A0A3Q0KIG2_SCHMA Loading...

PwLAP aminopeptidase (M17 family)

AlphaFold DB , UniProt , Accession A0A3Q0KIG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 569 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	33.6	Very low	27.9	Very low	227 Å²	227	155.5 Å²	155.5	100%	1.118	78%	0.782	S	S	*	*				0	128.2	0	-106.5	179.6	172.2	0	0	107.9
2	L	29.1	Very low	27.9	Very low	130 Å²	130	162.8 Å²	162.8	68%	0.681	79%	0.793	S	S	*	*			trans	71.1	139.2	148.4	-63.6	169.6	0	0	0	117.3
3	F	28.9	Very low	27.6	Very low	159 Å²	159	165.7 Å²	165.7	70%	0.697	80%	0.8	S	S	*	*			cis	-158.8	135.9	10.5	-107.6	-65.9	0	0	0	106.5
4	H	24.6	Very low	27.6	Very low	166 Å²	166	162.1 Å²	162.1	77%	0.769	79%	0.792	S	S	*	*				50.2	127.8	111.8	-83.3	44.4	0	0	0	118.8
5	S	29.9	Very low	27.3	Very low	92 Å²	92	158.5 Å²	158.5	64%	0.643	78%	0.784	S	S	*	*				155.3	92.9	124.1	-175.3	0	0	0	0	109.1
6	L	26.2	Very low	27.2	Very low	142 Å²	142	158.6 Å²	158.6	74%	0.743	79%	0.787	S	S	*	*				36.1	97.6	94.3	-82.4	158.9	0	0	0	113.9
7	F	31.7	Very low	26.9	Very low	182 Å²	182	157.8 Å²	157.8	80%	0.798	79%	0.786	S	S	*	*			trans	-126.5	98.8	151.4	-103.2	-84.7	0	0	0	108.5	L9	F7-L9 HydrophobicContact CD1-CD1 4.33Å
8	T	24.1	Very low	27	Very low	123 Å²	123	154.5 Å²	154.5	76%	0.755	78%	0.781	S	S	*	*			trans	-83.4	118.8	161.8	28.9	0	0	0	0	108.2
9	L	30.1	Very low	26.9	Very low	159 Å²	159	153 Å²	153	83%	0.832	79%	0.786	S	S	*	*			trans	-134.7	131.1	164.8	-102.6	156.4	0	0	0	110.1	F7	F7-L9 HydrophobicContact CD1-CD1 4.33Å
10	R	25.7	Very low	26.9	Very low	232 Å²	232	156.5 Å²	156.5	88%	0.875	79%	0.789	S	S	*	*			trans	-78.3	147.3	-163.3	-67.4	171.4	165.5	-177.5	-4.7	113.2
11	S	22.8	Very low	27	Very low	98 Å²	98	154 Å²	154	69%	0.685	79%	0.786	S	S	*	*			trans	40.6	109	138.2	70.2	0	0	0	0	119.5
12	R	28.4	Very low	26.7	Very low	243 Å²	243	149.7 Å²	149.7	92%	0.917	77%	0.772	S	S	*	*				-144.6	98.1	129.2	-74.4	-163.3	179.1	178.5	-0.8	108.9	V14	R12-V14 PolarHBondContact O-N 3.12Å
13	F	24	Very low	26.7	Very low	201 Å²	201	149.4 Å²	149.4	88%	0.882	78%	0.775	S	S	*	*			trans	-67.5	107.6	164	-94	-94.4	0	0	0	107.7
14	V	26.6	Very low	26.7	Very low	115 Å²	115	145.1 Å²	145.1	70%	0.697	77%	0.77	S	S	*	*			trans	-92.7	105.6	163.8	178	0	0	0	0	106.3	R12 L16	R12-V14 PolarHBondContact O-N 3.12Å; V14-L16 HydrophobicContact CG1-CG 4.39Å; V14-L16 PolarHBondContact O-N 2.9Å; V14-L16 VanDerWaalsContact O-N 3.11Å
15	V	23.5	Very low	26.9	Very low	109 Å²	109	143.8 Å²	143.8	66%	0.661	77%	0.773	S	S	*	*			trans	-71.1	98.3	172.6	177.5	0	0	0	0	107.6	N17	V15-N17 PolarHBondContact O-N 2.69Å
16	L	26.2	Very low	27.2	Very low	160 Å²	160	142.9 Å²	142.9	84%	0.838	76%	0.759	S	S	*	*			trans	-83.6	85.9	166.3	-84.5	162.2	0	0	0	108.6	V14 S18	V14-L16 HydrophobicContact CG1-CG 4.39Å; V14-L16 PolarHBondContact O-N 2.9Å; V14-L16 VanDerWaalsContact O-N 3.11Å; L16-S18 PolarHBondContact O-N 2.92Å
17	N	22.6	Very low	28.2	Very low	145 Å²	145	140 Å²	140	78%	0.775	75%	0.747	S	S	*	*			trans	-76.1	108.2	159.2	-89.6	-15.4	0	0	0	108.5	V15	V15-N17 PolarHBondContact O-N 2.69Å
18	S	28.7	Very low	29.7	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	74%	0.735	S	S	*	*			trans	-173	114.5	130.7	60.7	0	0	0	0	109.4	L16 R20	L16-S18 PolarHBondContact O-N 2.92Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.18Å
19	S	24.7	Very low	32	Very low	126 Å²	126	136 Å²	136	88%	0.881	72%	0.718	S	S	*	*			trans	-52.3	91	160	50.9	0	0	0	0	110.7
20	R	27.6	Very low	34.6	Very low	222 Å²	222	132.2 Å²	132.2	84%	0.838	70%	0.696	S	S	*	*			trans	-115.4	106.5	148.9	-78.8	-174	176	-176.9	-0.9	105.1	S18 V22	S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.18Å; R20-V22 PolarHBondContact O-N 3.1Å; R20-V22 VanDerWaalsContact O-N 3.13Å
21	S	28.6	Very low	37.7	Very low	105 Å²	105	121.9 Å²	121.9	73%	0.734	66%	0.66	S	S	*	*			trans	-41.2	122.7	165.7	39	0	0	0	0	107.7	V23	S21-V23 PolarHBondContact O-N 2.73Å
22	V	27	Very low	41	Very low	136 Å²	136	117.6 Å²	117.6	82%	0.824	63%	0.629	S	S	*	*			trans	-62.6	89.5	168.7	177.8	0	0	0	0	105	R20 A24	R20-V22 PolarHBondContact O-N 3.1Å; R20-V22 VanDerWaalsContact O-N 3.13Å; V22-A24 PolarHBondContact O-N 2.67Å
23	V	28.1	Very low	44.2	Very low	124 Å²	124	112.6 Å²	112.6	75%	0.752	61%	0.61	S	S	*	*			trans	-62.4	96.5	154.9	-178.9	0	0	0	0	102.5	S21 V25	S21-V23 PolarHBondContact O-N 2.73Å; V23-V25 PolarHBondContact O-N 3.41Å
24	A	29.3	Very low	47.7	Very low	70 Å²	70	103.3 Å²	103.3	58%	0.579	57%	0.57	S	S	*	*			trans	-47.1	121.3	172.6	0	0	0	0	0	106	V22 M26	V22-A24 PolarHBondContact O-N 2.67Å; A24-M26 PolarHBondContact O-N 3.08Å
25	V	28.7	Very low	51.1	Low	137 Å²	137	101.3 Å²	101.3	83%	0.83	56%	0.558	S	S	*	*			trans	-59.4	96.7	174	176.5	0	0	0	0	104.9	V23 T27	V23-V25 PolarHBondContact O-N 3.41Å; V25-T27 PolarHBondContact O-N 3.24Å
26	M	37.4	Very low	54.7	Low	74 Å²	74	97.3 Å²	97.3	37%	0.365	53%	0.534	S	S	.	.			trans	-54.7	113.3	177.6	-85.3	177.9	155.5	0	0	105.9	A24 Q191	A24-M26 PolarHBondContact O-N 3.08Å; M26-Q191 PolarHBondContact SD-NE2 2.71Å
27	T	47.2	Very low	58.1	Low	80 Å²	80	90.8 Å²	90.8	49%	0.491	50%	0.5	S	S	.	.			trans	-60.3	149	169.8	66.3	0	0	0	0	107	V25 R29 E30	V25-T27 PolarHBondContact O-N 3.24Å; T27-R29 PolarHBondContact O-N 3.31Å; T27-E30 PolarHBondContact O-N 3.16Å
28	H	62.6	Low	61.5	Low	118 Å²	118	88.2 Å²	88.2	55%	0.546	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	4.4	179.6	-61.2	-64.4	0	0	0	115	R174 S190	H28-R174 PolarHBondContact O-NH1 3.21Å; H28-S190 WeakPolarHBondContact ND1-CB 3.38Å; H28-S190 PolarHBondContact ND1-OG 3.17Å
29	R	73.2	Confident	64.7	Low	104 Å²	104	87.3 Å²	87.3	39%	0.392	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-32.1	-175	-63	-174	-176.6	166.6	6.9	113.6	T27 R174 R223 E248	T27-R29 PolarHBondContact O-N 3.31Å; R29-R174 PolarHBondContact O-NH1 3.13Å; R29-R223 WeakPolarHBondContact O-CD 3.4Å; R29-R223 PolarHBondContact O-NE 2.91Å; R29-R223 PolarHBondContact O-NH1 3.33Å; R29-R223 VanDerWaalsContact O-NH1 3.15Å; R29-R223 PolarHBondContact O-NH2 3.02Å; R29-E248 WeakPolarHBondContact CD-OE1 3.43Å
30	E	84.6	Confident	68	Low	80 Å²	80	82 Å²	82	37%	0.374	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-95.5	146.7	-170.6	-63.5	178.4	179.8	0	0	113.7	T27 Q191	T27-E30 PolarHBondContact O-N 3.16Å; E30-Q191 PolarHBondContact O-NE2 3.41Å
31	S	89.9	Confident	71.2	Confident	15 Å²	15	73.6 Å²	73.6	11%	0.105	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-69.5	158.5	166.1	62.8	0	0	0	0	111.5	R33 W216 E220	S31-R33 PolarHBondContact O-N 3.42Å; S31-W216 PolarHBondContact O-NE1 2.7Å; S31-W216 PolarHBondContact OG-NE1 3.12Å; S31-E220 WeakPolarHBondContact CA-OE1 3.24Å; S31-E220 WeakPolarHBondContact CB-OE1 3.34Å; S31-E220 PolarHBondContact N-OE1 2.74Å; S31-E220 PolarHBondContact OG-OE1 3.22Å
32	I	93.1	Very high	74.4	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.041	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-68.3	120.2	178.9	-61.7	167.2	0	0	0	108.5	P34 L164 L167 Q191 A193 L196	I32-P34 WeakPolarHBondContact O-CD 3.32Å; I32-L164 WeakPolarHBondContact O-CD2 3.45Å; I32-L167 HydrophobicContact CD1-CD1 4.24Å; I32-Q191 HydrophobicContact CD1-CB 4.35Å; I32-Q191 HydrophobicContact CG1-CG 4.34Å; I32-A193 HydrophobicContact CD1-CB 3.78Å; I32-A193 WeakPolarHBondContact CD1-O 3.23Å; I32-L196 HydrophobicContact CG2-CB 3.97Å
33	R	95.2	Very high	77.7	Confident	137 Å²	137	71.2 Å²	71.2	52%	0.517	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-73	122.3	171.9	-171.6	169.9	178.9	172.5	-0.2	109.5	S31 W216	S31-R33 PolarHBondContact O-N 3.42Å; R33-W216 HydrophobicContact CB-CG 4.13Å; R33-W216 HydrophobicContact CG-CB 4.29Å; R33-W216 HydrophobicContact CG-CD2 4.39Å; R33-W216 HydrophobicContact CG-CG 4.03Å
34	P	97.7	Very high	80.9	Confident	6 Å²	6	69.8 Å²	69.8	4%	0.039	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-63.3	145.5	178	-18.1	29.6	0	0	0	111.6	I32 L160 L164 L196 W198 T212	I32-P34 WeakPolarHBondContact O-CD 3.32Å; P34-L160 HydrophobicContact CB-CD2 4.17Å; P34-L160 HydrophobicContact CG-CD2 4.13Å; P34-L164 HydrophobicContact CG-CD1 4.46Å; P34-L164 HydrophobicContact CG-CD2 4.41Å; P34-L196 CarbonylContact C-O 3.54Å; P34-L196 VanDerWaalsContact CA-O 3.25Å; P34-L196 WeakPolarHBondContact CA-O 3.2Å; P34-L196 HydrophobicContact CB-CD2 4.38Å; P34-L196 HydrophobicContact CB-CG 4.45Å; P34-L196 HydrophobicContact CG-CD2 4.14Å; P34-W198 HydrophobicContact CB-CB 4.49Å; P34-T212 HydrophobicContact CB-CG2 3.91Å
35	V	98	Very high	84.2	Confident	73 Å²	73	67.4 Å²	67.4	44%	0.442	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123	178.6	-179.4	0	0	0	0	109.2	V195 L196 G197 W198	V35-V195 HydrophobicContact CG2-CG1 4.23Å; V35-L196 PolarHBondContact N-O 2.72Å; V35-G197 CarbonylContact O-C 3.49Å; V35-G197 WeakPolarHBondContact O-CA 3.13Å; V35-W198 PolarHBondContact O-N 2.95Å
36	V	98.1	Very high	87.5	Confident	26 Å²	26	62.8 Å²	62.8	16%	0.158	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.9	179.1	-175.5	0	0	0	0	110.4	W198 H208 E209 T212	V36-W198 WeakPolarHBondContact CA-O 3.16Å; V36-H208 HydrophobicContact CG1-CB 3.93Å; V36-H208 HydrophobicContact CG2-CB 4.22Å; V36-H208 WeakPolarHBondContact CG2-O 3.26Å; V36-E209 WeakPolarHBondContact CB-OE1 3.33Å; V36-E209 HydrophobicContact CG2-CG 4.3Å; V36-T212 HydrophobicContact CG2-CG2 3.78Å
37	T	97.2	Very high	90.4	Very high	23 Å²	23	59.3 Å²	59.3	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145	171.7	-179.4	0	0	0	0	110.9	D39 Y45 L133 W198 F199 S200	T37-D39 PolarHBondContact OG1-N 2.62Å; T37-D39 VanDerWaalsContact OG1-N 3.08Å; T37-D39 PolarHBondContact OG1-O 3.18Å; T37-Y45 HydrophobicContact CG2-CE2 3.65Å; T37-L133 HydrophobicContact CG2-CD1 3.38Å; T37-L133 HydrophobicContact CG2-CD2 4.16Å; T37-L133 HydrophobicContact CG2-CG 4.44Å; T37-W198 PolarHBondContact N-O 3.05Å; T37-F199 CarbonylContact O-C 3.58Å; T37-F199 VanDerWaalsContact O-CA 3.29Å; T37-F199 WeakPolarHBondContact O-CA 3.38Å; T37-S200 PolarHBondContact O-N 3.28Å; T37-S200 PolarHBondContact O-OG 3.29Å
38	S	95.2	Very high	92.8	Very high	90 Å²	90	55.6 Å²	55.6	63%	0.629	28%	0.283	S	S	*	.	S	Bend	trans	-100.4	-4.1	168.9	56.5	0	0	0	0	112.9	F199	S38-F199 WeakPolarHBondContact O-CE2 3.32Å
39	D	95.5	Very high	94.5	Very high	80 Å²	80	50 Å²	50	43%	0.428	26%	0.257	S	S	.	.			trans	-95.7	107.4	179.3	-178.2	12.9	0	0	0	111	T37 C41 S42	T37-D39 PolarHBondContact OG1-N 2.62Å; T37-D39 VanDerWaalsContact OG1-N 3.08Å; T37-D39 PolarHBondContact OG1-O 3.18Å; D39-C41 PolarHBondContact O-N 3.47Å; D39-C41 WeakPolarHBondContact OD1-CA 3.37Å; D39-C41 PolarHBondContact OD1-N 2.84Å; D39-S42 VanDerWaalsContact CG-N 3.34Å; D39-S42 PolarHBondContact O-N 3.19Å; D39-S42 PolarHBondContact OD1-N 3.06Å; D39-S42 VanDerWaalsContact OD2-CA 3.3Å; D39-S42 WeakPolarHBondContact OD2-CA 3.32Å; D39-S42 PolarHBondContact OD2-N 2.91Å
40	L	94.3	Very high	95.7	Very high	15 Å²	15	45 Å²	45	8%	0.079	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22.6	177.7	-169.9	62.7	0	0	0	111.9	V48 F61 P63 L64 L90 L133 L135 F199	L40-V48 HydrophobicContact CD1-CG1 3.99Å; L40-V48 HydrophobicContact CD1-CG2 4.34Å; L40-F61 HydrophobicContact CD2-CB 4.11Å; L40-P63 HydrophobicContact CD2-CB 4.4Å; L40-P63 HydrophobicContact CD2-CG 4.16Å; L40-L64 HydrophobicContact CD2-CD1 4.19Å; L40-L64 HydrophobicContact CD2-CD2 4.31Å; L40-L64 HydrophobicContact CD2-CG 4.04Å; L40-L90 HydrophobicContact CG-CD2 4.26Å; L40-L133 HydrophobicContact CD1-CD2 4.2Å; L40-L135 HydrophobicContact CD1-CD2 4.08Å; L40-F199 HydrophobicContact CB-CD2 4.37Å; L40-F199 HydrophobicContact CB-CE2 3.65Å; L40-F199 HydrophobicContact CB-CZ 4.03Å; L40-F199 HydrophobicContact CD1-CD2 4.2Å; L40-F199 HydrophobicContact CD1-CE2 4.18Å; L40-F199 HydrophobicContact CD1-CZ 4.48Å; L40-F199 HydrophobicContact CG-CE2 4.48Å
41	C	95.1	Very high	96.3	Very high	45 Å²	45	41.2 Å²	41.2	30%	0.304	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	22.4	-179.4	-66.4	0	0	0	0	111.9	D39 Q43 P91	D39-C41 PolarHBondContact O-N 3.47Å; D39-C41 WeakPolarHBondContact OD1-CA 3.37Å; D39-C41 PolarHBondContact OD1-N 2.84Å; C41-Q43 PolarHBondContact O-N 3.06Å; C41-P91 HydrophobicContact CB-CG 4.34Å; C41-P91 WeakPolarHBondContact O-CG 3.33Å
42	S	95.5	Very high	96.6	Very high	15 Å²	15	40.6 Å²	40.6	11%	0.105	22%	0.215	C	C	.	.			trans	-64.5	134.5	175.6	166.6	0	0	0	0	110.7	D39 D44	D39-S42 VanDerWaalsContact CG-N 3.34Å; D39-S42 PolarHBondContact O-N 3.19Å; D39-S42 PolarHBondContact OD1-N 3.06Å; D39-S42 VanDerWaalsContact OD2-CA 3.3Å; D39-S42 WeakPolarHBondContact OD2-CA 3.32Å; D39-S42 PolarHBondContact OD2-N 2.91Å; S42-D44 PolarHBondContact O-N 2.63Å; S42-D44 WeakPolarHBondContact OG-CB 3.39Å; S42-D44 PolarHBondContact OG-N 3.5Å; S42-D44 VanDerWaalsContact OG-N 3.1Å; S42-D44 PolarHBondContact OG-OD2 2.83Å
43	Q	95.3	Very high	96.6	Very high	176 Å²	176	40.2 Å²	40.2	82%	0.822	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.8	175.7	-62.2	-178.4	7.4	0	0	112.8	C41 Y45 P91	C41-Q43 PolarHBondContact O-N 3.06Å; Q43-Y45 PolarHBondContact O-N 3.25Å; Q43-P91 HydrophobicContact CG-CB 4.25Å; Q43-P91 HydrophobicContact CG-CG 4.38Å
44	D	96.7	Very high	96.4	Very high	93 Å²	93	35.4 Å²	35.4	50%	0.497	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.7	177.3	-68.6	-49.5	0	0	0	113.4	S42 R131	S42-D44 PolarHBondContact O-N 2.63Å; S42-D44 WeakPolarHBondContact OG-CB 3.39Å; S42-D44 PolarHBondContact OG-N 3.5Å; S42-D44 VanDerWaalsContact OG-N 3.1Å; S42-D44 PolarHBondContact OG-OD2 2.83Å; D44-R131 PolarHBondContact O-NE 3.5Å; D44-R131 PolarHBondContact O-NH2 2.93Å; D44-R131 IonicContact OD1-NH2 2.75Å; D44-R131 PolarHBondContact OD1-NH2 2.97Å
45	Y	97.9	Very high	96	Very high	20 Å²	20	35.5 Å²	35.5	8%	0.078	20%	0.198	C	C	.	.			trans	-120.5	135.8	-177	-55.4	-75.5	0	0	0	111.3	T37 Q43 R131 L133 V195	T37-Y45 HydrophobicContact CG2-CE2 3.65Å; Q43-Y45 PolarHBondContact O-N 3.25Å; Y45-R131 CarbonylContact C-O 3.52Å; Y45-R131 WeakPolarHBondContact CA-O 3.25Å; Y45-R131 VanDerWaalsContact CB-O 3.32Å; Y45-R131 WeakPolarHBondContact CB-O 3.44Å; Y45-L133 HydrophobicContact CD1-CB 3.93Å; Y45-L133 HydrophobicContact CD2-CB 4.15Å; Y45-L133 HydrophobicContact CD2-CD1 4.49Å; Y45-L133 HydrophobicContact CD2-CD2 4.05Å; Y45-L133 HydrophobicContact CD2-CG 4.47Å; Y45-L133 HydrophobicContact CE1-CD1 4.48Å; Y45-L133 HydrophobicContact CE2-CD1 4.3Å; Y45-L133 HydrophobicContact CE2-CD2 4.43Å; Y45-L133 HydrophobicContact CG-CB 3.71Å; Y45-L133 HydrophobicContact CG-CD2 4.45Å; Y45-L133 HydrophobicContact CG-CG 4.5Å; Y45-V195 HydrophobicContact CE1-CG1 4.02Å
46	D	97.8	Very high	95.5	Very high	41 Å²	41	34.2 Å²	34.2	22%	0.219	19%	0.193	C	C	.	.	S	Bend	trans	-102.9	0.6	-175.1	75.2	-13.3	0	0	0	113.5	S92 R94 S129 K130 R131	D46-S92 VanDerWaalsContact C-CB 3.42Å; D46-S92 WeakPolarHBondContact O-CB 3.46Å; D46-R94 WeakPolarHBondContact O-CD 3.48Å; D46-R94 PolarHBondContact O-NH1 3.48Å; D46-R94 IonicContact OD2-NH1 3.99Å; D46-S129 WeakPolarHBondContact OD1-CB 3.45Å; D46-S129 PolarHBondContact OD1-OG 3.42Å; D46-S129 WeakPolarHBondContact OD2-CA 3.49Å; D46-K130 PolarHBondContact OD1-N 3.14Å; D46-K130 PolarHBondContact OD2-N 3.27Å; D46-R131 PolarHBondContact N-O 2.85Å; D46-R131 VanDerWaalsContact OD1-C 3.22Å; D46-R131 WeakPolarHBondContact OD1-CA 3.41Å; D46-R131 PolarHBondContact OD1-N 3.18Å
47	S	98.2	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	153.5	165	69.8	0	0	0	0	110.5	R94 S129 L133	S47-R94 WeakPolarHBondContact CA-O 3.38Å; S47-S129 WeakPolarHBondContact OG-CB 3.44Å; S47-S129 PolarHBondContact OG-OG 3.25Å; S47-L133 PolarHBondContact O-N 3.4Å
48	V	98.2	Very high	94.5	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.4	168.1	174.1	0	0	0	0	108.3	L40 L90 R94 L95 V96 L133	L40-V48 HydrophobicContact CD1-CG1 3.99Å; L40-V48 HydrophobicContact CD1-CG2 4.34Å; V48-L90 HydrophobicContact CB-CD1 3.78Å; V48-L90 HydrophobicContact CG2-CD1 3.61Å; V48-L90 HydrophobicContact CG2-CD2 4.01Å; V48-L90 HydrophobicContact CG2-CG 4.42Å; V48-R94 PolarHBondContact N-O 2.82Å; V48-L95 HydrophobicContact CB-CD1 4.16Å; V48-L95 HydrophobicContact CG1-CD1 4Å; V48-L95 CarbonylContact O-C 3.54Å; V48-L95 WeakPolarHBondContact O-CA 3.48Å; V48-V96 PolarHBondContact O-N 2.77Å; V48-L133 CarbonylContact C-O 3.51Å; V48-L133 HydrophobicContact CG2-CB 4.43Å; V48-L133 HydrophobicContact CG2-CD2 4.37Å
49	V	98.4	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	105.4	177.4	-175.5	0	0	0	0	108.7	V96 I121 A124 P132 L133 L134 L135	V49-V96 CarbonylContact C-O 3.55Å; V49-V96 WeakPolarHBondContact CA-O 3.38Å; V49-V96 HydrophobicContact CG1-CB 4.47Å; V49-V96 HydrophobicContact CG1-CG1 4.46Å; V49-V96 HydrophobicContact CG2-CB 4.2Å; V49-I121 HydrophobicContact CB-CD1 4.19Å; V49-I121 HydrophobicContact CG1-CD1 4.3Å; V49-I121 HydrophobicContact CG1-CG1 4.5Å; V49-I121 HydrophobicContact CG2-CD1 3.96Å; V49-A124 HydrophobicContact CG2-CB 3.65Å; V49-P132 HydrophobicContact CG2-CB 4.09Å; V49-L133 PolarHBondContact N-O 3.47Å; V49-L134 HydrophobicContact CB-CD1 4.28Å; V49-L134 HydrophobicContact CG1-CD1 4.08Å; V49-L135 PolarHBondContact O-N 2.78Å
50	L	97.8	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.2	179.8	174.3	65.7	0	0	0	110.2	V52 A58 F61 L64 L68 L95 V96 V97 S98 L135	L50-V52 HydrophobicContact CD1-CG1 3.61Å; L50-V52 HydrophobicContact CD2-CG1 4.18Å; L50-V52 HydrophobicContact CD2-CG2 4.39Å; L50-V52 HydrophobicContact CG-CG1 3.79Å; L50-V52 HydrophobicContact CG-CG2 4.24Å; L50-A58 HydrophobicContact CD2-CB 3.72Å; L50-F61 HydrophobicContact CD1-CD2 4.25Å; L50-F61 HydrophobicContact CD1-CE2 4.15Å; L50-L64 HydrophobicContact CD2-CD1 4.11Å; L50-L68 HydrophobicContact CD2-CD1 3.91Å; L50-L95 HydrophobicContact CB-CD1 4.2Å; L50-V96 PolarHBondContact N-O 2.84Å; L50-V97 HydrophobicContact CD2-CG1 4.22Å; L50-V97 HydrophobicContact CG-CG1 4.48Å; L50-V97 CarbonylContact O-C 3.58Å; L50-V97 WeakPolarHBondContact O-CA 3.46Å; L50-S98 PolarHBondContact O-N 2.92Å; L50-L135 HydrophobicContact CD1-CB 4.42Å; L50-L135 HydrophobicContact CD1-CD2 3.68Å; L50-L135 HydrophobicContact CD1-CG 3.7Å
51	V	97.6	Very high	93.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.5	173	-179.3	0	0	0	0	109.1	S98 T100 A116 L134 L135 L136 G137	V51-S98 WeakPolarHBondContact CA-O 3.44Å; V51-T100 HydrophobicContact CG1-CG2 3.89Å; V51-A116 HydrophobicContact CG1-CB 3.76Å; V51-L134 HydrophobicContact CG2-CD1 3.93Å; V51-L135 PolarHBondContact N-O 3.48Å; V51-L136 HydrophobicContact CB-CD1 4.03Å; V51-L136 HydrophobicContact CG1-CD1 3.82Å; V51-G137 PolarHBondContact O-N 3.27Å
52	V	95.8	Very high	93.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.7	-174	-76.9	0	0	0	0	112.1	L50 D57 A58 V97 S98 F99 T100	L50-V52 HydrophobicContact CD1-CG1 3.61Å; L50-V52 HydrophobicContact CD2-CG1 4.18Å; L50-V52 HydrophobicContact CD2-CG2 4.39Å; L50-V52 HydrophobicContact CG-CG1 3.79Å; L50-V52 HydrophobicContact CG-CG2 4.24Å; V52-D57 HydrophobicContact CB-CB 4.49Å; V52-D57 HydrophobicContact CG1-CB 4.27Å; V52-A58 HydrophobicContact CG1-CB 4.49Å; V52-V97 HydrophobicContact CG2-CG1 3.99Å; V52-S98 PolarHBondContact N-O 3.47Å; V52-F99 HydrophobicContact CG2-CD1 3.9Å; V52-F99 HydrophobicContact CG2-CE1 3.73Å; V52-F99 HydrophobicContact CG2-CZ 4.42Å; V52-F99 CarbonylContact O-C 3.56Å; V52-F99 VanDerWaalsContact O-CA 3.24Å; V52-F99 WeakPolarHBondContact O-CA 3.23Å; V52-T100 PolarHBondContact O-N 3.4Å; V52-T100 PolarHBondContact O-OG1 2.86Å
53	E	93.4	Very high	93.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.199	C	C	.	.	S	Bend	trans	-77.7	-48.2	169	-59.1	177	-67.8	0	0	110.7	T100 L103 L139 K140 T141 A142	E53-T100 WeakPolarHBondContact CA-OG1 3.25Å; E53-T100 WeakPolarHBondContact CG-OG1 3.42Å; E53-L103 HydrophobicContact CG-CD1 4.19Å; E53-L103 HydrophobicContact CG-CG 4.21Å; E53-L103 WeakPolarHBondContact OE2-CB 3.13Å; E53-L103 WeakPolarHBondContact OE2-CG 3.01Å; E53-L103 PolarHBondContact OE2-N 3.36Å; E53-L139 HydrophobicContact CG-CD2 3.67Å; E53-L139 WeakPolarHBondContact OE1-CA 3.39Å; E53-K140 PolarHBondContact OE1-N 3.44Å; E53-T141 VanDerWaalsContact CD-OG1 3.26Å; E53-T141 PolarHBondContact OE1-N 3.43Å; E53-T141 PolarHBondContact OE2-OG1 3.47Å; E53-A142 PolarHBondContact OE2-N 2.78Å
54	D	91.4	Very high	93.3	Very high	35 Å²	35	28 Å²	28	19%	0.187	16%	0.16	C	C	.	.	S	Bend	trans	-139.7	162.4	-179.4	-179.5	-107.8	0	0	0	112.3	S56 D57 C79	D54-S56 PolarHBondContact O-N 3.36Å; D54-S56 VanDerWaalsContact OD1-CB 3.29Å; D54-S56 WeakPolarHBondContact OD1-CB 3.27Å; D54-S56 PolarHBondContact OD1-N 3.31Å; D54-S56 PolarHBondContact OD1-OG 3.3Å; D54-D57 PolarHBondContact N-OD2 2.76Å; D54-D57 VanDerWaalsContact N-OD2 3.1Å; D54-D57 WeakPolarHBondContact O-CB 3.41Å; D54-D57 PolarHBondContact O-N 3.49Å; D54-D57 VanDerWaalsContact O-N 3.15Å; D54-C79 PolarHBondContact OD2-SG 3.23Å
55	V	89.7	Confident	93.1	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.048	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.8	-38.5	176.9	173.4	0	0	0	0	112.2	D57 A58 F59 L68 F78 F99	V55-D57 PolarHBondContact O-N 3.42Å; V55-A58 WeakPolarHBondContact O-CB 3.05Å; V55-A58 PolarHBondContact O-N 2.82Å; V55-A58 VanDerWaalsContact O-N 3.1Å; V55-F59 HydrophobicContact CG1-CE1 3.98Å; V55-F59 HydrophobicContact CG1-CZ 4.35Å; V55-L68 HydrophobicContact CG1-CB 3.92Å; V55-F78 HydrophobicContact CG2-CD1 3.6Å; V55-F78 HydrophobicContact CG2-CE1 3.65Å; V55-F99 HydrophobicContact CG2-CE1 4.12Å; V55-F99 HydrophobicContact CG2-CZ 3.98Å
56	S	87.4	Confident	93	Very high	47 Å²	47	29.5 Å²	29.5	33%	0.329	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-65.7	-17.3	-178.5	63.9	0	0	0	0	114	D54 A58 K140	D54-S56 PolarHBondContact O-N 3.36Å; D54-S56 VanDerWaalsContact OD1-CB 3.29Å; D54-S56 WeakPolarHBondContact OD1-CB 3.27Å; D54-S56 PolarHBondContact OD1-N 3.31Å; D54-S56 PolarHBondContact OD1-OG 3.3Å; S56-A58 VanDerWaalsContact C-N 3.28Å; S56-K140 PolarHBondContact O-NZ 3.41Å
57	D	86.5	Confident	92.8	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.027	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-74.7	-22.3	175.5	-60.1	-40.5	0	0	0	112.7	V52 D54 V55 F59 P138 K140	V52-D57 HydrophobicContact CB-CB 4.49Å; V52-D57 HydrophobicContact CG1-CB 4.27Å; D54-D57 PolarHBondContact N-OD2 2.76Å; D54-D57 VanDerWaalsContact N-OD2 3.1Å; D54-D57 WeakPolarHBondContact O-CB 3.41Å; D54-D57 PolarHBondContact O-N 3.49Å; D54-D57 VanDerWaalsContact O-N 3.15Å; V55-D57 PolarHBondContact O-N 3.42Å; D57-F59 VanDerWaalsContact C-N 3.33Å; D57-F59 PolarHBondContact O-N 3.4Å; D57-P138 HydrophobicContact CB-CB 4.34Å; D57-P138 WeakPolarHBondContact CB-O 3.45Å; D57-P138 VanDerWaalsContact CG-O 3.3Å; D57-P138 VanDerWaalsContact O-CD 3.28Å; D57-P138 WeakPolarHBondContact O-CD 3.37Å; D57-K140 WeakPolarHBondContact OD1-CD 3.47Å; D57-K140 VanDerWaalsContact OD1-CE 3.23Å; D57-K140 WeakPolarHBondContact OD1-CE 3.09Å; D57-K140 VanDerWaalsContact OD1-CG 3.31Å; D57-K140 WeakPolarHBondContact OD1-CG 3.24Å; D57-K140 IonicContact OD1-NZ 3.01Å; D57-K140 PolarHBondContact OD1-NZ 2.73Å
58	A	87	Confident	92.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-84.2	-5	179.8	0	0	0	0	0	113.9	L50 V52 V55 S56 S60 F61 L68	L50-A58 HydrophobicContact CD2-CB 3.72Å; V52-A58 HydrophobicContact CG1-CB 4.49Å; V55-A58 WeakPolarHBondContact O-CB 3.05Å; V55-A58 PolarHBondContact O-N 2.82Å; V55-A58 VanDerWaalsContact O-N 3.1Å; S56-A58 VanDerWaalsContact C-N 3.28Å; A58-S60 PolarHBondContact O-N 3.13Å; A58-S60 VanDerWaalsContact O-N 3.13Å; A58-F61 HydrophobicContact CB-CD2 4.33Å; A58-F61 WeakPolarHBondContact O-CB 3.31Å; A58-F61 PolarHBondContact O-N 3.12Å; A58-L68 HydrophobicContact CB-CD1 3.24Å
59	F	85.7	Confident	92.3	Very high	92 Å²	92	32.3 Å²	32.3	40%	0.404	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-65.5	-16.9	-174.6	-68	-12.9	0	0	0	114.4	V55 D57 F61 V65 Q69	V55-F59 HydrophobicContact CG1-CE1 3.98Å; V55-F59 HydrophobicContact CG1-CZ 4.35Å; D57-F59 VanDerWaalsContact C-N 3.33Å; D57-F59 PolarHBondContact O-N 3.4Å; F59-F61 PolarHBondContact O-N 3.23Å; F59-V65 HydrophobicContact CD1-CG1 3.9Å; F59-V65 HydrophobicContact CD1-CG2 4.4Å; F59-V65 HydrophobicContact CE1-CG1 4.24Å; F59-Q69 HydrophobicContact CE1-CG 3.96Å; F59-Q69 HydrophobicContact CZ-CG 4.19Å
60	S	86.7	Confident	92	Very high	78 Å²	78	37.4 Å²	37.4	55%	0.545	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-70.3	-18.7	169.3	54.1	0	0	0	0	113.5	A58 T62	A58-S60 PolarHBondContact O-N 3.13Å; A58-S60 VanDerWaalsContact O-N 3.13Å; S60-T62 PolarHBondContact O-N 3.33Å
61	F	92.1	Very high	91.8	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.044	21%	0.209	C	C	.	.	S	Bend	trans	-97.4	79.3	-179.7	-50.8	-59.8	0	0	0	109.7	L40 L50 A58 F59 P63 L64 L135 F199	L40-F61 HydrophobicContact CD2-CB 4.11Å; L50-F61 HydrophobicContact CD1-CD2 4.25Å; L50-F61 HydrophobicContact CD1-CE2 4.15Å; A58-F61 HydrophobicContact CB-CD2 4.33Å; A58-F61 WeakPolarHBondContact O-CB 3.31Å; A58-F61 PolarHBondContact O-N 3.12Å; F59-F61 PolarHBondContact O-N 3.23Å; F61-P63 VanDerWaalsContact C-N 3.29Å; F61-L64 HydrophobicContact CB-CB 4.45Å; F61-L64 HydrophobicContact CB-CD1 3.92Å; F61-L64 HydrophobicContact CB-CG 4.08Å; F61-L64 PolarHBondContact O-N 3.36Å; F61-L135 HydrophobicContact CD1-CD2 4.09Å; F61-L135 HydrophobicContact CD2-CD2 3.88Å; F61-L135 HydrophobicContact CE1-CD1 3.92Å; F61-L135 HydrophobicContact CE1-CD2 4.07Å; F61-L135 HydrophobicContact CE2-CD1 4.18Å; F61-L135 HydrophobicContact CE2-CD2 3.86Å; F61-L135 HydrophobicContact CE2-CG 4.2Å; F61-L135 HydrophobicContact CG-CD2 4Å; F61-L135 HydrophobicContact CZ-CD1 3.61Å; F61-L135 HydrophobicContact CZ-CD2 3.96Å; F61-L135 HydrophobicContact CZ-CG 4.13Å; F61-F199 HydrophobicContact CD1-CE1 4.11Å; F61-F199 HydrophobicContact CE1-CD1 4.45Å; F61-F199 AromaticContact CE1-CE1 3.82Å; F61-F199 HydrophobicContact CE1-CE1 3.82Å
62	T	91.4	Very high	91.5	Very high	115 Å²	115	40.2 Å²	40.2	71%	0.706	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-44.1	-42.9	-172.7	-46.5	0	0	0	0	114.9	S60 L64 V65	S60-T62 PolarHBondContact O-N 3.33Å; T62-L64 PolarHBondContact O-N 3.4Å; T62-L64 VanDerWaalsContact O-N 3.15Å; T62-V65 PolarHBondContact O-N 2.77Å
63	P	93.8	Very high	91.2	Very high	38 Å²	38	47.6 Å²	47.6	25%	0.247	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.5	-22.6	178.8	-25.4	36.7	0	0	0	115	L40 F61 C87 S89	L40-P63 HydrophobicContact CD2-CB 4.4Å; L40-P63 HydrophobicContact CD2-CG 4.16Å; F61-P63 VanDerWaalsContact C-N 3.29Å; P63-C87 PolarHBondContact O-SG 2.97Å; P63-S89 WeakPolarHBondContact O-CB 3.37Å; P63-S89 PolarHBondContact O-OG 2.8Å
64	L	95.5	Very high	91	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-96.2	-18.2	-173.6	-49.8	-175	0	0	0	113.3	L40 L50 F61 T62 E66 T67 L68 L90 L95 L135	L40-L64 HydrophobicContact CD2-CD1 4.19Å; L40-L64 HydrophobicContact CD2-CD2 4.31Å; L40-L64 HydrophobicContact CD2-CG 4.04Å; L50-L64 HydrophobicContact CD2-CD1 4.11Å; F61-L64 HydrophobicContact CB-CB 4.45Å; F61-L64 HydrophobicContact CB-CD1 3.92Å; F61-L64 HydrophobicContact CB-CG 4.08Å; F61-L64 PolarHBondContact O-N 3.36Å; T62-L64 PolarHBondContact O-N 3.4Å; T62-L64 VanDerWaalsContact O-N 3.15Å; L64-E66 PolarHBondContact O-N 2.76Å; L64-T67 PolarHBondContact O-N 3.42Å; L64-L68 HydrophobicContact CB-CD1 3.96Å; L64-L68 HydrophobicContact CB-CG 4.48Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.22Å; L64-L68 VanDerWaalsContact O-N 3.07Å; L64-L90 HydrophobicContact CD2-CD1 3.75Å; L64-L90 HydrophobicContact CD2-CD2 3.95Å; L64-L90 HydrophobicContact CD2-CG 3.95Å; L64-L95 HydrophobicContact CD1-CD1 4.34Å; L64-L95 HydrophobicContact CD2-CD1 4.2Å; L64-L95 HydrophobicContact CD2-CD2 4.32Å; L64-L135 HydrophobicContact CD1-CD2 4.36Å
65	V	93.9	Very high	90.8	Very high	28 Å²	28	55.1 Å²	55.1	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-52.4	-165.5	179.8	0	0	0	0	112.9	F59 T62 T67 L68 Q69	F59-V65 HydrophobicContact CD1-CG1 3.9Å; F59-V65 HydrophobicContact CD1-CG2 4.4Å; F59-V65 HydrophobicContact CE1-CG1 4.24Å; T62-V65 PolarHBondContact O-N 2.77Å; V65-T67 PolarHBondContact O-N 3.03Å; V65-L68 PolarHBondContact O-N 3.22Å; V65-Q69 HydrophobicContact CG1-CG 4.32Å; V65-Q69 WeakPolarHBondContact O-CG 3.26Å; V65-Q69 PolarHBondContact O-N 2.96Å
66	E	94	Very high	90.3	Very high	118 Å²	118	64.1 Å²	64.1	55%	0.551	34%	0.344	S	S	*	.	H	α-helix	trans	-58.3	-49	-178.2	-176.6	-179.1	-169.9	0	0	111	L64 L68 Q69 E70	L64-E66 PolarHBondContact O-N 2.76Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-L68 PolarHBondContact O-N 3.36Å; E66-Q69 PolarHBondContact O-N 3.36Å; E66-E70 WeakPolarHBondContact O-CG 3.3Å; E66-E70 PolarHBondContact O-N 3.47Å
67	T	94.8	Very high	90.2	Very high	15 Å²	15	69.7 Å²	69.7	9%	0.092	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-39.3	179.8	-57	0	0	0	0	112.3	L64 V65 A71 L85 C87 L95	L64-T67 PolarHBondContact O-N 3.42Å; V65-T67 PolarHBondContact O-N 3.03Å; T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 2.81Å; T67-L85 HydrophobicContact CG2-CB 4.05Å; T67-L85 HydrophobicContact CG2-CD1 4.1Å; T67-C87 HydrophobicContact CG2-CB 3.96Å; T67-C87 PolarHBondContact OG1-SG 2.84Å; T67-L95 HydrophobicContact CG2-CD2 4.39Å
68	L	93.9	Very high	90.2	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-72.5	-39.2	179.3	-67.9	172.2	0	0	0	112.3	L50 V55 A58 L64 V65 E66 A71 S72 F78 L85 L95 V97	L50-L68 HydrophobicContact CD2-CD1 3.91Å; V55-L68 HydrophobicContact CG1-CB 3.92Å; A58-L68 HydrophobicContact CB-CD1 3.24Å; L64-L68 HydrophobicContact CB-CD1 3.96Å; L64-L68 HydrophobicContact CB-CG 4.48Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.22Å; L64-L68 VanDerWaalsContact O-N 3.07Å; V65-L68 PolarHBondContact O-N 3.22Å; E66-L68 VanDerWaalsContact C-N 3.32Å; E66-L68 PolarHBondContact O-N 3.36Å; L68-A71 PolarHBondContact O-N 2.9Å; L68-S72 WeakPolarHBondContact O-CB 3.34Å; L68-S72 PolarHBondContact O-N 2.65Å; L68-S72 PolarHBondContact O-OG 3.02Å; L68-F78 HydrophobicContact CD2-CE1 4.08Å; L68-F78 HydrophobicContact CD2-CZ 4.03Å; L68-L85 HydrophobicContact CD2-CD1 4.26Å; L68-L95 HydrophobicContact CD2-CD2 4.13Å; L68-L95 HydrophobicContact CG-CD2 4.44Å; L68-V97 HydrophobicContact CD2-CG1 4.34Å; L68-V97 HydrophobicContact CD2-CG2 3.61Å
69	Q	91.9	Very high	90.1	Very high	86 Å²	86	72.3 Å²	72.3	40%	0.402	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-47.7	175.7	-74.7	177.5	-19.5	0	0	110.9	F59 V65 E66 A71 S72 Q73	F59-Q69 HydrophobicContact CE1-CG 3.96Å; F59-Q69 HydrophobicContact CZ-CG 4.19Å; V65-Q69 HydrophobicContact CG1-CG 4.32Å; V65-Q69 WeakPolarHBondContact O-CG 3.26Å; V65-Q69 PolarHBondContact O-N 2.96Å; E66-Q69 PolarHBondContact O-N 3.36Å; Q69-A71 PolarHBondContact O-N 2.95Å; Q69-S72 PolarHBondContact O-N 2.65Å; Q69-S72 PolarHBondContact O-OG 2.74Å; Q69-Q73 WeakPolarHBondContact O-CG 3.4Å; Q69-Q73 PolarHBondContact O-N 3.38Å; Q69-Q73 VanDerWaalsContact O-N 3.14Å
70	E	92.9	Very high	90.2	Very high	108 Å²	108	70.8 Å²	70.8	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-47.5	175.7	-71.8	-178.4	164	0	0	111.5	E66 S72 Q73 V74	E66-E70 WeakPolarHBondContact O-CG 3.3Å; E66-E70 PolarHBondContact O-N 3.47Å; E70-S72 VanDerWaalsContact C-N 3.31Å; E70-S72 PolarHBondContact O-N 3.18Å; E70-Q73 PolarHBondContact O-N 3.46Å; E70-Q73 VanDerWaalsContact O-N 3.16Å; E70-V74 WeakPolarHBondContact O-CG2 3.47Å; E70-V74 PolarHBondContact O-N 3.28Å; E70-V74 VanDerWaalsContact O-N 3.14Å
71	A	92.6	Very high	90.3	Very high	15 Å²	15	72 Å²	72	12%	0.124	38%	0.382	C	S	.	.	H	α-helix	trans	-60.7	-39.9	178.9	0	0	0	0	0	112.5	T67 L68 Q69 Q73 V74 N75 F78 L85	T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 2.81Å; L68-A71 PolarHBondContact O-N 2.9Å; Q69-A71 PolarHBondContact O-N 2.95Å; A71-Q73 VanDerWaalsContact C-N 3.29Å; A71-Q73 PolarHBondContact O-N 3.46Å; A71-V74 PolarHBondContact O-N 3.32Å; A71-N75 PolarHBondContact O-N 3.02Å; A71-F78 HydrophobicContact CB-CD1 4.22Å; A71-F78 HydrophobicContact CB-CD2 4.11Å; A71-F78 HydrophobicContact CB-CE1 3.87Å; A71-F78 HydrophobicContact CB-CE2 3.77Å; A71-F78 HydrophobicContact CB-CG 4.35Å; A71-F78 HydrophobicContact CB-CZ 3.68Å; A71-L85 HydrophobicContact CB-CD1 3.66Å; A71-L85 HydrophobicContact CB-CD2 3.95Å; A71-L85 HydrophobicContact CB-CG 4.49Å
72	S	90.7	Very high	90.5	Very high	44 Å²	44	73 Å²	73	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-67.1	-28.5	177.9	74.6	0	0	0	0	113.4	L68 Q69 E70	L68-S72 WeakPolarHBondContact O-CB 3.34Å; L68-S72 PolarHBondContact O-N 2.65Å; L68-S72 PolarHBondContact O-OG 3.02Å; Q69-S72 PolarHBondContact O-N 2.65Å; Q69-S72 PolarHBondContact O-OG 2.74Å; E70-S72 VanDerWaalsContact C-N 3.31Å; E70-S72 PolarHBondContact O-N 3.18Å
73	Q	89.9	Confident	90.7	Very high	156 Å²	156	69.4 Å²	69.4	73%	0.729	36%	0.364	S	S	*	.	H	α-helix	trans	-76.6	-33.9	176	-69.4	173.7	10.5	0	0	112.1	Q69 E70 A71	Q69-Q73 WeakPolarHBondContact O-CG 3.4Å; Q69-Q73 PolarHBondContact O-N 3.38Å; Q69-Q73 VanDerWaalsContact O-N 3.14Å; E70-Q73 PolarHBondContact O-N 3.46Å; E70-Q73 VanDerWaalsContact O-N 3.16Å; A71-Q73 VanDerWaalsContact C-N 3.29Å; A71-Q73 PolarHBondContact O-N 3.46Å
74	V	89.6	Confident	90.9	Very high	131 Å²	131	70.4 Å²	70.4	79%	0.794	37%	0.369	S	S	*	.	H	α-helix	trans	-78	-40.7	-178.5	174.8	0	0	0	0	111.6	E70 A71	E70-V74 WeakPolarHBondContact O-CG2 3.47Å; E70-V74 PolarHBondContact O-N 3.28Å; E70-V74 VanDerWaalsContact O-N 3.14Å; A71-V74 PolarHBondContact O-N 3.32Å
75	N	86.7	Confident	90.9	Very high	63 Å²	63	72 Å²	72	34%	0.337	38%	0.377	S	S	.	.			trans	-118	106.1	-177.4	178.7	8.2	0	0	0	110.9	A71 K77 F78	A71-N75 PolarHBondContact O-N 3.02Å; N75-K77 PolarHBondContact O-N 3.11Å; N75-K77 PolarHBondContact OD1-N 3.26Å; N75-F78 HydrophobicContact CB-CB 4.09Å; N75-F78 WeakPolarHBondContact O-CB 3.24Å; N75-F78 PolarHBondContact O-N 3.47Å
76	Q	80.1	Confident	91.1	Very high	196 Å²	196	75.8 Å²	75.8	92%	0.916	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.4	177.6	-66.4	-178.2	-6.2	0	0	114.1
77	K	83.8	Confident	91.2	Very high	164 Å²	164	70.1 Å²	70.1	71%	0.713	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	18.4	175.5	-64.2	-173.9	177.6	-177.5	0	112.9	N75 C79 S80	N75-K77 PolarHBondContact O-N 3.11Å; N75-K77 PolarHBondContact OD1-N 3.26Å; K77-C79 VanDerWaalsContact C-N 3.27Å; K77-C79 PolarHBondContact O-N 2.77Å; K77-S80 PolarHBondContact O-N 2.9Å; K77-S80 PolarHBondContact O-OG 3.48Å; K77-S80 VanDerWaalsContact O-OG 3.04Å
78	F	86.9	Confident	91.2	Very high	4 Å²	4	80.1 Å²	80.1	2%	0.018	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.8	-175.6	-177.4	-115.5	0	0	0	113.1	V55 L68 A71 N75 S80 H83 L85 V97 F99	V55-F78 HydrophobicContact CG2-CD1 3.6Å; V55-F78 HydrophobicContact CG2-CE1 3.65Å; L68-F78 HydrophobicContact CD2-CE1 4.08Å; L68-F78 HydrophobicContact CD2-CZ 4.03Å; A71-F78 HydrophobicContact CB-CD1 4.22Å; A71-F78 HydrophobicContact CB-CD2 4.11Å; A71-F78 HydrophobicContact CB-CE1 3.87Å; A71-F78 HydrophobicContact CB-CE2 3.77Å; A71-F78 HydrophobicContact CB-CG 4.35Å; A71-F78 HydrophobicContact CB-CZ 3.68Å; N75-F78 HydrophobicContact CB-CB 4.09Å; N75-F78 WeakPolarHBondContact O-CB 3.24Å; N75-F78 PolarHBondContact O-N 3.47Å; F78-S80 PolarHBondContact O-N 2.8Å; F78-H83 HydrophobicContact CD2-CB 4.28Å; F78-H83 AromaticContact CD2-CD2 3.76Å; F78-H83 AromaticContact CD2-CG 3.72Å; F78-H83 HydrophobicContact CE2-CB 3.67Å; F78-H83 AromaticContact CE2-CD2 3.81Å; F78-H83 AromaticContact CE2-CG 3.61Å; F78-H83 PolarHBondContact O-CD2 3.25Å; F78-H83 PolarHBondContact O-NE2 3.02Å; F78-H83 VanDerWaalsContact O-NE2 3.14Å; F78-L85 HydrophobicContact CE2-CD1 3.86Å; F78-L85 HydrophobicContact CE2-CD2 4.17Å; F78-L85 HydrophobicContact CE2-CG 4.34Å; F78-L85 HydrophobicContact CZ-CD1 3.57Å; F78-L85 HydrophobicContact CZ-CG 4.49Å; F78-V97 HydrophobicContact CZ-CB 4.49Å; F78-V97 HydrophobicContact CZ-CG2 4.36Å; F78-F99 HydrophobicContact CD1-CZ 4.2Å; F78-F99 HydrophobicContact CE1-CE2 4.39Å; F78-F99 AromaticContact CE1-CZ 3.95Å; F78-F99 HydrophobicContact CE1-CZ 3.95Å; F78-F99 HydrophobicContact CZ-CE2 4.34Å; F78-F99 HydrophobicContact CZ-CZ 4.29Å; F78-F99 WeakPolarHBondContact O-CD2 3.24Å; F78-F99 WeakPolarHBondContact O-CE2 3.32Å; F78-F99 WeakPolarHBondContact O-CZ 3.4Å
79	C	85.3	Confident	91.2	Very high	56 Å²	56	82.8 Å²	82.8	38%	0.378	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	25.6	-179.1	-52.9	0	0	0	0	115.1	D54 K77 F99	D54-C79 PolarHBondContact OD2-SG 3.23Å; K77-C79 VanDerWaalsContact C-N 3.27Å; K77-C79 PolarHBondContact O-N 2.77Å; C79-F99 HydrophobicContact CB-CE1 4.48Å
80	S	87.8	Confident	91.5	Very high	61 Å²	61	78.9 Å²	78.9	43%	0.427	41%	0.411	S	S	.	.	S	Bend	trans	-145.5	154.5	178.8	66.6	0	0	0	0	110.5	K77 F78 H83	K77-S80 PolarHBondContact O-N 2.9Å; K77-S80 PolarHBondContact O-OG 3.48Å; K77-S80 VanDerWaalsContact O-OG 3.04Å; F78-S80 PolarHBondContact O-N 2.8Å; S80-H83 PolarHBondContact O-NE2 2.84Å
81	D	89.7	Confident	91.5	Very high	104 Å²	104	76.7 Å²	76.7	56%	0.556	41%	0.406	S	S	*	.	S	Bend	trans	65.6	-155.9	178.5	-153	-10.1	0	0	0	113.6	F99	D81-F99 WeakPolarHBondContact O-CD2 3.38Å; D81-F99 PolarHBondContact O-N 3.02Å
82	V	96.1	Very high	91.6	Very high	31 Å²	31	77.4 Å²	77.4	19%	0.188	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.8	179.4	66.2	0	0	0	0	111.7	V96 V97 Q123	V82-V96 HydrophobicContact CG2-CG1 3.58Å; V82-V97 CarbonylContact C-O 3.44Å; V82-V97 VanDerWaalsContact CA-O 3.31Å; V82-V97 WeakPolarHBondContact CA-O 3.2Å; V82-Q123 HydrophobicContact CG1-CB 4.26Å; V82-Q123 HydrophobicContact CG1-CG 4.41Å; V82-Q123 HydrophobicContact CG2-CB 3.71Å; V82-Q123 HydrophobicContact CG2-CG 3.89Å
83	H	96.1	Very high	91.9	Very high	39 Å²	39	81.3 Å²	81.3	18%	0.181	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.2	-178.4	-60.5	-82.8	0	0	0	111.3	F78 S80 V96 V97 F99	F78-H83 HydrophobicContact CD2-CB 4.28Å; F78-H83 AromaticContact CD2-CD2 3.76Å; F78-H83 AromaticContact CD2-CG 3.72Å; F78-H83 HydrophobicContact CE2-CB 3.67Å; F78-H83 AromaticContact CE2-CD2 3.81Å; F78-H83 AromaticContact CE2-CG 3.61Å; F78-H83 PolarHBondContact O-CD2 3.25Å; F78-H83 PolarHBondContact O-NE2 3.02Å; F78-H83 VanDerWaalsContact O-NE2 3.14Å; S80-H83 PolarHBondContact O-NE2 2.84Å; H83-V96 CarbonylContact O-C 3.52Å; H83-V96 VanDerWaalsContact O-CA 3.29Å; H83-V96 WeakPolarHBondContact O-CA 3.23Å; H83-V97 PolarHBondContact N-O 2.81Å; H83-V97 PolarHBondContact O-N 3.14Å; H83-F99 AromaticContact CD2-CE2 3.89Å
84	T	96.7	Very high	92.2	Very high	59 Å²	59	76.9 Å²	76.9	36%	0.362	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.3	171.4	-59	0	0	0	0	109.2	L95 Q123 I127	T84-L95 CarbonylContact C-O 3.48Å; T84-L95 WeakPolarHBondContact CA-O 3.29Å; T84-Q123 PolarHBondContact OG1-NE2 3.22Å; T84-I127 HydrophobicContact CG2-CD1 3.68Å; T84-I127 HydrophobicContact CG2-CG2 4.38Å
85	L	96.2	Very high	92.6	Very high	33 Å²	33	70.7 Å²	70.7	17%	0.173	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.2	-175.2	-58.2	-178.9	0	0	0	111.3	T67 L68 A71 F78 L95 V97	T67-L85 HydrophobicContact CG2-CB 4.05Å; T67-L85 HydrophobicContact CG2-CD1 4.1Å; L68-L85 HydrophobicContact CD2-CD1 4.26Å; A71-L85 HydrophobicContact CB-CD1 3.66Å; A71-L85 HydrophobicContact CB-CD2 3.95Å; A71-L85 HydrophobicContact CB-CG 4.49Å; F78-L85 HydrophobicContact CE2-CD1 3.86Å; F78-L85 HydrophobicContact CE2-CD2 4.17Å; F78-L85 HydrophobicContact CE2-CG 4.34Å; F78-L85 HydrophobicContact CZ-CD1 3.57Å; F78-L85 HydrophobicContact CZ-CG 4.49Å; L85-L95 HydrophobicContact CB-CB 4.37Å; L85-L95 HydrophobicContact CD1-CD2 4.39Å; L85-L95 PolarHBondContact N-O 3.28Å; L85-L95 PolarHBondContact O-N 3.4Å; L85-V97 HydrophobicContact CD1-CG2 4.14Å
86	T	96.8	Very high	93.2	Very high	107 Å²	107	67.7 Å²	67.7	66%	0.656	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.7	168.6	-59.3	0	0	0	0	109.1	K93	T86-K93 CarbonylContact C-O 3.55Å; T86-K93 VanDerWaalsContact CA-O 3.26Å; T86-K93 WeakPolarHBondContact CA-O 3.39Å; T86-K93 HydrophobicContact CG2-CB 4.43Å
87	C	96.2	Very high	94	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.			trans	-107.2	101.7	179.9	-176	0	0	0	0	110.4	P63 T67 S89 L90 K93 L95	P63-C87 PolarHBondContact O-SG 2.97Å; T67-C87 HydrophobicContact CG2-CB 3.96Å; T67-C87 PolarHBondContact OG1-SG 2.84Å; C87-S89 PolarHBondContact O-N 3.08Å; C87-L90 HydrophobicContact CB-CD1 3.98Å; C87-L90 HydrophobicContact CB-CG 4.21Å; C87-L90 PolarHBondContact O-N 2.79Å; C87-L90 VanDerWaalsContact O-N 3.16Å; C87-K93 PolarHBondContact N-O 2.88Å; C87-K93 WeakPolarHBondContact O-CA 3.49Å; C87-L95 HydrophobicContact CB-CB 3.84Å; C87-L95 HydrophobicContact CB-CD2 4.27Å
88	R	95.7	Very high	94.7	Very high	225 Å²	225	50.5 Å²	50.5	85%	0.849	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.5	-172.4	-66.9	179.9	-179.2	158.1	1.6	114.2	L90	R88-L90 VanDerWaalsContact C-N 3.3Å
89	S	94.9	Very high	95.2	Very high	57 Å²	57	50.9 Å²	50.9	40%	0.399	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.7	179.2	-52.2	0	0	0	0	113.2	P63 C87	P63-S89 WeakPolarHBondContact O-CB 3.37Å; P63-S89 PolarHBondContact O-OG 2.8Å; C87-S89 PolarHBondContact O-N 3.08Å
90	L	96.3	Very high	95.7	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.254	C	S	.	.	S	Bend	trans	-87.4	138.1	175.2	-66	177.4	0	0	0	110.5	L40 V48 L64 C87 R88 S92 K93 L95	L40-L90 HydrophobicContact CG-CD2 4.26Å; V48-L90 HydrophobicContact CB-CD1 3.78Å; V48-L90 HydrophobicContact CG2-CD1 3.61Å; V48-L90 HydrophobicContact CG2-CD2 4.01Å; V48-L90 HydrophobicContact CG2-CG 4.42Å; L64-L90 HydrophobicContact CD2-CD1 3.75Å; L64-L90 HydrophobicContact CD2-CD2 3.95Å; L64-L90 HydrophobicContact CD2-CG 3.95Å; C87-L90 HydrophobicContact CB-CD1 3.98Å; C87-L90 HydrophobicContact CB-CG 4.21Å; C87-L90 PolarHBondContact O-N 2.79Å; C87-L90 VanDerWaalsContact O-N 3.16Å; R88-L90 VanDerWaalsContact C-N 3.3Å; L90-S92 VanDerWaalsContact C-N 3.26Å; L90-S92 PolarHBondContact O-N 3.2Å; L90-K93 PolarHBondContact O-N 3.28Å; L90-L95 HydrophobicContact CD1-CB 4.27Å
91	P	94.5	Very high	95.9	Very high	63 Å²	63	47.1 Å²	47.1	41%	0.409	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-39.6	176.8	-21.6	28.4	0	0	0	113.4	C41 Q43 K93	C41-P91 HydrophobicContact CB-CG 4.34Å; C41-P91 WeakPolarHBondContact O-CG 3.33Å; Q43-P91 HydrophobicContact CG-CB 4.25Å; Q43-P91 HydrophobicContact CG-CG 4.38Å; P91-K93 PolarHBondContact O-N 2.58Å
92	S	94.2	Very high	96	Very high	29 Å²	29	46.7 Å²	46.7	20%	0.203	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.4	178.5	67.6	0	0	0	0	113.7	D46 L90 R94	D46-S92 VanDerWaalsContact C-CB 3.42Å; D46-S92 WeakPolarHBondContact O-CB 3.46Å; L90-S92 VanDerWaalsContact C-N 3.26Å; L90-S92 PolarHBondContact O-N 3.2Å; S92-R94 WeakPolarHBondContact O-CG 3.46Å; S92-R94 PolarHBondContact O-N 2.74Å; S92-R94 PolarHBondContact OG-N 3.47Å
93	K	96.5	Very high	95.9	Very high	127 Å²	127	45.2 Å²	45.2	55%	0.552	23%	0.232	S	C	*	.			trans	59.4	2.6	-170.6	-55.8	173	-177.2	173.5	0	115.3	T86 C87 L90 P91	T86-K93 CarbonylContact C-O 3.55Å; T86-K93 VanDerWaalsContact CA-O 3.26Å; T86-K93 WeakPolarHBondContact CA-O 3.39Å; T86-K93 HydrophobicContact CG2-CB 4.43Å; C87-K93 PolarHBondContact N-O 2.88Å; C87-K93 WeakPolarHBondContact O-CA 3.49Å; L90-K93 PolarHBondContact O-N 3.28Å; P91-K93 PolarHBondContact O-N 2.58Å
94	R	97.5	Very high	95.6	Very high	63 Å²	63	46.2 Å²	46.2	24%	0.238	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.6	-170.5	-69.2	168	71.3	-167.9	12.9	110	D46 S47 V48 S92 I127 S129	D46-R94 WeakPolarHBondContact O-CD 3.48Å; D46-R94 PolarHBondContact O-NH1 3.48Å; D46-R94 IonicContact OD2-NH1 3.99Å; S47-R94 WeakPolarHBondContact CA-O 3.38Å; V48-R94 PolarHBondContact N-O 2.82Å; S92-R94 WeakPolarHBondContact O-CG 3.46Å; S92-R94 PolarHBondContact O-N 2.74Å; S92-R94 PolarHBondContact OG-N 3.47Å; R94-I127 PolarHBondContact NH2-O 3.25Å; R94-S129 VanDerWaalsContact NH2-N 3.15Å
95	L	97.8	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.6	174.3	176	63.1	0	0	0	109	V48 L50 L64 T67 L68 T84 L85 C87 L90 V97	V48-L95 HydrophobicContact CB-CD1 4.16Å; V48-L95 HydrophobicContact CG1-CD1 4Å; V48-L95 CarbonylContact O-C 3.54Å; V48-L95 WeakPolarHBondContact O-CA 3.48Å; L50-L95 HydrophobicContact CB-CD1 4.2Å; L64-L95 HydrophobicContact CD1-CD1 4.34Å; L64-L95 HydrophobicContact CD2-CD1 4.2Å; L64-L95 HydrophobicContact CD2-CD2 4.32Å; T67-L95 HydrophobicContact CG2-CD2 4.39Å; L68-L95 HydrophobicContact CD2-CD2 4.13Å; L68-L95 HydrophobicContact CG-CD2 4.44Å; T84-L95 CarbonylContact C-O 3.48Å; T84-L95 WeakPolarHBondContact CA-O 3.29Å; L85-L95 HydrophobicContact CB-CB 4.37Å; L85-L95 HydrophobicContact CD1-CD2 4.39Å; L85-L95 PolarHBondContact N-O 3.28Å; L85-L95 PolarHBondContact O-N 3.4Å; C87-L95 HydrophobicContact CB-CB 3.84Å; C87-L95 HydrophobicContact CB-CD2 4.27Å; L90-L95 HydrophobicContact CD1-CB 4.27Å; L95-V97 HydrophobicContact CD1-CG2 4.29Å; L95-V97 HydrophobicContact CD2-CG2 3.9Å; L95-V97 HydrophobicContact CG-CG2 3.77Å
96	V	98.1	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.9	166.4	-180	0	0	0	0	107.5	V48 V49 L50 V82 H83 Q123 A124 I127	V48-V96 PolarHBondContact O-N 2.77Å; V49-V96 CarbonylContact C-O 3.55Å; V49-V96 WeakPolarHBondContact CA-O 3.38Å; V49-V96 HydrophobicContact CG1-CB 4.47Å; V49-V96 HydrophobicContact CG1-CG1 4.46Å; V49-V96 HydrophobicContact CG2-CB 4.2Å; L50-V96 PolarHBondContact N-O 2.84Å; V82-V96 HydrophobicContact CG2-CG1 3.58Å; H83-V96 CarbonylContact O-C 3.52Å; H83-V96 VanDerWaalsContact O-CA 3.29Å; H83-V96 WeakPolarHBondContact O-CA 3.23Å; V96-Q123 HydrophobicContact CG1-CB 4.03Å; V96-Q123 HydrophobicContact CG1-CG 3.96Å; V96-Q123 HydrophobicContact CG2-CG 4.48Å; V96-A124 HydrophobicContact CG2-CB 4.15Å; V96-I127 HydrophobicContact CG2-CD1 3.97Å
97	V	97.5	Very high	94.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.2	177.2	-168.8	0	0	0	0	107.4	L50 V52 L68 F78 V82 H83 L85 L95 F99	L50-V97 HydrophobicContact CD2-CG1 4.22Å; L50-V97 HydrophobicContact CG-CG1 4.48Å; L50-V97 CarbonylContact O-C 3.58Å; L50-V97 WeakPolarHBondContact O-CA 3.46Å; V52-V97 HydrophobicContact CG2-CG1 3.99Å; L68-V97 HydrophobicContact CD2-CG1 4.34Å; L68-V97 HydrophobicContact CD2-CG2 3.61Å; F78-V97 HydrophobicContact CZ-CB 4.49Å; F78-V97 HydrophobicContact CZ-CG2 4.36Å; V82-V97 CarbonylContact C-O 3.44Å; V82-V97 VanDerWaalsContact CA-O 3.31Å; V82-V97 WeakPolarHBondContact CA-O 3.2Å; H83-V97 PolarHBondContact N-O 2.81Å; H83-V97 PolarHBondContact O-N 3.14Å; L85-V97 HydrophobicContact CD1-CG2 4.14Å; L95-V97 HydrophobicContact CD1-CG2 4.29Å; L95-V97 HydrophobicContact CD2-CG2 3.9Å; L95-V97 HydrophobicContact CG-CG2 3.77Å; V97-F99 HydrophobicContact CB-CE2 4.25Å; V97-F99 HydrophobicContact CG1-CD2 4.3Å; V97-F99 HydrophobicContact CG1-CE1 4.29Å; V97-F99 HydrophobicContact CG1-CE2 3.59Å; V97-F99 HydrophobicContact CG1-CZ 3.6Å
98	S	98	Very high	94.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.4	178.4	-166.9	0	0	0	0	110	L50 V51 V52 A116	L50-S98 PolarHBondContact O-N 2.92Å; V51-S98 WeakPolarHBondContact CA-O 3.44Å; V52-S98 PolarHBondContact N-O 3.47Å; S98-A116 WeakPolarHBondContact CB-O 3.44Å; S98-A116 PolarHBondContact OG-O 3.38Å
99	F	97	Very high	94.7	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.053	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133	-176.1	-67.3	-86.4	0	0	0	111.7	V52 V55 F78 C79 D81 H83 V97 G101	V52-F99 HydrophobicContact CG2-CD1 3.9Å; V52-F99 HydrophobicContact CG2-CE1 3.73Å; V52-F99 HydrophobicContact CG2-CZ 4.42Å; V52-F99 CarbonylContact O-C 3.56Å; V52-F99 VanDerWaalsContact O-CA 3.24Å; V52-F99 WeakPolarHBondContact O-CA 3.23Å; V55-F99 HydrophobicContact CG2-CE1 4.12Å; V55-F99 HydrophobicContact CG2-CZ 3.98Å; F78-F99 HydrophobicContact CD1-CZ 4.2Å; F78-F99 HydrophobicContact CE1-CE2 4.39Å; F78-F99 AromaticContact CE1-CZ 3.95Å; F78-F99 HydrophobicContact CE1-CZ 3.95Å; F78-F99 HydrophobicContact CZ-CE2 4.34Å; F78-F99 HydrophobicContact CZ-CZ 4.29Å; F78-F99 WeakPolarHBondContact O-CD2 3.24Å; F78-F99 WeakPolarHBondContact O-CE2 3.32Å; F78-F99 WeakPolarHBondContact O-CZ 3.4Å; C79-F99 HydrophobicContact CB-CE1 4.48Å; D81-F99 WeakPolarHBondContact O-CD2 3.38Å; D81-F99 PolarHBondContact O-N 3.02Å; H83-F99 AromaticContact CD2-CE2 3.89Å; V97-F99 HydrophobicContact CB-CE2 4.25Å; V97-F99 HydrophobicContact CG1-CD2 4.3Å; V97-F99 HydrophobicContact CG1-CE1 4.29Å; V97-F99 HydrophobicContact CG1-CE2 3.59Å; V97-F99 HydrophobicContact CG1-CZ 3.6Å; F99-G101 VanDerWaalsContact C-N 3.25Å
100	T	95.4	Very high	94.8	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.067	22%	0.22	C	C	.	.			trans	-74.6	-21.9	166.7	55.9	0	0	0	0	111.7	V51 V52 E53 A116	V51-T100 HydrophobicContact CG1-CG2 3.89Å; V52-T100 PolarHBondContact O-N 3.4Å; V52-T100 PolarHBondContact O-OG1 2.86Å; E53-T100 WeakPolarHBondContact CA-OG1 3.25Å; E53-T100 WeakPolarHBondContact CG-OG1 3.42Å; T100-A116 HydrophobicContact CG2-CB 3.6Å
101	G	92.3	Very high	94.8	Very high	26 Å²	26	45.3 Å²	45.3	27%	0.268	23%	0.231	S	C	.	.			trans	78	169.1	-157.9	0	0	0	0	0	110.8	F99	F99-G101 VanDerWaalsContact C-N 3.25Å
102	H	92.3	Very high	95	Very high	96 Å²	96	46.3 Å²	46.3	44%	0.444	23%	0.226	S	C	.	.			trans	-61	140.9	168.9	-68	-167.6	0	0	0	109.5	T141	H102-T141 HydrophobicContact CB-CG2 4.49Å
103	L	93.2	Very high	95.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.			trans	-115.1	36.2	-176.3	-56.3	176.3	0	0	0	111.3	E53 D108 R112 L139 T141 A142 W149	E53-L103 HydrophobicContact CG-CD1 4.19Å; E53-L103 HydrophobicContact CG-CG 4.21Å; E53-L103 WeakPolarHBondContact OE2-CB 3.13Å; E53-L103 WeakPolarHBondContact OE2-CG 3.01Å; E53-L103 PolarHBondContact OE2-N 3.36Å; L103-D108 VanDerWaalsContact CA-OD2 3.29Å; L103-D108 WeakPolarHBondContact CA-OD2 3.49Å; L103-D108 HydrophobicContact CB-CB 4.42Å; L103-D108 HydrophobicContact CD2-CB 4.28Å; L103-R112 HydrophobicContact CD2-CB 3.49Å; L103-R112 VanDerWaalsContact CD2-CB 3.49Å; L103-R112 HydrophobicContact CD2-CG 3.6Å; L103-L139 HydrophobicContact CD1-CD1 4.26Å; L103-L139 HydrophobicContact CD1-CD2 3.94Å; L103-L139 HydrophobicContact CD1-CG 4.48Å; L103-T141 PolarHBondContact N-OG1 3Å; L103-A142 HydrophobicContact CB-CB 3.59Å; L103-A142 HydrophobicContact CD1-CB 4.2Å; L103-A142 VanDerWaalsContact O-CA 3.3Å; L103-A142 WeakPolarHBondContact O-CA 3.4Å; L103-W149 HydrophobicContact CB-CH2 4.24Å; L103-W149 HydrophobicContact CD1-CZ3 4.31Å
104	D	91.5	Very high	95.2	Very high	60 Å²	60	40.4 Å²	40.4	32%	0.321	20%	0.2	S	C	.	.			trans	-103.6	18.1	-178.4	63.3	-10.5	0	0	0	113.3
105	Q	91.4	Very high	95.2	Very high	98 Å²	98	41.6 Å²	41.6	46%	0.458	21%	0.208	S	C	.	.	S	Bend	trans	-106.2	151	175.8	-53.3	179.2	40.3	0	0	112.4	I107 D108	Q105-I107 HydrophobicContact CB-CG1 4.08Å; Q105-I107 PolarHBondContact O-N 3.24Å; Q105-D108 VanDerWaalsContact CB-OD2 3.29Å; Q105-D108 WeakPolarHBondContact CB-OD2 3.12Å; Q105-D108 PolarHBondContact N-OD2 2.82Å; Q105-D108 WeakPolarHBondContact O-CB 2.81Å; Q105-D108 PolarHBondContact O-N 3.26Å
106	D	89.4	Confident	95.2	Very high	157 Å²	157	41.7 Å²	41.7	84%	0.84	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.7	-179.1	-43.2	6.6	0	0	0	113.6
107	I	92	Very high	95.2	Very high	117 Å²	117	41.7 Å²	41.7	60%	0.6	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5	-177.2	62.9	165.9	0	0	0	113.3	Q105	Q105-I107 HydrophobicContact CB-CG1 4.08Å; Q105-I107 PolarHBondContact O-N 3.24Å
108	D	94.5	Very high	95.3	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.032	22%	0.217	C	C	.	.			trans	-79.2	143.9	-177.1	-66.5	-45.1	0	0	0	111.9	L103 Q105 R112 W149	L103-D108 VanDerWaalsContact CA-OD2 3.29Å; L103-D108 WeakPolarHBondContact CA-OD2 3.49Å; L103-D108 HydrophobicContact CB-CB 4.42Å; L103-D108 HydrophobicContact CD2-CB 4.28Å; Q105-D108 VanDerWaalsContact CB-OD2 3.29Å; Q105-D108 WeakPolarHBondContact CB-OD2 3.12Å; Q105-D108 PolarHBondContact N-OD2 2.82Å; Q105-D108 WeakPolarHBondContact O-CB 2.81Å; Q105-D108 PolarHBondContact O-N 3.26Å; D108-R112 IonicContact OD1-CZ 3.47Å; D108-R112 VanDerWaalsContact OD1-CZ 3.28Å; D108-R112 IonicContact OD1-NE 2.64Å; D108-R112 PolarHBondContact OD1-NE 2.88Å; D108-R112 IonicContact OD1-NH2 3.92Å; D108-R112 PolarHBondContact OD1-NH2 3.4Å; D108-W149 HydrophobicContact CB-CH2 4.43Å; D108-W149 HydrophobicContact CB-CZ2 4.41Å; D108-W149 WeakPolarHBondContact O-CZ2 3.45Å
109	D	95.5	Very high	95.3	Very high	22 Å²	22	48 Å²	48	12%	0.118	24%	0.239	C	C	.	.			trans	-152.3	177.7	-177.5	66.5	58.8	0	0	0	112.1	R111 R112 M464	D109-R111 PolarHBondContact O-N 3.17Å; D109-R111 WeakPolarHBondContact OD1-CA 3.17Å; D109-R111 WeakPolarHBondContact OD1-CB 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.41Å; D109-R111 IonicContact OD1-CZ 3.46Å; D109-R111 PolarHBondContact OD1-N 3.09Å; D109-R111 IonicContact OD1-NE 3.22Å; D109-R111 PolarHBondContact OD1-NE 2.97Å; D109-R111 IonicContact OD2-CZ 3.56Å; D109-R111 VanDerWaalsContact OD2-CZ 3.25Å; D109-R111 IonicContact OD2-NE 3.56Å; D109-R111 PolarHBondContact OD2-NE 2.86Å; D109-R111 IonicContact OD2-NH2 2.7Å; D109-R111 PolarHBondContact OD2-NH2 2.8Å; D109-R112 WeakPolarHBondContact O-CB 3.32Å; D109-R112 WeakPolarHBondContact O-CG 3.23Å; D109-R112 PolarHBondContact O-N 3.07Å; D109-M464 HydrophobicContact CB-CE 3.68Å; D109-M464 WeakPolarHBondContact OD1-CE 3.48Å; D109-M464 WeakPolarHBondContact OD2-CE 3.43Å
110	A	96.1	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-27.5	-178	0	0	0	0	0	114.3	R112 I113 T114 W149 L460	A110-R112 PolarHBondContact O-N 3.17Å; A110-I113 WeakPolarHBondContact O-CB 3.28Å; A110-I113 PolarHBondContact O-N 2.86Å; A110-I113 VanDerWaalsContact O-N 3.13Å; A110-T114 PolarHBondContact O-N 3.27Å; A110-T114 PolarHBondContact O-OG1 3.35Å; A110-W149 HydrophobicContact CB-CB 4.04Å; A110-L460 VanDerWaalsContact CB-O 3.29Å; A110-L460 WeakPolarHBondContact CB-O 3.25Å
111	R	97.2	Very high	95.5	Very high	65 Å²	65	46.9 Å²	46.9	25%	0.245	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-30.4	-179.8	-60.8	174.6	-70.1	179.2	0.2	111.6	D109 I113 T114 E115 M464	D109-R111 PolarHBondContact O-N 3.17Å; D109-R111 WeakPolarHBondContact OD1-CA 3.17Å; D109-R111 WeakPolarHBondContact OD1-CB 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.41Å; D109-R111 IonicContact OD1-CZ 3.46Å; D109-R111 PolarHBondContact OD1-N 3.09Å; D109-R111 IonicContact OD1-NE 3.22Å; D109-R111 PolarHBondContact OD1-NE 2.97Å; D109-R111 IonicContact OD2-CZ 3.56Å; D109-R111 VanDerWaalsContact OD2-CZ 3.25Å; D109-R111 IonicContact OD2-NE 3.56Å; D109-R111 PolarHBondContact OD2-NE 2.86Å; D109-R111 IonicContact OD2-NH2 2.7Å; D109-R111 PolarHBondContact OD2-NH2 2.8Å; R111-I113 PolarHBondContact O-N 3.07Å; R111-T114 PolarHBondContact O-N 2.95Å; R111-E115 VanDerWaalsContact O-CB 3.23Å; R111-E115 WeakPolarHBondContact O-CB 3.21Å; R111-E115 WeakPolarHBondContact O-CG 3.14Å; R111-E115 PolarHBondContact O-N 2.88Å; R111-M464 HydrophobicContact CG-CE 4.1Å
112	R	96.8	Very high	95.8	Very high	83 Å²	83	48.1 Å²	48.1	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-55.7	-41	175.3	-63.8	-69.8	-159	176.3	4.8	112	L103 D108 D109 A110 A116	L103-R112 HydrophobicContact CD2-CB 3.49Å; L103-R112 VanDerWaalsContact CD2-CB 3.49Å; L103-R112 HydrophobicContact CD2-CG 3.6Å; D108-R112 IonicContact OD1-CZ 3.47Å; D108-R112 VanDerWaalsContact OD1-CZ 3.28Å; D108-R112 IonicContact OD1-NE 2.64Å; D108-R112 PolarHBondContact OD1-NE 2.88Å; D108-R112 IonicContact OD1-NH2 3.92Å; D108-R112 PolarHBondContact OD1-NH2 3.4Å; D109-R112 WeakPolarHBondContact O-CB 3.32Å; D109-R112 WeakPolarHBondContact O-CG 3.23Å; D109-R112 PolarHBondContact O-N 3.07Å; A110-R112 PolarHBondContact O-N 3.17Å; R112-A116 VanDerWaalsContact O-CB 3.32Å; R112-A116 WeakPolarHBondContact O-CB 3.42Å; R112-A116 PolarHBondContact O-N 2.83Å; R112-A116 VanDerWaalsContact O-N 3.1Å
113	I	97.5	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72	-47.7	178.7	-56.7	168.6	0	0	0	110.3	A110 R111 E115 A116 S117 L136 L139 W149 A158	A110-I113 WeakPolarHBondContact O-CB 3.28Å; A110-I113 PolarHBondContact O-N 2.86Å; A110-I113 VanDerWaalsContact O-N 3.13Å; R111-I113 PolarHBondContact O-N 3.07Å; I113-E115 PolarHBondContact O-N 3.39Å; I113-A116 PolarHBondContact O-N 3.09Å; I113-S117 WeakPolarHBondContact O-CB 3.46Å; I113-S117 PolarHBondContact O-N 3.27Å; I113-S117 PolarHBondContact O-OG 3.33Å; I113-L136 HydrophobicContact CG2-CD1 4.15Å; I113-L136 HydrophobicContact CG2-CD2 4.49Å; I113-L139 HydrophobicContact CD1-CD1 3.51Å; I113-L139 HydrophobicContact CG1-CD1 4.02Å; I113-W149 HydrophobicContact CD1-CE3 4.46Å; I113-A158 HydrophobicContact CB-CB 4.49Å; I113-A158 HydrophobicContact CG2-CB 4.4Å
114	T	98	Very high	96.4	Very high	32 Å²	32	45.4 Å²	45.4	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-45.4	178.8	-55.6	0	0	0	0	111.3	A110 R111 S117 T118 A158 G162	A110-T114 PolarHBondContact O-N 3.27Å; A110-T114 PolarHBondContact O-OG1 3.35Å; R111-T114 PolarHBondContact O-N 2.95Å; T114-S117 PolarHBondContact O-N 3.27Å; T114-T118 WeakPolarHBondContact O-CB 3.22Å; T114-T118 PolarHBondContact O-N 2.96Å; T114-T118 PolarHBondContact O-OG1 3.26Å; T114-A158 PolarHBondContact OG1-O 3.02Å; T114-G162 WeakPolarHBondContact O-CA 3.1Å
115	E	97.7	Very high	96.7	Very high	89 Å²	89	44.1 Å²	44.1	42%	0.416	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-45.5	178.9	-73.6	172.7	-170.4	0	0	111.9	R111 I113 S117 T118 K119	R111-E115 VanDerWaalsContact O-CB 3.23Å; R111-E115 WeakPolarHBondContact O-CB 3.21Å; R111-E115 WeakPolarHBondContact O-CG 3.14Å; R111-E115 PolarHBondContact O-N 2.88Å; I113-E115 PolarHBondContact O-N 3.39Å; E115-S117 VanDerWaalsContact C-N 3.35Å; E115-S117 PolarHBondContact O-N 2.79Å; E115-T118 PolarHBondContact O-N 3.42Å; E115-K119 WeakPolarHBondContact O-CB 3.23Å; E115-K119 VanDerWaalsContact O-CG 3.29Å; E115-K119 WeakPolarHBondContact O-CG 3.4Å; E115-K119 PolarHBondContact O-N 3.13Å
116	A	98.3	Very high	97	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-42.7	176.5	0	0	0	0	0	111.3	V51 S98 T100 R112 I113 T118 K119 G120	V51-A116 HydrophobicContact CG1-CB 3.76Å; S98-A116 WeakPolarHBondContact CB-O 3.44Å; S98-A116 PolarHBondContact OG-O 3.38Å; T100-A116 HydrophobicContact CG2-CB 3.6Å; R112-A116 VanDerWaalsContact O-CB 3.32Å; R112-A116 WeakPolarHBondContact O-CB 3.42Å; R112-A116 PolarHBondContact O-N 2.83Å; R112-A116 VanDerWaalsContact O-N 3.1Å; I113-A116 PolarHBondContact O-N 3.09Å; A116-T118 VanDerWaalsContact C-N 3.35Å; A116-T118 PolarHBondContact O-N 3.45Å; A116-K119 PolarHBondContact O-N 3.22Å; A116-G120 PolarHBondContact O-N 2.84Å
117	S	98.6	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-40.2	176.7	-53.8	0	0	0	0	111.7	I113 T114 E115 G120 I121 S159	I113-S117 WeakPolarHBondContact O-CB 3.46Å; I113-S117 PolarHBondContact O-N 3.27Å; I113-S117 PolarHBondContact O-OG 3.33Å; T114-S117 PolarHBondContact O-N 3.27Å; E115-S117 VanDerWaalsContact C-N 3.35Å; E115-S117 PolarHBondContact O-N 2.79Å; S117-G120 PolarHBondContact O-N 3.23Å; S117-I121 WeakPolarHBondContact O-CG1 3.36Å; S117-I121 PolarHBondContact O-N 2.81Å; S117-S159 WeakPolarHBondContact CB-O 3.38Å; S117-S159 VanDerWaalsContact OG-CA 3.3Å; S117-S159 WeakPolarHBondContact OG-CA 3.32Å; S117-S159 WeakPolarHBondContact OG-CB 3.43Å; S117-S159 PolarHBondContact OG-O 3.13Å; S117-S159 PolarHBondContact OG-OG 3.42Å
118	T	98.4	Very high	97.5	Very high	29 Å²	29	39.2 Å²	39.2	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-47.2	175.1	-57.2	0	0	0	0	111.2	T114 E115 A116 S122 G162 A166	T114-T118 WeakPolarHBondContact O-CB 3.22Å; T114-T118 PolarHBondContact O-N 2.96Å; T114-T118 PolarHBondContact O-OG1 3.26Å; E115-T118 PolarHBondContact O-N 3.42Å; A116-T118 VanDerWaalsContact C-N 3.35Å; A116-T118 PolarHBondContact O-N 3.45Å; T118-S122 WeakPolarHBondContact O-CB 3.37Å; T118-S122 PolarHBondContact O-N 3.36Å; T118-S122 PolarHBondContact O-OG 3.42Å; T118-G162 WeakPolarHBondContact CA-O 3.49Å; T118-G162 WeakPolarHBondContact OG1-CA 3.09Å; T118-G162 PolarHBondContact OG1-O 2.78Å; T118-A166 HydrophobicContact CG2-CB 4.1Å; T118-A166 WeakPolarHBondContact O-CB 3.04Å
119	K	98.4	Very high	97.6	Very high	102 Å²	102	39 Å²	39	44%	0.443	20%	0.196	S	C	.	.	H	α-helix	trans	-64	-46.8	178.5	-73.6	173	-174.7	174.3	0	111.7	E115 A116 S122 Q123	E115-K119 WeakPolarHBondContact O-CB 3.23Å; E115-K119 VanDerWaalsContact O-CG 3.29Å; E115-K119 WeakPolarHBondContact O-CG 3.4Å; E115-K119 PolarHBondContact O-N 3.13Å; A116-K119 PolarHBondContact O-N 3.22Å; K119-S122 PolarHBondContact O-N 2.95Å; K119-Q123 WeakPolarHBondContact O-CB 3.26Å; K119-Q123 PolarHBondContact O-N 3.46Å
120	G	98.7	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-51	178.8	0	0	0	0	0	112.7	A116 S117 Q123 A124	A116-G120 PolarHBondContact O-N 2.84Å; S117-G120 PolarHBondContact O-N 3.23Å; G120-Q123 PolarHBondContact O-N 3.09Å; G120-A124 PolarHBondContact O-N 2.78Å
121	I	98.7	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-41.4	178.4	-66.1	-70.6	0	0	0	111.3	V49 S117 Q123 A124 I125 P132 L134 A163 A166 L167 L196	V49-I121 HydrophobicContact CB-CD1 4.19Å; V49-I121 HydrophobicContact CG1-CD1 4.3Å; V49-I121 HydrophobicContact CG1-CG1 4.5Å; V49-I121 HydrophobicContact CG2-CD1 3.96Å; S117-I121 WeakPolarHBondContact O-CG1 3.36Å; S117-I121 PolarHBondContact O-N 2.81Å; I121-Q123 VanDerWaalsContact C-N 3.27Å; I121-Q123 PolarHBondContact O-N 3.26Å; I121-A124 WeakPolarHBondContact O-CB 3.34Å; I121-A124 PolarHBondContact O-N 3.32Å; I121-A124 VanDerWaalsContact O-N 3.13Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 WeakPolarHBondContact O-CG1 3.23Å; I121-I125 PolarHBondContact O-N 2.97Å; I121-P132 HydrophobicContact CD1-CB 4Å; I121-P132 HydrophobicContact CD1-CG 4.17Å; I121-L134 HydrophobicContact CD1-CB 4.4Å; I121-L134 HydrophobicContact CD1-CD1 4.29Å; I121-L134 HydrophobicContact CG1-CD1 4.34Å; I121-A163 HydrophobicContact CD1-CB 4.3Å; I121-A163 HydrophobicContact CG1-CB 3.62Å; I121-A166 HydrophobicContact CB-CB 3.9Å; I121-A166 HydrophobicContact CG2-CB 3.73Å; I121-L167 HydrophobicContact CG2-CD2 3.81Å; I121-L167 HydrophobicContact CG2-CG 3.9Å; I121-L196 HydrophobicContact CD1-CD1 3.9Å
122	S	98.2	Very high	97.9	Very high	53 Å²	53	42.5 Å²	42.5	37%	0.371	21%	0.21	S	C	.	.	H	α-helix	trans	-58.1	-41.5	175.7	-63.3	0	0	0	0	111.8	T118 K119 I125 K126 A166	T118-S122 WeakPolarHBondContact O-CB 3.37Å; T118-S122 PolarHBondContact O-N 3.36Å; T118-S122 PolarHBondContact O-OG 3.42Å; K119-S122 PolarHBondContact O-N 2.95Å; S122-I125 PolarHBondContact O-N 2.71Å; S122-K126 WeakPolarHBondContact O-CB 3.29Å; S122-K126 PolarHBondContact O-N 2.73Å; S122-A166 WeakPolarHBondContact OG-CB 3.33Å
123	Q	98.4	Very high	97.9	Very high	39 Å²	39	38.5 Å²	38.5	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-42.7	175.6	179.7	61.6	13.7	0	0	111.5	V82 T84 V96 K119 G120 I121 I125 K126 I127	V82-Q123 HydrophobicContact CG1-CB 4.26Å; V82-Q123 HydrophobicContact CG1-CG 4.41Å; V82-Q123 HydrophobicContact CG2-CB 3.71Å; V82-Q123 HydrophobicContact CG2-CG 3.89Å; T84-Q123 PolarHBondContact OG1-NE2 3.22Å; V96-Q123 HydrophobicContact CG1-CB 4.03Å; V96-Q123 HydrophobicContact CG1-CG 3.96Å; V96-Q123 HydrophobicContact CG2-CG 4.48Å; K119-Q123 WeakPolarHBondContact O-CB 3.26Å; K119-Q123 PolarHBondContact O-N 3.46Å; G120-Q123 PolarHBondContact O-N 3.09Å; I121-Q123 VanDerWaalsContact C-N 3.27Å; I121-Q123 PolarHBondContact O-N 3.26Å; Q123-I125 PolarHBondContact O-N 3.08Å; Q123-K126 WeakPolarHBondContact O-CB 3.42Å; Q123-K126 PolarHBondContact O-N 3.49Å; Q123-I127 WeakPolarHBondContact O-CG1 3.35Å; Q123-I127 PolarHBondContact O-N 2.8Å
124	A	98.5	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-46.6	175.2	0	0	0	0	0	112	V49 V96 G120 I121 K126 I127 G128 S129 P132	V49-A124 HydrophobicContact CG2-CB 3.65Å; V96-A124 HydrophobicContact CG2-CB 4.15Å; G120-A124 PolarHBondContact O-N 2.78Å; I121-A124 WeakPolarHBondContact O-CB 3.34Å; I121-A124 PolarHBondContact O-N 3.32Å; I121-A124 VanDerWaalsContact O-N 3.13Å; A124-K126 VanDerWaalsContact C-N 3.35Å; A124-K126 PolarHBondContact O-N 3.33Å; A124-I127 WeakPolarHBondContact O-CG1 3.47Å; A124-I127 PolarHBondContact O-N 2.83Å; A124-G128 PolarHBondContact O-N 2.9Å; A124-S129 WeakPolarHBondContact O-CB 3.5Å; A124-S129 PolarHBondContact O-N 3.16Å; A124-P132 HydrophobicContact CB-CB 4.31Å
125	I	98	Very high	98	Very high	32 Å²	32	37 Å²	37	16%	0.164	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-42	175.5	-60.5	-50	0	0	0	111.1	I121 S122 Q123 I127 G128 S129 L167 K192 A193	I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 WeakPolarHBondContact O-CG1 3.23Å; I121-I125 PolarHBondContact O-N 2.97Å; S122-I125 PolarHBondContact O-N 2.71Å; Q123-I125 PolarHBondContact O-N 3.08Å; I125-I127 VanDerWaalsContact C-N 3.29Å; I125-I127 PolarHBondContact O-N 3.3Å; I125-G128 WeakPolarHBondContact O-CA 3.47Å; I125-G128 PolarHBondContact O-N 3.24Å; I125-S129 VanDerWaalsContact CD1-O 3.31Å; I125-S129 WeakPolarHBondContact CD1-O 3.42Å; I125-L167 HydrophobicContact CD1-CD2 3.85Å; I125-L167 HydrophobicContact CG1-CD2 3.96Å; I125-K192 HydrophobicContact CD1-CB 4.44Å; I125-K192 HydrophobicContact CG1-CB 4.34Å; I125-K192 HydrophobicContact CG2-CB 4.12Å; I125-A193 HydrophobicContact CD1-CB 3.98Å
126	K	97.3	Very high	97.9	Very high	168 Å²	168	32.8 Å²	32.8	73%	0.73	17%	0.166	S	C	*	.	H	α-helix	trans	-59.8	-37.5	179.5	-178.4	-178.5	175.2	-174.2	0	112.6	S122 Q123 A124 G128	S122-K126 WeakPolarHBondContact O-CB 3.29Å; S122-K126 PolarHBondContact O-N 2.73Å; Q123-K126 WeakPolarHBondContact O-CB 3.42Å; Q123-K126 PolarHBondContact O-N 3.49Å; A124-K126 VanDerWaalsContact C-N 3.35Å; A124-K126 PolarHBondContact O-N 3.33Å; K126-G128 PolarHBondContact O-N 2.73Å
127	I	96.7	Very high	97.7	Very high	58 Å²	58	32.7 Å²	32.7	30%	0.297	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.5	175.7	60.8	162.6	0	0	0	112.9	T84 R94 V96 Q123 A124 I125	T84-I127 HydrophobicContact CG2-CD1 3.68Å; T84-I127 HydrophobicContact CG2-CG2 4.38Å; R94-I127 PolarHBondContact NH2-O 3.25Å; V96-I127 HydrophobicContact CG2-CD1 3.97Å; Q123-I127 WeakPolarHBondContact O-CG1 3.35Å; Q123-I127 PolarHBondContact O-N 2.8Å; A124-I127 WeakPolarHBondContact O-CG1 3.47Å; A124-I127 PolarHBondContact O-N 2.83Å; I125-I127 VanDerWaalsContact C-N 3.29Å; I125-I127 PolarHBondContact O-N 3.3Å
128	G	95.9	Very high	97.5	Very high	44 Å²	44	33.2 Å²	33.2	45%	0.454	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	19.2	175.7	0	0	0	0	0	115.1	A124 I125 K126	A124-G128 PolarHBondContact O-N 2.9Å; I125-G128 WeakPolarHBondContact O-CA 3.47Å; I125-G128 PolarHBondContact O-N 3.24Å; K126-G128 PolarHBondContact O-N 2.73Å
129	S	97.6	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.			trans	-68.6	136.4	171.4	175.7	0	0	0	0	110.3	D46 S47 R94 A124 I125 P132	D46-S129 WeakPolarHBondContact OD1-CB 3.45Å; D46-S129 PolarHBondContact OD1-OG 3.42Å; D46-S129 WeakPolarHBondContact OD2-CA 3.49Å; S47-S129 WeakPolarHBondContact OG-CB 3.44Å; S47-S129 PolarHBondContact OG-OG 3.25Å; R94-S129 VanDerWaalsContact NH2-N 3.15Å; A124-S129 WeakPolarHBondContact O-CB 3.5Å; A124-S129 PolarHBondContact O-N 3.16Å; I125-S129 VanDerWaalsContact CD1-O 3.31Å; I125-S129 WeakPolarHBondContact CD1-O 3.42Å; S129-P132 WeakPolarHBondContact OG-CD 3.21Å
130	K	96.9	Very high	96.8	Very high	81 Å²	81	31.8 Å²	31.8	35%	0.352	16%	0.16	S	C	.	.	S	Bend	trans	-112.7	-15.4	173	-66.3	-62.6	179.7	-176.8	0	112.8	D46 P132 K192 A193 E194 V195	D46-K130 PolarHBondContact OD1-N 3.14Å; D46-K130 PolarHBondContact OD2-N 3.27Å; K130-P132 VanDerWaalsContact C-CD 3.5Å; K130-K192 PolarHBondContact NZ-O 3.09Å; K130-A193 CarbonylContact O-C 3.54Å; K130-A193 WeakPolarHBondContact O-CA 3.22Å; K130-A193 WeakPolarHBondContact O-CB 3.35Å; K130-E194 HydrophobicContact CB-CG 4.29Å; K130-E194 PolarHBondContact O-N 3.05Å; K130-V195 PolarHBondContact O-N 2.92Å
131	R	98.3	Very high	96.4	Very high	80 Å²	80	32.7 Å²	32.7	30%	0.302	17%	0.166	S	C	.	.	S	Bend	trans	-136.3	61.3	-176.3	-58.3	176.1	66.4	160.8	-7.6	109.7	D44 Y45 D46 E194 V195	D44-R131 PolarHBondContact O-NE 3.5Å; D44-R131 PolarHBondContact O-NH2 2.93Å; D44-R131 IonicContact OD1-NH2 2.75Å; D44-R131 PolarHBondContact OD1-NH2 2.97Å; Y45-R131 CarbonylContact C-O 3.52Å; Y45-R131 WeakPolarHBondContact CA-O 3.25Å; Y45-R131 VanDerWaalsContact CB-O 3.32Å; Y45-R131 WeakPolarHBondContact CB-O 3.44Å; D46-R131 PolarHBondContact N-O 2.85Å; D46-R131 VanDerWaalsContact OD1-C 3.22Å; D46-R131 WeakPolarHBondContact OD1-CA 3.41Å; D46-R131 PolarHBondContact OD1-N 3.18Å; R131-E194 HydrophobicContact CG-CB 4.33Å; R131-V195 WeakPolarHBondContact CA-O 3.47Å; R131-V195 HydrophobicContact CB-CB 4.35Å; R131-V195 HydrophobicContact CG-CB 4.16Å; R131-V195 HydrophobicContact CG-CG2 4.3Å
132	P	98.5	Very high	95.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.6	178.5	28.3	-36.6	0	0	0	112.1	V49 I121 A124 S129 K130 V195 L196 G197	V49-P132 HydrophobicContact CG2-CB 4.09Å; I121-P132 HydrophobicContact CD1-CB 4Å; I121-P132 HydrophobicContact CD1-CG 4.17Å; A124-P132 HydrophobicContact CB-CB 4.31Å; S129-P132 WeakPolarHBondContact OG-CD 3.21Å; K130-P132 VanDerWaalsContact C-CD 3.5Å; P132-V195 VanDerWaalsContact CD-O 3.29Å; P132-V195 WeakPolarHBondContact CD-O 3.49Å; P132-L196 HydrophobicContact CG-CD1 4.28Å; P132-G197 PolarHBondContact O-N 3.12Å
133	L	98.6	Very high	95	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.3	167.9	175.5	57.4	0	0	0	109.8	T37 L40 Y45 S47 V48 V49 F199	T37-L133 HydrophobicContact CG2-CD1 3.38Å; T37-L133 HydrophobicContact CG2-CD2 4.16Å; T37-L133 HydrophobicContact CG2-CG 4.44Å; L40-L133 HydrophobicContact CD1-CD2 4.2Å; Y45-L133 HydrophobicContact CD1-CB 3.93Å; Y45-L133 HydrophobicContact CD2-CB 4.15Å; Y45-L133 HydrophobicContact CD2-CD1 4.49Å; Y45-L133 HydrophobicContact CD2-CD2 4.05Å; Y45-L133 HydrophobicContact CD2-CG 4.47Å; Y45-L133 HydrophobicContact CE1-CD1 4.48Å; Y45-L133 HydrophobicContact CE2-CD1 4.3Å; Y45-L133 HydrophobicContact CE2-CD2 4.43Å; Y45-L133 HydrophobicContact CG-CB 3.71Å; Y45-L133 HydrophobicContact CG-CD2 4.45Å; Y45-L133 HydrophobicContact CG-CG 4.5Å; S47-L133 PolarHBondContact O-N 3.4Å; V48-L133 CarbonylContact C-O 3.51Å; V48-L133 HydrophobicContact CG2-CB 4.43Å; V48-L133 HydrophobicContact CG2-CD2 4.37Å; V49-L133 PolarHBondContact N-O 3.47Å; L133-F199 HydrophobicContact CD1-CB 4.07Å; L133-F199 HydrophobicContact CD2-CD2 4.41Å; L133-F199 HydrophobicContact CG-CB 4.45Å
134	L	98.6	Very high	94.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.5	177.6	-177.5	66.2	0	0	0	111.6	V49 V51 I121 A163 L196 G197 W198 F199	V49-L134 HydrophobicContact CB-CD1 4.28Å; V49-L134 HydrophobicContact CG1-CD1 4.08Å; V51-L134 HydrophobicContact CG2-CD1 3.93Å; I121-L134 HydrophobicContact CD1-CB 4.4Å; I121-L134 HydrophobicContact CD1-CD1 4.29Å; I121-L134 HydrophobicContact CG1-CD1 4.34Å; L134-A163 HydrophobicContact CD2-CB 3.49Å; L134-A163 VanDerWaalsContact CD2-CB 3.49Å; L134-L196 HydrophobicContact CB-CD1 4.29Å; L134-G197 WeakPolarHBondContact CB-O 3.45Å; L134-G197 PolarHBondContact N-O 3.06Å; L134-W198 HydrophobicContact CB-CE3 4.27Å; L134-W198 HydrophobicContact CD2-CE3 3.82Å; L134-W198 HydrophobicContact CD2-CZ3 3.71Å; L134-W198 HydrophobicContact CG-CE3 4.05Å; L134-W198 HydrophobicContact CG-CZ3 3.95Å; L134-F199 WeakPolarHBondContact O-CB 3.47Å; L134-F199 PolarHBondContact O-N 3.33Å
135	L	97.1	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	122.4	178.8	169.5	52.6	0	0	0	110.1	L40 V49 L50 V51 F61 L64 F199 T202	L40-L135 HydrophobicContact CD1-CD2 4.08Å; V49-L135 PolarHBondContact O-N 2.78Å; L50-L135 HydrophobicContact CD1-CB 4.42Å; L50-L135 HydrophobicContact CD1-CD2 3.68Å; L50-L135 HydrophobicContact CD1-CG 3.7Å; V51-L135 PolarHBondContact N-O 3.48Å; F61-L135 HydrophobicContact CD1-CD2 4.09Å; F61-L135 HydrophobicContact CD2-CD2 3.88Å; F61-L135 HydrophobicContact CE1-CD1 3.92Å; F61-L135 HydrophobicContact CE1-CD2 4.07Å; F61-L135 HydrophobicContact CE2-CD1 4.18Å; F61-L135 HydrophobicContact CE2-CD2 3.86Å; F61-L135 HydrophobicContact CE2-CG 4.2Å; F61-L135 HydrophobicContact CG-CD2 4Å; F61-L135 HydrophobicContact CZ-CD1 3.61Å; F61-L135 HydrophobicContact CZ-CD2 3.96Å; F61-L135 HydrophobicContact CZ-CG 4.13Å; L64-L135 HydrophobicContact CD1-CD2 4.36Å; L135-F199 HydrophobicContact CB-CB 4.2Å; L135-F199 HydrophobicContact CD1-CB 4.04Å; L135-F199 HydrophobicContact CD1-CD1 3.3Å; L135-F199 HydrophobicContact CD1-CE1 4.04Å; L135-F199 HydrophobicContact CD1-CG 4.02Å; L135-F199 HydrophobicContact CD2-CD1 4.34Å; L135-F199 HydrophobicContact CG-CD1 4.31Å; L135-T202 HydrophobicContact CD1-CG2 3.45Å; L135-T202 VanDerWaalsContact CD1-CG2 3.45Å
136	L	96.7	Very high	92.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.3	167.8	-176.5	64.2	0	0	0	110.1	V51 I113 L139 W198 T202 Y204	V51-L136 HydrophobicContact CB-CD1 4.03Å; V51-L136 HydrophobicContact CG1-CD1 3.82Å; I113-L136 HydrophobicContact CG2-CD1 4.15Å; I113-L136 HydrophobicContact CG2-CD2 4.49Å; L136-L139 HydrophobicContact CD1-CD2 4.46Å; L136-W198 HydrophobicContact CB-CH2 3.94Å; L136-W198 HydrophobicContact CB-CZ3 4.49Å; L136-T202 WeakPolarHBondContact O-CG2 3.3Å; L136-Y204 HydrophobicContact CB-CE2 4.19Å; L136-Y204 HydrophobicContact CD2-CE2 3.73Å; L136-Y204 HydrophobicContact CG-CE2 3.77Å
137	G	94.9	Very high	92.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-79.9	172.3	175.2	0	0	0	0	0	113.3	V51 L139 Y204	V51-G137 PolarHBondContact O-N 3.27Å; G137-L139 PolarHBondContact O-N 2.83Å; G137-Y204 PolarHBondContact O-OH 2.96Å; G137-Y204 VanDerWaalsContact O-OH 3.06Å
138	P	93	Very high	91.9	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.071	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-51.4	123	172	-22	31.6	0	0	0	114.6	D57 K140 H203	D57-P138 HydrophobicContact CB-CB 4.34Å; D57-P138 WeakPolarHBondContact CB-O 3.45Å; D57-P138 VanDerWaalsContact CG-O 3.3Å; D57-P138 VanDerWaalsContact O-CD 3.28Å; D57-P138 WeakPolarHBondContact O-CD 3.37Å; P138-K140 VanDerWaalsContact C-N 3.33Å; P138-K140 HydrophobicContact CB-CG 3.82Å; P138-K140 PolarHBondContact O-N 2.69Å; P138-H203 WeakPolarHBondContact CA-CE1 3.32Å
139	L	92.7	Very high	91.8	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	21%	0.208	C	C	.	.			trans	-88.5	70.8	166.5	-54.9	176.4	0	0	0	109.1	E53 L103 I113 L136 G137 A142 K143 L150 Y204	E53-L139 HydrophobicContact CG-CD2 3.67Å; E53-L139 WeakPolarHBondContact OE1-CA 3.39Å; L103-L139 HydrophobicContact CD1-CD1 4.26Å; L103-L139 HydrophobicContact CD1-CD2 3.94Å; L103-L139 HydrophobicContact CD1-CG 4.48Å; I113-L139 HydrophobicContact CD1-CD1 3.51Å; I113-L139 HydrophobicContact CG1-CD1 4.02Å; L136-L139 HydrophobicContact CD1-CD2 4.46Å; G137-L139 PolarHBondContact O-N 2.83Å; L139-A142 HydrophobicContact CB-CB 4.14Å; L139-K143 WeakPolarHBondContact O-CG 3.37Å; L139-L150 HydrophobicContact CB-CD2 4.41Å; L139-L150 HydrophobicContact CD1-CD2 4.03Å; L139-Y204 WeakPolarHBondContact CG-OH 3.35Å
140	K	90.6	Very high	91.6	Very high	97 Å²	97	46 Å²	46	42%	0.422	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-39.6	-176.1	-62.9	-168.6	-161.5	121.8	0	113.6	E53 S56 D57 P138	E53-K140 PolarHBondContact OE1-N 3.44Å; S56-K140 PolarHBondContact O-NZ 3.41Å; D57-K140 WeakPolarHBondContact OD1-CD 3.47Å; D57-K140 VanDerWaalsContact OD1-CE 3.23Å; D57-K140 WeakPolarHBondContact OD1-CE 3.09Å; D57-K140 VanDerWaalsContact OD1-CG 3.31Å; D57-K140 WeakPolarHBondContact OD1-CG 3.24Å; D57-K140 IonicContact OD1-NZ 3.01Å; D57-K140 PolarHBondContact OD1-NZ 2.73Å; P138-K140 VanDerWaalsContact C-N 3.33Å; P138-K140 HydrophobicContact CB-CG 3.82Å; P138-K140 PolarHBondContact O-N 2.69Å
141	T	90.2	Very high	91.5	Very high	20 Å²	20	43.3 Å²	43.3	12%	0.123	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-41	-176.3	78.2	0	0	0	0	110.2	E53 H102 L103 K143 K144	E53-T141 VanDerWaalsContact CD-OG1 3.26Å; E53-T141 PolarHBondContact OE1-N 3.43Å; E53-T141 PolarHBondContact OE2-OG1 3.47Å; H102-T141 HydrophobicContact CB-CG2 4.49Å; L103-T141 PolarHBondContact N-OG1 3Å; T141-K143 VanDerWaalsContact C-N 3.32Å; T141-K143 PolarHBondContact O-N 3.4Å; T141-K144 WeakPolarHBondContact O-CG 3.18Å; T141-K144 PolarHBondContact O-N 3.22Å
142	A	85.4	Confident	91.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.7	-37.5	177.2	0	0	0	0	0	114.6	E53 L103 L139 K144 L145 W149 L150	E53-A142 PolarHBondContact OE2-N 2.78Å; L103-A142 HydrophobicContact CB-CB 3.59Å; L103-A142 HydrophobicContact CD1-CB 4.2Å; L103-A142 VanDerWaalsContact O-CA 3.3Å; L103-A142 WeakPolarHBondContact O-CA 3.4Å; L139-A142 HydrophobicContact CB-CB 4.14Å; A142-K144 PolarHBondContact O-N 2.71Å; A142-L145 PolarHBondContact O-N 3.41Å; A142-W149 HydrophobicContact CB-CH2 4.37Å; A142-L150 VanDerWaalsContact C-CD1 3.41Å; A142-L150 HydrophobicContact CB-CD1 3.57Å; A142-L150 HydrophobicContact CB-CD2 3.37Å; A142-L150 HydrophobicContact CB-CG 4.08Å; A142-L150 WeakPolarHBondContact O-CD1 3.26Å
143	K	81	Confident	91.3	Very high	117 Å²	117	41.7 Å²	41.7	51%	0.509	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-56.9	-20	-176.9	-80.1	177.5	-173.7	179.9	0	113.9	L139 T141 L145	L139-K143 WeakPolarHBondContact O-CG 3.37Å; T141-K143 VanDerWaalsContact C-N 3.32Å; T141-K143 PolarHBondContact O-N 3.4Å; K143-L145 PolarHBondContact O-N 2.96Å
144	K	80.6	Confident	91.3	Very high	157 Å²	157	41.7 Å²	41.7	68%	0.683	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-65.3	-25.5	176	-64.3	177.4	-175.6	170.5	0	113.6	T141 A142	T141-K144 WeakPolarHBondContact O-CG 3.18Å; T141-K144 PolarHBondContact O-N 3.22Å; A142-K144 PolarHBondContact O-N 2.71Å
145	L	79.7	Confident	91.2	Very high	59 Å²	59	41.7 Å²	41.7	31%	0.309	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-95.5	-9.3	-174.3	-61.5	178.4	0	0	0	114.1	A142 K143 H147	A142-L145 PolarHBondContact O-N 3.41Å; K143-L145 PolarHBondContact O-N 2.96Å; L145-H147 WeakPolarHBondContact CB-CD2 3.5Å; L145-H147 WeakPolarHBondContact CB-NE2 3.45Å; L145-H147 WeakPolarHBondContact CD1-NE2 3.27Å; L145-H147 PolarHBondContact O-N 3.25Å; L145-H147 VanDerWaalsContact O-N 3.14Å
146	E	82.7	Confident	91.2	Very high	177 Å²	177	41.7 Å²	41.7	83%	0.827	20%	0.203	S	C	*	.			trans	52.5	32.8	178.4	-58.3	-170.6	163.5	0	0	115.2
147	H	89.1	Confident	91.3	Very high	68 Å²	68	41.7 Å²	41.7	32%	0.315	20%	0.203	S	C	.	.			trans	-69.8	147.7	179.6	-69.5	-61.2	0	0	0	113.8	L145 W149 L150	L145-H147 WeakPolarHBondContact CB-CD2 3.5Å; L145-H147 WeakPolarHBondContact CB-NE2 3.45Å; L145-H147 WeakPolarHBondContact CD1-NE2 3.27Å; L145-H147 PolarHBondContact O-N 3.25Å; L145-H147 VanDerWaalsContact O-N 3.14Å; H147-W149 VanDerWaalsContact C-N 3.28Å; H147-W149 HydrophobicContact CB-CD2 4.04Å; H147-W149 VanDerWaalsContact CB-CE2 3.48Å; H147-W149 HydrophobicContact CB-CG 4.16Å; H147-W149 HydrophobicContact CB-CZ2 3.95Å; H147-W149 VanDerWaalsContact CB-NE1 3.32Å; H147-W149 AromaticContact CD2-CE2 3.86Å; H147-W149 AromaticContact CD2-CZ2 3.51Å; H147-W149 AromaticContact CD2-NE1 3.9Å; H147-W149 AromaticContact CG-CE2 3.81Å; H147-W149 AromaticContact CG-CZ2 3.95Å; H147-W149 AromaticContact CG-NE1 3.52Å; H147-W149 PolarHBondContact O-N 3.06Å; H147-L150 HydrophobicContact CB-CD1 4.21Å; H147-L150 HydrophobicContact CB-CG 4.4Å; H147-L150 WeakPolarHBondContact O-CB 3.43Å; H147-L150 PolarHBondContact O-N 3.11Å
148	C	92.9	Very high	91.4	Very high	54 Å²	54	41.8 Å²	41.8	37%	0.365	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-63.4	-30.9	179.9	-69.1	0	0	0	0	113.3	L150 E151 F456 L460 P565	C148-L150 PolarHBondContact O-N 3.17Å; C148-E151 WeakPolarHBondContact O-CB 3.22Å; C148-E151 PolarHBondContact O-N 3.27Å; C148-F456 HydrophobicContact CB-CE2 4.02Å; C148-F456 HydrophobicContact CB-CZ 4.02Å; C148-L460 HydrophobicContact CB-CD2 3.71Å; C148-P565 HydrophobicContact CB-CB 3.81Å; C148-P565 HydrophobicContact CB-CG 4.15Å; C148-P565 WeakPolarHBondContact O-CG 3.36Å
149	W	93.3	Very high	91.7	Very high	16 Å²	16	41.2 Å²	41.2	6%	0.061	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-71.9	-7.6	176.9	55	-103.9	0	0	0	113.9	L103 D108 A110 I113 A142 H147 V154	L103-W149 HydrophobicContact CB-CH2 4.24Å; L103-W149 HydrophobicContact CD1-CZ3 4.31Å; D108-W149 HydrophobicContact CB-CH2 4.43Å; D108-W149 HydrophobicContact CB-CZ2 4.41Å; D108-W149 WeakPolarHBondContact O-CZ2 3.45Å; A110-W149 HydrophobicContact CB-CB 4.04Å; I113-W149 HydrophobicContact CD1-CE3 4.46Å; A142-W149 HydrophobicContact CB-CH2 4.37Å; H147-W149 VanDerWaalsContact C-N 3.28Å; H147-W149 HydrophobicContact CB-CD2 4.04Å; H147-W149 VanDerWaalsContact CB-CE2 3.48Å; H147-W149 HydrophobicContact CB-CG 4.16Å; H147-W149 HydrophobicContact CB-CZ2 3.95Å; H147-W149 VanDerWaalsContact CB-NE1 3.32Å; H147-W149 AromaticContact CD2-CE2 3.86Å; H147-W149 AromaticContact CD2-CZ2 3.51Å; H147-W149 AromaticContact CD2-NE1 3.9Å; H147-W149 AromaticContact CG-CE2 3.81Å; H147-W149 AromaticContact CG-CZ2 3.95Å; H147-W149 AromaticContact CG-NE1 3.52Å; H147-W149 PolarHBondContact O-N 3.06Å; W149-V154 HydrophobicContact CB-CG1 4.42Å
150	L	93.8	Very high	92	Very high	26 Å²	26	41 Å²	41	14%	0.136	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-89	-3.4	172	-68.1	170.5	0	0	0	113.8	L139 A142 H147 C148	L139-L150 HydrophobicContact CB-CD2 4.41Å; L139-L150 HydrophobicContact CD1-CD2 4.03Å; A142-L150 VanDerWaalsContact C-CD1 3.41Å; A142-L150 HydrophobicContact CB-CD1 3.57Å; A142-L150 HydrophobicContact CB-CD2 3.37Å; A142-L150 HydrophobicContact CB-CG 4.08Å; A142-L150 WeakPolarHBondContact O-CD1 3.26Å; H147-L150 HydrophobicContact CB-CD1 4.21Å; H147-L150 HydrophobicContact CB-CG 4.4Å; H147-L150 WeakPolarHBondContact O-CB 3.43Å; H147-L150 PolarHBondContact O-N 3.11Å; C148-L150 PolarHBondContact O-N 3.17Å
151	E	94.6	Very high	92.4	Very high	24 Å²	24	36.9 Å²	36.9	11%	0.112	18%	0.181	C	C	.	.	S	Bend	trans	-53.6	128.6	170.9	-165.6	-70.6	130.7	0	0	108.3	C148 S153 V154 S155 K563 P565	C148-E151 WeakPolarHBondContact O-CB 3.22Å; C148-E151 PolarHBondContact O-N 3.27Å; E151-S153 VanDerWaalsContact CD-N 3.33Å; E151-S153 PolarHBondContact O-N 3.28Å; E151-S153 VanDerWaalsContact O-N 3.08Å; E151-S153 PolarHBondContact OE1-N 3.09Å; E151-S153 VanDerWaalsContact OE2-CA 3.22Å; E151-S153 WeakPolarHBondContact OE2-CA 3.47Å; E151-S153 WeakPolarHBondContact OE2-CB 3.43Å; E151-S153 PolarHBondContact OE2-N 2.92Å; E151-S153 PolarHBondContact OE2-OG 2.69Å; E151-V154 HydrophobicContact CB-CB 4.38Å; E151-V154 HydrophobicContact CB-CG2 4.02Å; E151-V154 WeakPolarHBondContact O-CB 3.25Å; E151-V154 PolarHBondContact O-N 2.64Å; E151-V154 PolarHBondContact OE2-N 2.84Å; E151-S155 PolarHBondContact O-N 3.25Å; E151-S155 PolarHBondContact O-OG 2.99Å; E151-K563 VanDerWaalsContact CD-O 3.26Å; E151-K563 VanDerWaalsContact OE2-O 3.14Å; E151-P565 HydrophobicContact CB-CG 3.76Å; E151-P565 HydrophobicContact CG-CG 4.07Å
152	P	95.4	Very high	92.8	Very high	41 Å²	41	35.9 Å²	35.9	27%	0.266	18%	0.175	S	C	.	.	H	α-helix	trans	-47.8	-39.5	-173.8	-37.2	38.8	0	0	0	114.8	S155 C156 Y204 V206	P152-S155 WeakPolarHBondContact CA-OG 3.28Å; P152-S155 PolarHBondContact O-OG 2.68Å; P152-C156 VanDerWaalsContact O-CB 3.27Å; P152-C156 WeakPolarHBondContact O-CB 3.09Å; P152-C156 PolarHBondContact O-N 3.33Å; P152-C156 PolarHBondContact O-SG 2.74Å; P152-Y204 HydrophobicContact CB-CD1 3.8Å; P152-Y204 HydrophobicContact CG-CD1 4.2Å; P152-V206 HydrophobicContact CB-CG1 3.61Å
153	S	96.8	Very high	93.4	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-74.1	-36.5	-176.9	102.3	0	0	0	0	111.6	E151 L157 M562 K563	E151-S153 VanDerWaalsContact CD-N 3.33Å; E151-S153 PolarHBondContact O-N 3.28Å; E151-S153 VanDerWaalsContact O-N 3.08Å; E151-S153 PolarHBondContact OE1-N 3.09Å; E151-S153 VanDerWaalsContact OE2-CA 3.22Å; E151-S153 WeakPolarHBondContact OE2-CA 3.47Å; E151-S153 WeakPolarHBondContact OE2-CB 3.43Å; E151-S153 PolarHBondContact OE2-N 2.92Å; E151-S153 PolarHBondContact OE2-OG 2.69Å; S153-L157 WeakPolarHBondContact O-CB 3.34Å; S153-L157 PolarHBondContact O-N 2.88Å; S153-L157 VanDerWaalsContact O-N 3.16Å; S153-M562 WeakPolarHBondContact OG-CE 3.31Å; S153-K563 PolarHBondContact OG-O 3.39Å
154	V	97.5	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-52.3	172.1	-178.7	0	0	0	0	111.7	W149 E151 C156 L157 A158 L460 L461 W564 P565	W149-V154 HydrophobicContact CB-CG1 4.42Å; E151-V154 HydrophobicContact CB-CB 4.38Å; E151-V154 HydrophobicContact CB-CG2 4.02Å; E151-V154 WeakPolarHBondContact O-CB 3.25Å; E151-V154 PolarHBondContact O-N 2.64Å; E151-V154 PolarHBondContact OE2-N 2.84Å; V154-C156 PolarHBondContact O-N 2.62Å; V154-L157 PolarHBondContact O-N 3.26Å; V154-A158 WeakPolarHBondContact O-CB 3.45Å; V154-A158 PolarHBondContact O-N 2.81Å; V154-L460 HydrophobicContact CG1-CB 4.07Å; V154-L460 WeakPolarHBondContact CG1-O 3.47Å; V154-L461 HydrophobicContact CG1-CD2 4.25Å; V154-W564 HydrophobicContact CB-CH2 4.27Å; V154-W564 HydrophobicContact CB-CZ3 4.27Å; V154-W564 HydrophobicContact CG1-CH2 4.33Å; V154-W564 HydrophobicContact CG2-CD2 4.26Å; V154-W564 HydrophobicContact CG2-CE3 3.85Å; V154-W564 HydrophobicContact CG2-CH2 3.73Å; V154-W564 HydrophobicContact CG2-CZ2 4.12Å; V154-W564 HydrophobicContact CG2-CZ3 3.59Å; V154-P565 VanDerWaalsContact CG2-CD 3.5Å; V154-P565 HydrophobicContact CG2-CG 3.81Å
155	S	96.6	Very high	95	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-41.9	-176.5	50.8	0	0	0	0	112.8	E151 P152 A158 S159	E151-S155 PolarHBondContact O-N 3.25Å; E151-S155 PolarHBondContact O-OG 2.99Å; P152-S155 WeakPolarHBondContact CA-OG 3.28Å; P152-S155 PolarHBondContact O-OG 2.68Å; S155-A158 PolarHBondContact O-N 3.48Å; S155-S159 PolarHBondContact O-N 3.36Å; S155-S159 VanDerWaalsContact O-N 3.09Å
156	C	98	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-38	174.8	-63.9	0	0	0	0	111.8	P152 V154 S159 L160 W198 Y204 L211	P152-C156 VanDerWaalsContact O-CB 3.27Å; P152-C156 WeakPolarHBondContact O-CB 3.09Å; P152-C156 PolarHBondContact O-N 3.33Å; P152-C156 PolarHBondContact O-SG 2.74Å; V154-C156 PolarHBondContact O-N 2.62Å; C156-S159 PolarHBondContact O-N 3.21Å; C156-L160 PolarHBondContact O-N 2.91Å; C156-W198 HydrophobicContact CB-CH2 4.06Å; C156-W198 HydrophobicContact CB-CZ2 3.81Å; C156-Y204 VanDerWaalsContact SG-CG 3.55Å; C156-L211 HydrophobicContact CB-CD1 4.37Å; C156-L211 HydrophobicContact CB-CD2 3.39Å; C156-L211 HydrophobicContact CB-CG 4.5Å
157	L	98.4	Very high	96.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.5	-42.8	176.5	-173.1	56.6	0	0	0	111.5	S153 V154 S159 L160 L161 L211 A215 L218 L461 L558 M562 W564	S153-L157 WeakPolarHBondContact O-CB 3.34Å; S153-L157 PolarHBondContact O-N 2.88Å; S153-L157 VanDerWaalsContact O-N 3.16Å; V154-L157 PolarHBondContact O-N 3.26Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.47Å; L157-L161 HydrophobicContact CD1-CD1 4.32Å; L157-L161 HydrophobicContact CD1-CG 4.3Å; L157-L161 HydrophobicContact CG-CD1 3.98Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 WeakPolarHBondContact O-CB 3.35Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.42Å; L157-L211 HydrophobicContact CB-CD1 3.93Å; L157-L211 HydrophobicContact CD1-CD1 4.43Å; L157-A215 HydrophobicContact CD1-CB 3.6Å; L157-L218 HydrophobicContact CD1-CD1 4.23Å; L157-L218 HydrophobicContact CD2-CD1 3.88Å; L157-L218 HydrophobicContact CG-CD1 4.39Å; L157-L461 HydrophobicContact CB-CD2 4.23Å; L157-L461 HydrophobicContact CD2-CD1 4.05Å; L157-L461 HydrophobicContact CD2-CD2 4.17Å; L157-L461 HydrophobicContact CG-CD2 4.11Å; L157-L558 HydrophobicContact CD2-CD1 3.95Å; L157-M562 HydrophobicContact CD2-SD 4.49Å; L157-W564 HydrophobicContact CD2-CH2 3.89Å; L157-W564 HydrophobicContact CD2-CZ3 4Å
158	A	98.4	Very high	96.9	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-58	-42.3	174.1	0	0	0	0	0	111.9	I113 T114 V154 S155 L161 G162 L461	I113-A158 HydrophobicContact CB-CB 4.49Å; I113-A158 HydrophobicContact CG2-CB 4.4Å; T114-A158 PolarHBondContact OG1-O 3.02Å; V154-A158 WeakPolarHBondContact O-CB 3.45Å; V154-A158 PolarHBondContact O-N 2.81Å; S155-A158 PolarHBondContact O-N 3.48Å; A158-L161 PolarHBondContact O-N 2.71Å; A158-G162 PolarHBondContact O-N 3.14Å; A158-L461 HydrophobicContact CB-CD2 4.33Å
159	S	98.5	Very high	97	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-48.4	176.1	-176.5	0	0	0	0	112.6	S117 S155 C156 L157 L161 G162 A163	S117-S159 WeakPolarHBondContact CB-O 3.38Å; S117-S159 VanDerWaalsContact OG-CA 3.3Å; S117-S159 WeakPolarHBondContact OG-CA 3.32Å; S117-S159 WeakPolarHBondContact OG-CB 3.43Å; S117-S159 PolarHBondContact OG-O 3.13Å; S117-S159 PolarHBondContact OG-OG 3.42Å; S155-S159 PolarHBondContact O-N 3.36Å; S155-S159 VanDerWaalsContact O-N 3.09Å; C156-S159 PolarHBondContact O-N 3.21Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 2.86Å; S159-L161 PolarHBondContact O-N 3.36Å; S159-G162 PolarHBondContact O-N 2.89Å; S159-A163 PolarHBondContact O-N 2.61Å
160	L	98.6	Very high	97	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-43.1	176.4	-79.9	165.7	0	0	0	112.2	P34 C156 L157 G162 A163 L164 W198 L211 T212 A215	P34-L160 HydrophobicContact CB-CD2 4.17Å; P34-L160 HydrophobicContact CG-CD2 4.13Å; C156-L160 PolarHBondContact O-N 2.91Å; L157-L160 PolarHBondContact O-N 3.47Å; L160-G162 PolarHBondContact O-N 3.32Å; L160-A163 WeakPolarHBondContact O-CB 3.25Å; L160-A163 PolarHBondContact O-N 2.87Å; L160-L164 WeakPolarHBondContact O-CB 3.5Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.29Å; L160-L164 PolarHBondContact O-N 2.99Å; L160-W198 HydrophobicContact CD1-CD2 4.18Å; L160-W198 HydrophobicContact CD1-CE3 4.36Å; L160-W198 HydrophobicContact CD2-CB 4.14Å; L160-W198 HydrophobicContact CD2-CD2 3.75Å; L160-W198 HydrophobicContact CD2-CE3 3.44Å; L160-W198 VanDerWaalsContact CD2-CE3 3.44Å; L160-W198 HydrophobicContact CD2-CG 4.05Å; L160-W198 HydrophobicContact CD2-CZ3 4.11Å; L160-W198 HydrophobicContact CG-CD2 4Å; L160-W198 HydrophobicContact CG-CE3 3.69Å; L160-W198 HydrophobicContact CG-CH2 4.38Å; L160-W198 HydrophobicContact CG-CZ3 3.89Å; L160-L211 HydrophobicContact CD1-CD2 3.67Å; L160-L211 HydrophobicContact CD1-CG 3.82Å; L160-T212 HydrophobicContact CD1-CG2 3.98Å; L160-T212 HydrophobicContact CD2-CG2 4.3Å; L160-A215 HydrophobicContact CB-CB 3.77Å; L160-A215 HydrophobicContact CD1-CB 3.91Å; L160-A215 HydrophobicContact CG-CB 4.4Å
161	L	98.6	Very high	97	Very high	9 Å²	9	10.1 Å²	10.1	5%	0.047	6%	0.057	C	C	.	.	H	α-helix	trans	-65.6	-36.9	178.2	-71.1	170.8	0	0	0	112.1	L157 A158 S159 L164 H165 L218 L222 L461 L550	L157-L161 HydrophobicContact CD1-CD1 4.32Å; L157-L161 HydrophobicContact CD1-CG 4.3Å; L157-L161 HydrophobicContact CG-CD1 3.98Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 WeakPolarHBondContact O-CB 3.35Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.42Å; A158-L161 PolarHBondContact O-N 2.71Å; S159-L161 PolarHBondContact O-N 3.36Å; L161-L164 PolarHBondContact O-N 2.94Å; L161-H165 WeakPolarHBondContact O-CB 3.31Å; L161-H165 PolarHBondContact O-N 3.19Å; L161-L218 HydrophobicContact CD1-CD1 4.41Å; L161-L218 HydrophobicContact CD2-CB 4.02Å; L161-L222 HydrophobicContact CD2-CD1 4.2Å; L161-L461 HydrophobicContact CD1-CD1 4.24Å; L161-L461 HydrophobicContact CD1-CD2 4.28Å; L161-L550 HydrophobicContact CD1-CD1 3.91Å; L161-L550 HydrophobicContact CD1-CD2 3.87Å
162	G	98.4	Very high	96.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.8	-42.2	172.7	0	0	0	0	0	112.6	T114 T118 A158 S159 L160 H165 A166	T114-G162 WeakPolarHBondContact O-CA 3.1Å; T118-G162 WeakPolarHBondContact CA-O 3.49Å; T118-G162 WeakPolarHBondContact OG1-CA 3.09Å; T118-G162 PolarHBondContact OG1-O 2.78Å; A158-G162 PolarHBondContact O-N 3.14Å; S159-G162 PolarHBondContact O-N 2.89Å; L160-G162 PolarHBondContact O-N 3.32Å; G162-H165 PolarHBondContact O-N 3.23Å; G162-A166 PolarHBondContact O-N 3.48Å; G162-A166 VanDerWaalsContact O-N 3.1Å
163	A	98.7	Very high	96.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-45.3	174.3	0	0	0	0	0	112.6	I121 L134 S159 L160 A166 L167 L196	I121-A163 HydrophobicContact CD1-CB 4.3Å; I121-A163 HydrophobicContact CG1-CB 3.62Å; L134-A163 HydrophobicContact CD2-CB 3.49Å; L134-A163 VanDerWaalsContact CD2-CB 3.49Å; S159-A163 PolarHBondContact O-N 2.61Å; L160-A163 WeakPolarHBondContact O-CB 3.25Å; L160-A163 PolarHBondContact O-N 2.87Å; A163-A166 WeakPolarHBondContact O-CB 3.42Å; A163-A166 PolarHBondContact O-N 3Å; A163-L167 WeakPolarHBondContact O-CG 3.42Å; A163-L167 PolarHBondContact O-N 3.25Å; A163-L196 HydrophobicContact CB-CD2 4.18Å
164	L	98.3	Very high	96.2	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-65.2	-39.2	177.8	-72.1	168	0	0	0	111.9	I32 P34 L160 L161 A166 L167 Y168 L196 A215 E219	I32-L164 WeakPolarHBondContact O-CD2 3.45Å; P34-L164 HydrophobicContact CG-CD1 4.46Å; P34-L164 HydrophobicContact CG-CD2 4.41Å; L160-L164 WeakPolarHBondContact O-CB 3.5Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.29Å; L160-L164 PolarHBondContact O-N 2.99Å; L161-L164 PolarHBondContact O-N 2.94Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 2.98Å; L164-L167 CarbonylContact O-C 3.57Å; L164-L167 WeakPolarHBondContact O-CA 3.2Å; L164-L167 PolarHBondContact O-N 3.39Å; L164-Y168 PolarHBondContact O-N 3.49Å; L164-L196 HydrophobicContact CD2-CD2 3.94Å; L164-L196 HydrophobicContact CG-CD2 4.27Å; L164-A215 HydrophobicContact CD1-CB 4.12Å; L164-E219 HydrophobicContact CB-CB 4.11Å; L164-E219 HydrophobicContact CB-CG 3.76Å; L164-E219 HydrophobicContact CD1-CB 3.72Å; L164-E219 HydrophobicContact CD1-CG 4.18Å; L164-E219 HydrophobicContact CD2-CG 4.34Å; L164-E219 HydrophobicContact CG-CB 4.37Å; L164-E219 HydrophobicContact CG-CG 4.3Å
165	H	97.6	Very high	95.6	Very high	45 Å²	45	17.5 Å²	17.5	21%	0.208	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-42.9	172.2	-175.7	85.4	0	0	0	112.1	L161 G162 L167 Y168 R226	L161-H165 WeakPolarHBondContact O-CB 3.31Å; L161-H165 PolarHBondContact O-N 3.19Å; G162-H165 PolarHBondContact O-N 3.23Å; H165-L167 PolarHBondContact O-N 2.84Å; H165-Y168 WeakPolarHBondContact O-CB 3.43Å; H165-Y168 PolarHBondContact O-N 2.9Å; H165-R226 PolarHBondContact ND1-NH2 3.37Å
166	A	97.4	Very high	94.6	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-31.1	175.1	0	0	0	0	0	112.7	T118 I121 S122 G162 A163 L164 K192	T118-A166 HydrophobicContact CG2-CB 4.1Å; T118-A166 WeakPolarHBondContact O-CB 3.04Å; I121-A166 HydrophobicContact CB-CB 3.9Å; I121-A166 HydrophobicContact CG2-CB 3.73Å; S122-A166 WeakPolarHBondContact OG-CB 3.33Å; G162-A166 PolarHBondContact O-N 3.48Å; G162-A166 VanDerWaalsContact O-N 3.1Å; A163-A166 WeakPolarHBondContact O-CB 3.42Å; A163-A166 PolarHBondContact O-N 3Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 2.98Å; A166-K192 VanDerWaalsContact O-CD 3.29Å; A166-K192 WeakPolarHBondContact O-CD 3.4Å; A166-K192 PolarHBondContact O-NZ 3.02Å
167	L	97.2	Very high	93	Very high	12 Å²	12	27.7 Å²	27.7	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-84.3	-16.7	-179.2	-65.1	174.9	0	0	0	114.1	I32 I121 I125 A163 L164 H165 V169 K192 A193 L196	I32-L167 HydrophobicContact CD1-CD1 4.24Å; I121-L167 HydrophobicContact CG2-CD2 3.81Å; I121-L167 HydrophobicContact CG2-CG 3.9Å; I125-L167 HydrophobicContact CD1-CD2 3.85Å; I125-L167 HydrophobicContact CG1-CD2 3.96Å; A163-L167 WeakPolarHBondContact O-CG 3.42Å; A163-L167 PolarHBondContact O-N 3.25Å; L164-L167 CarbonylContact O-C 3.57Å; L164-L167 WeakPolarHBondContact O-CA 3.2Å; L164-L167 PolarHBondContact O-N 3.39Å; H165-L167 PolarHBondContact O-N 2.84Å; L167-V169 PolarHBondContact O-N 2.89Å; L167-K192 HydrophobicContact CD2-CB 4.05Å; L167-A193 HydrophobicContact CD2-CB 3.8Å; L167-L196 HydrophobicContact CD1-CB 4.06Å; L167-L196 HydrophobicContact CD1-CD1 4.31Å; L167-L196 HydrophobicContact CD1-CD2 3.84Å; L167-L196 HydrophobicContact CD1-CG 4.29Å
168	Y	96.2	Very high	90.9	Very high	11 Å²	11	36.2 Å²	36.2	4%	0.043	17%	0.172	C	C	.	.			trans	-52.9	131.3	177.4	172.1	-99.5	0	0	0	111.9	L164 H165 P170 K192 R223 R226 D227 I543	L164-Y168 PolarHBondContact O-N 3.49Å; H165-Y168 WeakPolarHBondContact O-CB 3.43Å; H165-Y168 PolarHBondContact O-N 2.9Å; Y168-P170 HydrophobicContact CE1-CB 4.36Å; Y168-P170 HydrophobicContact CE1-CG 4.1Å; Y168-K192 WeakPolarHBondContact O-CE 3.48Å; Y168-K192 PolarHBondContact O-NZ 2.75Å; Y168-R223 HydrophobicContact CD2-CB 4.48Å; Y168-R223 HydrophobicContact CD2-CG 4.08Å; Y168-R223 HydrophobicContact CE2-CG 3.96Å; Y168-R226 HydrophobicContact CD2-CB 4.36Å; Y168-R226 HydrophobicContact CE1-CB 4.08Å; Y168-R226 HydrophobicContact CE2-CB 3.62Å; Y168-R226 HydrophobicContact CE2-CG 4.43Å; Y168-R226 VanDerWaalsContact CZ-CB 3.45Å; Y168-R226 WeakPolarHBondContact OH-CB 3.44Å; Y168-D227 PolarHBondContact OH-OD1 3.25Å; Y168-D227 VanDerWaalsContact OH-OD1 3.11Å; Y168-I543 HydrophobicContact CD1-CB 4.48Å; Y168-I543 HydrophobicContact CD1-CD1 4.1Å; Y168-I543 HydrophobicContact CD1-CG1 4.15Å; Y168-I543 HydrophobicContact CD1-CG2 3.5Å; Y168-I543 HydrophobicContact CE1-CG1 4.49Å; Y168-I543 HydrophobicContact CE1-CG2 3.78Å; Y168-I543 HydrophobicContact CG-CG2 4.34Å
169	V	94.6	Very high	88.6	Confident	9 Å²	9	44 Å²	44	6%	0.055	21%	0.208	C	C	.	.			trans	-111.4	121.8	174.4	-175.8	0	0	0	0	109	L167 V173 R174 Q189 K192	L167-V169 PolarHBondContact O-N 2.89Å; V169-V173 HydrophobicContact CG1-CB 3.75Å; V169-V173 HydrophobicContact CG1-CG1 3.68Å; V169-R174 HydrophobicContact CB-CG 3.87Å; V169-R174 HydrophobicContact CG1-CG 3.62Å; V169-R174 PolarHBondContact O-NE 3.44Å; V169-Q189 WeakPolarHBondContact CG1-O 3.38Å; V169-K192 HydrophobicContact CG2-CG 3.79Å
170	P	93.8	Very high	86.5	Confident	43 Å²	43	53.8 Å²	53.8	28%	0.279	25%	0.254	S	S	.	.			trans	-52.1	141.9	176.4	-26.7	34.7	0	0	0	112.6	Y168 E172 V173 R174	Y168-P170 HydrophobicContact CE1-CB 4.36Å; Y168-P170 HydrophobicContact CE1-CG 4.1Å; P170-E172 PolarHBondContact O-N 2.57Å; P170-V173 HydrophobicContact CB-CG2 4.28Å; P170-V173 HydrophobicContact CG-CG2 4.47Å; P170-V173 WeakPolarHBondContact O-CB 3.45Å; P170-V173 PolarHBondContact O-N 3.15Å; P170-R174 PolarHBondContact O-N 2.98Å; P170-R174 VanDerWaalsContact O-N 3.09Å
171	L	92.8	Very high	84.7	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-38.5	179.5	-171.2	66.7	0	0	0	112.1	V173 R174 E175 D227 S231 R235 M236	L171-V173 PolarHBondContact O-N 3.45Å; L171-V173 VanDerWaalsContact O-N 3.15Å; L171-R174 PolarHBondContact O-N 3.44Å; L171-R174 VanDerWaalsContact O-N 3.11Å; L171-E175 HydrophobicContact CD1-CG 3.85Å; L171-E175 HydrophobicContact CG-CG 4.05Å; L171-E175 WeakPolarHBondContact O-CB 3.45Å; L171-E175 PolarHBondContact O-N 3.15Å; L171-D227 HydrophobicContact CB-CB 4.38Å; L171-D227 HydrophobicContact CD2-CB 4.32Å; L171-S231 WeakPolarHBondContact CB-OG 3.5Å; L171-R235 HydrophobicContact CD2-CG 4.11Å; L171-M236 HydrophobicContact CD2-CE 3.27Å
172	E	90.1	Very high	82.9	Confident	49 Å²	49	60 Å²	60	23%	0.229	31%	0.311	C	S	.	.	H	α-helix	trans	-48.8	-40	172.2	-74.5	55.5	-137	0	0	112.9	P170 F176 S231 D232 R235	P170-E172 PolarHBondContact O-N 2.57Å; E172-F176 WeakPolarHBondContact O-CA 3.38Å; E172-F176 VanDerWaalsContact O-CB 3.31Å; E172-F176 WeakPolarHBondContact O-CB 3.08Å; E172-F176 PolarHBondContact O-N 3.24Å; E172-F176 VanDerWaalsContact O-N 3.14Å; E172-S231 WeakPolarHBondContact OE1-CA 3.46Å; E172-S231 WeakPolarHBondContact OE1-CB 3.45Å; E172-S231 PolarHBondContact OE1-OG 3.25Å; E172-D232 PolarHBondContact OE1-N 2.85Å; E172-R235 VanDerWaalsContact CG-NH1 3.3Å; E172-R235 IonicContact OE1-CZ 2.69Å; E172-R235 IonicContact OE1-NH1 3.61Å; E172-R235 PolarHBondContact OE1-NH1 3.25Å
173	V	89.8	Confident	81.2	Confident	58 Å²	58	66.8 Å²	66.8	35%	0.352	35%	0.353	S	S	.	.	H	α-helix	trans	-82.1	-37.9	-177.1	177.2	0	0	0	0	110.4	V169 P170 L171 F176 Q189	V169-V173 HydrophobicContact CG1-CB 3.75Å; V169-V173 HydrophobicContact CG1-CG1 3.68Å; P170-V173 HydrophobicContact CB-CG2 4.28Å; P170-V173 HydrophobicContact CG-CG2 4.47Å; P170-V173 WeakPolarHBondContact O-CB 3.45Å; P170-V173 PolarHBondContact O-N 3.15Å; L171-V173 PolarHBondContact O-N 3.45Å; L171-V173 VanDerWaalsContact O-N 3.15Å; V173-F176 WeakPolarHBondContact O-CB 3.19Å; V173-F176 PolarHBondContact O-N 2.83Å; V173-Q189 HydrophobicContact CG1-CB 4.26Å
174	R	90	Very high	79.3	Confident	22 Å²	22	68.8 Å²	68.8	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-69.1	-34.2	176.9	-64.3	-164.1	-78.6	154.8	-4.5	112.6	H28 R29 V169 P170 L171 I188 D227	H28-R174 PolarHBondContact O-NH1 3.21Å; R29-R174 PolarHBondContact O-NH1 3.13Å; V169-R174 HydrophobicContact CB-CG 3.87Å; V169-R174 HydrophobicContact CG1-CG 3.62Å; V169-R174 PolarHBondContact O-NE 3.44Å; P170-R174 PolarHBondContact O-N 2.98Å; P170-R174 VanDerWaalsContact O-N 3.09Å; L171-R174 PolarHBondContact O-N 3.44Å; L171-R174 VanDerWaalsContact O-N 3.11Å; R174-I188 WeakPolarHBondContact O-CG2 3.45Å; R174-D227 IonicContact CZ-OD1 3.48Å; R174-D227 IonicContact CZ-OD2 3.87Å; R174-D227 IonicContact NH2-OD1 3Å; R174-D227 PolarHBondContact NH2-OD1 2.95Å; R174-D227 IonicContact NH2-OD2 2.87Å; R174-D227 PolarHBondContact NH2-OD2 3.33Å
175	E	85.5	Confident	77.7	Confident	96 Å²	96	74.9 Å²	74.9	45%	0.449	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	15.8	176.3	-60.8	-173.5	164.7	0	0	112.4	L171 D177 R235	L171-E175 HydrophobicContact CD1-CG 3.85Å; L171-E175 HydrophobicContact CG-CG 4.05Å; L171-E175 WeakPolarHBondContact O-CB 3.45Å; L171-E175 PolarHBondContact O-N 3.15Å; E175-D177 PolarHBondContact O-N 3.48Å; E175-R235 WeakPolarHBondContact OE2-CD 3.49Å; E175-R235 IonicContact OE2-NE 2.69Å; E175-R235 PolarHBondContact OE2-NE 3.03Å
176	F	75.7	Confident	76.2	Confident	110 Å²	110	79.7 Å²	79.7	48%	0.482	42%	0.424	S	S	.	.			trans	-71.3	71.6	175.1	-160.7	-97.2	0	0	0	109.1	E172 V173	E172-F176 WeakPolarHBondContact O-CA 3.38Å; E172-F176 VanDerWaalsContact O-CB 3.31Å; E172-F176 WeakPolarHBondContact O-CB 3.08Å; E172-F176 PolarHBondContact O-N 3.24Å; E172-F176 VanDerWaalsContact O-N 3.14Å; V173-F176 WeakPolarHBondContact O-CB 3.19Å; V173-F176 PolarHBondContact O-N 2.83Å
177	D	65	Low	74.6	Confident	105 Å²	105	84.8 Å²	84.8	56%	0.561	46%	0.456	S	S	*	.			trans	-112.6	155.7	-173.3	-143.9	-8.3	0	0	0	112.4	E175 Q179 I188	E175-D177 PolarHBondContact O-N 3.48Å; D177-Q179 PolarHBondContact O-N 3.25Å; D177-I188 HydrophobicContact CB-CD1 4.28Å; D177-I188 WeakPolarHBondContact OD1-CD1 3Å
178	R	53.6	Low	73.4	Confident	179 Å²	179	87 Å²	87	68%	0.675	47%	0.468	S	S	*	.			trans	-66.6	107.2	-170.8	-62	158.2	176.7	172.5	-0.3	110.1	E180	R178-E180 PolarHBondContact O-N 3.34Å
179	Q	50.7	Low	72.6	Confident	165 Å²	165	90.4 Å²	90.4	77%	0.771	48%	0.484	S	S	*	.			trans	-53.2	137.8	151.8	-70	-158.7	-13.7	0	0	107.8	D177 G181 S182	D177-Q179 PolarHBondContact O-N 3.25Å; Q179-G181 PolarHBondContact O-N 2.85Å; Q179-G181 VanDerWaalsContact O-N 3.09Å; Q179-S182 WeakPolarHBondContact O-CB 3.28Å; Q179-S182 PolarHBondContact O-N 2.96Å
180	E	53	Low	72.1	Confident	205 Å²	205	91.7 Å²	91.7	96%	0.958	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	120.9	166.6	-80.2	-176.9	149.9	0	0	108.4	R178	R178-E180 PolarHBondContact O-N 3.34Å
181	G	62.1	Low	71.8	Confident	83 Å²	83	91.5 Å²	91.5	86%	0.856	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-0.3	-174	0	0	0	0	0	116.3	Q179 T183	Q179-G181 PolarHBondContact O-N 2.85Å; Q179-G181 VanDerWaalsContact O-N 3.09Å; G181-T183 PolarHBondContact O-N 3Å
182	S	60	Low	71.9	Confident	57 Å²	57	93.6 Å²	93.6	40%	0.399	50%	0.498	S	S	.	.			trans	-68.2	125.2	174.1	-178.4	0	0	0	0	111.4	Q179 C184	Q179-S182 WeakPolarHBondContact O-CB 3.28Å; Q179-S182 PolarHBondContact O-N 2.96Å; S182-C184 PolarHBondContact O-N 2.95Å; S182-C184 WeakPolarHBondContact OG-CB 2.72Å; S182-C184 PolarHBondContact OG-N 3.42Å
183	T	63.9	Low	72.1	Confident	141 Å²	141	91.4 Å²	91.4	87%	0.865	49%	0.488	S	S	*	.			trans	-75.7	3.5	173.3	54	0	0	0	0	113.1	G181 T185	G181-T183 PolarHBondContact O-N 3Å; T183-T185 PolarHBondContact O-N 3.2Å
184	C	58.2	Low	72.3	Confident	42 Å²	42	94.3 Å²	94.3	28%	0.284	50%	0.498	S	S	.	.			trans	-77.2	118.1	-175.4	-159.4	0	0	0	0	112	S182	S182-C184 PolarHBondContact O-N 2.95Å; S182-C184 WeakPolarHBondContact OG-CB 2.72Å; S182-C184 PolarHBondContact OG-N 3.42Å
185	T	65.4	Low	72.6	Confident	130 Å²	130	94.9 Å²	94.9	80%	0.798	50%	0.504	S	S	*	.			trans	-95.9	1.8	179.6	53.7	0	0	0	0	113.9	T183	T183-T185 PolarHBondContact O-N 3.2Å
186	K	65.5	Low	73.2	Confident	147 Å²	147	90.3 Å²	90.3	64%	0.639	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-64.2	129.5	-179.4	-71.6	-174.2	179	-179.9	0	109.9
187	P	64.4	Low	74.3	Confident	110 Å²	110	85.1 Å²	85.1	71%	0.714	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-67	140.1	176.2	26.9	-32.2	0	0	0	110.2	Q189	P187-Q189 PolarHBondContact O-N 2.89Å
188	I	70.6	Confident	75.9	Confident	59 Å²	59	80.1 Å²	80.1	30%	0.303	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-60.1	120.9	168.4	-60.6	171.9	0	0	0	107.1	R174 D177	R174-I188 WeakPolarHBondContact O-CG2 3.45Å; D177-I188 HydrophobicContact CB-CD1 4.28Å; D177-I188 WeakPolarHBondContact OD1-CD1 3Å
189	Q	79.8	Confident	78	Confident	82 Å²	82	72.1 Å²	72.1	38%	0.383	40%	0.403	S	S	.	.			trans	-101.3	98.2	173.4	-173.8	173.6	7.3	0	0	108.1	V169 V173 P187 Q191	V169-Q189 WeakPolarHBondContact CG1-O 3.38Å; V173-Q189 HydrophobicContact CG1-CB 4.26Å; P187-Q189 PolarHBondContact O-N 2.89Å; Q189-Q191 WeakPolarHBondContact CG-O 3.43Å; Q189-Q191 PolarHBondContact NE2-O 2.85Å; Q189-Q191 VanDerWaalsContact NE2-O 3.14Å
190	S	83.9	Confident	80.1	Confident	36 Å²	36	65.7 Å²	65.7	25%	0.252	38%	0.377	S	S	.	.	S	Bend	trans	-79.5	-25.7	175.2	55	0	0	0	0	113.2	H28	H28-S190 WeakPolarHBondContact ND1-CB 3.38Å; H28-S190 PolarHBondContact ND1-OG 3.17Å
191	Q	89.1	Confident	81.7	Confident	40 Å²	40	57.9 Å²	57.9	19%	0.187	35%	0.351	C	S	.	.			trans	-143.5	152.8	-177.1	-66.4	-178.6	-18.1	0	0	111.3	M26 E30 I32 Q189 A193	M26-Q191 PolarHBondContact SD-NE2 2.71Å; E30-Q191 PolarHBondContact O-NE2 3.41Å; I32-Q191 HydrophobicContact CD1-CB 4.35Å; I32-Q191 HydrophobicContact CG1-CG 4.34Å; Q189-Q191 WeakPolarHBondContact CG-O 3.43Å; Q189-Q191 PolarHBondContact NE2-O 2.85Å; Q189-Q191 VanDerWaalsContact NE2-O 3.14Å; Q191-A193 VanDerWaalsContact CB-O 3.31Å; Q191-A193 WeakPolarHBondContact CB-O 3.28Å; Q191-A193 PolarHBondContact OE1-O 3.21Å
192	K	92.9	Very high	82.8	Confident	49 Å²	49	55 Å²	55	21%	0.213	32%	0.317	C	S	.	.	S	Bend	trans	-83.9	-33.9	175.4	-67.7	-176.8	-167.5	161.7	0	113	I125 K130 A166 L167 Y168 V169	I125-K192 HydrophobicContact CD1-CB 4.44Å; I125-K192 HydrophobicContact CG1-CB 4.34Å; I125-K192 HydrophobicContact CG2-CB 4.12Å; K130-K192 PolarHBondContact NZ-O 3.09Å; A166-K192 VanDerWaalsContact O-CD 3.29Å; A166-K192 WeakPolarHBondContact O-CD 3.4Å; A166-K192 PolarHBondContact O-NZ 3.02Å; L167-K192 HydrophobicContact CD2-CB 4.05Å; Y168-K192 WeakPolarHBondContact O-CE 3.48Å; Y168-K192 PolarHBondContact O-NZ 2.75Å; V169-K192 HydrophobicContact CG2-CG 3.79Å
193	A	94.7	Very high	84.1	Confident	4 Å²	4	56 Å²	56	3%	0.033	32%	0.315	C	S	.	.			trans	-123.4	166.9	177	0	0	0	0	0	110.4	I32 I125 K130 L167 Q191	I32-A193 HydrophobicContact CD1-CB 3.78Å; I32-A193 WeakPolarHBondContact CD1-O 3.23Å; I125-A193 HydrophobicContact CD1-CB 3.98Å; K130-A193 CarbonylContact O-C 3.54Å; K130-A193 WeakPolarHBondContact O-CA 3.22Å; K130-A193 WeakPolarHBondContact O-CB 3.35Å; L167-A193 HydrophobicContact CD2-CB 3.8Å; Q191-A193 VanDerWaalsContact CB-O 3.31Å; Q191-A193 WeakPolarHBondContact CB-O 3.28Å; Q191-A193 PolarHBondContact OE1-O 3.21Å
194	E	94.7	Very high	85.4	Confident	119 Å²	119	50 Å²	50	56%	0.556	28%	0.276	S	S	*	.	S	Bend	trans	-95.6	-35.3	171.5	-65.3	169.6	-163.7	0	0	111	K130 R131	K130-E194 HydrophobicContact CB-CG 4.29Å; K130-E194 PolarHBondContact O-N 3.05Å; R131-E194 HydrophobicContact CG-CB 4.33Å
195	V	96.7	Very high	87	Confident	34 Å²	34	53 Å²	53	21%	0.206	30%	0.304	C	S	.	.			trans	-140.8	142.1	-179	-178.5	0	0	0	0	109.1	V35 Y45 K130 R131 P132	V35-V195 HydrophobicContact CG2-CG1 4.23Å; Y45-V195 HydrophobicContact CE1-CG1 4.02Å; K130-V195 PolarHBondContact O-N 2.92Å; R131-V195 WeakPolarHBondContact CA-O 3.47Å; R131-V195 HydrophobicContact CB-CB 4.35Å; R131-V195 HydrophobicContact CG-CB 4.16Å; R131-V195 HydrophobicContact CG-CG2 4.3Å; P132-V195 VanDerWaalsContact CD-O 3.29Å; P132-V195 WeakPolarHBondContact CD-O 3.49Å
196	L	98.4	Very high	88.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.			trans	-114.7	112.2	164.5	174.7	62	0	0	0	108.2	I32 P34 V35 I121 P132 L134 A163 L164 L167	I32-L196 HydrophobicContact CG2-CB 3.97Å; P34-L196 CarbonylContact C-O 3.54Å; P34-L196 VanDerWaalsContact CA-O 3.25Å; P34-L196 WeakPolarHBondContact CA-O 3.2Å; P34-L196 HydrophobicContact CB-CD2 4.38Å; P34-L196 HydrophobicContact CB-CG 4.45Å; P34-L196 HydrophobicContact CG-CD2 4.14Å; V35-L196 PolarHBondContact N-O 2.72Å; I121-L196 HydrophobicContact CD1-CD1 3.9Å; P132-L196 HydrophobicContact CG-CD1 4.28Å; L134-L196 HydrophobicContact CB-CD1 4.29Å; A163-L196 HydrophobicContact CB-CD2 4.18Å; L164-L196 HydrophobicContact CD2-CD2 3.94Å; L164-L196 HydrophobicContact CG-CD2 4.27Å; L167-L196 HydrophobicContact CD1-CB 4.06Å; L167-L196 HydrophobicContact CD1-CD1 4.31Å; L167-L196 HydrophobicContact CD1-CD2 3.84Å; L167-L196 HydrophobicContact CD1-CG 4.29Å
197	G	98.3	Very high	90	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144	171.9	0	0	0	0	0	111.3	V35 P132 L134	V35-G197 CarbonylContact O-C 3.49Å; V35-G197 WeakPolarHBondContact O-CA 3.13Å; P132-G197 PolarHBondContact O-N 3.12Å; L134-G197 WeakPolarHBondContact CB-O 3.45Å; L134-G197 PolarHBondContact N-O 3.06Å
198	W	98.4	Very high	91.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.6	168.7	174.3	-102.3	0	0	0	109.5	P34 V35 V36 T37 L134 L136 C156 L160 S200 H208 L211 T212	P34-W198 HydrophobicContact CB-CB 4.49Å; V35-W198 PolarHBondContact O-N 2.95Å; V36-W198 WeakPolarHBondContact CA-O 3.16Å; T37-W198 PolarHBondContact N-O 3.05Å; L134-W198 HydrophobicContact CB-CE3 4.27Å; L134-W198 HydrophobicContact CD2-CE3 3.82Å; L134-W198 HydrophobicContact CD2-CZ3 3.71Å; L134-W198 HydrophobicContact CG-CE3 4.05Å; L134-W198 HydrophobicContact CG-CZ3 3.95Å; L136-W198 HydrophobicContact CB-CH2 3.94Å; L136-W198 HydrophobicContact CB-CZ3 4.49Å; C156-W198 HydrophobicContact CB-CH2 4.06Å; C156-W198 HydrophobicContact CB-CZ2 3.81Å; L160-W198 HydrophobicContact CD1-CD2 4.18Å; L160-W198 HydrophobicContact CD1-CE3 4.36Å; L160-W198 HydrophobicContact CD2-CB 4.14Å; L160-W198 HydrophobicContact CD2-CD2 3.75Å; L160-W198 HydrophobicContact CD2-CE3 3.44Å; L160-W198 VanDerWaalsContact CD2-CE3 3.44Å; L160-W198 HydrophobicContact CD2-CG 4.05Å; L160-W198 HydrophobicContact CD2-CZ3 4.11Å; L160-W198 HydrophobicContact CG-CD2 4Å; L160-W198 HydrophobicContact CG-CE3 3.69Å; L160-W198 HydrophobicContact CG-CH2 4.38Å; L160-W198 HydrophobicContact CG-CZ3 3.89Å; W198-S200 PolarHBondContact O-N 2.99Å; W198-H208 AromaticContact CD1-ND1 3.93Å; W198-H208 AromaticContact CE2-ND1 3.98Å; W198-H208 AromaticContact NE1-CE1 3.78Å; W198-H208 AromaticContact NE1-CG 3.82Å; W198-H208 AromaticContact NE1-ND1 3.02Å; W198-H208 PolarHBondContact NE1-ND1 3.41Å; W198-L211 HydrophobicContact CZ2-CD2 4.24Å; W198-T212 HydrophobicContact CB-CG2 3.78Å; W198-T212 HydrophobicContact CG-CG2 3.76Å
199	F	97.6	Very high	92.8	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.5	-178.1	-173.6	-102.9	0	0	0	111.7	T37 S38 L40 F61 L133 L134 L135 G201 T202	T37-F199 CarbonylContact O-C 3.58Å; T37-F199 VanDerWaalsContact O-CA 3.29Å; T37-F199 WeakPolarHBondContact O-CA 3.38Å; S38-F199 WeakPolarHBondContact O-CE2 3.32Å; L40-F199 HydrophobicContact CB-CD2 4.37Å; L40-F199 HydrophobicContact CB-CE2 3.65Å; L40-F199 HydrophobicContact CB-CZ 4.03Å; L40-F199 HydrophobicContact CD1-CD2 4.2Å; L40-F199 HydrophobicContact CD1-CE2 4.18Å; L40-F199 HydrophobicContact CD1-CZ 4.48Å; L40-F199 HydrophobicContact CG-CE2 4.48Å; F61-F199 HydrophobicContact CD1-CE1 4.11Å; F61-F199 HydrophobicContact CE1-CD1 4.45Å; F61-F199 AromaticContact CE1-CE1 3.82Å; F61-F199 HydrophobicContact CE1-CE1 3.82Å; L133-F199 HydrophobicContact CD1-CB 4.07Å; L133-F199 HydrophobicContact CD2-CD2 4.41Å; L133-F199 HydrophobicContact CG-CB 4.45Å; L134-F199 WeakPolarHBondContact O-CB 3.47Å; L134-F199 PolarHBondContact O-N 3.33Å; L135-F199 HydrophobicContact CB-CB 4.2Å; L135-F199 HydrophobicContact CD1-CB 4.04Å; L135-F199 HydrophobicContact CD1-CD1 3.3Å; L135-F199 HydrophobicContact CD1-CE1 4.04Å; L135-F199 HydrophobicContact CD1-CG 4.02Å; L135-F199 HydrophobicContact CD2-CD1 4.34Å; L135-F199 HydrophobicContact CG-CD1 4.31Å; F199-G201 VanDerWaalsContact CE1-O 3.26Å; F199-G201 WeakPolarHBondContact CE1-O 3.28Å; F199-T202 HydrophobicContact CD1-CG2 3.88Å; F199-T202 WeakPolarHBondContact O-CG2 3.49Å
200	S	95.5	Very high	93.6	Very high	30 Å²	30	44.7 Å²	44.7	21%	0.21	25%	0.251	C	S	.	.			trans	-91.4	-12.5	178.2	57.4	0	0	0	0	114.3	T37 W198 T202 H208	T37-S200 PolarHBondContact O-N 3.28Å; T37-S200 PolarHBondContact O-OG 3.29Å; W198-S200 PolarHBondContact O-N 2.99Å; S200-T202 PolarHBondContact O-N 2.93Å; S200-H208 WeakPolarHBondContact CB-CD2 3.3Å; S200-H208 PolarHBondContact O-NE2 3.5Å
201	G	86.3	Confident	94.3	Very high	40 Å²	40	43.1 Å²	43.1	41%	0.412	24%	0.24	S	C	.	.			trans	-71.4	30.8	179.2	0	0	0	0	0	114.5	F199	F199-G201 VanDerWaalsContact CE1-O 3.26Å; F199-G201 WeakPolarHBondContact CE1-O 3.28Å
202	T	84	Confident	94.7	Very high	24 Å²	24	41.3 Å²	41.3	15%	0.147	23%	0.232	C	C	.	.	S	Bend	trans	-92.5	178.7	-179.9	69.8	0	0	0	0	111	L135 L136 F199 S200 Y204	L135-T202 HydrophobicContact CD1-CG2 3.45Å; L135-T202 VanDerWaalsContact CD1-CG2 3.45Å; L136-T202 WeakPolarHBondContact O-CG2 3.3Å; F199-T202 HydrophobicContact CD1-CG2 3.88Å; F199-T202 WeakPolarHBondContact O-CG2 3.49Å; S200-T202 PolarHBondContact O-N 2.93Å; T202-Y204 VanDerWaalsContact C-N 3.28Å; T202-Y204 WeakPolarHBondContact OG1-CD2 3.4Å; T202-Y204 PolarHBondContact OG1-N 3.3Å
203	H	87	Confident	95	Very high	78 Å²	78	39.6 Å²	39.6	36%	0.361	23%	0.228	S	C	.	.	S	Bend	trans	-84.4	1.9	174.8	69.9	-66.3	0	0	0	113.4	P138 A205	P138-H203 WeakPolarHBondContact CA-CE1 3.32Å; H203-A205 PolarHBondContact O-N 3.28Å
204	Y	93	Very high	95.2	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.055	23%	0.228	C	C	.	.			trans	-85.3	109.9	-178.6	-63.9	-71.6	0	0	0	110.9	L136 G137 L139 P152 C156 T202 V206 H208	L136-Y204 HydrophobicContact CB-CE2 4.19Å; L136-Y204 HydrophobicContact CD2-CE2 3.73Å; L136-Y204 HydrophobicContact CG-CE2 3.77Å; G137-Y204 PolarHBondContact O-OH 2.96Å; G137-Y204 VanDerWaalsContact O-OH 3.06Å; L139-Y204 WeakPolarHBondContact CG-OH 3.35Å; P152-Y204 HydrophobicContact CB-CD1 3.8Å; P152-Y204 HydrophobicContact CG-CD1 4.2Å; C156-Y204 VanDerWaalsContact SG-CG 3.55Å; T202-Y204 VanDerWaalsContact C-N 3.28Å; T202-Y204 WeakPolarHBondContact OG1-CD2 3.4Å; T202-Y204 PolarHBondContact OG1-N 3.3Å; Y204-V206 VanDerWaalsContact C-N 3.34Å; Y204-V206 PolarHBondContact O-N 3.15Å; Y204-H208 PolarHBondContact O-NE2 3.46Å
205	A	91.9	Very high	95.3	Very high	104 Å²	104	34 Å²	34	86%	0.86	20%	0.201	S	C	*	.			trans	-78.8	79.8	177	0	0	0	0	0	111.3	H203	H203-A205 PolarHBondContact O-N 3.28Å
206	V	95.7	Very high	95.4	Very high	31 Å²	31	33.9 Å²	33.9	19%	0.188	20%	0.197	C	C	.	.	S	Bend	trans	-132.3	157.7	177.1	-60.8	0	0	0	0	111	P152 Y204 H208 L211	P152-V206 HydrophobicContact CB-CG1 3.61Å; Y204-V206 VanDerWaalsContact C-N 3.34Å; Y204-V206 PolarHBondContact O-N 3.15Å; V206-H208 WeakPolarHBondContact CG2-CE1 3.17Å; V206-H208 WeakPolarHBondContact CG2-ND1 3.03Å; V206-H208 PolarHBondContact O-CD2 3.21Å; V206-H208 PolarHBondContact O-N 3.06Å; V206-L211 HydrophobicContact CG2-CD2 4.32Å
207	D	96.5	Very high	95.4	Very high	99 Å²	99	34.4 Å²	34.4	53%	0.529	20%	0.201	S	C	.	.			trans	-73	95.5	167.2	-177	-18.6	0	0	0	109	E209 K210 L211	D207-E209 VanDerWaalsContact C-N 3.31Å; D207-E209 PolarHBondContact O-N 3.24Å; D207-E209 PolarHBondContact OD1-N 2.6Å; D207-K210 HydrophobicContact CB-CB 3.95Å; D207-K210 VanDerWaalsContact CG-CB 3.41Å; D207-K210 PolarHBondContact O-N 3.2Å; D207-K210 PolarHBondContact OD1-N 3.21Å; D207-K210 WeakPolarHBondContact OD2-CB 3.44Å; D207-L211 VanDerWaalsContact O-CB 3.26Å; D207-L211 WeakPolarHBondContact O-CB 3.33Å; D207-L211 PolarHBondContact O-N 3.19Å
208	H	97.3	Very high	95.4	Very high	21 Å²	21	34.4 Å²	34.4	10%	0.097	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-29.1	-176.3	-70	-68.7	0	0	0	113.6	V36 W198 S200 Y204 V206 T212	V36-H208 HydrophobicContact CG1-CB 3.93Å; V36-H208 HydrophobicContact CG2-CB 4.22Å; V36-H208 WeakPolarHBondContact CG2-O 3.26Å; W198-H208 AromaticContact CD1-ND1 3.93Å; W198-H208 AromaticContact CE2-ND1 3.98Å; W198-H208 AromaticContact NE1-CE1 3.78Å; W198-H208 AromaticContact NE1-CG 3.82Å; W198-H208 AromaticContact NE1-ND1 3.02Å; W198-H208 PolarHBondContact NE1-ND1 3.41Å; S200-H208 WeakPolarHBondContact CB-CD2 3.3Å; S200-H208 PolarHBondContact O-NE2 3.5Å; Y204-H208 PolarHBondContact O-NE2 3.46Å; V206-H208 WeakPolarHBondContact CG2-CE1 3.17Å; V206-H208 WeakPolarHBondContact CG2-ND1 3.03Å; V206-H208 PolarHBondContact O-CD2 3.21Å; V206-H208 PolarHBondContact O-N 3.06Å; H208-T212 WeakPolarHBondContact O-CB 3.33Å; H208-T212 WeakPolarHBondContact O-CG2 3.32Å; H208-T212 PolarHBondContact O-N 3.03Å; H208-T212 PolarHBondContact O-OG1 3.37Å
209	E	97.4	Very high	95.4	Very high	121 Å²	121	34.5 Å²	34.5	57%	0.565	20%	0.201	S	C	*	.	H	α-helix	trans	-70.5	-45.5	176	-71.2	-68	173.8	0	0	110.3	V36 D207 T212 G213	V36-E209 WeakPolarHBondContact CB-OE1 3.33Å; V36-E209 HydrophobicContact CG2-CG 4.3Å; D207-E209 VanDerWaalsContact C-N 3.31Å; D207-E209 PolarHBondContact O-N 3.24Å; D207-E209 PolarHBondContact OD1-N 2.6Å; E209-T212 PolarHBondContact O-OG1 3.21Å; E209-T212 VanDerWaalsContact O-OG1 3.06Å; E209-G213 PolarHBondContact O-N 3.49Å; E209-G213 VanDerWaalsContact O-N 3.08Å
210	K	97.4	Very high	95.4	Very high	82 Å²	82	34 Å²	34	36%	0.357	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-44.8	174	-168.7	172.7	-166.3	178.8	0	111.5	D207 T212 G213 L214 Q561	D207-K210 HydrophobicContact CB-CB 3.95Å; D207-K210 VanDerWaalsContact CG-CB 3.41Å; D207-K210 PolarHBondContact O-N 3.2Å; D207-K210 PolarHBondContact OD1-N 3.21Å; D207-K210 WeakPolarHBondContact OD2-CB 3.44Å; K210-T212 PolarHBondContact O-N 2.87Å; K210-G213 PolarHBondContact O-N 2.89Å; K210-L214 HydrophobicContact CG-CD1 4.25Å; K210-L214 HydrophobicContact CG-CG 4.47Å; K210-L214 WeakPolarHBondContact O-CG 3.47Å; K210-L214 PolarHBondContact O-N 2.94Å; K210-Q561 WeakPolarHBondContact CD-O 3.45Å; K210-Q561 WeakPolarHBondContact CE-O 3.47Å; K210-Q561 PolarHBondContact NZ-O 3.41Å
211	L	97.9	Very high	95.6	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-57.5	-49.8	179.1	-178.5	80.3	0	0	0	112.1	C156 L157 L160 W198 V206 D207 G213 L214 A215 M562	C156-L211 HydrophobicContact CB-CD1 4.37Å; C156-L211 HydrophobicContact CB-CD2 3.39Å; C156-L211 HydrophobicContact CB-CG 4.5Å; L157-L211 HydrophobicContact CB-CD1 3.93Å; L157-L211 HydrophobicContact CD1-CD1 4.43Å; L160-L211 HydrophobicContact CD1-CD2 3.67Å; L160-L211 HydrophobicContact CD1-CG 3.82Å; W198-L211 HydrophobicContact CZ2-CD2 4.24Å; V206-L211 HydrophobicContact CG2-CD2 4.32Å; D207-L211 VanDerWaalsContact O-CB 3.26Å; D207-L211 WeakPolarHBondContact O-CB 3.33Å; D207-L211 PolarHBondContact O-N 3.19Å; L211-G213 VanDerWaalsContact C-N 3.33Å; L211-G213 PolarHBondContact O-N 3.34Å; L211-L214 PolarHBondContact O-N 3.4Å; L211-A215 WeakPolarHBondContact O-CB 3.38Å; L211-A215 PolarHBondContact O-N 3.22Å; L211-M562 HydrophobicContact CD1-CE 3.58Å
212	T	98.2	Very high	96.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-35.7	179.4	51.5	0	0	0	0	112.1	P34 V36 L160 W198 H208 E209 K210 A215 W216	P34-T212 HydrophobicContact CB-CG2 3.91Å; V36-T212 HydrophobicContact CG2-CG2 3.78Å; L160-T212 HydrophobicContact CD1-CG2 3.98Å; L160-T212 HydrophobicContact CD2-CG2 4.3Å; W198-T212 HydrophobicContact CB-CG2 3.78Å; W198-T212 HydrophobicContact CG-CG2 3.76Å; H208-T212 WeakPolarHBondContact O-CB 3.33Å; H208-T212 WeakPolarHBondContact O-CG2 3.32Å; H208-T212 PolarHBondContact O-N 3.03Å; H208-T212 PolarHBondContact O-OG1 3.37Å; E209-T212 PolarHBondContact O-OG1 3.21Å; E209-T212 VanDerWaalsContact O-OG1 3.06Å; K210-T212 PolarHBondContact O-N 2.87Å; T212-A215 PolarHBondContact O-N 3Å; T212-W216 WeakPolarHBondContact O-CB 3.48Å; T212-W216 PolarHBondContact O-N 3.22Å
213	G	98	Very high	96.8	Very high	13 Å²	13	30 Å²	30	13%	0.134	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-45.4	170.6	0	0	0	0	0	113.3	E209 K210 L211 W216 C217	E209-G213 PolarHBondContact O-N 3.49Å; E209-G213 VanDerWaalsContact O-N 3.08Å; K210-G213 PolarHBondContact O-N 2.89Å; L211-G213 VanDerWaalsContact C-N 3.33Å; L211-G213 PolarHBondContact O-N 3.34Å; G213-W216 PolarHBondContact O-N 3.07Å; G213-C217 PolarHBondContact O-N 2.71Å; G213-C217 PolarHBondContact O-SG 3.22Å
214	L	98.3	Very high	97.4	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-45.9	175.5	-68.9	172.7	0	0	0	111.5	K210 L211 W216 C217 L218 L349 L558 Q561 M562	K210-L214 HydrophobicContact CG-CD1 4.25Å; K210-L214 HydrophobicContact CG-CG 4.47Å; K210-L214 WeakPolarHBondContact O-CG 3.47Å; K210-L214 PolarHBondContact O-N 2.94Å; L211-L214 PolarHBondContact O-N 3.4Å; L214-W216 VanDerWaalsContact C-N 3.3Å; L214-W216 PolarHBondContact O-N 3.16Å; L214-C217 PolarHBondContact O-N 3.34Å; L214-C217 VanDerWaalsContact O-N 3.17Å; L214-L218 WeakPolarHBondContact O-CG 3.39Å; L214-L218 PolarHBondContact O-N 2.97Å; L214-L349 HydrophobicContact CD2-CD1 4.05Å; L214-L349 HydrophobicContact CD2-CD2 3.65Å; L214-L558 HydrophobicContact CD1-CD2 4.38Å; L214-L558 HydrophobicContact CD2-CD2 4.46Å; L214-Q561 HydrophobicContact CD1-CB 3.97Å; L214-Q561 HydrophobicContact CD2-CB 4.05Å; L214-Q561 HydrophobicContact CD2-CG 4.08Å; L214-M562 HydrophobicContact CD1-CE 4.43Å; L214-M562 HydrophobicContact CD1-CG 4.4Å; L214-M562 HydrophobicContact CD1-SD 3.4Å; L214-M562 WeakPolarHBondContact CD1-SD 3.32Å
215	A	98.5	Very high	97.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-44.4	177.3	0	0	0	0	0	111.9	L157 L160 L164 L211 T212 L218 E219	L157-A215 HydrophobicContact CD1-CB 3.6Å; L160-A215 HydrophobicContact CB-CB 3.77Å; L160-A215 HydrophobicContact CD1-CB 3.91Å; L160-A215 HydrophobicContact CG-CB 4.4Å; L164-A215 HydrophobicContact CD1-CB 4.12Å; L211-A215 WeakPolarHBondContact O-CB 3.38Å; L211-A215 PolarHBondContact O-N 3.22Å; T212-A215 PolarHBondContact O-N 3Å; A215-L218 PolarHBondContact O-N 3.16Å; A215-E219 WeakPolarHBondContact O-CB 3.42Å; A215-E219 PolarHBondContact O-N 3.49Å
216	W	98.3	Very high	97.9	Very high	33 Å²	33	21.1 Å²	21.1	13%	0.125	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-45.5	175.7	175.2	72.7	0	0	0	112.2	S31 R33 T212 G213 L214 L218 E219 E220 L348	S31-W216 PolarHBondContact O-NE1 2.7Å; S31-W216 PolarHBondContact OG-NE1 3.12Å; R33-W216 HydrophobicContact CB-CG 4.13Å; R33-W216 HydrophobicContact CG-CB 4.29Å; R33-W216 HydrophobicContact CG-CD2 4.39Å; R33-W216 HydrophobicContact CG-CG 4.03Å; T212-W216 WeakPolarHBondContact O-CB 3.48Å; T212-W216 PolarHBondContact O-N 3.22Å; G213-W216 PolarHBondContact O-N 3.07Å; L214-W216 VanDerWaalsContact C-N 3.3Å; L214-W216 PolarHBondContact O-N 3.16Å; W216-L218 VanDerWaalsContact C-N 3.34Å; W216-L218 PolarHBondContact O-N 3.32Å; W216-E219 PolarHBondContact O-N 2.98Å; W216-E220 HydrophobicContact CD2-CG 4.37Å; W216-E220 HydrophobicContact CZ2-CG 4.11Å; W216-E220 WeakPolarHBondContact O-CG 3.39Å; W216-E220 PolarHBondContact O-N 3.26Å; W216-L348 HydrophobicContact CH2-CD1 4.44Å; W216-L348 HydrophobicContact CH2-CD2 4.2Å; W216-L348 HydrophobicContact CZ3-CD1 4.31Å; W216-L348 HydrophobicContact CZ3-CD2 4.34Å
217	C	98.3	Very high	98	Very high	10 Å²	10	19.6 Å²	19.6	7%	0.068	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-39.4	179.2	-64.8	0	0	0	0	112.6	G213 L214 E220 G221 L348 L349	G213-C217 PolarHBondContact O-N 2.71Å; G213-C217 PolarHBondContact O-SG 3.22Å; L214-C217 PolarHBondContact O-N 3.34Å; L214-C217 VanDerWaalsContact O-N 3.17Å; C217-E220 PolarHBondContact O-N 3.41Å; C217-G221 PolarHBondContact O-N 3.32Å; C217-L348 HydrophobicContact CB-CB 4.16Å; C217-L348 HydrophobicContact CB-CD1 4.22Å; C217-L349 HydrophobicContact CB-CD1 4.31Å; C217-L349 HydrophobicContact CB-CD2 3.56Å; C217-L349 HydrophobicContact CB-CG 3.76Å; C217-L349 VanDerWaalsContact SG-CD2 3.5Å
218	L	98.7	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.3	-45.4	175.1	-67.5	176.9	0	0	0	111.3	L157 L161 L214 A215 W216 E220 G221 L222 V345 L550 A553 L558	L157-L218 HydrophobicContact CD1-CD1 4.23Å; L157-L218 HydrophobicContact CD2-CD1 3.88Å; L157-L218 HydrophobicContact CG-CD1 4.39Å; L161-L218 HydrophobicContact CD1-CD1 4.41Å; L161-L218 HydrophobicContact CD2-CB 4.02Å; L214-L218 WeakPolarHBondContact O-CG 3.39Å; L214-L218 PolarHBondContact O-N 2.97Å; A215-L218 PolarHBondContact O-N 3.16Å; W216-L218 VanDerWaalsContact C-N 3.34Å; W216-L218 PolarHBondContact O-N 3.32Å; L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.09Å; L218-G221 WeakPolarHBondContact O-CA 3.5Å; L218-G221 PolarHBondContact O-N 2.82Å; L218-G221 VanDerWaalsContact O-N 3.11Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 3.26Å; L218-V345 HydrophobicContact CD2-CG1 3.87Å; L218-V345 HydrophobicContact CD2-CG2 4.24Å; L218-L550 HydrophobicContact CB-CD2 4.13Å; L218-L550 HydrophobicContact CD1-CD2 4.05Å; L218-L550 HydrophobicContact CD2-CD2 4.35Å; L218-L550 HydrophobicContact CG-CD2 4.41Å; L218-A553 HydrophobicContact CD2-CB 3.47Å; L218-A553 VanDerWaalsContact CD2-CB 3.47Å; L218-L558 HydrophobicContact CD1-CD1 4.35Å; L218-L558 HydrophobicContact CD1-CD2 4.42Å
219	E	98.4	Very high	98.1	Very high	3 Å²	3	14 Å²	14	1%	0.014	7%	0.068	C	C	.	.	H	α-helix	trans	-61.3	-37.7	176	173.9	62.1	-164.6	0	0	111.9	L164 A215 W216 G221 L222 R223 R226	L164-E219 HydrophobicContact CB-CB 4.11Å; L164-E219 HydrophobicContact CB-CG 3.76Å; L164-E219 HydrophobicContact CD1-CB 3.72Å; L164-E219 HydrophobicContact CD1-CG 4.18Å; L164-E219 HydrophobicContact CD2-CG 4.34Å; L164-E219 HydrophobicContact CG-CB 4.37Å; L164-E219 HydrophobicContact CG-CG 4.3Å; A215-E219 WeakPolarHBondContact O-CB 3.42Å; A215-E219 PolarHBondContact O-N 3.49Å; W216-E219 PolarHBondContact O-N 2.98Å; E219-G221 VanDerWaalsContact C-N 3.27Å; E219-G221 PolarHBondContact O-N 2.85Å; E219-L222 CarbonylContact O-C 3.53Å; E219-L222 PolarHBondContact O-N 2.86Å; E219-L222 VanDerWaalsContact O-N 3.17Å; E219-R223 WeakPolarHBondContact O-CB 3.29Å; E219-R223 PolarHBondContact O-N 3.5Å; E219-R226 IonicContact OE1-NH1 3.45Å; E219-R226 PolarHBondContact OE1-NH1 3.48Å; E219-R226 IonicContact OE2-CZ 2.77Å; E219-R226 IonicContact OE2-NH1 3.41Å; E219-R226 PolarHBondContact OE2-NH1 2.98Å; E219-R226 IonicContact OE2-NH2 3.77Å
220	E	98.1	Very high	98.1	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-59.8	-39.3	174.3	-77.4	-60.8	97.3	0	0	112.1	S31 W216 C217 L218 R223 V224 K344 L348	S31-E220 WeakPolarHBondContact CA-OE1 3.24Å; S31-E220 WeakPolarHBondContact CB-OE1 3.34Å; S31-E220 PolarHBondContact N-OE1 2.74Å; S31-E220 PolarHBondContact OG-OE1 3.22Å; W216-E220 HydrophobicContact CD2-CG 4.37Å; W216-E220 HydrophobicContact CZ2-CG 4.11Å; W216-E220 WeakPolarHBondContact O-CG 3.39Å; W216-E220 PolarHBondContact O-N 3.26Å; C217-E220 PolarHBondContact O-N 3.41Å; L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.09Å; E220-R223 IonicContact OE1-CZ 2.61Å; E220-R223 IonicContact OE1-NE 3.48Å; E220-R223 PolarHBondContact OE1-NE 3.41Å; E220-R223 IonicContact OE1-NH2 2.71Å; E220-R223 IonicContact OE2-CZ 2.89Å; E220-R223 IonicContact OE2-NE 3.34Å; E220-R223 PolarHBondContact OE2-NE 3.5Å; E220-R223 IonicContact OE2-NH2 2.72Å; E220-R223 PolarHBondContact OE2-NH2 3.19Å; E220-V224 WeakPolarHBondContact O-CG2 3.46Å; E220-V224 PolarHBondContact O-N 3.43Å; E220-K344 HydrophobicContact CB-CG 4.16Å; E220-L348 HydrophobicContact CB-CD1 3.54Å; E220-L348 HydrophobicContact CG-CD1 3.87Å
221	G	98.5	Very high	98	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.8	-46.8	171.6	0	0	0	0	0	113	C217 L218 E219 R223 V224 A225 G341	C217-G221 PolarHBondContact O-N 3.32Å; L218-G221 WeakPolarHBondContact O-CA 3.5Å; L218-G221 PolarHBondContact O-N 2.82Å; L218-G221 VanDerWaalsContact O-N 3.11Å; E219-G221 VanDerWaalsContact C-N 3.27Å; E219-G221 PolarHBondContact O-N 2.85Å; G221-R223 VanDerWaalsContact C-N 3.33Å; G221-R223 PolarHBondContact O-N 3.22Å; G221-V224 PolarHBondContact O-N 3.37Å; G221-A225 PolarHBondContact O-N 3.28Å; G221-G341 WeakPolarHBondContact CA-O 3.41Å; G221-G341 WeakPolarHBondContact O-CA 3.33Å
222	L	98.6	Very high	97.8	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-63.4	-39.4	177.5	-64.4	171.7	0	0	0	111.8	L161 L218 E219 A225 R226 I549 L550	L161-L222 HydrophobicContact CD2-CD1 4.2Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 3.26Å; E219-L222 CarbonylContact O-C 3.53Å; E219-L222 PolarHBondContact O-N 2.86Å; E219-L222 VanDerWaalsContact O-N 3.17Å; L222-A225 PolarHBondContact O-N 2.81Å; L222-R226 WeakPolarHBondContact O-CB 3.32Å; L222-R226 WeakPolarHBondContact O-CD 3.48Å; L222-R226 WeakPolarHBondContact O-CG 3.31Å; L222-R226 PolarHBondContact O-N 3.09Å; L222-I549 HydrophobicContact CD2-CB 3.96Å; L222-I549 HydrophobicContact CD2-CD1 4.24Å; L222-I549 HydrophobicContact CD2-CG2 4.26Å; L222-L550 HydrophobicContact CD1-CD1 4.33Å; L222-L550 HydrophobicContact CD1-CD2 4.08Å; L222-L550 HydrophobicContact CD1-CG 4.32Å; L222-L550 HydrophobicContact CD2-CG 4.27Å
223	R	97.6	Very high	97.7	Very high	6 Å²	6	8.3 Å²	8.3	2%	0.023	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-50.1	175.4	-178.4	-166.9	59.1	73.2	-10.1	110.5	R29 Y168 E219 E220 G221 A225 R226 D227 Y244 E248	R29-R223 WeakPolarHBondContact O-CD 3.4Å; R29-R223 PolarHBondContact O-NE 2.91Å; R29-R223 PolarHBondContact O-NH1 3.33Å; R29-R223 VanDerWaalsContact O-NH1 3.15Å; R29-R223 PolarHBondContact O-NH2 3.02Å; Y168-R223 HydrophobicContact CD2-CB 4.48Å; Y168-R223 HydrophobicContact CD2-CG 4.08Å; Y168-R223 HydrophobicContact CE2-CG 3.96Å; E219-R223 WeakPolarHBondContact O-CB 3.29Å; E219-R223 PolarHBondContact O-N 3.5Å; E220-R223 IonicContact OE1-CZ 2.61Å; E220-R223 IonicContact OE1-NE 3.48Å; E220-R223 PolarHBondContact OE1-NE 3.41Å; E220-R223 IonicContact OE1-NH2 2.71Å; E220-R223 IonicContact OE2-CZ 2.89Å; E220-R223 IonicContact OE2-NE 3.34Å; E220-R223 PolarHBondContact OE2-NE 3.5Å; E220-R223 IonicContact OE2-NH2 2.72Å; E220-R223 PolarHBondContact OE2-NH2 3.19Å; G221-R223 VanDerWaalsContact C-N 3.33Å; G221-R223 PolarHBondContact O-N 3.22Å; R223-A225 VanDerWaalsContact C-N 3.27Å; R223-A225 PolarHBondContact O-N 3.11Å; R223-R226 PolarHBondContact O-N 3.15Å; R223-R226 VanDerWaalsContact O-N 3.1Å; R223-D227 IonicContact NH1-OD2 2.86Å; R223-D227 PolarHBondContact NH1-OD2 2.95Å; R223-D227 WeakPolarHBondContact O-CB 3.37Å; R223-D227 PolarHBondContact O-N 3.45Å; R223-D227 VanDerWaalsContact O-OD2 3.13Å; R223-Y244 PolarHBondContact NH1-OH 3.17Å; R223-E248 IonicContact CZ-OE2 3.89Å; R223-E248 IonicContact NH1-OE2 3.28Å; R223-E248 IonicContact NH2-OE1 3.92Å; R223-E248 IonicContact NH2-OE2 3.27Å; R223-E248 PolarHBondContact NH2-OE2 3.43Å
224	V	98.3	Very high	97.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-55.7	-43.9	174.6	163.6	0	0	0	0	111.4	E220 G221 D227 I228 Y244 L245 E248 A340 K344	E220-V224 WeakPolarHBondContact O-CG2 3.46Å; E220-V224 PolarHBondContact O-N 3.43Å; G221-V224 PolarHBondContact O-N 3.37Å; V224-D227 PolarHBondContact O-N 2.95Å; V224-I228 HydrophobicContact CG1-CD1 4Å; V224-I228 WeakPolarHBondContact O-CG1 3.39Å; V224-I228 PolarHBondContact O-N 2.96Å; V224-Y244 HydrophobicContact CG1-CE1 4.23Å; V224-Y244 HydrophobicContact CG2-CE1 4.41Å; V224-L245 HydrophobicContact CG1-CD2 4.33Å; V224-E248 HydrophobicContact CG2-CB 4.3Å; V224-E248 HydrophobicContact CG2-CG 4.11Å; V224-A340 HydrophobicContact CG1-CB 4.4Å; V224-K344 HydrophobicContact CB-CB 4.44Å; V224-K344 HydrophobicContact CG2-CB 4.16Å; V224-K344 HydrophobicContact CG2-CD 4.49Å; V224-K344 HydrophobicContact CG2-CG 3.92Å
225	A	98.6	Very high	97.4	Very high	3 Å²	3	13 Å²	13	3%	0.025	7%	0.065	C	C	.	.	H	α-helix	trans	-66.6	-38	176.9	0	0	0	0	0	112.9	G221 L222 R223 G229 A337 I549	G221-A225 PolarHBondContact O-N 3.28Å; L222-A225 PolarHBondContact O-N 2.81Å; R223-A225 VanDerWaalsContact C-N 3.27Å; R223-A225 PolarHBondContact O-N 3.11Å; A225-G229 WeakPolarHBondContact O-CA 3.39Å; A225-G229 PolarHBondContact O-N 3.36Å; A225-A337 HydrophobicContact CB-CB 4.35Å; A225-A337 WeakPolarHBondContact CB-O 3.45Å; A225-A337 WeakPolarHBondContact O-CB 3.38Å; A225-I549 HydrophobicContact CB-CD1 3.57Å
226	R	98.1	Very high	97.4	Very high	6 Å²	6	13.2 Å²	13.2	2%	0.023	7%	0.066	C	C	.	.	H	α-helix	trans	-68.8	-38.9	176.1	-72.3	164.6	-171.3	147.6	9.1	112.3	H165 Y168 E219 L222 R223 G230 I543 P544 T545	H165-R226 PolarHBondContact ND1-NH2 3.37Å; Y168-R226 HydrophobicContact CD2-CB 4.36Å; Y168-R226 HydrophobicContact CE1-CB 4.08Å; Y168-R226 HydrophobicContact CE2-CB 3.62Å; Y168-R226 HydrophobicContact CE2-CG 4.43Å; Y168-R226 VanDerWaalsContact CZ-CB 3.45Å; Y168-R226 WeakPolarHBondContact OH-CB 3.44Å; E219-R226 IonicContact OE1-NH1 3.45Å; E219-R226 PolarHBondContact OE1-NH1 3.48Å; E219-R226 IonicContact OE2-CZ 2.77Å; E219-R226 IonicContact OE2-NH1 3.41Å; E219-R226 PolarHBondContact OE2-NH1 2.98Å; E219-R226 IonicContact OE2-NH2 3.77Å; L222-R226 WeakPolarHBondContact O-CB 3.32Å; L222-R226 WeakPolarHBondContact O-CD 3.48Å; L222-R226 WeakPolarHBondContact O-CG 3.31Å; L222-R226 PolarHBondContact O-N 3.09Å; R223-R226 PolarHBondContact O-N 3.15Å; R223-R226 VanDerWaalsContact O-N 3.1Å; R226-G230 WeakPolarHBondContact O-CA 3.43Å; R226-G230 PolarHBondContact O-N 2.77Å; R226-I543 HydrophobicContact CG-CG2 4.18Å; R226-P544 HydrophobicContact CB-CB 4.44Å; R226-P544 HydrophobicContact CB-CG 4.37Å; R226-P544 HydrophobicContact CG-CB 3.93Å; R226-P544 HydrophobicContact CG-CG 4.31Å; R226-P544 WeakPolarHBondContact CG-O 3.43Å; R226-P544 PolarHBondContact NE-O 3.15Å; R226-T545 PolarHBondContact NH2-O 3.18Å
227	D	97.5	Very high	97.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.3	-51.1	177	-69.4	-30.1	0	0	0	109.9	Y168 L171 R174 R223 V224 S231 M236 Y244	Y168-D227 PolarHBondContact OH-OD1 3.25Å; Y168-D227 VanDerWaalsContact OH-OD1 3.11Å; L171-D227 HydrophobicContact CB-CB 4.38Å; L171-D227 HydrophobicContact CD2-CB 4.32Å; R174-D227 IonicContact CZ-OD1 3.48Å; R174-D227 IonicContact CZ-OD2 3.87Å; R174-D227 IonicContact NH2-OD1 3Å; R174-D227 PolarHBondContact NH2-OD1 2.95Å; R174-D227 IonicContact NH2-OD2 2.87Å; R174-D227 PolarHBondContact NH2-OD2 3.33Å; R223-D227 IonicContact NH1-OD2 2.86Å; R223-D227 PolarHBondContact NH1-OD2 2.95Å; R223-D227 WeakPolarHBondContact O-CB 3.37Å; R223-D227 PolarHBondContact O-N 3.45Å; R223-D227 VanDerWaalsContact O-OD2 3.13Å; V224-D227 PolarHBondContact O-N 2.95Å; D227-S231 WeakPolarHBondContact O-CB 3.34Å; D227-S231 PolarHBondContact O-N 3.2Å; D227-S231 PolarHBondContact O-OG 3.11Å; D227-M236 HydrophobicContact CB-CE 4.43Å; D227-Y244 HydrophobicContact CB-CE1 4.32Å; D227-Y244 PolarHBondContact OD2-OH 3.43Å
228	I	98.4	Very high	97.4	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-68.3	-63	178.3	-64.5	166.1	0	0	0	109.7	V224 G230 M236 I241 Y244 L245 K333 A337 A340	V224-I228 HydrophobicContact CG1-CD1 4Å; V224-I228 WeakPolarHBondContact O-CG1 3.39Å; V224-I228 PolarHBondContact O-N 2.96Å; I228-G230 PolarHBondContact O-N 2.87Å; I228-G230 VanDerWaalsContact O-N 3.13Å; I228-M236 HydrophobicContact CB-SD 4.47Å; I228-M236 HydrophobicContact CG1-CE 4.23Å; I228-M236 HydrophobicContact CG1-SD 4.05Å; I228-I241 HydrophobicContact CD1-CG2 4.27Å; I228-I241 HydrophobicContact CG2-CD1 3.93Å; I228-I241 HydrophobicContact CG2-CG1 4.05Å; I228-I241 HydrophobicContact CG2-CG2 4.35Å; I228-Y244 HydrophobicContact CD1-CD1 4.07Å; I228-Y244 HydrophobicContact CD1-CE1 4.18Å; I228-Y244 HydrophobicContact CG1-CD1 3.9Å; I228-Y244 HydrophobicContact CG1-CE1 3.99Å; I228-L245 HydrophobicContact CD1-CD2 3.73Å; I228-L245 HydrophobicContact CD1-CG 4.28Å; I228-K333 HydrophobicContact CG2-CG 4.46Å; I228-K333 WeakPolarHBondContact O-CE 3.34Å; I228-A337 HydrophobicContact CB-CB 3.79Å; I228-A337 HydrophobicContact CG2-CB 3.72Å; I228-A340 HydrophobicContact CD1-CB 3.96Å
229	G	97.5	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.5	-25.7	-172	0	0	0	0	0	113.5	A225 R331 C334	A225-G229 WeakPolarHBondContact O-CA 3.39Å; A225-G229 PolarHBondContact O-N 3.36Å; G229-R331 VanDerWaalsContact O-CD 3.23Å; G229-R331 WeakPolarHBondContact O-CD 3.48Å; G229-C334 VanDerWaalsContact CA-SG 3.57Å
230	G	96.2	Very high	97.3	Very high	12 Å²	12	21.4 Å²	21.4	12%	0.124	11%	0.105	C	C	.	.	H	α-helix	trans	-107.7	-13.6	-172.8	0	0	0	0	0	119.3	R226 I228 R331	R226-G230 WeakPolarHBondContact O-CA 3.43Å; R226-G230 PolarHBondContact O-N 2.77Å; I228-G230 PolarHBondContact O-N 2.87Å; I228-G230 VanDerWaalsContact O-N 3.13Å; G230-R331 PolarHBondContact O-NH1 3.46Å
231	S	95.3	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-74.5	159.1	176	-58.8	0	0	0	0	112.1	L171 E172 D227 H330 K333	L171-S231 WeakPolarHBondContact CB-OG 3.5Å; E172-S231 WeakPolarHBondContact OE1-CA 3.46Å; E172-S231 WeakPolarHBondContact OE1-CB 3.45Å; E172-S231 PolarHBondContact OE1-OG 3.25Å; D227-S231 WeakPolarHBondContact O-CB 3.34Å; D227-S231 PolarHBondContact O-N 3.2Å; D227-S231 PolarHBondContact O-OG 3.11Å; S231-H330 PolarHBondContact O-CD2 2.92Å; S231-K333 PolarHBondContact O-NZ 2.83Å
232	D	95	Very high	97.3	Very high	54 Å²	54	21.8 Å²	21.8	29%	0.289	11%	0.107	S	C	.	.			trans	-54.4	153.1	173	88.9	66.7	0	0	0	111.6	E172 E234 R235 M236	E172-D232 PolarHBondContact OE1-N 2.85Å; D232-E234 PolarHBondContact O-N 2.78Å; D232-E234 WeakPolarHBondContact OD1-CA 3.35Å; D232-E234 WeakPolarHBondContact OD1-CB 3.46Å; D232-E234 PolarHBondContact OD1-N 2.79Å; D232-R235 PolarHBondContact O-N 2.95Å; D232-R235 PolarHBondContact OD1-N 2.86Å; D232-R235 WeakPolarHBondContact OD2-CB 3.49Å; D232-R235 IonicContact OD2-CZ 2.73Å; D232-R235 IonicContact OD2-NH1 2.74Å; D232-R235 PolarHBondContact OD2-NH1 3.22Å; D232-R235 IonicContact OD2-NH2 2.68Å; D232-M236 PolarHBondContact O-N 3.24Å
233	P	96.2	Very high	97.3	Very high	22 Å²	22	24 Å²	24	14%	0.143	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.1	-171.5	30	-36.4	0	0	0	114.1	M236 S237 T312 Y313 H330	P233-M236 CarbonylContact O-C 3.36Å; P233-S237 WeakPolarHBondContact O-CA 3.43Å; P233-S237 PolarHBondContact O-N 3.37Å; P233-S237 VanDerWaalsContact O-N 3.09Å; P233-T312 WeakPolarHBondContact CB-O 3.43Å; P233-Y313 HydrophobicContact CB-CD2 3.74Å; P233-Y313 HydrophobicContact CB-CG 4.11Å; P233-Y313 HydrophobicContact CG-CD2 3.63Å; P233-Y313 HydrophobicContact CG-CE2 4.16Å; P233-Y313 HydrophobicContact CG-CG 4.27Å; P233-H330 HydrophobicContact CB-CB 4.32Å; P233-H330 HydrophobicContact CG-CB 4.34Å
234	E	95.2	Very high	97.3	Very high	51 Å²	51	24.8 Å²	24.8	24%	0.238	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-43	177.1	-60.4	-56.4	151.6	0	0	111.3	D232 M236 N240 R278 H279 R364	D232-E234 PolarHBondContact O-N 2.78Å; D232-E234 WeakPolarHBondContact OD1-CA 3.35Å; D232-E234 WeakPolarHBondContact OD1-CB 3.46Å; D232-E234 PolarHBondContact OD1-N 2.79Å; E234-M236 VanDerWaalsContact C-N 3.29Å; E234-M236 PolarHBondContact O-N 3.35Å; E234-N240 PolarHBondContact O-ND2 3.29Å; E234-R278 IonicContact OE2-CZ 3.53Å; E234-R278 IonicContact OE2-NE 2.7Å; E234-R278 PolarHBondContact OE2-NE 3.05Å; E234-R278 IonicContact OE2-NH2 3.42Å; E234-R278 PolarHBondContact OE2-NH2 3.22Å; E234-H279 VanDerWaalsContact CD-NE2 3.32Å; E234-H279 IonicContact OE1-CE1 2.65Å; E234-H279 PolarHBondContact OE1-CE1 3.22Å; E234-H279 IonicContact OE1-NE2 2.82Å; E234-H279 PolarHBondContact OE1-NE2 2.77Å; E234-H279 IonicContact OE2-CD2 2.81Å; E234-H279 IonicContact OE2-CE1 3.33Å; E234-H279 IonicContact OE2-NE2 3.01Å; E234-H279 PolarHBondContact OE2-NE2 2.78Å; E234-R364 IonicContact OE1-CZ 2.99Å; E234-R364 IonicContact OE1-NH1 3.6Å; E234-R364 PolarHBondContact OE1-NH1 2.95Å
235	R	94.8	Very high	97.3	Very high	67 Å²	67	24.8 Å²	24.8	25%	0.253	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-44.1	170.8	-176.4	173.6	-70.8	90.3	15.7	110.9	L171 E172 E175 D232 N240	L171-R235 HydrophobicContact CD2-CG 4.11Å; E172-R235 VanDerWaalsContact CG-NH1 3.3Å; E172-R235 IonicContact OE1-CZ 2.69Å; E172-R235 IonicContact OE1-NH1 3.61Å; E172-R235 PolarHBondContact OE1-NH1 3.25Å; E175-R235 WeakPolarHBondContact OE2-CD 3.49Å; E175-R235 IonicContact OE2-NE 2.69Å; E175-R235 PolarHBondContact OE2-NE 3.03Å; D232-R235 PolarHBondContact O-N 2.95Å; D232-R235 PolarHBondContact OD1-N 2.86Å; D232-R235 WeakPolarHBondContact OD2-CB 3.49Å; D232-R235 IonicContact OD2-CZ 2.73Å; D232-R235 IonicContact OD2-NH1 2.74Å; D232-R235 PolarHBondContact OD2-NH1 3.22Å; D232-R235 IonicContact OD2-NH2 2.68Å; R235-N240 WeakPolarHBondContact O-CB 3.19Å; R235-N240 PolarHBondContact O-ND2 2.82Å
236	M	97.2	Very high	97.2	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.02	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	57.5	176.9	-73.2	-68.7	176.7	0	0	112.2	L171 D227 I228 D232 P233 E234 I241 Y244	L171-M236 HydrophobicContact CD2-CE 3.27Å; D227-M236 HydrophobicContact CB-CE 4.43Å; I228-M236 HydrophobicContact CB-SD 4.47Å; I228-M236 HydrophobicContact CG1-CE 4.23Å; I228-M236 HydrophobicContact CG1-SD 4.05Å; D232-M236 PolarHBondContact O-N 3.24Å; P233-M236 CarbonylContact O-C 3.36Å; E234-M236 VanDerWaalsContact C-N 3.29Å; E234-M236 PolarHBondContact O-N 3.35Å; M236-I241 HydrophobicContact CB-CD1 4.39Å; M236-I241 HydrophobicContact CB-CG1 4.05Å; M236-I241 HydrophobicContact CG-CG1 4.47Å; M236-I241 HydrophobicContact SD-CG1 3.66Å; M236-Y244 HydrophobicContact CE-CD1 3.96Å; M236-Y244 HydrophobicContact CE-CD2 3.75Å; M236-Y244 HydrophobicContact CE-CE1 4.33Å; M236-Y244 HydrophobicContact CE-CE2 4.17Å; M236-Y244 HydrophobicContact CE-CG 3.67Å
237	S	97.9	Very high	97.1	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.042	17%	0.168	C	C	.	.			trans	-71.7	164.3	162.8	68.4	0	0	0	0	110.7	P233 K239 N240 I241	P233-S237 WeakPolarHBondContact O-CA 3.43Å; P233-S237 PolarHBondContact O-N 3.37Å; P233-S237 VanDerWaalsContact O-N 3.09Å; S237-K239 VanDerWaalsContact C-N 3.32Å; S237-K239 PolarHBondContact O-N 2.87Å; S237-N240 PolarHBondContact O-N 2.91Å; S237-N240 VanDerWaalsContact OG-CG 3.29Å; S237-N240 PolarHBondContact OG-N 2.99Å; S237-N240 PolarHBondContact OG-ND2 3.03Å; S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 3.42Å
238	A	98.5	Very high	97	Very high	2 Å²	2	34.9 Å²	34.9	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-55.4	-45.1	-176.6	0	0	0	0	0	112.5	I241 V242 R282 T312 L362	A238-I241 PolarHBondContact O-N 2.75Å; A238-V242 PolarHBondContact O-N 3.49Å; A238-R282 HydrophobicContact CB-CB 4.06Å; A238-R282 HydrophobicContact CB-CG 3.59Å; A238-T312 HydrophobicContact CB-CG2 4.32Å; A238-L362 HydrophobicContact CB-CB 3.78Å
239	K	98	Very high	97	Very high	143 Å²	143	35.2 Å²	35.2	62%	0.622	17%	0.172	S	C	*	.	H	α-helix	trans	-62.9	-40.8	175.5	-179.2	-179.9	178	178.5	0	112.8	S237 V242 T243	S237-K239 VanDerWaalsContact C-N 3.32Å; S237-K239 PolarHBondContact O-N 2.87Å; K239-V242 PolarHBondContact O-N 3.11Å; K239-T243 PolarHBondContact O-N 3.13Å; K239-T243 VanDerWaalsContact O-N 3.09Å; K239-T243 PolarHBondContact O-OG1 3.08Å; K239-T243 VanDerWaalsContact O-OG1 3.09Å
240	N	97.5	Very high	96.8	Very high	67 Å²	67	39.2 Å²	39.2	36%	0.358	20%	0.196	S	C	.	.	H	α-helix	trans	-73	-34.4	-178.5	-69.4	-10.6	0	0	0	111.8	E234 R235 S237 V242 T243 Y244	E234-N240 PolarHBondContact O-ND2 3.29Å; R235-N240 WeakPolarHBondContact O-CB 3.19Å; R235-N240 PolarHBondContact O-ND2 2.82Å; S237-N240 PolarHBondContact O-N 2.91Å; S237-N240 VanDerWaalsContact OG-CG 3.29Å; S237-N240 PolarHBondContact OG-N 2.99Å; S237-N240 PolarHBondContact OG-ND2 3.03Å; N240-V242 VanDerWaalsContact C-N 3.33Å; N240-V242 PolarHBondContact O-N 3.28Å; N240-T243 PolarHBondContact O-N 3.44Å; N240-Y244 VanDerWaalsContact O-CB 3.25Å; N240-Y244 WeakPolarHBondContact O-CB 3.39Å; N240-Y244 PolarHBondContact O-N 2.84Å
241	I	98.6	Very high	96.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-44.4	171.3	-67	166.6	0	0	0	110.1	I228 M236 S237 A238 T243 Y244 L245 T312 K333 L362	I228-I241 HydrophobicContact CD1-CG2 4.27Å; I228-I241 HydrophobicContact CG2-CD1 3.93Å; I228-I241 HydrophobicContact CG2-CG1 4.05Å; I228-I241 HydrophobicContact CG2-CG2 4.35Å; M236-I241 HydrophobicContact CB-CD1 4.39Å; M236-I241 HydrophobicContact CB-CG1 4.05Å; M236-I241 HydrophobicContact CG-CG1 4.47Å; M236-I241 HydrophobicContact SD-CG1 3.66Å; S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 3.42Å; A238-I241 PolarHBondContact O-N 2.75Å; I241-T243 PolarHBondContact O-N 2.94Å; I241-Y244 WeakPolarHBondContact O-CB 3.5Å; I241-Y244 PolarHBondContact O-N 3.19Å; I241-L245 HydrophobicContact CG2-CD1 3.9Å; I241-L245 HydrophobicContact CG2-CG 4.24Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 VanDerWaalsContact O-CG 3.31Å; I241-L245 WeakPolarHBondContact O-CG 3.47Å; I241-L245 PolarHBondContact O-N 2.92Å; I241-T312 HydrophobicContact CD1-CG2 3.95Å; I241-K333 HydrophobicContact CD1-CD 4.34Å; I241-L362 HydrophobicContact CB-CD1 3.92Å; I241-L362 HydrophobicContact CD1-CD1 4.42Å; I241-L362 HydrophobicContact CD1-CD2 4.16Å; I241-L362 HydrophobicContact CG2-CD1 3.62Å; I241-L362 HydrophobicContact CG2-CD2 4.33Å
242	V	98.6	Very high	96.6	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-50.2	174.4	169.9	0	0	0	0	111.4	A238 K239 N240 Y244 L245 Q246 F255 D257 R282 V284 L362	A238-V242 PolarHBondContact O-N 3.49Å; K239-V242 PolarHBondContact O-N 3.11Å; N240-V242 VanDerWaalsContact C-N 3.33Å; N240-V242 PolarHBondContact O-N 3.28Å; V242-Y244 VanDerWaalsContact C-N 3.26Å; V242-Y244 PolarHBondContact O-N 2.73Å; V242-L245 PolarHBondContact O-N 3.27Å; V242-Q246 WeakPolarHBondContact O-CG 3.23Å; V242-Q246 PolarHBondContact O-N 2.87Å; V242-F255 HydrophobicContact CB-CZ 4.44Å; V242-F255 HydrophobicContact CG1-CE1 4.01Å; V242-F255 HydrophobicContact CG1-CZ 3.89Å; V242-D257 HydrophobicContact CG1-CB 4.26Å; V242-D257 HydrophobicContact CG2-CB 4.36Å; V242-R282 HydrophobicContact CG2-CB 4.22Å; V242-R282 HydrophobicContact CG2-CG 4.25Å; V242-V284 HydrophobicContact CG2-CG2 3.62Å; V242-L362 HydrophobicContact CG2-CD1 4.42Å
243	T	97.7	Very high	96.7	Very high	52 Å²	52	44.7 Å²	44.7	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-37.1	179.4	-56.1	0	0	0	0	111.9	K239 N240 I241 K247	K239-T243 PolarHBondContact O-N 3.13Å; K239-T243 VanDerWaalsContact O-N 3.09Å; K239-T243 PolarHBondContact O-OG1 3.08Å; K239-T243 VanDerWaalsContact O-OG1 3.09Å; N240-T243 PolarHBondContact O-N 3.44Å; I241-T243 PolarHBondContact O-N 2.94Å; T243-K247 WeakPolarHBondContact O-CD 3.45Å; T243-K247 WeakPolarHBondContact O-CG 3.23Å
244	Y	97.3	Very high	96.8	Very high	21 Å²	21	48.4 Å²	48.4	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-68	-46.2	176.5	179.6	-97.6	0	0	0	111.3	R223 V224 D227 I228 M236 N240 I241 V242 Q246 K247 E248	R223-Y244 PolarHBondContact NH1-OH 3.17Å; V224-Y244 HydrophobicContact CG1-CE1 4.23Å; V224-Y244 HydrophobicContact CG2-CE1 4.41Å; D227-Y244 HydrophobicContact CB-CE1 4.32Å; D227-Y244 PolarHBondContact OD2-OH 3.43Å; I228-Y244 HydrophobicContact CD1-CD1 4.07Å; I228-Y244 HydrophobicContact CD1-CE1 4.18Å; I228-Y244 HydrophobicContact CG1-CD1 3.9Å; I228-Y244 HydrophobicContact CG1-CE1 3.99Å; M236-Y244 HydrophobicContact CE-CD1 3.96Å; M236-Y244 HydrophobicContact CE-CD2 3.75Å; M236-Y244 HydrophobicContact CE-CE1 4.33Å; M236-Y244 HydrophobicContact CE-CE2 4.17Å; M236-Y244 HydrophobicContact CE-CG 3.67Å; N240-Y244 VanDerWaalsContact O-CB 3.25Å; N240-Y244 WeakPolarHBondContact O-CB 3.39Å; N240-Y244 PolarHBondContact O-N 2.84Å; I241-Y244 WeakPolarHBondContact O-CB 3.5Å; I241-Y244 PolarHBondContact O-N 3.19Å; V242-Y244 VanDerWaalsContact C-N 3.26Å; V242-Y244 PolarHBondContact O-N 2.73Å; Y244-Q246 PolarHBondContact O-N 2.78Å; Y244-K247 VanDerWaalsContact O-CB 3.32Å; Y244-K247 WeakPolarHBondContact O-CB 3.46Å; Y244-K247 PolarHBondContact O-N 2.55Å; Y244-K247 VanDerWaalsContact O-N 3.11Å; Y244-E248 HydrophobicContact CD1-CG 4.14Å; Y244-E248 HydrophobicContact CE1-CG 3.66Å; Y244-E248 HydrophobicContact CE2-CG 4.09Å; Y244-E248 WeakPolarHBondContact O-CG 3.48Å; Y244-E248 PolarHBondContact O-N 3.19Å; Y244-E248 VanDerWaalsContact O-N 3.13Å
245	L	98.3	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-37.9	179.8	-69.6	177.4	0	0	0	113.3	V224 I228 I241 V242 K247 E248 L249 F255 A340 L360	V224-L245 HydrophobicContact CG1-CD2 4.33Å; I228-L245 HydrophobicContact CD1-CD2 3.73Å; I228-L245 HydrophobicContact CD1-CG 4.28Å; I241-L245 HydrophobicContact CG2-CD1 3.9Å; I241-L245 HydrophobicContact CG2-CG 4.24Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 VanDerWaalsContact O-CG 3.31Å; I241-L245 WeakPolarHBondContact O-CG 3.47Å; I241-L245 PolarHBondContact O-N 2.92Å; V242-L245 PolarHBondContact O-N 3.27Å; L245-K247 PolarHBondContact O-N 2.94Å; L245-K247 VanDerWaalsContact O-N 3.15Å; L245-E248 PolarHBondContact O-N 2.87Å; L245-E248 VanDerWaalsContact O-N 3.1Å; L245-L249 HydrophobicContact CB-CD1 4.33Å; L245-L249 HydrophobicContact CD2-CD1 4.19Å; L245-L249 WeakPolarHBondContact O-CB 3.4Å; L245-L249 PolarHBondContact O-N 3.33Å; L245-F255 HydrophobicContact CB-CD2 4.28Å; L245-F255 HydrophobicContact CB-CE2 3.52Å; L245-F255 HydrophobicContact CB-CZ 4.24Å; L245-F255 HydrophobicContact CD1-CE2 4.13Å; L245-F255 HydrophobicContact CG-CE2 4.49Å; L245-A340 HydrophobicContact CD1-CB 4.24Å; L245-A340 HydrophobicContact CD2-CB 3.69Å; L245-L360 HydrophobicContact CD1-CD1 3.72Å
246	Q	97.2	Very high	97.1	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-25.3	173.3	-73.6	172.2	-21.8	0	0	113	V242 Y244 F255	V242-Q246 WeakPolarHBondContact O-CG 3.23Å; V242-Q246 PolarHBondContact O-N 2.87Å; Y244-Q246 PolarHBondContact O-N 2.78Å; Q246-F255 HydrophobicContact CG-CD1 3.87Å; Q246-F255 HydrophobicContact CG-CE1 3.57Å; Q246-F255 HydrophobicContact CG-CZ 4Å
247	K	95.6	Very high	97.1	Very high	111 Å²	111	51.2 Å²	51.2	48%	0.483	26%	0.259	S	S	.	.	H	α-helix	trans	-86.4	-30.9	177.1	-76.7	166.9	-179.3	177.9	0	112.9	T243 Y244 L245	T243-K247 WeakPolarHBondContact O-CD 3.45Å; T243-K247 WeakPolarHBondContact O-CG 3.23Å; Y244-K247 VanDerWaalsContact O-CB 3.32Å; Y244-K247 WeakPolarHBondContact O-CB 3.46Å; Y244-K247 PolarHBondContact O-N 2.55Å; Y244-K247 VanDerWaalsContact O-N 3.11Å; L245-K247 PolarHBondContact O-N 2.94Å; L245-K247 VanDerWaalsContact O-N 3.15Å
248	E	96.3	Very high	97.1	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-92.2	-29.9	-174.9	-69.8	-61.1	137.2	0	0	113.4	R29 R223 V224 Y244 L245 K344	R29-E248 WeakPolarHBondContact CD-OE1 3.43Å; R223-E248 IonicContact CZ-OE2 3.89Å; R223-E248 IonicContact NH1-OE2 3.28Å; R223-E248 IonicContact NH2-OE1 3.92Å; R223-E248 IonicContact NH2-OE2 3.27Å; R223-E248 PolarHBondContact NH2-OE2 3.43Å; V224-E248 HydrophobicContact CG2-CB 4.3Å; V224-E248 HydrophobicContact CG2-CG 4.11Å; Y244-E248 HydrophobicContact CD1-CG 4.14Å; Y244-E248 HydrophobicContact CE1-CG 3.66Å; Y244-E248 HydrophobicContact CE2-CG 4.09Å; Y244-E248 WeakPolarHBondContact O-CG 3.48Å; Y244-E248 PolarHBondContact O-N 3.19Å; Y244-E248 VanDerWaalsContact O-N 3.13Å; L245-E248 PolarHBondContact O-N 2.87Å; L245-E248 VanDerWaalsContact O-N 3.1Å; E248-K344 PolarHBondContact O-NZ 3.29Å
249	L	97.1	Very high	97.1	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.052	29%	0.293	C	S	.	.			trans	-106.3	126.7	-176.7	-58.5	177.8	0	0	0	110	L245 V253 F255 L286 F343 K344 N347	L245-L249 HydrophobicContact CB-CD1 4.33Å; L245-L249 HydrophobicContact CD2-CD1 4.19Å; L245-L249 WeakPolarHBondContact O-CB 3.4Å; L245-L249 PolarHBondContact O-N 3.33Å; L249-V253 HydrophobicContact CB-CG1 4.46Å; L249-V253 HydrophobicContact CD1-CG1 4.37Å; L249-F255 HydrophobicContact CD1-CD2 4.39Å; L249-L286 HydrophobicContact CD1-CD1 4.01Å; L249-L286 HydrophobicContact CD1-CD2 3.73Å; L249-F343 HydrophobicContact CD1-CB 4.39Å; L249-F343 HydrophobicContact CD2-CB 4.25Å; L249-K344 HydrophobicContact CD2-CB 4.15Å; L249-K344 HydrophobicContact CD2-CD 4.44Å; L249-N347 HydrophobicContact CD2-CB 4.49Å
250	T	94	Very high	97.1	Very high	83 Å²	83	50.6 Å²	50.6	51%	0.509	27%	0.269	S	S	.	.			trans	-125.5	-178.1	176	65.4	0	0	0	0	109.9	V253 N347	T250-V253 WeakPolarHBondContact O-CB 3.45Å; T250-V253 PolarHBondContact O-N 2.7Å; T250-N347 PolarHBondContact N-ND2 3.31Å; T250-N347 PolarHBondContact O-ND2 2.67Å; T250-N347 PolarHBondContact OG1-ND2 2.78Å
251	E	91.7	Very high	97.1	Very high	138 Å²	138	51 Å²	51	65%	0.645	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	136.8	166.5	-70	-61.8	149	0	0	111.3	N347	E251-N347 PolarHBondContact O-ND2 3.09Å
252	P	95	Very high	97	Very high	36 Å²	36	60.9 Å²	60.9	23%	0.234	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91	14.4	12.5	38.4	-39.7	0	0	0	115.3	Y288 K350	P252-Y288 HydrophobicContact CG-CD2 4.05Å; P252-Y288 HydrophobicContact CG-CE2 3.67Å; P252-K350 HydrophobicContact CG-CD 4.36Å; P252-K350 HydrophobicContact CG-CG 4.2Å
253	V	97.9	Very high	97	Very high	7 Å²	7	63.6 Å²	63.6	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121	178.1	176.3	0	0	0	0	109.5	L249 T250 E287 Y288 F343 N347	L249-V253 HydrophobicContact CB-CG1 4.46Å; L249-V253 HydrophobicContact CD1-CG1 4.37Å; T250-V253 WeakPolarHBondContact O-CB 3.45Å; T250-V253 PolarHBondContact O-N 2.7Å; V253-E287 WeakPolarHBondContact CA-O 3.39Å; V253-Y288 HydrophobicContact CG2-CD2 4.24Å; V253-F343 HydrophobicContact CG1-CD1 3.71Å; V253-F343 HydrophobicContact CG1-CE1 4.3Å; V253-F343 HydrophobicContact CG2-CD1 4.08Å; V253-N347 HydrophobicContact CG2-CB 3.87Å
254	Q	97.9	Very high	97	Very high	101 Å²	101	64.7 Å²	64.7	47%	0.472	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.4	172	-61.4	178.8	7	0	0	109.2	L286 E287	Q254-L286 WeakPolarHBondContact O-CA 3.46Å; Q254-E287 HydrophobicContact CB-CB 4.3Å; Q254-E287 PolarHBondContact N-O 2.96Å; Q254-E287 PolarHBondContact O-N 2.84Å
255	F	98	Very high	97.1	Very high	43 Å²	43	63.9 Å²	63.9	19%	0.189	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.4	-177	-178.4	-79.6	0	0	0	109.5	V242 L245 Q246 L249 D257 V284 L286	V242-F255 HydrophobicContact CB-CZ 4.44Å; V242-F255 HydrophobicContact CG1-CE1 4.01Å; V242-F255 HydrophobicContact CG1-CZ 3.89Å; L245-F255 HydrophobicContact CB-CD2 4.28Å; L245-F255 HydrophobicContact CB-CE2 3.52Å; L245-F255 HydrophobicContact CB-CZ 4.24Å; L245-F255 HydrophobicContact CD1-CE2 4.13Å; L245-F255 HydrophobicContact CG-CE2 4.49Å; Q246-F255 HydrophobicContact CG-CD1 3.87Å; Q246-F255 HydrophobicContact CG-CE1 3.57Å; Q246-F255 HydrophobicContact CG-CZ 4Å; L249-F255 HydrophobicContact CD1-CD2 4.39Å; F255-D257 HydrophobicContact CE1-CB 3.89Å; F255-D257 WeakPolarHBondContact CE1-OD1 3.45Å; F255-D257 HydrophobicContact CZ-CB 4.26Å; F255-V284 HydrophobicContact CD2-CG1 4.19Å; F255-V284 HydrophobicContact CE2-CG1 3.47Å; F255-V284 VanDerWaalsContact CE2-CG1 3.47Å; F255-V284 HydrophobicContact CZ-CG1 3.7Å; F255-V284 HydrophobicContact CZ-CG2 4.46Å; F255-L286 HydrophobicContact CB-CD2 4.48Å; F255-L286 HydrophobicContact CD2-CD2 3.28Å; F255-L286 HydrophobicContact CE2-CD2 3.76Å; F255-L286 HydrophobicContact CG-CD2 4.21Å
256	T	98	Very high	97.1	Very high	85 Å²	85	64.6 Å²	64.6	52%	0.521	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.1	169.2	60.4	0	0	0	0	110.4	H285	T256-H285 PolarHBondContact N-O 2.93Å; T256-H285 PolarHBondContact O-N 2.76Å
257	D	98.1	Very high	97.2	Very high	53 Å²	53	59.7 Å²	59.7	28%	0.283	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.5	-174.1	77.4	-102.8	0	0	0	110.1	V242 F255 R282 V283 V284	V242-D257 HydrophobicContact CG1-CB 4.26Å; V242-D257 HydrophobicContact CG2-CB 4.36Å; F255-D257 HydrophobicContact CE1-CB 3.89Å; F255-D257 WeakPolarHBondContact CE1-OD1 3.45Å; F255-D257 HydrophobicContact CZ-CB 4.26Å; D257-R282 VanDerWaalsContact CG-NH2 3.27Å; D257-R282 IonicContact OD2-CZ 3.8Å; D257-R282 IonicContact OD2-NE 3.46Å; D257-R282 IonicContact OD2-NH1 3.14Å; D257-R282 PolarHBondContact OD2-NH1 2.81Å; D257-R282 IonicContact OD2-NH2 3.88Å; D257-R282 PolarHBondContact OD2-NH2 3.33Å; D257-V283 CarbonylContact C-O 3.58Å; D257-V283 VanDerWaalsContact CA-O 3.28Å; D257-V283 WeakPolarHBondContact CA-O 3.38Å; D257-V284 HydrophobicContact CB-CG2 4.22Å
258	C	97.9	Very high	97.3	Very high	36 Å²	36	54.5 Å²	54.5	24%	0.243	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.5	172.4	61.6	0	0	0	0	112	R282 V283	C258-R282 WeakPolarHBondContact O-CA 3.3Å; C258-R282 PolarHBondContact O-NH2 3.29Å; C258-V283 PolarHBondContact N-O 3.03Å; C258-V283 PolarHBondContact O-N 2.89Å
259	P	98.1	Very high	97.4	Very high	83 Å²	83	55 Å²	55	54%	0.539	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	153.3	164.9	-21.8	33.7	0	0	0	110.7	D261	P259-D261 PolarHBondContact O-N 3.15Å
260	V	98.3	Very high	97.5	Very high	18 Å²	18	55.1 Å²	55.1	11%	0.109	30%	0.303	C	S	.	.			trans	-63.6	105.9	173.3	176.8	0	0	0	0	109.3	A268 A269 G281 V283 V363	V260-A268 HydrophobicContact CG1-CB 3.87Å; V260-A269 HydrophobicContact CG1-CB 3.88Å; V260-G281 PolarHBondContact N-O 3.45Å; V260-V283 HydrophobicContact CG2-CG2 3.99Å; V260-V363 HydrophobicContact CG2-CG1 3.92Å
261	D	97.5	Very high	97.7	Very high	77 Å²	77	51.2 Å²	51.2	41%	0.412	28%	0.279	S	S	.	.			trans	-88.8	130.5	-179.4	-179.3	-91.3	0	0	0	111.1	P259 G263 L264 Y265	P259-D261 PolarHBondContact O-N 3.15Å; D261-G263 VanDerWaalsContact C-N 3.32Å; D261-G263 PolarHBondContact O-N 3.11Å; D261-G263 VanDerWaalsContact OD1-CA 3.23Å; D261-G263 WeakPolarHBondContact OD1-CA 3.19Å; D261-G263 PolarHBondContact OD1-N 2.93Å; D261-L264 HydrophobicContact CB-CB 4.24Å; D261-L264 HydrophobicContact CB-CD1 4.26Å; D261-L264 HydrophobicContact CB-CG 4.37Å; D261-L264 PolarHBondContact O-N 2.96Å; D261-L264 PolarHBondContact OD1-N 3.02Å; D261-Y265 CarbonylContact O-C 3.53Å; D261-Y265 WeakPolarHBondContact O-CA 3.32Å; D261-Y265 PolarHBondContact O-N 2.72Å
262	R	97.4	Very high	98	Very high	208 Å²	208	45 Å²	45	79%	0.785	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.3	-178.5	-175.1	-178.9	-179.6	-169.5	2	113.2	P266 A269	R262-P266 WeakPolarHBondContact O-CA 3.4Å; R262-P266 WeakPolarHBondContact O-CB 3.29Å; R262-A269 HydrophobicContact CB-CB 4Å; R262-A269 HydrophobicContact CG-CB 4.29Å
263	G	97.6	Very high	98.1	Very high	64 Å²	64	47.5 Å²	47.5	66%	0.66	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-35	177.9	0	0	0	0	0	112.5	D261	D261-G263 VanDerWaalsContact C-N 3.32Å; D261-G263 PolarHBondContact O-N 3.11Å; D261-G263 VanDerWaalsContact OD1-CA 3.23Å; D261-G263 WeakPolarHBondContact OD1-CA 3.19Å; D261-G263 PolarHBondContact OD1-N 2.93Å
264	L	98.1	Very high	97.9	Very high	74 Å²	74	47.8 Å²	47.8	39%	0.387	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-38.9	179.4	-64	174.8	0	0	0	113.6	D261 R381	D261-L264 HydrophobicContact CB-CB 4.24Å; D261-L264 HydrophobicContact CB-CD1 4.26Å; D261-L264 HydrophobicContact CB-CG 4.37Å; D261-L264 PolarHBondContact O-N 2.96Å; D261-L264 PolarHBondContact OD1-N 3.02Å; L264-R381 PolarHBondContact O-NH1 3Å
265	Y	98.7	Very high	97.9	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	24%	0.239	C	C	.	.			trans	-133	58.8	-171.4	-45.9	-65.6	0	0	0	112.3	D261 L267 A268 A269 V283 H285 D401 L402 E405	D261-Y265 CarbonylContact O-C 3.53Å; D261-Y265 WeakPolarHBondContact O-CA 3.32Å; D261-Y265 PolarHBondContact O-N 2.72Å; Y265-L267 VanDerWaalsContact C-N 3.3Å; Y265-L267 PolarHBondContact O-N 3.39Å; Y265-A268 PolarHBondContact O-N 2.67Å; Y265-A268 VanDerWaalsContact O-N 3.13Å; Y265-A269 VanDerWaalsContact O-CB 3.31Å; Y265-A269 WeakPolarHBondContact O-CB 3.31Å; Y265-A269 PolarHBondContact O-N 2.85Å; Y265-V283 HydrophobicContact CD2-CB 4.48Å; Y265-V283 HydrophobicContact CD2-CG2 3.66Å; Y265-V283 HydrophobicContact CE2-CB 4Å; Y265-V283 HydrophobicContact CE2-CG1 4.08Å; Y265-V283 HydrophobicContact CE2-CG2 3.69Å; Y265-V283 HydrophobicContact CG-CG2 4.24Å; Y265-H285 PolarHBondContact OH-CE1 2.75Å; Y265-H285 PolarHBondContact OH-NE2 3.1Å; Y265-D401 WeakPolarHBondContact CA-OD2 3.46Å; Y265-D401 HydrophobicContact CD1-CB 3.96Å; Y265-L402 HydrophobicContact CD1-CD1 3.68Å; Y265-L402 HydrophobicContact CD1-CG 4.48Å; Y265-L402 HydrophobicContact CE1-CD1 4.15Å; Y265-L402 HydrophobicContact CE1-CG 4.49Å; Y265-L402 HydrophobicContact CG-CD1 4.23Å; Y265-E405 WeakPolarHBondContact CE1-OE2 3.33Å; Y265-E405 PolarHBondContact OH-OE2 3.13Å
266	P	98.7	Very high	97.7	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.104	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-37.8	-174.8	21.6	-34.5	0	0	0	114.9	R262 A269 I270 V378 T379 D401	R262-P266 WeakPolarHBondContact O-CA 3.4Å; R262-P266 WeakPolarHBondContact O-CB 3.29Å; P266-A269 PolarHBondContact O-N 2.79Å; P266-I270 PolarHBondContact O-N 2.82Å; P266-I270 VanDerWaalsContact O-N 3.11Å; P266-V378 HydrophobicContact CB-CG2 4.08Å; P266-T379 VanDerWaalsContact CB-O 3.23Å; P266-T379 WeakPolarHBondContact CB-O 3.28Å; P266-T379 WeakPolarHBondContact CG-O 3.27Å; P266-D401 WeakPolarHBondContact CD-OD2 3.22Å; P266-D401 VanDerWaalsContact N-OD2 3.09Å
267	L	98.8	Very high	97.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-75.3	-31.9	179	-56.1	-169.4	0	0	0	112.7	Y265 I270 V271 V378 V386 M397 T400 D401 F508	Y265-L267 VanDerWaalsContact C-N 3.3Å; Y265-L267 PolarHBondContact O-N 3.39Å; L267-I270 VanDerWaalsContact O-CG2 3.24Å; L267-I270 WeakPolarHBondContact O-CG2 3.47Å; L267-V271 WeakPolarHBondContact O-CG2 3.39Å; L267-V378 HydrophobicContact CD2-CB 4.12Å; L267-V378 HydrophobicContact CD2-CG1 3.36Å; L267-V378 HydrophobicContact CD2-CG2 3.76Å; L267-V386 HydrophobicContact CD1-CG2 4.38Å; L267-V386 HydrophobicContact CD2-CB 4.36Å; L267-V386 HydrophobicContact CD2-CG2 4.32Å; L267-M397 HydrophobicContact CB-CB 4.17Å; L267-M397 HydrophobicContact CB-CE 4.13Å; L267-M397 VanDerWaalsContact CB-O 3.23Å; L267-M397 WeakPolarHBondContact CB-O 3.19Å; L267-M397 HydrophobicContact CD1-CE 4.45Å; L267-M397 HydrophobicContact CD1-SD 4.27Å; L267-M397 HydrophobicContact CD2-CE 3.7Å; L267-M397 HydrophobicContact CG-CE 4.31Å; L267-T400 HydrophobicContact CD1-CG2 3.55Å; L267-D401 WeakPolarHBondContact CA-OD2 3.47Å; L267-D401 VanDerWaalsContact CB-OD2 3.26Å; L267-D401 WeakPolarHBondContact CB-OD2 3.35Å; L267-D401 WeakPolarHBondContact CG-OD2 3.29Å; L267-D401 PolarHBondContact N-OD2 3.27Å; L267-F508 HydrophobicContact CD1-CZ 4.46Å
268	A	98.7	Very high	97.4	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-74.2	-36.9	170.8	0	0	0	0	0	111.1	V260 Y265 I270 V271 D272	V260-A268 HydrophobicContact CG1-CB 3.87Å; Y265-A268 PolarHBondContact O-N 2.67Å; Y265-A268 VanDerWaalsContact O-N 3.13Å; A268-I270 PolarHBondContact O-N 3.36Å; A268-V271 PolarHBondContact O-N 3.32Å; A268-D272 PolarHBondContact O-N 3.05Å
269	A	98.5	Very high	97.3	Very high	17 Å²	17	54.6 Å²	54.6	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-36	-178.8	0	0	0	0	0	112.7	V260 R262 Y265 P266 D272 R273	V260-A269 HydrophobicContact CG1-CB 3.88Å; R262-A269 HydrophobicContact CB-CB 4Å; R262-A269 HydrophobicContact CG-CB 4.29Å; Y265-A269 VanDerWaalsContact O-CB 3.31Å; Y265-A269 WeakPolarHBondContact O-CB 3.31Å; Y265-A269 PolarHBondContact O-N 2.85Å; P266-A269 PolarHBondContact O-N 2.79Å; A269-D272 PolarHBondContact O-N 2.78Å; A269-R273 PolarHBondContact O-N 3.2Å
270	I	98.2	Very high	97.3	Very high	14 Å²	14	55.7 Å²	55.7	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-37.5	175.5	-166.6	166.1	0	0	0	111.6	P266 L267 A268 D272 R273 Y372 E376 V378 V388 M397	P266-I270 PolarHBondContact O-N 2.82Å; P266-I270 VanDerWaalsContact O-N 3.11Å; L267-I270 VanDerWaalsContact O-CG2 3.24Å; L267-I270 WeakPolarHBondContact O-CG2 3.47Å; A268-I270 PolarHBondContact O-N 3.36Å; I270-D272 VanDerWaalsContact C-N 3.35Å; I270-R273 VanDerWaalsContact O-CB 3.26Å; I270-R273 WeakPolarHBondContact O-CB 3.3Å; I270-R273 PolarHBondContact O-N 2.91Å; I270-Y372 HydrophobicContact CD1-CD2 4.15Å; I270-Y372 HydrophobicContact CD1-CG 4.39Å; I270-Y372 HydrophobicContact CG1-CD2 3.84Å; I270-Y372 HydrophobicContact CG1-CG 3.71Å; I270-Y372 HydrophobicContact CG2-CD2 4.46Å; I270-Y372 VanDerWaalsContact O-CD1 3.24Å; I270-Y372 WeakPolarHBondContact O-CD1 3.45Å; I270-E376 HydrophobicContact CD1-CB 4.28Å; I270-V378 HydrophobicContact CD1-CB 4.03Å; I270-V378 HydrophobicContact CD1-CG1 4.16Å; I270-V378 HydrophobicContact CG2-CG1 4.33Å; I270-V388 HydrophobicContact CD1-CG2 4.5Å; I270-M397 HydrophobicContact CG2-CE 4.2Å
271	V	98.5	Very high	97.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-40.2	174	179.9	0	0	0	0	111.1	L267 A268 R273 V363 N365 Y372 E394 M397 V398	L267-V271 WeakPolarHBondContact O-CG2 3.39Å; A268-V271 PolarHBondContact O-N 3.32Å; V271-R273 PolarHBondContact O-N 2.65Å; V271-V363 HydrophobicContact CG1-CG2 3.89Å; V271-N365 HydrophobicContact CG1-CB 4.16Å; V271-Y372 HydrophobicContact CB-CE1 4.28Å; V271-Y372 HydrophobicContact CG1-CE1 4.42Å; V271-Y372 HydrophobicContact CG2-CE1 4.2Å; V271-E394 HydrophobicContact CG1-CB 3.91Å; V271-E394 HydrophobicContact CG1-CG 4.37Å; V271-E394 HydrophobicContact CG2-CB 4.06Å; V271-M397 HydrophobicContact CG2-CB 3.9Å; V271-V398 HydrophobicContact CB-CG2 4.15Å; V271-V398 HydrophobicContact CG1-CG2 4.01Å; V271-V398 HydrophobicContact CG2-CG2 4.1Å
272	D	98.1	Very high	97.3	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-13.2	179.8	-170.6	56.8	0	0	0	114.2	A268 A269 I270 G274 N275 R280 G281 V363	A268-D272 PolarHBondContact O-N 3.05Å; A269-D272 PolarHBondContact O-N 2.78Å; I270-D272 VanDerWaalsContact C-N 3.35Å; D272-G274 VanDerWaalsContact C-N 3.28Å; D272-G274 PolarHBondContact O-N 3.28Å; D272-N275 WeakPolarHBondContact O-CB 3.48Å; D272-N275 PolarHBondContact O-N 2.86Å; D272-N275 PolarHBondContact O-ND2 3.26Å; D272-N275 PolarHBondContact OD1-ND2 3.2Å; D272-R280 PolarHBondContact O-NH1 2.78Å; D272-R280 WeakPolarHBondContact OD2-CD 3.46Å; D272-R280 IonicContact OD2-NH1 3.45Å; D272-R280 PolarHBondContact OD2-NH1 2.92Å; D272-G281 VanDerWaalsContact OD1-CA 3.31Å; D272-G281 WeakPolarHBondContact OD1-CA 3.45Å; D272-G281 PolarHBondContact OD1-N 2.74Å; D272-G281 PolarHBondContact OD2-N 2.94Å; D272-V363 HydrophobicContact CB-CG1 4.29Å
273	R	97	Very high	97.4	Very high	90 Å²	90	43 Å²	43	34%	0.34	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.8	-170.9	-156.4	178.8	70	-168.8	7.8	113.6	A269 I270 V271 N275 N370 A371 Y372 E376	A269-R273 PolarHBondContact O-N 3.2Å; I270-R273 VanDerWaalsContact O-CB 3.26Å; I270-R273 WeakPolarHBondContact O-CB 3.3Å; I270-R273 PolarHBondContact O-N 2.91Å; V271-R273 PolarHBondContact O-N 2.65Å; R273-N275 PolarHBondContact O-N 3.15Å; R273-N370 CarbonylContact C-O 3.55Å; R273-N370 WeakPolarHBondContact CB-O 2.88Å; R273-N370 WeakPolarHBondContact CD-O 3.15Å; R273-N370 HydrophobicContact CG-CB 4.17Å; R273-N370 WeakPolarHBondContact CG-O 3.28Å; R273-N370 PolarHBondContact NE-O 3.34Å; R273-N370 WeakPolarHBondContact O-CB 3.11Å; R273-A371 PolarHBondContact NH2-O 3.34Å; R273-Y372 VanDerWaalsContact NH2-CA 3.27Å; R273-E376 IonicContact CZ-OE1 3.73Å; R273-E376 IonicContact CZ-OE2 2.79Å; R273-E376 IonicContact NH1-OE1 3.04Å; R273-E376 PolarHBondContact NH1-OE1 3.04Å; R273-E376 IonicContact NH1-OE2 3.71Å; R273-E376 PolarHBondContact NH1-OE2 2.91Å; R273-E376 IonicContact NH2-OE1 2.69Å; R273-E376 PolarHBondContact NH2-OE1 2.64Å; R273-E376 IonicContact NH2-OE2 3.5Å
274	G	95.1	Very high	97.5	Very high	12 Å²	12	40 Å²	40	12%	0.124	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.3	177.6	0	0	0	0	0	114.8	D272	D272-G274 VanDerWaalsContact C-N 3.28Å; D272-G274 PolarHBondContact O-N 3.28Å
275	N	97.1	Very high	97.5	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.043	17%	0.17	C	C	.	.			trans	-87.3	142.2	-175.4	-60.9	-37.3	0	0	0	112.7	D272 R273 H279 R280 R364 S366	D272-N275 WeakPolarHBondContact O-CB 3.48Å; D272-N275 PolarHBondContact O-N 2.86Å; D272-N275 PolarHBondContact O-ND2 3.26Å; D272-N275 PolarHBondContact OD1-ND2 3.2Å; R273-N275 PolarHBondContact O-N 3.15Å; N275-H279 HydrophobicContact CB-CB 4.15Å; N275-R280 PolarHBondContact O-NH1 3.03Å; N275-R280 PolarHBondContact O-NH2 3.14Å; N275-R280 VanDerWaalsContact O-NH2 3.16Å; N275-R364 PolarHBondContact ND2-N 3.46Å; N275-R364 PolarHBondContact ND2-O 2.7Å; N275-R364 WeakPolarHBondContact OD1-CB 3.44Å; N275-R364 PolarHBondContact OD1-O 3.03Å; N275-S366 WeakPolarHBondContact OD1-CB 3.42Å; N275-S366 PolarHBondContact OD1-OG 3.29Å
276	N	94.6	Very high	97.5	Very high	91 Å²	91	37.4 Å²	37.4	49%	0.487	17%	0.169	S	C	.	.			trans	-78.2	176.9	165.2	64.2	36.1	0	0	0	111	R278 H279 R280	N276-R278 VanDerWaalsContact C-N 3.26Å; N276-R278 PolarHBondContact O-N 3.41Å; N276-R278 WeakPolarHBondContact OD1-CB 3.3Å; N276-R278 PolarHBondContact OD1-N 3.03Å; N276-R278 VanDerWaalsContact OD1-N 3.08Å; N276-H279 CarbonylContact O-C 3.57Å; N276-H279 PolarHBondContact O-N 3.41Å; N276-H279 VanDerWaalsContact O-N 3.12Å; N276-H279 PolarHBondContact OD1-N 3.36Å; N276-R280 PolarHBondContact O-N 2.81Å; N276-R280 VanDerWaalsContact O-N 3.13Å
277	E	93.9	Very high	97.5	Very high	180 Å²	180	38.9 Å²	38.9	84%	0.841	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-55.8	-38.1	-178.8	-171.4	-176.7	173.8	0	0	113.5	H279 R280	E277-H279 VanDerWaalsContact C-N 3.25Å; E277-H279 PolarHBondContact O-N 3.34Å; E277-R280 WeakPolarHBondContact O-CB 3.38Å; E277-R280 PolarHBondContact O-N 2.87Å
278	R	94	Very high	97.5	Very high	162 Å²	162	39.1 Å²	39.1	61%	0.611	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-62.1	-33.6	-179.6	177.3	-173.6	172.4	166.2	4.4	112.2	E234 N276	E234-R278 IonicContact OE2-CZ 3.53Å; E234-R278 IonicContact OE2-NE 2.7Å; E234-R278 PolarHBondContact OE2-NE 3.05Å; E234-R278 IonicContact OE2-NH2 3.42Å; E234-R278 PolarHBondContact OE2-NH2 3.22Å; N276-R278 VanDerWaalsContact C-N 3.26Å; N276-R278 PolarHBondContact O-N 3.41Å; N276-R278 WeakPolarHBondContact OD1-CB 3.3Å; N276-R278 PolarHBondContact OD1-N 3.03Å; N276-R278 VanDerWaalsContact OD1-N 3.08Å
279	H	96.7	Very high	97.3	Very high	21 Å²	21	42.2 Å²	42.2	10%	0.097	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-109.8	15.5	-176.1	-56.8	134.2	0	0	0	113.2	E234 N275 N276 E277 G281 R364	E234-H279 VanDerWaalsContact CD-NE2 3.32Å; E234-H279 IonicContact OE1-CE1 2.65Å; E234-H279 PolarHBondContact OE1-CE1 3.22Å; E234-H279 IonicContact OE1-NE2 2.82Å; E234-H279 PolarHBondContact OE1-NE2 2.77Å; E234-H279 IonicContact OE2-CD2 2.81Å; E234-H279 IonicContact OE2-CE1 3.33Å; E234-H279 IonicContact OE2-NE2 3.01Å; E234-H279 PolarHBondContact OE2-NE2 2.78Å; N275-H279 HydrophobicContact CB-CB 4.15Å; N276-H279 CarbonylContact O-C 3.57Å; N276-H279 PolarHBondContact O-N 3.41Å; N276-H279 VanDerWaalsContact O-N 3.12Å; N276-H279 PolarHBondContact OD1-N 3.36Å; E277-H279 VanDerWaalsContact C-N 3.25Å; E277-H279 PolarHBondContact O-N 3.34Å; H279-G281 PolarHBondContact O-N 3.05Å; H279-R364 HydrophobicContact CB-CB 4.29Å; H279-R364 PolarHBondContact CD2-NH1 2.76Å; H279-R364 PolarHBondContact CE1-NH1 3.09Å; H279-R364 PolarHBondContact ND1-NH1 3.43Å; H279-R364 PolarHBondContact NE2-NH1 2.96Å
280	R	97.7	Very high	96.9	Very high	106 Å²	106	41.6 Å²	41.6	40%	0.4	19%	0.188	S	C	.	.			trans	-58.1	131.6	-179.2	-172.8	64.4	69	-150.8	-5	111.2	D272 N275 N276 E277	D272-R280 PolarHBondContact O-NH1 2.78Å; D272-R280 WeakPolarHBondContact OD2-CD 3.46Å; D272-R280 IonicContact OD2-NH1 3.45Å; D272-R280 PolarHBondContact OD2-NH1 2.92Å; N275-R280 PolarHBondContact O-NH1 3.03Å; N275-R280 PolarHBondContact O-NH2 3.14Å; N275-R280 VanDerWaalsContact O-NH2 3.16Å; N276-R280 PolarHBondContact O-N 2.81Å; N276-R280 VanDerWaalsContact O-N 3.13Å; E277-R280 WeakPolarHBondContact O-CB 3.38Å; E277-R280 PolarHBondContact O-N 2.87Å
281	G	98.5	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.			trans	-65.6	156.7	-176.7	0	0	0	0	0	114	V260 D272 H279 L362	V260-G281 PolarHBondContact N-O 3.45Å; D272-G281 VanDerWaalsContact OD1-CA 3.31Å; D272-G281 WeakPolarHBondContact OD1-CA 3.45Å; D272-G281 PolarHBondContact OD1-N 2.74Å; D272-G281 PolarHBondContact OD2-N 2.94Å; H279-G281 PolarHBondContact O-N 3.05Å; G281-L362 CarbonylContact C-O 3.57Å; G281-L362 WeakPolarHBondContact CA-O 3.29Å
282	R	98.7	Very high	95.1	Very high	36 Å²	36	47.8 Å²	47.8	14%	0.136	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.7	-176.7	-57.5	-79.2	-54.6	125.1	71.7	108.8	A238 V242 D257 C258 L362	A238-R282 HydrophobicContact CB-CB 4.06Å; A238-R282 HydrophobicContact CB-CG 3.59Å; V242-R282 HydrophobicContact CG2-CB 4.22Å; V242-R282 HydrophobicContact CG2-CG 4.25Å; D257-R282 VanDerWaalsContact CG-NH2 3.27Å; D257-R282 IonicContact OD2-CZ 3.8Å; D257-R282 IonicContact OD2-NE 3.46Å; D257-R282 IonicContact OD2-NH1 3.14Å; D257-R282 PolarHBondContact OD2-NH1 2.81Å; D257-R282 IonicContact OD2-NH2 3.88Å; D257-R282 PolarHBondContact OD2-NH2 3.33Å; C258-R282 WeakPolarHBondContact O-CA 3.3Å; C258-R282 PolarHBondContact O-NH2 3.29Å; R282-L362 HydrophobicContact CB-CB 4.21Å; R282-L362 HydrophobicContact CB-CD1 4.36Å; R282-L362 PolarHBondContact N-O 3.36Å; R282-L362 WeakPolarHBondContact O-CA 3.18Å; R282-L362 VanDerWaalsContact O-CB 3.32Å; R282-L362 WeakPolarHBondContact O-CB 3.32Å; R282-L362 PolarHBondContact O-N 3.1Å
283	V	98.9	Very high	93.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.8	161	-177.1	0	0	0	0	107.8	D257 C258 V260 Y265 T359 L360	D257-V283 CarbonylContact C-O 3.58Å; D257-V283 VanDerWaalsContact CA-O 3.28Å; D257-V283 WeakPolarHBondContact CA-O 3.38Å; C258-V283 PolarHBondContact N-O 3.03Å; C258-V283 PolarHBondContact O-N 2.89Å; V260-V283 HydrophobicContact CG2-CG2 3.99Å; Y265-V283 HydrophobicContact CD2-CB 4.48Å; Y265-V283 HydrophobicContact CD2-CG2 3.66Å; Y265-V283 HydrophobicContact CE2-CB 4Å; Y265-V283 HydrophobicContact CE2-CG1 4.08Å; Y265-V283 HydrophobicContact CE2-CG2 3.69Å; Y265-V283 HydrophobicContact CG-CG2 4.24Å; V283-T359 HydrophobicContact CG1-CG2 3.76Å; V283-L360 WeakPolarHBondContact CA-O 3.39Å
284	V	98.8	Very high	92.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.1	178.1	178.7	0	0	0	0	108.4	V242 F255 D257 L286 T359 L360 L362	V242-V284 HydrophobicContact CG2-CG2 3.62Å; F255-V284 HydrophobicContact CD2-CG1 4.19Å; F255-V284 HydrophobicContact CE2-CG1 3.47Å; F255-V284 VanDerWaalsContact CE2-CG1 3.47Å; F255-V284 HydrophobicContact CZ-CG1 3.7Å; F255-V284 HydrophobicContact CZ-CG2 4.46Å; D257-V284 HydrophobicContact CB-CG2 4.22Å; V284-L286 HydrophobicContact CG1-CD2 3.8Å; V284-L286 HydrophobicContact CG1-CG 4.16Å; V284-T359 CarbonylContact O-C 3.45Å; V284-T359 VanDerWaalsContact O-CA 3.29Å; V284-T359 WeakPolarHBondContact O-CA 3.39Å; V284-L360 HydrophobicContact CB-CB 4.08Å; V284-L360 HydrophobicContact CB-CD1 4.17Å; V284-L360 HydrophobicContact CB-CG 4.16Å; V284-L360 HydrophobicContact CG1-CD1 4.26Å; V284-L360 PolarHBondContact N-O 3.46Å; V284-L360 VanDerWaalsContact N-O 3.13Å; V284-L360 PolarHBondContact O-N 3.04Å; V284-L362 HydrophobicContact CG2-CD1 3.8Å
285	H	98.8	Very high	91.1	Very high	23 Å²	23	61.5 Å²	61.5	11%	0.106	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	171.3	-53.6	-83.5	0	0	0	109.7	T256 Y265 G358 T359 E405	T256-H285 PolarHBondContact N-O 2.93Å; T256-H285 PolarHBondContact O-N 2.76Å; Y265-H285 PolarHBondContact OH-CE1 2.75Å; Y265-H285 PolarHBondContact OH-NE2 3.1Å; H285-G358 CarbonylContact C-O 3.54Å; H285-G358 WeakPolarHBondContact CA-O 3.4Å; H285-T359 PolarHBondContact ND1-OG1 2.92Å; H285-E405 IonicContact CE1-OE1 3.46Å; H285-E405 PolarHBondContact CE1-OE1 2.99Å; H285-E405 IonicContact CE1-OE2 3.67Å; H285-E405 IonicContact ND1-OE1 3.7Å
286	L	98.8	Very high	89.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129	176.3	-53.5	178.7	0	0	0	107.8	L249 Q254 F255 V284 F343 H357 G358 L360	L249-L286 HydrophobicContact CD1-CD1 4.01Å; L249-L286 HydrophobicContact CD1-CD2 3.73Å; Q254-L286 WeakPolarHBondContact O-CA 3.46Å; F255-L286 HydrophobicContact CB-CD2 4.48Å; F255-L286 HydrophobicContact CD2-CD2 3.28Å; F255-L286 HydrophobicContact CE2-CD2 3.76Å; F255-L286 HydrophobicContact CG-CD2 4.21Å; V284-L286 HydrophobicContact CG1-CD2 3.8Å; V284-L286 HydrophobicContact CG1-CG 4.16Å; L286-F343 HydrophobicContact CB-CD1 3.58Å; L286-F343 HydrophobicContact CB-CD2 4.02Å; L286-F343 HydrophobicContact CB-CE1 3.44Å; L286-F343 VanDerWaalsContact CB-CE1 3.44Å; L286-F343 HydrophobicContact CB-CE2 3.92Å; L286-F343 HydrophobicContact CB-CG 3.86Å; L286-F343 HydrophobicContact CB-CZ 3.62Å; L286-F343 HydrophobicContact CD1-CB 3.92Å; L286-F343 HydrophobicContact CD1-CD1 4.25Å; L286-F343 HydrophobicContact CD1-CD2 3.79Å; L286-F343 HydrophobicContact CD1-CE2 4.39Å; L286-F343 HydrophobicContact CD1-CG 3.7Å; L286-F343 HydrophobicContact CG-CG 4.42Å; L286-F343 VanDerWaalsContact O-CZ 3.25Å; L286-F343 WeakPolarHBondContact O-CZ 3.16Å; L286-H357 CarbonylContact O-C 3.55Å; L286-H357 WeakPolarHBondContact O-CA 3.45Å; L286-G358 PolarHBondContact N-O 3.41Å; L286-G358 PolarHBondContact O-N 3.18Å; L286-L360 HydrophobicContact CD1-CD1 4.38Å
287	E	98.4	Very high	89.2	Confident	48 Å²	48	61.7 Å²	61.7	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.1	175.7	-56.6	-162.1	156.5	0	0	110.8	V253 Q254 V356 H357	V253-E287 WeakPolarHBondContact CA-O 3.39Å; Q254-E287 HydrophobicContact CB-CB 4.3Å; Q254-E287 PolarHBondContact N-O 2.96Å; Q254-E287 PolarHBondContact O-N 2.84Å; E287-V356 WeakPolarHBondContact CA-O 3.44Å; E287-H357 IonicContact OE1-CE1 3.35Å; E287-H357 IonicContact OE1-ND1 3.19Å; E287-H357 PolarHBondContact OE1-ND1 2.68Å
288	Y	98.2	Very high	88.2	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.4	174.1	174.1	-97.5	0	0	0	108.3	P252 V253 G290 L346 K350 P351 L354 K355 V356	P252-Y288 HydrophobicContact CG-CD2 4.05Å; P252-Y288 HydrophobicContact CG-CE2 3.67Å; V253-Y288 HydrophobicContact CG2-CD2 4.24Å; Y288-G290 WeakPolarHBondContact OH-CA 3.25Å; Y288-L346 HydrophobicContact CD1-CB 4.25Å; Y288-L346 HydrophobicContact CD1-CD1 4.03Å; Y288-L346 HydrophobicContact CD1-CD2 4.11Å; Y288-L346 HydrophobicContact CD1-CG 4.36Å; Y288-L346 HydrophobicContact CD2-CB 3.89Å; Y288-L346 HydrophobicContact CE1-CD2 4.2Å; Y288-L346 HydrophobicContact CE2-CB 4.21Å; Y288-L346 HydrophobicContact CG-CB 3.92Å; Y288-L346 HydrophobicContact CG-CD1 3.96Å; Y288-L346 HydrophobicContact CG-CG 4.38Å; Y288-K350 WeakPolarHBondContact OH-CA 3.48Å; Y288-K350 PolarHBondContact OH-O 3.16Å; Y288-P351 HydrophobicContact CE1-CG 4.12Å; Y288-P351 WeakPolarHBondContact OH-CD 3.48Å; Y288-P351 VanDerWaalsContact OH-N 3.13Å; Y288-P351 PolarHBondContact OH-O 3.26Å; Y288-L354 WeakPolarHBondContact CE1-O 3.49Å; Y288-K355 WeakPolarHBondContact O-CA 3.17Å; Y288-V356 HydrophobicContact CD1-CG2 4.37Å; Y288-V356 PolarHBondContact N-O 3.37Å; Y288-V356 PolarHBondContact O-N 3.34Å
289	N	95.3	Very high	87.6	Confident	67 Å²	67	55.3 Å²	55.3	36%	0.358	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	89.4	177	-71.3	-64.5	0	0	0	108.8
290	G	89.5	Confident	87	Confident	4 Å²	4	60.7 Å²	60.7	4%	0.041	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-60.5	142	174.7	0	0	0	0	0	110.9	Y288 T292 L354	Y288-G290 WeakPolarHBondContact OH-CA 3.25Å; G290-T292 PolarHBondContact O-N 3.11Å; G290-L354 WeakPolarHBondContact CA-O 3.43Å; G290-L354 PolarHBondContact N-O 2.91Å
291	S	83.8	Confident	86.6	Confident	74 Å²	74	56.4 Å²	56.4	52%	0.517	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-57.2	131.1	174.5	56.7	0	0	0	0	109.5	K352 N353	S291-K352 WeakPolarHBondContact O-CA 3.12Å; S291-K352 WeakPolarHBondContact O-CB 3.36Å; S291-N353 PolarHBondContact O-N 2.7Å
292	T	75.6	Confident	86.3	Confident	69 Å²	69	57.9 Å²	57.9	42%	0.423	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-87.4	127.5	174.1	-43.2	0	0	0	0	108.3	G290 I296	G290-T292 PolarHBondContact O-N 3.11Å; T292-I296 HydrophobicContact CG2-CB 4.11Å; T292-I296 HydrophobicContact CG2-CG2 4.48Å
293	E	71	Confident	86.2	Confident	88 Å²	88	56.4 Å²	56.4	41%	0.411	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.4	142	167.4	-63.7	-170.8	157.5	0	0	109.2	E295 I296 K352 N353	E293-E295 PolarHBondContact O-N 3.16Å; E293-I296 HydrophobicContact CB-CG1 4.43Å; E293-I296 PolarHBondContact O-N 3.37Å; E293-I296 VanDerWaalsContact O-N 3.11Å; E293-K352 HydrophobicContact CG-CD 3.78Å; E293-K352 VanDerWaalsContact OE1-CD 3.31Å; E293-K352 WeakPolarHBondContact OE1-CD 3.35Å; E293-K352 IonicContact OE1-NZ 3.31Å; E293-K352 PolarHBondContact OE1-NZ 3.44Å; E293-N353 PolarHBondContact N-OD1 2.93Å; E293-N353 VanDerWaalsContact N-OD1 3.07Å
294	S	66	Low	86.2	Confident	129 Å²	129	56.3 Å²	56.3	90%	0.902	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.4	-174.5	35.4	0	0	0	0	114.4
295	E	68.6	Low	86.2	Confident	181 Å²	181	56.6 Å²	56.6	85%	0.846	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-4.5	-177	-62.7	-174.8	174.9	0	0	114	E293 D297	E293-E295 PolarHBondContact O-N 3.16Å; E295-D297 PolarHBondContact O-N 2.77Å
296	I	72.6	Confident	86.2	Confident	43 Å²	43	55.5 Å²	55.5	22%	0.221	30%	0.302	C	S	.	.			trans	-81.6	123.6	-178.9	-66.4	-165.5	0	0	0	111.1	T292 E293 P298 Q300 N353	T292-I296 HydrophobicContact CG2-CB 4.11Å; T292-I296 HydrophobicContact CG2-CG2 4.48Å; E293-I296 HydrophobicContact CB-CG1 4.43Å; E293-I296 PolarHBondContact O-N 3.37Å; E293-I296 VanDerWaalsContact O-N 3.11Å; I296-P298 WeakPolarHBondContact O-CD 3.38Å; I296-Q300 HydrophobicContact CG2-CB 4.44Å; I296-N353 HydrophobicContact CD1-CB 3.43Å; I296-N353 VanDerWaalsContact CD1-CB 3.43Å; I296-N353 VanDerWaalsContact CD1-ND2 3.26Å; I296-N353 WeakPolarHBondContact CD1-ND2 3.35Å; I296-N353 WeakPolarHBondContact CD1-OD1 3.48Å
297	D	78.5	Confident	86.2	Confident	59 Å²	59	55.5 Å²	55.5	32%	0.316	30%	0.302	S	S	.	.			trans	-54.3	120.6	166.4	-179.2	-5.5	0	0	0	109.4	E295 Q299 Q300 L301	E295-D297 PolarHBondContact O-N 2.77Å; D297-Q299 PolarHBondContact O-N 3.06Å; D297-Q299 VanDerWaalsContact OD1-CB 3.32Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.2Å; D297-Q299 PolarHBondContact OD1-N 3.29Å; D297-Q299 PolarHBondContact OD1-OE1 3.23Å; D297-Q300 HydrophobicContact CB-CB 4.35Å; D297-Q300 HydrophobicContact CB-CG 3.98Å; D297-Q300 WeakPolarHBondContact O-CA 3.24Å; D297-Q300 WeakPolarHBondContact O-CB 3.41Å; D297-Q300 PolarHBondContact O-N 2.79Å; D297-L301 PolarHBondContact O-N 3.33Å
298	P	74.4	Confident	86.2	Confident	79 Å²	79	53.2 Å²	53.2	51%	0.513	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-25.9	173.5	-26.2	34.9	0	0	0	113.4	I296 Q300 S414	I296-P298 WeakPolarHBondContact O-CD 3.38Å; P298-Q300 VanDerWaalsContact C-N 3.29Å; P298-Q300 PolarHBondContact O-N 3.14Å; P298-S414 WeakPolarHBondContact O-CB 3.43Å; P298-S414 PolarHBondContact O-OG 2.87Å
299	Q	80.3	Confident	86.3	Confident	130 Å²	130	53.2 Å²	53.2	61%	0.607	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21	174.2	-70.7	76.2	83.1	0	0	113.6	D297	D297-Q299 PolarHBondContact O-N 3.06Å; D297-Q299 VanDerWaalsContact OD1-CB 3.32Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.2Å; D297-Q299 PolarHBondContact OD1-N 3.29Å; D297-Q299 PolarHBondContact OD1-OE1 3.23Å
300	Q	83.9	Confident	86.4	Confident	134 Å²	134	50 Å²	50	63%	0.626	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-22.2	177.6	-65.1	-178	3.5	0	0	113	I296 D297 P298 V302 N415	I296-Q300 HydrophobicContact CG2-CB 4.44Å; D297-Q300 HydrophobicContact CB-CB 4.35Å; D297-Q300 HydrophobicContact CB-CG 3.98Å; D297-Q300 WeakPolarHBondContact O-CA 3.24Å; D297-Q300 WeakPolarHBondContact O-CB 3.41Å; D297-Q300 PolarHBondContact O-N 2.79Å; P298-Q300 VanDerWaalsContact C-N 3.29Å; P298-Q300 PolarHBondContact O-N 3.14Å; Q300-V302 PolarHBondContact O-N 2.84Å; Q300-V302 VanDerWaalsContact O-N 3.09Å; Q300-N415 PolarHBondContact O-ND2 2.85Å; Q300-N415 VanDerWaalsContact O-ND2 3.14Å
301	L	89.5	Confident	86.9	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.079	27%	0.272	C	S	.	.	S	Bend	trans	-58.2	113.4	177.9	179.1	64.4	0	0	0	111.4	D297 N303 N353 K355 N415	D297-L301 PolarHBondContact O-N 3.33Å; L301-N303 PolarHBondContact O-N 3.24Å; L301-N303 PolarHBondContact O-ND2 3.07Å; L301-N303 VanDerWaalsContact O-ND2 3.16Å; L301-N353 VanDerWaalsContact CD1-O 3.31Å; L301-N353 WeakPolarHBondContact CD1-O 3.34Å; L301-K355 HydrophobicContact CD2-CD 3.95Å; L301-K355 HydrophobicContact CD2-CG 4.27Å; L301-N415 WeakPolarHBondContact O-CB 3.29Å
302	V	93.1	Very high	87.6	Confident	31 Å²	31	46.5 Å²	46.5	19%	0.188	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.1	179.3	178	0	0	0	0	110.1	Q300 L354 K355 R417 Y556	Q300-V302 PolarHBondContact O-N 2.84Å; Q300-V302 VanDerWaalsContact O-N 3.09Å; V302-L354 HydrophobicContact CB-CD1 4.17Å; V302-L354 HydrophobicContact CG1-CD1 4.15Å; V302-K355 PolarHBondContact O-N 3.4Å; V302-K355 VanDerWaalsContact O-N 3.09Å; V302-R417 HydrophobicContact CG1-CG 4.33Å; V302-Y556 HydrophobicContact CG1-CD1 4.47Å; V302-Y556 HydrophobicContact CG1-CE1 4.02Å
303	N	97	Very high	88.6	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	99.2	171.8	-68.9	-90	0	0	0	109.3	L301 F305 K355 V413 S414 N415 P416 R417	L301-N303 PolarHBondContact O-N 3.24Å; L301-N303 PolarHBondContact O-ND2 3.07Å; L301-N303 VanDerWaalsContact O-ND2 3.16Å; N303-F305 HydrophobicContact CB-CE2 3.89Å; N303-F305 HydrophobicContact CB-CZ 4.47Å; N303-F305 WeakPolarHBondContact O-CD2 3.45Å; N303-K355 WeakPolarHBondContact OD1-CB 3.42Å; N303-K355 WeakPolarHBondContact OD1-CD 3.35Å; N303-V413 HydrophobicContact CB-CB 4.44Å; N303-V413 HydrophobicContact CB-CG2 3.76Å; N303-S414 PolarHBondContact ND2-O 2.63Å; N303-N415 PolarHBondContact N-O 2.92Å; N303-P416 CarbonylContact O-C 3.3Å; N303-P416 WeakPolarHBondContact O-CA 3.38Å; N303-R417 PolarHBondContact O-N 3Å
304	L	98.4	Very high	89.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.3	-177	-175.6	63.5	0	0	0	110.6	L306 F342 K355 V356 H357 R417 Y556	L304-L306 HydrophobicContact CD1-CD2 3.79Å; L304-L306 HydrophobicContact CD2-CD1 4.13Å; L304-L306 HydrophobicContact CD2-CD2 3.82Å; L304-L306 HydrophobicContact CD2-CG 4.07Å; L304-L306 HydrophobicContact CG-CD1 4.49Å; L304-L306 HydrophobicContact CG-CD2 3.61Å; L304-L306 HydrophobicContact CG-CG 3.9Å; L304-F342 HydrophobicContact CD2-CE1 4.12Å; L304-K355 PolarHBondContact N-O 2.69Å; L304-V356 HydrophobicContact CB-CG1 4.28Å; L304-V356 HydrophobicContact CB-CG2 4.3Å; L304-V356 HydrophobicContact CD2-CG1 4.24Å; L304-V356 HydrophobicContact CD2-CG2 4.49Å; L304-V356 HydrophobicContact CG-CG1 4.36Å; L304-V356 CarbonylContact O-C 3.58Å; L304-V356 VanDerWaalsContact O-CA 3.29Å; L304-V356 WeakPolarHBondContact O-CA 3.31Å; L304-H357 PolarHBondContact O-N 3.03Å; L304-R417 HydrophobicContact CD1-CB 3.89Å; L304-Y556 HydrophobicContact CD1-CE2 4.23Å; L304-Y556 HydrophobicContact CD2-CD2 3.98Å; L304-Y556 HydrophobicContact CD2-CE2 3.76Å
305	F	98.8	Very high	91.4	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.4	176.4	-64.4	-91.6	0	0	0	109.2	N303 H357 A406 K409 A410 V413 P416 R417 L418 M419	N303-F305 HydrophobicContact CB-CE2 3.89Å; N303-F305 HydrophobicContact CB-CZ 4.47Å; N303-F305 WeakPolarHBondContact O-CD2 3.45Å; F305-H357 CarbonylContact C-O 3.56Å; F305-H357 WeakPolarHBondContact CA-O 3.16Å; F305-H357 HydrophobicContact CD1-CB 3.65Å; F305-H357 AromaticContact CD1-CD2 3.94Å; F305-H357 AromaticContact CD1-CG 3.96Å; F305-H357 HydrophobicContact CE1-CB 3.92Å; F305-H357 AromaticContact CE1-CD2 3.41Å; F305-H357 VanDerWaalsContact CE1-CD2 3.41Å; F305-H357 WeakPolarHBondContact CE1-CD2 3.46Å; F305-H357 AromaticContact CE1-CG 3.68Å; F305-H357 HydrophobicContact CG-CB 4.48Å; F305-H357 AromaticContact CZ-CD2 3.77Å; F305-A406 HydrophobicContact CB-CB 4.09Å; F305-A406 HydrophobicContact CD1-CB 4.32Å; F305-A406 HydrophobicContact CG-CB 4.5Å; F305-K409 HydrophobicContact CD1-CB 4.34Å; F305-K409 HydrophobicContact CE1-CB 3.53Å; F305-K409 HydrophobicContact CE1-CD 4.48Å; F305-K409 HydrophobicContact CZ-CB 4.11Å; F305-A410 HydrophobicContact CD2-CB 4.03Å; F305-A410 HydrophobicContact CE2-CB 3.79Å; F305-A410 HydrophobicContact CZ-CB 4.22Å; F305-V413 HydrophobicContact CE2-CG2 3.87Å; F305-V413 HydrophobicContact CZ-CG2 3.9Å; F305-P416 HydrophobicContact CD2-CB 4.32Å; F305-P416 HydrophobicContact CE2-CB 4Å; F305-R417 PolarHBondContact N-O 3.46Å; F305-L418 HydrophobicContact CB-CG 4.26Å; F305-L418 CarbonylContact O-C 3.02Å; F305-M419 PolarHBondContact O-N 2.84Å
306	L	98.9	Very high	92.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.1	-178.3	-57.7	-177.9	0	0	0	110.4	L304 V339 F342 V356 H357 G358 T359 M419 L552	L304-L306 HydrophobicContact CD1-CD2 3.79Å; L304-L306 HydrophobicContact CD2-CD1 4.13Å; L304-L306 HydrophobicContact CD2-CD2 3.82Å; L304-L306 HydrophobicContact CD2-CG 4.07Å; L304-L306 HydrophobicContact CG-CD1 4.49Å; L304-L306 HydrophobicContact CG-CD2 3.61Å; L304-L306 HydrophobicContact CG-CG 3.9Å; L306-V339 HydrophobicContact CB-CG1 3.89Å; L306-V339 HydrophobicContact CB-CG2 3.97Å; L306-V339 HydrophobicContact CD1-CG1 4.29Å; L306-F342 HydrophobicContact CD1-CD1 3.73Å; L306-F342 HydrophobicContact CD1-CE1 4.26Å; L306-V356 HydrophobicContact CD1-CG1 3.94Å; L306-V356 HydrophobicContact CG-CG1 4.17Å; L306-H357 PolarHBondContact N-O 3.47Å; L306-G358 CarbonylContact O-C 3.52Å; L306-G358 WeakPolarHBondContact O-CA 3.22Å; L306-T359 PolarHBondContact O-N 2.93Å; L306-M419 CarbonylContact C-O 3.59Å; L306-M419 WeakPolarHBondContact CA-O 3.44Å; L306-M419 HydrophobicContact CD2-CB 3.8Å; L306-M419 HydrophobicContact CD2-CG 4.36Å; L306-M419 HydrophobicContact CD2-SD 4.03Å; L306-L552 HydrophobicContact CD1-CD1 4.17Å
307	V	98.9	Very high	93.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.8	173.1	176.1	0	0	0	0	109	T359 M399 L402 A406 M419 T420 I421	V307-T359 WeakPolarHBondContact CA-O 3.5Å; V307-M399 HydrophobicContact CG1-CB 3.93Å; V307-M399 HydrophobicContact CG1-CG 4Å; V307-L402 HydrophobicContact CG1-CB 3.75Å; V307-L402 HydrophobicContact CG1-CD2 4.18Å; V307-L402 HydrophobicContact CG2-CB 4.31Å; V307-A406 HydrophobicContact CG2-CB 4.22Å; V307-M419 PolarHBondContact N-O 2.89Å; V307-T420 HydrophobicContact CB-CG2 3.88Å; V307-T420 HydrophobicContact CG1-CG2 4.18Å; V307-T420 CarbonylContact O-C 3.06Å; V307-T420 VanDerWaalsContact O-CA 3.23Å; V307-T420 WeakPolarHBondContact O-CA 3.22Å; V307-I421 PolarHBondContact O-N 3.01Å
308	G	98.9	Very high	94.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.4	-176.9	0	0	0	0	0	113.4	G310 T359 G361 I421	G308-G310 PolarHBondContact O-N 2.81Å; G308-T359 PolarHBondContact N-O 3.47Å; G308-G361 PolarHBondContact O-N 2.94Å; G308-I421 WeakPolarHBondContact CA-O 3.22Å
309	K	98.8	Very high	95.8	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.017	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	117.7	168.3	-177.2	-174.5	174.4	-178.1	0	109.9	V311 D332 K333 G335 A336 E394 G395 M399 I421 A422 T423 L424	K309-V311 HydrophobicContact CD-CG2 4.35Å; K309-V311 HydrophobicContact CG-CG2 3.98Å; K309-D332 WeakPolarHBondContact CE-OD1 3.43Å; K309-D332 WeakPolarHBondContact CE-OD2 3.48Å; K309-D332 IonicContact NZ-OD1 3.25Å; K309-D332 PolarHBondContact NZ-OD1 3.11Å; K309-D332 IonicContact NZ-OD2 3.82Å; K309-D332 PolarHBondContact NZ-OD2 3.45Å; K309-K333 CarbonylContact O-C 3.57Å; K309-G335 PolarHBondContact O-N 2.9Å; K309-A336 WeakPolarHBondContact O-CB 3.46Å; K309-A336 PolarHBondContact O-N 2.83Å; K309-E394 VanDerWaalsContact CE-OE1 3.24Å; K309-E394 WeakPolarHBondContact CE-OE1 3.19Å; K309-E394 IonicContact NZ-OE1 2.73Å; K309-E394 PolarHBondContact NZ-OE1 2.91Å; K309-G395 VanDerWaalsContact CE-CA 3.42Å; K309-M399 HydrophobicContact CB-CE 4.15Å; K309-M399 HydrophobicContact CB-CG 4.22Å; K309-M399 HydrophobicContact CB-SD 3.75Å; K309-I421 PolarHBondContact N-O 3.01Å; K309-A422 HydrophobicContact CB-CB 3.47Å; K309-A422 VanDerWaalsContact CB-CB 3.47Å; K309-A422 HydrophobicContact CD-CB 3.99Å; K309-A422 HydrophobicContact CG-CB 4.32Å; K309-T423 PolarHBondContact NZ-O 2.88Å; K309-L424 HydrophobicContact CD-CD1 4.35Å
310	G	98.7	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	45	-178.7	0	0	0	0	0	113.4	G308 T312 G361 L362 V363	G308-G310 PolarHBondContact O-N 2.81Å; G310-T312 PolarHBondContact O-N 2.7Å; G310-G361 CarbonylContact C-O 3.5Å; G310-G361 VanDerWaalsContact C-O 3.3Å; G310-G361 WeakPolarHBondContact CA-O 3.35Å; G310-G361 PolarHBondContact N-O 3.13Å; G310-L362 VanDerWaalsContact O-CA 3.29Å; G310-L362 WeakPolarHBondContact O-CA 3.47Å; G310-V363 PolarHBondContact O-N 3.33Å; G310-V363 VanDerWaalsContact O-N 3.08Å
311	V	98.7	Very high	97.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	100.5	177.1	-179.1	0	0	0	0	108.6	K309 Y313 D314 D332 K333 V363 N365 E394 V398	K309-V311 HydrophobicContact CD-CG2 4.35Å; K309-V311 HydrophobicContact CG-CG2 3.98Å; V311-Y313 PolarHBondContact O-N 2.78Å; V311-D314 HydrophobicContact CG1-CB 3.77Å; V311-D332 HydrophobicContact CB-CB 4.15Å; V311-D332 WeakPolarHBondContact CB-OD2 3.45Å; V311-D332 HydrophobicContact CG1-CB 4.42Å; V311-D332 PolarHBondContact N-O 3.1Å; V311-D332 VanDerWaalsContact N-O 3.15Å; V311-D332 CarbonylContact O-C 3.16Å; V311-K333 PolarHBondContact O-N 2.95Å; V311-K333 VanDerWaalsContact O-N 3.14Å; V311-V363 CarbonylContact C-O 3.58Å; V311-V363 VanDerWaalsContact CA-O 3.29Å; V311-V363 WeakPolarHBondContact CA-O 3.44Å; V311-V363 HydrophobicContact CG2-CG2 4.26Å; V311-N365 HydrophobicContact CG1-CB 4.15Å; V311-E394 HydrophobicContact CG1-CG 4.42Å; V311-E394 HydrophobicContact CG2-CG 3.99Å; V311-V398 HydrophobicContact CG2-CG2 4.35Å
312	T	98.4	Very high	97.4	Very high	3 Å²	3	20 Å²	20	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-30.9	-170.1	54.1	0	0	0	0	113.2	P233 A238 I241 G310 K333 V363 R364	P233-T312 WeakPolarHBondContact CB-O 3.43Å; A238-T312 HydrophobicContact CB-CG2 4.32Å; I241-T312 HydrophobicContact CD1-CG2 3.95Å; G310-T312 PolarHBondContact O-N 2.7Å; T312-K333 HydrophobicContact CG2-CD 4.49Å; T312-V363 PolarHBondContact N-O 3.1Å; T312-V363 PolarHBondContact OG1-O 3.02Å; T312-R364 WeakPolarHBondContact OG1-CB 3.31Å
313	Y	98.1	Very high	97.5	Very high	46 Å²	46	22.6 Å²	22.6	18%	0.18	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	135.1	165.9	-164.1	-99.5	0	0	0	109	P233 V311 T315 M326 H330 R364 N365	P233-Y313 HydrophobicContact CB-CD2 3.74Å; P233-Y313 HydrophobicContact CB-CG 4.11Å; P233-Y313 HydrophobicContact CG-CD2 3.63Å; P233-Y313 HydrophobicContact CG-CE2 4.16Å; P233-Y313 HydrophobicContact CG-CG 4.27Å; V311-Y313 PolarHBondContact O-N 2.78Å; Y313-T315 HydrophobicContact CD1-CG2 3.92Å; Y313-T315 HydrophobicContact CE1-CG2 4.05Å; Y313-M326 HydrophobicContact CE1-CG 3.97Å; Y313-M326 HydrophobicContact CE1-SD 3.95Å; Y313-M326 PolarHBondContact OH-O 3.46Å; Y313-H330 HydrophobicContact CD2-CB 3.91Å; Y313-H330 HydrophobicContact CE2-CB 4.24Å; Y313-R364 VanDerWaalsContact O-CG 3.32Å; Y313-R364 WeakPolarHBondContact O-CG 3.39Å; Y313-N365 PolarHBondContact O-N 3.29Å
314	D	97.8	Very high	97.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.5	-179.3	-174.4	17.9	0	0	0	111.9	V311 G316 K321 M329 D332 N365	V311-D314 HydrophobicContact CG1-CB 3.77Å; D314-G316 WeakPolarHBondContact OD1-CA 3.47Å; D314-G316 PolarHBondContact OD1-N 2.85Å; D314-K321 WeakPolarHBondContact O-CE 3.16Å; D314-K321 WeakPolarHBondContact OD2-CE 3.41Å; D314-K321 IonicContact OD2-NZ 3.66Å; D314-K321 PolarHBondContact OD2-NZ 2.93Å; D314-M329 HydrophobicContact CB-CB 4.09Å; D314-M329 HydrophobicContact CB-CG 4.44Å; D314-M329 HydrophobicContact CB-SD 4.47Å; D314-M329 PolarHBondContact N-O 3.39Å; D314-M329 VanDerWaalsContact O-CB 3.25Å; D314-M329 WeakPolarHBondContact O-CB 3.4Å; D314-M329 WeakPolarHBondContact O-CG 3.4Å; D314-D332 HydrophobicContact CB-CB 4.28Å; D314-D332 WeakPolarHBondContact CB-OD2 3.42Å; D314-N365 WeakPolarHBondContact OD1-CB 3.38Å; D314-N365 PolarHBondContact OD1-ND2 2.99Å
315	T	97.8	Very high	97	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.08	20%	0.198	C	C	.	.			trans	-88.1	-12.9	172.2	67.6	0	0	0	0	112.5	Y313 G317 L320 K321 M326 N365 I367	Y313-T315 HydrophobicContact CD1-CG2 3.92Å; Y313-T315 HydrophobicContact CE1-CG2 4.05Å; T315-G317 VanDerWaalsContact C-N 3.33Å; T315-G317 PolarHBondContact OG1-N 2.73Å; T315-L320 WeakPolarHBondContact O-CD1 3.37Å; T315-K321 WeakPolarHBondContact O-CB 3.16Å; T315-K321 PolarHBondContact O-N 2.87Å; T315-M326 HydrophobicContact CG2-SD 4.24Å; T315-N365 WeakPolarHBondContact CB-O 3.47Å; T315-N365 PolarHBondContact N-O 3.43Å; T315-N365 PolarHBondContact OG1-O 3.36Å; T315-I367 PolarHBondContact OG1-N 3.04Å
316	G	96.7	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.208	C	C	.	.			trans	85.4	-4.7	-164	0	0	0	0	0	115	D314 D319 N365 T391 D392	D314-G316 WeakPolarHBondContact OD1-CA 3.47Å; D314-G316 PolarHBondContact OD1-N 2.85Å; G316-D319 CarbonylContact O-C 3.57Å; G316-D319 PolarHBondContact O-N 2.88Å; G316-N365 VanDerWaalsContact C-ND2 3.28Å; G316-N365 WeakPolarHBondContact CA-ND2 3.45Å; G316-T391 CarbonylContact O-C 3.57Å; G316-T391 PolarHBondContact O-OG1 3.36Å; G316-D392 WeakPolarHBondContact CA-OD1 3.43Å; G316-D392 PolarHBondContact O-N 2.82Å
317	G	96.8	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-134.6	-177.2	0	0	0	0	0	110.8	T315 D319 N365	T315-G317 VanDerWaalsContact C-N 3.33Å; T315-G317 PolarHBondContact OG1-N 2.73Å; G317-D319 VanDerWaalsContact C-N 3.35Å; G317-N365 PolarHBondContact N-ND2 3.45Å
318	S	96.5	Very high	96.4	Very high	47 Å²	47	38 Å²	38	33%	0.329	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.6	177.1	-67.1	0	0	0	0	113.5	L320 Y372 T391	S318-L320 PolarHBondContact O-N 2.91Å; S318-L320 VanDerWaalsContact O-N 3.1Å; S318-Y372 PolarHBondContact OG-O 3.29Å; S318-T391 PolarHBondContact N-OG1 2.86Å
319	D	95.1	Very high	96.3	Very high	62 Å²	62	39.9 Å²	39.9	33%	0.332	26%	0.258	S	S	.	.	S	Bend	trans	-82.8	60	166.6	-68.6	-71.4	0	0	0	110.4	G316 G317 S374 N390 T391	G316-D319 CarbonylContact O-C 3.57Å; G316-D319 PolarHBondContact O-N 2.88Å; G317-D319 VanDerWaalsContact C-N 3.35Å; D319-S374 PolarHBondContact OD2-OG 3.13Å; D319-N390 WeakPolarHBondContact OD2-CA 3.34Å; D319-T391 WeakPolarHBondContact CB-OG1 3.25Å; D319-T391 PolarHBondContact N-OG1 2.74Å; D319-T391 PolarHBondContact OD2-N 2.85Å; D319-T391 PolarHBondContact OD2-OG1 2.73Å
320	L	96.2	Very high	96.3	Very high	72 Å²	72	41.2 Å²	41.2	38%	0.377	26%	0.264	S	S	.	.			trans	-55.4	133.6	-167.9	-168.2	74.8	0	0	0	113.6	T315 S318 V322 M326 I367	T315-L320 WeakPolarHBondContact O-CD1 3.37Å; S318-L320 PolarHBondContact O-N 2.91Å; S318-L320 VanDerWaalsContact O-N 3.1Å; L320-V322 HydrophobicContact CD2-CG1 4.47Å; L320-V322 PolarHBondContact O-N 3.05Å; L320-M326 HydrophobicContact CD1-CE 3.84Å; L320-M326 HydrophobicContact CG-CE 4.21Å; L320-I367 HydrophobicContact CD1-CB 4.41Å; L320-I367 HydrophobicContact CD1-CD1 4.47Å; L320-I367 HydrophobicContact CD1-CG2 4.06Å
321	K	96.1	Very high	96.2	Very high	26 Å²	26	42.3 Å²	42.3	11%	0.113	27%	0.268	C	S	.	.			trans	-65.4	114.7	169	-68.6	-174.8	-156.4	-71.8	0	110.7	D314 T315 I325 M326 M329 D392	D314-K321 WeakPolarHBondContact O-CE 3.16Å; D314-K321 WeakPolarHBondContact OD2-CE 3.41Å; D314-K321 IonicContact OD2-NZ 3.66Å; D314-K321 PolarHBondContact OD2-NZ 2.93Å; T315-K321 WeakPolarHBondContact O-CB 3.16Å; T315-K321 PolarHBondContact O-N 2.87Å; K321-I325 HydrophobicContact CB-CD1 4.36Å; K321-I325 HydrophobicContact CB-CG1 3.85Å; K321-I325 HydrophobicContact CD-CG1 4.46Å; K321-I325 HydrophobicContact CG-CG1 4.29Å; K321-M326 HydrophobicContact CB-CB 4.07Å; K321-M326 HydrophobicContact CB-CE 4.35Å; K321-M326 WeakPolarHBondContact O-CE 3.38Å; K321-M329 HydrophobicContact CD-CG 3.77Å; K321-M329 HydrophobicContact CD-SD 3.97Å; K321-M329 VanDerWaalsContact CE-SD 3.53Å; K321-D392 WeakPolarHBondContact CE-OD1 3.37Å; K321-D392 IonicContact NZ-OD1 2.66Å; K321-D392 PolarHBondContact NZ-OD1 2.87Å; K321-D392 IonicContact NZ-OD2 3.79Å; K321-D392 PolarHBondContact NZ-OD2 3.32Å; K321-D392 VanDerWaalsContact NZ-OD2 3.09Å
322	V	95.4	Very high	96.1	Very high	102 Å²	102	42.8 Å²	42.8	62%	0.618	27%	0.271	S	S	*	.			trans	-114.6	170.4	179.9	-64.9	0	0	0	0	112.4	L320 G324 I325	L320-V322 HydrophobicContact CD2-CG1 4.47Å; L320-V322 PolarHBondContact O-N 3.05Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.42Å; V322-I325 VanDerWaalsContact O-CG1 3.32Å; V322-I325 WeakPolarHBondContact O-CG1 3.41Å
323	G	95.2	Very high	96.1	Very high	84 Å²	84	42.7 Å²	42.7	87%	0.866	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	19.1	176.3	0	0	0	0	0	115
324	G	93.3	Very high	96.2	Very high	60 Å²	60	40.9 Å²	40.9	62%	0.619	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-3.9	177.1	0	0	0	0	0	115.3	V322 M326 A327	V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.42Å; G324-M326 PolarHBondContact O-N 3.28Å; G324-M326 VanDerWaalsContact O-N 3.17Å; G324-A327 WeakPolarHBondContact O-CB 3.42Å; G324-A327 PolarHBondContact O-N 2.75Å; G324-A327 VanDerWaalsContact O-N 3.17Å
325	I	91.3	Very high	96.2	Very high	108 Å²	108	40.7 Å²	40.7	55%	0.554	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.1	-179.2	73.9	-170.7	0	0	0	114.1	K321 V322 A327	K321-I325 HydrophobicContact CB-CD1 4.36Å; K321-I325 HydrophobicContact CB-CG1 3.85Å; K321-I325 HydrophobicContact CD-CG1 4.46Å; K321-I325 HydrophobicContact CG-CG1 4.29Å; V322-I325 VanDerWaalsContact O-CG1 3.32Å; V322-I325 WeakPolarHBondContact O-CG1 3.41Å; I325-A327 VanDerWaalsContact C-N 3.29Å
326	M	95.5	Very high	96.3	Very high	47 Å²	47	40.1 Å²	40.1	23%	0.232	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.1	171.3	-165.5	-173.7	-62.5	0	0	112	Y313 T315 L320 K321 G324 M329	Y313-M326 HydrophobicContact CE1-CG 3.97Å; Y313-M326 HydrophobicContact CE1-SD 3.95Å; Y313-M326 PolarHBondContact OH-O 3.46Å; T315-M326 HydrophobicContact CG2-SD 4.24Å; L320-M326 HydrophobicContact CD1-CE 3.84Å; L320-M326 HydrophobicContact CG-CE 4.21Å; K321-M326 HydrophobicContact CB-CB 4.07Å; K321-M326 HydrophobicContact CB-CE 4.35Å; K321-M326 WeakPolarHBondContact O-CE 3.38Å; G324-M326 PolarHBondContact O-N 3.28Å; G324-M326 VanDerWaalsContact O-N 3.17Å; M326-M329 VanDerWaalsContact O-CB 3.32Å; M326-M329 WeakPolarHBondContact O-CB 3.15Å; M326-M329 VanDerWaalsContact O-CG 3.23Å; M326-M329 WeakPolarHBondContact O-CG 3.32Å; M326-M329 PolarHBondContact O-N 2.74Å
327	A	94.7	Very high	96.4	Very high	60 Å²	60	40.2 Å²	40.2	50%	0.496	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	147.8	169.7	0	0	0	0	0	109.3	G324 I325 M329	G324-A327 WeakPolarHBondContact O-CB 3.42Å; G324-A327 PolarHBondContact O-N 2.75Å; G324-A327 VanDerWaalsContact O-N 3.17Å; I325-A327 VanDerWaalsContact C-N 3.29Å; A327-M329 PolarHBondContact O-N 3.31Å
328	T	95.2	Very high	96.5	Very high	60 Å²	60	40.3 Å²	40.3	37%	0.368	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-11.9	-176.2	82.1	0	0	0	0	116.6	H330 R331 C540	T328-H330 PolarHBondContact O-N 2.62Å; T328-H330 PolarHBondContact O-ND1 3.36Å; T328-R331 WeakPolarHBondContact O-CB 3.44Å; T328-R331 WeakPolarHBondContact O-CG 3.4Å; T328-R331 PolarHBondContact O-N 3.06Å; T328-C540 HydrophobicContact CG2-CB 3.86Å; T328-C540 WeakPolarHBondContact CG2-SG 3.43Å
329	M	97	Very high	96.6	Very high	40 Å²	40	38 Å²	38	20%	0.197	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-67.8	-0.1	-176.9	-63.7	-60.5	100.6	0	0	115.7	D314 K321 M326 A327 R331 D332	D314-M329 HydrophobicContact CB-CB 4.09Å; D314-M329 HydrophobicContact CB-CG 4.44Å; D314-M329 HydrophobicContact CB-SD 4.47Å; D314-M329 PolarHBondContact N-O 3.39Å; D314-M329 VanDerWaalsContact O-CB 3.25Å; D314-M329 WeakPolarHBondContact O-CB 3.4Å; D314-M329 WeakPolarHBondContact O-CG 3.4Å; K321-M329 HydrophobicContact CD-CG 3.77Å; K321-M329 HydrophobicContact CD-SD 3.97Å; K321-M329 VanDerWaalsContact CE-SD 3.53Å; M326-M329 VanDerWaalsContact O-CB 3.32Å; M326-M329 WeakPolarHBondContact O-CB 3.15Å; M326-M329 VanDerWaalsContact O-CG 3.23Å; M326-M329 WeakPolarHBondContact O-CG 3.32Å; M326-M329 PolarHBondContact O-N 2.74Å; A327-M329 PolarHBondContact O-N 3.31Å; M329-R331 PolarHBondContact O-N 3.01Å; M329-D332 WeakPolarHBondContact O-CB 3.3Å; M329-D332 PolarHBondContact O-N 2.93Å
330	H	97.4	Very high	96.8	Very high	32 Å²	32	35.1 Å²	35.1	15%	0.148	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-70.6	-19	166.1	70.3	-81.2	0	0	0	112.8	S231 P233 Y313 T328 D332 K333	S231-H330 PolarHBondContact O-CD2 2.92Å; P233-H330 HydrophobicContact CB-CB 4.32Å; P233-H330 HydrophobicContact CG-CB 4.34Å; Y313-H330 HydrophobicContact CD2-CB 3.91Å; Y313-H330 HydrophobicContact CE2-CB 4.24Å; T328-H330 PolarHBondContact O-N 2.62Å; T328-H330 PolarHBondContact O-ND1 3.36Å; H330-D332 PolarHBondContact O-N 3.31Å; H330-K333 WeakPolarHBondContact O-CD 3.05Å; H330-K333 VanDerWaalsContact O-CE 3.28Å; H330-K333 WeakPolarHBondContact O-CE 3.46Å; H330-K333 PolarHBondContact O-NZ 2.85Å; H330-K333 VanDerWaalsContact O-NZ 3.15Å
331	R	97.2	Very high	96.9	Very high	22 Å²	22	31.7 Å²	31.7	8%	0.083	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-77.3	-3.7	175.3	-59.8	-69.2	-165.1	-170.1	-4.4	112.7	G229 G230 T328 M329 K333 C334 G542	G229-R331 VanDerWaalsContact O-CD 3.23Å; G229-R331 WeakPolarHBondContact O-CD 3.48Å; G230-R331 PolarHBondContact O-NH1 3.46Å; T328-R331 WeakPolarHBondContact O-CB 3.44Å; T328-R331 WeakPolarHBondContact O-CG 3.4Å; T328-R331 PolarHBondContact O-N 3.06Å; M329-R331 PolarHBondContact O-N 3.01Å; R331-K333 PolarHBondContact O-N 2.97Å; R331-C334 WeakPolarHBondContact O-CB 3.29Å; R331-C334 PolarHBondContact O-N 3.35Å; R331-C334 PolarHBondContact O-SG 3.11Å; R331-G542 PolarHBondContact NH2-O 3.07Å
332	D	97.6	Very high	97	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.059	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	7.8	-173.2	-156.4	29.2	0	0	0	114.4	K309 V311 D314 M329 H330 T423	K309-D332 WeakPolarHBondContact CE-OD1 3.43Å; K309-D332 WeakPolarHBondContact CE-OD2 3.48Å; K309-D332 IonicContact NZ-OD1 3.25Å; K309-D332 PolarHBondContact NZ-OD1 3.11Å; K309-D332 IonicContact NZ-OD2 3.82Å; K309-D332 PolarHBondContact NZ-OD2 3.45Å; V311-D332 HydrophobicContact CB-CB 4.15Å; V311-D332 WeakPolarHBondContact CB-OD2 3.45Å; V311-D332 HydrophobicContact CG1-CB 4.42Å; V311-D332 PolarHBondContact N-O 3.1Å; V311-D332 VanDerWaalsContact N-O 3.15Å; V311-D332 CarbonylContact O-C 3.16Å; D314-D332 HydrophobicContact CB-CB 4.28Å; D314-D332 WeakPolarHBondContact CB-OD2 3.42Å; M329-D332 WeakPolarHBondContact O-CB 3.3Å; M329-D332 PolarHBondContact O-N 2.93Å; H330-D332 PolarHBondContact O-N 3.31Å; D332-T423 VanDerWaalsContact C-OG1 3.29Å; D332-T423 VanDerWaalsContact CA-OG1 3.28Å; D332-T423 WeakPolarHBondContact CA-OG1 3.21Å; D332-T423 PolarHBondContact O-OG1 3.37Å; D332-T423 WeakPolarHBondContact OD1-CB 3.22Å; D332-T423 PolarHBondContact OD1-OG1 3.47Å
333	K	98.3	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	3	173	67.3	-157.5	-178.5	-139.7	0	114	I228 S231 I241 K309 V311 T312 H330 R331 G335 A336 A337	I228-K333 HydrophobicContact CG2-CG 4.46Å; I228-K333 WeakPolarHBondContact O-CE 3.34Å; S231-K333 PolarHBondContact O-NZ 2.83Å; I241-K333 HydrophobicContact CD1-CD 4.34Å; K309-K333 CarbonylContact O-C 3.57Å; V311-K333 PolarHBondContact O-N 2.95Å; V311-K333 VanDerWaalsContact O-N 3.14Å; T312-K333 HydrophobicContact CG2-CD 4.49Å; H330-K333 WeakPolarHBondContact O-CD 3.05Å; H330-K333 VanDerWaalsContact O-CE 3.28Å; H330-K333 WeakPolarHBondContact O-CE 3.46Å; H330-K333 PolarHBondContact O-NZ 2.85Å; H330-K333 VanDerWaalsContact O-NZ 3.15Å; R331-K333 PolarHBondContact O-N 2.97Å; K333-G335 PolarHBondContact O-N 2.91Å; K333-A336 PolarHBondContact O-N 2.78Å; K333-A337 WeakPolarHBondContact O-CB 3.34Å; K333-A337 PolarHBondContact O-N 2.89Å
334	C	98.6	Very high	97.3	Very high	9 Å²	9	22.4 Å²	22.4	6%	0.061	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-25.8	-176.2	-74.3	0	0	0	0	113.2	G229 R331 A337 A338 T423 I533 N537	G229-C334 VanDerWaalsContact CA-SG 3.57Å; R331-C334 WeakPolarHBondContact O-CB 3.29Å; R331-C334 PolarHBondContact O-N 3.35Å; R331-C334 PolarHBondContact O-SG 3.11Å; C334-A337 WeakPolarHBondContact O-CB 3.22Å; C334-A337 PolarHBondContact O-N 2.93Å; C334-A338 WeakPolarHBondContact O-CB 3.3Å; C334-A338 PolarHBondContact O-N 2.74Å; C334-T423 HydrophobicContact CB-CG2 3.66Å; C334-I533 HydrophobicContact CB-CD1 4.11Å; C334-N537 HydrophobicContact CB-CB 4.17Å
335	G	98.8	Very high	97.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-49	174.8	0	0	0	0	0	112.6	K309 K333 A337 A338 V339 I421	K309-G335 PolarHBondContact O-N 2.9Å; K333-G335 PolarHBondContact O-N 2.91Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A338 PolarHBondContact O-N 3.46Å; G335-V339 PolarHBondContact O-N 2.71Å; G335-I421 VanDerWaalsContact CA-O 3.23Å; G335-I421 WeakPolarHBondContact CA-O 3.42Å
336	A	98.9	Very high	97.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-37.8	171.9	0	0	0	0	0	112.3	K309 K333 A338 V339 A340 L360 L362	K309-A336 WeakPolarHBondContact O-CB 3.46Å; K309-A336 PolarHBondContact O-N 2.83Å; K333-A336 PolarHBondContact O-N 2.78Å; A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.17Å; A336-V339 PolarHBondContact O-N 2.93Å; A336-A340 WeakPolarHBondContact O-CB 3.38Å; A336-A340 PolarHBondContact O-N 3.4Å; A336-L360 HydrophobicContact CB-CB 4.13Å; A336-L360 HydrophobicContact CB-CD2 4.13Å; A336-L362 HydrophobicContact CB-CD2 3.85Å
337	A	98.9	Very high	98	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-41.2	176	0	0	0	0	0	112.1	A225 I228 K333 C334 G335 A340 G341	A225-A337 HydrophobicContact CB-CB 4.35Å; A225-A337 WeakPolarHBondContact CB-O 3.45Å; A225-A337 WeakPolarHBondContact O-CB 3.38Å; I228-A337 HydrophobicContact CB-CB 3.79Å; I228-A337 HydrophobicContact CG2-CB 3.72Å; K333-A337 WeakPolarHBondContact O-CB 3.34Å; K333-A337 PolarHBondContact O-N 2.89Å; C334-A337 WeakPolarHBondContact O-CB 3.22Å; C334-A337 PolarHBondContact O-N 2.93Å; G335-A337 VanDerWaalsContact C-N 3.33Å; A337-A340 PolarHBondContact O-N 3.06Å; A337-G341 PolarHBondContact O-N 3.19Å
338	A	98.9	Very high	98.2	Very high	2 Å²	2	11.9 Å²	11.9	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-66.2	-43	178	0	0	0	0	0	112.1	C334 G335 A336 G341 F342 I421 T547 I549	C334-A338 WeakPolarHBondContact O-CB 3.3Å; C334-A338 PolarHBondContact O-N 2.74Å; G335-A338 PolarHBondContact O-N 3.46Å; A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.17Å; A338-G341 PolarHBondContact O-N 3.33Å; A338-F342 PolarHBondContact O-N 2.79Å; A338-I421 HydrophobicContact CB-CG2 4.29Å; A338-T547 WeakPolarHBondContact CB-O 3.42Å; A338-I549 HydrophobicContact CB-CG1 4.42Å; A338-I549 WeakPolarHBondContact O-CG1 3.39Å
339	V	98.9	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.6	-49.1	173.7	176.8	0	0	0	0	110.4	L306 G335 A336 G341 F342 F343 L360 I421	L306-V339 HydrophobicContact CB-CG1 3.89Å; L306-V339 HydrophobicContact CB-CG2 3.97Å; L306-V339 HydrophobicContact CD1-CG1 4.29Å; G335-V339 PolarHBondContact O-N 2.71Å; A336-V339 PolarHBondContact O-N 2.93Å; V339-G341 VanDerWaalsContact C-N 3.35Å; V339-G341 PolarHBondContact O-N 2.99Å; V339-F342 PolarHBondContact O-N 3.38Å; V339-F343 HydrophobicContact CG1-CD2 4.13Å; V339-F343 HydrophobicContact CG1-CE2 4.18Å; V339-F343 WeakPolarHBondContact O-CD2 3.48Å; V339-F343 PolarHBondContact O-N 2.9Å; V339-L360 HydrophobicContact CB-CD2 3.6Å; V339-L360 HydrophobicContact CG1-CD2 3.57Å; V339-L360 HydrophobicContact CG2-CD2 4.44Å; V339-I421 HydrophobicContact CG2-CD1 3.98Å
340	A	98.9	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.5	-42.8	177.5	0	0	0	0	0	113.2	V224 I228 L245 A336 A337 F343 K344 L360	V224-A340 HydrophobicContact CG1-CB 4.4Å; I228-A340 HydrophobicContact CD1-CB 3.96Å; L245-A340 HydrophobicContact CD1-CB 4.24Å; L245-A340 HydrophobicContact CD2-CB 3.69Å; A336-A340 WeakPolarHBondContact O-CB 3.38Å; A336-A340 PolarHBondContact O-N 3.4Å; A337-A340 PolarHBondContact O-N 3.06Å; A340-F343 WeakPolarHBondContact O-CB 3.48Å; A340-F343 PolarHBondContact O-N 3.33Å; A340-K344 PolarHBondContact O-N 3.01Å; A340-L360 HydrophobicContact CB-CD1 4.21Å
341	G	98.8	Very high	98.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-38.2	176.2	0	0	0	0	0	112.7	G221 A337 A338 V339 F343 K344 V345	G221-G341 WeakPolarHBondContact CA-O 3.41Å; G221-G341 WeakPolarHBondContact O-CA 3.33Å; A337-G341 PolarHBondContact O-N 3.19Å; A338-G341 PolarHBondContact O-N 3.33Å; V339-G341 VanDerWaalsContact C-N 3.35Å; V339-G341 PolarHBondContact O-N 2.99Å; G341-F343 VanDerWaalsContact C-N 3.32Å; G341-F343 PolarHBondContact O-N 3.42Å; G341-K344 WeakPolarHBondContact O-CB 3.31Å; G341-K344 PolarHBondContact O-N 3.19Å; G341-K344 VanDerWaalsContact O-N 3.11Å; G341-V345 PolarHBondContact O-N 3.42Å; G341-V345 VanDerWaalsContact O-N 3.1Å
342	F	98.9	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.8	-39.3	172.6	-174	-116.3	0	0	0	111.8	L304 L306 A338 V339 K344 V345 L346 V356 I549 L552 I557	L304-F342 HydrophobicContact CD2-CE1 4.12Å; L306-F342 HydrophobicContact CD1-CD1 3.73Å; L306-F342 HydrophobicContact CD1-CE1 4.26Å; A338-F342 PolarHBondContact O-N 2.79Å; V339-F342 PolarHBondContact O-N 3.38Å; F342-K344 VanDerWaalsContact C-N 3.28Å; F342-K344 PolarHBondContact O-N 3.34Å; F342-V345 WeakPolarHBondContact O-CA 3.23Å; F342-V345 WeakPolarHBondContact O-CB 3.46Å; F342-V345 PolarHBondContact O-N 3.05Å; F342-L346 HydrophobicContact CD1-CD1 4.02Å; F342-L346 HydrophobicContact CD1-CG 4.36Å; F342-L346 HydrophobicContact CE1-CD1 3.87Å; F342-L346 HydrophobicContact CE1-CD2 4.19Å; F342-L346 HydrophobicContact CE1-CG 4.15Å; F342-L346 HydrophobicContact CZ-CD2 4.1Å; F342-L346 HydrophobicContact CZ-CG 4.41Å; F342-L346 WeakPolarHBondContact O-CG 3.41Å; F342-L346 PolarHBondContact O-N 2.86Å; F342-V356 HydrophobicContact CE1-CG1 4.34Å; F342-V356 HydrophobicContact CE1-CG2 4.31Å; F342-I549 HydrophobicContact CB-CG1 4.38Å; F342-L552 HydrophobicContact CB-CD1 4.19Å; F342-L552 HydrophobicContact CD1-CD1 4.06Å; F342-L552 HydrophobicContact CD2-CB 3.63Å; F342-L552 HydrophobicContact CD2-CD1 4.12Å; F342-L552 HydrophobicContact CE1-CB 4.4Å; F342-L552 HydrophobicContact CE1-CD1 4.48Å; F342-L552 HydrophobicContact CE2-CB 3.45Å; F342-L552 VanDerWaalsContact CE2-CB 3.45Å; F342-L552 HydrophobicContact CG-CB 4.21Å; F342-L552 HydrophobicContact CG-CD1 3.86Å; F342-L552 HydrophobicContact CZ-CB 3.86Å; F342-I557 HydrophobicContact CE2-CD1 3.64Å; F342-I557 HydrophobicContact CE2-CG1 4.43Å; F342-I557 HydrophobicContact CZ-CD1 3.97Å; F342-I557 HydrophobicContact CZ-CG1 4.49Å
343	F	98.8	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.2	-31.6	172.6	-91.4	-92.8	0	0	0	113.5	L249 V253 L286 V339 A340 G341 L346 N347 V356 G358	L249-F343 HydrophobicContact CD1-CB 4.39Å; L249-F343 HydrophobicContact CD2-CB 4.25Å; V253-F343 HydrophobicContact CG1-CD1 3.71Å; V253-F343 HydrophobicContact CG1-CE1 4.3Å; V253-F343 HydrophobicContact CG2-CD1 4.08Å; L286-F343 HydrophobicContact CB-CD1 3.58Å; L286-F343 HydrophobicContact CB-CD2 4.02Å; L286-F343 HydrophobicContact CB-CE1 3.44Å; L286-F343 VanDerWaalsContact CB-CE1 3.44Å; L286-F343 HydrophobicContact CB-CE2 3.92Å; L286-F343 HydrophobicContact CB-CG 3.86Å; L286-F343 HydrophobicContact CB-CZ 3.62Å; L286-F343 HydrophobicContact CD1-CB 3.92Å; L286-F343 HydrophobicContact CD1-CD1 4.25Å; L286-F343 HydrophobicContact CD1-CD2 3.79Å; L286-F343 HydrophobicContact CD1-CE2 4.39Å; L286-F343 HydrophobicContact CD1-CG 3.7Å; L286-F343 HydrophobicContact CG-CG 4.42Å; L286-F343 VanDerWaalsContact O-CZ 3.25Å; L286-F343 WeakPolarHBondContact O-CZ 3.16Å; V339-F343 HydrophobicContact CG1-CD2 4.13Å; V339-F343 HydrophobicContact CG1-CE2 4.18Å; V339-F343 WeakPolarHBondContact O-CD2 3.48Å; V339-F343 PolarHBondContact O-N 2.9Å; A340-F343 WeakPolarHBondContact O-CB 3.48Å; A340-F343 PolarHBondContact O-N 3.33Å; G341-F343 VanDerWaalsContact C-N 3.32Å; G341-F343 PolarHBondContact O-N 3.42Å; F343-L346 HydrophobicContact CD1-CD1 4.28Å; F343-L346 HydrophobicContact CE1-CD1 4.4Å; F343-L346 HydrophobicContact CG-CD1 4.4Å; F343-L346 PolarHBondContact O-N 3.38Å; F343-N347 VanDerWaalsContact O-CB 3.31Å; F343-N347 WeakPolarHBondContact O-CB 3.29Å; F343-N347 PolarHBondContact O-N 3.26Å; F343-V356 HydrophobicContact CE2-CB 4.44Å; F343-V356 HydrophobicContact CE2-CG1 3.7Å; F343-V356 HydrophobicContact CZ-CB 3.96Å; F343-V356 HydrophobicContact CZ-CG1 3.67Å; F343-V356 WeakPolarHBondContact CZ-O 3.43Å; F343-G358 VanDerWaalsContact CE2-CA 3.49Å; F343-G358 VanDerWaalsContact CZ-N 3.27Å
344	K	98.6	Very high	97.3	Very high	17 Å²	17	16.7 Å²	16.7	7%	0.074	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-39.8	170.6	179.8	60.3	168.5	178.4	0	111.5	E220 V224 E248 L249 A340 G341 F342 N347 L348	E220-K344 HydrophobicContact CB-CG 4.16Å; V224-K344 HydrophobicContact CB-CB 4.44Å; V224-K344 HydrophobicContact CG2-CB 4.16Å; V224-K344 HydrophobicContact CG2-CD 4.49Å; V224-K344 HydrophobicContact CG2-CG 3.92Å; E248-K344 PolarHBondContact O-NZ 3.29Å; L249-K344 HydrophobicContact CD2-CB 4.15Å; L249-K344 HydrophobicContact CD2-CD 4.44Å; A340-K344 PolarHBondContact O-N 3.01Å; G341-K344 WeakPolarHBondContact O-CB 3.31Å; G341-K344 PolarHBondContact O-N 3.19Å; G341-K344 VanDerWaalsContact O-N 3.11Å; F342-K344 VanDerWaalsContact C-N 3.28Å; F342-K344 PolarHBondContact O-N 3.34Å; K344-N347 PolarHBondContact O-N 2.74Å; K344-L348 HydrophobicContact CD-CD1 4.35Å; K344-L348 HydrophobicContact CD-CG 4.38Å; K344-L348 HydrophobicContact CG-CD1 4.41Å; K344-L348 WeakPolarHBondContact O-CG 3.44Å; K344-L348 PolarHBondContact O-N 3.32Å; K344-L348 VanDerWaalsContact O-N 3.17Å
345	V	98.6	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-46	172.5	-179.5	0	0	0	0	111	L218 G341 F342 N347 L348 L349 I549 I557	L218-V345 HydrophobicContact CD2-CG1 3.87Å; L218-V345 HydrophobicContact CD2-CG2 4.24Å; G341-V345 PolarHBondContact O-N 3.42Å; G341-V345 VanDerWaalsContact O-N 3.1Å; F342-V345 WeakPolarHBondContact O-CA 3.23Å; F342-V345 WeakPolarHBondContact O-CB 3.46Å; F342-V345 PolarHBondContact O-N 3.05Å; V345-N347 PolarHBondContact O-N 2.59Å; V345-L348 PolarHBondContact O-N 3.33Å; V345-L349 HydrophobicContact CG1-CD1 3.61Å; V345-L349 HydrophobicContact CG1-CG 4.18Å; V345-L349 WeakPolarHBondContact O-CB 3.45Å; V345-L349 PolarHBondContact O-N 3.49Å; V345-I549 HydrophobicContact CG2-CG2 3.95Å; V345-I557 HydrophobicContact CG1-CD1 3.74Å
346	L	98.5	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-42.7	177.4	-63.4	173.3	0	0	0	112.4	Y288 F342 F343 L348 K350 P351 L354 V356 I557	Y288-L346 HydrophobicContact CD1-CB 4.25Å; Y288-L346 HydrophobicContact CD1-CD1 4.03Å; Y288-L346 HydrophobicContact CD1-CD2 4.11Å; Y288-L346 HydrophobicContact CD1-CG 4.36Å; Y288-L346 HydrophobicContact CD2-CB 3.89Å; Y288-L346 HydrophobicContact CE1-CD2 4.2Å; Y288-L346 HydrophobicContact CE2-CB 4.21Å; Y288-L346 HydrophobicContact CG-CB 3.92Å; Y288-L346 HydrophobicContact CG-CD1 3.96Å; Y288-L346 HydrophobicContact CG-CG 4.38Å; F342-L346 HydrophobicContact CD1-CD1 4.02Å; F342-L346 HydrophobicContact CD1-CG 4.36Å; F342-L346 HydrophobicContact CE1-CD1 3.87Å; F342-L346 HydrophobicContact CE1-CD2 4.19Å; F342-L346 HydrophobicContact CE1-CG 4.15Å; F342-L346 HydrophobicContact CZ-CD2 4.1Å; F342-L346 HydrophobicContact CZ-CG 4.41Å; F342-L346 WeakPolarHBondContact O-CG 3.41Å; F342-L346 PolarHBondContact O-N 2.86Å; F343-L346 HydrophobicContact CD1-CD1 4.28Å; F343-L346 HydrophobicContact CE1-CD1 4.4Å; F343-L346 HydrophobicContact CG-CD1 4.4Å; F343-L346 PolarHBondContact O-N 3.38Å; L346-L348 VanDerWaalsContact C-N 3.28Å; L346-L348 PolarHBondContact O-N 3.42Å; L346-K350 WeakPolarHBondContact O-CA 3.45Å; L346-K350 PolarHBondContact O-N 3.23Å; L346-P351 HydrophobicContact CD2-CG 3.59Å; L346-L354 HydrophobicContact CD2-CD2 3.86Å; L346-V356 HydrophobicContact CD1-CB 3.76Å; L346-V356 HydrophobicContact CD1-CG1 4.14Å; L346-V356 HydrophobicContact CD1-CG2 3.58Å; L346-V356 HydrophobicContact CD2-CG2 4.43Å; L346-I557 HydrophobicContact CD2-CD1 3.86Å
347	N	97.6	Very high	97.2	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-57.6	-40.4	177.1	169	-104.3	0	0	0	112.2	L249 T250 E251 V253 F343 K344 V345 K350	L249-N347 HydrophobicContact CD2-CB 4.49Å; T250-N347 PolarHBondContact N-ND2 3.31Å; T250-N347 PolarHBondContact O-ND2 2.67Å; T250-N347 PolarHBondContact OG1-ND2 2.78Å; E251-N347 PolarHBondContact O-ND2 3.09Å; V253-N347 HydrophobicContact CG2-CB 3.87Å; F343-N347 VanDerWaalsContact O-CB 3.31Å; F343-N347 WeakPolarHBondContact O-CB 3.29Å; F343-N347 PolarHBondContact O-N 3.26Å; K344-N347 PolarHBondContact O-N 2.74Å; V345-N347 PolarHBondContact O-N 2.59Å; N347-K350 VanDerWaalsContact O-CE 3.31Å; N347-K350 WeakPolarHBondContact O-CE 3.42Å; N347-K350 WeakPolarHBondContact O-CG 3.41Å
348	L	97	Very high	97.2	Very high	48 Å²	48	20.4 Å²	20.4	25%	0.251	10%	0.095	S	C	.	.	H	α-helix	trans	-82.3	-50.3	-178.1	-66	176.2	0	0	0	112.9	W216 C217 E220 K344 V345 L346	W216-L348 HydrophobicContact CH2-CD1 4.44Å; W216-L348 HydrophobicContact CH2-CD2 4.2Å; W216-L348 HydrophobicContact CZ3-CD1 4.31Å; W216-L348 HydrophobicContact CZ3-CD2 4.34Å; C217-L348 HydrophobicContact CB-CB 4.16Å; C217-L348 HydrophobicContact CB-CD1 4.22Å; E220-L348 HydrophobicContact CB-CD1 3.54Å; E220-L348 HydrophobicContact CG-CD1 3.87Å; K344-L348 HydrophobicContact CD-CD1 4.35Å; K344-L348 HydrophobicContact CD-CG 4.38Å; K344-L348 HydrophobicContact CG-CD1 4.41Å; K344-L348 WeakPolarHBondContact O-CG 3.44Å; K344-L348 PolarHBondContact O-N 3.32Å; K344-L348 VanDerWaalsContact O-N 3.17Å; V345-L348 PolarHBondContact O-N 3.33Å; L346-L348 VanDerWaalsContact C-N 3.28Å; L346-L348 PolarHBondContact O-N 3.42Å
349	L	96.7	Very high	97.2	Very high	33 Å²	33	20.6 Å²	20.6	17%	0.173	10%	0.096	C	C	.	.	H	α-helix	trans	-79.6	-27.1	-173.9	-68	-176.5	0	0	0	113.6	L214 C217 V345 I557	L214-L349 HydrophobicContact CD2-CD1 4.05Å; L214-L349 HydrophobicContact CD2-CD2 3.65Å; C217-L349 HydrophobicContact CB-CD1 4.31Å; C217-L349 HydrophobicContact CB-CD2 3.56Å; C217-L349 HydrophobicContact CB-CG 3.76Å; C217-L349 VanDerWaalsContact SG-CD2 3.5Å; V345-L349 HydrophobicContact CG1-CD1 3.61Å; V345-L349 HydrophobicContact CG1-CG 4.18Å; V345-L349 WeakPolarHBondContact O-CB 3.45Å; V345-L349 PolarHBondContact O-N 3.49Å; L349-I557 HydrophobicContact CD1-CG2 3.61Å
350	K	96	Very high	97.2	Very high	117 Å²	117	20.7 Å²	20.7	51%	0.509	10%	0.096	S	C	.	.			trans	48	52.5	-178.2	-53.4	-178.2	-173.3	-174.3	0	112.6	P252 Y288 L346 N347	P252-K350 HydrophobicContact CG-CD 4.36Å; P252-K350 HydrophobicContact CG-CG 4.2Å; Y288-K350 WeakPolarHBondContact OH-CA 3.48Å; Y288-K350 PolarHBondContact OH-O 3.16Å; L346-K350 WeakPolarHBondContact O-CA 3.45Å; L346-K350 PolarHBondContact O-N 3.23Å; N347-K350 VanDerWaalsContact O-CE 3.31Å; N347-K350 WeakPolarHBondContact O-CE 3.42Å; N347-K350 WeakPolarHBondContact O-CG 3.41Å
351	P	94.7	Very high	97.2	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.013	10%	0.097	C	C	.	.			trans	-59.9	141.3	-179.9	28.6	-36	0	0	0	110.8	Y288 L346 L354 I557	Y288-P351 HydrophobicContact CE1-CG 4.12Å; Y288-P351 WeakPolarHBondContact OH-CD 3.48Å; Y288-P351 VanDerWaalsContact OH-N 3.13Å; Y288-P351 PolarHBondContact OH-O 3.26Å; L346-P351 HydrophobicContact CD2-CG 3.59Å; P351-L354 HydrophobicContact CG-CD2 4.3Å; P351-I557 HydrophobicContact CB-CG1 4.35Å; P351-I557 HydrophobicContact CB-CG2 4.21Å; P351-I557 HydrophobicContact CG-CD1 4.3Å; P351-I557 HydrophobicContact CG-CG1 4.1Å
352	K	91.6	Very high	97.2	Very high	89 Å²	89	20.8 Å²	20.8	39%	0.387	10%	0.097	S	C	.	.	S	Bend	trans	-77.5	169.2	176.9	-58.7	-167.7	-170.1	171.5	0	109.9	S291 E293 L354	S291-K352 WeakPolarHBondContact O-CA 3.12Å; S291-K352 WeakPolarHBondContact O-CB 3.36Å; E293-K352 HydrophobicContact CG-CD 3.78Å; E293-K352 VanDerWaalsContact OE1-CD 3.31Å; E293-K352 WeakPolarHBondContact OE1-CD 3.35Å; E293-K352 IonicContact OE1-NZ 3.31Å; E293-K352 PolarHBondContact OE1-NZ 3.44Å; K352-L354 PolarHBondContact O-N 3.39Å
353	N	90.4	Very high	97.1	Very high	19 Å²	19	20.8 Å²	20.8	10%	0.102	10%	0.097	C	C	.	.	S	Bend	trans	60.4	26	163	-44.5	-39	0	0	0	114.8	S291 E293 I296 L301	S291-N353 PolarHBondContact O-N 2.7Å; E293-N353 PolarHBondContact N-OD1 2.93Å; E293-N353 VanDerWaalsContact N-OD1 3.07Å; I296-N353 HydrophobicContact CD1-CB 3.43Å; I296-N353 VanDerWaalsContact CD1-CB 3.43Å; I296-N353 VanDerWaalsContact CD1-ND2 3.26Å; I296-N353 WeakPolarHBondContact CD1-ND2 3.35Å; I296-N353 WeakPolarHBondContact CD1-OD1 3.48Å; L301-N353 VanDerWaalsContact CD1-O 3.31Å; L301-N353 WeakPolarHBondContact CD1-O 3.34Å
354	L	94.5	Very high	97.1	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.026	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	128.1	-179.8	-179.1	64.7	0	0	0	109.2	Y288 G290 V302 L346 P351 K352 V356 Y556	Y288-L354 WeakPolarHBondContact CE1-O 3.49Å; G290-L354 WeakPolarHBondContact CA-O 3.43Å; G290-L354 PolarHBondContact N-O 2.91Å; V302-L354 HydrophobicContact CB-CD1 4.17Å; V302-L354 HydrophobicContact CG1-CD1 4.15Å; L346-L354 HydrophobicContact CD2-CD2 3.86Å; P351-L354 HydrophobicContact CG-CD2 4.3Å; K352-L354 PolarHBondContact O-N 3.39Å; L354-V356 HydrophobicContact CD1-CG2 4.12Å; L354-V356 HydrophobicContact CD2-CG2 3.84Å; L354-V356 HydrophobicContact CG-CG2 3.67Å; L354-Y556 HydrophobicContact CD1-CD1 4.43Å
355	K	97	Very high	97.1	Very high	62 Å²	62	21.6 Å²	21.6	27%	0.27	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.2	168.5	-69.1	-173.2	173.6	-179.8	0	109.3	Y288 L301 V302 N303 L304	Y288-K355 WeakPolarHBondContact O-CA 3.17Å; L301-K355 HydrophobicContact CD2-CD 3.95Å; L301-K355 HydrophobicContact CD2-CG 4.27Å; V302-K355 PolarHBondContact O-N 3.4Å; V302-K355 VanDerWaalsContact O-N 3.09Å; N303-K355 WeakPolarHBondContact OD1-CB 3.42Å; N303-K355 WeakPolarHBondContact OD1-CD 3.35Å; L304-K355 PolarHBondContact N-O 2.69Å
356	V	98.6	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.8	-178.5	-166.8	0	0	0	0	109.8	E287 Y288 L304 L306 F342 F343 L346 L354	E287-V356 WeakPolarHBondContact CA-O 3.44Å; Y288-V356 HydrophobicContact CD1-CG2 4.37Å; Y288-V356 PolarHBondContact N-O 3.37Å; Y288-V356 PolarHBondContact O-N 3.34Å; L304-V356 HydrophobicContact CB-CG1 4.28Å; L304-V356 HydrophobicContact CB-CG2 4.3Å; L304-V356 HydrophobicContact CD2-CG1 4.24Å; L304-V356 HydrophobicContact CD2-CG2 4.49Å; L304-V356 HydrophobicContact CG-CG1 4.36Å; L304-V356 CarbonylContact O-C 3.58Å; L304-V356 VanDerWaalsContact O-CA 3.29Å; L304-V356 WeakPolarHBondContact O-CA 3.31Å; L306-V356 HydrophobicContact CD1-CG1 3.94Å; L306-V356 HydrophobicContact CG-CG1 4.17Å; F342-V356 HydrophobicContact CE1-CG1 4.34Å; F342-V356 HydrophobicContact CE1-CG2 4.31Å; F343-V356 HydrophobicContact CE2-CB 4.44Å; F343-V356 HydrophobicContact CE2-CG1 3.7Å; F343-V356 HydrophobicContact CZ-CB 3.96Å; F343-V356 HydrophobicContact CZ-CG1 3.67Å; F343-V356 WeakPolarHBondContact CZ-O 3.43Å; L346-V356 HydrophobicContact CD1-CB 3.76Å; L346-V356 HydrophobicContact CD1-CG1 4.14Å; L346-V356 HydrophobicContact CD1-CG2 3.58Å; L346-V356 HydrophobicContact CD2-CG2 4.43Å; L354-V356 HydrophobicContact CD1-CG2 4.12Å; L354-V356 HydrophobicContact CD2-CG2 3.84Å; L354-V356 HydrophobicContact CG-CG2 3.67Å
357	H	98.7	Very high	96.9	Very high	27 Å²	27	26.9 Å²	26.9	13%	0.125	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.3	171.1	-60.6	-93.1	0	0	0	108.2	L286 E287 L304 F305 L306	L286-H357 CarbonylContact O-C 3.55Å; L286-H357 WeakPolarHBondContact O-CA 3.45Å; E287-H357 IonicContact OE1-CE1 3.35Å; E287-H357 IonicContact OE1-ND1 3.19Å; E287-H357 PolarHBondContact OE1-ND1 2.68Å; L304-H357 PolarHBondContact O-N 3.03Å; F305-H357 CarbonylContact C-O 3.56Å; F305-H357 WeakPolarHBondContact CA-O 3.16Å; F305-H357 HydrophobicContact CD1-CB 3.65Å; F305-H357 AromaticContact CD1-CD2 3.94Å; F305-H357 AromaticContact CD1-CG 3.96Å; F305-H357 HydrophobicContact CE1-CB 3.92Å; F305-H357 AromaticContact CE1-CD2 3.41Å; F305-H357 VanDerWaalsContact CE1-CD2 3.41Å; F305-H357 WeakPolarHBondContact CE1-CD2 3.46Å; F305-H357 AromaticContact CE1-CG 3.68Å; F305-H357 HydrophobicContact CG-CB 4.48Å; F305-H357 AromaticContact CZ-CD2 3.77Å; L306-H357 PolarHBondContact N-O 3.47Å
358	G	98.8	Very high	96.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.8	176.2	0	0	0	0	0	110.5	H285 L286 L306 F343	H285-G358 CarbonylContact C-O 3.54Å; H285-G358 WeakPolarHBondContact CA-O 3.4Å; L286-G358 PolarHBondContact N-O 3.41Å; L286-G358 PolarHBondContact O-N 3.18Å; L306-G358 CarbonylContact O-C 3.52Å; L306-G358 WeakPolarHBondContact O-CA 3.22Å; F343-G358 VanDerWaalsContact CE2-CA 3.49Å; F343-G358 VanDerWaalsContact CZ-N 3.27Å
359	T	98.9	Very high	96.6	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.4	171.8	-51.6	0	0	0	0	110	V283 V284 H285 L306 V307 G308 L402	V283-T359 HydrophobicContact CG1-CG2 3.76Å; V284-T359 CarbonylContact O-C 3.45Å; V284-T359 VanDerWaalsContact O-CA 3.29Å; V284-T359 WeakPolarHBondContact O-CA 3.39Å; H285-T359 PolarHBondContact ND1-OG1 2.92Å; L306-T359 PolarHBondContact O-N 2.93Å; V307-T359 WeakPolarHBondContact CA-O 3.5Å; G308-T359 PolarHBondContact N-O 3.47Å; T359-L402 HydrophobicContact CG2-CB 4.04Å; T359-L402 HydrophobicContact CG2-CD2 3.72Å; T359-L402 HydrophobicContact CG2-CG 3.69Å
360	L	98.9	Very high	96.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.9	-178.5	-42.8	-177.9	0	0	0	109.5	L245 V283 V284 L286 A336 V339 A340 L362	L245-L360 HydrophobicContact CD1-CD1 3.72Å; V283-L360 WeakPolarHBondContact CA-O 3.39Å; V284-L360 HydrophobicContact CB-CB 4.08Å; V284-L360 HydrophobicContact CB-CD1 4.17Å; V284-L360 HydrophobicContact CB-CG 4.16Å; V284-L360 HydrophobicContact CG1-CD1 4.26Å; V284-L360 PolarHBondContact N-O 3.46Å; V284-L360 VanDerWaalsContact N-O 3.13Å; V284-L360 PolarHBondContact O-N 3.04Å; L286-L360 HydrophobicContact CD1-CD1 4.38Å; A336-L360 HydrophobicContact CB-CB 4.13Å; A336-L360 HydrophobicContact CB-CD2 4.13Å; V339-L360 HydrophobicContact CB-CD2 3.6Å; V339-L360 HydrophobicContact CG1-CD2 3.57Å; V339-L360 HydrophobicContact CG2-CD2 4.44Å; A340-L360 HydrophobicContact CB-CD1 4.21Å; L360-L362 HydrophobicContact CB-CD2 4Å; L360-L362 HydrophobicContact CB-CG 4.12Å; L360-L362 PolarHBondContact O-N 3.37Å
361	G	98.8	Very high	96.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	90.8	172.3	0	0	0	0	0	110.2	G308 G310 V398 L402	G308-G361 PolarHBondContact O-N 2.94Å; G310-G361 CarbonylContact C-O 3.5Å; G310-G361 VanDerWaalsContact C-O 3.3Å; G310-G361 WeakPolarHBondContact CA-O 3.35Å; G310-G361 PolarHBondContact N-O 3.13Å; G361-V398 WeakPolarHBondContact O-CG1 3.21Å; G361-L402 VanDerWaalsContact CA-CD2 3.47Å
362	L	98.8	Very high	96.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	103	-176.7	-50.7	177.4	0	0	0	110.2	A238 I241 V242 G281 R282 V284 G310 A336 L360	A238-L362 HydrophobicContact CB-CB 3.78Å; I241-L362 HydrophobicContact CB-CD1 3.92Å; I241-L362 HydrophobicContact CD1-CD1 4.42Å; I241-L362 HydrophobicContact CD1-CD2 4.16Å; I241-L362 HydrophobicContact CG2-CD1 3.62Å; I241-L362 HydrophobicContact CG2-CD2 4.33Å; V242-L362 HydrophobicContact CG2-CD1 4.42Å; G281-L362 CarbonylContact C-O 3.57Å; G281-L362 WeakPolarHBondContact CA-O 3.29Å; R282-L362 HydrophobicContact CB-CB 4.21Å; R282-L362 HydrophobicContact CB-CD1 4.36Å; R282-L362 PolarHBondContact N-O 3.36Å; R282-L362 WeakPolarHBondContact O-CA 3.18Å; R282-L362 VanDerWaalsContact O-CB 3.32Å; R282-L362 WeakPolarHBondContact O-CB 3.32Å; R282-L362 PolarHBondContact O-N 3.1Å; V284-L362 HydrophobicContact CG2-CD1 3.8Å; G310-L362 VanDerWaalsContact O-CA 3.29Å; G310-L362 WeakPolarHBondContact O-CA 3.47Å; A336-L362 HydrophobicContact CB-CD2 3.85Å; L360-L362 HydrophobicContact CB-CD2 4Å; L360-L362 HydrophobicContact CB-CG 4.12Å; L360-L362 PolarHBondContact O-N 3.37Å
363	V	98.5	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	165.3	177.6	-59.2	0	0	0	0	110.2	V260 V271 D272 G310 V311 T312 V398	V260-V363 HydrophobicContact CG2-CG1 3.92Å; V271-V363 HydrophobicContact CG1-CG2 3.89Å; D272-V363 HydrophobicContact CB-CG1 4.29Å; G310-V363 PolarHBondContact O-N 3.33Å; G310-V363 VanDerWaalsContact O-N 3.08Å; V311-V363 CarbonylContact C-O 3.58Å; V311-V363 VanDerWaalsContact CA-O 3.29Å; V311-V363 WeakPolarHBondContact CA-O 3.44Å; V311-V363 HydrophobicContact CG2-CG2 4.26Å; T312-V363 PolarHBondContact N-O 3.1Å; T312-V363 PolarHBondContact OG1-O 3.02Å; V363-V398 HydrophobicContact CG2-CB 4.33Å; V363-V398 HydrophobicContact CG2-CG1 3.99Å; V363-V398 HydrophobicContact CG2-CG2 3.33Å
364	R	98.2	Very high	97.3	Very high	34 Å²	34	31.9 Å²	31.9	13%	0.128	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.3	163.7	-167.6	179	177.1	151.2	6	108.3	E234 N275 H279 T312 Y313 S366	E234-R364 IonicContact OE1-CZ 2.99Å; E234-R364 IonicContact OE1-NH1 3.6Å; E234-R364 PolarHBondContact OE1-NH1 2.95Å; N275-R364 PolarHBondContact ND2-N 3.46Å; N275-R364 PolarHBondContact ND2-O 2.7Å; N275-R364 WeakPolarHBondContact OD1-CB 3.44Å; N275-R364 PolarHBondContact OD1-O 3.03Å; H279-R364 HydrophobicContact CB-CB 4.29Å; H279-R364 PolarHBondContact CD2-NH1 2.76Å; H279-R364 PolarHBondContact CE1-NH1 3.09Å; H279-R364 PolarHBondContact ND1-NH1 3.43Å; H279-R364 PolarHBondContact NE2-NH1 2.96Å; T312-R364 WeakPolarHBondContact OG1-CB 3.31Å; Y313-R364 VanDerWaalsContact O-CG 3.32Å; Y313-R364 WeakPolarHBondContact O-CG 3.39Å; R364-S366 VanDerWaalsContact CD-OG 3.26Å; R364-S366 WeakPolarHBondContact CD-OG 3.14Å; R364-S366 VanDerWaalsContact CG-OG 3.3Å; R364-S366 WeakPolarHBondContact CG-OG 3.3Å; R364-S366 PolarHBondContact O-N 2.69Å
365	N	98.1	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	85.2	173.1	-174.1	27.2	0	0	0	108.4	V271 V311 Y313 D314 T315 G316 G317 T391 E394	V271-N365 HydrophobicContact CG1-CB 4.16Å; V311-N365 HydrophobicContact CG1-CB 4.15Å; Y313-N365 PolarHBondContact O-N 3.29Å; D314-N365 WeakPolarHBondContact OD1-CB 3.38Å; D314-N365 PolarHBondContact OD1-ND2 2.99Å; T315-N365 WeakPolarHBondContact CB-O 3.47Å; T315-N365 PolarHBondContact N-O 3.43Å; T315-N365 PolarHBondContact OG1-O 3.36Å; G316-N365 VanDerWaalsContact C-ND2 3.28Å; G316-N365 WeakPolarHBondContact CA-ND2 3.45Å; G317-N365 PolarHBondContact N-ND2 3.45Å; N365-T391 PolarHBondContact ND2-O 3.25Å; N365-T391 VanDerWaalsContact ND2-O 3.08Å; N365-E394 HydrophobicContact CB-CB 4.34Å; N365-E394 HydrophobicContact CB-CG 3.77Å; N365-E394 WeakPolarHBondContact ND2-CG 3.47Å
366	S	97.3	Very high	97.4	Very high	14 Å²	14	35.9 Å²	35.9	10%	0.098	20%	0.195	C	C	.	.			trans	-101.7	145.2	-175	-54.9	0	0	0	0	111.8	N275 R364	N275-S366 WeakPolarHBondContact OD1-CB 3.42Å; N275-S366 PolarHBondContact OD1-OG 3.29Å; R364-S366 VanDerWaalsContact CD-OG 3.26Å; R364-S366 WeakPolarHBondContact CD-OG 3.14Å; R364-S366 VanDerWaalsContact CG-OG 3.3Å; R364-S366 WeakPolarHBondContact CG-OG 3.3Å; R364-S366 PolarHBondContact O-N 2.69Å
367	I	94.9	Very high	97.3	Very high	98 Å²	98	39.1 Å²	39.1	50%	0.503	21%	0.212	S	C	.	.			trans	-78.3	126.4	157.7	-166.4	167.8	0	0	0	109.4	T315 L320	T315-I367 PolarHBondContact OG1-N 3.04Å; L320-I367 HydrophobicContact CD1-CB 4.41Å; L320-I367 HydrophobicContact CD1-CD1 4.47Å; L320-I367 HydrophobicContact CD1-CG2 4.06Å
368	G	93.7	Very high	97.3	Very high	32 Å²	32	38.7 Å²	38.7	33%	0.33	21%	0.211	S	C	.	.			trans	-159.3	171.9	-177.8	0	0	0	0	0	110.3	N370 A371	G368-N370 PolarHBondContact O-N 2.88Å; G368-N370 VanDerWaalsContact O-N 3.12Å; G368-A371 VanDerWaalsContact O-CB 3.24Å; G368-A371 WeakPolarHBondContact O-CB 3.17Å; G368-A371 PolarHBondContact O-N 2.96Å
369	E	95.2	Very high	97.3	Very high	187 Å²	187	42 Å²	42	87%	0.874	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.3	-177.4	66.1	-176.3	-163.1	0	0	113.4
370	N	95.8	Very high	97.3	Very high	91 Å²	91	42 Å²	42	49%	0.487	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	16.9	178.1	-62.8	-53.5	0	0	0	111.8	R273 G368	R273-N370 CarbonylContact C-O 3.55Å; R273-N370 WeakPolarHBondContact CB-O 2.88Å; R273-N370 WeakPolarHBondContact CD-O 3.15Å; R273-N370 HydrophobicContact CG-CB 4.17Å; R273-N370 WeakPolarHBondContact CG-O 3.28Å; R273-N370 PolarHBondContact NE-O 3.34Å; R273-N370 WeakPolarHBondContact O-CB 3.11Å; G368-N370 PolarHBondContact O-N 2.88Å; G368-N370 VanDerWaalsContact O-N 3.12Å
371	A	97.4	Very high	97.3	Very high	8 Å²	8	45.4 Å²	45.4	7%	0.066	24%	0.244	C	C	.	.			trans	-57	145.8	175.8	0	0	0	0	0	110.5	R273 G368	R273-A371 PolarHBondContact NH2-O 3.34Å; G368-A371 VanDerWaalsContact O-CB 3.24Å; G368-A371 WeakPolarHBondContact O-CB 3.17Å; G368-A371 PolarHBondContact O-N 2.96Å
372	Y	97.5	Very high	97.3	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.259	C	S	.	.			trans	-75.2	143.8	170.4	77.1	-64.2	0	0	0	110.5	I270 V271 R273 S318 E376 V388 T391 E394	I270-Y372 HydrophobicContact CD1-CD2 4.15Å; I270-Y372 HydrophobicContact CD1-CG 4.39Å; I270-Y372 HydrophobicContact CG1-CD2 3.84Å; I270-Y372 HydrophobicContact CG1-CG 3.71Å; I270-Y372 HydrophobicContact CG2-CD2 4.46Å; I270-Y372 VanDerWaalsContact O-CD1 3.24Å; I270-Y372 WeakPolarHBondContact O-CD1 3.45Å; V271-Y372 HydrophobicContact CB-CE1 4.28Å; V271-Y372 HydrophobicContact CG1-CE1 4.42Å; V271-Y372 HydrophobicContact CG2-CE1 4.2Å; R273-Y372 VanDerWaalsContact NH2-CA 3.27Å; S318-Y372 PolarHBondContact OG-O 3.29Å; Y372-E376 WeakPolarHBondContact CA-OE1 3.12Å; Y372-V388 HydrophobicContact CD2-CG1 3.92Å; Y372-V388 HydrophobicContact CD2-CG2 4.22Å; Y372-V388 HydrophobicContact CE2-CG1 3.76Å; Y372-V388 HydrophobicContact CE2-CG2 4.37Å; Y372-T391 HydrophobicContact CD2-CG2 3.88Å; Y372-T391 HydrophobicContact CE1-CG2 4.35Å; Y372-T391 HydrophobicContact CE2-CG2 3.68Å; Y372-T391 HydrophobicContact CG-CG2 4.33Å; Y372-T391 WeakPolarHBondContact O-CG2 3.33Å; Y372-T391 WeakPolarHBondContact OH-CA 3.42Å; Y372-T391 PolarHBondContact OH-O 2.87Å; Y372-E394 WeakPolarHBondContact OH-CB 3.42Å
373	V	97.5	Very high	97.2	Very high	68 Å²	68	49.4 Å²	49.4	41%	0.412	28%	0.282	S	S	.	.			trans	-113.9	158.6	-177.2	-64.9	0	0	0	0	110	E376	V373-E376 HydrophobicContact CG2-CG 3.97Å; V373-E376 PolarHBondContact N-OE1 2.99Å; V373-E376 PolarHBondContact O-N 3.5Å
374	S	95.6	Very high	97.2	Very high	32 Å²	32	50.5 Å²	50.5	22%	0.224	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	151.8	163	-77.1	0	0	0	0	110	D319 E376 V388 N389 N390	D319-S374 PolarHBondContact OD2-OG 3.13Å; S374-E376 VanDerWaalsContact C-N 3.33Å; S374-V388 CarbonylContact C-O 3.52Å; S374-V388 WeakPolarHBondContact CA-O 3.43Å; S374-N389 VanDerWaalsContact OG-C 3.26Å; S374-N389 PolarHBondContact OG-O 3.31Å; S374-N390 PolarHBondContact OG-N 3.38Å
375	D	95.9	Very high	97.2	Very high	105 Å²	105	52.9 Å²	52.9	56%	0.561	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-3.6	-173.5	-55.7	-36.5	0	0	0	117.3	R387 V388	D375-R387 VanDerWaalsContact CB-CZ 3.48Å; D375-R387 PolarHBondContact O-NH1 2.76Å; D375-R387 IonicContact OD1-CZ 3.29Å; D375-R387 VanDerWaalsContact OD1-CZ 3.29Å; D375-R387 IonicContact OD1-NE 2.74Å; D375-R387 PolarHBondContact OD1-NE 3.34Å; D375-R387 IonicContact OD1-NH2 2.67Å; D375-R387 PolarHBondContact OD1-NH2 3.32Å; D375-R387 IonicContact OD2-NH2 3.94Å; D375-V388 PolarHBondContact N-O 2.91Å
376	E	97.7	Very high	97.3	Very high	46 Å²	46	52.9 Å²	52.9	22%	0.215	30%	0.298	C	S	.	.			trans	-70.4	149.9	167.7	-69.4	-171	-121.8	0	0	112.1	I270 R273 Y372 V373 S374 V388	I270-E376 HydrophobicContact CD1-CB 4.28Å; R273-E376 IonicContact CZ-OE1 3.73Å; R273-E376 IonicContact CZ-OE2 2.79Å; R273-E376 IonicContact NH1-OE1 3.04Å; R273-E376 PolarHBondContact NH1-OE1 3.04Å; R273-E376 IonicContact NH1-OE2 3.71Å; R273-E376 PolarHBondContact NH1-OE2 2.91Å; R273-E376 IonicContact NH2-OE1 2.69Å; R273-E376 PolarHBondContact NH2-OE1 2.64Å; R273-E376 IonicContact NH2-OE2 3.5Å; Y372-E376 WeakPolarHBondContact CA-OE1 3.12Å; V373-E376 HydrophobicContact CG2-CG 3.97Å; V373-E376 PolarHBondContact N-OE1 2.99Å; V373-E376 PolarHBondContact O-N 3.5Å; S374-E376 VanDerWaalsContact C-N 3.33Å; E376-V388 PolarHBondContact O-N 3.3Å
377	I	98.2	Very high	97.3	Very high	68 Å²	68	54 Å²	54	35%	0.349	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.4	173.9	-59.7	160.8	0	0	0	108.1	R385 V386 R387 Y484	I377-R385 HydrophobicContact CG2-CB 4.04Å; I377-V386 WeakPolarHBondContact CA-O 3.12Å; I377-R387 HydrophobicContact CG1-CB 4.45Å; I377-Y484 HydrophobicContact CD1-CD2 3.32Å; I377-Y484 HydrophobicContact CD1-CE2 3.87Å; I377-Y484 HydrophobicContact CD1-CG 4.21Å
378	V	98.2	Very high	97.4	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131	-179.5	55.3	0	0	0	0	109.8	P266 L267 I270 V386 V388 M397	P266-V378 HydrophobicContact CB-CG2 4.08Å; L267-V378 HydrophobicContact CD2-CB 4.12Å; L267-V378 HydrophobicContact CD2-CG1 3.36Å; L267-V378 HydrophobicContact CD2-CG2 3.76Å; I270-V378 HydrophobicContact CD1-CB 4.03Å; I270-V378 HydrophobicContact CD1-CG1 4.16Å; I270-V378 HydrophobicContact CG2-CG1 4.33Å; V378-V386 HydrophobicContact CG1-CB 4.27Å; V378-V386 PolarHBondContact N-O 2.66Å; V378-V386 PolarHBondContact O-N 3.04Å; V378-V388 HydrophobicContact CG1-CG2 4.33Å; V378-M397 HydrophobicContact CG1-CE 3.82Å
379	T	98.6	Very high	97.5	Very high	71 Å²	71	50.2 Å²	50.2	44%	0.436	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.8	176.6	-52.2	0	0	0	0	109.6	P266 V384	P266-T379 VanDerWaalsContact CB-O 3.23Å; P266-T379 WeakPolarHBondContact CB-O 3.28Å; P266-T379 WeakPolarHBondContact CG-O 3.27Å; T379-V384 CarbonylContact C-O 3.55Å; T379-V384 WeakPolarHBondContact CA-O 3.33Å
380	S	98.7	Very high	97.6	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	24%	0.24	C	C	.	.			trans	-67.7	167.8	176.1	78.6	0	0	0	0	112	A382 G383 V384 A512	S380-A382 PolarHBondContact O-N 3.29Å; S380-A382 VanDerWaalsContact O-N 3.16Å; S380-A382 PolarHBondContact OG-N 3.17Å; S380-G383 PolarHBondContact O-N 2.8Å; S380-V384 PolarHBondContact N-O 3.37Å; S380-V384 PolarHBondContact OG-N 3.16Å; S380-A512 WeakPolarHBondContact CB-O 3.19Å; S380-A512 PolarHBondContact OG-O 3.48Å
381	R	98.6	Very high	97.6	Very high	71 Å²	71	38.6 Å²	38.6	27%	0.268	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.3	171.4	-178.3	-176.9	178.2	91.1	0.4	112.7	L264 G383 D401 C404 E408	L264-R381 PolarHBondContact O-NH1 3Å; R381-G383 PolarHBondContact O-N 3.38Å; R381-D401 HydrophobicContact CB-CB 4Å; R381-D401 VanDerWaalsContact CB-OD1 3.25Å; R381-D401 WeakPolarHBondContact CB-OD1 3.45Å; R381-D401 PolarHBondContact N-OD1 3.19Å; R381-C404 HydrophobicContact CB-CB 4.27Å; R381-C404 HydrophobicContact CG-CB 4.35Å; R381-E408 IonicContact CZ-OE1 2.58Å; R381-E408 IonicContact CZ-OE2 2.74Å; R381-E408 IonicContact NE-OE1 2.83Å; R381-E408 PolarHBondContact NE-OE1 2.91Å; R381-E408 IonicContact NE-OE2 3.09Å; R381-E408 PolarHBondContact NE-OE2 3.09Å; R381-E408 IonicContact NH2-OE1 3.41Å; R381-E408 IonicContact NH2-OE2 3.25Å; R381-E408 PolarHBondContact NH2-OE2 2.62Å
382	A	98.3	Very high	97.6	Very high	39 Å²	39	40.8 Å²	40.8	32%	0.322	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1.2	178	0	0	0	0	0	113.9	S380 V384 A512	S380-A382 PolarHBondContact O-N 3.29Å; S380-A382 VanDerWaalsContact O-N 3.16Å; S380-A382 PolarHBondContact OG-N 3.17Å; A382-V384 HydrophobicContact CB-CG2 4.47Å; A382-A512 WeakPolarHBondContact CB-O 3.37Å
383	G	98.3	Very high	97.5	Very high	47 Å²	47	40.8 Å²	40.8	49%	0.485	23%	0.228	S	C	.	.	S	Bend	trans	86.5	8	-179.3	0	0	0	0	0	115	S380 R381	S380-G383 PolarHBondContact O-N 2.8Å; R381-G383 PolarHBondContact O-N 3.38Å
384	V	98.4	Very high	97.5	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.139	21%	0.209	C	C	.	.			trans	-85.5	123.9	-178	-178.3	0	0	0	0	110.2	T379 S380 A382 V386 D486 L487	T379-V384 CarbonylContact C-O 3.55Å; T379-V384 WeakPolarHBondContact CA-O 3.33Å; S380-V384 PolarHBondContact N-O 3.37Å; S380-V384 PolarHBondContact OG-N 3.16Å; A382-V384 HydrophobicContact CB-CG2 4.47Å; V384-V386 HydrophobicContact CG1-CG2 4.4Å; V384-V386 PolarHBondContact O-N 3.26Å; V384-D486 HydrophobicContact CG1-CB 3.94Å; V384-L487 HydrophobicContact CG1-CB 4.13Å; V384-L487 HydrophobicContact CG1-CD2 4.46Å
385	R	98.5	Very high	97.7	Very high	85 Å²	85	36.3 Å²	36.3	32%	0.321	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	106.8	177.6	-58.4	173.3	-63	163.3	9.4	110.1	I377 E483 Y484 D486 L487	I377-R385 HydrophobicContact CG2-CB 4.04Å; R385-E483 PolarHBondContact NH1-O 3.17Å; R385-E483 PolarHBondContact NH2-O 2.77Å; R385-Y484 VanDerWaalsContact CZ-C 3.47Å; R385-Y484 VanDerWaalsContact NH1-C 3.3Å; R385-Y484 VanDerWaalsContact NH1-CA 3.27Å; R385-Y484 PolarHBondContact NH1-O 3.28Å; R385-D486 VanDerWaalsContact CB-OD2 3.23Å; R385-D486 WeakPolarHBondContact CB-OD2 3.45Å; R385-D486 WeakPolarHBondContact CG-OD2 3.5Å; R385-D486 IonicContact CZ-OD1 3.25Å; R385-D486 PolarHBondContact N-OD2 3.22Å; R385-D486 IonicContact NE-OD1 2.95Å; R385-D486 PolarHBondContact NE-OD1 3.48Å; R385-D486 IonicContact NE-OD2 2.9Å; R385-D486 PolarHBondContact NE-OD2 3.06Å; R385-D486 VanDerWaalsContact NE-OD2 3.14Å; R385-D486 IonicContact NH2-OD1 3.96Å; R385-D486 PolarHBondContact NH2-OD1 2.81Å; R385-D486 PolarHBondContact O-N 2.81Å; R385-L487 PolarHBondContact O-N 3.5Å
386	V	98.5	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119	-179	179.8	0	0	0	0	110.2	L267 I377 V378 V384 M397 L487 N489 F508 A512	L267-V386 HydrophobicContact CD1-CG2 4.38Å; L267-V386 HydrophobicContact CD2-CB 4.36Å; L267-V386 HydrophobicContact CD2-CG2 4.32Å; I377-V386 WeakPolarHBondContact CA-O 3.12Å; V378-V386 HydrophobicContact CG1-CB 4.27Å; V378-V386 PolarHBondContact N-O 2.66Å; V378-V386 PolarHBondContact O-N 3.04Å; V384-V386 HydrophobicContact CG1-CG2 4.4Å; V384-V386 PolarHBondContact O-N 3.26Å; V386-M397 HydrophobicContact CG1-CE 4.16Å; V386-M397 HydrophobicContact CG1-SD 4.08Å; V386-L487 CarbonylContact C-O 3.59Å; V386-L487 VanDerWaalsContact CA-O 3.29Å; V386-L487 WeakPolarHBondContact CA-O 3.41Å; V386-N489 HydrophobicContact CG1-CB 3.76Å; V386-F508 HydrophobicContact CG1-CE2 3.76Å; V386-F508 HydrophobicContact CG1-CZ 4.03Å; V386-F508 HydrophobicContact CG2-CE2 4.09Å; V386-F508 HydrophobicContact CG2-CZ 4.24Å; V386-A512 HydrophobicContact CG2-CB 4.38Å
387	R	97.7	Very high	97.8	Very high	36 Å²	36	29.8 Å²	29.8	14%	0.136	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	122.6	167.1	174	68.7	166.2	-153.4	-7.1	109.3	D375 I377 N389 A485 L487 L488 N489	D375-R387 VanDerWaalsContact CB-CZ 3.48Å; D375-R387 PolarHBondContact O-NH1 2.76Å; D375-R387 IonicContact OD1-CZ 3.29Å; D375-R387 VanDerWaalsContact OD1-CZ 3.29Å; D375-R387 IonicContact OD1-NE 2.74Å; D375-R387 PolarHBondContact OD1-NE 3.34Å; D375-R387 IonicContact OD1-NH2 2.67Å; D375-R387 PolarHBondContact OD1-NH2 3.32Å; D375-R387 IonicContact OD2-NH2 3.94Å; I377-R387 HydrophobicContact CG1-CB 4.45Å; R387-N389 PolarHBondContact O-N 3.43Å; R387-A485 HydrophobicContact CB-CB 3.81Å; R387-L487 PolarHBondContact N-O 3.46Å; R387-L488 HydrophobicContact CB-CD2 3.84Å; R387-L488 HydrophobicContact CG-CD2 3.75Å; R387-N489 PolarHBondContact O-N 3.36Å
388	V	97.6	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.			trans	-79.2	114.9	173.1	-177.6	0	0	0	0	108	I270 Y372 S374 D375 E376 V378 T391 M397 N489	I270-V388 HydrophobicContact CD1-CG2 4.5Å; Y372-V388 HydrophobicContact CD2-CG1 3.92Å; Y372-V388 HydrophobicContact CD2-CG2 4.22Å; Y372-V388 HydrophobicContact CE2-CG1 3.76Å; Y372-V388 HydrophobicContact CE2-CG2 4.37Å; S374-V388 CarbonylContact C-O 3.52Å; S374-V388 WeakPolarHBondContact CA-O 3.43Å; D375-V388 PolarHBondContact N-O 2.91Å; E376-V388 PolarHBondContact O-N 3.3Å; V378-V388 HydrophobicContact CG1-CG2 4.33Å; V388-T391 HydrophobicContact CG1-CG2 3.99Å; V388-M397 HydrophobicContact CG2-CE 4.22Å; V388-N489 WeakPolarHBondContact CA-OD1 3.34Å
389	N	95.9	Very high	97.9	Very high	51 Å²	51	25.6 Å²	25.6	27%	0.273	14%	0.142	S	C	.	.	S	Bend	trans	-115.7	-2	173.3	73	-19.2	0	0	0	113.2	S374 R387 N489 S490	S374-N389 VanDerWaalsContact OG-C 3.26Å; S374-N389 PolarHBondContact OG-O 3.31Å; R387-N389 PolarHBondContact O-N 3.43Å; N389-N489 PolarHBondContact N-OD1 3.47Å; N389-N489 PolarHBondContact OD1-OD1 3.3Å; N389-S490 PolarHBondContact ND2-O 3.14Å; N389-S490 WeakPolarHBondContact OD1-CA 3.34Å; N389-S490 WeakPolarHBondContact OD1-CB 3.4Å; N389-S490 PolarHBondContact OD1-N 3.04Å; N389-S490 PolarHBondContact OD1-O 2.93Å; N389-S490 PolarHBondContact OD1-OG 3.35Å
390	N	96.1	Very high	97.9	Very high	34 Å²	34	22.2 Å²	22.2	18%	0.182	12%	0.122	C	C	.	.			trans	-159.9	118.5	173.2	-170.4	-41.8	0	0	0	109.7	D319 S374 D392 A393 N489 R498	D319-N390 WeakPolarHBondContact OD2-CA 3.34Å; S374-N390 PolarHBondContact OG-N 3.38Å; N390-D392 VanDerWaalsContact C-N 3.31Å; N390-D392 VanDerWaalsContact OD1-CA 3.28Å; N390-D392 WeakPolarHBondContact OD1-CA 3.16Å; N390-D392 WeakPolarHBondContact OD1-CB 3.46Å; N390-D392 PolarHBondContact OD1-N 2.77Å; N390-A393 HydrophobicContact CB-CB 4.37Å; N390-A393 PolarHBondContact O-N 2.52Å; N390-N489 PolarHBondContact N-OD1 2.92Å; N390-N489 PolarHBondContact O-ND2 3.02Å; N390-R498 PolarHBondContact ND2-NH2 2.78Å
391	T	97.2	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.6	179.3	67.1	0	0	0	0	113.5	G316 S318 D319 N365 Y372 V388 A393	G316-T391 CarbonylContact O-C 3.57Å; G316-T391 PolarHBondContact O-OG1 3.36Å; S318-T391 PolarHBondContact N-OG1 2.86Å; D319-T391 WeakPolarHBondContact CB-OG1 3.25Å; D319-T391 PolarHBondContact N-OG1 2.74Å; D319-T391 PolarHBondContact OD2-N 2.85Å; D319-T391 PolarHBondContact OD2-OG1 2.73Å; N365-T391 PolarHBondContact ND2-O 3.25Å; N365-T391 VanDerWaalsContact ND2-O 3.08Å; Y372-T391 HydrophobicContact CD2-CG2 3.88Å; Y372-T391 HydrophobicContact CE1-CG2 4.35Å; Y372-T391 HydrophobicContact CE2-CG2 3.68Å; Y372-T391 HydrophobicContact CG-CG2 4.33Å; Y372-T391 WeakPolarHBondContact O-CG2 3.33Å; Y372-T391 WeakPolarHBondContact OH-CA 3.42Å; Y372-T391 PolarHBondContact OH-O 2.87Å; V388-T391 HydrophobicContact CG1-CG2 3.99Å; T391-A393 PolarHBondContact O-N 2.77Å
392	D	95.9	Very high	97.9	Very high	54 Å²	54	18.6 Å²	18.6	29%	0.289	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6.4	168.1	-158.9	49.3	0	0	0	112.4	G316 K321 N390	G316-D392 WeakPolarHBondContact CA-OD1 3.43Å; G316-D392 PolarHBondContact O-N 2.82Å; K321-D392 WeakPolarHBondContact CE-OD1 3.37Å; K321-D392 IonicContact NZ-OD1 2.66Å; K321-D392 PolarHBondContact NZ-OD1 2.87Å; K321-D392 IonicContact NZ-OD2 3.79Å; K321-D392 PolarHBondContact NZ-OD2 3.32Å; K321-D392 VanDerWaalsContact NZ-OD2 3.09Å; N390-D392 VanDerWaalsContact C-N 3.31Å; N390-D392 VanDerWaalsContact OD1-CA 3.28Å; N390-D392 WeakPolarHBondContact OD1-CA 3.16Å; N390-D392 WeakPolarHBondContact OD1-CB 3.46Å; N390-D392 PolarHBondContact OD1-N 2.77Å
393	A	96.7	Very high	97.9	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	9%	0.092	C	C	.	.			trans	-106.2	45	168.4	0	0	0	0	0	110.5	N390 T391 R396 M397 N489	N390-A393 HydrophobicContact CB-CB 4.37Å; N390-A393 PolarHBondContact O-N 2.52Å; T391-A393 PolarHBondContact O-N 2.77Å; A393-R396 WeakPolarHBondContact O-CG 3.23Å; A393-M397 WeakPolarHBondContact O-CG 3.39Å; A393-N489 PolarHBondContact O-ND2 2.95Å
394	E	97.7	Very high	98	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-78.2	-39.7	-174.7	81.4	-51.7	131.8	0	0	113.2	V271 K309 V311 N365 Y372 R396 M397 V398	V271-E394 HydrophobicContact CG1-CB 3.91Å; V271-E394 HydrophobicContact CG1-CG 4.37Å; V271-E394 HydrophobicContact CG2-CB 4.06Å; K309-E394 VanDerWaalsContact CE-OE1 3.24Å; K309-E394 WeakPolarHBondContact CE-OE1 3.19Å; K309-E394 IonicContact NZ-OE1 2.73Å; K309-E394 PolarHBondContact NZ-OE1 2.91Å; V311-E394 HydrophobicContact CG1-CG 4.42Å; V311-E394 HydrophobicContact CG2-CG 3.99Å; N365-E394 HydrophobicContact CB-CB 4.34Å; N365-E394 HydrophobicContact CB-CG 3.77Å; N365-E394 WeakPolarHBondContact ND2-CG 3.47Å; Y372-E394 WeakPolarHBondContact OH-CB 3.42Å; E394-R396 VanDerWaalsContact C-N 3.28Å; E394-R396 PolarHBondContact O-N 3.23Å; E394-M397 WeakPolarHBondContact O-CA 3.29Å; E394-M397 WeakPolarHBondContact O-CB 3.45Å; E394-M397 PolarHBondContact O-N 3.42Å; E394-V398 WeakPolarHBondContact O-CG2 3.33Å; E394-V398 PolarHBondContact O-N 3.44Å
395	G	98.2	Very high	98	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-61.1	-36.9	-169.1	0	0	0	0	0	113.7	K309 M399	K309-G395 VanDerWaalsContact CE-CA 3.42Å; G395-M399 WeakPolarHBondContact O-CE 3.48Å; G395-M399 WeakPolarHBondContact O-CG 3.44Å; G395-M399 PolarHBondContact O-N 3.27Å
396	R	98.3	Very high	98	Very high	14 Å²	14	10.3 Å²	10.3	5%	0.053	5%	0.052	C	C	.	.	H	α-helix	trans	-68.1	-36.8	172.9	69	-164.6	76	-173.1	1.6	111.8	A393 E394 M399 T400 L424 N489 F508 M509	A393-R396 WeakPolarHBondContact O-CG 3.23Å; E394-R396 VanDerWaalsContact C-N 3.28Å; E394-R396 PolarHBondContact O-N 3.23Å; R396-M399 PolarHBondContact O-N 3.49Å; R396-T400 WeakPolarHBondContact O-CB 3.49Å; R396-T400 PolarHBondContact O-N 2.93Å; R396-T400 PolarHBondContact O-OG1 2.77Å; R396-L424 HydrophobicContact CB-CD1 4.44Å; R396-N489 WeakPolarHBondContact CD-O 3.39Å; R396-N489 PolarHBondContact NH1-O 2.9Å; R396-F508 HydrophobicContact CB-CD1 3.86Å; R396-F508 HydrophobicContact CB-CE1 4.06Å; R396-F508 HydrophobicContact CG-CD1 3.62Å; R396-F508 HydrophobicContact CG-CE1 3.63Å; R396-M509 HydrophobicContact CB-CG 4.04Å; R396-M509 HydrophobicContact CB-SD 4.3Å
397	M	98.7	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.8	-44.4	176	-58.5	-72.5	-76	0	0	110.5	L267 I270 V271 V378 V386 V388 A393 E394 M399 T400 N489 F508	L267-M397 HydrophobicContact CB-CB 4.17Å; L267-M397 HydrophobicContact CB-CE 4.13Å; L267-M397 VanDerWaalsContact CB-O 3.23Å; L267-M397 WeakPolarHBondContact CB-O 3.19Å; L267-M397 HydrophobicContact CD1-CE 4.45Å; L267-M397 HydrophobicContact CD1-SD 4.27Å; L267-M397 HydrophobicContact CD2-CE 3.7Å; L267-M397 HydrophobicContact CG-CE 4.31Å; I270-M397 HydrophobicContact CG2-CE 4.2Å; V271-M397 HydrophobicContact CG2-CB 3.9Å; V378-M397 HydrophobicContact CG1-CE 3.82Å; V386-M397 HydrophobicContact CG1-CE 4.16Å; V386-M397 HydrophobicContact CG1-SD 4.08Å; V388-M397 HydrophobicContact CG2-CE 4.22Å; A393-M397 WeakPolarHBondContact O-CG 3.39Å; E394-M397 WeakPolarHBondContact O-CA 3.29Å; E394-M397 WeakPolarHBondContact O-CB 3.45Å; E394-M397 PolarHBondContact O-N 3.42Å; M397-M399 VanDerWaalsContact C-N 3.27Å; M397-M399 PolarHBondContact O-N 3.45Å; M397-T400 PolarHBondContact O-N 2.9Å; M397-N489 HydrophobicContact CG-CB 4.47Å; M397-N489 HydrophobicContact SD-CB 3.6Å; M397-F508 HydrophobicContact SD-CE1 4.12Å; M397-F508 HydrophobicContact SD-CZ 3.6Å; M397-F508 VanDerWaalsContact SD-CZ 3.6Å
398	V	98.8	Very high	98	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.2	-34.1	178	175.3	0	0	0	0	112.3	V271 V311 G361 V363 E394 L402	V271-V398 HydrophobicContact CB-CG2 4.15Å; V271-V398 HydrophobicContact CG1-CG2 4.01Å; V271-V398 HydrophobicContact CG2-CG2 4.1Å; V311-V398 HydrophobicContact CG2-CG2 4.35Å; G361-V398 WeakPolarHBondContact O-CG1 3.21Å; V363-V398 HydrophobicContact CG2-CB 4.33Å; V363-V398 HydrophobicContact CG2-CG1 3.99Å; V363-V398 HydrophobicContact CG2-CG2 3.33Å; E394-V398 WeakPolarHBondContact O-CG2 3.33Å; E394-V398 PolarHBondContact O-N 3.44Å; V398-L402 WeakPolarHBondContact O-CD1 3.47Å
399	M	98.8	Very high	98.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-90.5	-27	-177.5	-68.4	-173.5	-70.4	0	0	114.3	V307 K309 G395 R396 M397 D401 L402 L403 T420 A422 L424 M509	V307-M399 HydrophobicContact CG1-CB 3.93Å; V307-M399 HydrophobicContact CG1-CG 4Å; K309-M399 HydrophobicContact CB-CE 4.15Å; K309-M399 HydrophobicContact CB-CG 4.22Å; K309-M399 HydrophobicContact CB-SD 3.75Å; G395-M399 WeakPolarHBondContact O-CE 3.48Å; G395-M399 WeakPolarHBondContact O-CG 3.44Å; G395-M399 PolarHBondContact O-N 3.27Å; R396-M399 PolarHBondContact O-N 3.49Å; M397-M399 VanDerWaalsContact C-N 3.27Å; M397-M399 PolarHBondContact O-N 3.45Å; M399-D401 PolarHBondContact O-N 2.8Å; M399-L402 WeakPolarHBondContact O-CB 3.5Å; M399-L402 PolarHBondContact O-N 3.17Å; M399-L403 WeakPolarHBondContact O-CB 3.37Å; M399-L403 PolarHBondContact O-N 3.03Å; M399-T420 HydrophobicContact SD-CG2 4.25Å; M399-A422 HydrophobicContact CE-CB 3.56Å; M399-A422 HydrophobicContact SD-CB 3.87Å; M399-L424 HydrophobicContact CE-CD1 4.23Å; M399-L424 HydrophobicContact CE-CD2 4.33Å; M399-M509 HydrophobicContact CB-SD 4.1Å; M399-M509 HydrophobicContact CE-CE 4.22Å; M399-M509 HydrophobicContact CE-SD 3.79Å
400	T	98.9	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58	-48.1	-169.6	-74.4	0	0	0	0	113.6	L267 R396 M397 L402 L403 C404 F508 A512 S513	L267-T400 HydrophobicContact CD1-CG2 3.55Å; R396-T400 WeakPolarHBondContact O-CB 3.49Å; R396-T400 PolarHBondContact O-N 2.93Å; R396-T400 PolarHBondContact O-OG1 2.77Å; M397-T400 PolarHBondContact O-N 2.9Å; T400-L402 VanDerWaalsContact C-N 3.32Å; T400-L402 PolarHBondContact O-N 3.48Å; T400-L403 WeakPolarHBondContact O-CB 3.43Å; T400-L403 PolarHBondContact O-N 3.21Å; T400-C404 PolarHBondContact O-N 3.47Å; T400-F508 WeakPolarHBondContact OG1-CE1 3.38Å; T400-A512 VanDerWaalsContact CG2-C 3.47Å; T400-A512 HydrophobicContact CG2-CB 3.53Å; T400-S513 WeakPolarHBondContact O-CB 3.42Å
401	D	98.9	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-71.9	-31.3	-177.5	-63.8	-41.1	0	0	0	111.8	Y265 P266 L267 R381 M399 L403 C404 E405	Y265-D401 WeakPolarHBondContact CA-OD2 3.46Å; Y265-D401 HydrophobicContact CD1-CB 3.96Å; P266-D401 WeakPolarHBondContact CD-OD2 3.22Å; P266-D401 VanDerWaalsContact N-OD2 3.09Å; L267-D401 WeakPolarHBondContact CA-OD2 3.47Å; L267-D401 VanDerWaalsContact CB-OD2 3.26Å; L267-D401 WeakPolarHBondContact CB-OD2 3.35Å; L267-D401 WeakPolarHBondContact CG-OD2 3.29Å; L267-D401 PolarHBondContact N-OD2 3.27Å; R381-D401 HydrophobicContact CB-CB 4Å; R381-D401 VanDerWaalsContact CB-OD1 3.25Å; R381-D401 WeakPolarHBondContact CB-OD1 3.45Å; R381-D401 PolarHBondContact N-OD1 3.19Å; M399-D401 PolarHBondContact O-N 2.8Å; D401-L403 VanDerWaalsContact C-N 3.33Å; D401-C404 WeakPolarHBondContact O-CB 3.43Å; D401-C404 PolarHBondContact O-N 3.35Å; D401-E405 PolarHBondContact O-N 3.49Å
402	L	98.8	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.3	-40.6	172.6	-72.5	58	0	0	0	110.1	Y265 V307 T359 G361 V398 M399 T400 C404 E405 A406	Y265-L402 HydrophobicContact CD1-CD1 3.68Å; Y265-L402 HydrophobicContact CD1-CG 4.48Å; Y265-L402 HydrophobicContact CE1-CD1 4.15Å; Y265-L402 HydrophobicContact CE1-CG 4.49Å; Y265-L402 HydrophobicContact CG-CD1 4.23Å; V307-L402 HydrophobicContact CG1-CB 3.75Å; V307-L402 HydrophobicContact CG1-CD2 4.18Å; V307-L402 HydrophobicContact CG2-CB 4.31Å; T359-L402 HydrophobicContact CG2-CB 4.04Å; T359-L402 HydrophobicContact CG2-CD2 3.72Å; T359-L402 HydrophobicContact CG2-CG 3.69Å; G361-L402 VanDerWaalsContact CA-CD2 3.47Å; V398-L402 WeakPolarHBondContact O-CD1 3.47Å; M399-L402 WeakPolarHBondContact O-CB 3.5Å; M399-L402 PolarHBondContact O-N 3.17Å; T400-L402 VanDerWaalsContact C-N 3.32Å; T400-L402 PolarHBondContact O-N 3.48Å; L402-C404 VanDerWaalsContact C-N 3.33Å; L402-E405 PolarHBondContact O-N 3.04Å; L402-A406 WeakPolarHBondContact O-CB 3.46Å; L402-A406 PolarHBondContact O-N 3.33Å
403	L	98.9	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.2	-35.5	173.9	-176.9	60.7	0	0	0	111.8	M399 T400 D401 A406 K407 L418 T420 M509 L515 Y528	M399-L403 WeakPolarHBondContact O-CB 3.37Å; M399-L403 PolarHBondContact O-N 3.03Å; T400-L403 WeakPolarHBondContact O-CB 3.43Å; T400-L403 PolarHBondContact O-N 3.21Å; D401-L403 VanDerWaalsContact C-N 3.33Å; L403-A406 PolarHBondContact O-N 3.39Å; L403-K407 WeakPolarHBondContact O-CB 3.48Å; L403-K407 PolarHBondContact O-N 3.43Å; L403-L418 HydrophobicContact CD1-CB 4.37Å; L403-L418 HydrophobicContact CD1-CD2 3.98Å; L403-T420 HydrophobicContact CD1-CG2 4.17Å; L403-T420 HydrophobicContact CD2-CG2 4.15Å; L403-M509 HydrophobicContact CD2-CB 4.12Å; L403-L515 HydrophobicContact CD1-CD1 3.94Å; L403-L515 HydrophobicContact CD2-CD1 3.63Å; L403-L515 HydrophobicContact CG-CD1 3.7Å; L403-Y528 HydrophobicContact CD1-CD2 4.03Å; L403-Y528 HydrophobicContact CD1-CE2 3.87Å; L403-Y528 HydrophobicContact CD2-CD2 4.4Å; L403-Y528 HydrophobicContact CD2-CE1 4.26Å; L403-Y528 HydrophobicContact CD2-CE2 3.8Å
404	C	98.8	Very high	97.9	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-44.8	173.3	-174.5	0	0	0	0	111.5	R381 T400 D401 L402 A406 K407 E408 S513	R381-C404 HydrophobicContact CB-CB 4.27Å; R381-C404 HydrophobicContact CG-CB 4.35Å; T400-C404 PolarHBondContact O-N 3.47Å; D401-C404 WeakPolarHBondContact O-CB 3.43Å; D401-C404 PolarHBondContact O-N 3.35Å; L402-C404 VanDerWaalsContact C-N 3.33Å; C404-A406 PolarHBondContact O-N 3.47Å; C404-K407 WeakPolarHBondContact O-CB 3.41Å; C404-K407 PolarHBondContact O-N 3.38Å; C404-E408 WeakPolarHBondContact O-CG 3.41Å; C404-E408 PolarHBondContact O-N 2.97Å; C404-E408 PolarHBondContact SG-OE1 3.38Å; C404-E408 VanDerWaalsContact SG-OE1 3.33Å; C404-S513 PolarHBondContact SG-O 3.04Å
405	E	98.8	Very high	97.7	Very high	17 Å²	17	25.8 Å²	25.8	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-43.6	173.6	-170.9	-165.1	117.8	0	0	111.7	Y265 H285 D401 L402 K407 E408 K409	Y265-E405 WeakPolarHBondContact CE1-OE2 3.33Å; Y265-E405 PolarHBondContact OH-OE2 3.13Å; H285-E405 IonicContact CE1-OE1 3.46Å; H285-E405 PolarHBondContact CE1-OE1 2.99Å; H285-E405 IonicContact CE1-OE2 3.67Å; H285-E405 IonicContact ND1-OE1 3.7Å; D401-E405 PolarHBondContact O-N 3.49Å; L402-E405 PolarHBondContact O-N 3.04Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 3.27Å; E405-E408 WeakPolarHBondContact O-CB 3.42Å; E405-E408 PolarHBondContact O-N 2.98Å; E405-K409 PolarHBondContact O-N 3.46Å; E405-K409 WeakPolarHBondContact OE1-CE 3.25Å; E405-K409 IonicContact OE1-NZ 3.99Å; E405-K409 PolarHBondContact OE1-NZ 3.15Å
406	A	98.8	Very high	97.6	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-42.5	175.3	0	0	0	0	0	111.9	F305 V307 L402 L403 C404 K409 A410 L418	F305-A406 HydrophobicContact CB-CB 4.09Å; F305-A406 HydrophobicContact CD1-CB 4.32Å; F305-A406 HydrophobicContact CG-CB 4.5Å; V307-A406 HydrophobicContact CG2-CB 4.22Å; L402-A406 WeakPolarHBondContact O-CB 3.46Å; L402-A406 PolarHBondContact O-N 3.33Å; L403-A406 PolarHBondContact O-N 3.39Å; C404-A406 PolarHBondContact O-N 3.47Å; A406-K409 PolarHBondContact O-N 3.19Å; A406-A410 VanDerWaalsContact O-CB 3.24Å; A406-A410 WeakPolarHBondContact O-CB 3.37Å; A406-A410 PolarHBondContact O-N 3.1Å; A406-L418 HydrophobicContact CB-CD2 4Å
407	K	98.5	Very high	97.6	Very high	21 Å²	21	27.7 Å²	27.7	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-47.4	172.6	176	-156.8	72.9	-178.3	0	111.6	L403 C404 E405 K409 A410 L411 L418 S513 G514 L515 L526	L403-K407 WeakPolarHBondContact O-CB 3.48Å; L403-K407 PolarHBondContact O-N 3.43Å; C404-K407 WeakPolarHBondContact O-CB 3.41Å; C404-K407 PolarHBondContact O-N 3.38Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 3.27Å; K407-K409 VanDerWaalsContact C-N 3.29Å; K407-K409 PolarHBondContact O-N 3.15Å; K407-A410 WeakPolarHBondContact O-CB 3.33Å; K407-A410 PolarHBondContact O-N 3.3Å; K407-L411 WeakPolarHBondContact O-CG 3.33Å; K407-L411 PolarHBondContact O-N 3.08Å; K407-L418 HydrophobicContact CB-CD2 4.16Å; K407-S513 WeakPolarHBondContact CE-O 3.29Å; K407-S513 PolarHBondContact NZ-O 2.85Å; K407-G514 WeakPolarHBondContact CD-O 3.41Å; K407-G514 PolarHBondContact NZ-O 3.02Å; K407-L515 HydrophobicContact CB-CD2 4.11Å; K407-L515 HydrophobicContact CB-CG 4.42Å; K407-L515 HydrophobicContact CD-CD2 4.04Å; K407-L515 HydrophobicContact CD-CG 4.13Å; K407-L515 HydrophobicContact CG-CD2 3.76Å; K407-L515 HydrophobicContact CG-CG 4.29Å; K407-L526 HydrophobicContact CB-CD1 4.46Å; K407-L526 HydrophobicContact CG-CD1 3.6Å
408	E	98.6	Very high	97.6	Very high	60 Å²	60	27.8 Å²	27.8	28%	0.28	14%	0.138	S	C	.	.	H	α-helix	trans	-60.9	-36.5	178.7	-70.4	161	-156.8	0	0	112.8	R381 C404 E405 K412	R381-E408 IonicContact CZ-OE1 2.58Å; R381-E408 IonicContact CZ-OE2 2.74Å; R381-E408 IonicContact NE-OE1 2.83Å; R381-E408 PolarHBondContact NE-OE1 2.91Å; R381-E408 IonicContact NE-OE2 3.09Å; R381-E408 PolarHBondContact NE-OE2 3.09Å; R381-E408 IonicContact NH2-OE1 3.41Å; R381-E408 IonicContact NH2-OE2 3.25Å; R381-E408 PolarHBondContact NH2-OE2 2.62Å; C404-E408 WeakPolarHBondContact O-CG 3.41Å; C404-E408 PolarHBondContact O-N 2.97Å; C404-E408 PolarHBondContact SG-OE1 3.38Å; C404-E408 VanDerWaalsContact SG-OE1 3.33Å; E405-E408 WeakPolarHBondContact O-CB 3.42Å; E405-E408 PolarHBondContact O-N 2.98Å; E408-K412 WeakPolarHBondContact O-CE 3.47Å
409	K	98.3	Very high	97.6	Very high	62 Å²	62	27.8 Å²	27.8	27%	0.27	14%	0.138	S	C	.	.	H	α-helix	trans	-72	-43.9	173.2	-70	172.6	171.9	170.2	0	111.4	F305 E405 A406 K407 L411 K412	F305-K409 HydrophobicContact CD1-CB 4.34Å; F305-K409 HydrophobicContact CE1-CB 3.53Å; F305-K409 HydrophobicContact CE1-CD 4.48Å; F305-K409 HydrophobicContact CZ-CB 4.11Å; E405-K409 PolarHBondContact O-N 3.46Å; E405-K409 WeakPolarHBondContact OE1-CE 3.25Å; E405-K409 IonicContact OE1-NZ 3.99Å; E405-K409 PolarHBondContact OE1-NZ 3.15Å; A406-K409 PolarHBondContact O-N 3.19Å; K407-K409 VanDerWaalsContact C-N 3.29Å; K407-K409 PolarHBondContact O-N 3.15Å; K409-L411 VanDerWaalsContact C-N 3.27Å; K409-L411 PolarHBondContact O-N 2.66Å; K409-K412 WeakPolarHBondContact O-CB 3.42Å; K409-K412 PolarHBondContact O-N 3.39Å
410	A	97.9	Very high	97.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-35.2	179.6	0	0	0	0	0	113.2	F305 A406 K407 K412 V413 P416 L418 L526	F305-A410 HydrophobicContact CD2-CB 4.03Å; F305-A410 HydrophobicContact CE2-CB 3.79Å; F305-A410 HydrophobicContact CZ-CB 4.22Å; A406-A410 VanDerWaalsContact O-CB 3.24Å; A406-A410 WeakPolarHBondContact O-CB 3.37Å; A406-A410 PolarHBondContact O-N 3.1Å; K407-A410 WeakPolarHBondContact O-CB 3.33Å; K407-A410 PolarHBondContact O-N 3.3Å; A410-K412 PolarHBondContact O-N 2.89Å; A410-K412 VanDerWaalsContact O-N 3.13Å; A410-V413 WeakPolarHBondContact O-CG2 3.42Å; A410-V413 PolarHBondContact O-N 3.39Å; A410-P416 HydrophobicContact CB-CB 3.64Å; A410-P416 HydrophobicContact CB-CG 4.27Å; A410-L418 HydrophobicContact CB-CD1 3.92Å; A410-L418 HydrophobicContact CB-CD2 4.35Å; A410-L418 HydrophobicContact CB-CG 4.31Å; A410-L526 HydrophobicContact CB-CD2 4.21Å
411	L	97.4	Very high	97.6	Very high	53 Å²	53	27.8 Å²	27.8	28%	0.277	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.1	177.3	-71.5	169.7	0	0	0	114.6	K407 K409 H518 K524 L526	K407-L411 WeakPolarHBondContact O-CG 3.33Å; K407-L411 PolarHBondContact O-N 3.08Å; K409-L411 VanDerWaalsContact C-N 3.27Å; K409-L411 PolarHBondContact O-N 2.66Å; L411-H518 VanDerWaalsContact CD2-CE1 3.45Å; L411-H518 WeakPolarHBondContact CD2-CE1 3.34Å; L411-K524 HydrophobicContact CD2-CB 4.15Å; L411-K524 HydrophobicContact CD2-CD 4.2Å; L411-L526 HydrophobicContact CD2-CD1 3.85Å; L411-L526 HydrophobicContact CD2-CD2 4.31Å; L411-L526 HydrophobicContact CD2-CG 4.23Å; L411-L526 HydrophobicContact CG-CD1 4.06Å
412	K	96.4	Very high	97.6	Very high	173 Å²	173	27.8 Å²	27.8	75%	0.752	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.8	-176.9	-57.3	172.9	-174	173.1	0	112.9	E408 K409 A410	E408-K412 WeakPolarHBondContact O-CE 3.47Å; K409-K412 WeakPolarHBondContact O-CB 3.42Å; K409-K412 PolarHBondContact O-N 3.39Å; A410-K412 PolarHBondContact O-N 2.89Å; A410-K412 VanDerWaalsContact O-N 3.13Å
413	V	94.6	Very high	97.6	Very high	52 Å²	52	28.1 Å²	28.1	32%	0.315	14%	0.14	S	C	.	.	S	Bend	trans	-128.5	159.4	-176.3	-59.8	0	0	0	0	111.2	N303 F305 A410 P416	N303-V413 HydrophobicContact CB-CB 4.44Å; N303-V413 HydrophobicContact CB-CG2 3.76Å; F305-V413 HydrophobicContact CE2-CG2 3.87Å; F305-V413 HydrophobicContact CZ-CG2 3.9Å; A410-V413 WeakPolarHBondContact O-CG2 3.42Å; A410-V413 PolarHBondContact O-N 3.39Å; V413-P416 HydrophobicContact CG2-CB 4.26Å
414	S	91.5	Very high	97.5	Very high	43 Å²	43	29 Å²	29	30%	0.301	15%	0.145	S	C	.	.	S	Bend	trans	-79.4	153.7	171.4	40.9	0	0	0	0	111.3	P298 N303	P298-S414 WeakPolarHBondContact O-CB 3.43Å; P298-S414 PolarHBondContact O-OG 2.87Å; N303-S414 PolarHBondContact ND2-O 2.63Å
415	N	93.5	Very high	97.4	Very high	41 Å²	41	29.6 Å²	29.6	22%	0.219	15%	0.148	C	C	.	.	S	Bend	trans	48.6	46.1	173.5	-158.2	23.3	0	0	0	115.4	Q300 L301 N303 R417	Q300-N415 PolarHBondContact O-ND2 2.85Å; Q300-N415 VanDerWaalsContact O-ND2 3.14Å; L301-N415 WeakPolarHBondContact O-CB 3.29Å; N303-N415 PolarHBondContact N-O 2.92Å; N415-R417 PolarHBondContact OD1-NH1 3.43Å; N415-R417 PolarHBondContact OD1-NH2 2.96Å
416	P	97.1	Very high	97.1	Very high	18 Å²	18	31.5 Å²	31.5	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	144.4	179.2	30.5	-35.1	0	0	0	111.6	N303 F305 A410 V413 L526	N303-P416 CarbonylContact O-C 3.3Å; N303-P416 WeakPolarHBondContact O-CA 3.38Å; F305-P416 HydrophobicContact CD2-CB 4.32Å; F305-P416 HydrophobicContact CE2-CB 4Å; A410-P416 HydrophobicContact CB-CB 3.64Å; A410-P416 HydrophobicContact CB-CG 4.27Å; V413-P416 HydrophobicContact CG2-CB 4.26Å; P416-L526 HydrophobicContact CB-CD2 4.44Å; P416-L526 HydrophobicContact CG-CD2 3.61Å
417	R	98	Very high	96.9	Very high	36 Å²	36	33.5 Å²	33.5	14%	0.136	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	111.1	170.3	-63.6	-62.2	-176.1	-81.6	-8.6	108.5	V302 N303 L304 F305 N415 E450	V302-R417 HydrophobicContact CG1-CG 4.33Å; N303-R417 PolarHBondContact O-N 3Å; L304-R417 HydrophobicContact CD1-CB 3.89Å; F305-R417 PolarHBondContact N-O 3.46Å; N415-R417 PolarHBondContact OD1-NH1 3.43Å; N415-R417 PolarHBondContact OD1-NH2 2.96Å; R417-E450 VanDerWaalsContact CD-OE1 3.25Å; R417-E450 WeakPolarHBondContact CD-OE1 3.45Å; R417-E450 IonicContact CZ-OE1 3.6Å; R417-E450 IonicContact NE-OE1 3.02Å; R417-E450 PolarHBondContact NE-OE1 2.91Å
418	L	98.8	Very high	96.9	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.4	176.6	-63	98.9	0	0	0	110	F305 L403 A406 K407 A410 L526 A527 Y528 T529	F305-L418 HydrophobicContact CB-CG 4.26Å; F305-L418 CarbonylContact O-C 3.02Å; L403-L418 HydrophobicContact CD1-CB 4.37Å; L403-L418 HydrophobicContact CD1-CD2 3.98Å; A406-L418 HydrophobicContact CB-CD2 4Å; K407-L418 HydrophobicContact CB-CD2 4.16Å; A410-L418 HydrophobicContact CB-CD1 3.92Å; A410-L418 HydrophobicContact CB-CD2 4.35Å; A410-L418 HydrophobicContact CB-CG 4.31Å; L418-L526 HydrophobicContact CD1-CB 4Å; L418-L526 HydrophobicContact CD1-CD1 4.39Å; L418-L526 HydrophobicContact CD1-CD2 4.35Å; L418-L526 HydrophobicContact CD1-CG 4.49Å; L418-A527 WeakPolarHBondContact CD1-O 3.44Å; L418-A527 PolarHBondContact N-O 3.38Å; L418-Y528 HydrophobicContact CB-CD2 4.05Å; L418-Y528 VanDerWaalsContact O-CA 3.32Å; L418-Y528 WeakPolarHBondContact O-CA 3.34Å; L418-T529 PolarHBondContact O-N 3.07Å
419	M	98.9	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.6	176.8	-174.3	-176.1	-66.8	0	0	111.9	F305 L306 V307 I421 Y454 T529 M531 L552	F305-M419 PolarHBondContact O-N 2.84Å; L306-M419 CarbonylContact C-O 3.59Å; L306-M419 WeakPolarHBondContact CA-O 3.44Å; L306-M419 HydrophobicContact CD2-CB 3.8Å; L306-M419 HydrophobicContact CD2-CG 4.36Å; L306-M419 HydrophobicContact CD2-SD 4.03Å; V307-M419 PolarHBondContact N-O 2.89Å; M419-I421 HydrophobicContact CG-CG1 4.06Å; M419-I421 HydrophobicContact SD-CD1 3.97Å; M419-I421 HydrophobicContact SD-CG1 3.87Å; M419-Y454 HydrophobicContact CE-CD1 4.33Å; M419-Y454 HydrophobicContact CE-CD2 4.43Å; M419-Y454 HydrophobicContact CE-CE1 3.49Å; M419-Y454 VanDerWaalsContact CE-CE1 3.49Å; M419-Y454 HydrophobicContact CE-CE2 3.67Å; M419-Y454 WeakPolarHBondContact CE-OH 3.43Å; M419-T529 CarbonylContact C-O 3.58Å; M419-T529 WeakPolarHBondContact CA-O 3.26Å; M419-T529 WeakPolarHBondContact CG-O 3.42Å; M419-M531 HydrophobicContact CE-CE 3.54Å; M419-M531 HydrophobicContact CE-SD 4.2Å; M419-M531 HydrophobicContact SD-CE 3.84Å; M419-M531 HydrophobicContact SD-CG 4.24Å; M419-M531 HydrophobicContact SD-SD 3.66Å; M419-M531 VanDerWaalsContact SD-SD 3.66Å; M419-L552 HydrophobicContact CE-CD2 3.99Å; M419-L552 HydrophobicContact SD-CD2 4.01Å
420	T	98.9	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137	164.7	51.1	0	0	0	0	110	V307 M399 L403 M509 Y528 T529 H530 M531	V307-T420 HydrophobicContact CB-CG2 3.88Å; V307-T420 HydrophobicContact CG1-CG2 4.18Å; V307-T420 CarbonylContact O-C 3.06Å; V307-T420 VanDerWaalsContact O-CA 3.23Å; V307-T420 WeakPolarHBondContact O-CA 3.22Å; M399-T420 HydrophobicContact SD-CG2 4.25Å; L403-T420 HydrophobicContact CD1-CG2 4.17Å; L403-T420 HydrophobicContact CD2-CG2 4.15Å; T420-M509 HydrophobicContact CG2-SD 4.4Å; T420-Y528 HydrophobicContact CG2-CE2 3.77Å; T420-Y528 WeakPolarHBondContact OG1-CE2 3.38Å; T420-Y528 PolarHBondContact OG1-OH 3.44Å; T420-T529 PolarHBondContact N-O 3.3Å; T420-H530 PolarHBondContact O-ND1 2.83Å; T420-H530 PolarHBondContact OG1-ND1 3.3Å; T420-M531 PolarHBondContact O-N 2.95Å
421	I	98.9	Very high	96.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.1	177.6	-54.3	173.3	0	0	0	107.8	V307 G308 K309 G335 A338 V339 M419 M531 I533 P548 L552	V307-I421 PolarHBondContact O-N 3.01Å; G308-I421 WeakPolarHBondContact CA-O 3.22Å; K309-I421 PolarHBondContact N-O 3.01Å; G335-I421 VanDerWaalsContact CA-O 3.23Å; G335-I421 WeakPolarHBondContact CA-O 3.42Å; A338-I421 HydrophobicContact CB-CG2 4.29Å; V339-I421 HydrophobicContact CG2-CD1 3.98Å; M419-I421 HydrophobicContact CG-CG1 4.06Å; M419-I421 HydrophobicContact SD-CD1 3.97Å; M419-I421 HydrophobicContact SD-CG1 3.87Å; I421-M531 HydrophobicContact CG1-CB 4.46Å; I421-I533 HydrophobicContact CG2-CD1 3.96Å; I421-I533 HydrophobicContact CG2-CG1 4.28Å; I421-I533 HydrophobicContact CG2-CG2 4.14Å; I421-P548 HydrophobicContact CD1-CG 3.88Å; I421-P548 HydrophobicContact CG1-CG 4.36Å; I421-P548 HydrophobicContact CG2-CG 4.09Å; I421-L552 HydrophobicContact CD1-CD1 4.13Å
422	A	98.8	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	145.7	-173.6	0	0	0	0	0	113.7	K309 M399 L424 M531 D532 I533	K309-A422 HydrophobicContact CB-CB 3.47Å; K309-A422 VanDerWaalsContact CB-CB 3.47Å; K309-A422 HydrophobicContact CD-CB 3.99Å; K309-A422 HydrophobicContact CG-CB 4.32Å; M399-A422 HydrophobicContact CE-CB 3.56Å; M399-A422 HydrophobicContact SD-CB 3.87Å; A422-L424 HydrophobicContact CB-CB 3.84Å; A422-L424 PolarHBondContact O-N 2.87Å; A422-L424 VanDerWaalsContact O-N 3.09Å; A422-M531 PolarHBondContact N-O 2.97Å; A422-D532 CarbonylContact O-C 3.34Å; A422-D532 WeakPolarHBondContact O-CA 3.44Å; A422-I533 WeakPolarHBondContact O-CG1 2.97Å; A422-I533 PolarHBondContact O-N 3.42Å
423	T	97.8	Very high	96.4	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.043	20%	0.198	C	C	.	.			trans	-78.3	72.6	157.5	44.1	0	0	0	0	108.3	K309 D332 C334 I533 N537	K309-T423 PolarHBondContact NZ-O 2.88Å; D332-T423 VanDerWaalsContact C-OG1 3.29Å; D332-T423 VanDerWaalsContact CA-OG1 3.28Å; D332-T423 WeakPolarHBondContact CA-OG1 3.21Å; D332-T423 PolarHBondContact O-OG1 3.37Å; D332-T423 WeakPolarHBondContact OD1-CB 3.22Å; D332-T423 PolarHBondContact OD1-OG1 3.47Å; C334-T423 HydrophobicContact CB-CG2 3.66Å; T423-I533 HydrophobicContact CG2-CD1 4.3Å; T423-I533 HydrophobicContact CG2-CG1 4.02Å; T423-N537 HydrophobicContact CG2-CB 4.14Å; T423-N537 VanDerWaalsContact CG2-ND2 3.33Å; T423-N537 WeakPolarHBondContact CG2-ND2 3.24Å
424	L	97.3	Very high	96.5	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.099	22%	0.219	C	C	.	.			trans	-91	-41.9	-162.2	-167.8	54.6	0	0	0	113	K309 R396 M399 A422 P505 M509 H530 D532	K309-L424 HydrophobicContact CD-CD1 4.35Å; R396-L424 HydrophobicContact CB-CD1 4.44Å; M399-L424 HydrophobicContact CE-CD1 4.23Å; M399-L424 HydrophobicContact CE-CD2 4.33Å; A422-L424 HydrophobicContact CB-CB 3.84Å; A422-L424 PolarHBondContact O-N 2.87Å; A422-L424 VanDerWaalsContact O-N 3.09Å; L424-P505 HydrophobicContact CD2-CB 3.53Å; L424-P505 HydrophobicContact CD2-CG 4.18Å; L424-P505 HydrophobicContact CG-CB 4.27Å; L424-M509 HydrophobicContact CD2-CE 4.11Å; L424-H530 WeakPolarHBondContact CD2-NE2 3.4Å; L424-D532 PolarHBondContact N-OD1 2.84Å
425	T	95.8	Very high	96.7	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.08	22%	0.222	C	C	.	.			trans	-138.9	137.3	-167.7	78.5	0	0	0	0	114.2	H427 V428 G501 H502 P505 D532 A534	T425-H427 PolarHBondContact O-N 3.44Å; T425-V428 VanDerWaalsContact O-CG1 3.3Å; T425-V428 WeakPolarHBondContact O-CG1 3.38Å; T425-V428 PolarHBondContact O-N 3.1Å; T425-V428 PolarHBondContact OG1-N 3.49Å; T425-G501 WeakPolarHBondContact CG2-O 3.46Å; T425-H502 HydrophobicContact CG2-CB 4.34Å; T425-H502 WeakPolarHBondContact OG1-CB 3.18Å; T425-P505 HydrophobicContact CG2-CG 3.88Å; T425-D532 WeakPolarHBondContact CB-OD2 3.34Å; T425-D532 WeakPolarHBondContact CG2-OD2 3.47Å; T425-D532 PolarHBondContact N-OD1 3.43Å; T425-D532 PolarHBondContact N-OD2 2.95Å; T425-D532 PolarHBondContact OG1-OD2 2.76Å; T425-A534 VanDerWaalsContact O-CB 3.28Å; T425-A534 WeakPolarHBondContact O-CB 3.47Å
426	G	93.6	Very high	96.9	Very high	57 Å²	57	36.9 Å²	36.9	59%	0.588	22%	0.223	S	C	*	.	H	α-helix	trans	-64.1	-19.9	165	0	0	0	0	0	112.6	V428 A429 L430	G426-V428 PolarHBondContact O-N 2.82Å; G426-A429 PolarHBondContact O-N 3.21Å; G426-L430 PolarHBondContact O-N 3.24Å
427	H	95.3	Very high	97	Very high	45 Å²	45	36 Å²	36	21%	0.208	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-33.4	-179.9	-176.7	-61.8	0	0	0	112.6	T425 A429 L430 C431 R498 R500 G501 H502	T425-H427 PolarHBondContact O-N 3.44Å; H427-A429 VanDerWaalsContact C-N 3.26Å; H427-A429 PolarHBondContact O-N 3.27Å; H427-L430 PolarHBondContact O-N 3.13Å; H427-C431 VanDerWaalsContact O-CB 3.32Å; H427-C431 WeakPolarHBondContact O-CB 3.4Å; H427-C431 PolarHBondContact O-N 3.01Å; H427-R498 PolarHBondContact CD2-O 2.8Å; H427-R500 PolarHBondContact NE2-N 3.35Å; H427-G501 PolarHBondContact CD2-N 3.28Å; H427-G501 PolarHBondContact NE2-N 3.35Å; H427-G501 VanDerWaalsContact NE2-N 3.16Å; H427-H502 AromaticContact CE1-CE1 3.65Å; H427-H502 AromaticContact CE1-ND1 3.43Å; H427-H502 PolarHBondContact CE1-ND1 2.79Å; H427-H502 AromaticContact CG-ND1 3.91Å; H427-H502 AromaticContact ND1-CE1 3.51Å; H427-H502 AromaticContact ND1-ND1 2.89Å; H427-H502 PolarHBondContact ND1-ND1 2.9Å
428	V	97.1	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-38	177.8	68.8	0	0	0	0	111.1	T425 G426 C431 Y432 H502 D532 A534 S535	T425-V428 VanDerWaalsContact O-CG1 3.3Å; T425-V428 WeakPolarHBondContact O-CG1 3.38Å; T425-V428 PolarHBondContact O-N 3.1Å; T425-V428 PolarHBondContact OG1-N 3.49Å; G426-V428 PolarHBondContact O-N 2.82Å; V428-C431 PolarHBondContact O-N 2.83Å; V428-Y432 HydrophobicContact CG2-CD2 3.68Å; V428-Y432 HydrophobicContact CG2-CE2 4.15Å; V428-Y432 PolarHBondContact O-N 2.96Å; V428-H502 HydrophobicContact CB-CB 4.11Å; V428-D532 HydrophobicContact CB-CB 4.28Å; V428-D532 HydrophobicContact CG1-CB 4.14Å; V428-D532 VanDerWaalsContact CG1-CG 3.41Å; V428-D532 WeakPolarHBondContact CG1-OD1 3.47Å; V428-D532 WeakPolarHBondContact CG1-OD2 3.4Å; V428-D532 HydrophobicContact CG2-CB 4.34Å; V428-A534 HydrophobicContact CG1-CB 3.82Å; V428-S535 VanDerWaalsContact CG1-OG 3.28Å; V428-S535 WeakPolarHBondContact CG1-OG 3.32Å
429	A	95.5	Very high	97	Very high	29 Å²	29	34.2 Å²	34.2	24%	0.24	21%	0.21	C	C	.	.	H	α-helix	trans	-67.7	-37.4	174.2	0	0	0	0	0	113.2	G426 H427 C431 G433 L434	G426-A429 PolarHBondContact O-N 3.21Å; H427-A429 VanDerWaalsContact C-N 3.26Å; H427-A429 PolarHBondContact O-N 3.27Å; A429-C431 VanDerWaalsContact C-N 3.25Å; A429-C431 PolarHBondContact O-N 3.05Å; A429-G433 WeakPolarHBondContact O-CA 3.35Å; A429-G433 PolarHBondContact O-N 2.74Å; A429-L434 HydrophobicContact CB-CD2 4.46Å
430	L	95.1	Very high	97	Very high	155 Å²	155	34.2 Å²	34.2	81%	0.812	21%	0.21	S	C	*	.	H	α-helix	trans	-67.5	-28	173.3	-67.2	175.5	0	0	0	112.6	G426 H427	G426-L430 PolarHBondContact O-N 3.24Å; H427-L430 PolarHBondContact O-N 3.13Å
431	C	96	Very high	97	Very high	62 Å²	62	34.7 Å²	34.7	42%	0.419	21%	0.213	S	C	.	.	H	α-helix	trans	-83.6	-43.4	-177.2	-168.2	0	0	0	0	112.3	H427 V428 A429	H427-C431 VanDerWaalsContact O-CB 3.32Å; H427-C431 WeakPolarHBondContact O-CB 3.4Å; H427-C431 PolarHBondContact O-N 3.01Å; V428-C431 PolarHBondContact O-N 2.83Å; A429-C431 VanDerWaalsContact C-N 3.25Å; A429-C431 PolarHBondContact O-N 3.05Å
432	Y	96.8	Very high	97	Very high	55 Å²	55	34.8 Å²	34.8	22%	0.216	21%	0.214	C	C	.	.	H	α-helix	trans	-119.5	-7.1	-169.8	-57.1	-52.2	0	0	0	114.2	V428 Y436 E466 S468 H502	V428-Y432 HydrophobicContact CG2-CD2 3.68Å; V428-Y432 HydrophobicContact CG2-CE2 4.15Å; V428-Y432 PolarHBondContact O-N 2.96Å; Y432-Y436 VanDerWaalsContact O-CD2 3.23Å; Y432-Y436 WeakPolarHBondContact O-CD2 3.07Å; Y432-E466 HydrophobicContact CD1-CB 3.6Å; Y432-E466 HydrophobicContact CD1-CG 3.63Å; Y432-E466 HydrophobicContact CD2-CB 3.73Å; Y432-E466 HydrophobicContact CD2-CG 4.26Å; Y432-E466 HydrophobicContact CE1-CB 3.52Å; Y432-E466 HydrophobicContact CE1-CG 4.02Å; Y432-E466 HydrophobicContact CE2-CB 3.68Å; Y432-E466 HydrophobicContact CG-CB 3.7Å; Y432-E466 HydrophobicContact CG-CG 3.75Å; Y432-S468 PolarHBondContact OH-OG 2.96Å; Y432-H502 AromaticContact CE2-NE2 3.84Å
433	G	96	Very high	96.9	Very high	33 Å²	33	36 Å²	36	34%	0.34	23%	0.226	S	C	.	.			trans	79.5	-176.6	-172.1	0	0	0	0	0	112.8	A429 S535	A429-G433 WeakPolarHBondContact O-CA 3.35Å; A429-G433 PolarHBondContact O-N 2.74Å; G433-S535 WeakPolarHBondContact O-CB 3.22Å
434	L	95.6	Very high	96.9	Very high	145 Å²	145	36 Å²	36	76%	0.759	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	145	177.9	-60.2	177.6	0	0	0	110.7	A429 Y436	A429-L434 HydrophobicContact CB-CD2 4.46Å; L434-Y436 WeakPolarHBondContact O-CD2 3.37Å
435	G	95.7	Very high	97	Very high	35 Å²	35	35.1 Å²	35.1	36%	0.361	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-1.5	178.7	0	0	0	0	0	115.4	S535	G435-S535 PolarHBondContact N-O 2.94Å
436	Y	98.1	Very high	97	Very high	63 Å²	63	39.3 Å²	39.3	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.8	-176.3	-63.7	-90.5	0	0	0	111.7	Y432 L434 M464 E466 S535	Y432-Y436 VanDerWaalsContact O-CD2 3.23Å; Y432-Y436 WeakPolarHBondContact O-CD2 3.07Å; L434-Y436 WeakPolarHBondContact O-CD2 3.37Å; Y436-M464 WeakPolarHBondContact CA-O 3.32Å; Y436-M464 HydrophobicContact CD1-CB 3.61Å; Y436-M464 HydrophobicContact CE1-CB 3.72Å; Y436-M464 HydrophobicContact CE1-CG 4.3Å; Y436-E466 HydrophobicContact CD1-CG 3.98Å; Y436-E466 HydrophobicContact CG-CG 4.41Å; Y436-S535 VanDerWaalsContact O-CB 3.3Å; Y436-S535 WeakPolarHBondContact O-CB 3.5Å; Y436-S535 PolarHBondContact O-OG 3.46Å
437	T	98.6	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.8	172	-58.8	0	0	0	0	109.9	M464 H465 E466 M531 D532 I533 S536 T547	T437-M464 PolarHBondContact N-O 3.14Å; T437-H465 WeakPolarHBondContact CB-ND1 3.44Å; T437-H465 WeakPolarHBondContact CG2-ND1 3.44Å; T437-H465 CarbonylContact O-C 3.57Å; T437-H465 WeakPolarHBondContact O-CA 3.49Å; T437-E466 PolarHBondContact O-N 3.24Å; T437-M531 HydrophobicContact CG2-CB 3.91Å; T437-M531 HydrophobicContact CG2-CG 4.36Å; T437-D532 WeakPolarHBondContact CA-O 3.45Å; T437-I533 HydrophobicContact CG2-CG2 3.74Å; T437-S536 WeakPolarHBondContact OG1-CB 3.34Å; T437-S536 PolarHBondContact OG1-OG 3.19Å; T437-T547 WeakPolarHBondContact OG1-CG2 3.42Å
438	G	98.6	Very high	97.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.6	170.7	0	0	0	0	0	111.4	M531 D532	G438-M531 WeakPolarHBondContact O-CA 3.48Å; G438-D532 PolarHBondContact N-O 3.05Å; G438-D532 PolarHBondContact O-N 3.43Å
439	I	98.7	Very high	97.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.7	173.8	-62.4	175.3	0	0	0	109.6	D451 H465 E466 S468 T529 H530 M531	I439-D451 HydrophobicContact CG2-CB 4.07Å; I439-H465 HydrophobicContact CD1-CB 3.39Å; I439-H465 HydrophobicContact CG1-CB 3.89Å; I439-E466 PolarHBondContact N-O 3.39Å; I439-S468 PolarHBondContact O-N 2.91Å; I439-T529 HydrophobicContact CG2-CG2 3.79Å; I439-H530 WeakPolarHBondContact CA-O 3.41Å; I439-M531 HydrophobicContact CG1-CG 4.48Å
440	V	98.7	Very high	97.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	108.7	176	-170.1	0	0	0	0	109.7	L470 V506 H530	V440-L470 HydrophobicContact CG1-CD1 3.96Å; V440-L470 HydrophobicContact CG1-CD2 3.82Å; V440-L470 HydrophobicContact CG1-CG 3.46Å; V440-L470 VanDerWaalsContact CG1-CG 3.46Å; V440-V506 HydrophobicContact CB-CB 4.42Å; V440-V506 HydrophobicContact CB-CG1 4.24Å; V440-V506 HydrophobicContact CB-CG2 3.95Å; V440-V506 HydrophobicContact CG1-CB 4.01Å; V440-V506 HydrophobicContact CG1-CG1 3.9Å; V440-V506 HydrophobicContact CG1-CG2 4.04Å; V440-V506 HydrophobicContact CG2-CG2 4.11Å; V440-H530 HydrophobicContact CB-CB 4.27Å; V440-H530 PolarHBondContact N-O 2.67Å; V440-H530 PolarHBondContact O-N 3.28Å
441	C	98.6	Very high	97.3	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.9	178.4	-74.1	0	0	0	0	112.1	A445 K446 D451 T529	C441-A445 HydrophobicContact CB-CB 3.9Å; C441-K446 HydrophobicContact CB-CB 4.25Å; C441-D451 HydrophobicContact CB-CB 4.48Å; C441-T529 PolarHBondContact SG-OG1 3.46Å
442	N	98.2	Very high	97.4	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	21%	0.214	C	C	.	.			trans	-73.3	176.9	163	82	-14.2	0	0	0	111.2	P444 A445 K446 I510 L526 Y528	N442-P444 WeakPolarHBondContact OD1-CD 3.47Å; N442-A445 PolarHBondContact O-N 2.92Å; N442-A445 WeakPolarHBondContact OD1-CB 3.31Å; N442-A445 PolarHBondContact OD1-N 2.86Å; N442-K446 WeakPolarHBondContact O-CB 3.41Å; N442-K446 PolarHBondContact O-N 3.49Å; N442-I510 HydrophobicContact CB-CD1 4.01Å; N442-L526 PolarHBondContact ND2-O 3.07Å; N442-Y528 HydrophobicContact CB-CD1 4.49Å; N442-Y528 PolarHBondContact N-O 3.34Å; N442-Y528 PolarHBondContact OD1-N 3.07Å; N442-Y528 PolarHBondContact OD1-O 3.38Å
443	G	97.9	Very high	97.5	Very high	25 Å²	25	39.4 Å²	39.4	26%	0.258	21%	0.214	S	C	.	.	H	α-helix	trans	-54.1	-56.7	-177.8	0	0	0	0	0	113.9	A445 K446 E447	G443-A445 PolarHBondContact O-N 3.04Å; G443-K446 PolarHBondContact O-N 2.89Å; G443-E447 PolarHBondContact O-N 3.3Å
444	P	98	Very high	97.6	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.052	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-41.6	178.6	-27.2	35.3	0	0	0	114.5	N442 K446 E447 L448 K520 P525	N442-P444 WeakPolarHBondContact OD1-CD 3.47Å; P444-K446 VanDerWaalsContact C-N 3.33Å; P444-K446 PolarHBondContact O-N 2.87Å; P444-E447 PolarHBondContact O-N 3.02Å; P444-L448 WeakPolarHBondContact O-CG 3.43Å; P444-L448 PolarHBondContact O-N 3.02Å; P444-L448 VanDerWaalsContact O-N 3.16Å; P444-K520 HydrophobicContact CG-CG 3.91Å; P444-P525 HydrophobicContact CB-CB 4.11Å; P444-P525 HydrophobicContact CG-CB 3.74Å
445	A	98.2	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-39.6	176.9	0	0	0	0	0	112.2	C441 N442 G443 L448 G449 E450 A527 Y528	C441-A445 HydrophobicContact CB-CB 3.9Å; N442-A445 PolarHBondContact O-N 2.92Å; N442-A445 WeakPolarHBondContact OD1-CB 3.31Å; N442-A445 PolarHBondContact OD1-N 2.86Å; G443-A445 PolarHBondContact O-N 3.04Å; A445-L448 PolarHBondContact O-N 3.06Å; A445-G449 PolarHBondContact O-N 3.13Å; A445-E450 HydrophobicContact CB-CB 4.26Å; A445-E450 HydrophobicContact CB-CG 4.26Å; A445-E450 WeakPolarHBondContact O-CB 3.31Å; A445-E450 WeakPolarHBondContact O-CG 3.45Å; A445-E450 PolarHBondContact O-N 2.76Å; A445-E450 VanDerWaalsContact O-N 3.09Å; A445-A527 HydrophobicContact CB-CB 4.02Å; A445-Y528 WeakPolarHBondContact CB-O 3.46Å
446	K	97.4	Very high	97.8	Very high	101 Å²	101	34.1 Å²	34.1	44%	0.439	17%	0.167	S	C	.	.	H	α-helix	trans	-65	-38.4	175.4	-178.6	171.9	-177.8	168.9	0	112.6	C441 N442 G443 P444 L448 G449	C441-K446 HydrophobicContact CB-CB 4.25Å; N442-K446 WeakPolarHBondContact O-CB 3.41Å; N442-K446 PolarHBondContact O-N 3.49Å; G443-K446 PolarHBondContact O-N 2.89Å; P444-K446 VanDerWaalsContact C-N 3.33Å; P444-K446 PolarHBondContact O-N 2.87Å; K446-L448 VanDerWaalsContact C-N 3.26Å; K446-L448 PolarHBondContact O-N 2.88Å; K446-G449 PolarHBondContact O-N 3.47Å
447	E	96.2	Very high	97.8	Very high	143 Å²	143	31.4 Å²	31.4	67%	0.668	16%	0.157	S	C	*	.	H	α-helix	trans	-65	-32.3	177.3	-175.8	165.4	-165.5	0	0	112.3	G443 P444 G449 K520	G443-E447 PolarHBondContact O-N 3.3Å; P444-E447 PolarHBondContact O-N 3.02Å; E447-G449 PolarHBondContact O-N 2.99Å; E447-K520 HydrophobicContact CB-CD 4.48Å; E447-K520 VanDerWaalsContact OE2-CD 3.24Å; E447-K520 WeakPolarHBondContact OE2-CD 3.42Å
448	L	95.4	Very high	97.7	Very high	82 Å²	82	31.4 Å²	31.4	43%	0.429	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.8	171.7	-65.5	170.1	0	0	0	113.7	P444 A445 K446 E450 A527	P444-L448 WeakPolarHBondContact O-CG 3.43Å; P444-L448 PolarHBondContact O-N 3.02Å; P444-L448 VanDerWaalsContact O-N 3.16Å; A445-L448 PolarHBondContact O-N 3.06Å; K446-L448 VanDerWaalsContact C-N 3.26Å; K446-L448 PolarHBondContact O-N 2.88Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 HydrophobicContact CB-CG 3.96Å; L448-E450 PolarHBondContact O-N 2.58Å; L448-A527 HydrophobicContact CD1-CB 3.62Å
449	G	96.7	Very high	97.6	Very high	14 Å²	14	33 Å²	33	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	18.9	-177	0	0	0	0	0	114.5	A445 K446 E447 D451 Y452 D453	A445-G449 PolarHBondContact O-N 3.13Å; K446-G449 PolarHBondContact O-N 3.47Å; E447-G449 PolarHBondContact O-N 2.99Å; G449-D451 VanDerWaalsContact C-N 3.28Å; G449-D451 PolarHBondContact O-N 3.05Å; G449-Y452 PolarHBondContact O-N 3.49Å; G449-D453 VanDerWaalsContact O-CG 3.28Å; G449-D453 PolarHBondContact O-N 3.18Å; G449-D453 VanDerWaalsContact O-N 3.07Å
450	E	97.1	Very high	97.6	Very high	5 Å²	5	33 Å²	33	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-38.9	-173.4	-72.8	-79.3	150.8	0	0	112.6	R417 A445 L448 D453 Y454 R555	R417-E450 VanDerWaalsContact CD-OE1 3.25Å; R417-E450 WeakPolarHBondContact CD-OE1 3.45Å; R417-E450 IonicContact CZ-OE1 3.6Å; R417-E450 IonicContact NE-OE1 3.02Å; R417-E450 PolarHBondContact NE-OE1 2.91Å; A445-E450 HydrophobicContact CB-CB 4.26Å; A445-E450 HydrophobicContact CB-CG 4.26Å; A445-E450 WeakPolarHBondContact O-CB 3.31Å; A445-E450 WeakPolarHBondContact O-CG 3.45Å; A445-E450 PolarHBondContact O-N 2.76Å; A445-E450 VanDerWaalsContact O-N 3.09Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 HydrophobicContact CB-CG 3.96Å; L448-E450 PolarHBondContact O-N 2.58Å; E450-D453 PolarHBondContact O-N 3.47Å; E450-Y454 HydrophobicContact CB-CD2 4.32Å; E450-Y454 HydrophobicContact CB-CE2 3.9Å; E450-Y454 WeakPolarHBondContact O-CD2 3.46Å; E450-Y454 PolarHBondContact O-N 3.09Å; E450-Y454 WeakPolarHBondContact OE2-CE2 3.41Å; E450-Y454 PolarHBondContact OE2-OH 3.14Å; E450-R555 VanDerWaalsContact CD-NH2 3.29Å; E450-R555 PolarHBondContact O-NH1 3.44Å; E450-R555 IonicContact OE1-CZ 2.75Å; E450-R555 IonicContact OE1-NH2 3.84Å; E450-R555 PolarHBondContact OE1-NH2 3.31Å; E450-R555 IonicContact OE2-CZ 4Å; E450-R555 VanDerWaalsContact OE2-CZ 3.25Å; E450-R555 IonicContact OE2-NE 2.65Å; E450-R555 IonicContact OE2-NH1 2.91Å; E450-R555 PolarHBondContact OE2-NH1 2.98Å; E450-R555 IonicContact OE2-NH2 3.74Å; E450-R555 PolarHBondContact OE2-NH2 3.37Å
451	D	97.5	Very high	97.6	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-59.1	-51.8	179.4	46.9	0.6	0	0	0	112.5	I439 C441 G449 Y454 Q455 I467	I439-D451 HydrophobicContact CG2-CB 4.07Å; C441-D451 HydrophobicContact CB-CB 4.48Å; G449-D451 VanDerWaalsContact C-N 3.28Å; G449-D451 PolarHBondContact O-N 3.05Å; D451-Y454 PolarHBondContact O-N 3.01Å; D451-Q455 WeakPolarHBondContact O-CB 3.16Å; D451-Q455 PolarHBondContact O-N 2.79Å; D451-I467 HydrophobicContact CB-CD1 3.91Å; D451-I467 HydrophobicContact CB-CG1 4.05Å; D451-I467 HydrophobicContact CB-CG2 3.84Å
452	Y	97.9	Very high	97.5	Very high	116 Å²	116	33.7 Å²	33.7	46%	0.455	18%	0.175	S	C	.	.	H	α-helix	trans	-67.4	-35.8	177.7	-69.1	-73	0	0	0	113.1	G449 Q455 F456 I467	G449-Y452 PolarHBondContact O-N 3.49Å; Y452-Q455 PolarHBondContact O-N 3.05Å; Y452-F456 WeakPolarHBondContact O-CB 3.36Å; Y452-F456 PolarHBondContact O-N 3.45Å; Y452-I467 HydrophobicContact CD1-CD1 3.68Å; Y452-I467 HydrophobicContact CE1-CD1 3.93Å; Y452-I467 HydrophobicContact CG-CD1 4.08Å
453	D	97.6	Very high	97.5	Very high	40 Å²	40	34 Å²	34	21%	0.214	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-41.5	177.4	-71.5	-11	0	0	0	111.7	G449 E450 A457 R555 R567	G449-D453 VanDerWaalsContact O-CG 3.28Å; G449-D453 PolarHBondContact O-N 3.18Å; G449-D453 VanDerWaalsContact O-N 3.07Å; E450-D453 PolarHBondContact O-N 3.47Å; D453-A457 WeakPolarHBondContact O-CB 3.36Å; D453-A457 PolarHBondContact O-N 3.02Å; D453-R555 VanDerWaalsContact CB-CZ 3.43Å; D453-R555 IonicContact OD2-CZ 2.72Å; D453-R555 IonicContact OD2-NH1 3.85Å; D453-R555 IonicContact OD2-NH2 3.7Å; D453-R555 PolarHBondContact OD2-NH2 3.15Å; D453-R567 WeakPolarHBondContact OD1-CD 3.21Å; D453-R567 IonicContact OD1-CZ 2.74Å; D453-R567 IonicContact OD1-NE 2.75Å; D453-R567 IonicContact OD1-NH1 3.91Å; D453-R567 PolarHBondContact OD1-NH1 3.4Å
454	Y	98.2	Very high	97.5	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-40.7	174	-69.9	-55.1	0	0	0	112.1	M419 E450 D451 F456 A457 G458 H465 T529 M531 T551 L552 Y556	M419-Y454 HydrophobicContact CE-CD1 4.33Å; M419-Y454 HydrophobicContact CE-CD2 4.43Å; M419-Y454 HydrophobicContact CE-CE1 3.49Å; M419-Y454 VanDerWaalsContact CE-CE1 3.49Å; M419-Y454 HydrophobicContact CE-CE2 3.67Å; M419-Y454 WeakPolarHBondContact CE-OH 3.43Å; E450-Y454 HydrophobicContact CB-CD2 4.32Å; E450-Y454 HydrophobicContact CB-CE2 3.9Å; E450-Y454 WeakPolarHBondContact O-CD2 3.46Å; E450-Y454 PolarHBondContact O-N 3.09Å; E450-Y454 WeakPolarHBondContact OE2-CE2 3.41Å; E450-Y454 PolarHBondContact OE2-OH 3.14Å; D451-Y454 PolarHBondContact O-N 3.01Å; Y454-F456 VanDerWaalsContact C-N 3.33Å; Y454-F456 PolarHBondContact O-N 2.71Å; Y454-A457 PolarHBondContact O-N 3.36Å; Y454-G458 PolarHBondContact O-N 3.08Å; Y454-H465 PolarHBondContact O-CD2 2.82Å; Y454-T529 HydrophobicContact CD2-CG2 4.07Å; Y454-T529 HydrophobicContact CE2-CG2 3.93Å; Y454-M531 HydrophobicContact CD1-CE 3.54Å; Y454-M531 HydrophobicContact CD2-CE 3.75Å; Y454-M531 HydrophobicContact CE1-CE 3.98Å; Y454-M531 HydrophobicContact CE2-CE 4.22Å; Y454-M531 HydrophobicContact CG-CE 3.44Å; Y454-M531 VanDerWaalsContact CG-CE 3.44Å; Y454-T551 HydrophobicContact CD1-CG2 4.06Å; Y454-T551 WeakPolarHBondContact O-CG2 3.42Å; Y454-L552 HydrophobicContact CE1-CD2 4.42Å; Y454-Y556 HydrophobicContact CE1-CE2 4.15Å; Y454-Y556 PolarHBondContact OH-OH 2.86Å
455	Q	97.9	Very high	97.5	Very high	59 Å²	59	33.6 Å²	33.6	28%	0.276	17%	0.167	S	C	.	.	H	α-helix	trans	-58.2	-47.5	175.1	-179.5	175.6	65.9	0	0	111.1	D451 Y452 S459 H465 I467	D451-Q455 WeakPolarHBondContact O-CB 3.16Å; D451-Q455 PolarHBondContact O-N 2.79Å; Y452-Q455 PolarHBondContact O-N 3.05Å; Q455-S459 WeakPolarHBondContact O-CB 3.31Å; Q455-S459 PolarHBondContact O-N 3.48Å; Q455-S459 VanDerWaalsContact O-N 3.1Å; Q455-H465 HydrophobicContact CB-CB 4.43Å; Q455-H465 PolarHBondContact NE2-O 2.87Å; Q455-I467 HydrophobicContact CB-CD1 4.18Å; Q455-I467 HydrophobicContact CB-CG1 4.43Å
456	F	97.8	Very high	97.5	Very high	43 Å²	43	36.8 Å²	36.8	19%	0.189	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-53.1	175	178.1	-96.2	0	0	0	112	C148 Y452 Y454 G458 S459 L460 P565 N566 R567	C148-F456 HydrophobicContact CB-CE2 4.02Å; C148-F456 HydrophobicContact CB-CZ 4.02Å; Y452-F456 WeakPolarHBondContact O-CB 3.36Å; Y452-F456 PolarHBondContact O-N 3.45Å; Y454-F456 VanDerWaalsContact C-N 3.33Å; Y454-F456 PolarHBondContact O-N 2.71Å; F456-G458 VanDerWaalsContact C-N 3.29Å; F456-G458 PolarHBondContact O-N 3.28Å; F456-S459 PolarHBondContact O-N 3.47Å; F456-S459 VanDerWaalsContact O-N 3.15Å; F456-S459 PolarHBondContact O-OG 2.86Å; F456-L460 HydrophobicContact CD1-CD1 4.47Å; F456-L460 HydrophobicContact CE1-CD1 3.94Å; F456-L460 HydrophobicContact CE1-CD2 4.39Å; F456-L460 HydrophobicContact CE1-CG 4.34Å; F456-L460 HydrophobicContact CZ-CD1 4.45Å; F456-L460 HydrophobicContact CZ-CD2 4.12Å; F456-L460 PolarHBondContact O-N 2.89Å; F456-P565 HydrophobicContact CE1-CB 4.42Å; F456-P565 HydrophobicContact CZ-CB 3.97Å; F456-N566 VanDerWaalsContact CE1-C 3.45Å; F456-R567 HydrophobicContact CB-CB 4.18Å; F456-R567 HydrophobicContact CB-CG 4.29Å; F456-R567 HydrophobicContact CD1-CB 3.69Å; F456-R567 HydrophobicContact CD2-CB 4.26Å; F456-R567 HydrophobicContact CD2-CG 4.42Å; F456-R567 HydrophobicContact CE1-CB 4.11Å; F456-R567 HydrophobicContact CG-CB 3.76Å; F456-R567 HydrophobicContact CG-CG 4.18Å
457	A	97.9	Very high	97.6	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-38.8	-177.7	0	0	0	0	0	112.7	D453 Y454 T551 S554 R555	D453-A457 WeakPolarHBondContact O-CB 3.36Å; D453-A457 PolarHBondContact O-N 3.02Å; Y454-A457 PolarHBondContact O-N 3.36Å; A457-T551 HydrophobicContact CB-CG2 4.35Å; A457-S554 WeakPolarHBondContact O-CB 3.43Å; A457-S554 PolarHBondContact O-OG 2.79Å; A457-R555 HydrophobicContact CB-CB 4.09Å
458	G	97.9	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.2	-41.7	176.3	0	0	0	0	0	112.9	Y454 F456 L460 L461 G462 E463 T551	Y454-G458 PolarHBondContact O-N 3.08Å; F456-G458 VanDerWaalsContact C-N 3.29Å; F456-G458 PolarHBondContact O-N 3.28Å; G458-L460 PolarHBondContact O-N 3.27Å; G458-L460 VanDerWaalsContact O-N 3.15Å; G458-L461 PolarHBondContact O-N 2.9Å; G458-G462 PolarHBondContact O-N 3.26Å; G458-G462 VanDerWaalsContact O-N 3.08Å; G458-E463 CarbonylContact C-O 3.5Å; G458-E463 WeakPolarHBondContact CA-O 3.31Å; G458-E463 PolarHBondContact O-N 3.46Å; G458-T551 VanDerWaalsContact CA-OG1 3.25Å; G458-T551 WeakPolarHBondContact CA-OG1 3.39Å
459	S	97	Very high	97.8	Very high	34 Å²	34	25.3 Å²	25.3	24%	0.238	13%	0.132	C	C	.	.	H	α-helix	trans	-58	-29.1	178.8	76.8	0	0	0	0	114.1	Q455 F456 L461 G462	Q455-S459 WeakPolarHBondContact O-CB 3.31Å; Q455-S459 PolarHBondContact O-N 3.48Å; Q455-S459 VanDerWaalsContact O-N 3.1Å; F456-S459 PolarHBondContact O-N 3.47Å; F456-S459 VanDerWaalsContact O-N 3.15Å; F456-S459 PolarHBondContact O-OG 2.86Å; S459-L461 VanDerWaalsContact C-N 3.3Å; S459-L461 PolarHBondContact O-N 2.86Å; S459-G462 PolarHBondContact O-N 2.88Å
460	L	98	Very high	97.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-38.6	-179.6	-65.9	177.7	0	0	0	111.9	A110 C148 V154 F456 G458 W564 P565	A110-L460 VanDerWaalsContact CB-O 3.29Å; A110-L460 WeakPolarHBondContact CB-O 3.25Å; C148-L460 HydrophobicContact CB-CD2 3.71Å; V154-L460 HydrophobicContact CG1-CB 4.07Å; V154-L460 WeakPolarHBondContact CG1-O 3.47Å; F456-L460 HydrophobicContact CD1-CD1 4.47Å; F456-L460 HydrophobicContact CE1-CD1 3.94Å; F456-L460 HydrophobicContact CE1-CD2 4.39Å; F456-L460 HydrophobicContact CE1-CG 4.34Å; F456-L460 HydrophobicContact CZ-CD1 4.45Å; F456-L460 HydrophobicContact CZ-CD2 4.12Å; F456-L460 PolarHBondContact O-N 2.89Å; G458-L460 PolarHBondContact O-N 3.27Å; G458-L460 VanDerWaalsContact O-N 3.15Å; L460-W564 HydrophobicContact CB-CZ2 4.16Å; L460-W564 HydrophobicContact CD1-CZ2 4.05Å; L460-W564 VanDerWaalsContact CD1-NE1 3.29Å; L460-P565 HydrophobicContact CD1-CB 4.32Å; L460-P565 HydrophobicContact CD1-CG 4.49Å; L460-P565 HydrophobicContact CD2-CB 4.03Å; L460-P565 HydrophobicContact CD2-CG 4.01Å
461	L	97.9	Very high	97.8	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	16.4	-178.3	-68.9	178.9	0	0	0	113.3	V154 L157 A158 L161 G458 S459 L550 L558 W564	V154-L461 HydrophobicContact CG1-CD2 4.25Å; L157-L461 HydrophobicContact CB-CD2 4.23Å; L157-L461 HydrophobicContact CD2-CD1 4.05Å; L157-L461 HydrophobicContact CD2-CD2 4.17Å; L157-L461 HydrophobicContact CG-CD2 4.11Å; A158-L461 HydrophobicContact CB-CD2 4.33Å; L161-L461 HydrophobicContact CD1-CD1 4.24Å; L161-L461 HydrophobicContact CD1-CD2 4.28Å; G458-L461 PolarHBondContact O-N 2.9Å; S459-L461 VanDerWaalsContact C-N 3.3Å; S459-L461 PolarHBondContact O-N 2.86Å; L461-L550 HydrophobicContact CB-CB 4.08Å; L461-L550 HydrophobicContact CB-CD1 4.1Å; L461-L550 HydrophobicContact CD1-CB 4.08Å; L461-L550 HydrophobicContact CD1-CD2 4.23Å; L461-L558 HydrophobicContact CD1-CD1 3.92Å; L461-W564 HydrophobicContact CD1-CH2 3.94Å; L461-W564 HydrophobicContact CD1-CZ2 4.1Å; L461-W564 HydrophobicContact CD2-CH2 4.01Å; L461-W564 HydrophobicContact CG-CH2 3.94Å; L461-W564 HydrophobicContact CG-CZ2 4.1Å
462	G	97.2	Very high	97.7	Very high	16 Å²	16	40.3 Å²	40.3	17%	0.165	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	12	171.9	0	0	0	0	0	115.9	G458 S459 M464	G458-G462 PolarHBondContact O-N 3.26Å; G458-G462 VanDerWaalsContact O-N 3.08Å; S459-G462 PolarHBondContact O-N 2.88Å; G462-M464 PolarHBondContact O-N 3.31Å
463	E	98	Very high	97.5	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.042	18%	0.182	C	C	.	.			trans	-86.1	92.8	168.1	-72.2	-172.6	164.4	0	0	109	G458 H465 T547 P548 I549 L550 T551	G458-E463 CarbonylContact C-O 3.5Å; G458-E463 WeakPolarHBondContact CA-O 3.31Å; G458-E463 PolarHBondContact O-N 3.46Å; E463-H465 PolarHBondContact O-CD2 3.31Å; E463-H465 PolarHBondContact O-NE2 3.41Å; E463-H465 VanDerWaalsContact O-NE2 3.09Å; E463-T547 HydrophobicContact CB-CG2 4.4Å; E463-T547 HydrophobicContact CG-CG2 4.25Å; E463-T547 VanDerWaalsContact OE1-CA 3.3Å; E463-T547 WeakPolarHBondContact OE1-CA 3.3Å; E463-P548 WeakPolarHBondContact OE2-CA 3.07Å; E463-I549 PolarHBondContact OE1-N 3.28Å; E463-L550 HydrophobicContact CG-CB 4.1Å; E463-L550 HydrophobicContact CG-CD1 4.48Å; E463-L550 PolarHBondContact OE1-N 3.19Å; E463-L550 PolarHBondContact OE2-N 3.43Å; E463-T551 WeakPolarHBondContact CB-OG1 3.33Å; E463-T551 VanDerWaalsContact OE2-CB 3.3Å; E463-T551 WeakPolarHBondContact OE2-CB 3.26Å; E463-T551 PolarHBondContact OE2-N 3Å; E463-T551 PolarHBondContact OE2-OG1 2.85Å
464	M	97.9	Very high	97.4	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.094	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	138	-173.5	-59.1	-50.5	173.8	0	0	112.2	D109 R111 Y436 T437 G462	D109-M464 HydrophobicContact CB-CE 3.68Å; D109-M464 WeakPolarHBondContact OD1-CE 3.48Å; D109-M464 WeakPolarHBondContact OD2-CE 3.43Å; R111-M464 HydrophobicContact CG-CE 4.1Å; Y436-M464 WeakPolarHBondContact CA-O 3.32Å; Y436-M464 HydrophobicContact CD1-CB 3.61Å; Y436-M464 HydrophobicContact CE1-CB 3.72Å; Y436-M464 HydrophobicContact CE1-CG 4.3Å; T437-M464 PolarHBondContact N-O 3.14Å; G462-M464 PolarHBondContact O-N 3.31Å
465	H	98.3	Very high	97.3	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.1	-179.8	-54.7	-88.7	0	0	0	111.5	T437 I439 Y454 Q455 E463 T551	T437-H465 WeakPolarHBondContact CB-ND1 3.44Å; T437-H465 WeakPolarHBondContact CG2-ND1 3.44Å; T437-H465 CarbonylContact O-C 3.57Å; T437-H465 WeakPolarHBondContact O-CA 3.49Å; I439-H465 HydrophobicContact CD1-CB 3.39Å; I439-H465 HydrophobicContact CG1-CB 3.89Å; Y454-H465 PolarHBondContact O-CD2 2.82Å; Q455-H465 HydrophobicContact CB-CB 4.43Å; Q455-H465 PolarHBondContact NE2-O 2.87Å; E463-H465 PolarHBondContact O-CD2 3.31Å; E463-H465 PolarHBondContact O-NE2 3.41Å; E463-H465 VanDerWaalsContact O-NE2 3.09Å; H465-T551 PolarHBondContact CE1-OG1 3.25Å; H465-T551 WeakPolarHBondContact NE2-CG2 3.22Å; H465-T551 PolarHBondContact NE2-OG1 3.34Å
466	E	98.4	Very high	97.1	Very high	68 Å²	68	39.8 Å²	39.8	32%	0.318	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.3	172.7	-66	-59.4	157.2	0	0	110	Y432 Y436 T437 I439	Y432-E466 HydrophobicContact CD1-CB 3.6Å; Y432-E466 HydrophobicContact CD1-CG 3.63Å; Y432-E466 HydrophobicContact CD2-CB 3.73Å; Y432-E466 HydrophobicContact CD2-CG 4.26Å; Y432-E466 HydrophobicContact CE1-CB 3.52Å; Y432-E466 HydrophobicContact CE1-CG 4.02Å; Y432-E466 HydrophobicContact CE2-CB 3.68Å; Y432-E466 HydrophobicContact CG-CB 3.7Å; Y432-E466 HydrophobicContact CG-CG 3.75Å; Y436-E466 HydrophobicContact CD1-CG 3.98Å; Y436-E466 HydrophobicContact CG-CG 4.41Å; T437-E466 PolarHBondContact O-N 3.24Å; I439-E466 PolarHBondContact N-O 3.39Å
467	I	98.3	Very high	96.9	Very high	38 Å²	38	39.3 Å²	39.3	20%	0.195	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.4	-175	-59.7	170.4	0	0	0	109.5	D451 Y452 Q455	D451-I467 HydrophobicContact CB-CD1 3.91Å; D451-I467 HydrophobicContact CB-CG1 4.05Å; D451-I467 HydrophobicContact CB-CG2 3.84Å; Y452-I467 HydrophobicContact CD1-CD1 3.68Å; Y452-I467 HydrophobicContact CE1-CD1 3.93Å; Y452-I467 HydrophobicContact CG-CD1 4.08Å; Q455-I467 HydrophobicContact CB-CD1 4.18Å; Q455-I467 HydrophobicContact CB-CG1 4.43Å
468	S	98	Very high	96.7	Very high	5 Å²	5	39 Å²	39	4%	0.035	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132	174.6	-30.5	0	0	0	0	110.2	Y432 I439 H502	Y432-S468 PolarHBondContact OH-OG 2.96Å; I439-S468 PolarHBondContact O-N 2.91Å; S468-H502 WeakPolarHBondContact CB-NE2 3.29Å; S468-H502 PolarHBondContact OG-CD2 2.93Å; S468-H502 PolarHBondContact OG-NE2 3.06Å
469	T	97.7	Very high	96.6	Very high	42 Å²	42	44.7 Å²	44.7	26%	0.258	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.7	-179.4	-62	0	0	0	0	111.2	R500	T469-R500 PolarHBondContact O-NH2 3.32Å
470	L	97.8	Very high	96.4	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	21%	0.208	C	C	.	.			trans	-62.6	139.2	166.6	-77	166.8	0	0	0	111.4	V440 D474 Y475 Q503 V506 A507 I510	V440-L470 HydrophobicContact CG1-CD1 3.96Å; V440-L470 HydrophobicContact CG1-CD2 3.82Å; V440-L470 HydrophobicContact CG1-CG 3.46Å; V440-L470 VanDerWaalsContact CG1-CG 3.46Å; L470-D474 WeakPolarHBondContact CA-OD2 3.4Å; L470-D474 HydrophobicContact CD2-CB 4.19Å; L470-Y475 HydrophobicContact CB-CE2 4.37Å; L470-Q503 HydrophobicContact CD2-CB 4.34Å; L470-Q503 WeakPolarHBondContact CD2-O 3.47Å; L470-V506 HydrophobicContact CD1-CG1 4.24Å; L470-V506 HydrophobicContact CD2-CB 4.27Å; L470-A507 HydrophobicContact CD2-CB 4.19Å; L470-I510 HydrophobicContact CD1-CD1 3.62Å
471	R	96.5	Very high	96	Very high	133 Å²	133	51.1 Å²	51.1	50%	0.502	25%	0.245	S	C	.	.			trans	-129	160.8	178.4	-57.1	-63.6	-179.4	177.4	1.6	109.9	E473 D474 Y475	R471-E473 VanDerWaalsContact CB-OE2 3.29Å; R471-E473 WeakPolarHBondContact CB-OE2 3.32Å; R471-E473 PolarHBondContact O-N 3.38Å; R471-E473 VanDerWaalsContact O-N 3.16Å; R471-D474 PolarHBondContact N-OD2 2.77Å; R471-D474 VanDerWaalsContact O-CB 3.32Å; R471-D474 WeakPolarHBondContact O-CB 3.22Å; R471-D474 PolarHBondContact O-N 3.3Å; R471-Y475 VanDerWaalsContact O-CD2 3.3Å; R471-Y475 WeakPolarHBondContact O-CD2 3.39Å
472	R	95.6	Very high	95.7	Very high	182 Å²	182	53.1 Å²	53.1	69%	0.687	26%	0.255	S	S	*	.	H	α-helix	trans	-54.8	-35.4	178.2	66.9	179.4	178.4	-151.7	-5.1	111.7	D474 Y475 D476	R472-D474 PolarHBondContact O-N 3.03Å; R472-Y475 WeakPolarHBondContact O-CB 3.42Å; R472-Y475 PolarHBondContact O-N 2.83Å; R472-D476 PolarHBondContact O-N 3.02Å
473	E	94.4	Very high	95.5	Very high	83 Å²	83	61.1 Å²	61.1	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-29	179.6	-66.1	75.9	-166.2	0	0	112.1	R471 Y475 A477	R471-E473 VanDerWaalsContact CB-OE2 3.29Å; R471-E473 WeakPolarHBondContact CB-OE2 3.32Å; R471-E473 PolarHBondContact O-N 3.38Å; R471-E473 VanDerWaalsContact O-N 3.16Å; E473-Y475 VanDerWaalsContact C-N 3.34Å; E473-A477 WeakPolarHBondContact O-CB 3.34Å; E473-A477 PolarHBondContact O-N 2.79Å
474	D	95.6	Very high	95.4	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.011	31%	0.308	C	S	.	.	H	α-helix	trans	-67.7	-36.6	175.4	-60.1	-46.4	0	0	0	111.4	L470 R471 R472 H478 R500 Q503 A507	L470-D474 WeakPolarHBondContact CA-OD2 3.4Å; L470-D474 HydrophobicContact CD2-CB 4.19Å; R471-D474 PolarHBondContact N-OD2 2.77Å; R471-D474 VanDerWaalsContact O-CB 3.32Å; R471-D474 WeakPolarHBondContact O-CB 3.22Å; R471-D474 PolarHBondContact O-N 3.3Å; R472-D474 PolarHBondContact O-N 3.03Å; D474-H478 PolarHBondContact O-CD2 2.86Å; D474-H478 VanDerWaalsContact O-CD2 3.25Å; D474-R500 WeakPolarHBondContact OD1-CB 3.33Å; D474-R500 WeakPolarHBondContact OD1-CD 3.48Å; D474-R500 IonicContact OD1-CZ 3.84Å; D474-R500 IonicContact OD1-NE 2.64Å; D474-R500 PolarHBondContact OD1-NE 3.42Å; D474-R500 IonicContact OD1-NH2 2.8Å; D474-R500 PolarHBondContact OD1-NH2 2.94Å; D474-R500 IonicContact OD2-CZ 3.32Å; D474-R500 IonicContact OD2-NE 2.74Å; D474-R500 PolarHBondContact OD2-NE 2.85Å; D474-R500 IonicContact OD2-NH2 2.87Å; D474-R500 PolarHBondContact OD2-NH2 3.1Å; D474-Q503 WeakPolarHBondContact OD1-CB 3.17Å; D474-A507 HydrophobicContact CB-CB 3.79Å; D474-A507 WeakPolarHBondContact O-CB 3.47Å
475	Y	95.6	Very high	95.3	Very high	53 Å²	53	65.8 Å²	65.8	21%	0.208	31%	0.306	C	S	.	.	H	α-helix	trans	-76.6	-45.8	176	-62.3	-98.4	0	0	0	110.7	L470 R471 R472 E473 A477 H478 A507 I510 I511	L470-Y475 HydrophobicContact CB-CE2 4.37Å; R471-Y475 VanDerWaalsContact O-CD2 3.3Å; R471-Y475 WeakPolarHBondContact O-CD2 3.39Å; R472-Y475 WeakPolarHBondContact O-CB 3.42Å; R472-Y475 PolarHBondContact O-N 2.83Å; E473-Y475 VanDerWaalsContact C-N 3.34Å; Y475-A477 PolarHBondContact O-N 3.35Å; Y475-H478 PolarHBondContact O-N 3.09Å; Y475-H478 VanDerWaalsContact O-N 3.17Å; Y475-A507 HydrophobicContact CD1-CB 3.93Å; Y475-A507 HydrophobicContact CD2-CB 4.11Å; Y475-A507 HydrophobicContact CE1-CB 4.11Å; Y475-A507 HydrophobicContact CE2-CB 4.28Å; Y475-A507 HydrophobicContact CG-CB 3.93Å; Y475-I510 HydrophobicContact CE1-CB 4.45Å; Y475-I510 HydrophobicContact CE1-CG2 4.08Å; Y475-I511 HydrophobicContact CD1-CD1 3.92Å; Y475-I511 HydrophobicContact CD1-CG1 4.08Å
476	D	94.1	Very high	95.3	Very high	68 Å²	68	69 Å²	69	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-33.3	-180	-67.7	-32.3	0	0	0	112	R472 H478 K479	R472-D476 PolarHBondContact O-N 3.02Å; D476-H478 PolarHBondContact O-N 3.46Å; D476-H478 VanDerWaalsContact O-N 3.11Å; D476-K479 WeakPolarHBondContact O-CB 3.38Å; D476-K479 PolarHBondContact O-N 3.48Å; D476-K479 VanDerWaalsContact OD1-CE 3.26Å; D476-K479 WeakPolarHBondContact OD1-CE 3.43Å; D476-K479 IonicContact OD1-NZ 3.91Å; D476-K479 PolarHBondContact OD1-NZ 2.77Å
477	A	92.7	Very high	95.2	Very high	32 Å²	32	66 Å²	66	26%	0.264	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18	179.6	0	0	0	0	0	114.5	E473 Y475 A491	E473-A477 WeakPolarHBondContact O-CB 3.34Å; E473-A477 PolarHBondContact O-N 2.79Å; Y475-A477 PolarHBondContact O-N 3.35Å; A477-A491 HydrophobicContact CB-CB 3.74Å; A477-A491 WeakPolarHBondContact O-CA 3.26Å
478	H	94.9	Very high	95.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-4.6	177.5	-70.3	-76.1	0	0	0	113.8	D474 Y475 D476 L487 L488 N489 A491 S504	D474-H478 PolarHBondContact O-CD2 2.86Å; D474-H478 VanDerWaalsContact O-CD2 3.25Å; Y475-H478 PolarHBondContact O-N 3.09Å; Y475-H478 VanDerWaalsContact O-N 3.17Å; D476-H478 PolarHBondContact O-N 3.46Å; D476-H478 VanDerWaalsContact O-N 3.11Å; H478-L487 HydrophobicContact CB-CD1 3.46Å; H478-L487 VanDerWaalsContact CB-CD1 3.46Å; H478-L487 HydrophobicContact CB-CG 4.05Å; H478-L488 PolarHBondContact ND1-O 3.19Å; H478-L488 PolarHBondContact O-N 3.29Å; H478-N489 PolarHBondContact CE1-O 3.3Å; H478-A491 PolarHBondContact CE1-N 3.42Å; H478-S504 PolarHBondContact CE1-OG 3.49Å; H478-S504 PolarHBondContact NE2-O 3.21Å; H478-S504 PolarHBondContact NE2-OG 2.87Å
479	K	94	Very high	95.1	Very high	119 Å²	119	64.4 Å²	64.4	52%	0.517	30%	0.301	S	S	.	.			trans	-65.1	147.6	177.5	-70.8	178.2	174.8	168.3	0	111.2	D476	D476-K479 WeakPolarHBondContact O-CB 3.38Å; D476-K479 PolarHBondContact O-N 3.48Å; D476-K479 VanDerWaalsContact OD1-CE 3.26Å; D476-K479 WeakPolarHBondContact OD1-CE 3.43Å; D476-K479 IonicContact OD1-NZ 3.91Å; D476-K479 PolarHBondContact OD1-NZ 2.77Å
480	T	92.8	Very high	94.9	Very high	23 Å²	23	62.6 Å²	62.6	14%	0.141	29%	0.29	C	S	.	.			trans	-127.2	148.4	172.1	-174.6	0	0	0	0	109.2	E482 A485	T480-E482 VanDerWaalsContact C-N 3.28Å; T480-E482 HydrophobicContact CG2-CB 4.31Å; T480-E482 WeakPolarHBondContact OG1-CB 3.3Å; T480-E482 VanDerWaalsContact OG1-CG 3.27Å; T480-E482 WeakPolarHBondContact OG1-CG 3.47Å; T480-E482 PolarHBondContact OG1-N 2.92Å; T480-E482 PolarHBondContact OG1-OE2 3.01Å; T480-A485 HydrophobicContact CG2-CB 3.91Å; T480-A485 WeakPolarHBondContact CG2-O 3.29Å
481	D	90.7	Very high	94.5	Very high	146 Å²	146	62 Å²	62	78%	0.781	29%	0.288	S	S	*	.			trans	-92.3	3.3	175.5	-53.5	-60.3	0	0	0	111.1	R492	D481-R492 IonicContact OD2-NH2 3.41Å
482	E	91	Very high	93.5	Very high	50 Å²	50	62.4 Å²	62.4	23%	0.234	29%	0.289	C	S	.	.			trans	-76	121.6	-179.3	-66.9	168.6	-178.4	0	0	111.1	T480 Y484 A485	T480-E482 VanDerWaalsContact C-N 3.28Å; T480-E482 HydrophobicContact CG2-CB 4.31Å; T480-E482 WeakPolarHBondContact OG1-CB 3.3Å; T480-E482 VanDerWaalsContact OG1-CG 3.27Å; T480-E482 WeakPolarHBondContact OG1-CG 3.47Å; T480-E482 PolarHBondContact OG1-N 2.92Å; T480-E482 PolarHBondContact OG1-OE2 3.01Å; E482-Y484 HydrophobicContact CB-CD2 3.93Å; E482-Y484 HydrophobicContact CB-CE1 4.39Å; E482-Y484 HydrophobicContact CB-CE2 3.65Å; E482-Y484 HydrophobicContact CB-CG 4.48Å; E482-Y484 HydrophobicContact CG-CE2 3.76Å; E482-Y484 PolarHBondContact O-N 2.77Å; E482-Y484 VanDerWaalsContact OE2-CE2 3.32Å; E482-Y484 WeakPolarHBondContact OE2-CE2 2.92Å; E482-A485 HydrophobicContact CB-CB 4.29Å; E482-A485 PolarHBondContact O-N 2.8Å
483	E	94.1	Very high	92.7	Very high	183 Å²	183	58.4 Å²	58.4	86%	0.855	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.5	178.1	-62.5	-179.2	173.7	0	0	113.6	R385	R385-E483 PolarHBondContact NH1-O 3.17Å; R385-E483 PolarHBondContact NH2-O 2.77Å
484	Y	94.4	Very high	91.4	Very high	121 Å²	121	60.1 Å²	60.1	48%	0.475	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.1	-176	48.2	-106.5	0	0	0	114.6	I377 R385 E482	I377-Y484 HydrophobicContact CD1-CD2 3.32Å; I377-Y484 HydrophobicContact CD1-CE2 3.87Å; I377-Y484 HydrophobicContact CD1-CG 4.21Å; R385-Y484 VanDerWaalsContact CZ-C 3.47Å; R385-Y484 VanDerWaalsContact NH1-C 3.3Å; R385-Y484 VanDerWaalsContact NH1-CA 3.27Å; R385-Y484 PolarHBondContact NH1-O 3.28Å; E482-Y484 HydrophobicContact CB-CD2 3.93Å; E482-Y484 HydrophobicContact CB-CE1 4.39Å; E482-Y484 HydrophobicContact CB-CE2 3.65Å; E482-Y484 HydrophobicContact CB-CG 4.48Å; E482-Y484 HydrophobicContact CG-CE2 3.76Å; E482-Y484 PolarHBondContact O-N 2.77Å; E482-Y484 VanDerWaalsContact OE2-CE2 3.32Å; E482-Y484 WeakPolarHBondContact OE2-CE2 2.92Å
485	A	96.6	Very high	90.3	Very high	5 Å²	5	64 Å²	64	4%	0.041	33%	0.332	C	S	.	.			trans	-136	148.1	177.6	0	0	0	0	0	110.9	R387 T480 E482	R387-A485 HydrophobicContact CB-CB 3.81Å; T480-A485 HydrophobicContact CG2-CB 3.91Å; T480-A485 WeakPolarHBondContact CG2-O 3.29Å; E482-A485 HydrophobicContact CB-CB 4.29Å; E482-A485 PolarHBondContact O-N 2.8Å
486	D	97.3	Very high	89.2	Confident	74 Å²	74	64.3 Å²	64.3	40%	0.396	35%	0.352	S	S	.	.	S	Bend	trans	-101.8	-26.7	-178.8	-52.9	-44.3	0	0	0	111.3	V384 R385	V384-D486 HydrophobicContact CG1-CB 3.94Å; R385-D486 VanDerWaalsContact CB-OD2 3.23Å; R385-D486 WeakPolarHBondContact CB-OD2 3.45Å; R385-D486 WeakPolarHBondContact CG-OD2 3.5Å; R385-D486 IonicContact CZ-OD1 3.25Å; R385-D486 PolarHBondContact N-OD2 3.22Å; R385-D486 IonicContact NE-OD1 2.95Å; R385-D486 PolarHBondContact NE-OD1 3.48Å; R385-D486 IonicContact NE-OD2 2.9Å; R385-D486 PolarHBondContact NE-OD2 3.06Å; R385-D486 VanDerWaalsContact NE-OD2 3.14Å; R385-D486 IonicContact NH2-OD1 3.96Å; R385-D486 PolarHBondContact NH2-OD1 2.81Å; R385-D486 PolarHBondContact O-N 2.81Å
487	L	96.9	Very high	88.2	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.016	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	139.5	-170	-160.4	69.4	0	0	0	112.4	V384 R385 V386 R387 H478 F508 I511 A512	V384-L487 HydrophobicContact CG1-CB 4.13Å; V384-L487 HydrophobicContact CG1-CD2 4.46Å; R385-L487 PolarHBondContact O-N 3.5Å; V386-L487 CarbonylContact C-O 3.59Å; V386-L487 VanDerWaalsContact CA-O 3.29Å; V386-L487 WeakPolarHBondContact CA-O 3.41Å; R387-L487 PolarHBondContact N-O 3.46Å; H478-L487 HydrophobicContact CB-CD1 3.46Å; H478-L487 VanDerWaalsContact CB-CD1 3.46Å; H478-L487 HydrophobicContact CB-CG 4.05Å; L487-F508 HydrophobicContact CD2-CD2 3.34Å; L487-F508 HydrophobicContact CD2-CE2 3.55Å; L487-F508 HydrophobicContact CD2-CG 4.29Å; L487-F508 HydrophobicContact CG-CD2 3.9Å; L487-F508 HydrophobicContact CG-CE2 4.17Å; L487-I511 HydrophobicContact CD1-CB 4.4Å; L487-I511 HydrophobicContact CD1-CD1 3.75Å; L487-I511 HydrophobicContact CD1-CG2 4.16Å; L487-I511 HydrophobicContact CD2-CB 3.99Å; L487-I511 HydrophobicContact CD2-CG2 3.99Å; L487-A512 HydrophobicContact CD2-CB 3.87Å
488	L	97	Very high	87.4	Confident	11 Å²	11	71.3 Å²	71.3	6%	0.058	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.2	168.3	-58.2	178.6	0	0	0	110	R387 H478 S490 R492 F508	R387-L488 HydrophobicContact CB-CD2 3.84Å; R387-L488 HydrophobicContact CG-CD2 3.75Å; H478-L488 PolarHBondContact ND1-O 3.19Å; H478-L488 PolarHBondContact O-N 3.29Å; L488-S490 VanDerWaalsContact C-N 3.3Å; L488-S490 PolarHBondContact O-N 3.32Å; L488-R492 HydrophobicContact CD1-CG 4.23Å; L488-F508 WeakPolarHBondContact O-CD2 3.45Å
489	N	97	Very high	87	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.393	C	S	.	.	S	Bend	trans	-66.7	-31.2	179.1	78.9	-46.1	0	0	0	113.4	V386 R387 V388 N389 N390 A393 R396 M397 H478 F508	V386-N489 HydrophobicContact CG1-CB 3.76Å; R387-N489 PolarHBondContact O-N 3.36Å; V388-N489 WeakPolarHBondContact CA-OD1 3.34Å; N389-N489 PolarHBondContact N-OD1 3.47Å; N389-N489 PolarHBondContact OD1-OD1 3.3Å; N390-N489 PolarHBondContact N-OD1 2.92Å; N390-N489 PolarHBondContact O-ND2 3.02Å; A393-N489 PolarHBondContact O-ND2 2.95Å; R396-N489 WeakPolarHBondContact CD-O 3.39Å; R396-N489 PolarHBondContact NH1-O 2.9Å; M397-N489 HydrophobicContact CG-CB 4.47Å; M397-N489 HydrophobicContact SD-CB 3.6Å; H478-N489 PolarHBondContact CE1-O 3.3Å; N489-F508 HydrophobicContact CB-CE2 4.05Å; N489-F508 HydrophobicContact CB-CZ 4.21Å
490	S	94.8	Very high	87	Confident	4 Å²	4	72.3 Å²	72.3	3%	0.028	38%	0.381	C	S	.	.	S	Bend	trans	-122.7	136.1	179.2	126.2	0	0	0	0	111.4	N389 L488 R498	N389-S490 PolarHBondContact ND2-O 3.14Å; N389-S490 WeakPolarHBondContact OD1-CA 3.34Å; N389-S490 WeakPolarHBondContact OD1-CB 3.4Å; N389-S490 PolarHBondContact OD1-N 3.04Å; N389-S490 PolarHBondContact OD1-O 2.93Å; N389-S490 PolarHBondContact OD1-OG 3.35Å; L488-S490 VanDerWaalsContact C-N 3.3Å; L488-S490 PolarHBondContact O-N 3.32Å; S490-R498 VanDerWaalsContact OG-CZ 3.29Å; S490-R498 PolarHBondContact OG-NH1 2.94Å; S490-R498 PolarHBondContact OG-NH2 2.74Å
491	A	88.7	Confident	87	Confident	9 Å²	9	71.5 Å²	71.5	7%	0.074	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60	142.8	177.6	0	0	0	0	0	111.9	A477 H478 R498 S504	A477-A491 HydrophobicContact CB-CB 3.74Å; A477-A491 WeakPolarHBondContact O-CA 3.26Å; H478-A491 PolarHBondContact CE1-N 3.42Å; A491-R498 PolarHBondContact O-NH1 3.11Å; A491-R498 VanDerWaalsContact O-NH1 3.07Å; A491-S504 VanDerWaalsContact CB-OG 3.27Å; A491-S504 WeakPolarHBondContact CB-OG 3.33Å
492	R	76.3	Confident	87.3	Confident	142 Å²	142	64.6 Å²	64.6	54%	0.536	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-58.1	140	174.4	-62.5	-174.1	-173.3	-170.7	6	110.4	D481 L488	D481-R492 IonicContact OD2-NH2 3.41Å; L488-R492 HydrophobicContact CD1-CG 4.23Å
493	L	77.7	Confident	87.6	Confident	99 Å²	99	62.8 Å²	62.8	52%	0.518	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-71.7	135.9	175.9	-59.3	177.5	0	0	0	110.1	R498	L493-R498 HydrophobicContact CD2-CB 4.43Å; L493-R498 HydrophobicContact CD2-CG 3.36Å
494	I	67.9	Low	87.7	Confident	119 Å²	119	54.3 Å²	54.3	61%	0.61	29%	0.293	S	S	*	.	B	Isolated β-bridge	trans	-103.7	113.9	171	-57.5	178.4	0	0	0	107.3	G496 K497	I494-G496 PolarHBondContact O-N 2.96Å; I494-K497 PolarHBondContact N-O 3.45Å; I494-K497 PolarHBondContact O-N 3.22Å; I494-K497 VanDerWaalsContact O-O 3.11Å
495	G	72.4	Confident	87.8	Confident	84 Å²	84	48.5 Å²	48.5	87%	0.866	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	33.5	-176.5	0	0	0	0	0	113.5	K497	G495-K497 PolarHBondContact O-N 3.11Å
496	G	71.8	Confident	87.9	Confident	59 Å²	59	48.3 Å²	48.3	61%	0.608	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	0.3	-177.3	0	0	0	0	0	115.1	I494	I494-G496 PolarHBondContact O-N 2.96Å
497	K	73.1	Confident	88	Confident	164 Å²	164	44.8 Å²	44.8	71%	0.713	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-116.9	150.1	179.1	-64	-175.4	-178.8	-179.2	0	111.3	I494 G495 S499	I494-K497 PolarHBondContact N-O 3.45Å; I494-K497 PolarHBondContact O-N 3.22Å; I494-K497 VanDerWaalsContact O-O 3.11Å; G495-K497 PolarHBondContact O-N 3.11Å; K497-S499 PolarHBondContact O-N 2.9Å
498	R	76.9	Confident	88	Confident	82 Å²	82	44.6 Å²	44.6	31%	0.309	25%	0.249	S	C	.	.			trans	-83	105.8	170.9	-67.2	-177.4	-176	-84.1	7.9	108.9	N390 H427 S490 A491 L493	N390-R498 PolarHBondContact ND2-NH2 2.78Å; H427-R498 PolarHBondContact CD2-O 2.8Å; S490-R498 VanDerWaalsContact OG-CZ 3.29Å; S490-R498 PolarHBondContact OG-NH1 2.94Å; S490-R498 PolarHBondContact OG-NH2 2.74Å; A491-R498 PolarHBondContact O-NH1 3.11Å; A491-R498 VanDerWaalsContact O-NH1 3.07Å; L493-R498 HydrophobicContact CD2-CB 4.43Å; L493-R498 HydrophobicContact CD2-CG 3.36Å
499	S	85.6	Confident	88.1	Confident	67 Å²	67	44.1 Å²	44.1	47%	0.469	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	145.7	166.2	-61.9	0	0	0	0	109.7	K497 G501	K497-S499 PolarHBondContact O-N 2.9Å; S499-G501 PolarHBondContact O-N 3.07Å
500	R	93.4	Very high	88.2	Confident	74 Å²	74	44.1 Å²	44.1	28%	0.279	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	40.2	177.4	-54.5	-174.5	57.5	70.7	9.2	113.3	H427 T469 D474 H502 Q503 S504	H427-R500 PolarHBondContact NE2-N 3.35Å; T469-R500 PolarHBondContact O-NH2 3.32Å; D474-R500 WeakPolarHBondContact OD1-CB 3.33Å; D474-R500 WeakPolarHBondContact OD1-CD 3.48Å; D474-R500 IonicContact OD1-CZ 3.84Å; D474-R500 IonicContact OD1-NE 2.64Å; D474-R500 PolarHBondContact OD1-NE 3.42Å; D474-R500 IonicContact OD1-NH2 2.8Å; D474-R500 PolarHBondContact OD1-NH2 2.94Å; D474-R500 IonicContact OD2-CZ 3.32Å; D474-R500 IonicContact OD2-NE 2.74Å; D474-R500 PolarHBondContact OD2-NE 2.85Å; D474-R500 IonicContact OD2-NH2 2.87Å; D474-R500 PolarHBondContact OD2-NH2 3.1Å; R500-H502 VanDerWaalsContact C-N 3.31Å; R500-H502 PolarHBondContact O-N 3.35Å; R500-Q503 PolarHBondContact O-N 2.89Å; R500-Q503 PolarHBondContact O-OE1 2.8Å; R500-Q503 VanDerWaalsContact O-OE1 3.12Å; R500-S504 PolarHBondContact O-N 3.01Å
501	G	93.5	Very high	88.4	Confident	6 Å²	6	45.5 Å²	45.5	6%	0.062	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.6	-164.6	0	0	0	0	0	115.5	T425 H427 S499 P505	T425-G501 WeakPolarHBondContact CG2-O 3.46Å; H427-G501 PolarHBondContact CD2-N 3.28Å; H427-G501 PolarHBondContact NE2-N 3.35Å; H427-G501 VanDerWaalsContact NE2-N 3.16Å; S499-G501 PolarHBondContact O-N 3.07Å; G501-P505 WeakPolarHBondContact O-CD 3.34Å; G501-P505 WeakPolarHBondContact O-CG 3.24Å
502	H	96.1	Very high	88.8	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-18.9	175.9	60.3	-82.9	0	0	0	113.5	T425 H427 V428 Y432 S468 R500 V506	T425-H502 HydrophobicContact CG2-CB 4.34Å; T425-H502 WeakPolarHBondContact OG1-CB 3.18Å; H427-H502 AromaticContact CE1-CE1 3.65Å; H427-H502 AromaticContact CE1-ND1 3.43Å; H427-H502 PolarHBondContact CE1-ND1 2.79Å; H427-H502 AromaticContact CG-ND1 3.91Å; H427-H502 AromaticContact ND1-CE1 3.51Å; H427-H502 AromaticContact ND1-ND1 2.89Å; H427-H502 PolarHBondContact ND1-ND1 2.9Å; V428-H502 HydrophobicContact CB-CB 4.11Å; Y432-H502 AromaticContact CE2-NE2 3.84Å; S468-H502 WeakPolarHBondContact CB-NE2 3.29Å; S468-H502 PolarHBondContact OG-CD2 2.93Å; S468-H502 PolarHBondContact OG-NE2 3.06Å; R500-H502 VanDerWaalsContact C-N 3.31Å; R500-H502 PolarHBondContact O-N 3.35Å; H502-V506 WeakPolarHBondContact O-CG2 3.42Å
503	Q	97.7	Very high	89.9	Confident	13 Å²	13	38.3 Å²	38.3	6%	0.061	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-42.3	175.2	-57.4	94.1	-27.5	0	0	111.9	L470 D474 R500 V506 A507	L470-Q503 HydrophobicContact CD2-CB 4.34Å; L470-Q503 WeakPolarHBondContact CD2-O 3.47Å; D474-Q503 WeakPolarHBondContact OD1-CB 3.17Å; R500-Q503 PolarHBondContact O-N 2.89Å; R500-Q503 PolarHBondContact O-OE1 2.8Å; R500-Q503 VanDerWaalsContact O-OE1 3.12Å; Q503-V506 WeakPolarHBondContact O-CB 3.49Å; Q503-V506 PolarHBondContact O-N 3.39Å; Q503-A507 PolarHBondContact O-N 2.94Å
504	S	96.2	Very high	90.9	Very high	4 Å²	4	34 Å²	34	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-52.3	-49.1	179.2	142.2	0	0	0	0	114	H478 A491 R500 V506 A507 F508	H478-S504 PolarHBondContact CE1-OG 3.49Å; H478-S504 PolarHBondContact NE2-O 3.21Å; H478-S504 PolarHBondContact NE2-OG 2.87Å; A491-S504 VanDerWaalsContact CB-OG 3.27Å; A491-S504 WeakPolarHBondContact CB-OG 3.33Å; R500-S504 PolarHBondContact O-N 3.01Å; S504-V506 PolarHBondContact O-N 3.1Å; S504-V506 VanDerWaalsContact O-N 3.12Å; S504-A507 WeakPolarHBondContact O-CB 3.34Å; S504-A507 PolarHBondContact O-N 3.2Å; S504-F508 PolarHBondContact O-N 2.9Å
505	P	97.6	Very high	92.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-29.3	178.6	-20.5	30	0	0	0	113.5	L424 T425 G501 F508 M509	L424-P505 HydrophobicContact CD2-CB 3.53Å; L424-P505 HydrophobicContact CD2-CG 4.18Å; L424-P505 HydrophobicContact CG-CB 4.27Å; T425-P505 HydrophobicContact CG2-CG 3.88Å; G501-P505 WeakPolarHBondContact O-CD 3.34Å; G501-P505 WeakPolarHBondContact O-CG 3.24Å; P505-F508 WeakPolarHBondContact O-CB 3.41Å; P505-M509 WeakPolarHBondContact O-CG 3.31Å; P505-M509 PolarHBondContact O-N 2.95Å
506	V	98.4	Very high	93.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-72.6	-42.4	177.8	-173.3	0	0	0	0	110.2	V440 L470 H502 Q503 S504 F508 M509 I510 Y528 H530	V440-V506 HydrophobicContact CB-CB 4.42Å; V440-V506 HydrophobicContact CB-CG1 4.24Å; V440-V506 HydrophobicContact CB-CG2 3.95Å; V440-V506 HydrophobicContact CG1-CB 4.01Å; V440-V506 HydrophobicContact CG1-CG1 3.9Å; V440-V506 HydrophobicContact CG1-CG2 4.04Å; V440-V506 HydrophobicContact CG2-CG2 4.11Å; L470-V506 HydrophobicContact CD1-CG1 4.24Å; L470-V506 HydrophobicContact CD2-CB 4.27Å; H502-V506 WeakPolarHBondContact O-CG2 3.42Å; Q503-V506 WeakPolarHBondContact O-CB 3.49Å; Q503-V506 PolarHBondContact O-N 3.39Å; S504-V506 PolarHBondContact O-N 3.1Å; S504-V506 VanDerWaalsContact O-N 3.12Å; V506-F508 VanDerWaalsContact C-N 3.34Å; V506-M509 HydrophobicContact CG2-CE 4.39Å; V506-M509 PolarHBondContact O-N 3.02Å; V506-I510 HydrophobicContact CG1-CD1 4.17Å; V506-I510 VanDerWaalsContact O-CG1 3.27Å; V506-I510 WeakPolarHBondContact O-CG1 3.46Å; V506-I510 PolarHBondContact O-N 2.85Å; V506-Y528 HydrophobicContact CG1-CE1 3.68Å; V506-H530 HydrophobicContact CB-CB 4.39Å; V506-H530 HydrophobicContact CG1-CB 3.86Å; V506-H530 HydrophobicContact CG2-CB 3.57Å; V506-H530 WeakPolarHBondContact CG2-CD2 3.32Å; V506-H530 VanDerWaalsContact CG2-CG 3.5Å
507	A	98	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-42.5	171.9	0	0	0	0	0	111.8	L470 D474 Y475 Q503 S504 M509 I510 I511	L470-A507 HydrophobicContact CD2-CB 4.19Å; D474-A507 HydrophobicContact CB-CB 3.79Å; D474-A507 WeakPolarHBondContact O-CB 3.47Å; Y475-A507 HydrophobicContact CD1-CB 3.93Å; Y475-A507 HydrophobicContact CD2-CB 4.11Å; Y475-A507 HydrophobicContact CE1-CB 4.11Å; Y475-A507 HydrophobicContact CE2-CB 4.28Å; Y475-A507 HydrophobicContact CG-CB 3.93Å; Q503-A507 PolarHBondContact O-N 2.94Å; S504-A507 WeakPolarHBondContact O-CB 3.34Å; S504-A507 PolarHBondContact O-N 3.2Å; A507-M509 PolarHBondContact O-N 3.16Å; A507-I510 PolarHBondContact O-N 3.25Å; A507-I511 WeakPolarHBondContact O-CG1 3.33Å; A507-I511 PolarHBondContact O-N 3.46Å; A507-I511 VanDerWaalsContact O-N 3.15Å
508	F	98.3	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.4	-51.8	172	167.4	-94.1	0	0	0	111.9	L267 V386 R396 M397 T400 L487 L488 N489 S504 P505 V506 I510 I511 A512	L267-F508 HydrophobicContact CD1-CZ 4.46Å; V386-F508 HydrophobicContact CG1-CE2 3.76Å; V386-F508 HydrophobicContact CG1-CZ 4.03Å; V386-F508 HydrophobicContact CG2-CE2 4.09Å; V386-F508 HydrophobicContact CG2-CZ 4.24Å; R396-F508 HydrophobicContact CB-CD1 3.86Å; R396-F508 HydrophobicContact CB-CE1 4.06Å; R396-F508 HydrophobicContact CG-CD1 3.62Å; R396-F508 HydrophobicContact CG-CE1 3.63Å; M397-F508 HydrophobicContact SD-CE1 4.12Å; M397-F508 HydrophobicContact SD-CZ 3.6Å; M397-F508 VanDerWaalsContact SD-CZ 3.6Å; T400-F508 WeakPolarHBondContact OG1-CE1 3.38Å; L487-F508 HydrophobicContact CD2-CD2 3.34Å; L487-F508 HydrophobicContact CD2-CE2 3.55Å; L487-F508 HydrophobicContact CD2-CG 4.29Å; L487-F508 HydrophobicContact CG-CD2 3.9Å; L487-F508 HydrophobicContact CG-CE2 4.17Å; L488-F508 WeakPolarHBondContact O-CD2 3.45Å; N489-F508 HydrophobicContact CB-CE2 4.05Å; N489-F508 HydrophobicContact CB-CZ 4.21Å; S504-F508 PolarHBondContact O-N 2.9Å; P505-F508 WeakPolarHBondContact O-CB 3.41Å; V506-F508 VanDerWaalsContact C-N 3.34Å; F508-I510 VanDerWaalsContact C-N 3.32Å; F508-I510 PolarHBondContact O-N 3.08Å; F508-I511 PolarHBondContact O-N 3.47Å; F508-A512 HydrophobicContact CD2-CB 4.5Å; F508-A512 HydrophobicContact CE1-CB 4.17Å; F508-A512 HydrophobicContact CE2-CB 4.04Å; F508-A512 HydrophobicContact CZ-CB 3.87Å; F508-A512 VanDerWaalsContact O-CB 3.25Å; F508-A512 WeakPolarHBondContact O-CB 2.89Å; F508-A512 PolarHBondContact O-N 3.05Å
509	M	98.8	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-39.8	-179.5	-73.7	-174.5	-72.1	0	0	111.8	R396 M399 L403 T420 L424 P505 V506 A507 I511 S513 Y528	R396-M509 HydrophobicContact CB-CG 4.04Å; R396-M509 HydrophobicContact CB-SD 4.3Å; M399-M509 HydrophobicContact CB-SD 4.1Å; M399-M509 HydrophobicContact CE-CE 4.22Å; M399-M509 HydrophobicContact CE-SD 3.79Å; L403-M509 HydrophobicContact CD2-CB 4.12Å; T420-M509 HydrophobicContact CG2-SD 4.4Å; L424-M509 HydrophobicContact CD2-CE 4.11Å; P505-M509 WeakPolarHBondContact O-CG 3.31Å; P505-M509 PolarHBondContact O-N 2.95Å; V506-M509 HydrophobicContact CG2-CE 4.39Å; V506-M509 PolarHBondContact O-N 3.02Å; A507-M509 PolarHBondContact O-N 3.16Å; M509-I511 VanDerWaalsContact C-N 3.34Å; M509-I511 PolarHBondContact O-N 2.86Å; M509-S513 VanDerWaalsContact O-CB 3.22Å; M509-S513 WeakPolarHBondContact O-CB 3.09Å; M509-S513 PolarHBondContact O-N 2.92Å; M509-S513 PolarHBondContact O-OG 2.54Å; M509-Y528 WeakPolarHBondContact CE-OH 3.32Å
510	I	98.7	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.6	-46.6	177.4	-73.1	166.3	0	0	0	111.1	N442 L470 Y475 V506 A507 F508 L515 D516 L519 Y528	N442-I510 HydrophobicContact CB-CD1 4.01Å; L470-I510 HydrophobicContact CD1-CD1 3.62Å; Y475-I510 HydrophobicContact CE1-CB 4.45Å; Y475-I510 HydrophobicContact CE1-CG2 4.08Å; V506-I510 HydrophobicContact CG1-CD1 4.17Å; V506-I510 VanDerWaalsContact O-CG1 3.27Å; V506-I510 WeakPolarHBondContact O-CG1 3.46Å; V506-I510 PolarHBondContact O-N 2.85Å; A507-I510 PolarHBondContact O-N 3.25Å; F508-I510 VanDerWaalsContact C-N 3.32Å; F508-I510 PolarHBondContact O-N 3.08Å; I510-L515 HydrophobicContact CG2-CB 4.25Å; I510-L515 WeakPolarHBondContact O-CA 3.31Å; I510-L515 WeakPolarHBondContact O-CB 3.12Å; I510-L515 PolarHBondContact O-N 3.02Å; I510-D516 HydrophobicContact CG2-CB 4.02Å; I510-D516 PolarHBondContact O-N 3.16Å; I510-D516 VanDerWaalsContact O-N 3.11Å; I510-L519 HydrophobicContact CG2-CD2 4.47Å; I510-Y528 HydrophobicContact CD1-CD1 4.08Å; I510-Y528 HydrophobicContact CD1-CE1 4.23Å; I510-Y528 HydrophobicContact CG1-CD1 3.67Å; I510-Y528 HydrophobicContact CG1-CE1 3.72Å
511	I	98.4	Very high	97.1	Very high	33 Å²	33	26 Å²	26	17%	0.169	14%	0.14	C	C	.	.	H	α-helix	trans	-71.9	-53.6	178.9	-59.5	164.6	0	0	0	110.2	Y475 L487 A507 F508 M509 S513 G514	Y475-I511 HydrophobicContact CD1-CD1 3.92Å; Y475-I511 HydrophobicContact CD1-CG1 4.08Å; L487-I511 HydrophobicContact CD1-CB 4.4Å; L487-I511 HydrophobicContact CD1-CD1 3.75Å; L487-I511 HydrophobicContact CD1-CG2 4.16Å; L487-I511 HydrophobicContact CD2-CB 3.99Å; L487-I511 HydrophobicContact CD2-CG2 3.99Å; A507-I511 WeakPolarHBondContact O-CG1 3.33Å; A507-I511 PolarHBondContact O-N 3.46Å; A507-I511 VanDerWaalsContact O-N 3.15Å; F508-I511 PolarHBondContact O-N 3.47Å; M509-I511 VanDerWaalsContact C-N 3.34Å; M509-I511 PolarHBondContact O-N 2.86Å; I511-S513 PolarHBondContact O-N 3.28Å; I511-G514 WeakPolarHBondContact O-CA 3.29Å; I511-G514 PolarHBondContact O-N 3.21Å
512	A	98.6	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-24.8	-170.7	0	0	0	0	0	113.5	S380 A382 V386 T400 L487 F508	S380-A512 WeakPolarHBondContact CB-O 3.19Å; S380-A512 PolarHBondContact OG-O 3.48Å; A382-A512 WeakPolarHBondContact CB-O 3.37Å; V386-A512 HydrophobicContact CG2-CB 4.38Å; T400-A512 VanDerWaalsContact CG2-C 3.47Å; T400-A512 HydrophobicContact CG2-CB 3.53Å; L487-A512 HydrophobicContact CD2-CB 3.87Å; F508-A512 HydrophobicContact CD2-CB 4.5Å; F508-A512 HydrophobicContact CE1-CB 4.17Å; F508-A512 HydrophobicContact CE2-CB 4.04Å; F508-A512 HydrophobicContact CZ-CB 3.87Å; F508-A512 VanDerWaalsContact O-CB 3.25Å; F508-A512 WeakPolarHBondContact O-CB 2.89Å; F508-A512 PolarHBondContact O-N 3.05Å
513	S	98.7	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-1.8	173	81.8	0	0	0	0	113.2	T400 C404 K407 M509 I511 L515	T400-S513 WeakPolarHBondContact O-CB 3.42Å; C404-S513 PolarHBondContact SG-O 3.04Å; K407-S513 WeakPolarHBondContact CE-O 3.29Å; K407-S513 PolarHBondContact NZ-O 2.85Å; M509-S513 VanDerWaalsContact O-CB 3.22Å; M509-S513 WeakPolarHBondContact O-CB 3.09Å; M509-S513 PolarHBondContact O-N 2.92Å; M509-S513 PolarHBondContact O-OG 2.54Å; I511-S513 PolarHBondContact O-N 3.28Å; S513-L515 VanDerWaalsContact C-N 3.32Å; S513-L515 PolarHBondContact O-N 3.08Å; S513-L515 WeakPolarHBondContact OG-CD1 3.48Å; S513-L515 WeakPolarHBondContact OG-CG 3.35Å
514	G	98.2	Very high	96.8	Very high	8 Å²	8	42 Å²	42	8%	0.082	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	28.5	-174.7	0	0	0	0	0	114.2	K407 I511 D516	K407-G514 WeakPolarHBondContact CD-O 3.41Å; K407-G514 PolarHBondContact NZ-O 3.02Å; I511-G514 WeakPolarHBondContact O-CA 3.29Å; I511-G514 PolarHBondContact O-N 3.21Å; G514-D516 VanDerWaalsContact C-N 3.34Å; G514-D516 WeakPolarHBondContact CA-OD1 3.46Å
515	L	98.2	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.			trans	-79	-19.1	172.8	-89.7	170.8	0	0	0	112.3	L403 K407 I510 S513 S517 H518 L526 Y528	L403-L515 HydrophobicContact CD1-CD1 3.94Å; L403-L515 HydrophobicContact CD2-CD1 3.63Å; L403-L515 HydrophobicContact CG-CD1 3.7Å; K407-L515 HydrophobicContact CB-CD2 4.11Å; K407-L515 HydrophobicContact CB-CG 4.42Å; K407-L515 HydrophobicContact CD-CD2 4.04Å; K407-L515 HydrophobicContact CD-CG 4.13Å; K407-L515 HydrophobicContact CG-CD2 3.76Å; K407-L515 HydrophobicContact CG-CG 4.29Å; I510-L515 HydrophobicContact CG2-CB 4.25Å; I510-L515 WeakPolarHBondContact O-CA 3.31Å; I510-L515 WeakPolarHBondContact O-CB 3.12Å; I510-L515 PolarHBondContact O-N 3.02Å; S513-L515 VanDerWaalsContact C-N 3.32Å; S513-L515 PolarHBondContact O-N 3.08Å; S513-L515 WeakPolarHBondContact OG-CD1 3.48Å; S513-L515 WeakPolarHBondContact OG-CG 3.35Å; L515-S517 PolarHBondContact O-N 3.02Å; L515-H518 CarbonylContact O-C 3.57Å; L515-H518 WeakPolarHBondContact O-CA 3.26Å; L515-H518 PolarHBondContact O-N 3.3Å; L515-L526 HydrophobicContact CD2-CB 4.12Å; L515-L526 HydrophobicContact CD2-CD1 4.01Å; L515-Y528 HydrophobicContact CD1-CD1 4.11Å; L515-Y528 HydrophobicContact CD1-CD2 4.35Å; L515-Y528 HydrophobicContact CD1-CG 3.95Å
516	D	96.8	Very high	96.9	Very high	64 Å²	64	45.1 Å²	45.1	34%	0.342	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.1	-25.6	170.6	65.9	-28.8	0	0	0	113	I510 G514 H518 L519	I510-D516 HydrophobicContact CG2-CB 4.02Å; I510-D516 PolarHBondContact O-N 3.16Å; I510-D516 VanDerWaalsContact O-N 3.11Å; G514-D516 VanDerWaalsContact C-N 3.34Å; G514-D516 WeakPolarHBondContact CA-OD1 3.46Å; D516-H518 PolarHBondContact O-N 3.29Å; D516-L519 VanDerWaalsContact O-CG 3.3Å; D516-L519 WeakPolarHBondContact O-CG 3.49Å
517	S	97.1	Very high	96.9	Very high	76 Å²	76	45.3 Å²	45.3	53%	0.531	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-74.3	-0.4	170.5	-60.6	0	0	0	0	114	L515 T522	L515-S517 PolarHBondContact O-N 3.02Å; S517-T522 WeakPolarHBondContact O-CG2 2.95Å
518	H	97.8	Very high	96.9	Very high	31 Å²	31	45.3 Å²	45.3	14%	0.144	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-132.4	33.4	-177.8	-65.2	-73	0	0	0	112.4	L411 L515 D516 T522 K524 P525 L526	L411-H518 VanDerWaalsContact CD2-CE1 3.45Å; L411-H518 WeakPolarHBondContact CD2-CE1 3.34Å; L515-H518 CarbonylContact O-C 3.57Å; L515-H518 WeakPolarHBondContact O-CA 3.26Å; L515-H518 PolarHBondContact O-N 3.3Å; D516-H518 PolarHBondContact O-N 3.29Å; H518-T522 WeakPolarHBondContact CA-OG1 3.46Å; H518-K524 PolarHBondContact ND1-O 3.21Å; H518-P525 WeakPolarHBondContact O-CA 3.32Å; H518-L526 HydrophobicContact CB-CB 3.98Å; H518-L526 HydrophobicContact CB-CD1 3.99Å; H518-L526 HydrophobicContact CB-CG 3.93Å; H518-L526 PolarHBondContact O-N 3.5Å
519	L	96.2	Very high	96.9	Very high	43 Å²	43	45.4 Å²	45.4	23%	0.225	24%	0.237	C	C	.	.	S	Bend	trans	-75.9	-179.5	172.3	-60.9	176.5	0	0	0	111.3	I510 D516 N521 T522	I510-L519 HydrophobicContact CG2-CD2 4.47Å; D516-L519 VanDerWaalsContact O-CG 3.3Å; D516-L519 WeakPolarHBondContact O-CG 3.49Å; L519-N521 PolarHBondContact O-N 2.81Å; L519-N521 VanDerWaalsContact O-N 3.11Å; L519-T522 WeakPolarHBondContact O-CB 3.37Å; L519-T522 WeakPolarHBondContact O-CG2 3.36Å; L519-T522 PolarHBondContact O-N 3.06Å; L519-T522 VanDerWaalsContact O-N 3.16Å; L519-T522 PolarHBondContact O-OG1 3.18Å
520	K	93.8	Very high	96.9	Very high	125 Å²	125	45.4 Å²	45.4	54%	0.543	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.9	-172.5	-66.2	-166.3	-68	169.4	0	115.2	P444 E447 T522	P444-K520 HydrophobicContact CG-CG 3.91Å; E447-K520 HydrophobicContact CB-CD 4.48Å; E447-K520 VanDerWaalsContact OE2-CD 3.24Å; E447-K520 WeakPolarHBondContact OE2-CD 3.42Å; K520-T522 PolarHBondContact O-N 3.32Å
521	N	92.1	Very high	96.9	Very high	142 Å²	142	45.4 Å²	45.4	76%	0.759	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	9	-176.1	64.1	-59.2	0	0	0	113.6	L519	L519-N521 PolarHBondContact O-N 2.81Å; L519-N521 VanDerWaalsContact O-N 3.11Å
522	T	94	Very high	96.9	Very high	38 Å²	38	43.9 Å²	43.9	23%	0.233	23%	0.229	C	C	.	.	S	Bend	trans	-107.2	161.8	-173.1	69.8	0	0	0	0	111.1	S517 H518 L519 K520 K524	S517-T522 WeakPolarHBondContact O-CG2 2.95Å; H518-T522 WeakPolarHBondContact CA-OG1 3.46Å; L519-T522 WeakPolarHBondContact O-CB 3.37Å; L519-T522 WeakPolarHBondContact O-CG2 3.36Å; L519-T522 PolarHBondContact O-N 3.06Å; L519-T522 VanDerWaalsContact O-N 3.16Å; L519-T522 PolarHBondContact O-OG1 3.18Å; K520-T522 PolarHBondContact O-N 3.32Å; T522-K524 VanDerWaalsContact C-N 3.26Å; T522-K524 PolarHBondContact O-N 3.25Å
523	E	92.5	Very high	96.9	Very high	193 Å²	193	43.9 Å²	43.9	90%	0.902	23%	0.229	S	C	*	.	S	Bend	trans	-64.6	-30.1	-179.7	-64.2	-176.6	172.5	0	0	113.3
524	K	94.5	Very high	96.9	Very high	125 Å²	125	45.1 Å²	45.1	54%	0.543	24%	0.239	S	C	.	.	S	Bend	trans	-128.4	76.4	-179.2	-67.4	-173.3	179.4	-175.5	0	109.6	L411 H518 T522	L411-K524 HydrophobicContact CD2-CB 4.15Å; L411-K524 HydrophobicContact CD2-CD 4.2Å; H518-K524 PolarHBondContact ND1-O 3.21Å; T522-K524 VanDerWaalsContact C-N 3.26Å; T522-K524 PolarHBondContact O-N 3.25Å
525	P	97.1	Very high	96.8	Very high	64 Å²	64	45 Å²	45	42%	0.416	24%	0.237	S	C	.	.			trans	-66	137.2	176.7	28	-33.2	0	0	0	110.1	P444 H518	P444-P525 HydrophobicContact CB-CB 4.11Å; P444-P525 HydrophobicContact CG-CB 3.74Å; H518-P525 WeakPolarHBondContact O-CA 3.32Å
526	L	98.3	Very high	96.8	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	24%	0.238	C	C	.	.			trans	-116.2	124.3	178	-70	177.9	0	0	0	110.7	K407 A410 L411 P416 L418 N442 L515 H518 Y528	K407-L526 HydrophobicContact CB-CD1 4.46Å; K407-L526 HydrophobicContact CG-CD1 3.6Å; A410-L526 HydrophobicContact CB-CD2 4.21Å; L411-L526 HydrophobicContact CD2-CD1 3.85Å; L411-L526 HydrophobicContact CD2-CD2 4.31Å; L411-L526 HydrophobicContact CD2-CG 4.23Å; L411-L526 HydrophobicContact CG-CD1 4.06Å; P416-L526 HydrophobicContact CB-CD2 4.44Å; P416-L526 HydrophobicContact CG-CD2 3.61Å; L418-L526 HydrophobicContact CD1-CB 4Å; L418-L526 HydrophobicContact CD1-CD1 4.39Å; L418-L526 HydrophobicContact CD1-CD2 4.35Å; L418-L526 HydrophobicContact CD1-CG 4.49Å; N442-L526 PolarHBondContact ND2-O 3.07Å; L515-L526 HydrophobicContact CD2-CB 4.12Å; L515-L526 HydrophobicContact CD2-CD1 4.01Å; H518-L526 HydrophobicContact CB-CB 3.98Å; H518-L526 HydrophobicContact CB-CD1 3.99Å; H518-L526 HydrophobicContact CB-CG 3.93Å; H518-L526 PolarHBondContact O-N 3.5Å; L526-Y528 PolarHBondContact O-N 3.25Å
527	A	98.2	Very high	96.7	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.2	175.6	0	0	0	0	0	110.4	L418 A445 L448	L418-A527 WeakPolarHBondContact CD1-O 3.44Å; L418-A527 PolarHBondContact N-O 3.38Å; A445-A527 HydrophobicContact CB-CB 4.02Å; L448-A527 HydrophobicContact CD1-CB 3.62Å
528	Y	98.8	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	177.2	169.2	-120.8	0	0	0	111.5	L403 L418 T420 N442 A445 V506 M509 I510 L515 L526	L403-Y528 HydrophobicContact CD1-CD2 4.03Å; L403-Y528 HydrophobicContact CD1-CE2 3.87Å; L403-Y528 HydrophobicContact CD2-CD2 4.4Å; L403-Y528 HydrophobicContact CD2-CE1 4.26Å; L403-Y528 HydrophobicContact CD2-CE2 3.8Å; L418-Y528 HydrophobicContact CB-CD2 4.05Å; L418-Y528 VanDerWaalsContact O-CA 3.32Å; L418-Y528 WeakPolarHBondContact O-CA 3.34Å; T420-Y528 HydrophobicContact CG2-CE2 3.77Å; T420-Y528 WeakPolarHBondContact OG1-CE2 3.38Å; T420-Y528 PolarHBondContact OG1-OH 3.44Å; N442-Y528 HydrophobicContact CB-CD1 4.49Å; N442-Y528 PolarHBondContact N-O 3.34Å; N442-Y528 PolarHBondContact OD1-N 3.07Å; N442-Y528 PolarHBondContact OD1-O 3.38Å; A445-Y528 WeakPolarHBondContact CB-O 3.46Å; V506-Y528 HydrophobicContact CG1-CE1 3.68Å; M509-Y528 WeakPolarHBondContact CE-OH 3.32Å; I510-Y528 HydrophobicContact CD1-CD1 4.08Å; I510-Y528 HydrophobicContact CD1-CE1 4.23Å; I510-Y528 HydrophobicContact CG1-CD1 3.67Å; I510-Y528 HydrophobicContact CG1-CE1 3.72Å; L515-Y528 HydrophobicContact CD1-CD1 4.11Å; L515-Y528 HydrophobicContact CD1-CD2 4.35Å; L515-Y528 HydrophobicContact CD1-CG 3.95Å; L526-Y528 PolarHBondContact O-N 3.25Å
529	T	98.8	Very high	96.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.9	178	-58.8	0	0	0	0	110.5	L418 M419 T420 I439 C441 Y454	L418-T529 PolarHBondContact O-N 3.07Å; M419-T529 CarbonylContact C-O 3.58Å; M419-T529 WeakPolarHBondContact CA-O 3.26Å; M419-T529 WeakPolarHBondContact CG-O 3.42Å; T420-T529 PolarHBondContact N-O 3.3Å; I439-T529 HydrophobicContact CG2-CG2 3.79Å; C441-T529 PolarHBondContact SG-OG1 3.46Å; Y454-T529 HydrophobicContact CD2-CG2 4.07Å; Y454-T529 HydrophobicContact CE2-CG2 3.93Å
530	H	98.9	Very high	96	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137	169.3	179.6	65.7	0	0	0	110.5	T420 L424 I439 V440 V506	T420-H530 PolarHBondContact O-ND1 2.83Å; T420-H530 PolarHBondContact OG1-ND1 3.3Å; L424-H530 WeakPolarHBondContact CD2-NE2 3.4Å; I439-H530 WeakPolarHBondContact CA-O 3.41Å; V440-H530 HydrophobicContact CB-CB 4.27Å; V440-H530 PolarHBondContact N-O 2.67Å; V440-H530 PolarHBondContact O-N 3.28Å; V506-H530 HydrophobicContact CB-CB 4.39Å; V506-H530 HydrophobicContact CG1-CB 3.86Å; V506-H530 HydrophobicContact CG2-CB 3.57Å; V506-H530 WeakPolarHBondContact CG2-CD2 3.32Å; V506-H530 VanDerWaalsContact CG2-CG 3.5Å
531	M	98.8	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	106.4	170.2	-68	-175.8	176.2	0	0	109.7	M419 T420 I421 A422 T437 G438 I439 Y454 I533 P548 T551	M419-M531 HydrophobicContact CE-CE 3.54Å; M419-M531 HydrophobicContact CE-SD 4.2Å; M419-M531 HydrophobicContact SD-CE 3.84Å; M419-M531 HydrophobicContact SD-CG 4.24Å; M419-M531 HydrophobicContact SD-SD 3.66Å; M419-M531 VanDerWaalsContact SD-SD 3.66Å; T420-M531 PolarHBondContact O-N 2.95Å; I421-M531 HydrophobicContact CG1-CB 4.46Å; A422-M531 PolarHBondContact N-O 2.97Å; T437-M531 HydrophobicContact CG2-CB 3.91Å; T437-M531 HydrophobicContact CG2-CG 4.36Å; G438-M531 WeakPolarHBondContact O-CA 3.48Å; I439-M531 HydrophobicContact CG1-CG 4.48Å; Y454-M531 HydrophobicContact CD1-CE 3.54Å; Y454-M531 HydrophobicContact CD2-CE 3.75Å; Y454-M531 HydrophobicContact CE1-CE 3.98Å; Y454-M531 HydrophobicContact CE2-CE 4.22Å; Y454-M531 HydrophobicContact CG-CE 3.44Å; Y454-M531 VanDerWaalsContact CG-CE 3.44Å; M531-I533 HydrophobicContact CB-CG2 4.43Å; M531-I533 PolarHBondContact O-N 3.14Å; M531-P548 HydrophobicContact SD-CB 3.82Å; M531-P548 HydrophobicContact SD-CG 3.43Å; M531-P548 WeakPolarHBondContact SD-CG 3.4Å; M531-T551 HydrophobicContact CE-CG2 4.48Å
532	D	98.7	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	101.2	171.2	-166.4	-11.7	0	0	0	109.3	A422 L424 T425 V428 T437 G438 A534	A422-D532 CarbonylContact O-C 3.34Å; A422-D532 WeakPolarHBondContact O-CA 3.44Å; L424-D532 PolarHBondContact N-OD1 2.84Å; T425-D532 WeakPolarHBondContact CB-OD2 3.34Å; T425-D532 WeakPolarHBondContact CG2-OD2 3.47Å; T425-D532 PolarHBondContact N-OD1 3.43Å; T425-D532 PolarHBondContact N-OD2 2.95Å; T425-D532 PolarHBondContact OG1-OD2 2.76Å; V428-D532 HydrophobicContact CB-CB 4.28Å; V428-D532 HydrophobicContact CG1-CB 4.14Å; V428-D532 VanDerWaalsContact CG1-CG 3.41Å; V428-D532 WeakPolarHBondContact CG1-OD1 3.47Å; V428-D532 WeakPolarHBondContact CG1-OD2 3.4Å; V428-D532 HydrophobicContact CG2-CB 4.34Å; T437-D532 WeakPolarHBondContact CA-O 3.45Å; G438-D532 PolarHBondContact N-O 3.05Å; G438-D532 PolarHBondContact O-N 3.43Å; D532-A534 VanDerWaalsContact OD1-CB 3.3Å; D532-A534 WeakPolarHBondContact OD1-CB 3.27Å; D532-A534 PolarHBondContact OD1-N 2.98Å
533	I	98.6	Very high	95.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.233	C	C	.	.			trans	-95.6	11.7	-177.2	62.6	162.4	0	0	0	112.6	C334 I421 A422 T423 T437 M531 S535 S536 N537 T547	C334-I533 HydrophobicContact CB-CD1 4.11Å; I421-I533 HydrophobicContact CG2-CD1 3.96Å; I421-I533 HydrophobicContact CG2-CG1 4.28Å; I421-I533 HydrophobicContact CG2-CG2 4.14Å; A422-I533 WeakPolarHBondContact O-CG1 2.97Å; A422-I533 PolarHBondContact O-N 3.42Å; T423-I533 HydrophobicContact CG2-CD1 4.3Å; T423-I533 HydrophobicContact CG2-CG1 4.02Å; T437-I533 HydrophobicContact CG2-CG2 3.74Å; M531-I533 HydrophobicContact CB-CG2 4.43Å; M531-I533 PolarHBondContact O-N 3.14Å; I533-S535 PolarHBondContact O-N 3.28Å; I533-S536 VanDerWaalsContact CA-OG 3.31Å; I533-S536 WeakPolarHBondContact CA-OG 3.29Å; I533-S536 WeakPolarHBondContact CB-OG 3.07Å; I533-S536 PolarHBondContact O-N 2.95Å; I533-S536 VanDerWaalsContact O-N 3.08Å; I533-S536 PolarHBondContact O-OG 3.47Å; I533-N537 WeakPolarHBondContact O-CB 3.42Å; I533-N537 PolarHBondContact O-N 2.92Å; I533-T547 VanDerWaalsContact CD1-O 3.29Å; I533-T547 WeakPolarHBondContact CD1-O 3.48Å; I533-T547 HydrophobicContact CG2-CG2 4.19Å
534	A	97.2	Very high	96	Very high	26 Å²	26	29.9 Å²	29.9	22%	0.215	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.6	-177	0	0	0	0	0	113.2	T425 V428 D532 N537	T425-A534 VanDerWaalsContact O-CB 3.28Å; T425-A534 WeakPolarHBondContact O-CB 3.47Å; V428-A534 HydrophobicContact CG1-CB 3.82Å; D532-A534 VanDerWaalsContact OD1-CB 3.3Å; D532-A534 WeakPolarHBondContact OD1-CB 3.27Å; D532-A534 PolarHBondContact OD1-N 2.98Å; A534-N537 PolarHBondContact O-OD1 3.28Å
535	S	96	Very high	96.1	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.028	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-23.8	174.4	27.2	0	0	0	0	114.5	V428 G433 G435 Y436 I533	V428-S535 VanDerWaalsContact CG1-OG 3.28Å; V428-S535 WeakPolarHBondContact CG1-OG 3.32Å; G433-S535 WeakPolarHBondContact O-CB 3.22Å; G435-S535 PolarHBondContact N-O 2.94Å; Y436-S535 VanDerWaalsContact O-CB 3.3Å; Y436-S535 WeakPolarHBondContact O-CB 3.5Å; Y436-S535 PolarHBondContact O-OG 3.46Å; I533-S535 PolarHBondContact O-N 3.28Å
536	S	97.9	Very high	96.1	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.028	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-1.6	-173.9	57	0	0	0	0	114.1	T437 I533 G538 T545	T437-S536 WeakPolarHBondContact OG1-CB 3.34Å; T437-S536 PolarHBondContact OG1-OG 3.19Å; I533-S536 VanDerWaalsContact CA-OG 3.31Å; I533-S536 WeakPolarHBondContact CA-OG 3.29Å; I533-S536 WeakPolarHBondContact CB-OG 3.07Å; I533-S536 PolarHBondContact O-N 2.95Å; I533-S536 VanDerWaalsContact O-N 3.08Å; I533-S536 PolarHBondContact O-OG 3.47Å; S536-G538 PolarHBondContact O-N 3.26Å; S536-G538 VanDerWaalsContact O-N 3.13Å; S536-T545 WeakPolarHBondContact O-CB 3.44Å; S536-T545 VanDerWaalsContact O-CG2 3.3Å; S536-T545 WeakPolarHBondContact O-CG2 3.07Å; S536-T545 PolarHBondContact O-OG1 2.54Å
537	N	96.3	Very high	96.1	Very high	25 Å²	25	23.6 Å²	23.6	13%	0.134	16%	0.163	C	C	.	.	S	Bend	trans	-69.7	-3.6	-179.9	70.1	1.7	0	0	0	114.9	C334 T423 I533 A534 P544 T545	C334-N537 HydrophobicContact CB-CB 4.17Å; T423-N537 HydrophobicContact CG2-CB 4.14Å; T423-N537 VanDerWaalsContact CG2-ND2 3.33Å; T423-N537 WeakPolarHBondContact CG2-ND2 3.24Å; I533-N537 WeakPolarHBondContact O-CB 3.42Å; I533-N537 PolarHBondContact O-N 2.92Å; A534-N537 PolarHBondContact O-OD1 3.28Å; N537-P544 WeakPolarHBondContact O-CA 3.28Å; N537-T545 PolarHBondContact O-N 3.1Å; N537-T545 VanDerWaalsContact O-N 3.14Å
538	G	94.1	Very high	96.1	Very high	20 Å²	20	23.3 Å²	23.3	21%	0.206	16%	0.161	C	C	.	.			trans	103.2	169.1	176	0	0	0	0	0	114.5	S536	S536-G538 PolarHBondContact O-N 3.26Å; S536-G538 VanDerWaalsContact O-N 3.13Å
539	P	92.9	Very high	96.1	Very high	84 Å²	84	23.3 Å²	23.3	55%	0.545	16%	0.161	S	C	.	.			trans	-68.2	146.5	-178.7	25.7	-31.6	0	0	0	112.3	P541 G542	P539-P541 CarbonylContact C-O 3.44Å; P539-P541 CarbonylContact O-C 3.57Å; P539-G542 CarbonylContact O-C 3.54Å; P539-G542 WeakPolarHBondContact O-CA 3.35Å; P539-G542 PolarHBondContact O-N 2.68Å
540	C	88.6	Confident	96.1	Very high	53 Å²	53	24 Å²	24	36%	0.358	16%	0.164	S	C	.	.	S	Bend	trans	-132.5	110.8	171.7	-165.7	0	0	0	0	110.1	T328	T328-C540 HydrophobicContact CG2-CB 3.86Å; T328-C540 WeakPolarHBondContact CG2-SG 3.43Å
541	P	89	Confident	96.1	Very high	126 Å²	126	24 Å²	24	82%	0.818	16%	0.164	S	C	*	.	S	Bend	cis	-67.3	147	3.9	29.5	-35.7	0	0	0	113.3	P539	P539-P541 CarbonylContact C-O 3.44Å; P539-P541 CarbonylContact O-C 3.57Å
542	G	92	Very high	96.1	Very high	38 Å²	38	24 Å²	24	39%	0.392	16%	0.164	S	C	.	.	S	Bend	trans	156	-174	-176.3	0	0	0	0	0	114.3	R331 P539	R331-G542 PolarHBondContact NH2-O 3.07Å; P539-G542 CarbonylContact O-C 3.54Å; P539-G542 WeakPolarHBondContact O-CA 3.35Å; P539-G542 PolarHBondContact O-N 2.68Å
543	I	94.8	Very high	96.1	Very high	42 Å²	42	24 Å²	24	22%	0.215	16%	0.164	C	C	.	.			trans	-96.6	132.5	178.2	-59.5	168.1	0	0	0	108.3	Y168 R226	Y168-I543 HydrophobicContact CD1-CB 4.48Å; Y168-I543 HydrophobicContact CD1-CD1 4.1Å; Y168-I543 HydrophobicContact CD1-CG1 4.15Å; Y168-I543 HydrophobicContact CD1-CG2 3.5Å; Y168-I543 HydrophobicContact CE1-CG1 4.49Å; Y168-I543 HydrophobicContact CE1-CG2 3.78Å; Y168-I543 HydrophobicContact CG-CG2 4.34Å; R226-I543 HydrophobicContact CG-CG2 4.18Å
544	P	96.5	Very high	96.1	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.026	17%	0.166	C	C	.	.			trans	-59.5	148.6	172.1	-23.9	34.3	0	0	0	112.2	R226 N537	R226-P544 HydrophobicContact CB-CB 4.44Å; R226-P544 HydrophobicContact CB-CG 4.37Å; R226-P544 HydrophobicContact CG-CB 3.93Å; R226-P544 HydrophobicContact CG-CG 4.31Å; R226-P544 WeakPolarHBondContact CG-O 3.43Å; R226-P544 PolarHBondContact NE-O 3.15Å; N537-P544 WeakPolarHBondContact O-CA 3.28Å
545	T	96.8	Very high	96	Very high	45 Å²	45	25.1 Å²	25.1	28%	0.276	16%	0.164	S	C	.	.			trans	-69	-44	173.2	50.9	0	0	0	0	111.3	R226 S536 N537 T547	R226-T545 PolarHBondContact NH2-O 3.18Å; S536-T545 WeakPolarHBondContact O-CB 3.44Å; S536-T545 VanDerWaalsContact O-CG2 3.3Å; S536-T545 WeakPolarHBondContact O-CG2 3.07Å; S536-T545 PolarHBondContact O-OG1 2.54Å; N537-T545 PolarHBondContact O-N 3.1Å; N537-T545 VanDerWaalsContact O-N 3.14Å; T545-T547 WeakPolarHBondContact CB-OG1 3.43Å; T545-T547 PolarHBondContact OG1-N 3.16Å; T545-T547 PolarHBondContact OG1-OG1 3.14Å; T545-T547 VanDerWaalsContact OG1-OG1 3.07Å
546	G	97.3	Very high	96	Very high	7 Å²	7	26.3 Å²	26.3	7%	0.072	17%	0.168	C	C	.	.			trans	90.3	10.6	-167	0	0	0	0	0	113.4	I549	G546-I549 WeakPolarHBondContact O-CB 3.41Å; G546-I549 WeakPolarHBondContact O-CD1 3.38Å; G546-I549 WeakPolarHBondContact O-CG1 3.47Å; G546-I549 PolarHBondContact O-N 3.33Å
547	T	98.3	Very high	96	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.055	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	138.1	180	-59.2	0	0	0	0	112.1	A338 T437 E463 I533 T545	A338-T547 WeakPolarHBondContact CB-O 3.42Å; T437-T547 WeakPolarHBondContact OG1-CG2 3.42Å; E463-T547 HydrophobicContact CB-CG2 4.4Å; E463-T547 HydrophobicContact CG-CG2 4.25Å; E463-T547 VanDerWaalsContact OE1-CA 3.3Å; E463-T547 WeakPolarHBondContact OE1-CA 3.3Å; I533-T547 VanDerWaalsContact CD1-O 3.29Å; I533-T547 WeakPolarHBondContact CD1-O 3.48Å; I533-T547 HydrophobicContact CG2-CG2 4.19Å; T545-T547 WeakPolarHBondContact CB-OG1 3.43Å; T545-T547 PolarHBondContact OG1-N 3.16Å; T545-T547 PolarHBondContact OG1-OG1 3.14Å; T545-T547 VanDerWaalsContact OG1-OG1 3.07Å
548	P	98.5	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	cis	-108.3	42	9.4	39.5	-29.4	0	0	0	114.2	I421 E463 M531 L550 T551 L552	I421-P548 HydrophobicContact CD1-CG 3.88Å; I421-P548 HydrophobicContact CG1-CG 4.36Å; I421-P548 HydrophobicContact CG2-CG 4.09Å; E463-P548 WeakPolarHBondContact OE2-CA 3.07Å; M531-P548 HydrophobicContact SD-CB 3.82Å; M531-P548 HydrophobicContact SD-CG 3.43Å; M531-P548 WeakPolarHBondContact SD-CG 3.4Å; P548-L550 VanDerWaalsContact C-N 3.3Å; P548-L550 PolarHBondContact O-N 3.05Å; P548-T551 WeakPolarHBondContact O-CB 3.16Å; P548-T551 PolarHBondContact O-N 2.72Å; P548-L552 WeakPolarHBondContact O-CG 3.26Å; P548-L552 PolarHBondContact O-N 3.36Å
549	I	98.8	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-41.9	-176.1	-70.6	168.9	0	0	0	111.8	L222 A225 A338 F342 V345 E463 G546 T551 L552 A553	L222-I549 HydrophobicContact CD2-CB 3.96Å; L222-I549 HydrophobicContact CD2-CD1 4.24Å; L222-I549 HydrophobicContact CD2-CG2 4.26Å; A225-I549 HydrophobicContact CB-CD1 3.57Å; A338-I549 HydrophobicContact CB-CG1 4.42Å; A338-I549 WeakPolarHBondContact O-CG1 3.39Å; F342-I549 HydrophobicContact CB-CG1 4.38Å; V345-I549 HydrophobicContact CG2-CG2 3.95Å; E463-I549 PolarHBondContact OE1-N 3.28Å; G546-I549 WeakPolarHBondContact O-CB 3.41Å; G546-I549 WeakPolarHBondContact O-CD1 3.38Å; G546-I549 WeakPolarHBondContact O-CG1 3.47Å; G546-I549 PolarHBondContact O-N 3.33Å; I549-T551 VanDerWaalsContact C-N 3.35Å; I549-L552 PolarHBondContact O-N 3.23Å; I549-A553 WeakPolarHBondContact O-CB 3.29Å; I549-A553 PolarHBondContact O-N 2.65Å
550	L	98.7	Very high	96.1	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-70	-35.3	-178.6	-60	178.5	0	0	0	111.3	L161 L218 L222 L461 E463 P548 A553 S554	L161-L550 HydrophobicContact CD1-CD1 3.91Å; L161-L550 HydrophobicContact CD1-CD2 3.87Å; L218-L550 HydrophobicContact CB-CD2 4.13Å; L218-L550 HydrophobicContact CD1-CD2 4.05Å; L218-L550 HydrophobicContact CD2-CD2 4.35Å; L218-L550 HydrophobicContact CG-CD2 4.41Å; L222-L550 HydrophobicContact CD1-CD1 4.33Å; L222-L550 HydrophobicContact CD1-CD2 4.08Å; L222-L550 HydrophobicContact CD1-CG 4.32Å; L222-L550 HydrophobicContact CD2-CG 4.27Å; L461-L550 HydrophobicContact CB-CB 4.08Å; L461-L550 HydrophobicContact CB-CD1 4.1Å; L461-L550 HydrophobicContact CD1-CB 4.08Å; L461-L550 HydrophobicContact CD1-CD2 4.23Å; E463-L550 HydrophobicContact CG-CB 4.1Å; E463-L550 HydrophobicContact CG-CD1 4.48Å; E463-L550 PolarHBondContact OE1-N 3.19Å; E463-L550 PolarHBondContact OE2-N 3.43Å; P548-L550 VanDerWaalsContact C-N 3.3Å; P548-L550 PolarHBondContact O-N 3.05Å; L550-A553 PolarHBondContact O-N 3.47Å; L550-S554 WeakPolarHBondContact O-CB 3.42Å; L550-S554 PolarHBondContact O-N 3.15Å; L550-S554 PolarHBondContact O-OG 3.41Å
551	T	98.7	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-46.5	173.7	-57.3	0	0	0	0	111.2	Y454 A457 G458 E463 H465 M531 P548 I549 S554 R555	Y454-T551 HydrophobicContact CD1-CG2 4.06Å; Y454-T551 WeakPolarHBondContact O-CG2 3.42Å; A457-T551 HydrophobicContact CB-CG2 4.35Å; G458-T551 VanDerWaalsContact CA-OG1 3.25Å; G458-T551 WeakPolarHBondContact CA-OG1 3.39Å; E463-T551 WeakPolarHBondContact CB-OG1 3.33Å; E463-T551 VanDerWaalsContact OE2-CB 3.3Å; E463-T551 WeakPolarHBondContact OE2-CB 3.26Å; E463-T551 PolarHBondContact OE2-N 3Å; E463-T551 PolarHBondContact OE2-OG1 2.85Å; H465-T551 PolarHBondContact CE1-OG1 3.25Å; H465-T551 WeakPolarHBondContact NE2-CG2 3.22Å; H465-T551 PolarHBondContact NE2-OG1 3.34Å; M531-T551 HydrophobicContact CE-CG2 4.48Å; P548-T551 WeakPolarHBondContact O-CB 3.16Å; P548-T551 PolarHBondContact O-N 2.72Å; I549-T551 VanDerWaalsContact C-N 3.35Å; T551-S554 PolarHBondContact O-N 2.82Å; T551-R555 WeakPolarHBondContact O-CB 3.3Å; T551-R555 PolarHBondContact O-N 3.38Å
552	L	98.7	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-42.5	177.4	-65.6	176.3	0	0	0	111.3	L306 F342 M419 I421 Y454 P548 I549 R555 Y556	L306-L552 HydrophobicContact CD1-CD1 4.17Å; F342-L552 HydrophobicContact CB-CD1 4.19Å; F342-L552 HydrophobicContact CD1-CD1 4.06Å; F342-L552 HydrophobicContact CD2-CB 3.63Å; F342-L552 HydrophobicContact CD2-CD1 4.12Å; F342-L552 HydrophobicContact CE1-CB 4.4Å; F342-L552 HydrophobicContact CE1-CD1 4.48Å; F342-L552 HydrophobicContact CE2-CB 3.45Å; F342-L552 VanDerWaalsContact CE2-CB 3.45Å; F342-L552 HydrophobicContact CG-CB 4.21Å; F342-L552 HydrophobicContact CG-CD1 3.86Å; F342-L552 HydrophobicContact CZ-CB 3.86Å; M419-L552 HydrophobicContact CE-CD2 3.99Å; M419-L552 HydrophobicContact SD-CD2 4.01Å; I421-L552 HydrophobicContact CD1-CD1 4.13Å; Y454-L552 HydrophobicContact CE1-CD2 4.42Å; P548-L552 WeakPolarHBondContact O-CG 3.26Å; P548-L552 PolarHBondContact O-N 3.36Å; I549-L552 PolarHBondContact O-N 3.23Å; L552-R555 PolarHBondContact O-N 3.49Å; L552-Y556 HydrophobicContact CD2-CD2 4.31Å; L552-Y556 HydrophobicContact CD2-CE2 4Å; L552-Y556 WeakPolarHBondContact O-CB 3.4Å; L552-Y556 WeakPolarHBondContact O-CD2 3.49Å; L552-Y556 PolarHBondContact O-N 2.87Å
553	A	98.5	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-44.6	176.3	0	0	0	0	0	112.3	L218 I549 L550 R555 Y556 I557 L558	L218-A553 HydrophobicContact CD2-CB 3.47Å; L218-A553 VanDerWaalsContact CD2-CB 3.47Å; I549-A553 WeakPolarHBondContact O-CB 3.29Å; I549-A553 PolarHBondContact O-N 2.65Å; L550-A553 PolarHBondContact O-N 3.47Å; A553-R555 PolarHBondContact O-N 3.49Å; A553-Y556 PolarHBondContact O-N 3.08Å; A553-I557 HydrophobicContact CB-CD1 4.41Å; A553-I557 WeakPolarHBondContact O-CA 3.46Å; A553-I557 WeakPolarHBondContact O-CB 3.28Å; A553-I557 PolarHBondContact O-N 3.45Å; A553-L558 HydrophobicContact CB-CG 4.44Å; A553-L558 PolarHBondContact O-N 3.41Å
554	S	97.9	Very high	96.7	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-34.2	175.6	-71.2	0	0	0	0	112.7	A457 L550 T551 P559 W564	A457-S554 WeakPolarHBondContact O-CB 3.43Å; A457-S554 PolarHBondContact O-OG 2.79Å; L550-S554 WeakPolarHBondContact O-CB 3.42Å; L550-S554 PolarHBondContact O-N 3.15Å; L550-S554 PolarHBondContact O-OG 3.41Å; T551-S554 PolarHBondContact O-N 2.82Å; S554-P559 VanDerWaalsContact O-CD 3.31Å; S554-P559 WeakPolarHBondContact O-CD 3.17Å; S554-P559 WeakPolarHBondContact O-CG 3.44Å; S554-W564 PolarHBondContact O-NE1 2.75Å; S554-W564 WeakPolarHBondContact OG-CZ2 3.18Å
555	R	96.8	Very high	96.7	Very high	48 Å²	48	28.3 Å²	28.3	18%	0.181	14%	0.138	C	C	.	.	H	α-helix	trans	-82.7	-44.9	179.3	-175.2	175.8	-176.1	128.5	16.7	112.9	E450 D453 A457 T551 L552 A553	E450-R555 VanDerWaalsContact CD-NH2 3.29Å; E450-R555 PolarHBondContact O-NH1 3.44Å; E450-R555 IonicContact OE1-CZ 2.75Å; E450-R555 IonicContact OE1-NH2 3.84Å; E450-R555 PolarHBondContact OE1-NH2 3.31Å; E450-R555 IonicContact OE2-CZ 4Å; E450-R555 VanDerWaalsContact OE2-CZ 3.25Å; E450-R555 IonicContact OE2-NE 2.65Å; E450-R555 IonicContact OE2-NH1 2.91Å; E450-R555 PolarHBondContact OE2-NH1 2.98Å; E450-R555 IonicContact OE2-NH2 3.74Å; E450-R555 PolarHBondContact OE2-NH2 3.37Å; D453-R555 VanDerWaalsContact CB-CZ 3.43Å; D453-R555 IonicContact OD2-CZ 2.72Å; D453-R555 IonicContact OD2-NH1 3.85Å; D453-R555 IonicContact OD2-NH2 3.7Å; D453-R555 PolarHBondContact OD2-NH2 3.15Å; A457-R555 HydrophobicContact CB-CB 4.09Å; T551-R555 WeakPolarHBondContact O-CB 3.3Å; T551-R555 PolarHBondContact O-N 3.38Å; L552-R555 PolarHBondContact O-N 3.49Å; A553-R555 PolarHBondContact O-N 3.49Å
556	Y	96.2	Very high	96.3	Very high	29 Å²	29	31.4 Å²	31.4	11%	0.114	15%	0.154	C	C	.	.	H	α-helix	trans	-111.1	-11.4	-164.1	-62.5	-63.3	0	0	0	115.1	V302 L304 L354 Y454 L552 A553	V302-Y556 HydrophobicContact CG1-CD1 4.47Å; V302-Y556 HydrophobicContact CG1-CE1 4.02Å; L304-Y556 HydrophobicContact CD1-CE2 4.23Å; L304-Y556 HydrophobicContact CD2-CD2 3.98Å; L304-Y556 HydrophobicContact CD2-CE2 3.76Å; L354-Y556 HydrophobicContact CD1-CD1 4.43Å; Y454-Y556 HydrophobicContact CE1-CE2 4.15Å; Y454-Y556 PolarHBondContact OH-OH 2.86Å; L552-Y556 HydrophobicContact CD2-CD2 4.31Å; L552-Y556 HydrophobicContact CD2-CE2 4Å; L552-Y556 WeakPolarHBondContact O-CB 3.4Å; L552-Y556 WeakPolarHBondContact O-CD2 3.49Å; L552-Y556 PolarHBondContact O-N 2.87Å; A553-Y556 PolarHBondContact O-N 3.08Å
557	I	96.6	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-57.6	-172.5	-55.2	176.8	0	0	0	111	F342 V345 L346 L349 P351 A553 E560 Q561	F342-I557 HydrophobicContact CE2-CD1 3.64Å; F342-I557 HydrophobicContact CE2-CG1 4.43Å; F342-I557 HydrophobicContact CZ-CD1 3.97Å; F342-I557 HydrophobicContact CZ-CG1 4.49Å; V345-I557 HydrophobicContact CG1-CD1 3.74Å; L346-I557 HydrophobicContact CD2-CD1 3.86Å; L349-I557 HydrophobicContact CD1-CG2 3.61Å; P351-I557 HydrophobicContact CB-CG1 4.35Å; P351-I557 HydrophobicContact CB-CG2 4.21Å; P351-I557 HydrophobicContact CG-CD1 4.3Å; P351-I557 HydrophobicContact CG-CG1 4.1Å; A553-I557 HydrophobicContact CB-CD1 4.41Å; A553-I557 WeakPolarHBondContact O-CA 3.46Å; A553-I557 WeakPolarHBondContact O-CB 3.28Å; A553-I557 PolarHBondContact O-N 3.45Å; I557-E560 PolarHBondContact O-N 2.88Å; I557-Q561 HydrophobicContact CG2-CG 4.04Å; I557-Q561 WeakPolarHBondContact O-CG 3.23Å
558	L	97.3	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-33.5	-171.1	-60.8	179.1	0	0	0	115.1	L157 L214 L218 L461 A553 E560 Q561 M562 W564	L157-L558 HydrophobicContact CD2-CD1 3.95Å; L214-L558 HydrophobicContact CD1-CD2 4.38Å; L214-L558 HydrophobicContact CD2-CD2 4.46Å; L218-L558 HydrophobicContact CD1-CD1 4.35Å; L218-L558 HydrophobicContact CD1-CD2 4.42Å; L461-L558 HydrophobicContact CD1-CD1 3.92Å; A553-L558 HydrophobicContact CB-CG 4.44Å; A553-L558 PolarHBondContact O-N 3.41Å; L558-E560 PolarHBondContact O-N 3.49Å; L558-Q561 PolarHBondContact O-N 3.13Å; L558-M562 HydrophobicContact CD2-SD 4.15Å; L558-M562 PolarHBondContact O-N 3.1Å; L558-M562 VanDerWaalsContact O-N 3.1Å; L558-W564 HydrophobicContact CB-CD2 3.73Å; L558-W564 HydrophobicContact CB-CE3 4.07Å; L558-W564 HydrophobicContact CB-CG 4.09Å; L558-W564 HydrophobicContact CB-CZ2 4.25Å; L558-W564 HydrophobicContact CB-CZ3 4.45Å; L558-W564 HydrophobicContact CD1-CD2 4.41Å; L558-W564 HydrophobicContact CD1-CE3 4.42Å; L558-W564 HydrophobicContact CD1-CH2 3.48Å; L558-W564 VanDerWaalsContact CD1-CH2 3.48Å; L558-W564 HydrophobicContact CD1-CZ2 3.44Å; L558-W564 VanDerWaalsContact CD1-CZ2 3.44Å; L558-W564 HydrophobicContact CD1-CZ3 3.97Å; L558-W564 HydrophobicContact CG-CZ2 4.48Å
559	P	95.1	Very high	93.7	Very high	48 Å²	48	52 Å²	52	31%	0.312	25%	0.253	S	S	.	.	H	α-helix	trans	-57.5	-30.7	177	-27	35.7	0	0	0	115.2	S554 W564	S554-P559 VanDerWaalsContact O-CD 3.31Å; S554-P559 WeakPolarHBondContact O-CD 3.17Å; S554-P559 WeakPolarHBondContact O-CG 3.44Å; P559-W564 HydrophobicContact CB-CB 4.46Å; P559-W564 HydrophobicContact CG-CG 4.45Å
560	E	92.2	Very high	93.5	Very high	113 Å²	113	54.6 Å²	54.6	53%	0.528	27%	0.265	S	S	.	.	H	α-helix	trans	-89.4	-13.3	175.8	-64	-172	168.8	0	0	112.7	I557 L558	I557-E560 PolarHBondContact O-N 2.88Å; L558-E560 PolarHBondContact O-N 3.49Å
561	Q	93.3	Very high	93.2	Very high	41 Å²	41	56.7 Å²	56.7	19%	0.192	28%	0.275	C	S	.	.	H	α-helix	trans	-94.5	-28.3	-175.5	-62.5	-56.4	-40.3	0	0	113	K210 L214 I557 L558	K210-Q561 WeakPolarHBondContact CD-O 3.45Å; K210-Q561 WeakPolarHBondContact CE-O 3.47Å; K210-Q561 PolarHBondContact NZ-O 3.41Å; L214-Q561 HydrophobicContact CD1-CB 3.97Å; L214-Q561 HydrophobicContact CD2-CB 4.05Å; L214-Q561 HydrophobicContact CD2-CG 4.08Å; I557-Q561 HydrophobicContact CG2-CG 4.04Å; I557-Q561 WeakPolarHBondContact O-CG 3.23Å; L558-Q561 PolarHBondContact O-N 3.13Å
562	M	94.6	Very high	92.9	Very high	33 Å²	33	59.8 Å²	59.8	16%	0.163	29%	0.29	C	S	.	.	S	Bend	trans	-158.6	170.4	-173.1	58.1	-158.4	-63.1	0	0	110.3	S153 L157 L211 L214 L558 W564	S153-M562 WeakPolarHBondContact OG-CE 3.31Å; L157-M562 HydrophobicContact CD2-SD 4.49Å; L211-M562 HydrophobicContact CD1-CE 3.58Å; L214-M562 HydrophobicContact CD1-CE 4.43Å; L214-M562 HydrophobicContact CD1-CG 4.4Å; L214-M562 HydrophobicContact CD1-SD 3.4Å; L214-M562 WeakPolarHBondContact CD1-SD 3.32Å; L558-M562 HydrophobicContact CD2-SD 4.15Å; L558-M562 PolarHBondContact O-N 3.1Å; L558-M562 VanDerWaalsContact O-N 3.1Å; M562-W564 HydrophobicContact CE-CE3 4.26Å; M562-W564 HydrophobicContact CE-CZ3 4.06Å; M562-W564 HydrophobicContact CG-CE3 3.74Å; M562-W564 HydrophobicContact CG-CZ3 4.36Å; M562-W564 PolarHBondContact O-N 3.23Å; M562-W564 HydrophobicContact SD-CE3 3.84Å; M562-W564 HydrophobicContact SD-CZ3 3.84Å
563	K	94.8	Very high	92.6	Very high	163 Å²	163	63.4 Å²	63.4	71%	0.709	31%	0.308	S	S	*	.			trans	-63.2	99.7	172.7	-177.4	-174.4	178	-174.9	0	108.7	E151 S153	E151-K563 VanDerWaalsContact CD-O 3.26Å; E151-K563 VanDerWaalsContact OE2-O 3.14Å; S153-K563 PolarHBondContact OG-O 3.39Å
564	W	96.2	Very high	92.2	Very high	20 Å²	20	67.3 Å²	67.3	8%	0.076	33%	0.327	C	S	.	.			trans	-115.8	137.4	-173.9	-155.9	-107.7	0	0	0	110.9	V154 L157 L460 L461 S554 L558 P559 M562	V154-W564 HydrophobicContact CB-CH2 4.27Å; V154-W564 HydrophobicContact CB-CZ3 4.27Å; V154-W564 HydrophobicContact CG1-CH2 4.33Å; V154-W564 HydrophobicContact CG2-CD2 4.26Å; V154-W564 HydrophobicContact CG2-CE3 3.85Å; V154-W564 HydrophobicContact CG2-CH2 3.73Å; V154-W564 HydrophobicContact CG2-CZ2 4.12Å; V154-W564 HydrophobicContact CG2-CZ3 3.59Å; L157-W564 HydrophobicContact CD2-CH2 3.89Å; L157-W564 HydrophobicContact CD2-CZ3 4Å; L460-W564 HydrophobicContact CB-CZ2 4.16Å; L460-W564 HydrophobicContact CD1-CZ2 4.05Å; L460-W564 VanDerWaalsContact CD1-NE1 3.29Å; L461-W564 HydrophobicContact CD1-CH2 3.94Å; L461-W564 HydrophobicContact CD1-CZ2 4.1Å; L461-W564 HydrophobicContact CD2-CH2 4.01Å; L461-W564 HydrophobicContact CG-CH2 3.94Å; L461-W564 HydrophobicContact CG-CZ2 4.1Å; S554-W564 PolarHBondContact O-NE1 2.75Å; S554-W564 WeakPolarHBondContact OG-CZ2 3.18Å; L558-W564 HydrophobicContact CB-CD2 3.73Å; L558-W564 HydrophobicContact CB-CE3 4.07Å; L558-W564 HydrophobicContact CB-CG 4.09Å; L558-W564 HydrophobicContact CB-CZ2 4.25Å; L558-W564 HydrophobicContact CB-CZ3 4.45Å; L558-W564 HydrophobicContact CD1-CD2 4.41Å; L558-W564 HydrophobicContact CD1-CE3 4.42Å; L558-W564 HydrophobicContact CD1-CH2 3.48Å; L558-W564 VanDerWaalsContact CD1-CH2 3.48Å; L558-W564 HydrophobicContact CD1-CZ2 3.44Å; L558-W564 VanDerWaalsContact CD1-CZ2 3.44Å; L558-W564 HydrophobicContact CD1-CZ3 3.97Å; L558-W564 HydrophobicContact CG-CZ2 4.48Å; P559-W564 HydrophobicContact CB-CB 4.46Å; P559-W564 HydrophobicContact CG-CG 4.45Å; M562-W564 HydrophobicContact CE-CE3 4.26Å; M562-W564 HydrophobicContact CE-CZ3 4.06Å; M562-W564 HydrophobicContact CG-CE3 3.74Å; M562-W564 HydrophobicContact CG-CZ3 4.36Å; M562-W564 PolarHBondContact O-N 3.23Å; M562-W564 HydrophobicContact SD-CE3 3.84Å; M562-W564 HydrophobicContact SD-CZ3 3.84Å
565	P	94.9	Very high	91.8	Very high	19 Å²	19	71.5 Å²	71.5	12%	0.123	35%	0.347	C	S	.	.			trans	-62.6	137.8	173.9	-22	33.4	0	0	0	111.7	C148 E151 V154 F456 L460	C148-P565 HydrophobicContact CB-CB 3.81Å; C148-P565 HydrophobicContact CB-CG 4.15Å; C148-P565 WeakPolarHBondContact O-CG 3.36Å; E151-P565 HydrophobicContact CB-CG 3.76Å; E151-P565 HydrophobicContact CG-CG 4.07Å; V154-P565 VanDerWaalsContact CG2-CD 3.5Å; V154-P565 HydrophobicContact CG2-CG 3.81Å; F456-P565 HydrophobicContact CE1-CB 4.42Å; F456-P565 HydrophobicContact CZ-CB 3.97Å; L460-P565 HydrophobicContact CD1-CB 4.32Å; L460-P565 HydrophobicContact CD1-CG 4.49Å; L460-P565 HydrophobicContact CD2-CB 4.03Å; L460-P565 HydrophobicContact CD2-CG 4.01Å
566	N	89.3	Confident	91.5	Very high	111 Å²	111	73.2 Å²	73.2	59%	0.594	36%	0.358	S	S	*	.			trans	-109.5	147.7	169.5	-71	-38.5	0	0	0	109.7	F456 K568	F456-N566 VanDerWaalsContact CE1-C 3.45Å; N566-K568 PolarHBondContact O-N 3.48Å
567	R	89.6	Confident	91.1	Very high	72 Å²	72	76.6 Å²	76.6	27%	0.272	38%	0.377	S	S	.	.			trans	-63.1	126.2	174.4	-177	177.9	159.1	-126.2	-2.6	109	D453 F456	D453-R567 WeakPolarHBondContact OD1-CD 3.21Å; D453-R567 IonicContact OD1-CZ 2.74Å; D453-R567 IonicContact OD1-NE 2.75Å; D453-R567 IonicContact OD1-NH1 3.91Å; D453-R567 PolarHBondContact OD1-NH1 3.4Å; F456-R567 HydrophobicContact CB-CB 4.18Å; F456-R567 HydrophobicContact CB-CG 4.29Å; F456-R567 HydrophobicContact CD1-CB 3.69Å; F456-R567 HydrophobicContact CD2-CB 4.26Å; F456-R567 HydrophobicContact CD2-CG 4.42Å; F456-R567 HydrophobicContact CE1-CB 4.11Å; F456-R567 HydrophobicContact CG-CB 3.76Å; F456-R567 HydrophobicContact CG-CG 4.18Å
568	K	80.9	Confident	90.6	Very high	199 Å²	199	83 Å²	83	87%	0.865	41%	0.409	S	S	*	.			trans	-79.9	116.7	167.9	-63.3	-179.9	-177.9	175.8	0	107.2	N566	N566-K568 PolarHBondContact O-N 3.48Å
569	V	69.5	Low	90	Very high	177 Å²	177	90.5 Å²	90.5	100%	1.073	45%	0.446	S	S	*	.			trans	-82.3	0	176.1	179.8	0	0	0	0	110.1

Retrieved 569 of 569 residues in 1314.6 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).