395 HydrophobicContact CE2-CG 4.34Å; P395-K401 VanDerWaalsContact O-CE 3.24Å; P395-K401 WeakPolarHBondContact O-CE 3.48Å; P395-D426 WeakPolarHBondContact CG-OD2 3.3Å
396	W	79.3	Confident	93.3	Very high	166 Å²	166	47.5 Å²	47.5	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.2	-179.1	51.2	85.8	0	0	0	114.3	A394 G398 T428	A394-W396 PolarHBondContact O-N 3.15Å; A394-W396 VanDerWaalsContact O-N 3.1Å; W396-G398 PolarHBondContact O-N 3Å; W396-T428 VanDerWaalsContact CH2-CB 3.42Å; W396-T428 HydrophobicContact CH2-CG2 3.45Å; W396-T428 VanDerWaalsContact CH2-CG2 3.45Å; W396-T428 WeakPolarHBondContact CH2-OG1 3.48Å; W396-T428 HydrophobicContact CZ2-CG2 3.43Å; W396-T428 VanDerWaalsContact CZ2-CG2 3.43Å; W396-T428 HydrophobicContact CZ3-CG2 4.19Å
397	C	85.9	Confident	93.3	Very high	20 Å²	20	44.3 Å²	44.3	14%	0.135	23%	0.23	C	C	.	.			trans	-76.4	123.7	-179.1	174	0	0	0	0	111.4	A394 C400 K401 F440	A394-C397 HydrophobicContact CB-CB 4.11Å; A394-C397 WeakPolarHBondContact O-CB 3.47Å; A394-C397 PolarHBondContact O-N 2.91Å; C397-C400 HydrophobicContact CB-CB 3.89Å; C397-C400 WeakPolarHBondContact CB-SG 3.45Å; C397-C400 WeakPolarHBondContact O-CB 3.44Å; C397-C400 PolarHBondContact O-N 3.36Å; C397-C400 PolarHBondContact SG-N 3.01Å; C397-C400 PolarHBondContact SG-SG 3.43Å; C397-K401 PolarHBondContact O-N 3.13Å; C397-K401 VanDerWaalsContact O-N 3.15Å; C397-F440 HydrophobicContact CB-CB 4.16Å; C397-F440 PolarHBondContact SG-O 2.85Å; C397-F440 VanDerWaalsContact SG-O 3.37Å
398	G	85.3	Confident	93.3	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	24%	0.243	S	C	.	.	H	α-helix	trans	-59.6	-46	177.3	0	0	0	0	0	113	W396 C400 K401 Q402	W396-G398 PolarHBondContact O-N 3Å; G398-C400 VanDerWaalsContact C-N 3.31Å; G398-C400 PolarHBondContact O-N 3.22Å; G398-K401 WeakPolarHBondContact O-CB 3.3Å; G398-K401 PolarHBondContact O-N 3.23Å; G398-K401 VanDerWaalsContact O-N 3.1Å; G398-Q402 PolarHBondContact O-N 2.96Å
399	H	89.1	Confident	93.3	Very high	100 Å²	100	52.8 Å²	52.8	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-34.8	178	-61	-62.8	0	0	0	113	Q402 L403	H399-Q402 PolarHBondContact O-N 3.46Å; H399-L403 WeakPolarHBondContact O-CB 3.26Å; H399-L403 PolarHBondContact O-N 2.95Å
400	C	92.9	Very high	93.3	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.041	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-42.9	173.3	-64	0	0	0	0	111	C397 G398 Q402 L403 A404	C397-C400 HydrophobicContact CB-CB 3.89Å; C397-C400 WeakPolarHBondContact CB-SG 3.45Å; C397-C400 WeakPolarHBondContact O-CB 3.44Å; C397-C400 PolarHBondContact O-N 3.36Å; C397-C400 PolarHBondContact SG-N 3.01Å; C397-C400 PolarHBondContact SG-SG 3.43Å; G398-C400 VanDerWaalsContact C-N 3.31Å; G398-C400 PolarHBondContact O-N 3.22Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 3.27Å; C400-L403 PolarHBondContact O-N 3.21Å; C400-A404 PolarHBondContact O-N 3.49Å
401	K	91.9	Very high	93.3	Very high	140 Å²	140	52.8 Å²	52.8	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-63.1	-36.8	176.2	-68.4	177.5	-179.2	175.4	0	112.2	P395 C397 G398 P405	P395-K401 VanDerWaalsContact O-CE 3.24Å; P395-K401 WeakPolarHBondContact O-CE 3.48Å; C397-K401 PolarHBondContact O-N 3.13Å; C397-K401 VanDerWaalsContact O-N 3.15Å; G398-K401 WeakPolarHBondContact O-CB 3.3Å; G398-K401 PolarHBondContact O-N 3.23Å; G398-K401 VanDerWaalsContact O-N 3.1Å; K401-P405 WeakPolarHBondContact O-CD 3.4Å
402	Q	93.6	Very high	93.3	Very high	132 Å²	132	56.9 Å²	56.9	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-68.7	-35.6	175.2	-170.8	-179.1	2.7	0	0	112.3	G398 H399 C400 P405	G398-Q402 PolarHBondContact O-N 2.96Å; H399-Q402 PolarHBondContact O-N 3.46Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 3.27Å; Q402-P405 WeakPolarHBondContact O-CD 3.3Å
403	L	96.9	Very high	93.3	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-75.4	-32.6	179.1	-179.8	59	0	0	0	113	E391 H399 C400 P405 I406 W407 P441 L443 R461 F466	E391-L403 HydrophobicContact CG-CD2 4.48Å; H399-L403 WeakPolarHBondContact O-CB 3.26Å; H399-L403 PolarHBondContact O-N 2.95Å; C400-L403 PolarHBondContact O-N 3.21Å; L403-P405 VanDerWaalsContact C-CD 3.45Å; L403-P405 VanDerWaalsContact O-N 3.16Å; L403-I406 HydrophobicContact CD1-CB 4.21Å; L403-I406 WeakPolarHBondContact O-CA 3.26Å; L403-I406 WeakPolarHBondContact O-CB 3.36Å; L403-I406 PolarHBondContact O-N 3.48Å; L403-W407 PolarHBondContact O-N 3.14Å; L403-P441 HydrophobicContact CD2-CB 4.03Å; L403-P441 HydrophobicContact CD2-CG 3.79Å; L403-L443 HydrophobicContact CD2-CD1 4.21Å; L403-L443 HydrophobicContact CD2-CD2 4.02Å; L403-R461 HydrophobicContact CD1-CB 4.3Å; L403-F466 HydrophobicContact CD1-CE2 3.83Å; L403-F466 HydrophobicContact CD1-CZ 3.71Å
404	A	96.2	Very high	93.5	Very high	33 Å²	33	58.3 Å²	58.3	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-48.4	-45.5	-172.9	0	0	0	0	0	115.1	C400 I406 W407 D408	C400-A404 PolarHBondContact O-N 3.49Å; A404-I406 VanDerWaalsContact C-N 3.3Å; A404-I406 PolarHBondContact O-N 3.02Å; A404-W407 PolarHBondContact O-N 3.22Å; A404-D408 WeakPolarHBondContact O-CB 3.49Å; A404-D408 PolarHBondContact O-N 3.24Å
405	P	97.8	Very high	93.9	Very high	84 Å²	84	63.2 Å²	63.2	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-32.5	177.9	-18.5	31.5	0	0	0	113.6	K401 Q402 L403 K409	K401-P405 WeakPolarHBondContact O-CD 3.4Å; Q402-P405 WeakPolarHBondContact O-CD 3.3Å; L403-P405 VanDerWaalsContact C-CD 3.45Å; L403-P405 VanDerWaalsContact O-N 3.16Å; P405-K409 WeakPolarHBondContact O-CB 3.47Å; P405-K409 PolarHBondContact O-N 3.35Å
406	I	98.3	Very high	94.4	Very high	51 Å²	51	67.4 Å²	67.4	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-73.9	-42.3	178.9	-55	169.7	0	0	0	109	L403 A404 K409 L410 L463 F466	L403-I406 HydrophobicContact CD1-CB 4.21Å; L403-I406 WeakPolarHBondContact O-CA 3.26Å; L403-I406 WeakPolarHBondContact O-CB 3.36Å; L403-I406 PolarHBondContact O-N 3.48Å; A404-I406 VanDerWaalsContact C-N 3.3Å; A404-I406 PolarHBondContact O-N 3.02Å; I406-K409 PolarHBondContact O-N 3.17Å; I406-L410 PolarHBondContact O-N 2.79Å; I406-L463 HydrophobicContact CG2-CB 4.17Å; I406-F466 HydrophobicContact CG2-CD2 4.13Å; I406-F466 HydrophobicContact CG2-CE2 3.74Å
407	W	98.3	Very high	95.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-43.2	177.2	-157.3	-111	0	0	0	112.3	F389 E391 L403 A404 K409 L410 G411 I422 A423 L443 F466	F389-W407 AromaticContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CZ2 4.49Å; F389-W407 HydrophobicContact CD1-CZ3 4.15Å; F389-W407 HydrophobicContact CD2-CH2 4.09Å; F389-W407 AromaticContact CE1-CH2 3.73Å; F389-W407 HydrophobicContact CE1-CH2 3.73Å; F389-W407 AromaticContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE2-CH2 4.19Å; F389-W407 AromaticContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CZ2 4.43Å; F389-W407 HydrophobicContact CZ-CH2 4.02Å; F389-W407 HydrophobicContact CZ-CZ3 4.28Å; E391-W407 HydrophobicContact CB-CD2 4.05Å; E391-W407 HydrophobicContact CB-CG 4.44Å; E391-W407 HydrophobicContact CB-CH2 4.35Å; E391-W407 HydrophobicContact CB-CZ2 3.7Å; L403-W407 PolarHBondContact O-N 3.14Å; A404-W407 PolarHBondContact O-N 3.22Å; W407-K409 VanDerWaalsContact C-N 3.3Å; W407-K409 PolarHBondContact O-N 3.04Å; W407-L410 HydrophobicContact CE3-CD2 4Å; W407-L410 HydrophobicContact CH2-CD2 4.33Å; W407-L410 HydrophobicContact CZ3-CD2 3.9Å; W407-L410 WeakPolarHBondContact O-CB 3.4Å; W407-L410 PolarHBondContact O-N 2.68Å; W407-G411 PolarHBondContact O-N 3.49Å; W407-I422 HydrophobicContact CD2-CG2 4.28Å; W407-I422 HydrophobicContact CZ2-CG2 3.92Å; W407-A423 PolarHBondContact NE1-O 2.69Å; W407-L443 HydrophobicContact CH2-CD2 4.11Å; W407-L443 HydrophobicContact CZ3-CD1 4.15Å; W407-L443 HydrophobicContact CZ3-CD2 4.07Å; W407-F466 HydrophobicContact CE3-CD2 4.45Å; W407-F466 HydrophobicContact CE3-CE2 4.07Å; W407-F466 HydrophobicContact CE3-CZ 4.18Å; W407-F466 HydrophobicContact CZ3-CD1 4.32Å; W407-F466 HydrophobicContact CZ3-CD2 4.47Å; W407-F466 HydrophobicContact CZ3-CE1 4.09Å; W407-F466 HydrophobicContact CZ3-CE2 4.26Å; W407-F466 HydrophobicContact CZ3-CZ 4.07Å
408	D	98.1	Very high	95.7	Very high	79 Å²	79	71.3 Å²	71.3	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-39.8	174.6	-76.3	-11.3	0	0	0	111.5	A404 G411 E412	A404-D408 WeakPolarHBondContact O-CB 3.49Å; A404-D408 PolarHBondContact O-N 3.24Å; D408-G411 PolarHBondContact O-N 3.33Å; D408-E412 PolarHBondContact O-N 3.43Å
409	K	98.1	Very high	96.2	Very high	128 Å²	128	71.9 Å²	71.9	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-69.4	-33.2	176.6	-166.9	168.1	-178.2	179.7	0	112.7	P405 I406 W407 T413 L463	P405-K409 WeakPolarHBondContact O-CB 3.47Å; P405-K409 PolarHBondContact O-N 3.35Å; I406-K409 PolarHBondContact O-N 3.17Å; W407-K409 VanDerWaalsContact C-N 3.3Å; W407-K409 PolarHBondContact O-N 3.04Å; K409-T413 PolarHBondContact O-N 2.79Å; K409-T413 VanDerWaalsContact O-N 3.08Å; K409-T413 PolarHBondContact O-OG1 3.44Å; K409-L463 HydrophobicContact CD-CD2 3.95Å; K409-L463 HydrophobicContact CG-CD2 4Å
410	L	98.3	Very high	96.6	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-48.4	171.5	-176.3	68.5	0	0	0	110.3	F389 I406 W407 E412 T413 Y414 I422 L463 F466 L470	F389-L410 HydrophobicContact CD1-CD2 4.21Å; F389-L410 HydrophobicContact CE1-CD2 4.48Å; I406-L410 PolarHBondContact O-N 2.79Å; W407-L410 HydrophobicContact CE3-CD2 4Å; W407-L410 HydrophobicContact CH2-CD2 4.33Å; W407-L410 HydrophobicContact CZ3-CD2 3.9Å; W407-L410 WeakPolarHBondContact O-CB 3.4Å; W407-L410 PolarHBondContact O-N 2.68Å; L410-E412 VanDerWaalsContact C-N 3.35Å; L410-E412 PolarHBondContact O-N 2.86Å; L410-T413 WeakPolarHBondContact O-CB 3.44Å; L410-T413 PolarHBondContact O-N 3.31Å; L410-T413 VanDerWaalsContact O-N 3.1Å; L410-Y414 HydrophobicContact CD1-CD2 3.8Å; L410-Y414 HydrophobicContact CD1-CE2 3.65Å; L410-Y414 HydrophobicContact CG-CD2 4.3Å; L410-Y414 PolarHBondContact O-N 3.27Å; L410-Y414 VanDerWaalsContact O-N 3.15Å; L410-I422 HydrophobicContact CD2-CD1 3.93Å; L410-I422 HydrophobicContact CD2-CG1 4.45Å; L410-I422 HydrophobicContact CD2-CG2 4.31Å; L410-I422 HydrophobicContact CG-CD1 4.01Å; L410-I422 HydrophobicContact CG-CG1 4.17Å; L410-L463 HydrophobicContact CB-CD1 3.94Å; L410-L463 HydrophobicContact CD1-CD1 3.91Å; L410-F466 HydrophobicContact CD1-CB 3.75Å; L410-F466 HydrophobicContact CD2-CB 3.72Å; L410-F466 HydrophobicContact CD2-CD2 3.96Å; L410-F466 HydrophobicContact CD2-CG 3.95Å; L410-F466 HydrophobicContact CG-CB 4.36Å; L410-L470 HydrophobicContact CD1-CD1 4.07Å; L410-L470 HydrophobicContact CD2-CD1 4.38Å
411	G	98.3	Very high	96.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.1	-47.7	174.1	0	0	0	0	0	112.4	P368 W407 D408 T413 Y414 K415	P368-G411 VanDerWaalsContact CB-C 3.41Å; P368-G411 WeakPolarHBondContact CB-O 2.84Å; W407-G411 PolarHBondContact O-N 3.49Å; D408-G411 PolarHBondContact O-N 3.33Å; G411-T413 VanDerWaalsContact C-N 3.25Å; G411-T413 PolarHBondContact O-N 2.85Å; G411-Y414 PolarHBondContact O-N 3.11Å; G411-K415 PolarHBondContact O-N 3.09Å
412	E	98.1	Very high	97.2	Very high	92 Å²	92	62.4 Å²	62.4	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-33.4	177.7	-171.6	61.8	-158	0	0	112.6	P368 D408 L410 K415	P368-E412 WeakPolarHBondContact CG-OE2 3.41Å; D408-E412 PolarHBondContact O-N 3.43Å; L410-E412 VanDerWaalsContact C-N 3.35Å; L410-E412 PolarHBondContact O-N 2.86Å; E412-K415 WeakPolarHBondContact O-CG 3.38Å; E412-K415 WeakPolarHBondContact OE1-CE 3.37Å; E412-K415 IonicContact OE1-NZ 2.67Å; E412-K415 PolarHBondContact OE1-NZ 3.14Å
413	T	97.8	Very high	97.4	Very high	68 Å²	68	56.1 Å²	56.1	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-69.4	-38	178.3	-57.7	0	0	0	0	112.2	K409 L410 G411	K409-T413 PolarHBondContact O-N 2.79Å; K409-T413 VanDerWaalsContact O-N 3.08Å; K409-T413 PolarHBondContact O-OG1 3.44Å; L410-T413 WeakPolarHBondContact O-CB 3.44Å; L410-T413 PolarHBondContact O-N 3.31Å; L410-T413 VanDerWaalsContact O-N 3.1Å; G411-T413 VanDerWaalsContact C-N 3.25Å; G411-T413 PolarHBondContact O-N 2.85Å
414	Y	97.4	Very high	97.5	Very high	19 Å²	19	58.3 Å²	58.3	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-101.3	4.7	-175	-74.8	-76.2	0	0	0	114.4	L410 G411 D416 H417 I420 I422 K467 L470	L410-Y414 HydrophobicContact CD1-CD2 3.8Å; L410-Y414 HydrophobicContact CD1-CE2 3.65Å; L410-Y414 HydrophobicContact CG-CD2 4.3Å; L410-Y414 PolarHBondContact O-N 3.27Å; L410-Y414 VanDerWaalsContact O-N 3.15Å; G411-Y414 PolarHBondContact O-N 3.11Å; Y414-D416 PolarHBondContact O-N 2.85Å; Y414-D416 VanDerWaalsContact O-N 3.09Å; Y414-H417 HydrophobicContact CD1-CB 4.03Å; Y414-H417 AromaticContact CD1-CD2 3.96Å; Y414-H417 WeakPolarHBondContact O-CB 3.29Å; Y414-H417 PolarHBondContact O-N 2.89Å; Y414-I420 HydrophobicContact CD1-CB 4.16Å; Y414-I420 HydrophobicContact CD1-CD1 3.75Å; Y414-I420 HydrophobicContact CD1-CG2 3.96Å; Y414-I420 HydrophobicContact CE1-CD1 3.59Å; Y414-I420 HydrophobicContact CG-CG2 3.93Å; Y414-I422 HydrophobicContact CD2-CD1 4.5Å; Y414-K467 HydrophobicContact CE2-CG 4.22Å; Y414-L470 HydrophobicContact CD2-CD1 3.96Å; Y414-L470 HydrophobicContact CE2-CD1 3.53Å
415	K	96.2	Very high	97.5	Very high	104 Å²	104	56.9 Å²	56.9	45%	0.452	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.7	-174.6	73.7	-176.3	-178	178.9	0	115.1	P368 G411 E412	P368-K415 HydrophobicContact CB-CB 4.16Å; G411-K415 PolarHBondContact O-N 3.09Å; E412-K415 WeakPolarHBondContact O-CG 3.38Å; E412-K415 WeakPolarHBondContact OE1-CE 3.37Å; E412-K415 IonicContact OE1-NZ 2.67Å; E412-K415 PolarHBondContact OE1-NZ 3.14Å
416	D	95.6	Very high	97.3	Very high	145 Å²	145	53.6 Å²	53.6	78%	0.775	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	7	-179.3	-61.7	-49.4	0	0	0	112.1	Y414	Y414-D416 PolarHBondContact O-N 2.85Å; Y414-D416 VanDerWaalsContact O-N 3.09Å
417	H	96.3	Very high	97	Very high	89 Å²	89	52 Å²	52	41%	0.412	26%	0.256	S	S	.	.			trans	-73.5	138.2	179.7	-159.5	-89	0	0	0	111	Y414 N419 I420	Y414-H417 HydrophobicContact CD1-CB 4.03Å; Y414-H417 AromaticContact CD1-CD2 3.96Å; Y414-H417 WeakPolarHBondContact O-CB 3.29Å; Y414-H417 PolarHBondContact O-N 2.89Å; H417-N419 VanDerWaalsContact C-N 3.33Å; H417-N419 PolarHBondContact CE1-OD1 3.31Å; H417-N419 PolarHBondContact ND1-N 2.7Å; H417-N419 PolarHBondContact ND1-OD1 3.46Å; H417-N419 VanDerWaalsContact ND1-OD1 3.09Å; H417-N419 PolarHBondContact O-N 3.48Å; H417-I420 HydrophobicContact CB-CB 4.13Å; H417-I420 WeakPolarHBondContact ND1-CG1 3.47Å; H417-I420 PolarHBondContact ND1-N 2.9Å
418	E	95	Very high	96.1	Very high	178 Å²	178	52.8 Å²	52.8	83%	0.832	26%	0.261	S	S	*	.	S	Bend	trans	-64.4	-37.2	-172	-169.3	-176.7	175.6	0	0	112.7	K386	K386-E418 PolarHBondContact NZ-O 2.98Å
419	N	95.9	Very high	95.5	Very high	56 Å²	56	50 Å²	50	30%	0.299	25%	0.249	S	C	.	.	S	Bend	trans	-131.3	4.8	-172.6	70.2	5.9	0	0	0	115.6	K386 N387 H417	K386-N419 CarbonylContact C-O 3.54Å; K386-N419 WeakPolarHBondContact CA-O 3.11Å; N387-N419 PolarHBondContact N-O 3.14Å; H417-N419 VanDerWaalsContact C-N 3.33Å; H417-N419 PolarHBondContact CE1-OD1 3.31Å; H417-N419 PolarHBondContact ND1-N 2.7Å; H417-N419 PolarHBondContact ND1-OD1 3.46Å; H417-N419 VanDerWaalsContact ND1-OD1 3.09Å; H417-N419 PolarHBondContact O-N 3.48Å
420	I	97.9	Very high	95.1	Very high	18 Å²	18	44 Å²	44	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.2	177.2	-71.3	169.7	0	0	0	109	N387 Y414 H417 I422 L470	N387-I420 HydrophobicContact CB-CG1 4.05Å; N387-I420 CarbonylContact O-C 3.6Å; N387-I420 WeakPolarHBondContact O-CA 3.26Å; Y414-I420 HydrophobicContact CD1-CB 4.16Å; Y414-I420 HydrophobicContact CD1-CD1 3.75Å; Y414-I420 HydrophobicContact CD1-CG2 3.96Å; Y414-I420 HydrophobicContact CE1-CD1 3.59Å; Y414-I420 HydrophobicContact CG-CG2 3.93Å; H417-I420 HydrophobicContact CB-CB 4.13Å; H417-I420 WeakPolarHBondContact ND1-CG1 3.47Å; H417-I420 PolarHBondContact ND1-N 2.9Å; I420-I422 HydrophobicContact CG2-CD1 3.91Å; I420-L470 HydrophobicContact CD1-CB 4.41Å; I420-L470 HydrophobicContact CG2-CD1 4.44Å; I420-L470 HydrophobicContact CG2-CD2 4.36Å
421	V	98.3	Very high	94.4	Very high	25 Å²	25	45.9 Å²	45.9	15%	0.152	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.4	175.6	179.9	0	0	0	0	108.6	K370 K386 N387 V388 F389	K370-V421 HydrophobicContact CB-CG1 4.42Å; K370-V421 HydrophobicContact CG-CG1 3.67Å; K386-V421 HydrophobicContact CB-CG2 4.23Å; K386-V421 HydrophobicContact CD-CG2 4.19Å; K386-V421 HydrophobicContact CG-CG2 4.3Å; N387-V421 PolarHBondContact O-N 2.83Å; V388-V421 WeakPolarHBondContact CA-O 3.3Å; V388-V421 HydrophobicContact CG1-CB 4.19Å; V388-V421 HydrophobicContact CG1-CG1 4.25Å; V388-V421 HydrophobicContact CG2-CB 4.23Å; F389-V421 PolarHBondContact N-O 3.35Å
422	I	98.7	Very high	93.8	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.4	171.1	-51.6	-55	0	0	0	107.6	V369 K370 F389 W407 L410 Y414 I420 L470	V369-I422 WeakPolarHBondContact CA-O 3.19Å; V369-I422 HydrophobicContact CG1-CG2 4.46Å; V369-I422 HydrophobicContact CG2-CG2 4.15Å; K370-I422 PolarHBondContact N-O 3.48Å; F389-I422 HydrophobicContact CB-CD1 4.11Å; W407-I422 HydrophobicContact CD2-CG2 4.28Å; W407-I422 HydrophobicContact CZ2-CG2 3.92Å; L410-I422 HydrophobicContact CD2-CD1 3.93Å; L410-I422 HydrophobicContact CD2-CG1 4.45Å; L410-I422 HydrophobicContact CD2-CG2 4.31Å; L410-I422 HydrophobicContact CG-CD1 4.01Å; L410-I422 HydrophobicContact CG-CG1 4.17Å; Y414-I422 HydrophobicContact CD2-CD1 4.5Å; I420-I422 HydrophobicContact CG2-CD1 3.91Å; I422-L470 HydrophobicContact CD1-CD1 3.9Å
423	A	98.6	Very high	93	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.1	-176	0	0	0	0	0	112	K370 L372 V388 F389 V390 E391 W407	K370-A423 HydrophobicContact CB-CB 4.14Å; K370-A423 CarbonylContact O-C 3.53Å; K370-A423 WeakPolarHBondContact O-CA 3.48Å; L372-A423 HydrophobicContact CD1-CB 3.73Å; L372-A423 HydrophobicContact CD2-CB 4.33Å; L372-A423 HydrophobicContact CG-CB 3.81Å; V388-A423 HydrophobicContact CG1-CB 4.41Å; F389-A423 PolarHBondContact O-N 3.07Å; V390-A423 WeakPolarHBondContact CA-O 3.27Å; V390-A423 HydrophobicContact CG2-CB 4.16Å; E391-A423 PolarHBondContact N-O 3.05Å; W407-A423 PolarHBondContact NE1-O 2.69Å
424	K	98.4	Very high	92.3	Very high	52 Å²	52	48.5 Å²	48.5	23%	0.226	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.5	170.7	66.3	-175.1	174.8	-169.3	0	111.4	V369 K370 L372 E391 Y393	V369-K424 HydrophobicContact CG1-CB 4.19Å; V369-K424 HydrophobicContact CG1-CD 3.97Å; V369-K424 HydrophobicContact CG1-CG 3.88Å; K370-K424 PolarHBondContact O-N 2.92Å; L372-K424 PolarHBondContact N-O 3.05Å; E391-K424 HydrophobicContact CB-CB 4.14Å; E391-K424 CarbonylContact O-C 3.59Å; E391-K424 VanDerWaalsContact O-CA 3.22Å; E391-K424 WeakPolarHBondContact O-CA 3.48Å; Y393-K424 HydrophobicContact CD1-CB 4.17Å; Y393-K424 HydrophobicContact CE1-CB 4.09Å; Y393-K424 HydrophobicContact CE1-CD 4.1Å; Y393-K424 HydrophobicContact CE1-CG 4.05Å
425	M	97.1	Very high	91.8	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.4	176.5	-169.9	164	79.6	0	0	110.4	L372 F377 E391 F392 Y393 S427 N430 V432	L372-M425 HydrophobicContact CB-CB 4.16Å; L372-M425 HydrophobicContact CB-CG 4.4Å; L372-M425 HydrophobicContact CB-SD 4.3Å; L372-M425 WeakPolarHBondContact O-CG 3.46Å; F377-M425 HydrophobicContact CB-SD 4.26Å; F377-M425 HydrophobicContact CD2-CE 4.16Å; F377-M425 HydrophobicContact CD2-SD 3.88Å; F377-M425 HydrophobicContact CG-SD 4.34Å; E391-M425 PolarHBondContact O-N 3.43Å; F392-M425 HydrophobicContact CD1-CB 4.43Å; F392-M425 HydrophobicContact CD1-CE 3.72Å; F392-M425 HydrophobicContact CE1-CE 3.48Å; F392-M425 VanDerWaalsContact CE1-CE 3.48Å; Y393-M425 VanDerWaalsContact CD1-O 3.32Å; Y393-M425 WeakPolarHBondContact CD1-O 3.42Å; Y393-M425 VanDerWaalsContact CE1-C 3.48Å; Y393-M425 PolarHBondContact N-O 3.08Å; Y393-M425 VanDerWaalsContact N-O 3.08Å; M425-S427 PolarHBondContact O-N 3.34Å; M425-S427 VanDerWaalsContact O-N 3.08Å; M425-S427 PolarHBondContact O-OG 3.45Å; M425-N430 HydrophobicContact CE-CB 4.31Å; M425-N430 HydrophobicContact CG-CB 3.94Å; M425-N430 HydrophobicContact SD-CB 3.92Å; M425-V432 HydrophobicContact CE-CG1 3.84Å; M425-V432 HydrophobicContact CE-CG2 3.9Å; M425-V432 HydrophobicContact SD-CG1 4.19Å
426	D	93.6	Very high	90.8	Very high	16 Å²	16	46.1 Å²	46.1	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	104.6	168.4	-176.2	-19.2	0	0	0	108.6	Y393 P395 T428 A429 N430	Y393-D426 HydrophobicContact CE1-CB 4.13Å; Y393-D426 HydrophobicContact CE2-CB 4.26Å; P395-D426 WeakPolarHBondContact CG-OD2 3.3Å; D426-T428 PolarHBondContact O-N 3.37Å; D426-T428 WeakPolarHBondContact OD1-CB 3.4Å; D426-T428 PolarHBondContact OD1-N 2.82Å; D426-T428 PolarHBondContact OD1-OG1 2.75Å; D426-A429 PolarHBondContact O-N 3.45Å; D426-A429 PolarHBondContact OD1-N 3.18Å; D426-N430 WeakPolarHBondContact O-CB 3.46Å; D426-N430 PolarHBondContact O-N 2.95Å; D426-N430 VanDerWaalsContact O-N 3.12Å; D426-N430 PolarHBondContact O-ND2 2.9Å
427	S	90.4	Very high	90.2	Very high	17 Å²	17	41 Å²	41	12%	0.119	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.6	-174.7	-62.2	0	0	0	0	113.2	F392 Y393 M425 N430	F392-S427 VanDerWaalsContact CB-OG 3.3Å; F392-S427 WeakPolarHBondContact CB-OG 3.29Å; F392-S427 VanDerWaalsContact CD1-OG 3.31Å; F392-S427 WeakPolarHBondContact CD1-OG 3.19Å; Y393-S427 PolarHBondContact O-N 3.46Å; M425-S427 PolarHBondContact O-N 3.34Å; M425-S427 VanDerWaalsContact O-N 3.08Å; M425-S427 PolarHBondContact O-OG 3.45Å; S427-N430 CarbonylContact C-O 3.57Å; S427-N430 WeakPolarHBondContact CA-O 3.23Å
428	T	80.9	Confident	89.2	Confident	17 Å²	17	42.4 Å²	42.4	10%	0.104	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-26.4	171.4	72.9	0	0	0	0	111.5	A394 W396 D426 F440	A394-T428 HydrophobicContact CB-CG2 3.42Å; A394-T428 VanDerWaalsContact CB-CG2 3.42Å; W396-T428 VanDerWaalsContact CH2-CB 3.42Å; W396-T428 HydrophobicContact CH2-CG2 3.45Å; W396-T428 VanDerWaalsContact CH2-CG2 3.45Å; W396-T428 WeakPolarHBondContact CH2-OG1 3.48Å; W396-T428 HydrophobicContact CZ2-CG2 3.43Å; W396-T428 VanDerWaalsContact CZ2-CG2 3.43Å; W396-T428 HydrophobicContact CZ3-CG2 4.19Å; D426-T428 PolarHBondContact O-N 3.37Å; D426-T428 WeakPolarHBondContact OD1-CB 3.4Å; D426-T428 PolarHBondContact OD1-N 2.82Å; D426-T428 PolarHBondContact OD1-OG1 2.75Å; T428-F440 HydrophobicContact CG2-CZ 4.34Å
429	A	85.5	Confident	88.6	Confident	20 Å²	20	36.4 Å²	36.4	17%	0.165	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-5.4	-179.5	0	0	0	0	0	113.4	Q358 D426	Q358-A429 VanDerWaalsContact CD-CB 3.4Å; Q358-A429 HydrophobicContact CG-CB 3.6Å; D426-A429 PolarHBondContact O-N 3.45Å; D426-A429 PolarHBondContact OD1-N 3.18Å
430	N	88.3	Confident	88.2	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.194	C	C	.	.			trans	-136.5	137.1	179.8	-57.2	-86.5	0	0	0	110.8	M356 S357 Q358 V373 G374 M425 D426 S427	M356-N430 CarbonylContact O-C 3.53Å; M356-N430 WeakPolarHBondContact O-CA 3.47Å; S357-N430 WeakPolarHBondContact CA-OD1 3.15Å; S357-N430 PolarHBondContact OG-OD1 3.28Å; Q358-N430 PolarHBondContact N-OD1 2.95Å; Q358-N430 PolarHBondContact OE1-ND2 2.91Å; V373-N430 VanDerWaalsContact CA-OD1 3.3Å; V373-N430 WeakPolarHBondContact CA-OD1 3.43Å; V373-N430 WeakPolarHBondContact CB-OD1 3.32Å; G374-N430 PolarHBondContact N-OD1 2.79Å; G374-N430 VanDerWaalsContact N-OD1 3.12Å; M425-N430 HydrophobicContact CE-CB 4.31Å; M425-N430 HydrophobicContact CG-CB 3.94Å; M425-N430 HydrophobicContact SD-CB 3.92Å; D426-N430 WeakPolarHBondContact O-CB 3.46Å; D426-N430 PolarHBondContact O-N 2.95Å; D426-N430 VanDerWaalsContact O-N 3.12Å; D426-N430 PolarHBondContact O-ND2 2.9Å; S427-N430 CarbonylContact C-O 3.57Å; S427-N430 WeakPolarHBondContact CA-O 3.23Å
431	E	84.8	Confident	88.1	Confident	39 Å²	39	35.9 Å²	35.9	18%	0.182	19%	0.19	C	C	.	.			trans	-126.6	142.2	172.6	-66.1	175.6	159.8	0	0	108.8	K326 L355 M356	K326-E431 VanDerWaalsContact CD-OE1 3.25Å; K326-E431 WeakPolarHBondContact CD-OE1 3.32Å; K326-E431 WeakPolarHBondContact CE-OE1 3.3Å; K326-E431 IonicContact NZ-OE1 3.44Å; K326-E431 PolarHBondContact NZ-OE1 2.8Å; L355-E431 HydrophobicContact CB-CB 4.25Å; L355-E431 HydrophobicContact CD2-CB 3.76Å; M356-E431 PolarHBondContact O-N 2.92Å
432	V	84.5	Confident	87.9	Confident	11 Å²	11	35.5 Å²	35.5	7%	0.067	19%	0.188	C	C	.	.			trans	-131.5	151.6	-179.8	-66.5	0	0	0	0	109.8	F377 M425 V435	F377-V432 HydrophobicContact CB-CG1 3.73Å; F377-V432 HydrophobicContact CD1-CB 3.89Å; F377-V432 HydrophobicContact CD1-CG1 3.68Å; F377-V432 HydrophobicContact CD1-CG2 4.06Å; F377-V432 HydrophobicContact CD2-CG1 4.38Å; F377-V432 HydrophobicContact CE1-CB 4.22Å; F377-V432 HydrophobicContact CE1-CG1 4.42Å; F377-V432 HydrophobicContact CE1-CG2 3.95Å; F377-V432 HydrophobicContact CG-CB 4.33Å; F377-V432 HydrophobicContact CG-CG1 3.66Å; F377-V432 HydrophobicContact CG-CG2 4.44Å; F377-V432 HydrophobicContact CZ-CG2 4.26Å; M425-V432 HydrophobicContact CE-CG1 3.84Å; M425-V432 HydrophobicContact CE-CG2 3.9Å; M425-V432 HydrophobicContact SD-CG1 4.19Å; V432-V435 HydrophobicContact CG2-CB 3.79Å; V432-V435 HydrophobicContact CG2-CG2 4.42Å; V432-V435 VanDerWaalsContact O-O 3.1Å
433	E	82.3	Confident	87.8	Confident	165 Å²	165	35.6 Å²	35.6	77%	0.771	19%	0.188	S	C	*	.	S	Bend	trans	-69.8	-40.5	-176.4	-168.2	173	177	0	0	111.5	L355 V435	L355-E433 HydrophobicContact CD1-CB 3.94Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 2.89Å
434	A	83.9	Confident	87.7	Confident	38 Å²	38	36.9 Å²	36.9	31%	0.314	19%	0.194	S	C	.	.	S	Bend	trans	-77.6	-15	-171.6	0	0	0	0	0	114.8	F382	F382-A434 HydrophobicContact CE2-CB 3.53Å; F382-A434 HydrophobicContact CZ-CB 3.66Å
435	V	85.1	Confident	87.7	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.055	18%	0.183	C	C	.	.			trans	-136.3	127.8	-176.1	-179.2	0	0	0	0	109.9	F377 F392 V432 E433 V437 K444 F446	F377-V435 HydrophobicContact CE1-CG2 4.26Å; F377-V435 HydrophobicContact CZ-CG2 3.77Å; F392-V435 HydrophobicContact CD1-CG1 4.31Å; F392-V435 HydrophobicContact CE1-CB 4.13Å; F392-V435 HydrophobicContact CE1-CG1 3.8Å; F392-V435 HydrophobicContact CE1-CG2 4.43Å; F392-V435 HydrophobicContact CE2-CG1 4.1Å; F392-V435 HydrophobicContact CZ-CB 4.08Å; F392-V435 HydrophobicContact CZ-CG1 3.69Å; F392-V435 HydrophobicContact CZ-CG2 3.93Å; V432-V435 HydrophobicContact CG2-CB 3.79Å; V432-V435 HydrophobicContact CG2-CG2 4.42Å; V432-V435 VanDerWaalsContact O-O 3.1Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 2.89Å; V435-V437 HydrophobicContact CG1-CG2 3.86Å; V435-K444 HydrophobicContact CG1-CD 3.71Å; V435-K444 HydrophobicContact CG2-CD 4.37Å; V435-F446 HydrophobicContact CG2-CE1 3.96Å; V435-F446 HydrophobicContact CG2-CZ 3.71Å
436	K	75.9	Confident	87.7	Confident	65 Å²	65	34.5 Å²	34.5	28%	0.283	18%	0.184	S	C	.	.			trans	-107.1	137.5	169.7	-56.3	-59	-178.3	179.4	0	108.7
437	V	82.7	Confident	87.8	Confident	38 Å²	38	34.9 Å²	34.9	23%	0.23	19%	0.187	C	C	.	.			trans	-130	114.5	-175.1	-176.6	0	0	0	0	108.2	F392 V435 S439 F440	F392-V437 HydrophobicContact CB-CG1 4.07Å; F392-V437 HydrophobicContact CB-CG2 3.73Å; F392-V437 HydrophobicContact CD1-CG2 3.69Å; F392-V437 HydrophobicContact CE1-CG2 4.46Å; F392-V437 HydrophobicContact CG-CG2 3.74Å; V435-V437 HydrophobicContact CG1-CG2 3.86Å; V437-S439 WeakPolarHBondContact CG1-O 3.32Å; V437-F440 HydrophobicContact CB-CE1 4.42Å; V437-F440 HydrophobicContact CG1-CD1 3.83Å; V437-F440 HydrophobicContact CG1-CE1 3.46Å; V437-F440 VanDerWaalsContact CG1-CE1 3.46Å; V437-F440 HydrophobicContact CG1-CZ 4.3Å
438	H	75.3	Confident	88	Confident	117 Å²	117	35.2 Å²	35.2	54%	0.542	19%	0.19	S	C	.	.			trans	-104.8	-26.8	-178.5	9.9	81.5	0	0	0	112.3
439	S	82.8	Confident	88.6	Confident	53 Å²	53	39.3 Å²	39.3	37%	0.371	22%	0.22	S	C	.	.	S	Bend	trans	-132.9	158.5	-179	63.5	0	0	0	0	111.4	V437 T442	V437-S439 WeakPolarHBondContact CG1-O 3.32Å; S439-T442 PolarHBondContact O-OG1 2.87Å
440	F	88.2	Confident	88.8	Confident	61 Å²	61	39.8 Å²	39.8	27%	0.268	22%	0.224	S	C	.	.	S	Bend	trans	-128.3	137.5	-175.4	-53	-70.6	0	0	0	111.6	A394 C397 T428 V437	A394-F440 HydrophobicContact CB-CB 4.19Å; A394-F440 HydrophobicContact CB-CD1 4.08Å; A394-F440 HydrophobicContact CB-CD2 3.66Å; A394-F440 HydrophobicContact CB-CE1 4.42Å; A394-F440 HydrophobicContact CB-CE2 4.01Å; A394-F440 HydrophobicContact CB-CG 3.69Å; A394-F440 HydrophobicContact CB-CZ 4.38Å; C397-F440 HydrophobicContact CB-CB 4.16Å; C397-F440 PolarHBondContact SG-O 2.85Å; C397-F440 VanDerWaalsContact SG-O 3.37Å; T428-F440 HydrophobicContact CG2-CZ 4.34Å; V437-F440 HydrophobicContact CB-CE1 4.42Å; V437-F440 HydrophobicContact CG1-CD1 3.83Å; V437-F440 HydrophobicContact CG1-CE1 3.46Å; V437-F440 VanDerWaalsContact CG1-CE1 3.46Å; V437-F440 HydrophobicContact CG1-CZ 4.3Å
441	P	94.3	Very high	88.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.013	26%	0.259	C	S	.	.	S	Bend	cis	-72.6	144.3	-11.2	30.1	-33.5	0	0	0	111.6	E391 F392 L403 L443 R461	E391-P441 HydrophobicContact CG-CB 4.38Å; F392-P441 WeakPolarHBondContact O-CA 3.22Å; L403-P441 HydrophobicContact CD2-CB 4.03Å; L403-P441 HydrophobicContact CD2-CG 3.79Å; P441-L443 HydrophobicContact CB-CD2 4.38Å; P441-R461 PolarHBondContact O-NH2 3.43Å
442	T	95	Very high	89.1	Confident	17 Å²	17	50.6 Å²	50.6	10%	0.104	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.1	164.2	-71.9	0	0	0	0	108.2	F392 S439 K444	F392-T442 WeakPolarHBondContact CB-O 3.31Å; F392-T442 WeakPolarHBondContact CD2-O 3.43Å; F392-T442 PolarHBondContact N-O 2.81Å; F392-T442 PolarHBondContact O-N 2.92Å; S439-T442 PolarHBondContact O-OG1 2.87Å; T442-K444 HydrophobicContact CG2-CD 4.49Å; T442-K444 HydrophobicContact CG2-CG 4.02Å
443	L	96.7	Very high	89.5	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.8	-175.6	-57.5	-175.8	0	0	0	109.1	F389 E391 L403 W407 P441 Y457 F466	F389-L443 HydrophobicContact CE2-CB 4.09Å; F389-L443 HydrophobicContact CZ-CB 4.34Å; E391-L443 HydrophobicContact CB-CD2 3.7Å; E391-L443 HydrophobicContact CG-CD2 3.77Å; L403-L443 HydrophobicContact CD2-CD1 4.21Å; L403-L443 HydrophobicContact CD2-CD2 4.02Å; W407-L443 HydrophobicContact CH2-CD2 4.11Å; W407-L443 HydrophobicContact CZ3-CD1 4.15Å; W407-L443 HydrophobicContact CZ3-CD2 4.07Å; P441-L443 HydrophobicContact CB-CD2 4.38Å; L443-Y457 HydrophobicContact CB-CD1 4.3Å; L443-Y457 HydrophobicContact CB-CG 4.5Å; L443-Y457 HydrophobicContact CD1-CD1 3.79Å; L443-Y457 HydrophobicContact CD1-CE1 4.33Å; L443-Y457 PolarHBondContact O-N 2.79Å; L443-F466 HydrophobicContact CD1-CE1 3.61Å; L443-F466 HydrophobicContact CD1-CZ 3.94Å
444	K	96.8	Very high	90.1	Very high	27 Å²	27	48 Å²	48	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.8	179.9	-54.1	-164.8	176	-116	0	112.4	F389 V390 F392 V435 T442 F446 V454 I455 D456	F389-K444 WeakPolarHBondContact CD2-O 3.19Å; V390-K444 PolarHBondContact N-O 2.87Å; V390-K444 PolarHBondContact O-N 2.86Å; V390-K444 VanDerWaalsContact O-N 3.08Å; F392-K444 HydrophobicContact CD2-CG 4.46Å; F392-K444 HydrophobicContact CE2-CB 3.98Å; F392-K444 HydrophobicContact CE2-CG 4.12Å; V435-K444 HydrophobicContact CG1-CD 3.71Å; V435-K444 HydrophobicContact CG2-CD 4.37Å; T442-K444 HydrophobicContact CG2-CD 4.49Å; T442-K444 HydrophobicContact CG2-CG 4.02Å; K444-F446 HydrophobicContact CB-CE2 3.99Å; K444-F446 HydrophobicContact CB-CZ 4.05Å; K444-F446 WeakPolarHBondContact O-CE2 3.44Å; K444-V454 HydrophobicContact CB-CG1 3.85Å; K444-V454 HydrophobicContact CD-CG1 3.72Å; K444-V454 HydrophobicContact CG-CG1 4.34Å; K444-I455 WeakPolarHBondContact CA-O 3.21Å; K444-D456 WeakPolarHBondContact CD-OD1 3.49Å; K444-D456 VanDerWaalsContact CE-OD1 3.23Å; K444-D456 WeakPolarHBondContact CE-OD1 3.22Å; K444-D456 VanDerWaalsContact CG-OD1 3.29Å; K444-D456 WeakPolarHBondContact CG-OD1 3.2Å; K444-D456 IonicContact NZ-OD1 3.57Å; K444-D456 PolarHBondContact NZ-OD1 2.66Å; K444-D456 IonicContact NZ-OD2 3.53Å; K444-D456 PolarHBondContact NZ-OD2 3.17Å
445	F	97.2	Very high	90.6	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.6	-178.4	-178.2	-116.8	0	0	0	111.6	N387 V388 F389 P447 V454 I455 F469 L470	N387-F445 HydrophobicContact CB-CE2 3.77Å; N387-F445 HydrophobicContact CB-CZ 3.71Å; V388-F445 CarbonylContact O-C 3.52Å; V388-F445 WeakPolarHBondContact O-CA 3.36Å; V388-F445 VanDerWaalsContact O-CD2 3.25Å; V388-F445 WeakPolarHBondContact O-CD2 3.3Å; F389-F445 HydrophobicContact CB-CD2 3.92Å; F389-F445 HydrophobicContact CD2-CB 3.88Å; F389-F445 HydrophobicContact CD2-CD2 4.28Å; F389-F445 HydrophobicContact CE2-CB 4.28Å; F389-F445 HydrophobicContact CG-CD2 4.24Å; F445-P447 HydrophobicContact CD1-CB 4.47Å; F445-P447 HydrophobicContact CD1-CG 3.82Å; F445-P447 HydrophobicContact CE1-CB 3.89Å; F445-P447 HydrophobicContact CE1-CG 3.72Å; F445-P447 HydrophobicContact CZ-CB 4.48Å; F445-V454 WeakPolarHBondContact O-CA 3.13Å; F445-I455 HydrophobicContact CB-CB 4.37Å; F445-I455 HydrophobicContact CD1-CD1 4.25Å; F445-I455 PolarHBondContact N-O 3.2Å; F445-I455 PolarHBondContact O-N 3.16Å; F445-F469 HydrophobicContact CB-CE1 3.56Å; F445-F469 HydrophobicContact CB-CZ 3.75Å; F445-F469 HydrophobicContact CD1-CE1 4.06Å; F445-F469 HydrophobicContact CD1-CZ 4.18Å; F445-F469 HydrophobicContact CD2-CE1 4.31Å; F445-F469 AromaticContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CZ 4.14Å; F445-L470 HydrophobicContact CD2-CD2 4.07Å; F445-L470 HydrophobicContact CE2-CD2 3.68Å; F445-L470 HydrophobicContact CZ-CD2 4.43Å
446	F	96.9	Very high	90.9	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	96.5	-176.6	-54.6	-95.7	0	0	0	107.1	F377 A381 F382 N387 V388 V390 F392 V435 K444 V454	F377-F446 HydrophobicContact CE2-CZ 4.37Å; F377-F446 HydrophobicContact CZ-CE1 4.02Å; F377-F446 HydrophobicContact CZ-CE2 4.39Å; F377-F446 AromaticContact CZ-CZ 3.73Å; F377-F446 HydrophobicContact CZ-CZ 3.73Å; A381-F446 HydrophobicContact CB-CD1 4.27Å; A381-F446 HydrophobicContact CB-CD2 4.23Å; A381-F446 HydrophobicContact CB-CE1 4.5Å; A381-F446 HydrophobicContact CB-CE2 4.49Å; A381-F446 HydrophobicContact CB-CG 4.16Å; A381-F446 WeakPolarHBondContact O-CB 3.17Å; F382-F446 HydrophobicContact CD1-CD1 4.31Å; F382-F446 AromaticContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CE1 4.24Å; F382-F446 HydrophobicContact CE2-CD1 4.47Å; F382-F446 HydrophobicContact CE2-CE1 4.41Å; F382-F446 AromaticContact CZ-CD1 3.83Å; F382-F446 HydrophobicContact CZ-CD1 3.83Å; F382-F446 AromaticContact CZ-CE1 3.86Å; F382-F446 HydrophobicContact CZ-CE1 3.86Å; N387-F446 WeakPolarHBondContact CA-O 3.39Å; V388-F446 HydrophobicContact CB-CB 4.28Å; V388-F446 HydrophobicContact CB-CD2 4.49Å; V388-F446 PolarHBondContact N-O 2.79Å; V388-F446 WeakPolarHBondContact O-CD2 3.28Å; V388-F446 PolarHBondContact O-N 2.83Å; V390-F446 HydrophobicContact CB-CE2 4.04Å; V390-F446 HydrophobicContact CG2-CD2 3.9Å; V390-F446 HydrophobicContact CG2-CE2 3.66Å; F392-F446 HydrophobicContact CE2-CE2 4.43Å; F392-F446 HydrophobicContact CE2-CZ 4.44Å; F392-F446 HydrophobicContact CZ-CE2 4.43Å; F392-F446 HydrophobicContact CZ-CZ 4.19Å; V435-F446 HydrophobicContact CG2-CE1 3.96Å; V435-F446 HydrophobicContact CG2-CZ 3.71Å; K444-F446 HydrophobicContact CB-CE2 3.99Å; K444-F446 HydrophobicContact CB-CZ 4.05Å; K444-F446 WeakPolarHBondContact O-CE2 3.44Å; F446-V454 HydrophobicContact CD1-CG1 4.27Å; F446-V454 HydrophobicContact CD1-CG2 3.83Å; F446-V454 HydrophobicContact CE1-CB 4.26Å; F446-V454 HydrophobicContact CE1-CG1 3.72Å; F446-V454 HydrophobicContact CE1-CG2 3.59Å; F446-V454 HydrophobicContact CZ-CG1 3.94Å
447	P	96.2	Very high	91.8	Very high	23 Å²	23	46.7 Å²	46.7	15%	0.149	26%	0.258	C	S	.	.			trans	-72.4	143.8	-174.4	-12.9	26.9	0	0	0	112.2	F445 A450 T453 I455	F445-P447 HydrophobicContact CD1-CB 4.47Å; F445-P447 HydrophobicContact CD1-CG 3.82Å; F445-P447 HydrophobicContact CE1-CB 3.89Å; F445-P447 HydrophobicContact CE1-CG 3.72Å; F445-P447 HydrophobicContact CZ-CB 4.48Å; P447-A450 HydrophobicContact CB-CB 3.9Å; P447-A450 HydrophobicContact CG-CB 4.31Å; P447-T453 VanDerWaalsContact CD-O 3.28Å; P447-T453 WeakPolarHBondContact CD-O 3.47Å; P447-I455 HydrophobicContact CG-CD1 3.74Å; P447-I455 HydrophobicContact CG-CG1 4.21Å
448	A	95.4	Very high	92.2	Very high	24 Å²	24	47.2 Å²	47.2	20%	0.198	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	142.8	172.1	0	0	0	0	0	110.6	K386 N387 A450	K386-A448 WeakPolarHBondContact O-CA 3.4Å; K386-A448 PolarHBondContact O-N 2.96Å; N387-A448 WeakPolarHBondContact OD1-CB 3.19Å; N387-A448 PolarHBondContact OD1-N 2.97Å; A448-A450 PolarHBondContact O-N 3.23Å; A448-A450 VanDerWaalsContact O-N 3.14Å
449	S	92.3	Very high	92.9	Very high	104 Å²	104	43 Å²	43	73%	0.727	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	28.8	174.3	-54.1	0	0	0	0	114.5	E384	E384-S449 PolarHBondContact O-N 2.96Å; E384-S449 PolarHBondContact O-OG 3.07Å; E384-S449 VanDerWaalsContact O-OG 3.13Å
450	A	90.6	Very high	93.3	Very high	29 Å²	29	47.3 Å²	47.3	24%	0.24	26%	0.262	C	S	.	.	S	Bend	trans	-117.2	35.9	177.5	0	0	0	0	0	111.7	P447 A448 R452 T453	P447-A450 HydrophobicContact CB-CB 3.9Å; P447-A450 HydrophobicContact CG-CB 4.31Å; A448-A450 PolarHBondContact O-N 3.23Å; A448-A450 VanDerWaalsContact O-N 3.14Å; A450-R452 PolarHBondContact O-N 3.36Å; A450-R452 VanDerWaalsContact O-N 3.14Å; A450-T453 VanDerWaalsContact O-CB 3.23Å; A450-T453 WeakPolarHBondContact O-CB 3.44Å; A450-T453 PolarHBondContact O-N 3.23Å; A450-T453 PolarHBondContact O-OG1 3.1Å
451	D	88.3	Confident	93.7	Very high	141 Å²	141	49.7 Å²	49.7	75%	0.754	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	-115	-172.1	-63.5	-44.6	0	0	0	111.2
452	R	91.1	Very high	93.7	Very high	129 Å²	129	52.3 Å²	52.3	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	28	178.2	-59.8	-179.7	63.5	83.5	-3	112.2	E378 F382 A450 V454	E378-R452 IonicContact OE1-CZ 2.69Å; E378-R452 IonicContact OE1-NH1 2.67Å; E378-R452 PolarHBondContact OE1-NH1 2.82Å; E378-R452 IonicContact OE1-NH2 3.57Å; E378-R452 PolarHBondContact OE1-NH2 3.38Å; E378-R452 IonicContact OE2-NH2 3.09Å; F382-R452 HydrophobicContact CD1-CB 4.05Å; F382-R452 HydrophobicContact CD1-CG 4.1Å; F382-R452 HydrophobicContact CE1-CB 3.75Å; F382-R452 HydrophobicContact CE1-CG 4.23Å; A450-R452 PolarHBondContact O-N 3.36Å; A450-R452 VanDerWaalsContact O-N 3.14Å; R452-V454 PolarHBondContact O-N 3.47Å
453	T	92.7	Very high	93.8	Very high	72 Å²	72	52.9 Å²	52.9	44%	0.442	29%	0.287	S	S	.	.			trans	-60.5	135.9	177.5	-58	0	0	0	0	109.8	P447 A450 I455	P447-T453 VanDerWaalsContact CD-O 3.28Å; P447-T453 WeakPolarHBondContact CD-O 3.47Å; A450-T453 VanDerWaalsContact O-CB 3.23Å; A450-T453 WeakPolarHBondContact O-CB 3.44Å; A450-T453 PolarHBondContact O-N 3.23Å; A450-T453 PolarHBondContact O-OG1 3.1Å; T453-I455 HydrophobicContact CG2-CG1 4.14Å
454	V	94.3	Very high	93.7	Very high	49 Å²	49	57.8 Å²	57.8	30%	0.297	31%	0.313	S	S	.	.			trans	-124.3	132.8	174.3	-171.4	0	0	0	0	107.2	F382 K444 F445 F446 R452	F382-V454 HydrophobicContact CE1-CG2 4.22Å; F382-V454 HydrophobicContact CZ-CG2 4.2Å; K444-V454 HydrophobicContact CB-CG1 3.85Å; K444-V454 HydrophobicContact CD-CG1 3.72Å; K444-V454 HydrophobicContact CG-CG1 4.34Å; F445-V454 WeakPolarHBondContact O-CA 3.13Å; F446-V454 HydrophobicContact CD1-CG1 4.27Å; F446-V454 HydrophobicContact CD1-CG2 3.83Å; F446-V454 HydrophobicContact CE1-CB 4.26Å; F446-V454 HydrophobicContact CE1-CG1 3.72Å; F446-V454 HydrophobicContact CE1-CG2 3.59Å; F446-V454 HydrophobicContact CZ-CG1 3.94Å; R452-V454 PolarHBondContact O-N 3.47Å
455	I	94	Very high	93.6	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.19	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124	-179.4	-54.6	179.7	0	0	0	108.1	K444 F445 P447 T453 F469 A478	K444-I455 WeakPolarHBondContact CA-O 3.21Å; F445-I455 HydrophobicContact CB-CB 4.37Å; F445-I455 HydrophobicContact CD1-CD1 4.25Å; F445-I455 PolarHBondContact N-O 3.2Å; F445-I455 PolarHBondContact O-N 3.16Å; P447-I455 HydrophobicContact CG-CD1 3.74Å; P447-I455 HydrophobicContact CG-CG1 4.21Å; T453-I455 HydrophobicContact CG2-CG1 4.14Å; I455-F469 HydrophobicContact CG2-CE2 4.18Å; I455-F469 HydrophobicContact CG2-CZ 4.03Å; I455-A478 HydrophobicContact CG2-CB 3.68Å
456	D	93.2	Very high	93.7	Very high	33 Å²	33	57.1 Å²	57.1	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.8	177	-72.8	5.3	0	0	0	110.2	K444	K444-D456 WeakPolarHBondContact CD-OD1 3.49Å; K444-D456 VanDerWaalsContact CE-OD1 3.23Å; K444-D456 WeakPolarHBondContact CE-OD1 3.22Å; K444-D456 VanDerWaalsContact CG-OD1 3.29Å; K444-D456 WeakPolarHBondContact CG-OD1 3.2Å; K444-D456 IonicContact NZ-OD1 3.57Å; K444-D456 PolarHBondContact NZ-OD1 2.66Å; K444-D456 IonicContact NZ-OD2 3.53Å; K444-D456 PolarHBondContact NZ-OD2 3.17Å
457	Y	94.7	Very high	93.6	Very high	14 Å²	14	59.7 Å²	59.7	6%	0.055	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-98.4	108.2	176.5	179.4	-91.1	0	0	0	110.1	F389 L443 G459 E460 G465 F466 F469	F389-Y457 HydrophobicContact CE2-CG 4.28Å; F389-Y457 HydrophobicContact CZ-CD1 4.3Å; F389-Y457 AromaticContact CZ-CD2 3.85Å; F389-Y457 HydrophobicContact CZ-CD2 3.85Å; F389-Y457 AromaticContact CZ-CG 3.68Å; F389-Y457 HydrophobicContact CZ-CG 3.68Å; L443-Y457 HydrophobicContact CB-CD1 4.3Å; L443-Y457 HydrophobicContact CB-CG 4.5Å; L443-Y457 HydrophobicContact CD1-CD1 3.79Å; L443-Y457 HydrophobicContact CD1-CE1 4.33Å; L443-Y457 PolarHBondContact O-N 2.79Å; Y457-G459 VanDerWaalsContact CE1-C 3.46Å; Y457-G459 WeakPolarHBondContact CE1-O 3.45Å; Y457-E460 PolarHBondContact OH-O 3.37Å; Y457-G465 VanDerWaalsContact OH-C 3.29Å; Y457-F466 HydrophobicContact CD1-CD1 4.34Å; Y457-F466 AromaticContact CD1-CE1 3.94Å; Y457-F466 HydrophobicContact CD1-CE1 3.94Å; Y457-F466 AromaticContact CE1-CD1 3.71Å; Y457-F466 HydrophobicContact CE1-CD1 3.71Å; Y457-F466 AromaticContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE2-CD1 4.12Å; Y457-F466 AromaticContact CZ-CD1 3.56Å; Y457-F466 AromaticContact CZ-CE1 3.73Å; Y457-F469 HydrophobicContact CD2-CB 3.98Å; Y457-F469 AromaticContact CD2-CD1 3.74Å; Y457-F469 HydrophobicContact CD2-CD1 3.74Å; Y457-F469 AromaticContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CE1 4.06Å; Y457-F469 AromaticContact CD2-CE2 3.92Å; Y457-F469 HydrophobicContact CD2-CE2 3.92Å; Y457-F469 AromaticContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CG 3.49Å; Y457-F469 VanDerWaalsContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CZ 4.14Å; Y457-F469 HydrophobicContact CE2-CB 3.62Å; Y457-F469 HydrophobicContact CE2-CD1 4.21Å; Y457-F469 AromaticContact CE2-CD2 3.99Å; Y457-F469 HydrophobicContact CE2-CD2 3.99Å; Y457-F469 AromaticContact CE2-CG 3.69Å; Y457-F469 HydrophobicContact CE2-CG 3.69Å
458	N	90	Very high	93.6	Very high	49 Å²	49	64.7 Å²	64.7	26%	0.262	35%	0.345	S	S	.	.			trans	-108.5	8.2	179	-62.7	-18.6	0	0	0	112.1	G477 G479	N458-G477 PolarHBondContact N-O 2.92Å; N458-G479 WeakPolarHBondContact ND2-CA 3.5Å
459	G	90.9	Very high	93.7	Very high	28 Å²	28	63.5 Å²	63.5	29%	0.289	34%	0.335	S	S	.	.	S	Bend	trans	-77	-178.9	178.3	0	0	0	0	0	114.6	Y457 R461 G477	Y457-G459 VanDerWaalsContact CE1-C 3.46Å; Y457-G459 WeakPolarHBondContact CE1-O 3.45Å; G459-R461 PolarHBondContact O-N 3.31Å; G459-G477 PolarHBondContact N-O 2.72Å
460	E	91.4	Very high	93.8	Very high	145 Å²	145	59 Å²	59	68%	0.678	30%	0.303	S	S	*	.			trans	-61.5	134.2	178	-65.2	-176.4	-173.2	0	0	112.1	Y457 T462	Y457-E460 PolarHBondContact OH-O 3.37Å; E460-T462 HydrophobicContact CB-CG2 4.31Å; E460-T462 PolarHBondContact O-N 2.88Å
461	R	95.1	Very high	94	Very high	111 Å²	111	64.8 Å²	64.8	42%	0.419	33%	0.325	S	S	.	.	S	Bend	trans	-79.3	53	-179.6	-62.7	-179.4	-176.5	168.3	-2	112.7	L403 P441 G459 F466	L403-R461 HydrophobicContact CD1-CB 4.3Å; P441-R461 PolarHBondContact O-NH2 3.43Å; G459-R461 PolarHBondContact O-N 3.31Å; R461-F466 HydrophobicContact CB-CZ 4.2Å
462	T	95.6	Very high	94.2	Very high	56 Å²	56	60.1 Å²	60.1	34%	0.344	30%	0.304	S	S	.	.	S	Bend	trans	-121.7	156.6	-178.9	70.3	0	0	0	0	111.2	E460 D464 G465 F466	E460-T462 HydrophobicContact CB-CG2 4.31Å; E460-T462 PolarHBondContact O-N 2.88Å; T462-D464 PolarHBondContact O-N 2.77Å; T462-G465 PolarHBondContact O-N 3.35Å; T462-G465 PolarHBondContact OG1-N 2.79Å; T462-F466 WeakPolarHBondContact O-CD2 3.49Å; T462-F466 VanDerWaalsContact O-CG 3.3Å; T462-F466 WeakPolarHBondContact O-CG 3.42Å; T462-F466 PolarHBondContact O-N 3.22Å
463	L	96	Very high	94.2	Very high	30 Å²	30	55.8 Å²	55.8	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-37.9	178.9	-176.2	64.4	0	0	0	112.4	I406 K409 L410 K467	I406-L463 HydrophobicContact CG2-CB 4.17Å; K409-L463 HydrophobicContact CD-CD2 3.95Å; K409-L463 HydrophobicContact CG-CD2 4Å; L410-L463 HydrophobicContact CB-CD1 3.94Å; L410-L463 HydrophobicContact CD1-CD1 3.91Å; L463-K467 HydrophobicContact CG-CD 4.49Å; L463-K467 VanDerWaalsContact O-CG 3.32Å; L463-K467 WeakPolarHBondContact O-CG 3.36Å; L463-K467 PolarHBondContact O-N 2.83Å; L463-K467 VanDerWaalsContact O-N 3.11Å
464	D	95.4	Very high	93.9	Very high	108 Å²	108	52.4 Å²	52.4	58%	0.578	28%	0.278	S	S	*	.	H	α-helix	trans	-73.2	-37.6	179.9	-74.1	-11.1	0	0	0	111.8	T462 K467 K468	T462-D464 PolarHBondContact O-N 2.77Å; D464-K467 PolarHBondContact O-N 2.71Å; D464-K468 WeakPolarHBondContact O-CG 3.42Å; D464-K468 PolarHBondContact O-N 3.4Å
465	G	95.6	Very high	93.3	Very high	14 Å²	14	58.1 Å²	58.1	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-50.5	172.4	0	0	0	0	0	111.6	Y457 T462 K467 K468 F469	Y457-G465 VanDerWaalsContact OH-C 3.29Å; T462-G465 PolarHBondContact O-N 3.35Å; T462-G465 PolarHBondContact OG1-N 2.79Å; G465-K467 VanDerWaalsContact C-N 3.32Å; G465-K467 PolarHBondContact O-N 3.07Å; G465-K468 PolarHBondContact O-N 3.32Å; G465-F469 PolarHBondContact O-N 3.04Å
466	F	97.5	Very high	92.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-39.1	177.9	-58.9	-40.6	0	0	0	113.2	F389 L403 I406 W407 L410 L443 Y457 R461 T462 L470	F389-F466 HydrophobicContact CE1-CB 4.36Å; F389-F466 AromaticContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CG 4.33Å; F389-F466 HydrophobicContact CZ-CD1 4.18Å; L403-F466 HydrophobicContact CD1-CE2 3.83Å; L403-F466 HydrophobicContact CD1-CZ 3.71Å; I406-F466 HydrophobicContact CG2-CD2 4.13Å; I406-F466 HydrophobicContact CG2-CE2 3.74Å; W407-F466 HydrophobicContact CE3-CD2 4.45Å; W407-F466 HydrophobicContact CE3-CE2 4.07Å; W407-F466 HydrophobicContact CE3-CZ 4.18Å; W407-F466 HydrophobicContact CZ3-CD1 4.32Å; W407-F466 HydrophobicContact CZ3-CD2 4.47Å; W407-F466 HydrophobicContact CZ3-CE1 4.09Å; W407-F466 HydrophobicContact CZ3-CE2 4.26Å; W407-F466 HydrophobicContact CZ3-CZ 4.07Å; L410-F466 HydrophobicContact CD1-CB 3.75Å; L410-F466 HydrophobicContact CD2-CB 3.72Å; L410-F466 HydrophobicContact CD2-CD2 3.96Å; L410-F466 HydrophobicContact CD2-CG 3.95Å; L410-F466 HydrophobicContact CG-CB 4.36Å; L443-F466 HydrophobicContact CD1-CE1 3.61Å; L443-F466 HydrophobicContact CD1-CZ 3.94Å; Y457-F466 HydrophobicContact CD1-CD1 4.34Å; Y457-F466 AromaticContact CD1-CE1 3.94Å; Y457-F466 HydrophobicContact CD1-CE1 3.94Å; Y457-F466 AromaticContact CE1-CD1 3.71Å; Y457-F466 HydrophobicContact CE1-CD1 3.71Å; Y457-F466 AromaticContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE2-CD1 4.12Å; Y457-F466 AromaticContact CZ-CD1 3.56Å; Y457-F466 AromaticContact CZ-CE1 3.73Å; R461-F466 HydrophobicContact CB-CZ 4.2Å; T462-F466 WeakPolarHBondContact O-CD2 3.49Å; T462-F466 VanDerWaalsContact O-CG 3.3Å; T462-F466 WeakPolarHBondContact O-CG 3.42Å; T462-F466 PolarHBondContact O-N 3.22Å; F466-L470 WeakPolarHBondContact O-CB 3.46Å; F466-L470 WeakPolarHBondContact O-CG 3.4Å; F466-L470 PolarHBondContact O-N 3.33Å
467	K	96.6	Very high	91.1	Very high	58 Å²	58	60.7 Å²	60.7	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-49	177	-77.8	175.3	173.2	-173.6	0	112.1	Y414 L463 D464 G465 F469 L470 E471	Y414-K467 HydrophobicContact CE2-CG 4.22Å; L463-K467 HydrophobicContact CG-CD 4.49Å; L463-K467 VanDerWaalsContact O-CG 3.32Å; L463-K467 WeakPolarHBondContact O-CG 3.36Å; L463-K467 PolarHBondContact O-N 2.83Å; L463-K467 VanDerWaalsContact O-N 3.11Å; D464-K467 PolarHBondContact O-N 2.71Å; G465-K467 VanDerWaalsContact C-N 3.32Å; G465-K467 PolarHBondContact O-N 3.07Å; K467-F469 VanDerWaalsContact C-N 3.29Å; K467-F469 PolarHBondContact O-N 3.5Å; K467-L470 PolarHBondContact O-N 3.21Å; K467-E471 VanDerWaalsContact O-CB 3.3Å; K467-E471 WeakPolarHBondContact O-CB 3.44Å; K467-E471 VanDerWaalsContact O-CG 3.25Å; K467-E471 WeakPolarHBondContact O-CG 3.47Å; K467-E471 PolarHBondContact O-N 3.38Å
468	K	95.3	Very high	89.8	Confident	127 Å²	127	62.4 Å²	62.4	55%	0.552	34%	0.338	S	S	*	.	H	α-helix	trans	-57.3	-45.8	177.8	-72.3	176	-177.1	174.8	0	111.3	D464 G465 E471 S472	D464-K468 WeakPolarHBondContact O-CG 3.42Å; D464-K468 PolarHBondContact O-N 3.4Å; G465-K468 PolarHBondContact O-N 3.32Å; K468-E471 PolarHBondContact O-N 3.48Å; K468-S472 WeakPolarHBondContact O-CB 3.38Å; K468-S472 PolarHBondContact O-N 2.95Å; K468-S472 PolarHBondContact O-OG 3.24Å
469	F	96.7	Very high	88.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-50.4	178.1	177.8	-98.6	0	0	0	112.1	F389 F445 I455 Y457 G465 K467 S472 G473 G474 D476	F389-F469 HydrophobicContact CD2-CE1 4.39Å; F389-F469 HydrophobicContact CE1-CD1 4.11Å; F389-F469 HydrophobicContact CE1-CE1 4.4Å; F389-F469 HydrophobicContact CE2-CD1 4.47Å; F389-F469 AromaticContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CD1 4.02Å; F389-F469 AromaticContact CZ-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CE1 3.99Å; F445-F469 HydrophobicContact CB-CE1 3.56Å; F445-F469 HydrophobicContact CB-CZ 3.75Å; F445-F469 HydrophobicContact CD1-CE1 4.06Å; F445-F469 HydrophobicContact CD1-CZ 4.18Å; F445-F469 HydrophobicContact CD2-CE1 4.31Å; F445-F469 AromaticContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CZ 4.14Å; I455-F469 HydrophobicContact CG2-CE2 4.18Å; I455-F469 HydrophobicContact CG2-CZ 4.03Å; Y457-F469 HydrophobicContact CD2-CB 3.98Å; Y457-F469 AromaticContact CD2-CD1 3.74Å; Y457-F469 HydrophobicContact CD2-CD1 3.74Å; Y457-F469 AromaticContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CE1 4.06Å; Y457-F469 AromaticContact CD2-CE2 3.92Å; Y457-F469 HydrophobicContact CD2-CE2 3.92Å; Y457-F469 AromaticContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CG 3.49Å; Y457-F469 VanDerWaalsContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CZ 4.14Å; Y457-F469 HydrophobicContact CE2-CB 3.62Å; Y457-F469 HydrophobicContact CE2-CD1 4.21Å; Y457-F469 AromaticContact CE2-CD2 3.99Å; Y457-F469 HydrophobicContact CE2-CD2 3.99Å; Y457-F469 AromaticContact CE2-CG 3.69Å; Y457-F469 HydrophobicContact CE2-CG 3.69Å; G465-F469 PolarHBondContact O-N 3.04Å; K467-F469 VanDerWaalsContact C-N 3.29Å; K467-F469 PolarHBondContact O-N 3.5Å; F469-S472 PolarHBondContact O-N 2.87Å; F469-S472 PolarHBondContact O-OG 2.89Å; F469-G473 PolarHBondContact O-N 3Å; F469-G474 VanDerWaalsContact CE2-CA 3.45Å; F469-G474 WeakPolarHBondContact CE2-O 3.46Å; F469-G474 PolarHBondContact O-N 3.47Å; F469-D476 VanDerWaalsContact CA-O 3.28Å; F469-D476 WeakPolarHBondContact CA-O 3.44Å; F469-D476 VanDerWaalsContact CB-O 3.3Å; F469-D476 WeakPolarHBondContact CB-O 3.41Å; F469-D476 VanDerWaalsContact CD2-O 3.27Å; F469-D476 WeakPolarHBondContact CD2-O 3.46Å
470	L	96	Very high	86.1	Confident	9 Å²	9	66.2 Å²	66.2	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-43.4	178.1	-73.3	169	0	0	0	112.9	F389 L410 Y414 I420 I422 F445 F466 K467 S472 G473	F389-L470 HydrophobicContact CB-CD2 4.02Å; F389-L470 HydrophobicContact CD1-CD1 4.18Å; F389-L470 HydrophobicContact CD1-CD2 3.97Å; F389-L470 HydrophobicContact CD1-CG 4.11Å; F389-L470 HydrophobicContact CG-CD2 4.25Å; L410-L470 HydrophobicContact CD1-CD1 4.07Å; L410-L470 HydrophobicContact CD2-CD1 4.38Å; Y414-L470 HydrophobicContact CD2-CD1 3.96Å; Y414-L470 HydrophobicContact CE2-CD1 3.53Å; I420-L470 HydrophobicContact CD1-CB 4.41Å; I420-L470 HydrophobicContact CG2-CD1 4.44Å; I420-L470 HydrophobicContact CG2-CD2 4.36Å; I422-L470 HydrophobicContact CD1-CD1 3.9Å; F445-L470 HydrophobicContact CD2-CD2 4.07Å; F445-L470 HydrophobicContact CE2-CD2 3.68Å; F445-L470 HydrophobicContact CZ-CD2 4.43Å; F466-L470 WeakPolarHBondContact O-CB 3.46Å; F466-L470 WeakPolarHBondContact O-CG 3.4Å; F466-L470 PolarHBondContact O-N 3.33Å; K467-L470 PolarHBondContact O-N 3.21Å; L470-S472 PolarHBondContact O-N 3.38Å; L470-G473 PolarHBondContact O-N 3.37Å
471	E	93.4	Very high	83.9	Confident	151 Å²	151	65.4 Å²	65.4	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-66.7	-26.2	178.9	-71.6	176.5	-165	0	0	112.4	K467 K468 G473	K467-E471 VanDerWaalsContact O-CB 3.3Å; K467-E471 WeakPolarHBondContact O-CB 3.44Å; K467-E471 VanDerWaalsContact O-CG 3.25Å; K467-E471 WeakPolarHBondContact O-CG 3.47Å; K467-E471 PolarHBondContact O-N 3.38Å; K468-E471 PolarHBondContact O-N 3.48Å; E471-G473 VanDerWaalsContact C-N 3.31Å
472	S	93.1	Very high	81.1	Confident	43 Å²	43	67 Å²	67	30%	0.301	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.9	173.1	78	0	0	0	0	114	K468 F469 L470 G474 Q475 D476	K468-S472 WeakPolarHBondContact O-CB 3.38Å; K468-S472 PolarHBondContact O-N 2.95Å; K468-S472 PolarHBondContact O-OG 3.24Å; F469-S472 PolarHBondContact O-N 2.87Å; F469-S472 PolarHBondContact O-OG 2.89Å; L470-S472 PolarHBondContact O-N 3.38Å; S472-G474 VanDerWaalsContact C-N 3.34Å; S472-G474 PolarHBondContact OG-N 3.36Å; S472-Q475 PolarHBondContact OG-N 3.41Å; S472-D476 PolarHBondContact OG-N 3.2Å
473	G	90.3	Very high	78.5	Confident	38 Å²	38	68.4 Å²	68.4	39%	0.392	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	28.7	-172.4	0	0	0	0	0	113.5	F469 L470 E471	F469-G473 PolarHBondContact O-N 3Å; L470-G473 PolarHBondContact O-N 3.37Å; E471-G473 VanDerWaalsContact C-N 3.31Å
474	G	86.2	Confident	75.8	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.01	40%	0.395	C	S	.	.	S	Bend	trans	86.5	15.7	179.1	0	0	0	0	0	115.4	F469 S472	F469-G474 VanDerWaalsContact CE2-CA 3.45Å; F469-G474 WeakPolarHBondContact CE2-O 3.46Å; F469-G474 PolarHBondContact O-N 3.47Å; S472-G474 VanDerWaalsContact C-N 3.34Å; S472-G474 PolarHBondContact OG-N 3.36Å
475	Q	81.7	Confident	73	Confident	168 Å²	168	74 Å²	74	79%	0.785	41%	0.405	S	S	*	.			trans	-88.8	-34	-179.7	-65.8	-108.1	-31.2	0	0	112.9	S472	S472-Q475 PolarHBondContact OG-N 3.41Å
476	D	72.4	Confident	70.1	Confident	102 Å²	102	79.5 Å²	79.5	55%	0.545	43%	0.431	S	S	.	.	S	Bend	trans	-101.4	96.6	-174.5	-166.5	9.1	0	0	0	110.6	F469 S472	F469-D476 VanDerWaalsContact CA-O 3.28Å; F469-D476 WeakPolarHBondContact CA-O 3.44Å; F469-D476 VanDerWaalsContact CB-O 3.3Å; F469-D476 WeakPolarHBondContact CB-O 3.41Å; F469-D476 VanDerWaalsContact CD2-O 3.27Å; F469-D476 WeakPolarHBondContact CD2-O 3.46Å; S472-D476 PolarHBondContact OG-N 3.2Å
477	G	69.6	Low	67.2	Low	22 Å²	22	85 Å²	85	23%	0.227	46%	0.459	C	S	.	.	S	Bend	trans	117.3	1.1	-173.3	0	0	0	0	0	114.9	N458 G459	N458-G477 PolarHBondContact N-O 2.92Å; G459-G477 PolarHBondContact N-O 2.72Å
478	A	67.8	Low	64.4	Low	51 Å²	51	90.9 Å²	90.9	42%	0.421	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-72.6	124.5	165.2	0	0	0	0	0	109	I455	I455-A478 HydrophobicContact CG2-CB 3.68Å
479	G	55.7	Low	61.4	Low	24 Å²	24	93.5 Å²	93.5	25%	0.247	50%	0.502	C	S	.	.			trans	-106.6	155	170.2	0	0	0	0	0	110.5	N458	N458-G479 WeakPolarHBondContact ND2-CA 3.5Å
480	D	45.9	Very low	58.3	Low	133 Å²	133	97.5 Å²	97.5	71%	0.711	54%	0.535	S	S	*	.			trans	-70.6	151.6	168	-71.5	-37.2	0	0	0	108.8	D482 D483	D480-D482 PolarHBondContact O-N 3.08Å; D480-D483 PolarHBondContact O-N 3.27Å
481	D	46	Very low	55.2	Low	128 Å²	128	105.8 Å²	105.8	68%	0.684	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-53.4	-16.8	-175.1	-94.6	-31.1	0	0	0	114.4
482	D	37.4	Very low	52.4	Low	144 Å²	144	105.5 Å²	105.5	77%	0.77	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-81.8	-12.7	-174.7	-68.7	-27.9	0	0	0	114.4	D480 L484	D480-D482 PolarHBondContact O-N 3.08Å; D482-L484 VanDerWaalsContact C-N 3.3Å; D482-L484 PolarHBondContact O-N 3.28Å
483	D	39.2	Very low	49.4	Very low	85 Å²	85	108.2 Å²	108.2	46%	0.455	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-83.9	5	-173.2	-71	-26.4	0	0	0	114.6	D480 E485	D480-D483 PolarHBondContact O-N 3.27Å; D483-E485 VanDerWaalsContact C-N 3.26Å; D483-E485 PolarHBondContact O-N 2.8Å
484	L	40.5	Very low	46.8	Very low	88 Å²	88	114.2 Å²	114.2	46%	0.461	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-71.1	-16.9	179	-77.5	168.9	0	0	0	113.8	D482	D482-L484 VanDerWaalsContact C-N 3.3Å; D482-L484 PolarHBondContact O-N 3.28Å
485	E	36.3	Very low	44.3	Very low	169 Å²	169	122.4 Å²	122.4	79%	0.79	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-77	-24	179	-68.7	-169.9	166.7	0	0	113.2	D483	D483-E485 VanDerWaalsContact C-N 3.26Å; D483-E485 PolarHBondContact O-N 2.8Å
486	D	34.3	Very low	42.1	Very low	128 Å²	128	123 Å²	123	68%	0.684	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-92.7	-8.5	-168.6	-77.5	-13.9	0	0	0	114.7
487	L	36	Very low	40.4	Very low	116 Å²	116	127.1 Å²	127.1	61%	0.607	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-91.2	-2.4	-179.4	-71.9	171.8	0	0	0	114.2	E489	L487-E489 PolarHBondContact O-N 3.14Å
488	E	38.8	Very low	38.8	Very low	182 Å²	182	133.5 Å²	133.5	85%	0.85	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-74.2	-9.8	175	-69.4	-165.4	164.2	0	0	113.6
489	E	33.1	Very low	37.2	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-93.2	-1.6	-175.4	-68.1	-165.2	159.3	0	0	115.5	L487 E491	L487-E489 PolarHBondContact O-N 3.14Å; E489-E491 PolarHBondContact O-N 3.31Å
490	A	30.3	Very low	36.2	Very low	84 Å²	84	142.5 Å²	142.5	69%	0.694	74%	0.735	S	S	*	*	S	Bend	trans	-93.2	88.7	-177.9	0	0	0	0	0	112.9
491	E	31.3	Very low	35.7	Very low	183 Å²	183	144 Å²	144	86%	0.855	74%	0.738	S	S	*	*			trans	25.2	100.2	154.7	-63.1	-176.6	168.4	0	0	116.9	E489 P493	E489-E491 PolarHBondContact O-N 3.31Å; E491-P493 WeakPolarHBondContact O-CD 3Å
492	E	33.9	Very low	35.1	Very low	144 Å²	144	146 Å²	146	67%	0.673	74%	0.741	S	S	*	*			trans	-63.4	121.7	161.8	-74.9	-176.1	-154.6	0	0	109.4	R97	R97-E492 IonicContact CZ-OE1 2.78Å; R97-E492 IonicContact NH1-OE1 3.45Å; R97-E492 PolarHBondContact NH1-OE1 3.02Å; R97-E492 IonicContact NH1-OE2 3.67Å; R97-E492 PolarHBondContact NH1-OE2 2.87Å; R97-E492 IonicContact NH2-OE1 2.76Å
493	P	31.6	Very low	35	Very low	100 Å²	100	143.7 Å²	143.7	65%	0.649	74%	0.741	S	S	*	*			trans	-79	127.2	169.2	29.6	-26.7	0	0	0	109.6	E491 M495	E491-P493 WeakPolarHBondContact O-CD 3Å; P493-M495 PolarHBondContact O-N 3.16Å
494	D	34.4	Very low	34.8	Very low	164 Å²	164	145.4 Å²	145.4	88%	0.877	76%	0.755	S	S	*	*			trans	-41.9	121.2	175.9	-65.9	-47.8	0	0	0	112.5
495	M	35.3	Very low	34.7	Very low	173 Å²	173	150.4 Å²	150.4	85%	0.852	77%	0.773	S	S	*	*			trans	-111.5	103.5	160.1	-72.4	-157.7	-56.6	0	0	108.8	P493 E497	P493-M495 PolarHBondContact O-N 3.16Å; M495-E497 PolarHBondContact O-N 3.36Å
496	E	34.6	Very low	35	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	77%	0.773	S	S	*	*			trans	-55.2	124.7	161.2	-66.6	-178.6	153.8	0	0	108.7	D498	E496-D498 PolarHBondContact O-N 2.77Å; E496-D498 VanDerWaalsContact O-N 3.11Å
497	E	37.3	Very low	35.3	Very low	190 Å²	190	152.5 Å²	152.5	89%	0.888	78%	0.783	S	S	*	*			trans	-68.5	103.9	165.2	-73.9	-173.7	157.3	0	0	108.1	M495 D499	M495-E497 PolarHBondContact O-N 3.36Å; E497-D499 PolarHBondContact O-N 2.95Å
498	D	34.8	Very low	35.7	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	82%	0.815	S	S	*	*			trans	-63.8	96.8	167.9	-107.2	-24.6	0	0	0	109	E496 D500	E496-D498 PolarHBondContact O-N 2.77Å; E496-D498 VanDerWaalsContact O-N 3.11Å; D498-D500 VanDerWaalsContact C-N 3.27Å; D498-D500 PolarHBondContact O-N 3.29Å
499	D	34.6	Very low	35.5	Very low	137 Å²	137	157.5 Å²	157.5	73%	0.733	81%	0.813	S	S	*	*			trans	-78.4	77.4	173.9	-143.6	8.1	0	0	0	108.9	E497 Q501	E497-D499 PolarHBondContact O-N 2.95Å; D499-Q501 PolarHBondContact O-N 2.89Å
500	D	35	Very low	35.7	Very low	128 Å²	128	156.2 Å²	156.2	68%	0.684	81%	0.812	S	S	*	*			trans	-79.1	66.3	-177.7	-145	14.1	0	0	0	110.6	D498 K502	D498-D500 VanDerWaalsContact C-N 3.27Å; D498-D500 PolarHBondContact O-N 3.29Å; D500-K502 VanDerWaalsContact C-N 3.3Å; D500-K502 PolarHBondContact O-N 2.9Å
501	Q	35.3	Very low	36	Very low	165 Å²	165	160.2 Å²	160.2	77%	0.771	82%	0.818	S	S	*	*			trans	-73.2	86.4	162.7	-77.8	-174.8	33.1	0	0	109.5	D499 A503	D499-Q501 PolarHBondContact O-N 2.89Å; Q501-A503 PolarHBondContact O-N 3.41Å
502	K	34.2	Very low	36.2	Very low	170 Å²	170	158.9 Å²	158.9	74%	0.739	82%	0.816	S	S	*	*			trans	-62.9	99.7	162.1	-84.1	177.4	-178	162.6	0	110.1	D500 V504	D500-K502 VanDerWaalsContact C-N 3.3Å; D500-K502 PolarHBondContact O-N 2.9Å; K502-V504 PolarHBondContact O-N 3.49Å
503	A	34.6	Very low	36.4	Very low	94 Å²	94	159.8 Å²	159.8	78%	0.777	83%	0.825	S	S	*	*			trans	-58.6	104.8	159.1	0	0	0	0	0	109.4	Q501 K505	Q501-A503 PolarHBondContact O-N 3.41Å; A503-K505 PolarHBondContact O-N 2.9Å; A503-K505 VanDerWaalsContact O-N 3.1Å
504	V	35.6	Very low	36.7	Very low	122 Å²	122	163.8 Å²	163.8	74%	0.739	84%	0.837	S	S	*	*			trans	-64.9	104.1	161.9	177.7	0	0	0	0	106.9	K502 D506	K502-V504 PolarHBondContact O-N 3.49Å; V504-D506 PolarHBondContact O-N 2.91Å
505	K	36.7	Very low	36.9	Very low	193 Å²	193	163.8 Å²	163.8	84%	0.839	83%	0.834	S	S	*	*			trans	-76.3	108.4	161.2	-89.2	-177.8	172.6	178.6	0	107.6	A503 E507	A503-K505 PolarHBondContact O-N 2.9Å; A503-K505 VanDerWaalsContact O-N 3.1Å; K505-E507 PolarHBondContact O-N 2.67Å
506	D	44.1	Very low	37	Very low	151 Å²	151	163.1 Å²	163.1	81%	0.807	83%	0.832	S	S	*	*			trans	-68.2	113	159.1	-80	-26.6	0	0	0	108.7	V504	V504-D506 PolarHBondContact O-N 2.91Å
507	E	39.6	Very low	37.2	Very low	190 Å²	190	161.7 Å²	161.7	89%	0.888	83%	0.831	S	S	*	*			trans	-94.9	104.5	153.2	-77.5	-172.1	162.3	0	0	107.6	K505	K505-E507 PolarHBondContact O-N 2.67Å
508	L	44.4	Very low	37.2	Very low	245 Å²	245	159.1 Å²	159.1	100%	1.283	83%	0.826	S	S	*	*			trans	-148.5	0	155.3	-97.1	172.9	0	0	0	110

Retrieved 508 of 508 residues in 1282.1 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).