A0A3Q0KJH8_SCHMA Loading...

Nuclear pore complex protein Nup214 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 521 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	42.5	Very low	65.6	Low	242 Å²	242	143.9 Å²	143.9	100%	1.192	70%	0.7	S	S	*	*				0	-10.6	0	-95.6	177.8	173.7	0	0	115.2	N3	M1-N3 PolarHBondContact O-N 3.21Å
2	M	46.6	Very low	67.1	Low	188 Å²	188	137.9 Å²	137.9	93%	0.926	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-5.1	-174.3	-83	173.7	168.2	0	0	117.3
3	N	58.8	Low	68.6	Low	130 Å²	130	135.5 Å²	135.5	70%	0.695	66%	0.664	S	S	*	*	H	α-helix	trans	-93.5	-7.7	-172.2	-147.6	5.5	0	0	0	115.7	M1	M1-N3 PolarHBondContact O-N 3.21Å
4	R	51.6	Low	69.8	Low	217 Å²	217	131.1 Å²	131.1	82%	0.819	65%	0.648	S	S	*	*	H	α-helix	trans	-86.2	-31.1	176.7	-77	-171.2	178	-173	0	113.2	L8	R4-L8 PolarHBondContact O-N 2.96Å
5	C	61	Low	70.8	Confident	86 Å²	86	129.8 Å²	129.8	58%	0.581	64%	0.644	S	S	*	*	H	α-helix	trans	-75	-35.3	-178	-147.5	0	0	0	0	111.8	L8 K9	C5-L8 PolarHBondContact O-N 3.05Å; C5-K9 PolarHBondContact O-N 3.38Å
6	G	66.6	Low	71.8	Confident	38 Å²	38	128.9 Å²	128.9	39%	0.392	64%	0.638	S	S	.	*	H	α-helix	trans	-60.6	-51.3	172.9	0	0	0	0	0	112.1	L8 K9 E10	G6-L8 VanDerWaalsContact C-N 3.28Å; G6-L8 PolarHBondContact O-N 2.84Å; G6-K9 PolarHBondContact O-N 3.2Å; G6-E10 WeakPolarHBondContact O-CB 3.4Å; G6-E10 PolarHBondContact O-N 3.42Å
7	N	77.5	Confident	72.7	Confident	92 Å²	92	127.1 Å²	127.1	49%	0.492	63%	0.627	S	S	.	*	H	α-helix	trans	-58.2	-35.9	177.6	-101.3	-49.5	0	0	0	113.6	R11	N7-R11 WeakPolarHBondContact O-CB 3.32Å; N7-R11 VanDerWaalsContact O-CG 3.26Å; N7-R11 WeakPolarHBondContact O-CG 3.22Å; N7-R11 PolarHBondContact O-N 3.15Å
8	L	75.9	Confident	73.5	Confident	114 Å²	114	126 Å²	126	60%	0.597	62%	0.62	S	S	*	*	H	α-helix	trans	-73.4	-44.7	176.8	-105.7	144.5	0	0	0	112.1	R4 C5 G6 E10 R11 V12	R4-L8 PolarHBondContact O-N 2.96Å; C5-L8 PolarHBondContact O-N 3.05Å; G6-L8 VanDerWaalsContact C-N 3.28Å; G6-L8 PolarHBondContact O-N 2.84Å; L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 2.88Å; L8-R11 PolarHBondContact O-N 2.91Å; L8-V12 WeakPolarHBondContact O-CB 3.28Å; L8-V12 VanDerWaalsContact O-CG2 3.26Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.13Å
9	K	80.4	Confident	74.3	Confident	161 Å²	161	124.2 Å²	124.2	70%	0.7	61%	0.613	S	S	*	*	H	α-helix	trans	-59	-42.4	174.4	-85.2	-172.9	174.6	-176.4	0	111.6	C5 G6 V12 H13	C5-K9 PolarHBondContact O-N 3.38Å; G6-K9 PolarHBondContact O-N 3.2Å; K9-V12 PolarHBondContact O-N 3.29Å; K9-H13 WeakPolarHBondContact O-CB 3.31Å; K9-H13 PolarHBondContact O-N 3.14Å
10	E	82.2	Confident	74.9	Confident	131 Å²	131	124.6 Å²	124.6	61%	0.612	61%	0.613	S	S	*	*	H	α-helix	trans	-67.3	-44	179.4	-162.1	167.9	-160.4	0	0	111.6	G6 L8 V12 H13 V14	G6-E10 WeakPolarHBondContact O-CB 3.4Å; G6-E10 PolarHBondContact O-N 3.42Å; L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 2.88Å; E10-V12 PolarHBondContact O-N 3.47Å; E10-H13 WeakPolarHBondContact O-CB 3.43Å; E10-H13 PolarHBondContact O-N 3.19Å; E10-V14 WeakPolarHBondContact O-CG2 3.44Å; E10-V14 PolarHBondContact O-N 2.9Å
11	R	78.1	Confident	75.5	Confident	184 Å²	184	126 Å²	126	69%	0.694	62%	0.616	S	S	*	*	H	α-helix	trans	-62.7	-40.6	174	-75.8	174.8	89.4	178	7.8	113	N7 L8 H13 V14 L15	N7-R11 WeakPolarHBondContact O-CB 3.32Å; N7-R11 VanDerWaalsContact O-CG 3.26Å; N7-R11 WeakPolarHBondContact O-CG 3.22Å; N7-R11 PolarHBondContact O-N 3.15Å; L8-R11 PolarHBondContact O-N 2.91Å; R11-H13 VanDerWaalsContact C-N 3.32Å; R11-V14 PolarHBondContact O-N 3.28Å; R11-L15 WeakPolarHBondContact O-CB 3.37Å; R11-L15 WeakPolarHBondContact O-CG 3.47Å; R11-L15 PolarHBondContact O-N 3.36Å
12	V	84.4	Confident	77.6	Confident	72 Å²	72	120.9 Å²	120.9	44%	0.436	59%	0.587	S	S	.	*	H	α-helix	trans	-64.7	-39.7	175.5	171.1	0	0	0	0	110.6	L8 K9 E10 L15 Q16	L8-V12 WeakPolarHBondContact O-CB 3.28Å; L8-V12 VanDerWaalsContact O-CG2 3.26Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.13Å; K9-V12 PolarHBondContact O-N 3.29Å; E10-V12 PolarHBondContact O-N 3.47Å; V12-L15 PolarHBondContact O-N 3.26Å; V12-Q16 WeakPolarHBondContact O-CG 3.49Å; V12-Q16 PolarHBondContact O-N 3.44Å
13	H	85.7	Confident	79.4	Confident	106 Å²	106	119.6 Å²	119.6	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-63.8	-44.6	176.7	-168.6	62.7	0	0	0	112.2	K9 E10 R11 L15 Q16 Q17	K9-H13 WeakPolarHBondContact O-CB 3.31Å; K9-H13 PolarHBondContact O-N 3.14Å; E10-H13 WeakPolarHBondContact O-CB 3.43Å; E10-H13 PolarHBondContact O-N 3.19Å; R11-H13 VanDerWaalsContact C-N 3.32Å; H13-L15 PolarHBondContact O-N 2.97Å; H13-Q16 PolarHBondContact O-N 3.46Å; H13-Q17 PolarHBondContact CD2-NE2 2.89Å; H13-Q17 PolarHBondContact NE2-NE2 3.2Å; H13-Q17 WeakPolarHBondContact O-CG 3.37Å; H13-Q17 PolarHBondContact O-N 2.79Å
14	V	85.8	Confident	80.7	Confident	74 Å²	74	118.1 Å²	118.1	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-61.6	-43.9	175.7	173.3	0	0	0	0	111.4	E10 R11 Q16 Q17 E18	E10-V14 WeakPolarHBondContact O-CG2 3.44Å; E10-V14 PolarHBondContact O-N 2.9Å; R11-V14 PolarHBondContact O-N 3.28Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.39Å; V14-Q17 PolarHBondContact O-N 3.33Å; V14-E18 PolarHBondContact O-N 2.81Å
15	L	84.3	Confident	82.1	Confident	112 Å²	112	113.2 Å²	113.2	59%	0.586	55%	0.553	S	S	*	*	H	α-helix	trans	-65.3	-36.3	177.9	-74.4	169	0	0	0	112.5	R11 V12 H13 E18 L19	R11-L15 WeakPolarHBondContact O-CB 3.37Å; R11-L15 WeakPolarHBondContact O-CG 3.47Å; R11-L15 PolarHBondContact O-N 3.36Å; V12-L15 PolarHBondContact O-N 3.26Å; H13-L15 PolarHBondContact O-N 2.97Å; L15-E18 PolarHBondContact O-N 2.86Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 3.34Å
16	Q	87.5	Confident	82.9	Confident	116 Å²	116	114.5 Å²	114.5	54%	0.542	55%	0.553	S	S	.	*	H	α-helix	trans	-64.4	-42.6	173.6	-82.2	177.5	-31.6	0	0	111.6	V12 H13 V14 L19 E20	V12-Q16 WeakPolarHBondContact O-CG 3.49Å; V12-Q16 PolarHBondContact O-N 3.44Å; H13-Q16 PolarHBondContact O-N 3.46Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.39Å; Q16-L19 PolarHBondContact O-N 3.22Å; Q16-E20 PolarHBondContact O-N 3.24Å
17	Q	87.5	Confident	83.4	Confident	98 Å²	98	118.7 Å²	118.7	46%	0.458	56%	0.562	S	S	.	*	H	α-helix	trans	-64.6	-40	176	-70	-176.5	1.8	0	0	112.5	H13 V14 E20 K21	H13-Q17 PolarHBondContact CD2-NE2 2.89Å; H13-Q17 PolarHBondContact NE2-NE2 3.2Å; H13-Q17 WeakPolarHBondContact O-CG 3.37Å; H13-Q17 PolarHBondContact O-N 2.79Å; V14-Q17 PolarHBondContact O-N 3.33Å; Q17-E20 PolarHBondContact O-N 2.79Å; Q17-K21 PolarHBondContact O-N 3.3Å
18	E	87	Confident	83.4	Confident	107 Å²	107	120.4 Å²	120.4	50%	0.5	57%	0.566	S	S	.	*	H	α-helix	trans	-65.1	-39.2	174.3	-78.3	-163.2	155.2	0	0	112.3	V14 L15 K21 K22	V14-E18 PolarHBondContact O-N 2.81Å; L15-E18 PolarHBondContact O-N 2.86Å; E18-K21 PolarHBondContact O-N 2.92Å; E18-K22 WeakPolarHBondContact O-CG 3.49Å; E18-K22 PolarHBondContact O-N 3.45Å
19	L	88.1	Confident	83.1	Confident	91 Å²	91	117.4 Å²	117.4	48%	0.476	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-43.1	177.5	-165.9	81.6	0	0	0	111.3	L15 Q16 K22 R23	L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 3.34Å; Q16-L19 PolarHBondContact O-N 3.22Å; L19-K22 PolarHBondContact O-N 3.47Å; L19-R23 WeakPolarHBondContact O-CG 3.31Å; L19-R23 PolarHBondContact O-N 2.79Å
20	E	87.6	Confident	82.3	Confident	133 Å²	133	115.3 Å²	115.3	62%	0.621	55%	0.55	S	S	*	.	H	α-helix	trans	-62.8	-43.2	174.5	-84.8	-175.6	153.2	0	0	112	Q16 Q17 K22 R23 L24	Q16-E20 PolarHBondContact O-N 3.24Å; Q17-E20 PolarHBondContact O-N 2.79Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 2.9Å; E20-R23 PolarHBondContact O-N 3.2Å; E20-L24 WeakPolarHBondContact O-CB 3.13Å; E20-L24 PolarHBondContact O-N 3.49Å
21	K	86	Confident	81.4	Confident	155 Å²	155	116.9 Å²	116.9	67%	0.674	56%	0.555	S	S	*	*	H	α-helix	trans	-57.6	-45.5	173.1	-86.3	-177.5	176	175.7	0	111.8	Q17 E18 L24 L25	Q17-K21 PolarHBondContact O-N 3.3Å; E18-K21 PolarHBondContact O-N 2.92Å; K21-L24 PolarHBondContact O-N 3.01Å; K21-L25 VanDerWaalsContact O-CG 3.31Å; K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 3.25Å
22	K	86.9	Confident	80.7	Confident	133 Å²	133	115.7 Å²	115.7	58%	0.578	56%	0.555	S	S	*	*	H	α-helix	trans	-65.3	-40.2	177.9	-76.3	-178.1	178.5	175.6	0	112.5	E18 L19 E20 L25 L26	E18-K22 WeakPolarHBondContact O-CG 3.49Å; E18-K22 PolarHBondContact O-N 3.45Å; L19-K22 PolarHBondContact O-N 3.47Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 2.9Å; K22-L25 PolarHBondContact O-N 3.06Å; K22-L26 PolarHBondContact O-N 3.43Å
23	R	85.6	Confident	79.1	Confident	161 Å²	161	117.3 Å²	117.3	61%	0.608	56%	0.56	S	S	*	*	H	α-helix	trans	-62.1	-42.1	174.3	-77.4	177.4	174.6	173	-1.6	112	L19 E20 L25 L26 Q27	L19-R23 WeakPolarHBondContact O-CG 3.31Å; L19-R23 PolarHBondContact O-N 2.79Å; E20-R23 PolarHBondContact O-N 3.2Å; R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L26 PolarHBondContact O-N 2.7Å; R23-Q27 PolarHBondContact O-N 3.38Å
24	L	84.5	Confident	77.1	Confident	100 Å²	100	120 Å²	120	52%	0.524	57%	0.57	S	S	.	*	H	α-helix	trans	-68.8	-34.8	179.3	-152.1	124.1	0	0	0	112	E20 K21 K28	E20-L24 WeakPolarHBondContact O-CB 3.13Å; E20-L24 PolarHBondContact O-N 3.49Å; K21-L24 PolarHBondContact O-N 3.01Å; L24-K28 WeakPolarHBondContact O-CG 3.46Å; L24-K28 PolarHBondContact O-N 3.02Å
25	L	81.4	Confident	75	Confident	114 Å²	114	119.9 Å²	119.9	60%	0.597	57%	0.573	S	S	*	*	H	α-helix	trans	-66.1	-42.3	172	-72.9	168.2	0	0	0	112	K21 K22 R23 K28 A29	K21-L25 VanDerWaalsContact O-CG 3.31Å; K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 3.25Å; K22-L25 PolarHBondContact O-N 3.06Å; R23-L25 VanDerWaalsContact C-N 3.35Å; L25-K28 PolarHBondContact O-N 3.29Å; L25-A29 PolarHBondContact O-N 3.15Å
26	L	77.5	Confident	73	Confident	113 Å²	113	119.3 Å²	119.3	59%	0.592	58%	0.575	S	S	*	*	H	α-helix	trans	-62.1	-45.7	174.8	-95.9	152.7	0	0	0	112.1	K22 R23 K28 A29 E30	K22-L26 PolarHBondContact O-N 3.43Å; R23-L26 PolarHBondContact O-N 2.7Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.69Å; L26-A29 WeakPolarHBondContact O-CB 3.36Å; L26-A29 PolarHBondContact O-N 2.91Å; L26-A29 VanDerWaalsContact O-N 3.15Å; L26-E30 PolarHBondContact O-N 3.06Å
27	Q	78.5	Confident	70.4	Confident	125 Å²	125	121.9 Å²	121.9	58%	0.584	58%	0.584	S	S	*	*	H	α-helix	trans	-62.7	-36.2	175.1	-79.5	-174.2	-8.9	0	0	112.8	R23 K31	R23-Q27 PolarHBondContact O-N 3.38Å; Q27-K31 PolarHBondContact O-N 2.82Å
28	K	77.3	Confident	67.6	Low	128 Å²	128	122.2 Å²	122.2	56%	0.557	59%	0.593	S	S	*	*	H	α-helix	trans	-66.1	-40.1	173.2	-79.4	-177.3	177.4	-176.5	0	111.7	L24 L25 L26 K31 K32	L24-K28 WeakPolarHBondContact O-CG 3.46Å; L24-K28 PolarHBondContact O-N 3.02Å; L25-K28 PolarHBondContact O-N 3.29Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.69Å; K28-K31 PolarHBondContact O-N 2.96Å; K28-K32 PolarHBondContact O-N 3.29Å
29	A	68.8	Low	64.7	Low	51 Å²	51	122.6 Å²	122.6	42%	0.421	60%	0.603	S	S	.	*	H	α-helix	trans	-64.5	-44.1	175.7	0	0	0	0	0	111.5	L25 L26 K31 K32 L33	L25-A29 PolarHBondContact O-N 3.15Å; L26-A29 WeakPolarHBondContact O-CB 3.36Å; L26-A29 PolarHBondContact O-N 2.91Å; L26-A29 VanDerWaalsContact O-N 3.15Å; A29-K31 PolarHBondContact O-N 3.48Å; A29-K32 PolarHBondContact O-N 2.99Å; A29-L33 PolarHBondContact O-N 3.01Å
30	E	64.2	Low	61.6	Low	117 Å²	117	127.6 Å²	127.6	55%	0.547	62%	0.624	S	S	.	*	H	α-helix	trans	-63.3	-41.1	175.7	-77.2	-174.2	162.6	0	0	112.8	L26 K32 L33 K34	L26-E30 PolarHBondContact O-N 3.06Å; E30-K32 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 3.37Å; E30-L33 PolarHBondContact O-N 3.31Å; E30-K34 PolarHBondContact O-N 2.96Å
31	K	63	Low	58.7	Low	165 Å²	165	126.6 Å²	126.6	72%	0.717	63%	0.628	S	S	*	*	H	α-helix	trans	-62.4	-40.5	174.6	-80.1	-173.4	177.7	-175.8	0	111.9	Q27 K28 A29 K34 S35	Q27-K31 PolarHBondContact O-N 2.82Å; K28-K31 PolarHBondContact O-N 2.96Å; A29-K31 PolarHBondContact O-N 3.48Å; K31-K34 PolarHBondContact O-N 3.39Å; K31-S35 PolarHBondContact O-N 3.42Å; K31-S35 PolarHBondContact O-OG 3.01Å
32	K	62.3	Low	55.8	Low	158 Å²	158	124.1 Å²	124.1	69%	0.687	63%	0.631	S	S	*	*	H	α-helix	trans	-64.5	-38.7	174.8	-80.7	-172.3	173.9	-170.1	0	112.5	K28 A29 E30 S35 T36	K28-K32 PolarHBondContact O-N 3.29Å; A29-K32 PolarHBondContact O-N 2.99Å; E30-K32 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 3.37Å; K32-S35 WeakPolarHBondContact CA-OG 3.39Å; K32-S35 PolarHBondContact O-N 3.36Å; K32-S35 PolarHBondContact O-OG 2.92Å; K32-T36 PolarHBondContact O-N 3.27Å; K32-T36 PolarHBondContact O-OG1 3.49Å
33	L	50.8	Low	52.8	Low	106 Å²	106	125.8 Å²	125.8	56%	0.555	64%	0.644	S	S	*	*	H	α-helix	trans	-67.2	-43.4	176.5	-118.9	144.9	0	0	0	111.2	A29 E30 S35 T36 F37	A29-L33 PolarHBondContact O-N 3.01Å; E30-L33 PolarHBondContact O-N 3.31Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.42Å; L33-T36 WeakPolarHBondContact CA-OG1 3.3Å; L33-T36 PolarHBondContact O-N 3.46Å; L33-T36 PolarHBondContact O-OG1 3.25Å; L33-F37 HydrophobicContact CD2-CE2 4.16Å; L33-F37 VanDerWaalsContact O-CD2 3.3Å; L33-F37 WeakPolarHBondContact O-CD2 3.25Å
34	K	44.1	Very low	49.8	Very low	162 Å²	162	125.4 Å²	125.4	70%	0.704	65%	0.654	S	S	*	*	H	α-helix	trans	-66.3	-32.3	175.9	-74.7	-175.5	178.5	-179.9	0	113	E30 K31 T36	E30-K34 PolarHBondContact O-N 2.96Å; K31-K34 PolarHBondContact O-N 3.39Å; K34-T36 VanDerWaalsContact C-N 3.34Å
35	S	43.1	Very low	46.9	Very low	72 Å²	72	128.8 Å²	128.8	50%	0.503	67%	0.671	S	S	.	*	H	α-helix	trans	-76	-19.3	175	62.6	0	0	0	0	113.8	K31 K32 L33 F37 T38	K31-S35 PolarHBondContact O-N 3.42Å; K31-S35 PolarHBondContact O-OG 3.01Å; K32-S35 WeakPolarHBondContact CA-OG 3.39Å; K32-S35 PolarHBondContact O-N 3.36Å; K32-S35 PolarHBondContact O-OG 2.92Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.42Å; S35-F37 VanDerWaalsContact C-N 3.35Å; S35-T38 PolarHBondContact O-OG1 3.04Å
36	T	40.5	Very low	44.2	Very low	101 Å²	101	128.3 Å²	128.3	62%	0.62	68%	0.675	S	S	*	*	H	α-helix	trans	-80.9	-15	175.3	13.3	0	0	0	0	112.9	K32 L33 K34 T38	K32-T36 PolarHBondContact O-N 3.27Å; K32-T36 PolarHBondContact O-OG1 3.49Å; L33-T36 WeakPolarHBondContact CA-OG1 3.3Å; L33-T36 PolarHBondContact O-N 3.46Å; L33-T36 PolarHBondContact O-OG1 3.25Å; K34-T36 VanDerWaalsContact C-N 3.34Å; T36-T38 VanDerWaalsContact C-N 3.25Å; T36-T38 PolarHBondContact O-N 2.96Å
37	F	33.1	Very low	41.6	Very low	170 Å²	170	129.4 Å²	129.4	75%	0.746	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-11.7	173.6	-87	-77.4	0	0	0	114	L33 S35	L33-F37 HydrophobicContact CD2-CE2 4.16Å; L33-F37 VanDerWaalsContact O-CD2 3.3Å; L33-F37 WeakPolarHBondContact O-CD2 3.25Å; S35-F37 VanDerWaalsContact C-N 3.35Å
38	T	29	Very low	38.9	Very low	105 Å²	105	130 Å²	130	64%	0.644	70%	0.698	S	S	*	*	S	Bend	trans	-110.1	69.5	177	47.9	0	0	0	0	110.7	S35 T36	S35-T38 PolarHBondContact O-OG1 3.04Å; T36-T38 VanDerWaalsContact C-N 3.25Å; T36-T38 PolarHBondContact O-N 2.96Å
39	T	25.6	Very low	36.3	Very low	114 Å²	114	132.2 Å²	132.2	70%	0.699	71%	0.711	S	S	*	*			trans	173.8	85.3	150.6	41.9	0	0	0	0	109.6
40	Q	24.1	Very low	34.1	Very low	197 Å²	197	138 Å²	138	92%	0.921	73%	0.729	S	S	*	*			trans	-101.6	99.7	144	-93.5	-173.3	-21.5	0	0	106.1	S42	Q40-S42 PolarHBondContact O-N 3.46Å
41	P	26.5	Very low	32.1	Very low	111 Å²	111	138.2 Å²	138.2	72%	0.721	74%	0.738	S	S	*	*			trans	-72.5	114.4	168.3	-5.3	23.1	0	0	0	107.3	I43	P41-I43 PolarHBondContact O-N 3.29Å
42	S	24.5	Very low	30.2	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	74%	0.738	S	S	*	*			trans	-48.7	127.2	165.1	46.5	0	0	0	0	110.1	Q40 L44	Q40-S42 PolarHBondContact O-N 3.46Å; S42-L44 PolarHBondContact O-N 3.48Å
43	I	24.4	Very low	28.4	Very low	169 Å²	169	136.1 Å²	136.1	87%	0.867	75%	0.745	S	S	*	*	S	Bend	trans	-49.2	100.7	164.8	-60.7	160.7	0	0	0	107.3	P41	P41-I43 PolarHBondContact O-N 3.29Å
44	L	21.7	Very low	27.1	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	76%	0.761	S	S	*	*			trans	171.1	97.9	162.1	-94	165	0	0	0	106.8	S42	S42-L44 PolarHBondContact O-N 3.48Å
45	L	24.3	Very low	26.4	Very low	171 Å²	171	137.5 Å²	137.5	90%	0.895	76%	0.763	S	S	*	*			trans	177.3	149.7	132.1	-90.6	156.2	0	0	0	110.4
46	P	24.4	Very low	25.5	Very low	104 Å²	104	139 Å²	139	68%	0.675	77%	0.771	S	S	*	*			trans	-87.3	163.4	-158.6	35.7	-36.1	0	0	0	114.2
47	V	22.7	Very low	24.7	Very low	135 Å²	135	143.6 Å²	143.6	82%	0.818	79%	0.785	S	S	*	*			trans	-20.8	121.3	167.5	-174.2	0	0	0	0	114.8
48	T	23.2	Very low	24.3	Very low	138 Å²	138	141.4 Å²	141.4	85%	0.847	79%	0.79	S	S	*	*			trans	-136.3	128	150.1	35.9	0	0	0	0	109.4
49	E	21.6	Very low	24.1	Very low	174 Å²	174	142 Å²	142	81%	0.813	80%	0.798	S	S	*	*			trans	-62.1	170.5	164.2	-64.7	176.8	142.6	0	0	111.2
50	E	22.6	Very low	24	Very low	174 Å²	174	139.8 Å²	139.8	81%	0.813	80%	0.798	S	S	*	*			trans	102.2	94.8	165.8	-58.1	-163.7	163.2	0	0	118
51	T	22.2	Very low	24	Very low	120 Å²	120	136.9 Å²	136.9	74%	0.736	79%	0.794	S	S	*	*				62.4	136.9	123.3	54.4	0	0	0	0	122.4
52	S	23.7	Very low	23.8	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	80%	0.798	S	S	*	*			trans	71.1	101.2	143.9	55.7	0	0	0	0	117.6
53	E	24.1	Very low	23.7	Very low	177 Å²	177	138.5 Å²	138.5	83%	0.827	79%	0.793	S	S	*	*				178.8	126.9	92.1	-89.7	-178.2	173.5	0	0	109.4	V55	E53-V55 PolarHBondContact O-N 2.93Å
54	I	24.3	Very low	23.6	Very low	174 Å²	174	136.6 Å²	136.6	89%	0.892	79%	0.789	S	S	*	*			trans	-73.7	104.4	176.3	-61.3	164.6	0	0	0	106.9
55	V	29	Very low	23.6	Very low	123 Å²	123	138.1 Å²	138.1	75%	0.745	79%	0.789	S	S	*	*			trans	-97.1	129.7	169.8	-176.8	0	0	0	0	108.8	E53	E53-V55 PolarHBondContact O-N 2.93Å
56	P	24.3	Very low	23.5	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	78%	0.779	S	S	*	*			trans	-72.4	144	-163.7	-10.9	26.7	0	0	0	112.6	C58	P56-C58 VanDerWaalsContact C-N 3.34Å; P56-C58 PolarHBondContact O-N 3.45Å
57	E	23.6	Very low	23.4	Very low	198 Å²	198	140.9 Å²	140.9	93%	0.925	79%	0.789	S	S	*	*			trans	-56.5	89.9	167.2	-69.4	179.2	151.9	0	0	111	S59	E57-S59 PolarHBondContact O-N 3.2Å
58	C	25.2	Very low	23.3	Very low	124 Å²	124	142.9 Å²	142.9	84%	0.838	78%	0.782	S	S	*	*			trans	-84	89.5	162.9	-100	0	0	0	0	108.9	P56 G60	P56-C58 VanDerWaalsContact C-N 3.34Å; P56-C58 PolarHBondContact O-N 3.45Å; C58-G60 PolarHBondContact O-N 3.45Å
59	S	23.6	Very low	23.3	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	77%	0.773	S	S	*	*			trans	-35	120.9	157.8	56.1	0	0	0	0	112.5	E57	E57-S59 PolarHBondContact O-N 3.2Å
60	G	23.1	Very low	23.4	Very low	68 Å²	68	139 Å²	139	70%	0.701	77%	0.768	S	S	*	*			trans	177.7	19.2	174.8	0	0	0	0	0	114.7	C58 T62	C58-G60 PolarHBondContact O-N 3.45Å; G60-T62 PolarHBondContact O-N 2.91Å
61	V	25.2	Very low	23.4	Very low	137 Å²	137	139.5 Å²	139.5	83%	0.83	77%	0.77	S	S	*	*			trans	-83.2	97.6	162	-176.4	0	0	0	0	105.1	D63	V61-D63 VanDerWaalsContact C-N 3.34Å; V61-D63 PolarHBondContact O-N 3.21Å
62	T	22.6	Very low	23.4	Very low	131 Å²	131	137.9 Å²	137.9	80%	0.804	76%	0.764	S	S	*	*			trans	-57.8	101.2	168.6	35.7	0	0	0	0	108.2	G60 V64	G60-T62 PolarHBondContact O-N 2.91Å; T62-V64 PolarHBondContact O-N 3.42Å; T62-V64 VanDerWaalsContact O-N 3.13Å
63	D	22.6	Very low	23.3	Very low	117 Å²	117	138.3 Å²	138.3	63%	0.626	76%	0.764	S	S	*	*			trans	-37.3	116.9	164.6	-82.2	-26	0	0	0	109.5	V61 K65 R68	V61-D63 VanDerWaalsContact C-N 3.34Å; V61-D63 PolarHBondContact O-N 3.21Å; D63-K65 VanDerWaalsContact C-N 3.34Å; D63-K65 PolarHBondContact O-N 3.26Å; D63-R68 IonicContact OD2-NH2 3.79Å
64	V	22.5	Very low	23.3	Very low	129 Å²	129	136.5 Å²	136.5	78%	0.782	77%	0.765	S	S	*	*			trans	-58.6	106.6	158.4	177.7	0	0	0	0	104.7	T62 L66	T62-V64 PolarHBondContact O-N 3.42Å; T62-V64 VanDerWaalsContact O-N 3.13Å; V64-L66 PolarHBondContact O-N 3.28Å
65	K	19.9	Very low	23.1	Very low	184 Å²	184	135.8 Å²	135.8	80%	0.8	76%	0.758	S	S	*	*			trans	-62.7	77.3	175.2	-77	-177.8	175.9	-179.7	0	109.2	D63 F67	D63-K65 VanDerWaalsContact C-N 3.34Å; D63-K65 PolarHBondContact O-N 3.26Å; K65-F67 PolarHBondContact O-N 2.88Å
66	L	23.1	Very low	22.8	Very low	129 Å²	129	133.1 Å²	133.1	68%	0.675	76%	0.755	S	S	*	*			trans	-55.4	121.4	151	-79.5	160.2	0	0	0	105.4	V64 R68	V64-L66 PolarHBondContact O-N 3.28Å; L66-R68 PolarHBondContact O-N 2.7Å
67	F	22.1	Very low	22.6	Very low	204 Å²	204	132.8 Å²	132.8	90%	0.895	75%	0.75	S	S	*	*			trans	-23.1	91.2	-177.2	-67.8	-92.5	0	0	0	114.4	K65 S69	K65-F67 PolarHBondContact O-N 2.88Å; F67-S69 PolarHBondContact O-N 2.75Å
68	R	20.8	Very low	22.5	Very low	177 Å²	177	131 Å²	131	67%	0.668	75%	0.746	S	S	*	*			trans	-73.8	80.4	161.1	-75.1	-166.4	-174.1	-178.7	2.9	107.3	D63 L66 I70	D63-R68 IonicContact OD2-NH2 3.79Å; L66-R68 PolarHBondContact O-N 2.7Å; R68-I70 VanDerWaalsContact C-N 3.27Å; R68-I70 HydrophobicContact CB-CD1 4.32Å; R68-I70 HydrophobicContact CB-CG1 3.93Å; R68-I70 PolarHBondContact O-N 2.79Å; R68-I70 VanDerWaalsContact O-N 3.14Å
69	S	22.5	Very low	22.4	Very low	94 Å²	94	126.3 Å²	126.3	66%	0.657	71%	0.713	S	S	*	*			trans	-74.5	94.3	154	67.6	0	0	0	0	106.1	F67 E71	F67-S69 PolarHBondContact O-N 2.75Å; S69-E71 PolarHBondContact O-N 3.42Å
70	I	25.2	Very low	22.4	Very low	138 Å²	138	127 Å²	127	71%	0.708	70%	0.703	S	S	*	*			trans	-72.8	-10.8	177.4	-61.6	178.1	0	0	0	111	R68	R68-I70 VanDerWaalsContact C-N 3.27Å; R68-I70 HydrophobicContact CB-CD1 4.32Å; R68-I70 HydrophobicContact CB-CG1 3.93Å; R68-I70 PolarHBondContact O-N 2.79Å; R68-I70 VanDerWaalsContact O-N 3.14Å
71	E	21.8	Very low	22.7	Very low	183 Å²	183	127 Å²	127	86%	0.855	69%	0.691	S	S	*	*			trans	-127.2	68	-175.4	-66.1	177	-177.3	0	0	110.5	S69	S69-E71 PolarHBondContact O-N 3.42Å
72	S	21.9	Very low	23	Very low	87 Å²	87	125.7 Å²	125.7	61%	0.608	68%	0.683	S	S	*	*			trans	-136.3	99.1	146.3	-178.1	0	0	0	0	105.2	V74	S72-V74 PolarHBondContact O-N 3.39Å; S72-V74 VanDerWaalsContact O-N 3.15Å
73	P	22.4	Very low	23.6	Very low	111 Å²	111	121.3 Å²	121.3	72%	0.721	66%	0.658	S	S	*	*			trans	-51.8	129.3	171.6	20.8	-30	0	0	0	107.3	Q75	P73-Q75 PolarHBondContact O-N 2.71Å
74	V	23	Very low	24.2	Very low	139 Å²	139	123.8 Å²	123.8	84%	0.842	67%	0.666	S	S	*	*			trans	-62.9	78.1	170.6	-178.5	0	0	0	0	106.9	S72 G76	S72-V74 PolarHBondContact O-N 3.39Å; S72-V74 VanDerWaalsContact O-N 3.15Å; V74-G76 VanDerWaalsContact C-N 3.29Å; V74-G76 PolarHBondContact O-N 3Å
75	Q	20.3	Very low	24.9	Very low	159 Å²	159	123.8 Å²	123.8	74%	0.743	66%	0.657	S	S	*	*			trans	-72.1	101.3	150.5	-89.9	-179.6	-18.3	0	0	103.9	P73 V77	P73-Q75 PolarHBondContact O-N 2.71Å; Q75-V77 HydrophobicContact CB-CG2 4.3Å; Q75-V77 PolarHBondContact O-N 2.73Å
76	G	22.1	Very low	25.7	Very low	66 Å²	66	115.3 Å²	115.3	68%	0.68	62%	0.621	S	S	*	*			trans	-54.3	95.1	146.1	0	0	0	0	0	104.9	V74 L78	V74-G76 VanDerWaalsContact C-N 3.29Å; V74-G76 PolarHBondContact O-N 3Å; G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 2.95Å
77	V	20.4	Very low	26.2	Very low	96 Å²	96	110.6 Å²	110.6	58%	0.582	60%	0.598	S	S	*	*			trans	-65.6	106.3	170.5	-176.1	0	0	0	0	102.7	Q75 I79	Q75-V77 HydrophobicContact CB-CG2 4.3Å; Q75-V77 PolarHBondContact O-N 2.73Å; V77-I79 HydrophobicContact CB-CG1 4.01Å; V77-I79 HydrophobicContact CG1-CD1 4.41Å; V77-I79 HydrophobicContact CG1-CG1 3.52Å; V77-I79 PolarHBondContact O-N 2.93Å
78	L	21.9	Very low	27	Very low	160 Å²	160	108 Å²	108	84%	0.838	58%	0.583	S	S	*	*			trans	-64.2	78.8	165.5	-131.2	149.3	0	0	0	104.7	G76 Q80	G76-L78 VanDerWaalsContact C-N 3.27Å; G76-L78 PolarHBondContact O-N 2.95Å; L78-Q80 PolarHBondContact O-N 3.29Å
79	I	22.6	Very low	27.7	Very low	26 Å²	26	101.1 Å²	101.1	13%	0.133	56%	0.558	C	S	.	*			trans	-70.9	96.4	170.1	-64.3	-174.4	0	0	0	103.4	V77 S83 C86 L130 E133	V77-I79 HydrophobicContact CB-CG1 4.01Å; V77-I79 HydrophobicContact CG1-CD1 4.41Å; V77-I79 HydrophobicContact CG1-CG1 3.52Å; V77-I79 PolarHBondContact O-N 2.93Å; I79-S83 WeakPolarHBondContact CG2-OG 3.31Å; I79-C86 HydrophobicContact CD1-CB 4.39Å; I79-C86 HydrophobicContact CG2-CB 3.92Å; I79-L130 HydrophobicContact CB-CD2 4.36Å; I79-E133 WeakPolarHBondContact CD1-OE2 3.48Å
80	Q	23.9	Very low	28.3	Very low	132 Å²	132	98.8 Å²	98.8	62%	0.617	54%	0.538	S	S	*	.			trans	-46.5	130.6	153.8	-75.7	-174	-19	0	0	105.6	L78 T82 S83	L78-Q80 PolarHBondContact O-N 3.29Å; Q80-T82 VanDerWaalsContact CB-OG1 3.31Å; Q80-T82 WeakPolarHBondContact CB-OG1 3.47Å; Q80-T82 PolarHBondContact O-N 3.5Å; Q80-S83 PolarHBondContact O-N 2.89Å
81	P	30.3	Very low	28.7	Very low	68 Å²	68	94.3 Å²	94.3	44%	0.442	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	27.4	179.5	26.1	-32.3	0	0	0	113.1	L130	P81-L130 HydrophobicContact CB-CB 4.5Å
82	T	31.4	Very low	29.2	Very low	109 Å²	109	91.1 Å²	91.1	67%	0.669	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-8.6	163.4	52.9	0	0	0	0	112.7	Q80 E84	Q80-T82 VanDerWaalsContact CB-OG1 3.31Å; Q80-T82 WeakPolarHBondContact CB-OG1 3.47Å; Q80-T82 PolarHBondContact O-N 3.5Å; T82-E84 PolarHBondContact O-N 2.87Å
83	S	34.8	Very low	29.9	Very low	39 Å²	39	87.9 Å²	87.9	27%	0.273	49%	0.487	S	S	.	.			trans	-69.6	110.7	176.4	98.8	0	0	0	0	110.4	I79 Q80 E85 C86	I79-S83 WeakPolarHBondContact CG2-OG 3.31Å; Q80-S83 PolarHBondContact O-N 2.89Å; S83-E85 PolarHBondContact O-N 3.31Å; S83-C86 PolarHBondContact O-N 2.89Å; S83-C86 WeakPolarHBondContact OG-CB 3.33Å
84	E	35.3	Very low	30.8	Very low	169 Å²	169	85.3 Å²	85.3	79%	0.79	47%	0.469	S	S	*	.	H	α-helix	trans	-41.1	-37.7	175.7	-173.2	-172.6	159.7	0	0	113	T82 R88	T82-E84 PolarHBondContact O-N 2.87Å; E84-R88 WeakPolarHBondContact O-CB 3.4Å; E84-R88 PolarHBondContact O-N 2.98Å
85	E	37.5	Very low	31.6	Very low	130 Å²	130	80.4 Å²	80.4	61%	0.607	44%	0.438	S	S	*	.	H	α-helix	trans	-72.1	-38.1	-176.9	-164.8	172.8	-167.7	0	0	113.5	S83 H89	S83-E85 PolarHBondContact O-N 3.31Å; E85-H89 WeakPolarHBondContact O-CB 3.38Å; E85-H89 PolarHBondContact O-N 2.96Å
86	C	36.7	Very low	32.7	Very low	6 Å²	6	73.2 Å²	73.2	4%	0.041	41%	0.406	C	S	.	.	H	α-helix	trans	-67.2	-48.7	179.4	-176.6	0	0	0	0	111.1	I79 S83 R88 H89 I90	I79-C86 HydrophobicContact CD1-CB 4.39Å; I79-C86 HydrophobicContact CG2-CB 3.92Å; S83-C86 PolarHBondContact O-N 2.89Å; S83-C86 WeakPolarHBondContact OG-CB 3.33Å; C86-R88 PolarHBondContact O-N 2.96Å; C86-H89 WeakPolarHBondContact O-CB 3.47Å; C86-H89 PolarHBondContact O-N 3.3Å; C86-H89 VanDerWaalsContact O-N 3.16Å; C86-I90 WeakPolarHBondContact O-CG1 3.48Å; C86-I90 PolarHBondContact O-N 2.97Å
87	C	34.1	Very low	33.8	Very low	29 Å²	29	70 Å²	70	20%	0.196	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-40.5	178.1	-68	0	0	0	0	112.5	H89 A91 L480 V483	C87-H89 VanDerWaalsContact C-N 3.33Å; C87-A91 PolarHBondContact O-N 2.94Å; C87-L480 HydrophobicContact CB-CD2 4.42Å; C87-V483 HydrophobicContact CB-CG2 4.33Å
88	R	37.3	Very low	35	Very low	151 Å²	151	65.9 Å²	65.9	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-40.3	174.6	-171.7	-178.9	72.4	163.2	0	111.8	E84 C86 L92	E84-R88 WeakPolarHBondContact O-CB 3.4Å; E84-R88 PolarHBondContact O-N 2.98Å; C86-R88 PolarHBondContact O-N 2.96Å; R88-L92 HydrophobicContact CG-CD1 4.4Å
89	H	37.3	Very low	36.3	Very low	32 Å²	32	58.3 Å²	58.3	15%	0.148	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-50.2	178.9	-164.4	82.9	0	0	0	110.7	E85 C86 C87 A91 L92 C93 D111 T117	E85-H89 WeakPolarHBondContact O-CB 3.38Å; E85-H89 PolarHBondContact O-N 2.96Å; C86-H89 WeakPolarHBondContact O-CB 3.47Å; C86-H89 PolarHBondContact O-N 3.3Å; C86-H89 VanDerWaalsContact O-N 3.16Å; C87-H89 VanDerWaalsContact C-N 3.33Å; H89-A91 VanDerWaalsContact C-N 3.29Å; H89-A91 PolarHBondContact O-N 3.37Å; H89-L92 PolarHBondContact O-N 3.03Å; H89-C93 PolarHBondContact CD2-SG 2.92Å; H89-C93 PolarHBondContact O-N 3.39Å; H89-C93 PolarHBondContact O-SG 3.01Å; H89-D111 IonicContact CE1-OD2 3.71Å; H89-D111 PolarHBondContact CE1-OD2 3.44Å; H89-D111 IonicContact ND1-OD2 3.42Å; H89-D111 IonicContact NE2-OD2 3.81Å; H89-T117 PolarHBondContact NE2-OG1 2.76Å; H89-T117 VanDerWaalsContact NE2-OG1 3.14Å
90	I	34.8	Very low	37.3	Very low	44 Å²	44	60.6 Å²	60.6	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-52.3	-44.4	179.4	-67.1	170.1	0	0	0	112.3	C86 L92 C93 L109 Y119	C86-I90 WeakPolarHBondContact O-CG1 3.48Å; C86-I90 PolarHBondContact O-N 2.97Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 3.27Å; I90-C93 PolarHBondContact O-N 2.91Å; I90-L109 HydrophobicContact CB-CD1 3.72Å; I90-L109 HydrophobicContact CG1-CD1 3.55Å; I90-L109 HydrophobicContact CG2-CD1 3.59Å; I90-Y119 HydrophobicContact CD1-CE1 4.37Å; I90-Y119 HydrophobicContact CD1-CE2 4.48Å; I90-Y119 HydrophobicContact CG1-CE1 4.42Å; I90-Y119 HydrophobicContact CG1-CE2 3.93Å
91	A	33	Very low	38.6	Very low	45 Å²	45	55 Å²	55	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-70.6	-17.5	-177.7	0	0	0	0	0	114.8	C87 H89	C87-A91 PolarHBondContact O-N 2.94Å; H89-A91 VanDerWaalsContact C-N 3.29Å; H89-A91 PolarHBondContact O-N 3.37Å
92	L	31.9	Very low	39.6	Very low	115 Å²	115	54.7 Å²	54.7	60%	0.602	30%	0.295	S	S	*	.	H	α-helix	trans	-100.5	-6.1	177.3	-66	173.2	0	0	0	112.5	R88 H89 I90	R88-L92 HydrophobicContact CG-CD1 4.4Å; H89-L92 PolarHBondContact O-N 3.03Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 3.27Å
93	C	36.9	Very low	40.6	Very low	20 Å²	20	54.9 Å²	54.9	14%	0.135	29%	0.292	C	S	.	.	S	Bend	trans	-93	147.8	-178.4	-65.3	0	0	0	0	112.7	H89 I90 L109 Y110 D111	H89-C93 PolarHBondContact CD2-SG 2.92Å; H89-C93 PolarHBondContact O-N 3.39Å; H89-C93 PolarHBondContact O-SG 3.01Å; I90-C93 PolarHBondContact O-N 2.91Å; C93-L109 HydrophobicContact CB-CB 3.56Å; C93-L109 HydrophobicContact CB-CD1 4.17Å; C93-L109 HydrophobicContact CB-CG 4.31Å; C93-Y110 CarbonylContact C-O 3.5Å; C93-Y110 VanDerWaalsContact CA-O 3.31Å; C93-Y110 WeakPolarHBondContact CA-O 3.09Å; C93-D111 WeakPolarHBondContact SG-CB 3.26Å
94	V	41.5	Very low	41.4	Very low	56 Å²	56	53.1 Å²	53.1	34%	0.339	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.1	166.2	179.4	0	0	0	0	108.8	G96 L109 Y110	V94-G96 PolarHBondContact O-N 3.43Å; V94-L109 CarbonylContact O-C 3.51Å; V94-L109 WeakPolarHBondContact O-CA 3.05Å; V94-Y110 HydrophobicContact CB-CD1 4.42Å; V94-Y110 WeakPolarHBondContact CB-O 3.37Å; V94-Y110 PolarHBondContact N-O 3.01Å; V94-Y110 PolarHBondContact O-N 3.03Å
95	L	39.3	Very low	42.3	Very low	36 Å²	36	46.1 Å²	46.1	19%	0.188	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	118.3	170.6	-178.9	69.2	0	0	0	109.8	I107 T108 L109 F439 F506	L95-I107 HydrophobicContact CD1-CB 4.04Å; L95-I107 HydrophobicContact CD1-CG2 4.33Å; L95-T108 WeakPolarHBondContact CD1-O 3.39Å; L95-L109 HydrophobicContact CB-CD2 4.05Å; L95-L109 HydrophobicContact CD1-CD2 3.59Å; L95-L109 HydrophobicContact CG-CD2 4.43Å; L95-F439 HydrophobicContact CD2-CE2 4.19Å; L95-F439 HydrophobicContact CD2-CZ 3.84Å; L95-F506 HydrophobicContact CD2-CD1 3.75Å; L95-F506 HydrophobicContact CD2-CD2 4.29Å; L95-F506 HydrophobicContact CD2-CE1 3.38Å; L95-F506 HydrophobicContact CD2-CE2 4.05Å; L95-F506 HydrophobicContact CD2-CG 4.18Å; L95-F506 HydrophobicContact CD2-CZ 3.57Å; L95-F506 HydrophobicContact CG-CD1 4.22Å; L95-F506 HydrophobicContact CG-CD2 4.42Å; L95-F506 HydrophobicContact CG-CE1 4.31Å; L95-F506 HydrophobicContact CG-CG 4.26Å; L95-F506 WeakPolarHBondContact O-CB 3.39Å
96	G	44.3	Very low	43.2	Very low	8 Å²	8	40 Å²	40	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-39.3	178.6	0	0	0	0	0	113.5	V94 T108 F506	V94-G96 PolarHBondContact O-N 3.43Å; G96-T108 VanDerWaalsContact C-OG1 3.28Å; G96-T108 WeakPolarHBondContact CA-OG1 3.27Å; G96-T108 PolarHBondContact N-O 2.72Å; G96-F506 CarbonylContact O-C 3.55Å; G96-F506 WeakPolarHBondContact O-CA 3.39Å; G96-F506 WeakPolarHBondContact O-CB 3.46Å; G96-F506 PolarHBondContact O-N 3.45Å
97	S	44.6	Very low	44.1	Very low	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	152.9	-179.9	169.4	0	0	0	0	109.3	I107 T108 I146 C504	S97-I107 CarbonylContact O-C 3.3Å; S97-I107 WeakPolarHBondContact O-CA 3.46Å; S97-T108 PolarHBondContact N-OG1 3.5Å; S97-T108 PolarHBondContact O-N 3.05Å; S97-I146 WeakPolarHBondContact OG-CD1 3.41Å; S97-I146 WeakPolarHBondContact OG-CG1 2.96Å; S97-C504 PolarHBondContact OG-O 2.97Å
98	C	46.3	Very low	45	Very low	9 Å²	9	39 Å²	39	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140	167.5	74.4	0	0	0	0	111.3	L105 L106 I107 C504 F506	C98-L105 HydrophobicContact CB-CD1 4.29Å; C98-L106 CarbonylContact C-O 3.56Å; C98-L106 WeakPolarHBondContact CA-O 3.05Å; C98-L106 WeakPolarHBondContact CB-O 3.34Å; C98-I107 HydrophobicContact CB-CB 4.49Å; C98-I107 HydrophobicContact CB-CG2 3.8Å; C98-C504 PolarHBondContact N-O 3.39Å; C98-C504 CarbonylContact O-C 3.43Å; C98-C504 WeakPolarHBondContact O-CA 3.26Å; C98-C504 WeakPolarHBondContact O-CB 3.46Å; C98-C504 PolarHBondContact O-N 2.98Å; C98-C504 PolarHBondContact O-SG 3.46Å; C98-F506 HydrophobicContact CB-CE2 4.19Å; C98-F506 WeakPolarHBondContact SG-CE2 3.49Å
99	I	47.6	Very low	45.8	Very low	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.6	174.8	-60.5	-171.2	0	0	0	109.1	L101 L106 I146 I148 I503	I99-L101 HydrophobicContact CG2-CD2 4.27Å; I99-L101 PolarHBondContact O-N 2.78Å; I99-L106 PolarHBondContact N-O 3.26Å; I99-L106 PolarHBondContact O-N 2.8Å; I99-I146 HydrophobicContact CD1-CB 3.58Å; I99-I146 HydrophobicContact CD1-CG2 3.42Å; I99-I146 VanDerWaalsContact CD1-CG2 3.42Å; I99-I146 HydrophobicContact CG1-CB 4.15Å; I99-I146 HydrophobicContact CG1-CD1 4.28Å; I99-I146 HydrophobicContact CG1-CG2 4.25Å; I99-I148 HydrophobicContact CD1-CD1 4.08Å; I99-I148 HydrophobicContact CD1-CG1 4.16Å; I99-I148 HydrophobicContact CG2-CD1 3.8Å; I99-I503 HydrophobicContact CD1-CB 4.31Å; I99-I503 HydrophobicContact CD1-CG1 4.26Å; I99-I503 HydrophobicContact CD1-CG2 4.07Å
100	L	44.9	Very low	46.6	Very low	73 Å²	73	32.4 Å²	32.4	38%	0.382	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.7	167.6	-176	66.4	0	0	0	109.6	L123	L100-L123 HydrophobicContact CD1-CD1 3.22Å
101	L	51.1	Low	47.6	Very low	15 Å²	15	30.5 Å²	30.5	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	154.3	160.7	-51.8	171.6	0	0	0	107.5	I99 D103 S104 L106 I148 I160 I187	I99-L101 HydrophobicContact CG2-CD2 4.27Å; I99-L101 PolarHBondContact O-N 2.78Å; L101-D103 VanDerWaalsContact C-N 3.35Å; L101-D103 PolarHBondContact O-N 2.71Å; L101-S104 CarbonylContact C-O 3.59Å; L101-S104 VanDerWaalsContact CA-O 3.25Å; L101-S104 WeakPolarHBondContact CA-O 3.25Å; L101-S104 VanDerWaalsContact CB-O 3.26Å; L101-S104 WeakPolarHBondContact CB-O 3.26Å; L101-S104 WeakPolarHBondContact CB-OG 3.26Å; L101-S104 PolarHBondContact N-O 3.47Å; L101-S104 CarbonylContact O-C 3.48Å; L101-S104 PolarHBondContact O-N 2.66Å; L101-L106 HydrophobicContact CD1-CB 4.5Å; L101-I148 HydrophobicContact CD2-CD1 3.54Å; L101-I160 HydrophobicContact CD1-CD1 4.26Å; L101-I187 HydrophobicContact CB-CD1 4.43Å; L101-I187 HydrophobicContact CD1-CD1 3.95Å
102	S	52.1	Low	48.5	Very low	61 Å²	61	31.7 Å²	31.7	43%	0.427	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-32.8	-61.3	-170.4	46.1	0	0	0	0	115.3
103	D	51.1	Low	49.8	Very low	114 Å²	114	31.7 Å²	31.7	61%	0.61	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	16.1	-179.3	-53.3	-39.5	0	0	0	112	L101 S122 L123	L101-D103 VanDerWaalsContact C-N 3.35Å; L101-D103 PolarHBondContact O-N 2.71Å; D103-S122 CarbonylContact O-C 3.48Å; D103-S122 WeakPolarHBondContact O-CA 3.33Å; D103-L123 PolarHBondContact O-N 3.5Å
104	S	52.3	Low	50.8	Low	2 Å²	2	34.2 Å²	34.2	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.4	179.9	63.3	0	0	0	0	114.1	L101 I121	L101-S104 CarbonylContact C-O 3.59Å; L101-S104 VanDerWaalsContact CA-O 3.25Å; L101-S104 WeakPolarHBondContact CA-O 3.25Å; L101-S104 VanDerWaalsContact CB-O 3.26Å; L101-S104 WeakPolarHBondContact CB-O 3.26Å; L101-S104 WeakPolarHBondContact CB-OG 3.26Å; L101-S104 PolarHBondContact N-O 3.47Å; L101-S104 CarbonylContact O-C 3.48Å; L101-S104 PolarHBondContact O-N 2.66Å; S104-I121 CarbonylContact C-O 3.38Å; S104-I121 VanDerWaalsContact C-O 3.3Å; S104-I121 WeakPolarHBondContact CA-O 3.37Å; S104-I121 VanDerWaalsContact CB-O 3.26Å; S104-I121 WeakPolarHBondContact CB-O 3.34Å
105	L	54.5	Low	51.8	Low	22 Å²	22	33.4 Å²	33.4	12%	0.115	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.7	171	-175	71.9	0	0	0	109.4	C98 I107 S120 I121 L123 L489	C98-L105 HydrophobicContact CB-CD1 4.29Å; L105-I107 HydrophobicContact CD2-CG2 3.55Å; L105-I107 HydrophobicContact CG-CG2 3.7Å; L105-S120 CarbonylContact O-C 3.54Å; L105-S120 WeakPolarHBondContact O-CA 3.21Å; L105-I121 HydrophobicContact CB-CB 4.42Å; L105-I121 PolarHBondContact N-O 2.69Å; L105-I121 PolarHBondContact O-N 2.82Å; L105-L123 HydrophobicContact CB-CD1 4.24Å; L105-L123 HydrophobicContact CB-CD2 4.25Å; L105-L123 HydrophobicContact CB-CG 4.29Å; L105-L489 HydrophobicContact CD2-CD1 4.43Å
106	L	55.9	Low	52.8	Low	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.7	162.8	-168.1	77.7	0	0	0	109.1	C98 I99 L101 Y119 I146 I160 I185	C98-L106 CarbonylContact C-O 3.56Å; C98-L106 WeakPolarHBondContact CA-O 3.05Å; C98-L106 WeakPolarHBondContact CB-O 3.34Å; I99-L106 PolarHBondContact N-O 3.26Å; I99-L106 PolarHBondContact O-N 2.8Å; L101-L106 HydrophobicContact CD1-CB 4.5Å; L106-Y119 CarbonylContact C-O 3.54Å; L106-Y119 VanDerWaalsContact CA-O 3.27Å; L106-Y119 WeakPolarHBondContact CA-O 3.31Å; L106-Y119 WeakPolarHBondContact CD1-O 3.45Å; L106-I146 HydrophobicContact CD2-CD1 3.44Å; L106-I146 VanDerWaalsContact CD2-CD1 3.44Å; L106-I146 HydrophobicContact CD2-CG1 4.2Å; L106-I146 HydrophobicContact CD2-CG2 3.74Å; L106-I146 HydrophobicContact CG-CD1 3.92Å; L106-I160 HydrophobicContact CD1-CD1 4.45Å; L106-I160 HydrophobicContact CD2-CD1 3.55Å; L106-I160 HydrophobicContact CD2-CG2 3.85Å; L106-I185 HydrophobicContact CD1-CD1 3.39Å; L106-I185 HydrophobicContact CD2-CD1 4.4Å
107	I	54.8	Low	53.5	Low	16 Å²	16	31.3 Å²	31.3	8%	0.082	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.9	172.9	60.3	170.9	0	0	0	109.5	L95 S97 C98 L105 L109 L118 Y119 I121	L95-I107 HydrophobicContact CD1-CB 4.04Å; L95-I107 HydrophobicContact CD1-CG2 4.33Å; S97-I107 CarbonylContact O-C 3.3Å; S97-I107 WeakPolarHBondContact O-CA 3.46Å; C98-I107 HydrophobicContact CB-CB 4.49Å; C98-I107 HydrophobicContact CB-CG2 3.8Å; L105-I107 HydrophobicContact CD2-CG2 3.55Å; L105-I107 HydrophobicContact CG-CG2 3.7Å; I107-L109 HydrophobicContact CD1-CD1 4.2Å; I107-L109 HydrophobicContact CD1-CD2 4.39Å; I107-L109 HydrophobicContact CD1-CG 4.17Å; I107-L118 CarbonylContact O-C 3.54Å; I107-L118 VanDerWaalsContact O-CA 3.31Å; I107-L118 WeakPolarHBondContact O-CA 3.31Å; I107-Y119 HydrophobicContact CD1-CD2 3.83Å; I107-Y119 HydrophobicContact CD1-CG 4.24Å; I107-Y119 HydrophobicContact CG1-CD2 3.84Å; I107-Y119 HydrophobicContact CG1-CG 4.15Å; I107-Y119 PolarHBondContact N-O 2.75Å; I107-Y119 PolarHBondContact O-N 2.74Å; I107-I121 HydrophobicContact CD1-CD1 3.6Å; I107-I121 HydrophobicContact CG1-CD1 4.05Å
108	T	54.6	Low	54.3	Low	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.8	167	72.7	0	0	0	0	108.9	L95 G96 S97 T117 L118 L144 I146	L95-T108 WeakPolarHBondContact CD1-O 3.39Å; G96-T108 VanDerWaalsContact C-OG1 3.28Å; G96-T108 WeakPolarHBondContact CA-OG1 3.27Å; G96-T108 PolarHBondContact N-O 2.72Å; S97-T108 PolarHBondContact N-OG1 3.5Å; S97-T108 PolarHBondContact O-N 3.05Å; T108-T117 CarbonylContact C-O 3.4Å; T108-T117 WeakPolarHBondContact CA-O 3.18Å; T108-L118 HydrophobicContact CG2-CD1 3.26Å; T108-L118 HydrophobicContact CG2-CG 3.68Å; T108-L144 HydrophobicContact CG2-CD2 4.21Å; T108-L144 WeakPolarHBondContact OG1-CD2 3.38Å; T108-I146 HydrophobicContact CG2-CD1 3.32Å; T108-I146 HydrophobicContact CG2-CG1 3.48Å; T108-I146 VanDerWaalsContact CG2-CG1 3.48Å
109	L	53.8	Low	55	Low	9 Å²	9	31 Å²	31	5%	0.047	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.5	-175.9	-68	-165	0	0	0	108.9	I90 C93 V94 L95 I107 L116 T117 Y119	I90-L109 HydrophobicContact CB-CD1 3.72Å; I90-L109 HydrophobicContact CG1-CD1 3.55Å; I90-L109 HydrophobicContact CG2-CD1 3.59Å; C93-L109 HydrophobicContact CB-CB 3.56Å; C93-L109 HydrophobicContact CB-CD1 4.17Å; C93-L109 HydrophobicContact CB-CG 4.31Å; V94-L109 CarbonylContact O-C 3.51Å; V94-L109 WeakPolarHBondContact O-CA 3.05Å; L95-L109 HydrophobicContact CB-CD2 4.05Å; L95-L109 HydrophobicContact CD1-CD2 3.59Å; L95-L109 HydrophobicContact CG-CD2 4.43Å; I107-L109 HydrophobicContact CD1-CD1 4.2Å; I107-L109 HydrophobicContact CD1-CD2 4.39Å; I107-L109 HydrophobicContact CD1-CG 4.17Å; L109-L116 CarbonylContact O-C 3.38Å; L109-L116 WeakPolarHBondContact O-CA 3.29Å; L109-T117 PolarHBondContact N-O 3.45Å; L109-T117 PolarHBondContact O-N 2.67Å; L109-Y119 HydrophobicContact CB-CD2 4.45Å; L109-Y119 HydrophobicContact CB-CE2 3.95Å; L109-Y119 HydrophobicContact CD1-CD2 3.93Å; L109-Y119 HydrophobicContact CD1-CE2 3.43Å; L109-Y119 VanDerWaalsContact CD1-CE2 3.43Å; L109-Y119 HydrophobicContact CG-CD2 3.97Å; L109-Y119 HydrophobicContact CG-CE2 3.76Å
110	Y	53.9	Low	55.6	Low	34 Å²	34	30.9 Å²	30.9	13%	0.133	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.5	-178.7	173.9	-111.3	0	0	0	110.8	C93 V94 H114 M115 I138 S139 V141	C93-Y110 CarbonylContact C-O 3.5Å; C93-Y110 VanDerWaalsContact CA-O 3.31Å; C93-Y110 WeakPolarHBondContact CA-O 3.09Å; V94-Y110 HydrophobicContact CB-CD1 4.42Å; V94-Y110 WeakPolarHBondContact CB-O 3.37Å; V94-Y110 PolarHBondContact N-O 3.01Å; V94-Y110 PolarHBondContact O-N 3.03Å; Y110-H114 HydrophobicContact CE2-CB 4.38Å; Y110-H114 PolarHBondContact OH-ND1 2.81Å; Y110-M115 CarbonylContact C-O 3.3Å; Y110-M115 WeakPolarHBondContact CA-O 3.49Å; Y110-I138 HydrophobicContact CD2-CD1 3.58Å; Y110-I138 HydrophobicContact CD2-CG1 4.31Å; Y110-I138 HydrophobicContact CE2-CD1 3.45Å; Y110-I138 VanDerWaalsContact CE2-CD1 3.45Å; Y110-I138 HydrophobicContact CE2-CG1 3.97Å; Y110-S139 PolarHBondContact OH-O 3.32Å; Y110-V141 HydrophobicContact CD2-CG2 3.78Å; Y110-V141 HydrophobicContact CE1-CG2 4.43Å; Y110-V141 HydrophobicContact CE2-CG2 3.53Å; Y110-V141 HydrophobicContact CG-CG2 4.28Å
111	D	55.2	Low	56	Low	5 Å²	5	28.5 Å²	28.5	3%	0.027	16%	0.156	C	C	.	.			trans	-92.1	170.5	-176.9	90.8	-12.2	0	0	0	113.4	H89 C93 N113 H114 M115	H89-D111 IonicContact CE1-OD2 3.71Å; H89-D111 PolarHBondContact CE1-OD2 3.44Å; H89-D111 IonicContact ND1-OD2 3.42Å; H89-D111 IonicContact NE2-OD2 3.81Å; C93-D111 WeakPolarHBondContact SG-CB 3.26Å; D111-N113 PolarHBondContact O-N 2.76Å; D111-N113 VanDerWaalsContact OD1-C 3.32Å; D111-N113 VanDerWaalsContact OD1-CA 3.25Å; D111-N113 WeakPolarHBondContact OD1-CA 3.49Å; D111-N113 WeakPolarHBondContact OD1-CB 3.4Å; D111-N113 PolarHBondContact OD1-N 3.31Å; D111-N113 WeakPolarHBondContact OD2-CB 3.27Å; D111-N113 PolarHBondContact OD2-ND2 3.2Å; D111-H114 PolarHBondContact O-N 3.29Å; D111-H114 PolarHBondContact OD1-N 2.71Å; D111-M115 PolarHBondContact N-O 2.77Å; D111-M115 WeakPolarHBondContact OD1-CA 3.34Å; D111-M115 VanDerWaalsContact OD1-CB 3.28Å; D111-M115 WeakPolarHBondContact OD1-CB 3.37Å; D111-M115 PolarHBondContact OD1-N 2.76Å
112	S	51.8	Low	56.2	Low	69 Å²	69	28.2 Å²	28.2	48%	0.483	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.6	176.6	56.8	0	0	0	0	114.7	H114	S112-H114 VanDerWaalsContact C-N 3.27Å
113	N	59.6	Low	55.9	Low	115 Å²	115	27.2 Å²	27.2	62%	0.615	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	11.1	178.8	-53.9	-48.4	0	0	0	112.4	D111 M115	D111-N113 PolarHBondContact O-N 2.76Å; D111-N113 VanDerWaalsContact OD1-C 3.32Å; D111-N113 VanDerWaalsContact OD1-CA 3.25Å; D111-N113 WeakPolarHBondContact OD1-CA 3.49Å; D111-N113 WeakPolarHBondContact OD1-CB 3.4Å; D111-N113 PolarHBondContact OD1-N 3.31Å; D111-N113 WeakPolarHBondContact OD2-CB 3.27Å; D111-N113 PolarHBondContact OD2-ND2 3.2Å; N113-M115 VanDerWaalsContact C-N 3.31Å; N113-M115 HydrophobicContact CB-CG 4.36Å
114	H	58.4	Low	55.7	Low	73 Å²	73	25.1 Å²	25.1	34%	0.338	14%	0.139	S	C	.	.	S	Bend	trans	62.6	36.3	-173	-50.7	-92.1	0	0	0	113.4	Y110 D111 S112 I138 S139	Y110-H114 HydrophobicContact CE2-CB 4.38Å; Y110-H114 PolarHBondContact OH-ND1 2.81Å; D111-H114 PolarHBondContact O-N 3.29Å; D111-H114 PolarHBondContact OD1-N 2.71Å; S112-H114 VanDerWaalsContact C-N 3.27Å; H114-I138 WeakPolarHBondContact CB-O 3.1Å; H114-I138 WeakPolarHBondContact O-CG1 3.33Å; H114-I138 PolarHBondContact O-N 2.73Å; H114-S139 PolarHBondContact ND1-O 3.02Å
115	M	62.3	Low	55.3	Low	39 Å²	39	32.2 Å²	32.2	19%	0.192	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.6	171.3	-63.3	-62.4	-56.5	0	0	109.9	Y110 D111 N113 K135 L136 S137	Y110-M115 CarbonylContact C-O 3.3Å; Y110-M115 WeakPolarHBondContact CA-O 3.49Å; D111-M115 PolarHBondContact N-O 2.77Å; D111-M115 WeakPolarHBondContact OD1-CA 3.34Å; D111-M115 VanDerWaalsContact OD1-CB 3.28Å; D111-M115 WeakPolarHBondContact OD1-CB 3.37Å; D111-M115 PolarHBondContact OD1-N 2.76Å; N113-M115 VanDerWaalsContact C-N 3.31Å; N113-M115 HydrophobicContact CB-CG 4.36Å; M115-K135 HydrophobicContact CE-CB 3.71Å; M115-L136 WeakPolarHBondContact CA-O 3.46Å; M115-S137 PolarHBondContact SD-OG 3.02Å
116	L	59.6	Low	54.4	Low	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.9	164	-175.7	76.3	0	0	0	110.2	L109 L118 K135 L136 I138 L144 V162	L109-L116 CarbonylContact O-C 3.38Å; L109-L116 WeakPolarHBondContact O-CA 3.29Å; L116-L118 HydrophobicContact CD2-CD1 3.97Å; L116-L118 HydrophobicContact CG-CD1 4.4Å; L116-K135 CarbonylContact O-C 3.24Å; L116-K135 VanDerWaalsContact O-CA 3.31Å; L116-K135 WeakPolarHBondContact O-CA 3.33Å; L116-L136 HydrophobicContact CB-CB 4.36Å; L116-L136 HydrophobicContact CD2-CD1 4.16Å; L116-L136 PolarHBondContact N-O 2.96Å; L116-L136 PolarHBondContact O-N 3.06Å; L116-I138 HydrophobicContact CB-CD1 3.72Å; L116-I138 HydrophobicContact CB-CG1 4.03Å; L116-L144 HydrophobicContact CD1-CD1 3.99Å; L116-L144 HydrophobicContact CD1-CD2 3.25Å; L116-L144 HydrophobicContact CD1-CG 4.23Å; L116-L144 HydrophobicContact CD2-CD1 3.31Å; L116-L144 HydrophobicContact CD2-CD2 4.02Å; L116-L144 HydrophobicContact CD2-CG 4.27Å; L116-L144 HydrophobicContact CG-CD1 4.26Å; L116-L144 HydrophobicContact CG-CD2 4.23Å; L116-V162 HydrophobicContact CD2-CG1 4.06Å
117	T	58.8	Low	53.6	Low	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112	179.4	-52.2	0	0	0	0	110.2	H89 T108 L109 Y119 E133 K134 K135	H89-T117 PolarHBondContact NE2-OG1 2.76Å; H89-T117 VanDerWaalsContact NE2-OG1 3.14Å; T108-T117 CarbonylContact C-O 3.4Å; T108-T117 WeakPolarHBondContact CA-O 3.18Å; L109-T117 PolarHBondContact N-O 3.45Å; L109-T117 PolarHBondContact O-N 2.67Å; T117-Y119 HydrophobicContact CG2-CD1 4.29Å; T117-Y119 HydrophobicContact CG2-CD2 4.01Å; T117-Y119 HydrophobicContact CG2-CE1 3.73Å; T117-Y119 HydrophobicContact CG2-CE2 3.35Å; T117-Y119 HydrophobicContact CG2-CG 4.46Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.23Å; T117-E133 HydrophobicContact CG2-CG 3.66Å; T117-E133 WeakPolarHBondContact CG2-OE1 3.3Å; T117-K134 CarbonylContact C-O 3.45Å; T117-K134 WeakPolarHBondContact CA-O 3.37Å; T117-K135 HydrophobicContact CG2-CG 3.79Å
118	L	61.5	Low	53.1	Low	1 Å²	1	47 Å²	47	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.7	166.5	-101.2	68.4	0	0	0	109.7	I107 T108 L116 W132 E133 K134 V162 F183	I107-L118 CarbonylContact O-C 3.54Å; I107-L118 VanDerWaalsContact O-CA 3.31Å; I107-L118 WeakPolarHBondContact O-CA 3.31Å; T108-L118 HydrophobicContact CG2-CD1 3.26Å; T108-L118 HydrophobicContact CG2-CG 3.68Å; L116-L118 HydrophobicContact CD2-CD1 3.97Å; L116-L118 HydrophobicContact CG-CD1 4.4Å; L118-W132 HydrophobicContact CB-CZ3 3.75Å; L118-W132 HydrophobicContact CD2-CH2 4.38Å; L118-W132 HydrophobicContact CD2-CZ3 3.93Å; L118-W132 HydrophobicContact CG-CZ3 4.47Å; L118-E133 CarbonylContact O-C 3.53Å; L118-E133 VanDerWaalsContact O-CA 3.23Å; L118-E133 WeakPolarHBondContact O-CA 3.46Å; L118-K134 HydrophobicContact CB-CB 4.34Å; L118-K134 PolarHBondContact N-O 2.86Å; L118-K134 PolarHBondContact O-N 2.78Å; L118-V162 HydrophobicContact CD1-CG1 4.49Å; L118-V162 HydrophobicContact CD1-CG2 3.84Å; L118-V162 HydrophobicContact CD2-CG2 3.55Å; L118-V162 HydrophobicContact CG-CG2 4.3Å; L118-F183 HydrophobicContact CD2-CD2 3.94Å; L118-F183 HydrophobicContact CD2-CE2 4.12Å
119	Y	61.5	Low	52.7	Low	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.8	168.9	-55.6	-87.6	0	0	0	110.2	I90 L106 I107 L109 T117 L130 W132 E133	I90-Y119 HydrophobicContact CD1-CE1 4.37Å; I90-Y119 HydrophobicContact CD1-CE2 4.48Å; I90-Y119 HydrophobicContact CG1-CE1 4.42Å; I90-Y119 HydrophobicContact CG1-CE2 3.93Å; L106-Y119 CarbonylContact C-O 3.54Å; L106-Y119 VanDerWaalsContact CA-O 3.27Å; L106-Y119 WeakPolarHBondContact CA-O 3.31Å; L106-Y119 WeakPolarHBondContact CD1-O 3.45Å; I107-Y119 HydrophobicContact CD1-CD2 3.83Å; I107-Y119 HydrophobicContact CD1-CG 4.24Å; I107-Y119 HydrophobicContact CG1-CD2 3.84Å; I107-Y119 HydrophobicContact CG1-CG 4.15Å; I107-Y119 PolarHBondContact N-O 2.75Å; I107-Y119 PolarHBondContact O-N 2.74Å; L109-Y119 HydrophobicContact CB-CD2 4.45Å; L109-Y119 HydrophobicContact CB-CE2 3.95Å; L109-Y119 HydrophobicContact CD1-CD2 3.93Å; L109-Y119 HydrophobicContact CD1-CE2 3.43Å; L109-Y119 VanDerWaalsContact CD1-CE2 3.43Å; L109-Y119 HydrophobicContact CG-CD2 3.97Å; L109-Y119 HydrophobicContact CG-CE2 3.76Å; T117-Y119 HydrophobicContact CG2-CD1 4.29Å; T117-Y119 HydrophobicContact CG2-CD2 4.01Å; T117-Y119 HydrophobicContact CG2-CE1 3.73Å; T117-Y119 HydrophobicContact CG2-CE2 3.35Å; T117-Y119 HydrophobicContact CG2-CG 4.46Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.23Å; Y119-L130 HydrophobicContact CD1-CD1 3.49Å; Y119-L130 VanDerWaalsContact CD1-CD1 3.49Å; Y119-L130 HydrophobicContact CD1-CD2 4.13Å; Y119-L130 HydrophobicContact CD1-CG 4.48Å; Y119-L130 HydrophobicContact CE1-CD2 4.5Å; Y119-L130 HydrophobicContact CG-CD1 4.03Å; Y119-W132 CarbonylContact C-O 3.36Å; Y119-W132 VanDerWaalsContact CA-O 3.31Å; Y119-W132 WeakPolarHBondContact CA-O 3.42Å; Y119-E133 HydrophobicContact CD1-CB 4.12Å; Y119-E133 HydrophobicContact CD1-CG 3.81Å; Y119-E133 HydrophobicContact CE1-CB 4.4Å; Y119-E133 HydrophobicContact CE1-CG 3.69Å; Y119-E133 WeakPolarHBondContact CE1-OE1 3.33Å
120	S	60.5	Low	52.6	Low	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.6	161.9	-178.4	0	0	0	0	108.4	L105 L130 L131 W132	L105-S120 CarbonylContact O-C 3.54Å; L105-S120 WeakPolarHBondContact O-CA 3.21Å; S120-L130 WeakPolarHBondContact O-CD1 3.11Å; S120-L131 WeakPolarHBondContact O-CB 3.08Å; S120-L131 PolarHBondContact O-N 2.66Å; S120-W132 PolarHBondContact N-O 2.99Å; S120-W132 PolarHBondContact O-N 3.42Å
121	I	53.5	Low	52.7	Low	22 Å²	22	55.7 Å²	55.7	11%	0.113	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.5	-172.9	-60.7	173.1	0	0	0	107.8	S104 L105 I107 R129 L130 F478	S104-I121 CarbonylContact C-O 3.38Å; S104-I121 VanDerWaalsContact C-O 3.3Å; S104-I121 WeakPolarHBondContact CA-O 3.37Å; S104-I121 VanDerWaalsContact CB-O 3.26Å; S104-I121 WeakPolarHBondContact CB-O 3.34Å; L105-I121 HydrophobicContact CB-CB 4.42Å; L105-I121 PolarHBondContact N-O 2.69Å; L105-I121 PolarHBondContact O-N 2.82Å; I107-I121 HydrophobicContact CD1-CD1 3.6Å; I107-I121 HydrophobicContact CG1-CD1 4.05Å; I121-R129 CarbonylContact C-O 3.57Å; I121-R129 VanDerWaalsContact CA-O 3.29Å; I121-R129 WeakPolarHBondContact CA-O 3.49Å; I121-L130 HydrophobicContact CG1-CD1 4.15Å; I121-F478 HydrophobicContact CG2-CZ 3.8Å
122	S	54.7	Low	52.8	Low	9 Å²	9	58.2 Å²	58.2	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.5	171.6	74.6	0	0	0	0	110.8	D103 S128 R129	D103-S122 CarbonylContact O-C 3.48Å; D103-S122 WeakPolarHBondContact O-CA 3.33Å; S122-S128 WeakPolarHBondContact O-CA 3.31Å; S122-S128 WeakPolarHBondContact O-CB 2.77Å; S122-S128 PolarHBondContact O-OG 3.49Å; S122-R129 PolarHBondContact N-O 2.76Å; S122-R129 PolarHBondContact O-N 3.41Å; S122-R129 WeakPolarHBondContact OG-CB 3.44Å; S122-R129 PolarHBondContact OG-N 3.21Å
123	L	46.3	Very low	53.4	Low	40 Å²	40	56.9 Å²	56.9	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	66.4	171.7	-60.1	176.9	0	0	0	108.1	L100 D103 L105	L100-L123 HydrophobicContact CD1-CD1 3.22Å; D103-L123 PolarHBondContact O-N 3.5Å; L105-L123 HydrophobicContact CB-CD1 4.24Å; L105-L123 HydrophobicContact CB-CD2 4.25Å; L105-L123 HydrophobicContact CB-CG 4.29Å
124	C	46.6	Very low	53.6	Low	71 Å²	71	55.6 Å²	55.6	48%	0.48	26%	0.261	S	S	.	.			trans	-80.7	144.4	172.8	-54.9	0	0	0	0	109.6	Y126 E127	C124-Y126 PolarHBondContact O-N 2.72Å; C124-E127 WeakPolarHBondContact CB-O 3.35Å; C124-E127 PolarHBondContact O-N 3.1Å
125	N	43.3	Very low	53.8	Low	150 Å²	150	56.2 Å²	56.2	80%	0.802	26%	0.262	S	S	*	.	S	Bend	trans	-48.5	-20.1	-171.4	-69.4	-16.9	0	0	0	116.7
126	Y	35.7	Very low	53.6	Low	221 Å²	221	55.5 Å²	55.5	87%	0.867	26%	0.259	S	S	*	.	S	Bend	trans	-129.1	-20.7	-176.4	-57.9	-73.5	0	0	0	114.7	C124	C124-Y126 PolarHBondContact O-N 2.72Å
127	E	40.4	Very low	53.9	Low	113 Å²	113	60.3 Å²	60.3	53%	0.528	29%	0.293	S	S	.	.			trans	-150.4	117.5	179.9	-71.1	-174.6	167.2	0	0	109.4	C124 R129	C124-E127 WeakPolarHBondContact CB-O 3.35Å; C124-E127 PolarHBondContact O-N 3.1Å; E127-R129 IonicContact OE2-CZ 3.66Å; E127-R129 IonicContact OE2-NE 3.54Å; E127-R129 IonicContact OE2-NH2 2.88Å; E127-R129 PolarHBondContact OE2-NH2 2.69Å
128	S	42.3	Very low	53.8	Low	14 Å²	14	61.2 Å²	61.2	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.4	169.4	-64.8	0	0	0	0	109.4	S122 F478	S122-S128 WeakPolarHBondContact O-CA 3.31Å; S122-S128 WeakPolarHBondContact O-CB 2.77Å; S122-S128 PolarHBondContact O-OG 3.49Å; S128-F478 VanDerWaalsContact O-CE1 3.27Å; S128-F478 WeakPolarHBondContact O-CE1 3.33Å
129	R	47.2	Very low	53.5	Low	141 Å²	141	62.3 Å²	62.3	53%	0.532	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.4	-175.3	-62.5	-177.5	176.9	-178.3	-1.4	111.2	I121 S122 E127 L131	I121-R129 CarbonylContact C-O 3.57Å; I121-R129 VanDerWaalsContact CA-O 3.29Å; I121-R129 WeakPolarHBondContact CA-O 3.49Å; S122-R129 PolarHBondContact N-O 2.76Å; S122-R129 PolarHBondContact O-N 3.41Å; S122-R129 WeakPolarHBondContact OG-CB 3.44Å; S122-R129 PolarHBondContact OG-N 3.21Å; E127-R129 IonicContact OE2-CZ 3.66Å; E127-R129 IonicContact OE2-NE 3.54Å; E127-R129 IonicContact OE2-NH2 2.88Å; E127-R129 PolarHBondContact OE2-NH2 2.69Å; R129-L131 PolarHBondContact O-N 3.19Å
130	L	50.6	Low	53	Low	34 Å²	34	66.5 Å²	66.5	18%	0.178	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	116	170.5	-176.9	67.8	0	0	0	109.4	I79 P81 Y119 S120 I121 E133	I79-L130 HydrophobicContact CB-CD2 4.36Å; P81-L130 HydrophobicContact CB-CB 4.5Å; Y119-L130 HydrophobicContact CD1-CD1 3.49Å; Y119-L130 VanDerWaalsContact CD1-CD1 3.49Å; Y119-L130 HydrophobicContact CD1-CD2 4.13Å; Y119-L130 HydrophobicContact CD1-CG 4.48Å; Y119-L130 HydrophobicContact CE1-CD2 4.5Å; Y119-L130 HydrophobicContact CG-CD1 4.03Å; S120-L130 WeakPolarHBondContact O-CD1 3.11Å; I121-L130 HydrophobicContact CG1-CD1 4.15Å; L130-E133 HydrophobicContact CD2-CB 4.42Å
131	L	56	Low	52.4	Low	51 Å²	51	68 Å²	68	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-36.8	179.6	-64	177.5	0	0	0	112.2	S120 R129	S120-L131 WeakPolarHBondContact O-CB 3.08Å; S120-L131 PolarHBondContact O-N 2.66Å; R129-L131 PolarHBondContact O-N 3.19Å
132	W	59.1	Low	51.8	Low	58 Å²	58	69.5 Å²	69.5	22%	0.22	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	145.5	-172.5	-176.9	83.2	0	0	0	111.4	L118 Y119 S120 K134 F183 I185	L118-W132 HydrophobicContact CB-CZ3 3.75Å; L118-W132 HydrophobicContact CD2-CH2 4.38Å; L118-W132 HydrophobicContact CD2-CZ3 3.93Å; L118-W132 HydrophobicContact CG-CZ3 4.47Å; Y119-W132 CarbonylContact C-O 3.36Å; Y119-W132 VanDerWaalsContact CA-O 3.31Å; Y119-W132 WeakPolarHBondContact CA-O 3.42Å; S120-W132 PolarHBondContact N-O 2.99Å; S120-W132 PolarHBondContact O-N 3.42Å; W132-K134 HydrophobicContact CE3-CB 4.43Å; W132-K134 HydrophobicContact CH2-CB 3.23Å; W132-K134 HydrophobicContact CH2-CG 3.97Å; W132-K134 HydrophobicContact CZ2-CB 3.55Å; W132-K134 HydrophobicContact CZ2-CD 4.49Å; W132-K134 HydrophobicContact CZ2-CG 4.18Å; W132-K134 HydrophobicContact CZ3-CB 3.72Å; W132-F183 HydrophobicContact CH2-CB 4.05Å; W132-F183 AromaticContact CH2-CD1 3.85Å; W132-F183 HydrophobicContact CH2-CD1 3.85Å; W132-F183 AromaticContact CH2-CG 3.89Å; W132-F183 HydrophobicContact CH2-CG 3.89Å; W132-F183 HydrophobicContact CZ2-CD1 4.23Å; W132-I185 HydrophobicContact CB-CG2 4.28Å; W132-I185 HydrophobicContact CD2-CD1 4.4Å; W132-I185 HydrophobicContact CD2-CG1 4.39Å; W132-I185 HydrophobicContact CD2-CG2 4.46Å; W132-I185 HydrophobicContact CE3-CD1 3.69Å; W132-I185 HydrophobicContact CE3-CG1 4.13Å; W132-I185 HydrophobicContact CG-CG2 4.37Å; W132-I185 HydrophobicContact CH2-CD1 4.3Å; W132-I185 HydrophobicContact CH2-CG1 4.32Å; W132-I185 HydrophobicContact CZ3-CD1 3.63Å; W132-I185 HydrophobicContact CZ3-CG1 4.08Å
133	E	62.8	Low	51.1	Low	42 Å²	42	70.3 Å²	70.3	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.2	175.9	-177.1	-174.8	-161.6	0	0	110.7	I79 T117 L118 Y119 L130 K135	I79-E133 WeakPolarHBondContact CD1-OE2 3.48Å; T117-E133 HydrophobicContact CG2-CG 3.66Å; T117-E133 WeakPolarHBondContact CG2-OE1 3.3Å; L118-E133 CarbonylContact O-C 3.53Å; L118-E133 VanDerWaalsContact O-CA 3.23Å; L118-E133 WeakPolarHBondContact O-CA 3.46Å; Y119-E133 HydrophobicContact CD1-CB 4.12Å; Y119-E133 HydrophobicContact CD1-CG 3.81Å; Y119-E133 HydrophobicContact CE1-CB 4.4Å; Y119-E133 HydrophobicContact CE1-CG 3.69Å; Y119-E133 WeakPolarHBondContact CE1-OE1 3.33Å; L130-E133 HydrophobicContact CD2-CB 4.42Å; E133-K135 WeakPolarHBondContact OE1-CE 2.93Å; E133-K135 IonicContact OE1-NZ 3.63Å; E133-K135 PolarHBondContact OE1-NZ 2.83Å
134	K	64.3	Low	50.8	Low	88 Å²	88	68.6 Å²	68.6	38%	0.383	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	123.7	169.6	-175.8	68.2	174.7	-176.6	0	111.8	T117 L118 W132 L136 F183	T117-K134 CarbonylContact C-O 3.45Å; T117-K134 WeakPolarHBondContact CA-O 3.37Å; L118-K134 HydrophobicContact CB-CB 4.34Å; L118-K134 PolarHBondContact N-O 2.86Å; L118-K134 PolarHBondContact O-N 2.78Å; W132-K134 HydrophobicContact CE3-CB 4.43Å; W132-K134 HydrophobicContact CH2-CB 3.23Å; W132-K134 HydrophobicContact CH2-CG 3.97Å; W132-K134 HydrophobicContact CZ2-CB 3.55Å; W132-K134 HydrophobicContact CZ2-CD 4.49Å; W132-K134 HydrophobicContact CZ2-CG 4.18Å; W132-K134 HydrophobicContact CZ3-CB 3.72Å; K134-L136 HydrophobicContact CG-CD2 4.47Å; K134-F183 HydrophobicContact CD-CE1 4.4Å; K134-F183 HydrophobicContact CG-CD1 4.29Å; K134-F183 HydrophobicContact CG-CE1 3.71Å; K134-F183 HydrophobicContact CG-CZ 4.23Å
135	K	63.5	Low	50.7	Low	86 Å²	86	65.9 Å²	65.9	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.3	174.2	-59.7	-175.2	-175.8	177.3	0	110.8	M115 L116 T117 E133	M115-K135 HydrophobicContact CE-CB 3.71Å; L116-K135 CarbonylContact O-C 3.24Å; L116-K135 VanDerWaalsContact O-CA 3.31Å; L116-K135 WeakPolarHBondContact O-CA 3.33Å; T117-K135 HydrophobicContact CG2-CG 3.79Å; E133-K135 WeakPolarHBondContact OE1-CE 2.93Å; E133-K135 IonicContact OE1-NZ 3.63Å; E133-K135 PolarHBondContact OE1-NZ 2.83Å
136	L	58.2	Low	50.9	Low	24 Å²	24	58.7 Å²	58.7	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.8	173.1	-57.8	174.5	0	0	0	108	M115 L116 K134 I138 F181 F183	M115-L136 WeakPolarHBondContact CA-O 3.46Å; L116-L136 HydrophobicContact CB-CB 4.36Å; L116-L136 HydrophobicContact CD2-CD1 4.16Å; L116-L136 PolarHBondContact N-O 2.96Å; L116-L136 PolarHBondContact O-N 3.06Å; K134-L136 HydrophobicContact CG-CD2 4.47Å; L136-I138 HydrophobicContact CB-CG2 4.07Å; L136-I138 PolarHBondContact O-N 3.09Å; L136-F181 HydrophobicContact CD1-CB 4.5Å; L136-F181 HydrophobicContact CD1-CD1 4.33Å; L136-F181 HydrophobicContact CD1-CD2 3.98Å; L136-F181 HydrophobicContact CD1-CE2 4.26Å; L136-F181 HydrophobicContact CD1-CG 4.01Å; L136-F183 HydrophobicContact CD1-CE2 4.45Å; L136-F183 HydrophobicContact CD1-CZ 3.88Å; L136-F183 HydrophobicContact CD2-CZ 4.17Å; L136-F183 HydrophobicContact CG-CZ 4.4Å
137	S	64.9	Low	51.2	Low	101 Å²	101	50.2 Å²	50.2	71%	0.706	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.1	165	-56.8	0	0	0	0	108.3	M115	M115-S137 PolarHBondContact SD-OG 3.02Å
138	I	56.4	Low	51.4	Low	19 Å²	19	47 Å²	47	10%	0.097	24%	0.235	C	C	.	.			trans	-133.3	175.7	-176	49.7	153.1	0	0	0	108.6	Y110 H114 L116 L136 V141 L164 E166	Y110-I138 HydrophobicContact CD2-CD1 3.58Å; Y110-I138 HydrophobicContact CD2-CG1 4.31Å; Y110-I138 HydrophobicContact CE2-CD1 3.45Å; Y110-I138 VanDerWaalsContact CE2-CD1 3.45Å; Y110-I138 HydrophobicContact CE2-CG1 3.97Å; H114-I138 WeakPolarHBondContact CB-O 3.1Å; H114-I138 WeakPolarHBondContact O-CG1 3.33Å; H114-I138 PolarHBondContact O-N 2.73Å; L116-I138 HydrophobicContact CB-CD1 3.72Å; L116-I138 HydrophobicContact CB-CG1 4.03Å; L136-I138 HydrophobicContact CB-CG2 4.07Å; L136-I138 PolarHBondContact O-N 3.09Å; I138-V141 HydrophobicContact CD1-CG2 3.03Å; I138-V141 HydrophobicContact CG1-CG2 4.35Å; I138-L164 HydrophobicContact CB-CD2 3.97Å; I138-L164 HydrophobicContact CD1-CD1 4.06Å; I138-L164 HydrophobicContact CG2-CD2 3.39Å; I138-E166 WeakPolarHBondContact CA-OE1 3.07Å
139	S	54.8	Low	51.3	Low	24 Å²	24	48.2 Å²	48.2	17%	0.168	24%	0.243	C	C	.	.	S	Bend	trans	-101.7	-150.5	176.7	61.6	0	0	0	0	110.7	Y110 H114 V141 E166	Y110-S139 PolarHBondContact OH-O 3.32Å; H114-S139 PolarHBondContact ND1-O 3.02Å; S139-V141 PolarHBondContact O-N 2.79Å; S139-E166 PolarHBondContact N-OE1 2.84Å; S139-E166 WeakPolarHBondContact OG-CB 3.47Å; S139-E166 VanDerWaalsContact OG-CD 3.29Å; S139-E166 PolarHBondContact OG-OE1 2.87Å
140	E	52.2	Low	50.8	Low	89 Å²	89	48 Å²	48	42%	0.416	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	106.4	177.1	-170	179.8	-167.3	0	0	109.6	T142 K167	E140-T142 PolarHBondContact O-N 2.77Å; E140-K167 PolarHBondContact O-N 2.74Å
141	V	46.7	Very low	50.5	Low	32 Å²	32	50.1 Å²	50.1	19%	0.194	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	123.8	174.9	-171.1	0	0	0	0	109.7	Y110 I138 S139 L143 L144 L164	Y110-V141 HydrophobicContact CD2-CG2 3.78Å; Y110-V141 HydrophobicContact CE1-CG2 4.43Å; Y110-V141 HydrophobicContact CE2-CG2 3.53Å; Y110-V141 HydrophobicContact CG-CG2 4.28Å; I138-V141 HydrophobicContact CD1-CG2 3.03Å; I138-V141 HydrophobicContact CG1-CG2 4.35Å; S139-V141 PolarHBondContact O-N 2.79Å; V141-L143 WeakPolarHBondContact CG1-O 3.05Å; V141-L144 HydrophobicContact CG1-CB 4.03Å; V141-L164 HydrophobicContact CB-CD1 4.49Å; V141-L164 HydrophobicContact CG1-CD1 3.88Å; V141-L164 HydrophobicContact CG2-CD1 3.97Å
142	T	41.1	Very low	49.5	Very low	53 Å²	53	48.1 Å²	48.1	33%	0.325	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-28.1	166.2	54.4	0	0	0	0	111.8	E140 A165 K167 L176	E140-T142 PolarHBondContact O-N 2.77Å; T142-A165 PolarHBondContact N-O 3.46Å; T142-A165 WeakPolarHBondContact OG1-CB 3.28Å; T142-A165 PolarHBondContact OG1-O 3.14Å; T142-K167 HydrophobicContact CG2-CB 3.78Å; T142-L176 HydrophobicContact CG2-CD1 4.47Å; T142-L176 VanDerWaalsContact OG1-CD1 3.31Å; T142-L176 WeakPolarHBondContact OG1-CD1 3.31Å
143	L	39.7	Very low	48.6	Very low	26 Å²	26	48.5 Å²	48.5	14%	0.136	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.4	175.2	-179.8	128.9	0	0	0	110.9	V141 L163 L164 A165 Y507 V516	V141-L143 WeakPolarHBondContact CG1-O 3.05Å; L143-L163 HydrophobicContact CD2-CD2 4.02Å; L143-L163 HydrophobicContact CD2-CG 3.97Å; L143-L164 CarbonylContact O-C 3.55Å; L143-L164 WeakPolarHBondContact O-CA 3.38Å; L143-A165 HydrophobicContact CB-CB 3.43Å; L143-A165 VanDerWaalsContact CB-CB 3.43Å; L143-A165 HydrophobicContact CD2-CB 4.27Å; L143-A165 HydrophobicContact CG-CB 4.42Å; L143-A165 PolarHBondContact N-O 2.69Å; L143-A165 VanDerWaalsContact N-O 3.1Å; L143-A165 PolarHBondContact O-N 3.42Å; L143-Y507 HydrophobicContact CB-CE1 4.08Å; L143-Y507 HydrophobicContact CD1-CE1 4.04Å; L143-Y507 WeakPolarHBondContact CD1-OH 3.33Å; L143-Y507 HydrophobicContact CG-CE1 3.73Å; L143-Y507 WeakPolarHBondContact CG-OH 3.47Å; L143-V516 HydrophobicContact CD1-CG1 4.42Å
144	L	41.4	Very low	47.6	Very low	4 Å²	4	53.6 Å²	53.6	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	123.6	168.6	-175.5	82.4	0	0	0	110.5	T108 L116 V141 V162 L163 L164 T505	T108-L144 HydrophobicContact CG2-CD2 4.21Å; T108-L144 WeakPolarHBondContact OG1-CD2 3.38Å; L116-L144 HydrophobicContact CD1-CD1 3.99Å; L116-L144 HydrophobicContact CD1-CD2 3.25Å; L116-L144 HydrophobicContact CD1-CG 4.23Å; L116-L144 HydrophobicContact CD2-CD1 3.31Å; L116-L144 HydrophobicContact CD2-CD2 4.02Å; L116-L144 HydrophobicContact CD2-CG 4.27Å; L116-L144 HydrophobicContact CG-CD1 4.26Å; L116-L144 HydrophobicContact CG-CD2 4.23Å; V141-L144 HydrophobicContact CG1-CB 4.03Å; L144-V162 HydrophobicContact CD1-CG1 3.5Å; L144-V162 VanDerWaalsContact CD1-CG1 3.5Å; L144-V162 HydrophobicContact CG-CG1 4.32Å; L144-L163 CarbonylContact C-O 3.48Å; L144-L163 VanDerWaalsContact CA-O 3.31Å; L144-L163 WeakPolarHBondContact CA-O 3.33Å; L144-L164 HydrophobicContact CB-CD1 4.49Å; L144-L164 HydrophobicContact CD1-CB 4.36Å; L144-L164 HydrophobicContact CD1-CD1 3.52Å; L144-T505 WeakPolarHBondContact O-CG2 3.33Å
145	E	44.4	Very low	46.7	Very low	13 Å²	13	56.4 Å²	56.4	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.7	179.8	177.2	173.6	-167.9	0	0	110.8	I147 V162 L163 T505 H519	E145-I147 HydrophobicContact CG-CG1 4.27Å; E145-V162 CarbonylContact O-C 3.47Å; E145-V162 WeakPolarHBondContact O-CA 3.2Å; E145-L163 HydrophobicContact CB-CB 4.34Å; E145-L163 PolarHBondContact N-O 3.16Å; E145-L163 PolarHBondContact O-N 3.04Å; E145-T505 HydrophobicContact CB-CG2 4.05Å; E145-T505 HydrophobicContact CG-CG2 4.34Å; E145-H519 IonicContact OE2-CD2 3.72Å
146	I	46.4	Very low	46.2	Very low	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126	166.3	-60.9	167.2	0	0	0	109.2	S97 I99 L106 T108 I160 G161 V162	S97-I146 WeakPolarHBondContact OG-CD1 3.41Å; S97-I146 WeakPolarHBondContact OG-CG1 2.96Å; I99-I146 HydrophobicContact CD1-CB 3.58Å; I99-I146 HydrophobicContact CD1-CG2 3.42Å; I99-I146 VanDerWaalsContact CD1-CG2 3.42Å; I99-I146 HydrophobicContact CG1-CB 4.15Å; I99-I146 HydrophobicContact CG1-CD1 4.28Å; I99-I146 HydrophobicContact CG1-CG2 4.25Å; L106-I146 HydrophobicContact CD2-CD1 3.44Å; L106-I146 VanDerWaalsContact CD2-CD1 3.44Å; L106-I146 HydrophobicContact CD2-CG1 4.2Å; L106-I146 HydrophobicContact CD2-CG2 3.74Å; L106-I146 HydrophobicContact CG-CD1 3.92Å; T108-I146 HydrophobicContact CG2-CD1 3.32Å; T108-I146 HydrophobicContact CG2-CG1 3.48Å; T108-I146 VanDerWaalsContact CG2-CG1 3.48Å; I146-I160 HydrophobicContact CG2-CG2 3.16Å; I146-G161 CarbonylContact C-O 3.42Å; I146-G161 WeakPolarHBondContact CA-O 3.34Å; I146-V162 HydrophobicContact CG1-CG2 4.44Å
147	I	43.5	Very low	46	Very low	43 Å²	43	59.6 Å²	59.6	22%	0.221	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.9	175.5	-57.2	180	0	0	0	108.7	E145 I160 G161 L163 L180	E145-I147 HydrophobicContact CG-CG1 4.27Å; I147-I160 CarbonylContact O-C 3.52Å; I147-I160 WeakPolarHBondContact O-CA 3.33Å; I147-G161 PolarHBondContact N-O 2.64Å; I147-G161 PolarHBondContact O-N 3.21Å; I147-L163 HydrophobicContact CD1-CB 3.98Å; I147-L180 HydrophobicContact CD1-CD1 3.87Å
148	I	44.9	Very low	45.4	Very low	44 Å²	44	55.1 Å²	55.1	23%	0.226	32%	0.32	C	S	.	.			trans	-110.3	113.7	166.1	-58.9	177.8	0	0	0	107.1	I99 L101 S152 V158	I99-I148 HydrophobicContact CD1-CD1 4.08Å; I99-I148 HydrophobicContact CD1-CG1 4.16Å; I99-I148 HydrophobicContact CG2-CD1 3.8Å; L101-I148 HydrophobicContact CD2-CD1 3.54Å; I148-S152 VanDerWaalsContact CG2-OG 3.31Å; I148-S152 WeakPolarHBondContact CG2-OG 3.3Å; I148-V158 HydrophobicContact CG2-CG1 4.22Å
149	P	40.1	Very low	45.2	Very low	40 Å²	40	57.7 Å²	57.7	26%	0.26	33%	0.331	S	S	.	.			trans	-60.2	140.4	175.7	-19.2	31.9	0	0	0	110.4	G151 S152 H159 M182	P149-G151 PolarHBondContact O-N 2.78Å; P149-S152 PolarHBondContact O-OG 2.8Å; P149-H159 WeakPolarHBondContact CD-O 3.38Å; P149-H159 HydrophobicContact CG-CB 4.45Å; P149-M182 HydrophobicContact CG-CE 3.62Å
150	P	36.6	Very low	44.9	Very low	137 Å²	137	56.6 Å²	56.6	89%	0.89	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	133.8	170.4	22.8	-30	0	0	0	110.1
151	G	42.7	Very low	44.7	Very low	78 Å²	78	52.3 Å²	52.3	80%	0.804	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.4	3.3	176.8	0	0	0	0	0	116.6	P149	P149-G151 PolarHBondContact O-N 2.78Å
152	S	36	Very low	44.7	Very low	10 Å²	10	50.8 Å²	50.8	7%	0.07	29%	0.294	C	S	.	.			trans	-93.5	0.1	-179.3	57.5	0	0	0	0	115.6	I148 P149 D154 V158	I148-S152 VanDerWaalsContact CG2-OG 3.31Å; I148-S152 WeakPolarHBondContact CG2-OG 3.3Å; P149-S152 PolarHBondContact O-OG 2.8Å; S152-D154 VanDerWaalsContact C-N 3.34Å; S152-D154 PolarHBondContact O-N 2.74Å; S152-V158 WeakPolarHBondContact O-CG2 3.35Å
153	S	40.5	Very low	44.8	Very low	65 Å²	65	50 Å²	50	46%	0.455	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.1	-166.9	61	0	0	0	0	116.2
154	D	41.2	Very low	45.1	Very low	149 Å²	149	48.8 Å²	48.8	80%	0.797	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	20	-164.8	-59.4	0.4	0	0	0	113.1	S152	S152-D154 VanDerWaalsContact C-N 3.34Å; S152-D154 PolarHBondContact O-N 2.74Å
155	K	46.7	Very low	45.2	Very low	147 Å²	147	48.8 Å²	48.8	64%	0.639	28%	0.282	S	S	*	.	S	Bend	trans	-123.6	153.7	-179.9	-66.2	-173	179.3	-178.2	0	111.4	T157	K155-T157 PolarHBondContact O-N 2.77Å
156	E	52.9	Low	45.1	Very low	136 Å²	136	48.9 Å²	48.9	64%	0.636	28%	0.282	S	S	*	.	S	Bend	trans	-51	-17.6	172.4	-66.5	176.2	164.2	0	0	113.1	P186 I187 V188	E156-P186 CarbonylContact O-C 3.49Å; E156-P186 VanDerWaalsContact O-CA 3.32Å; E156-P186 WeakPolarHBondContact O-CA 3.42Å; E156-I187 PolarHBondContact O-N 2.93Å; E156-V188 PolarHBondContact O-N 2.97Å
157	T	53.8	Low	45	Very low	41 Å²	41	53.2 Å²	53.2	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.4	176.1	49.1	0	0	0	0	111.5	K155 I185 P186	K155-T157 PolarHBondContact O-N 2.77Å; T157-I185 CarbonylContact C-O 3.49Å; T157-I185 WeakPolarHBondContact CA-O 3.37Å; T157-P186 HydrophobicContact CG2-CB 4.29Å
158	V	52	Low	44.8	Very low	8 Å²	8	55.3 Å²	55.3	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.2	168.7	166.6	0	0	0	0	109.9	I148 S152 I160 I185 I187	I148-V158 HydrophobicContact CG2-CG1 4.22Å; S152-V158 WeakPolarHBondContact O-CG2 3.35Å; V158-I160 HydrophobicContact CG1-CD1 4.01Å; V158-I160 HydrophobicContact CG1-CG1 3.67Å; V158-I185 PolarHBondContact N-O 2.81Å; V158-I185 PolarHBondContact O-N 3.1Å; V158-I187 HydrophobicContact CB-CD1 3.57Å; V158-I187 HydrophobicContact CB-CG1 3.93Å; V158-I187 HydrophobicContact CG1-CD1 4.46Å; V158-I187 HydrophobicContact CG2-CD1 3.07Å; V158-I187 HydrophobicContact CG2-CG1 3.75Å
159	H	51.8	Low	44.7	Very low	73 Å²	73	56.3 Å²	56.3	34%	0.338	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.9	170.5	-58.4	-63.5	0	0	0	110.3	P149 F183 S184	P149-H159 WeakPolarHBondContact CD-O 3.38Å; P149-H159 HydrophobicContact CG-CB 4.45Å; H159-F183 CarbonylContact C-O 3.42Å; H159-F183 VanDerWaalsContact CA-O 3.28Å; H159-F183 WeakPolarHBondContact CA-O 3.45Å; H159-S184 PolarHBondContact CE1-OG 2.78Å; H159-S184 PolarHBondContact ND1-OG 3.06Å
160	I	49.3	Very low	44.8	Very low	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118.2	-174.2	-56.3	-165.9	0	0	0	108.6	L101 L106 I146 I147 V158 M182 F183 I185	L101-I160 HydrophobicContact CD1-CD1 4.26Å; L106-I160 HydrophobicContact CD1-CD1 4.45Å; L106-I160 HydrophobicContact CD2-CD1 3.55Å; L106-I160 HydrophobicContact CD2-CG2 3.85Å; I146-I160 HydrophobicContact CG2-CG2 3.16Å; I147-I160 CarbonylContact O-C 3.52Å; I147-I160 WeakPolarHBondContact O-CA 3.33Å; V158-I160 HydrophobicContact CG1-CD1 4.01Å; V158-I160 HydrophobicContact CG1-CG1 3.67Å; I160-M182 CarbonylContact O-C 3.47Å; I160-M182 WeakPolarHBondContact O-CA 3.48Å; I160-F183 PolarHBondContact N-O 3.26Å; I160-F183 PolarHBondContact O-N 2.9Å; I160-I185 HydrophobicContact CD1-CB 4.47Å; I160-I185 HydrophobicContact CD1-CD1 3.43Å; I160-I185 VanDerWaalsContact CD1-CD1 3.43Å; I160-I185 HydrophobicContact CD1-CG1 3.97Å; I160-I185 HydrophobicContact CG1-CD1 4.23Å; I160-I185 HydrophobicContact CG1-CG1 4.34Å
161	G	46.6	Very low	44.9	Very low	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	149.1	165	0	0	0	0	0	111.6	I146 I147 F181 M182	I146-G161 CarbonylContact C-O 3.42Å; I146-G161 WeakPolarHBondContact CA-O 3.34Å; I147-G161 PolarHBondContact N-O 2.64Å; I147-G161 PolarHBondContact O-N 3.21Å; G161-F181 CarbonylContact C-O 3.38Å; G161-F181 VanDerWaalsContact C-O 3.3Å; G161-F181 VanDerWaalsContact CA-O 3.25Å; G161-F181 WeakPolarHBondContact CA-O 3.43Å; G161-M182 WeakPolarHBondContact CA-SD 3.43Å
162	V	46.8	Very low	44.6	Very low	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	105	165.9	177.6	0	0	0	0	106.6	L116 L118 L144 E145 I146 L180 F181 F183	L116-V162 HydrophobicContact CD2-CG1 4.06Å; L118-V162 HydrophobicContact CD1-CG1 4.49Å; L118-V162 HydrophobicContact CD1-CG2 3.84Å; L118-V162 HydrophobicContact CD2-CG2 3.55Å; L118-V162 HydrophobicContact CG-CG2 4.3Å; L144-V162 HydrophobicContact CD1-CG1 3.5Å; L144-V162 VanDerWaalsContact CD1-CG1 3.5Å; L144-V162 HydrophobicContact CG-CG1 4.32Å; E145-V162 CarbonylContact O-C 3.47Å; E145-V162 WeakPolarHBondContact O-CA 3.2Å; I146-V162 HydrophobicContact CG1-CG2 4.44Å; V162-L180 CarbonylContact O-C 3.38Å; V162-L180 WeakPolarHBondContact O-CA 3.44Å; V162-F181 HydrophobicContact CB-CB 4.28Å; V162-F181 PolarHBondContact N-O 3.42Å; V162-F181 PolarHBondContact O-N 2.79Å; V162-F183 HydrophobicContact CB-CE2 3.99Å; V162-F183 HydrophobicContact CG2-CD2 3.82Å; V162-F183 HydrophobicContact CG2-CE2 3.56Å
163	L	42.9	Very low	44.4	Very low	37 Å²	37	71.6 Å²	71.6	19%	0.194	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.5	173.7	-178.2	66.6	0	0	0	108.8	L143 L144 E145 I147 S179 L180	L143-L163 HydrophobicContact CD2-CD2 4.02Å; L143-L163 HydrophobicContact CD2-CG 3.97Å; L144-L163 CarbonylContact C-O 3.48Å; L144-L163 VanDerWaalsContact CA-O 3.31Å; L144-L163 WeakPolarHBondContact CA-O 3.33Å; E145-L163 HydrophobicContact CB-CB 4.34Å; E145-L163 PolarHBondContact N-O 3.16Å; E145-L163 PolarHBondContact O-N 3.04Å; I147-L163 HydrophobicContact CD1-CB 3.98Å; L163-S179 CarbonylContact C-O 3.3Å; L163-S179 WeakPolarHBondContact CA-O 3.34Å; L163-L180 HydrophobicContact CB-CD1 4.1Å; L163-L180 HydrophobicContact CD1-CB 4.21Å
164	L	46.7	Very low	44	Very low	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.6	-179.4	-179.3	77.4	0	0	0	108.3	I138 V141 L143 L144 E166 L178 S179 F181	I138-L164 HydrophobicContact CB-CD2 3.97Å; I138-L164 HydrophobicContact CD1-CD1 4.06Å; I138-L164 HydrophobicContact CG2-CD2 3.39Å; V141-L164 HydrophobicContact CB-CD1 4.49Å; V141-L164 HydrophobicContact CG1-CD1 3.88Å; V141-L164 HydrophobicContact CG2-CD1 3.97Å; L143-L164 CarbonylContact O-C 3.55Å; L143-L164 WeakPolarHBondContact O-CA 3.38Å; L144-L164 HydrophobicContact CB-CD1 4.49Å; L144-L164 HydrophobicContact CD1-CB 4.36Å; L144-L164 HydrophobicContact CD1-CD1 3.52Å; L164-E166 VanDerWaalsContact CD2-CD 3.47Å; L164-E166 HydrophobicContact CD2-CG 3.37Å; L164-E166 HydrophobicContact CG-CG 3.67Å; L164-L178 CarbonylContact O-C 3.38Å; L164-L178 WeakPolarHBondContact O-CA 3.36Å; L164-S179 PolarHBondContact N-O 3Å; L164-S179 PolarHBondContact O-N 3.19Å; L164-F181 HydrophobicContact CB-CD2 4.47Å; L164-F181 HydrophobicContact CB-CE2 4.08Å; L164-F181 HydrophobicContact CD2-CE2 3.87Å
165	A	43.5	Very low	43.5	Very low	3 Å²	3	70 Å²	70	3%	0.025	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.5	161.8	0	0	0	0	0	109.7	T142 L143 L176 L177 L178	T142-A165 PolarHBondContact N-O 3.46Å; T142-A165 WeakPolarHBondContact OG1-CB 3.28Å; T142-A165 PolarHBondContact OG1-O 3.14Å; L143-A165 HydrophobicContact CB-CB 3.43Å; L143-A165 VanDerWaalsContact CB-CB 3.43Å; L143-A165 HydrophobicContact CD2-CB 4.27Å; L143-A165 HydrophobicContact CG-CB 4.42Å; L143-A165 PolarHBondContact N-O 2.69Å; L143-A165 VanDerWaalsContact N-O 3.1Å; L143-A165 PolarHBondContact O-N 3.42Å; A165-L176 HydrophobicContact CB-CD1 4.21Å; A165-L176 HydrophobicContact CB-CD2 3.91Å; A165-L176 HydrophobicContact CB-CG 4.01Å; A165-L177 CarbonylContact C-O 3.45Å; A165-L177 VanDerWaalsContact CA-O 3.3Å; A165-L177 WeakPolarHBondContact CA-O 3.42Å; A165-L178 HydrophobicContact CB-CD2 3.45Å; A165-L178 VanDerWaalsContact CB-CD2 3.45Å; A165-L178 HydrophobicContact CB-CG 4.43Å
166	E	43.1	Very low	43	Very low	16 Å²	16	67.5 Å²	67.5	8%	0.075	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	140.2	177.5	-64.4	-172.6	108.2	0	0	110	I138 S139 L164 L176 L177	I138-E166 WeakPolarHBondContact CA-OE1 3.07Å; S139-E166 PolarHBondContact N-OE1 2.84Å; S139-E166 WeakPolarHBondContact OG-CB 3.47Å; S139-E166 VanDerWaalsContact OG-CD 3.29Å; S139-E166 PolarHBondContact OG-OE1 2.87Å; L164-E166 VanDerWaalsContact CD2-CD 3.47Å; L164-E166 HydrophobicContact CD2-CG 3.37Å; L164-E166 HydrophobicContact CG-CG 3.67Å; E166-L176 CarbonylContact O-C 3.44Å; E166-L176 WeakPolarHBondContact O-CA 3.27Å; E166-L177 HydrophobicContact CB-CB 4.3Å; E166-L177 PolarHBondContact N-O 3.01Å; E166-L177 PolarHBondContact O-N 3.04Å
167	K	43.1	Very low	42.2	Very low	90 Å²	90	64.3 Å²	64.3	39%	0.391	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111	167.5	-172.6	-175.9	176.3	-164.8	0	109.3	E140 T142 P174	E140-K167 PolarHBondContact O-N 2.74Å; T142-K167 HydrophobicContact CG2-CB 3.78Å; K167-P174 HydrophobicContact CG-CB 4.3Å
168	H	40.6	Very low	41.3	Very low	88 Å²	88	66 Å²	66	41%	0.407	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.9	169	-89.2	-51.1	0	0	0	112.6	V175	H168-V175 PolarHBondContact N-O 3.03Å; H168-V175 PolarHBondContact O-N 2.78Å
169	S	42.1	Very low	40.8	Very low	64 Å²	64	66.6 Å²	66.6	45%	0.448	36%	0.357	S	S	.	.			trans	102.9	117.3	164.6	-167	0	0	0	0	116.9
170	P	41.2	Very low	40.3	Very low	131 Å²	131	66.8 Å²	66.8	85%	0.851	36%	0.36	S	S	*	.	S	Bend	trans	-85.2	3.2	-179.5	31.1	-33.1	0	0	0	115.7
171	K	39.7	Very low	40.4	Very low	182 Å²	182	69.6 Å²	69.6	79%	0.791	37%	0.373	S	S	*	.	S	Bend	trans	-132.2	-35.7	-173	-73.6	-168.1	176.6	-178.9	0	120.8
172	N	36	Very low	40.4	Very low	151 Å²	151	72.9 Å²	72.9	81%	0.807	39%	0.389	S	S	*	.	S	Bend	trans	-137.1	-22.6	-171	-74.2	-29.9	0	0	0	117.7
173	L	31.5	Very low	40.9	Very low	123 Å²	123	74.1 Å²	74.1	64%	0.644	39%	0.394	S	S	*	.			trans	-153.2	129.2	168.8	-83.5	109.9	0	0	0	108.4	V175	L173-V175 PolarHBondContact O-N 3.02Å; L173-V175 VanDerWaalsContact O-N 3.13Å
174	P	33	Very low	41.6	Very low	96 Å²	96	74.8 Å²	74.8	62%	0.623	40%	0.402	S	S	*	.			trans	-67.5	110.5	170.1	28.8	-31.5	0	0	0	108.4	K167	K167-P174 HydrophobicContact CG-CB 4.3Å
175	V	30.9	Very low	42	Very low	84 Å²	84	74.8 Å²	74.8	51%	0.509	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.2	168.1	179.4	0	0	0	0	106.6	H168 L173	H168-V175 PolarHBondContact N-O 3.03Å; H168-V175 PolarHBondContact O-N 2.78Å; L173-V175 PolarHBondContact O-N 3.02Å; L173-V175 VanDerWaalsContact O-N 3.13Å
176	L	34.8	Very low	42.4	Very low	95 Å²	95	76 Å²	76	50%	0.497	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.3	168.2	-161.3	100.3	0	0	0	107.6	T142 A165 E166 L178	T142-L176 HydrophobicContact CG2-CD1 4.47Å; T142-L176 VanDerWaalsContact OG1-CD1 3.31Å; T142-L176 WeakPolarHBondContact OG1-CD1 3.31Å; A165-L176 HydrophobicContact CB-CD1 4.21Å; A165-L176 HydrophobicContact CB-CD2 3.91Å; A165-L176 HydrophobicContact CB-CG 4.01Å; E166-L176 CarbonylContact O-C 3.44Å; E166-L176 WeakPolarHBondContact O-CA 3.27Å; L176-L178 HydrophobicContact CD2-CD2 4.19Å; L176-L178 HydrophobicContact CD2-CG 4.14Å
177	L	36.3	Very low	42.7	Very low	68 Å²	68	77.2 Å²	77.2	36%	0.356	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.5	172.9	178.6	70.5	0	0	0	108.4	A165 E166	A165-L177 CarbonylContact C-O 3.45Å; A165-L177 VanDerWaalsContact CA-O 3.3Å; A165-L177 WeakPolarHBondContact CA-O 3.42Å; E166-L177 HydrophobicContact CB-CB 4.3Å; E166-L177 PolarHBondContact N-O 3.01Å; E166-L177 PolarHBondContact O-N 3.04Å
178	L	35.5	Very low	42.5	Very low	78 Å²	78	76.9 Å²	76.9	41%	0.408	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.2	171.1	-70.1	165.2	0	0	0	109.3	L164 A165 L176	L164-L178 CarbonylContact O-C 3.38Å; L164-L178 WeakPolarHBondContact O-CA 3.36Å; A165-L178 HydrophobicContact CB-CD2 3.45Å; A165-L178 VanDerWaalsContact CB-CD2 3.45Å; A165-L178 HydrophobicContact CB-CG 4.43Å; L176-L178 HydrophobicContact CD2-CD2 4.19Å; L176-L178 HydrophobicContact CD2-CG 4.14Å
179	S	41.1	Very low	42.1	Very low	20 Å²	20	78.6 Å²	78.6	14%	0.14	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.5	-178.6	-64	0	0	0	0	109.4	L163 L164	L163-S179 CarbonylContact C-O 3.3Å; L163-S179 WeakPolarHBondContact CA-O 3.34Å; L164-S179 PolarHBondContact N-O 3Å; L164-S179 PolarHBondContact O-N 3.19Å
180	L	42.1	Very low	41.3	Very low	76 Å²	76	79.4 Å²	79.4	40%	0.398	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.9	173.6	178.2	63.8	0	0	0	109.8	I147 V162 L163 M182	I147-L180 HydrophobicContact CD1-CD1 3.87Å; V162-L180 CarbonylContact O-C 3.38Å; V162-L180 WeakPolarHBondContact O-CA 3.44Å; L163-L180 HydrophobicContact CB-CD1 4.1Å; L163-L180 HydrophobicContact CD1-CB 4.21Å; L180-M182 HydrophobicContact CD1-SD 4.31Å; L180-M182 HydrophobicContact CD2-SD 4.16Å; L180-M182 HydrophobicContact CG-CG 4.49Å; L180-M182 HydrophobicContact CG-SD 4.14Å
181	F	50.1	Low	40.4	Very low	60 Å²	60	82.1 Å²	82.1	26%	0.263	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116	176.3	-59.5	-85.4	0	0	0	110.6	L136 G161 V162 L164 F183	L136-F181 HydrophobicContact CD1-CB 4.5Å; L136-F181 HydrophobicContact CD1-CD1 4.33Å; L136-F181 HydrophobicContact CD1-CD2 3.98Å; L136-F181 HydrophobicContact CD1-CE2 4.26Å; L136-F181 HydrophobicContact CD1-CG 4.01Å; G161-F181 CarbonylContact C-O 3.38Å; G161-F181 VanDerWaalsContact C-O 3.3Å; G161-F181 VanDerWaalsContact CA-O 3.25Å; G161-F181 WeakPolarHBondContact CA-O 3.43Å; V162-F181 HydrophobicContact CB-CB 4.28Å; V162-F181 PolarHBondContact N-O 3.42Å; V162-F181 PolarHBondContact O-N 2.79Å; L164-F181 HydrophobicContact CB-CD2 4.47Å; L164-F181 HydrophobicContact CB-CE2 4.08Å; L164-F181 HydrophobicContact CD2-CE2 3.87Å; F181-F183 HydrophobicContact CB-CD2 4.5Å; F181-F183 HydrophobicContact CB-CE2 3.55Å; F181-F183 HydrophobicContact CB-CZ 3.61Å; F181-F183 HydrophobicContact CG-CZ 4.41Å
182	M	47.7	Very low	39.6	Very low	69 Å²	69	79.2 Å²	79.2	34%	0.34	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132	175.8	-61.5	-65.2	-62.3	0	0	110.4	P149 I160 G161 L180	P149-M182 HydrophobicContact CG-CE 3.62Å; I160-M182 CarbonylContact O-C 3.47Å; I160-M182 WeakPolarHBondContact O-CA 3.48Å; G161-M182 WeakPolarHBondContact CA-SD 3.43Å; L180-M182 HydrophobicContact CD1-SD 4.31Å; L180-M182 HydrophobicContact CD2-SD 4.16Å; L180-M182 HydrophobicContact CG-CG 4.49Å; L180-M182 HydrophobicContact CG-SD 4.14Å
183	F	57.6	Low	38.9	Very low	25 Å²	25	77.8 Å²	77.8	11%	0.11	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.4	177.7	-58.8	-72.6	0	0	0	109.8	L118 W132 K134 L136 H159 I160 V162 F181 I185	L118-F183 HydrophobicContact CD2-CD2 3.94Å; L118-F183 HydrophobicContact CD2-CE2 4.12Å; W132-F183 HydrophobicContact CH2-CB 4.05Å; W132-F183 AromaticContact CH2-CD1 3.85Å; W132-F183 HydrophobicContact CH2-CD1 3.85Å; W132-F183 AromaticContact CH2-CG 3.89Å; W132-F183 HydrophobicContact CH2-CG 3.89Å; W132-F183 HydrophobicContact CZ2-CD1 4.23Å; K134-F183 HydrophobicContact CD-CE1 4.4Å; K134-F183 HydrophobicContact CG-CD1 4.29Å; K134-F183 HydrophobicContact CG-CE1 3.71Å; K134-F183 HydrophobicContact CG-CZ 4.23Å; L136-F183 HydrophobicContact CD1-CE2 4.45Å; L136-F183 HydrophobicContact CD1-CZ 3.88Å; L136-F183 HydrophobicContact CD2-CZ 4.17Å; L136-F183 HydrophobicContact CG-CZ 4.4Å; H159-F183 CarbonylContact C-O 3.42Å; H159-F183 VanDerWaalsContact CA-O 3.28Å; H159-F183 WeakPolarHBondContact CA-O 3.45Å; I160-F183 PolarHBondContact N-O 3.26Å; I160-F183 PolarHBondContact O-N 2.9Å; V162-F183 HydrophobicContact CB-CE2 3.99Å; V162-F183 HydrophobicContact CG2-CD2 3.82Å; V162-F183 HydrophobicContact CG2-CE2 3.56Å; F181-F183 HydrophobicContact CB-CD2 4.5Å; F181-F183 HydrophobicContact CB-CE2 3.55Å; F181-F183 HydrophobicContact CB-CZ 3.61Å; F181-F183 HydrophobicContact CG-CZ 4.41Å; F183-I185 HydrophobicContact CB-CG1 4.47Å
184	S	57.5	Low	38.5	Very low	52 Å²	52	78 Å²	78	36%	0.364	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.7	166.8	-57.3	0	0	0	0	107.3	H159	H159-S184 PolarHBondContact CE1-OG 2.78Å; H159-S184 PolarHBondContact ND1-OG 3.06Å
185	I	54.3	Low	38.1	Very low	0 Å²	0	80.3 Å²	80.3	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.5	-179	-53.7	-168.4	0	0	0	108.8	L106 W132 T157 V158 I160 F183 I187	L106-I185 HydrophobicContact CD1-CD1 3.39Å; L106-I185 HydrophobicContact CD2-CD1 4.4Å; W132-I185 HydrophobicContact CB-CG2 4.28Å; W132-I185 HydrophobicContact CD2-CD1 4.4Å; W132-I185 HydrophobicContact CD2-CG1 4.39Å; W132-I185 HydrophobicContact CD2-CG2 4.46Å; W132-I185 HydrophobicContact CE3-CD1 3.69Å; W132-I185 HydrophobicContact CE3-CG1 4.13Å; W132-I185 HydrophobicContact CG-CG2 4.37Å; W132-I185 HydrophobicContact CH2-CD1 4.3Å; W132-I185 HydrophobicContact CH2-CG1 4.32Å; W132-I185 HydrophobicContact CZ3-CD1 3.63Å; W132-I185 HydrophobicContact CZ3-CG1 4.08Å; T157-I185 CarbonylContact C-O 3.49Å; T157-I185 WeakPolarHBondContact CA-O 3.37Å; V158-I185 PolarHBondContact N-O 2.81Å; V158-I185 PolarHBondContact O-N 3.1Å; I160-I185 HydrophobicContact CD1-CB 4.47Å; I160-I185 HydrophobicContact CD1-CD1 3.43Å; I160-I185 VanDerWaalsContact CD1-CD1 3.43Å; I160-I185 HydrophobicContact CD1-CG1 3.97Å; I160-I185 HydrophobicContact CG1-CD1 4.23Å; I160-I185 HydrophobicContact CG1-CG1 4.34Å; F183-I185 HydrophobicContact CB-CG1 4.47Å; I185-I187 PolarHBondContact O-N 2.9Å
186	P	52.9	Low	37.6	Very low	29 Å²	29	82.5 Å²	82.5	19%	0.188	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	123.4	170.3	27.3	-31.2	0	0	0	109.8	E156 T157 F189	E156-P186 CarbonylContact O-C 3.49Å; E156-P186 VanDerWaalsContact O-CA 3.32Å; E156-P186 WeakPolarHBondContact O-CA 3.42Å; T157-P186 HydrophobicContact CG2-CB 4.29Å; P186-F189 HydrophobicContact CB-CE2 4.42Å; P186-F189 HydrophobicContact CB-CZ 4.47Å; P186-F189 HydrophobicContact CG-CE2 4.04Å; P186-F189 HydrophobicContact CG-CZ 3.96Å
187	I	47.9	Very low	37.1	Very low	40 Å²	40	85.1 Å²	85.1	21%	0.205	46%	0.458	C	S	.	.			trans	-93.1	-29	176.2	-62.3	-153.6	0	0	0	111.3	L101 E156 V158 I185	L101-I187 HydrophobicContact CB-CD1 4.43Å; L101-I187 HydrophobicContact CD1-CD1 3.95Å; E156-I187 PolarHBondContact O-N 2.93Å; V158-I187 HydrophobicContact CB-CD1 3.57Å; V158-I187 HydrophobicContact CB-CG1 3.93Å; V158-I187 HydrophobicContact CG1-CD1 4.46Å; V158-I187 HydrophobicContact CG2-CD1 3.07Å; V158-I187 HydrophobicContact CG2-CG1 3.75Å; I185-I187 PolarHBondContact O-N 2.9Å
188	V	39.6	Very low	36.4	Very low	84 Å²	84	89 Å²	89	51%	0.509	48%	0.479	S	S	.	.			trans	-114.9	102.4	-174.4	-171.1	0	0	0	0	109.4	E156 S190	E156-V188 PolarHBondContact O-N 2.97Å; V188-S190 PolarHBondContact O-N 3.36Å
189	F	32.7	Very low	35.8	Very low	124 Å²	124	92.9 Å²	92.9	54%	0.544	50%	0.495	S	S	.	.			trans	-88.8	89.5	163	-80.2	-80.4	0	0	0	109	P186	P186-F189 HydrophobicContact CB-CE2 4.42Å; P186-F189 HydrophobicContact CB-CZ 4.47Å; P186-F189 HydrophobicContact CG-CE2 4.04Å; P186-F189 HydrophobicContact CG-CZ 3.96Å
190	S	24.7	Very low	34.9	Very low	81 Å²	81	97.7 Å²	97.7	57%	0.566	53%	0.526	S	S	*	.			trans	-74.8	115.2	143.7	55	0	0	0	0	106.3	V188 T192	V188-S190 PolarHBondContact O-N 3.36Å; S190-T192 PolarHBondContact O-N 2.97Å
191	F	23.2	Very low	33.9	Very low	187 Å²	187	97.6 Å²	97.6	82%	0.82	53%	0.531	S	S	*	.	S	Bend	trans	-58	98.8	-176.8	-96.8	-97	0	0	0	112.1
192	T	21.4	Very low	32.5	Very low	122 Å²	122	101.9 Å²	101.9	75%	0.748	56%	0.555	S	S	*	*			trans	-144	117.7	146.5	35.3	0	0	0	0	107.5	S190 D194	S190-T192 PolarHBondContact O-N 2.97Å; T192-D194 PolarHBondContact O-N 2.83Å
193	V	22.4	Very low	31.2	Very low	120 Å²	120	104.4 Å²	104.4	73%	0.727	58%	0.575	S	S	*	*			trans	-61.2	99.3	178.4	178.4	0	0	0	0	108.4
194	D	22.5	Very low	29.5	Very low	128 Å²	128	111 Å²	111	68%	0.684	61%	0.612	S	S	*	*			trans	-113.9	101.2	170.4	-140.1	-19	0	0	0	109.3	T192 N196	T192-D194 PolarHBondContact O-N 2.83Å; D194-N196 PolarHBondContact O-N 2.74Å
195	N	24.1	Very low	27.7	Very low	145 Å²	145	112.8 Å²	112.8	78%	0.775	62%	0.62	S	S	*	*			trans	-77.1	25.7	-172.7	-87.9	-23.5	0	0	0	113.8
196	N	21.4	Very low	26	Very low	130 Å²	130	121.5 Å²	121.5	70%	0.695	66%	0.661	S	S	*	*			trans	-125	56.9	-170.6	-74.6	-32.5	0	0	0	113.4	D194	D194-N196 PolarHBondContact O-N 2.74Å
197	L	25	Very low	24.4	Very low	150 Å²	150	125.9 Å²	125.9	79%	0.785	69%	0.687	S	S	*	*			trans	-100.2	70	164.6	-84	161.7	0	0	0	110.8
198	N	21.1	Very low	23.1	Very low	148 Å²	148	129.5 Å²	129.5	79%	0.791	71%	0.711	S	S	*	*			trans	-88.7	88.5	159.4	-79.5	-26.3	0	0	0	108.3
199	H	22.9	Very low	22.1	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.745	72%	0.723	S	S	*	*			trans	-139.7	115.5	160.3	-120.3	-59.7	0	0	0	111	C201	H199-C201 PolarHBondContact O-N 2.78Å
200	P	21.9	Very low	21.6	Very low	120 Å²	120	131.4 Å²	131.4	78%	0.779	74%	0.735	S	S	*	*			trans	-79.2	118.2	178.6	30	-30.4	0	0	0	109.7
201	C	21.8	Very low	21.5	Very low	75 Å²	75	135 Å²	135	51%	0.507	75%	0.746	S	S	.	*			trans	-119.2	76.3	170.7	-57.5	0	0	0	0	109.3	H199	H199-C201 PolarHBondContact O-N 2.78Å
202	L	21	Very low	21.3	Very low	149 Å²	149	131.2 Å²	131.2	78%	0.78	73%	0.734	S	S	*	*			trans	-113.9	98.1	161.8	-88.2	157.8	0	0	0	106
203	T	20.4	Very low	21.5	Very low	123 Å²	123	131.5 Å²	131.5	76%	0.755	74%	0.736	S	S	*	*			trans	-92.1	137.2	166.9	42.6	0	0	0	0	109.3
204	D	20.2	Very low	21.4	Very low	163 Å²	163	132.1 Å²	132.1	87%	0.872	74%	0.735	S	S	*	*			trans	-44.5	132.1	-168.9	-69.7	-48.7	0	0	0	115.6	Q206	D204-Q206 PolarHBondContact O-N 3.42Å
205	V	21.1	Very low	21.5	Very low	89 Å²	89	133.9 Å²	133.9	54%	0.539	74%	0.737	S	S	.	*			trans	-67.4	114.2	175.5	179.4	0	0	0	0	109.6	T207	V205-T207 PolarHBondContact O-N 2.87Å
206	Q	18.9	Very low	21.4	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	74%	0.742	S	S	*	*			trans	-81	107.5	165.9	-75.5	-169.8	-8.5	0	0	109.9	D204 V208	D204-Q206 PolarHBondContact O-N 3.42Å; Q206-V208 PolarHBondContact O-N 3.2Å
207	T	19.3	Very low	21.5	Very low	121 Å²	121	133.8 Å²	133.8	74%	0.742	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-70.6	118.2	167.5	37.7	0	0	0	0	110.5	V205	V205-T207 PolarHBondContact O-N 2.87Å
208	V	18.9	Very low	21.3	Very low	115 Å²	115	133.8 Å²	133.8	70%	0.697	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-79.3	131.2	171.5	-173.7	0	0	0	0	109.2	Q206	Q206-V208 PolarHBondContact O-N 3.2Å
209	P	19.5	Very low	21.4	Very low	118 Å²	118	138.6 Å²	138.6	77%	0.766	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-73	132.9	-177.7	25.5	-31	0	0	0	113.2
210	V	22.3	Very low	21.3	Very low	131 Å²	131	137 Å²	137	79%	0.794	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-79.7	132.6	174.3	177.2	0	0	0	0	110.1
211	I	21.3	Very low	21.4	Very low	155 Å²	155	136.6 Å²	136.6	80%	0.795	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-83.9	126.4	171.1	-59.9	179	0	0	0	109.8
212	N	20.8	Very low	21.3	Very low	108 Å²	108	138.2 Å²	138.2	58%	0.578	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-63.8	124.7	-172.1	-172.2	-2.8	0	0	0	113.1	N214	N212-N214 PolarHBondContact O-N 3.42Å
213	T	24.8	Very low	21.4	Very low	129 Å²	129	134.9 Å²	134.9	79%	0.791	75%	0.75	S	S	*	*			trans	-75.3	52.3	177.9	53.2	0	0	0	0	113.3
214	N	20.7	Very low	21.5	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	74%	0.739	S	S	*	*			trans	-99.5	28.3	174.6	-91.9	-1.5	0	0	0	113.4	N212 N216	N212-N214 PolarHBondContact O-N 3.42Å; N214-N216 PolarHBondContact O-N 2.8Å; N214-N216 VanDerWaalsContact O-N 3.14Å
215	F	24.4	Very low	21.7	Very low	165 Å²	165	127.2 Å²	127.2	72%	0.724	72%	0.715	S	S	*	*			trans	-81.9	90.2	165.8	-75.8	-77.4	0	0	0	109.7	T217	F215-T217 VanDerWaalsContact C-N 3.26Å; F215-T217 PolarHBondContact O-N 3.03Å
216	N	21.4	Very low	21.9	Very low	166 Å²	166	127.4 Å²	127.4	89%	0.888	72%	0.717	S	S	*	*			trans	-55.7	91.8	157.3	-92.9	-19.7	0	0	0	108.3	N214	N214-N216 PolarHBondContact O-N 2.8Å; N214-N216 VanDerWaalsContact O-N 3.14Å
217	T	23.9	Very low	22.4	Very low	108 Å²	108	124 Å²	124	66%	0.663	70%	0.697	S	S	*	*			trans	-108.9	121.7	161.9	33.5	0	0	0	0	107.6	F215 R219	F215-T217 VanDerWaalsContact C-N 3.26Å; F215-T217 PolarHBondContact O-N 3.03Å; T217-R219 PolarHBondContact O-N 2.95Å
218	D	21.4	Very low	22.8	Very low	149 Å²	149	123.5 Å²	123.5	80%	0.797	69%	0.686	S	S	*	*			trans	-51.2	130.2	-170	-76.9	-51.2	0	0	0	112.8	T220	D218-T220 PolarHBondContact O-N 3.1Å
219	R	22.9	Very low	23.2	Very low	250 Å²	250	121.7 Å²	121.7	94%	0.943	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	44	-173.6	-70.1	-176.9	171.1	-175.9	-1.9	114.3	T217	T217-R219 PolarHBondContact O-N 2.95Å
220	T	21.2	Very low	23.7	Very low	128 Å²	128	119.3 Å²	119.3	79%	0.785	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	1.5	178.4	51.3	0	0	0	0	115.2	D218 S222	D218-T220 PolarHBondContact O-N 3.1Å; T220-S222 PolarHBondContact O-N 2.79Å
221	C	22.3	Very low	23.9	Very low	110 Å²	110	117.3 Å²	117.3	74%	0.743	63%	0.633	S	S	*	*			trans	-86.9	96.2	162.9	-66.2	0	0	0	0	110
222	S	21.3	Very low	24.4	Very low	109 Å²	109	111.2 Å²	111.2	76%	0.762	60%	0.602	S	S	*	*	S	Bend	trans	-50.5	137.3	162.2	52.2	0	0	0	0	109.6	T220	T220-S222 PolarHBondContact O-N 2.79Å
223	S	22.7	Very low	24.7	Very low	80 Å²	80	116.7 Å²	116.7	56%	0.559	61%	0.614	S	S	*	*	S	Bend	trans	66.1	70.5	-171	66.4	0	0	0	0	114.1	I225	S223-I225 PolarHBondContact O-N 2.71Å
224	G	22.1	Very low	24.8	Very low	49 Å²	49	115.5 Å²	115.5	51%	0.505	60%	0.598	S	S	.	*			trans	-59.3	108.4	177.8	0	0	0	0	0	112.2	V226	G224-V226 PolarHBondContact O-N 3.19Å
225	I	24.8	Very low	25.3	Very low	75 Å²	75	115.7 Å²	115.7	39%	0.385	60%	0.599	S	S	.	*			trans	-62.7	118.5	163.9	-61.4	170.5	0	0	0	106.7	S223 L241 Y242 A285	S223-I225 PolarHBondContact O-N 2.71Å; I225-L241 HydrophobicContact CG2-CD1 3.72Å; I225-L241 HydrophobicContact CG2-CG 4Å; I225-Y242 WeakPolarHBondContact CA-O 3.01Å; I225-A285 HydrophobicContact CD1-CB 4.25Å
226	V	25.3	Very low	25.5	Very low	93 Å²	93	109.2 Å²	109.2	56%	0.564	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.8	136.5	171.7	-177.4	0	0	0	0	107.2	G224 Y242	G224-V226 PolarHBondContact O-N 3.19Å; V226-Y242 HydrophobicContact CB-CD2 4.24Å; V226-Y242 HydrophobicContact CB-CG 4.46Å; V226-Y242 HydrophobicContact CG1-CD2 4.38Å; V226-Y242 PolarHBondContact N-O 3.19Å; V226-Y242 WeakPolarHBondContact O-CB 3.36Å; V226-Y242 VanDerWaalsContact O-CD2 3.31Å; V226-Y242 WeakPolarHBondContact O-CD2 3.13Å; V226-Y242 PolarHBondContact O-N 3.1Å
227	Y	29.7	Very low	25.8	Very low	114 Å²	114	105.5 Å²	105.5	45%	0.447	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132	147.8	176.4	54	-94.3	0	0	0	110.2	F229 V240	Y227-F229 HydrophobicContact CD2-CD2 4.05Å; Y227-F229 AromaticContact CD2-CE2 3.36Å; Y227-F229 HydrophobicContact CD2-CE2 3.36Å; Y227-F229 AromaticContact CD2-CZ 3.93Å; Y227-F229 HydrophobicContact CD2-CZ 3.93Å; Y227-F229 HydrophobicContact CE2-CD2 4.34Å; Y227-F229 AromaticContact CE2-CE2 3.52Å; Y227-F229 HydrophobicContact CE2-CE2 3.52Å; Y227-F229 HydrophobicContact CE2-CZ 4.25Å; Y227-V240 WeakPolarHBondContact CA-O 3.22Å
228	E	27	Very low	26.2	Very low	109 Å²	109	101 Å²	101	51%	0.509	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.9	176.7	-172.5	168.5	-164.6	0	0	109.2	F239 V240	E228-F239 WeakPolarHBondContact O-CA 3.36Å; E228-V240 PolarHBondContact N-O 2.97Å; E228-V240 PolarHBondContact O-N 2.78Å
229	F	27.7	Very low	26.8	Very low	78 Å²	78	95.3 Å²	95.3	34%	0.342	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.3	174.3	-61.3	-79.5	0	0	0	109.7	Y227 L237 M238 F239 C289	Y227-F229 HydrophobicContact CD2-CD2 4.05Å; Y227-F229 AromaticContact CD2-CE2 3.36Å; Y227-F229 HydrophobicContact CD2-CE2 3.36Å; Y227-F229 AromaticContact CD2-CZ 3.93Å; Y227-F229 HydrophobicContact CD2-CZ 3.93Å; Y227-F229 HydrophobicContact CE2-CD2 4.34Å; Y227-F229 AromaticContact CE2-CE2 3.52Å; Y227-F229 HydrophobicContact CE2-CE2 3.52Å; Y227-F229 HydrophobicContact CE2-CZ 4.25Å; F229-L237 HydrophobicContact CB-CD1 4.18Å; F229-L237 HydrophobicContact CD1-CD1 3.96Å; F229-L237 HydrophobicContact CD1-CD2 4.26Å; F229-L237 HydrophobicContact CD1-CG 4.25Å; F229-L237 HydrophobicContact CG-CD1 4.45Å; F229-M238 WeakPolarHBondContact CA-O 3.39Å; F229-F239 HydrophobicContact CD1-CB 4.42Å; F229-F239 HydrophobicContact CE1-CB 4.48Å; F229-C289 WeakPolarHBondContact CE1-O 2.75Å; F229-C289 HydrophobicContact CZ-CB 4.44Å; F229-C289 WeakPolarHBondContact CZ-O 3.09Å
230	Y	29.8	Very low	27.2	Very low	68 Å²	68	84.1 Å²	84.1	27%	0.267	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.3	162.8	68.5	-86.9	0	0	0	111.6	M238 Q517	Y230-M238 HydrophobicContact CD1-CB 3.94Å; Y230-M238 HydrophobicContact CD2-CB 4.1Å; Y230-M238 HydrophobicContact CD2-CG 4.28Å; Y230-M238 HydrophobicContact CE1-CB 3.62Å; Y230-M238 HydrophobicContact CE1-CG 4.43Å; Y230-M238 HydrophobicContact CE2-CB 3.8Å; Y230-M238 HydrophobicContact CE2-CG 3.76Å; Y230-M238 HydrophobicContact CG-CB 4.17Å; Y230-M238 PolarHBondContact N-O 2.79Å; Y230-M238 VanDerWaalsContact N-O 3.1Å; Y230-M238 WeakPolarHBondContact O-CB 3.46Å; Y230-M238 PolarHBondContact O-N 2.88Å; Y230-M238 WeakPolarHBondContact OH-CE 3.42Å; Y230-Q517 PolarHBondContact OH-OE1 3.47Å
231	V	26.2	Very low	27.7	Very low	88 Å²	88	78 Å²	78	53%	0.533	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124	-176.9	179.6	0	0	0	0	108	N235 D236 L237	V231-N235 VanDerWaalsContact CG1-CA 3.48Å; V231-N235 HydrophobicContact CG1-CB 4.22Å; V231-D236 WeakPolarHBondContact CA-O 3.38Å; V231-L237 HydrophobicContact CG2-CD1 4.38Å
232	N	31.5	Very low	28	Very low	27 Å²	27	75 Å²	75	14%	0.144	39%	0.387	C	S	.	.			trans	-76	176.1	177.9	78.2	8.9	0	0	0	111.5	K234 N235 D236	N232-K234 PolarHBondContact O-N 2.82Å; N232-K234 VanDerWaalsContact OD1-C 3.32Å; N232-K234 VanDerWaalsContact OD1-CA 3.3Å; N232-K234 WeakPolarHBondContact OD1-CA 2.83Å; N232-K234 WeakPolarHBondContact OD1-CB 3.41Å; N232-K234 PolarHBondContact OD1-N 2.71Å; N232-N235 PolarHBondContact O-N 3.36Å; N232-N235 PolarHBondContact OD1-N 3.32Å; N232-N235 VanDerWaalsContact OD1-N 3.09Å; N232-D236 PolarHBondContact N-O 3.32Å; N232-D236 WeakPolarHBondContact ND2-CB 3.21Å; N232-D236 PolarHBondContact ND2-OD2 3.22Å; N232-D236 PolarHBondContact OD1-N 3.03Å; N232-D236 PolarHBondContact OD1-OD2 3.25Å
233	R	27.1	Very low	28.4	Very low	224 Å²	224	71.6 Å²	71.6	85%	0.845	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.1	178.4	-71	-173.1	178.5	-179.7	0.7	114.9
234	K	28.5	Very low	28.5	Very low	104 Å²	104	71.8 Å²	71.8	45%	0.452	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	8.2	176.8	-65.2	178.4	-175.5	166.2	0	112.4	N232 D236 Y256	N232-K234 PolarHBondContact O-N 2.82Å; N232-K234 VanDerWaalsContact OD1-C 3.32Å; N232-K234 VanDerWaalsContact OD1-CA 3.3Å; N232-K234 WeakPolarHBondContact OD1-CA 2.83Å; N232-K234 WeakPolarHBondContact OD1-CB 3.41Å; N232-K234 PolarHBondContact OD1-N 2.71Å; K234-D236 VanDerWaalsContact C-N 3.32Å; K234-Y256 HydrophobicContact CD-CE1 3.97Å; K234-Y256 HydrophobicContact CD-CE2 3.87Å; K234-Y256 VanDerWaalsContact CD-CZ 3.48Å; K234-Y256 WeakPolarHBondContact CD-OH 3.1Å; K234-Y256 WeakPolarHBondContact CE-OH 3.31Å; K234-Y256 PolarHBondContact NZ-OH 3.37Å
235	N	29.5	Very low	28.6	Very low	136 Å²	136	76.2 Å²	76.2	73%	0.727	37%	0.373	S	S	*	.			trans	68	19.3	-175.3	-61.6	-29	0	0	0	115.7	V231 N232	V231-N235 VanDerWaalsContact CG1-CA 3.48Å; V231-N235 HydrophobicContact CG1-CB 4.22Å; N232-N235 PolarHBondContact O-N 3.36Å; N232-N235 PolarHBondContact OD1-N 3.32Å; N232-N235 VanDerWaalsContact OD1-N 3.09Å
236	D	28.8	Very low	28.7	Very low	29 Å²	29	75.6 Å²	75.6	16%	0.155	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-77.5	133.7	174.1	-49.7	-48.9	0	0	0	110.5	V231 N232 K234	V231-D236 WeakPolarHBondContact CA-O 3.38Å; N232-D236 PolarHBondContact N-O 3.32Å; N232-D236 WeakPolarHBondContact ND2-CB 3.21Å; N232-D236 PolarHBondContact ND2-OD2 3.22Å; N232-D236 PolarHBondContact OD1-N 3.03Å; N232-D236 PolarHBondContact OD1-OD2 3.25Å; K234-D236 VanDerWaalsContact C-N 3.32Å
237	L	28.7	Very low	28.9	Very low	87 Å²	87	75 Å²	75	46%	0.455	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.6	177.3	-175.2	72.8	0	0	0	110.7	F229 V231 L254	F229-L237 HydrophobicContact CB-CD1 4.18Å; F229-L237 HydrophobicContact CD1-CD1 3.96Å; F229-L237 HydrophobicContact CD1-CD2 4.26Å; F229-L237 HydrophobicContact CD1-CG 4.25Å; F229-L237 HydrophobicContact CG-CD1 4.45Å; V231-L237 HydrophobicContact CG2-CD1 4.38Å; L237-L254 WeakPolarHBondContact O-CD1 3.36Å
238	M	31.5	Very low	28.8	Very low	14 Å²	14	71 Å²	71	7%	0.069	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.8	175.7	-60.8	-76	-77.7	0	0	109.7	F229 Y230 Q253	F229-M238 WeakPolarHBondContact CA-O 3.39Å; Y230-M238 HydrophobicContact CD1-CB 3.94Å; Y230-M238 HydrophobicContact CD2-CB 4.1Å; Y230-M238 HydrophobicContact CD2-CG 4.28Å; Y230-M238 HydrophobicContact CE1-CB 3.62Å; Y230-M238 HydrophobicContact CE1-CG 4.43Å; Y230-M238 HydrophobicContact CE2-CB 3.8Å; Y230-M238 HydrophobicContact CE2-CG 3.76Å; Y230-M238 HydrophobicContact CG-CB 4.17Å; Y230-M238 PolarHBondContact N-O 2.79Å; Y230-M238 VanDerWaalsContact N-O 3.1Å; Y230-M238 WeakPolarHBondContact O-CB 3.46Å; Y230-M238 PolarHBondContact O-N 2.88Å; Y230-M238 WeakPolarHBondContact OH-CE 3.42Å; M238-Q253 HydrophobicContact CE-CB 3.99Å; M238-Q253 HydrophobicContact SD-CB 4.3Å; M238-Q253 HydrophobicContact SD-CG 4.43Å
239	F	34	Very low	29.1	Very low	30 Å²	30	66.3 Å²	66.3	13%	0.132	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.8	179.2	67.9	-87.1	0	0	0	111.5	E228 F229 I251 C261 V263 L286	E228-F239 WeakPolarHBondContact O-CA 3.36Å; F229-F239 HydrophobicContact CD1-CB 4.42Å; F229-F239 HydrophobicContact CE1-CB 4.48Å; F239-I251 HydrophobicContact CD2-CD1 3.47Å; F239-I251 VanDerWaalsContact CD2-CD1 3.47Å; F239-I251 HydrophobicContact CD2-CG2 4.05Å; F239-I251 HydrophobicContact CE1-CG2 4.31Å; F239-I251 HydrophobicContact CE2-CD1 3.34Å; F239-I251 HydrophobicContact CE2-CG1 4.45Å; F239-I251 HydrophobicContact CE2-CG2 3.77Å; F239-I251 HydrophobicContact CG-CG2 4.45Å; F239-I251 HydrophobicContact CZ-CD1 4.41Å; F239-I251 HydrophobicContact CZ-CG2 3.93Å; F239-I251 WeakPolarHBondContact O-CB 3.5Å; F239-I251 VanDerWaalsContact O-CG2 3.31Å; F239-I251 WeakPolarHBondContact O-CG2 3.39Å; F239-C261 HydrophobicContact CE1-CB 3.61Å; F239-C261 WeakPolarHBondContact CE1-SG 3.14Å; F239-C261 HydrophobicContact CZ-CB 3.74Å; F239-C261 WeakPolarHBondContact CZ-SG 3.45Å; F239-V263 HydrophobicContact CE2-CG2 4.22Å; F239-V263 HydrophobicContact CZ-CG2 4.33Å; F239-L286 HydrophobicContact CD2-CD2 4.41Å; F239-L286 HydrophobicContact CE2-CD2 3.33Å; F239-L286 HydrophobicContact CZ-CD2 3.56Å
240	V	32.3	Very low	29.3	Very low	14 Å²	14	63.3 Å²	63.3	9%	0.085	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.7	172.5	-178.7	0	0	0	0	108.9	Y227 E228 Y242	Y227-V240 WeakPolarHBondContact CA-O 3.22Å; E228-V240 PolarHBondContact N-O 2.97Å; E228-V240 PolarHBondContact O-N 2.78Å; V240-Y242 HydrophobicContact CB-CE2 4.3Å; V240-Y242 HydrophobicContact CG1-CD2 4.3Å; V240-Y242 HydrophobicContact CG1-CE2 3.68Å
241	L	31.6	Very low	29.4	Very low	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.7	-179.3	-161.9	95.6	0	0	0	111.1	I225 V243 I251 W282 A285 C289	I225-L241 HydrophobicContact CG2-CD1 3.72Å; I225-L241 HydrophobicContact CG2-CG 4Å; L241-V243 HydrophobicContact CD2-CG2 3.61Å; L241-V243 HydrophobicContact CG-CG2 4.39Å; L241-I251 HydrophobicContact CB-CD1 3.61Å; L241-W282 HydrophobicContact CD2-CE3 3.76Å; L241-W282 HydrophobicContact CD2-CH2 3.88Å; L241-W282 HydrophobicContact CD2-CZ3 3.18Å; L241-W282 HydrophobicContact CG-CZ3 4.49Å; L241-A285 HydrophobicContact CD1-CB 4.02Å; L241-A285 HydrophobicContact CD2-CB 3.87Å; L241-C289 WeakPolarHBondContact CD1-SG 3.05Å
242	Y	28.8	Very low	29.8	Very low	45 Å²	45	56.9 Å²	56.9	18%	0.176	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.7	173.4	-62.7	-92.9	0	0	0	110.4	I225 V226 V240	I225-Y242 WeakPolarHBondContact CA-O 3.01Å; V226-Y242 HydrophobicContact CB-CD2 4.24Å; V226-Y242 HydrophobicContact CB-CG 4.46Å; V226-Y242 HydrophobicContact CG1-CD2 4.38Å; V226-Y242 PolarHBondContact N-O 3.19Å; V226-Y242 WeakPolarHBondContact O-CB 3.36Å; V226-Y242 VanDerWaalsContact O-CD2 3.31Å; V226-Y242 WeakPolarHBondContact O-CD2 3.13Å; V226-Y242 PolarHBondContact O-N 3.1Å; V240-Y242 HydrophobicContact CB-CE2 4.3Å; V240-Y242 HydrophobicContact CG1-CD2 4.3Å; V240-Y242 HydrophobicContact CG1-CE2 3.68Å
243	V	28.5	Very low	29.7	Very low	39 Å²	39	58.8 Å²	58.8	24%	0.236	29%	0.292	C	S	.	.			trans	-119.1	116.1	171.9	-174.5	0	0	0	0	108.8	L241 D245 M246 Y249 W282	L241-V243 HydrophobicContact CD2-CG2 3.61Å; L241-V243 HydrophobicContact CG-CG2 4.39Å; V243-D245 VanDerWaalsContact C-N 3.29Å; V243-D245 PolarHBondContact O-N 2.7Å; V243-M246 PolarHBondContact O-N 3.03Å; V243-Y249 HydrophobicContact CB-CE2 4.4Å; V243-W282 HydrophobicContact CG2-CH2 3.94Å; V243-W282 HydrophobicContact CG2-CZ2 4.35Å; V243-W282 HydrophobicContact CG2-CZ3 4.48Å
244	P	24.5	Very low	29.7	Very low	84 Å²	84	49.5 Å²	49.5	55%	0.545	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.5	-170.6	-25.5	33.2	0	0	0	116	M246	P244-M246 VanDerWaalsContact C-N 3.34Å; P244-M246 PolarHBondContact O-N 3Å
245	D	25.4	Very low	29.9	Very low	141 Å²	141	45.8 Å²	45.8	75%	0.754	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	6.5	-172.7	-63.2	-21.1	0	0	0	113.8	V243	V243-D245 VanDerWaalsContact C-N 3.29Å; V243-D245 PolarHBondContact O-N 2.7Å
246	M	27	Very low	29.8	Very low	63 Å²	63	46.8 Å²	46.8	31%	0.31	24%	0.24	S	C	.	.	S	Bend	trans	-138	152.7	175.7	-63.9	-148	-87.6	0	0	112.7	V243 P244 S248 Y249 C267 W282	V243-M246 PolarHBondContact O-N 3.03Å; P244-M246 VanDerWaalsContact C-N 3.34Å; P244-M246 PolarHBondContact O-N 3Å; M246-S248 PolarHBondContact O-N 3.34Å; M246-S248 VanDerWaalsContact O-N 3.15Å; M246-Y249 HydrophobicContact CB-CE2 3.7Å; M246-Y249 WeakPolarHBondContact CB-OH 3.01Å; M246-Y249 WeakPolarHBondContact CE-OH 3.34Å; M246-Y249 WeakPolarHBondContact CG-OH 3.35Å; M246-Y249 PolarHBondContact SD-OH 3.13Å; M246-C267 HydrophobicContact SD-CB 4.27Å; M246-W282 HydrophobicContact CE-CZ2 3.71Å
247	L	29.4	Very low	29.9	Very low	81 Å²	81	49.1 Å²	49.1	42%	0.424	25%	0.253	S	S	.	.	S	Bend	trans	-60.1	115.9	-175.6	-76.5	162	0	0	0	110.7	Y249 P354	L247-Y249 PolarHBondContact O-N 2.78Å; L247-P354 HydrophobicContact CD1-CG 3.83Å
248	S	27.7	Very low	30.1	Very low	30 Å²	30	45.7 Å²	45.7	21%	0.21	24%	0.239	C	C	.	.			trans	-8.1	113.3	174.1	60.3	0	0	0	0	116.3	M246	M246-S248 PolarHBondContact O-N 3.34Å; M246-S248 VanDerWaalsContact O-N 3.15Å
249	Y	32.6	Very low	30.3	Very low	9 Å²	9	50.2 Å²	50.2	4%	0.035	26%	0.258	C	S	.	.			trans	-95.4	141.5	179.9	-56.8	-67.9	0	0	0	112.2	V243 M246 L247 P264 L265 W282	V243-Y249 HydrophobicContact CB-CE2 4.4Å; M246-Y249 HydrophobicContact CB-CE2 3.7Å; M246-Y249 WeakPolarHBondContact CB-OH 3.01Å; M246-Y249 WeakPolarHBondContact CE-OH 3.34Å; M246-Y249 WeakPolarHBondContact CG-OH 3.35Å; M246-Y249 PolarHBondContact SD-OH 3.13Å; L247-Y249 PolarHBondContact O-N 2.78Å; Y249-P264 WeakPolarHBondContact CD1-O 3.3Å; Y249-L265 HydrophobicContact CD1-CD2 3.82Å; Y249-L265 HydrophobicContact CE1-CB 4.17Å; Y249-L265 HydrophobicContact CE1-CD2 3.63Å; Y249-L265 HydrophobicContact CE2-CD2 4.4Å; Y249-L265 HydrophobicContact CG-CD2 4.25Å; Y249-W282 AromaticContact CD2-CH2 3.61Å; Y249-W282 HydrophobicContact CD2-CH2 3.61Å; Y249-W282 HydrophobicContact CD2-CZ2 4.32Å; Y249-W282 AromaticContact CE2-CH2 3.41Å; Y249-W282 HydrophobicContact CE2-CH2 3.41Å; Y249-W282 VanDerWaalsContact CE2-CH2 3.41Å; Y249-W282 AromaticContact CE2-CZ2 3.66Å; Y249-W282 HydrophobicContact CE2-CZ2 3.66Å; Y249-W282 HydrophobicContact CG-CH2 4.23Å; Y249-W282 AromaticContact CZ-CH2 3.9Å; Y249-W282 AromaticContact CZ-CZ2 3.82Å
250	T	32.7	Very low	30.3	Very low	15 Å²	15	50.4 Å²	50.4	9%	0.092	26%	0.26	C	S	.	.			trans	-114.6	109.3	171.7	-52.5	0	0	0	0	108.5	H252 P264 I515	T250-H252 PolarHBondContact O-CD2 2.9Å; T250-H252 VanDerWaalsContact O-CD2 3.28Å; T250-P264 WeakPolarHBondContact O-CD 3.38Å; T250-P264 WeakPolarHBondContact O-CG 3.45Å; T250-I515 HydrophobicContact CG2-CG2 4.32Å
251	I	30.4	Very low	30.7	Very low	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.257	C	S	.	.			trans	-83.2	129.4	178.1	-61.5	-176.6	0	0	0	108.9	F239 L241 C261 V263 Q517	F239-I251 HydrophobicContact CD2-CD1 3.47Å; F239-I251 VanDerWaalsContact CD2-CD1 3.47Å; F239-I251 HydrophobicContact CD2-CG2 4.05Å; F239-I251 HydrophobicContact CE1-CG2 4.31Å; F239-I251 HydrophobicContact CE2-CD1 3.34Å; F239-I251 HydrophobicContact CE2-CG1 4.45Å; F239-I251 HydrophobicContact CE2-CG2 3.77Å; F239-I251 HydrophobicContact CG-CG2 4.45Å; F239-I251 HydrophobicContact CZ-CD1 4.41Å; F239-I251 HydrophobicContact CZ-CG2 3.93Å; F239-I251 WeakPolarHBondContact O-CB 3.5Å; F239-I251 VanDerWaalsContact O-CG2 3.31Å; F239-I251 WeakPolarHBondContact O-CG2 3.39Å; L241-I251 HydrophobicContact CB-CD1 3.61Å; I251-C261 WeakPolarHBondContact CG2-SG 3.12Å; I251-V263 HydrophobicContact CD1-CG1 4.09Å; I251-V263 HydrophobicContact CD1-CG2 3.86Å; I251-V263 HydrophobicContact CG1-CB 4.35Å; I251-V263 HydrophobicContact CG1-CG1 4.01Å; I251-V263 HydrophobicContact CG1-CG2 4.07Å; I251-V263 HydrophobicContact CG2-CG2 4.13Å; I251-Q517 PolarHBondContact O-OE1 2.95Å
252	H	35.2	Very low	31	Very low	17 Å²	17	50.2 Å²	50.2	8%	0.079	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-102.3	149.9	-175.6	-69.9	-88	0	0	0	112.5	T250 L262 V360	T250-H252 PolarHBondContact O-CD2 2.9Å; T250-H252 VanDerWaalsContact O-CD2 3.28Å; H252-L262 HydrophobicContact CB-CB 4.45Å; H252-L262 PolarHBondContact N-O 3.47Å; H252-L262 PolarHBondContact O-N 2.73Å; H252-V360 HydrophobicContact CB-CB 4.06Å; H252-V360 HydrophobicContact CB-CG1 4.2Å; H252-V360 WeakPolarHBondContact CD2-CB 3.5Å; H252-V360 WeakPolarHBondContact CD2-CG2 3.08Å; H252-V360 PolarHBondContact CE1-N 2.88Å; H252-V360 VanDerWaalsContact CG-CB 3.48Å; H252-V360 WeakPolarHBondContact NE2-CG2 3.13Å
253	Q	29.1	Very low	31.6	Very low	68 Å²	68	48.1 Å²	48.1	32%	0.318	25%	0.25	S	S	.	.			trans	-23.2	126.8	-178.2	-179.3	169.3	11.5	0	0	116	M238 S255	M238-Q253 HydrophobicContact CE-CB 3.99Å; M238-Q253 HydrophobicContact SD-CB 4.3Å; M238-Q253 HydrophobicContact SD-CG 4.43Å; Q253-S255 PolarHBondContact O-N 3.2Å
254	L	28.2	Very low	32.1	Very low	29 Å²	29	46.6 Å²	46.6	15%	0.152	24%	0.242	C	C	.	.			trans	-54.4	129.1	158.5	-72.5	173.9	0	0	0	108.2	L237 G258 L260 C261	L237-L254 WeakPolarHBondContact O-CD1 3.36Å; L254-G258 WeakPolarHBondContact CD2-O 3.25Å; L254-L260 WeakPolarHBondContact CA-O 3.39Å; L254-C261 HydrophobicContact CD2-CB 3.52Å; L254-C261 HydrophobicContact CG-CB 4.45Å
255	S	31.7	Very low	32.8	Very low	26 Å²	26	43 Å²	43	18%	0.182	22%	0.218	C	C	.	.			trans	-45.3	153.4	168.1	52.7	0	0	0	0	110.8	Q253 D257 G258 K259 L260	Q253-S255 PolarHBondContact O-N 3.2Å; S255-D257 VanDerWaalsContact CB-OD1 3.3Å; S255-D257 WeakPolarHBondContact CB-OD1 3.31Å; S255-D257 PolarHBondContact O-N 3.43Å; S255-D257 PolarHBondContact OG-OD1 2.9Å; S255-G258 WeakPolarHBondContact O-CA 3.41Å; S255-G258 PolarHBondContact O-N 3.31Å; S255-K259 PolarHBondContact OG-N 3.23Å; S255-L260 PolarHBondContact N-O 2.79Å; S255-L260 VanDerWaalsContact N-O 3.14Å; S255-L260 WeakPolarHBondContact OG-CB 3.29Å; S255-L260 PolarHBondContact OG-N 2.75Å
256	Y	27.3	Very low	33.3	Very low	156 Å²	156	37.5 Å²	37.5	61%	0.612	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-19.2	-176.7	-144.8	-77.5	0	0	0	114.6	K234	K234-Y256 HydrophobicContact CD-CE1 3.97Å; K234-Y256 HydrophobicContact CD-CE2 3.87Å; K234-Y256 VanDerWaalsContact CD-CZ 3.48Å; K234-Y256 WeakPolarHBondContact CD-OH 3.1Å; K234-Y256 WeakPolarHBondContact CE-OH 3.31Å; K234-Y256 PolarHBondContact NZ-OH 3.37Å
257	D	31.7	Very low	33.9	Very low	78 Å²	78	35.6 Å²	35.6	42%	0.417	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	11.8	176.2	64.8	-10.5	0	0	0	114.2	S255 K259	S255-D257 VanDerWaalsContact CB-OD1 3.3Å; S255-D257 WeakPolarHBondContact CB-OD1 3.31Å; S255-D257 PolarHBondContact O-N 3.43Å; S255-D257 PolarHBondContact OG-OD1 2.9Å; D257-K259 HydrophobicContact CB-CG 4.32Å; D257-K259 PolarHBondContact O-N 3.07Å; D257-K259 WeakPolarHBondContact OD1-CB 3.48Å; D257-K259 PolarHBondContact OD1-N 2.8Å; D257-K259 WeakPolarHBondContact OD2-CD 3.5Å; D257-K259 VanDerWaalsContact OD2-CE 3.24Å; D257-K259 WeakPolarHBondContact OD2-CE 3.32Å; D257-K259 WeakPolarHBondContact OD2-CG 3.41Å; D257-K259 IonicContact OD2-NZ 2.72Å; D257-K259 PolarHBondContact OD2-NZ 3.05Å
258	G	31.9	Very low	34.2	Very low	15 Å²	15	39.2 Å²	39.2	16%	0.155	19%	0.189	C	C	.	.	S	Bend	trans	72	-2	-178.4	0	0	0	0	0	114.9	L254 S255 Q298	L254-G258 WeakPolarHBondContact CD2-O 3.25Å; S255-G258 WeakPolarHBondContact O-CA 3.41Å; S255-G258 PolarHBondContact O-N 3.31Å; G258-Q298 PolarHBondContact O-OE1 2.85Å
259	K	35.9	Very low	34.6	Very low	109 Å²	109	39.1 Å²	39.1	47%	0.474	19%	0.188	S	C	.	.			trans	-79.7	-31.6	-165.3	-64.6	-171.3	-166.7	127.9	0	114.7	S255 D257 S299	S255-K259 PolarHBondContact OG-N 3.23Å; D257-K259 HydrophobicContact CB-CG 4.32Å; D257-K259 PolarHBondContact O-N 3.07Å; D257-K259 WeakPolarHBondContact OD1-CB 3.48Å; D257-K259 PolarHBondContact OD1-N 2.8Å; D257-K259 WeakPolarHBondContact OD2-CD 3.5Å; D257-K259 VanDerWaalsContact OD2-CE 3.24Å; D257-K259 WeakPolarHBondContact OD2-CE 3.32Å; D257-K259 WeakPolarHBondContact OD2-CG 3.41Å; D257-K259 IonicContact OD2-NZ 2.72Å; D257-K259 PolarHBondContact OD2-NZ 3.05Å; K259-S299 CarbonylContact O-C 3.59Å
260	L	33.7	Very low	34.8	Very low	35 Å²	35	44.5 Å²	44.5	18%	0.183	22%	0.217	C	C	.	.			trans	-122.3	101.1	-165.7	-69.9	157.8	0	0	0	112.3	L254 S255 C301 M394	L254-L260 WeakPolarHBondContact CA-O 3.39Å; S255-L260 PolarHBondContact N-O 2.79Å; S255-L260 VanDerWaalsContact N-O 3.14Å; S255-L260 WeakPolarHBondContact OG-CB 3.29Å; S255-L260 PolarHBondContact OG-N 2.75Å; L260-C301 HydrophobicContact CD2-CB 3.65Å; L260-M394 HydrophobicContact CD1-CB 4.42Å; L260-M394 HydrophobicContact CD1-CG 4.44Å; L260-M394 HydrophobicContact CD2-CE 3.73Å; L260-M394 HydrophobicContact CD2-CG 4.21Å
261	C	41.2	Very low	34.9	Very low	2 Å²	2	46.1 Å²	46.1	1%	0.014	23%	0.232	C	C	.	.			trans	-92.2	128.9	165.6	-177.5	0	0	0	0	110.7	F239 I251 L254 V300 C301	F239-C261 HydrophobicContact CE1-CB 3.61Å; F239-C261 WeakPolarHBondContact CE1-SG 3.14Å; F239-C261 HydrophobicContact CZ-CB 3.74Å; F239-C261 WeakPolarHBondContact CZ-SG 3.45Å; I251-C261 WeakPolarHBondContact CG2-SG 3.12Å; L254-C261 HydrophobicContact CD2-CB 3.52Å; L254-C261 HydrophobicContact CG-CB 4.45Å; C261-V300 HydrophobicContact CB-CG1 4.12Å; C261-V300 WeakPolarHBondContact O-CG1 3.24Å; C261-C301 CarbonylContact C-O 3.57Å; C261-C301 CarbonylContact O-C 3.47Å; C261-C301 VanDerWaalsContact O-C 3.24Å; C261-C301 PolarHBondContact O-N 2.9Å
262	L	37.2	Very low	35.1	Very low	8 Å²	8	52.6 Å²	52.6	4%	0.042	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-98.7	113.6	171.4	-166.3	87.9	0	0	0	111.9	H252 P264 C301 L303 V360 L369	H252-L262 HydrophobicContact CB-CB 4.45Å; H252-L262 PolarHBondContact N-O 3.47Å; H252-L262 PolarHBondContact O-N 2.73Å; L262-P264 VanDerWaalsContact O-CD 3.26Å; L262-P264 WeakPolarHBondContact O-CD 3.39Å; L262-C301 VanDerWaalsContact CA-O 3.32Å; L262-C301 WeakPolarHBondContact CA-O 3.02Å; L262-C301 WeakPolarHBondContact CD1-O 3.1Å; L262-L303 HydrophobicContact CD1-CB 3.36Å; L262-L303 HydrophobicContact CD1-CD2 4.28Å; L262-L303 HydrophobicContact CD1-CG 4.45Å; L262-L303 HydrophobicContact CD2-CB 4.32Å; L262-L303 HydrophobicContact CD2-CD2 4.1Å; L262-L303 HydrophobicContact CG-CB 3.91Å; L262-V360 HydrophobicContact CD2-CB 4.15Å; L262-V360 HydrophobicContact CD2-CG1 3.54Å; L262-V360 HydrophobicContact CD2-CG2 3.66Å; L262-L369 HydrophobicContact CB-CD1 4.38Å; L262-L369 HydrophobicContact CD1-CD2 3.77Å; L262-L369 HydrophobicContact CD2-CD1 3.94Å; L262-L369 HydrophobicContact CD2-CD2 3.46Å; L262-L369 VanDerWaalsContact CD2-CD2 3.46Å; L262-L369 HydrophobicContact CD2-CG 4.26Å; L262-L369 HydrophobicContact CG-CD2 4.22Å
263	V	42.6	Very low	35.3	Very low	1 Å²	1	58.4 Å²	58.4	1%	0.006	30%	0.296	C	S	.	.			trans	-100	103	168.4	-175	0	0	0	0	108.2	F239 I251 L265 W282 L286 I302 L303	F239-V263 HydrophobicContact CE2-CG2 4.22Å; F239-V263 HydrophobicContact CZ-CG2 4.33Å; I251-V263 HydrophobicContact CD1-CG1 4.09Å; I251-V263 HydrophobicContact CD1-CG2 3.86Å; I251-V263 HydrophobicContact CG1-CB 4.35Å; I251-V263 HydrophobicContact CG1-CG1 4.01Å; I251-V263 HydrophobicContact CG1-CG2 4.07Å; I251-V263 HydrophobicContact CG2-CG2 4.13Å; V263-L265 HydrophobicContact CG1-CD2 3.7Å; V263-L265 HydrophobicContact CG1-CG 4Å; V263-W282 HydrophobicContact CG1-CE3 4.41Å; V263-W282 HydrophobicContact CG1-CZ3 4.07Å; V263-L286 HydrophobicContact CG2-CD2 4.35Å; V263-I302 HydrophobicContact CB-CG2 4.29Å; V263-L303 CarbonylContact O-C 3.34Å; V263-L303 PolarHBondContact O-N 2.87Å; V263-L303 VanDerWaalsContact O-N 3.09Å
264	P	37.7	Very low	35.7	Very low	8 Å²	8	56.1 Å²	56.1	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.8	170.2	28.6	-31.8	0	0	0	111.2	Y249 T250 L262 L303 L358	Y249-P264 WeakPolarHBondContact CD1-O 3.3Å; T250-P264 WeakPolarHBondContact O-CD 3.38Å; T250-P264 WeakPolarHBondContact O-CG 3.45Å; L262-P264 VanDerWaalsContact O-CD 3.26Å; L262-P264 WeakPolarHBondContact O-CD 3.39Å; P264-L303 CarbonylContact C-O 3.06Å; P264-L303 WeakPolarHBondContact CA-O 2.94Å; P264-L358 HydrophobicContact CB-CD2 2.99Å; P264-L358 HydrophobicContact CB-CG 4.39Å; P264-L358 HydrophobicContact CG-CD2 3.58Å
265	L	39.8	Very low	36.1	Very low	8 Å²	8	58.3 Å²	58.3	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	102.6	-179.4	-60.5	168.6	0	0	0	111.3	Y249 V263 C267 F279 W282 I302 L303 I305	Y249-L265 HydrophobicContact CD1-CD2 3.82Å; Y249-L265 HydrophobicContact CE1-CB 4.17Å; Y249-L265 HydrophobicContact CE1-CD2 3.63Å; Y249-L265 HydrophobicContact CE2-CD2 4.4Å; Y249-L265 HydrophobicContact CG-CD2 4.25Å; V263-L265 HydrophobicContact CG1-CD2 3.7Å; V263-L265 HydrophobicContact CG1-CG 4Å; L265-C267 PolarHBondContact O-N 3.35Å; L265-F279 HydrophobicContact CD1-CD1 3.99Å; L265-F279 HydrophobicContact CD1-CE1 3.55Å; L265-W282 HydrophobicContact CD1-CD2 4.16Å; L265-W282 HydrophobicContact CD1-CG 4.48Å; L265-W282 HydrophobicContact CD2-CD2 4Å; L265-W282 HydrophobicContact CD2-CE3 3.91Å; L265-W282 HydrophobicContact CD2-CH2 3.16Å; L265-W282 HydrophobicContact CD2-CZ2 3.24Å; L265-W282 HydrophobicContact CD2-CZ3 3.48Å; L265-W282 VanDerWaalsContact CD2-CZ3 3.48Å; L265-W282 HydrophobicContact CG-CZ2 4.47Å; L265-I302 HydrophobicContact CD1-CG2 3.76Å; L265-I302 HydrophobicContact CG-CG2 4.49Å; L265-L303 PolarHBondContact N-O 3.4Å; L265-I305 CarbonylContact O-C 3.5Å; L265-I305 PolarHBondContact O-N 3.48Å
266	L	36.6	Very low	36.7	Very low	26 Å²	26	61.6 Å²	61.6	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	99.5	167.3	-139.2	150.5	0	0	0	111.6	I305 P354	L266-I305 VanDerWaalsContact CA-O 3.25Å; L266-I305 WeakPolarHBondContact CA-O 3.42Å; L266-P354 HydrophobicContact CD1-CB 3.73Å; L266-P354 HydrophobicContact CD2-CB 3.21Å; L266-P354 HydrophobicContact CD2-CG 3.18Å; L266-P354 HydrophobicContact CG-CB 4.1Å; L266-P354 HydrophobicContact CG-CG 4.48Å
267	C	38.4	Very low	37.6	Very low	23 Å²	23	55.8 Å²	55.8	16%	0.155	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.9	178.2	-170.1	0	0	0	0	110.3	M246 L265 H306	M246-C267 HydrophobicContact SD-CB 4.27Å; L265-C267 PolarHBondContact O-N 3.35Å; C267-H306 HydrophobicContact CB-CB 4.42Å
268	R	35.7	Very low	38.1	Very low	157 Å²	157	60.5 Å²	60.5	59%	0.592	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	107.8	166.6	178.8	179.8	171.2	-178.2	-5.1	107.6	D270	R268-D270 IonicContact CZ-OD1 3.24Å; R268-D270 VanDerWaalsContact CZ-OD1 3.24Å; R268-D270 IonicContact CZ-OD2 3.89Å; R268-D270 IonicContact NE-OD1 2.76Å; R268-D270 PolarHBondContact NE-OD1 3.02Å; R268-D270 IonicContact NE-OD2 3.66Å; R268-D270 IonicContact NH2-OD1 2.87Å; R268-D270 PolarHBondContact NH2-OD1 2.55Å; R268-D270 IonicContact NH2-OD2 3.63Å
269	C	37.6	Very low	38.9	Very low	28 Å²	28	60.2 Å²	60.2	19%	0.189	31%	0.31	C	S	.	.			trans	-95.9	114.3	166	-74.2	0	0	0	0	108.2	A271 A274 P309	C269-A271 PolarHBondContact O-N 3.48Å; C269-A274 HydrophobicContact CB-CB 3.75Å; C269-P309 VanDerWaalsContact O-CG 3.26Å; C269-P309 WeakPolarHBondContact O-CG 3.35Å
270	D	36.6	Very low	39.3	Very low	121 Å²	121	59.7 Å²	59.7	65%	0.647	31%	0.312	S	S	*	.			trans	-78.4	-2.7	170.7	-68.5	-39.7	0	0	0	112.1	R268	R268-D270 IonicContact CZ-OD1 3.24Å; R268-D270 VanDerWaalsContact CZ-OD1 3.24Å; R268-D270 IonicContact CZ-OD2 3.89Å; R268-D270 IonicContact NE-OD1 2.76Å; R268-D270 PolarHBondContact NE-OD1 3.02Å; R268-D270 IonicContact NE-OD2 3.66Å; R268-D270 IonicContact NH2-OD1 2.87Å; R268-D270 PolarHBondContact NH2-OD1 2.55Å; R268-D270 IonicContact NH2-OD2 3.63Å
271	A	33.8	Very low	39.8	Very low	50 Å²	50	61.6 Å²	61.6	41%	0.413	33%	0.328	S	S	.	.	S	Bend	trans	-82.6	136.4	175.5	0	0	0	0	0	111.4	C269 D273	C269-A271 PolarHBondContact O-N 3.48Å; A271-D273 VanDerWaalsContact C-N 3.26Å; A271-D273 PolarHBondContact O-N 3.33Å
272	M	35.6	Very low	40	Very low	139 Å²	139	62.3 Å²	62.3	69%	0.685	33%	0.331	S	S	*	.	S	Bend	trans	-55.2	-38.6	-179.1	-71.2	-86.9	-93.1	0	0	112.4	S310	M272-S310 VanDerWaalsContact C-OG 3.3Å; M272-S310 WeakPolarHBondContact CA-OG 3.39Å; M272-S310 WeakPolarHBondContact O-CB 2.72Å; M272-S310 PolarHBondContact O-OG 3.43Å
273	D	38.2	Very low	40.4	Very low	139 Å²	139	62.1 Å²	62.1	74%	0.743	33%	0.33	S	S	*	.	S	Bend	trans	-103.8	100.7	167.9	-61.9	-45.9	0	0	0	106.7	A271 P275	A271-D273 VanDerWaalsContact C-N 3.26Å; A271-D273 PolarHBondContact O-N 3.33Å; D273-P275 WeakPolarHBondContact O-CD 3.48Å
274	A	37.4	Very low	40.3	Very low	20 Å²	20	65.3 Å²	65.3	17%	0.165	35%	0.349	C	S	.	.			trans	-61.6	109.2	169.6	0	0	0	0	0	106.8	C269	C269-A274 HydrophobicContact CB-CB 3.75Å
275	P	37.9	Very low	40.5	Very low	76 Å²	76	65.1 Å²	65.1	49%	0.494	35%	0.348	S	S	.	.			trans	-59	152.8	172.6	26.9	-32.2	0	0	0	107.4	D273 P277	D273-P275 WeakPolarHBondContact O-CD 3.48Å; P275-P277 VanDerWaalsContact O-N 3.12Å
276	E	44.5	Very low	40.7	Very low	94 Å²	94	65.3 Å²	65.3	44%	0.439	35%	0.349	S	S	.	.	S	Bend	trans	-40.2	129.2	162.5	-78	-174.2	155.7	0	0	108.3	K278 R336	E276-K278 PolarHBondContact O-N 3.29Å; E276-K278 VanDerWaalsContact O-N 3.1Å; E276-R336 IonicContact OE1-CZ 3.9Å; E276-R336 IonicContact OE1-NE 3.69Å; E276-R336 IonicContact OE1-NH2 2.73Å; E276-R336 PolarHBondContact OE1-NH2 2.85Å
277	P	44.9	Very low	40.8	Very low	34 Å²	34	65.5 Å²	65.5	22%	0.221	35%	0.353	C	S	.	.			trans	-52	131	-176.6	-20.5	27.2	0	0	0	107.9	P275 F279	P275-P277 VanDerWaalsContact O-N 3.12Å; P277-F279 HydrophobicContact CB-CD1 4.05Å; P277-F279 HydrophobicContact CB-CD2 3.87Å; P277-F279 HydrophobicContact CB-CE1 3.61Å; P277-F279 HydrophobicContact CB-CE2 3.41Å; P277-F279 VanDerWaalsContact CB-CE2 3.41Å; P277-F279 HydrophobicContact CB-CG 4.2Å; P277-F279 HydrophobicContact CB-CZ 3.31Å; P277-F279 VanDerWaalsContact CD-CE2 3.47Å; P277-F279 HydrophobicContact CG-CD2 4.38Å; P277-F279 HydrophobicContact CG-CE1 4Å; P277-F279 HydrophobicContact CG-CE2 3.46Å; P277-F279 VanDerWaalsContact CG-CE2 3.46Å; P277-F279 HydrophobicContact CG-CZ 3.27Å; P277-F279 WeakPolarHBondContact O-CD2 3.48Å; P277-F279 WeakPolarHBondContact O-CE2 3.01Å; P277-F279 WeakPolarHBondContact O-CG 3.45Å; P277-F279 PolarHBondContact O-N 3.14Å
278	K	43.3	Very low	40.7	Very low	178 Å²	178	70.8 Å²	70.8	77%	0.774	38%	0.375	S	S	*	.			trans	-71.3	79.7	179.5	-75.2	-173.7	177.3	-179.5	0	108.5	E276 N280 S281	E276-K278 PolarHBondContact O-N 3.29Å; E276-K278 VanDerWaalsContact O-N 3.1Å; K278-N280 PolarHBondContact O-N 2.91Å; K278-S281 PolarHBondContact O-OG 3.35Å; K278-S281 VanDerWaalsContact O-OG 3.12Å
279	F	47.5	Very low	40.8	Very low	9 Å²	9	63.7 Å²	63.7	4%	0.039	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6	-172.9	-63.9	-76.6	0	0	0	114.1	L265 P277 S281 W282 F283 I302 M319	L265-F279 HydrophobicContact CD1-CD1 3.99Å; L265-F279 HydrophobicContact CD1-CE1 3.55Å; P277-F279 HydrophobicContact CB-CD1 4.05Å; P277-F279 HydrophobicContact CB-CD2 3.87Å; P277-F279 HydrophobicContact CB-CE1 3.61Å; P277-F279 HydrophobicContact CB-CE2 3.41Å; P277-F279 VanDerWaalsContact CB-CE2 3.41Å; P277-F279 HydrophobicContact CB-CG 4.2Å; P277-F279 HydrophobicContact CB-CZ 3.31Å; P277-F279 VanDerWaalsContact CD-CE2 3.47Å; P277-F279 HydrophobicContact CG-CD2 4.38Å; P277-F279 HydrophobicContact CG-CE1 4Å; P277-F279 HydrophobicContact CG-CE2 3.46Å; P277-F279 VanDerWaalsContact CG-CE2 3.46Å; P277-F279 HydrophobicContact CG-CZ 3.27Å; P277-F279 WeakPolarHBondContact O-CD2 3.48Å; P277-F279 WeakPolarHBondContact O-CE2 3.01Å; P277-F279 WeakPolarHBondContact O-CG 3.45Å; P277-F279 PolarHBondContact O-N 3.14Å; F279-S281 PolarHBondContact O-N 3.41Å; F279-W282 HydrophobicContact CD1-CG 4.5Å; F279-W282 WeakPolarHBondContact O-CA 3.09Å; F279-W282 VanDerWaalsContact O-CB 3.29Å; F279-W282 WeakPolarHBondContact O-CB 3.05Å; F279-W282 PolarHBondContact O-N 2.85Å; F279-F283 HydrophobicContact CB-CD2 4.48Å; F279-F283 HydrophobicContact CB-CE2 4.12Å; F279-F283 VanDerWaalsContact O-CD2 3.28Å; F279-F283 WeakPolarHBondContact O-CD2 3.2Å; F279-F283 PolarHBondContact O-N 2.75Å; F279-I302 HydrophobicContact CE1-CG2 4.47Å; F279-M319 HydrophobicContact CD1-SD 4.27Å; F279-M319 HydrophobicContact CD2-CE 3.39Å; F279-M319 HydrophobicContact CD2-SD 3.29Å; F279-M319 WeakPolarHBondContact CD2-SD 3.39Å; F279-M319 HydrophobicContact CE1-SD 4.16Å; F279-M319 HydrophobicContact CE2-CE 3.45Å; F279-M319 VanDerWaalsContact CE2-CE 3.45Å; F279-M319 HydrophobicContact CE2-SD 3.16Å; F279-M319 WeakPolarHBondContact CE2-SD 3.42Å; F279-M319 HydrophobicContact CG-CE 4.35Å; F279-M319 HydrophobicContact CG-SD 3.84Å; F279-M319 HydrophobicContact CZ-CE 4.43Å; F279-M319 HydrophobicContact CZ-SD 3.6Å; F279-M319 VanDerWaalsContact CZ-SD 3.6Å
280	N	44.4	Very low	40.7	Very low	98 Å²	98	63.2 Å²	63.2	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-56.3	-39.1	175.5	-68.5	0	0	0	0	112.1	K278 W282 F283 T284 V329	K278-N280 PolarHBondContact O-N 2.91Å; N280-W282 PolarHBondContact O-N 2.77Å; N280-F283 PolarHBondContact O-N 2.99Å; N280-T284 PolarHBondContact O-N 2.81Å; N280-T284 VanDerWaalsContact O-N 3.1Å; N280-T284 PolarHBondContact O-OG1 3.37Å; N280-T284 VanDerWaalsContact O-OG1 3.05Å; N280-V329 HydrophobicContact CB-CG1 4.22Å; N280-V329 VanDerWaalsContact OD1-CG1 3.23Å; N280-V329 WeakPolarHBondContact OD1-CG1 3.32Å
281	S	44.1	Very low	40.6	Very low	75 Å²	75	65.5 Å²	65.5	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-64.6	-30	174.9	52.5	0	0	0	0	112.8	K278 F279 T284 A285	K278-S281 PolarHBondContact O-OG 3.35Å; K278-S281 VanDerWaalsContact O-OG 3.12Å; F279-S281 PolarHBondContact O-N 3.41Å; S281-T284 WeakPolarHBondContact O-CB 3.27Å; S281-A285 PolarHBondContact O-N 3.19Å
282	W	45.9	Very low	40.6	Very low	17 Å²	17	69.7 Å²	69.7	6%	0.064	36%	0.362	C	S	.	.	H	α-helix	trans	-76.1	-40.1	177	-72.9	90.7	0	0	0	112.6	L241 V243 M246 Y249 V263 L265 F279 N280 T284 A285 L286	L241-W282 HydrophobicContact CD2-CE3 3.76Å; L241-W282 HydrophobicContact CD2-CH2 3.88Å; L241-W282 HydrophobicContact CD2-CZ3 3.18Å; L241-W282 HydrophobicContact CG-CZ3 4.49Å; V243-W282 HydrophobicContact CG2-CH2 3.94Å; V243-W282 HydrophobicContact CG2-CZ2 4.35Å; V243-W282 HydrophobicContact CG2-CZ3 4.48Å; M246-W282 HydrophobicContact CE-CZ2 3.71Å; Y249-W282 AromaticContact CD2-CH2 3.61Å; Y249-W282 HydrophobicContact CD2-CH2 3.61Å; Y249-W282 HydrophobicContact CD2-CZ2 4.32Å; Y249-W282 AromaticContact CE2-CH2 3.41Å; Y249-W282 HydrophobicContact CE2-CH2 3.41Å; Y249-W282 VanDerWaalsContact CE2-CH2 3.41Å; Y249-W282 AromaticContact CE2-CZ2 3.66Å; Y249-W282 HydrophobicContact CE2-CZ2 3.66Å; Y249-W282 HydrophobicContact CG-CH2 4.23Å; Y249-W282 AromaticContact CZ-CH2 3.9Å; Y249-W282 AromaticContact CZ-CZ2 3.82Å; V263-W282 HydrophobicContact CG1-CE3 4.41Å; V263-W282 HydrophobicContact CG1-CZ3 4.07Å; L265-W282 HydrophobicContact CD1-CD2 4.16Å; L265-W282 HydrophobicContact CD1-CG 4.48Å; L265-W282 HydrophobicContact CD2-CD2 4Å; L265-W282 HydrophobicContact CD2-CE3 3.91Å; L265-W282 HydrophobicContact CD2-CH2 3.16Å; L265-W282 HydrophobicContact CD2-CZ2 3.24Å; L265-W282 HydrophobicContact CD2-CZ3 3.48Å; L265-W282 VanDerWaalsContact CD2-CZ3 3.48Å; L265-W282 HydrophobicContact CG-CZ2 4.47Å; F279-W282 HydrophobicContact CD1-CG 4.5Å; F279-W282 WeakPolarHBondContact O-CA 3.09Å; F279-W282 VanDerWaalsContact O-CB 3.29Å; F279-W282 WeakPolarHBondContact O-CB 3.05Å; F279-W282 PolarHBondContact O-N 2.85Å; N280-W282 PolarHBondContact O-N 2.77Å; W282-T284 VanDerWaalsContact C-N 3.27Å; W282-T284 PolarHBondContact O-N 3.04Å; W282-A285 CarbonylContact O-C 3.46Å; W282-A285 WeakPolarHBondContact O-CB 3.19Å; W282-A285 PolarHBondContact O-N 3.26Å; W282-A285 VanDerWaalsContact O-N 3.14Å; W282-L286 WeakPolarHBondContact O-CB 3.38Å; W282-L286 WeakPolarHBondContact O-CG 3.28Å; W282-L286 PolarHBondContact O-N 3.17Å
283	F	45.2	Very low	40.5	Very low	4 Å²	4	67 Å²	67	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-39.9	171.9	-70.3	-57.9	0	0	0	111.3	F279 N280 L286 S287 I302 T321 I328 V329	F279-F283 HydrophobicContact CB-CD2 4.48Å; F279-F283 HydrophobicContact CB-CE2 4.12Å; F279-F283 VanDerWaalsContact O-CD2 3.28Å; F279-F283 WeakPolarHBondContact O-CD2 3.2Å; F279-F283 PolarHBondContact O-N 2.75Å; N280-F283 PolarHBondContact O-N 2.99Å; F283-L286 PolarHBondContact O-N 3.24Å; F283-S287 WeakPolarHBondContact O-CB 3.08Å; F283-S287 PolarHBondContact O-N 3.49Å; F283-S287 PolarHBondContact O-OG 2.66Å; F283-S287 VanDerWaalsContact O-OG 3.08Å; F283-I302 HydrophobicContact CE1-CD1 4.22Å; F283-T321 HydrophobicContact CE1-CG2 3.6Å; F283-T321 HydrophobicContact CZ-CG2 4.26Å; F283-I328 HydrophobicContact CD1-CB 3.85Å; F283-I328 HydrophobicContact CD1-CG2 3.27Å; F283-I328 HydrophobicContact CE1-CB 4.3Å; F283-I328 HydrophobicContact CE1-CG2 3.31Å; F283-I328 HydrophobicContact CG-CB 4.46Å; F283-I328 HydrophobicContact CG-CG2 4.27Å; F283-I328 HydrophobicContact CZ-CG2 4.3Å; F283-V329 HydrophobicContact CB-CG2 3.83Å; F283-V329 HydrophobicContact CD2-CB 4.48Å; F283-V329 HydrophobicContact CD2-CG1 4.43Å; F283-V329 HydrophobicContact CD2-CG2 4.46Å; F283-V329 HydrophobicContact CG-CG2 4.34Å
284	T	40.9	Very low	40.4	Very low	68 Å²	68	64.7 Å²	64.7	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-50.3	170.3	-55.5	0	0	0	0	110.4	N280 S281 W282 L286 S287 H288	N280-T284 PolarHBondContact O-N 2.81Å; N280-T284 VanDerWaalsContact O-N 3.1Å; N280-T284 PolarHBondContact O-OG1 3.37Å; N280-T284 VanDerWaalsContact O-OG1 3.05Å; S281-T284 WeakPolarHBondContact O-CB 3.27Å; W282-T284 VanDerWaalsContact C-N 3.27Å; W282-T284 PolarHBondContact O-N 3.04Å; T284-L286 PolarHBondContact O-N 3.35Å; T284-S287 WeakPolarHBondContact CA-OG 2.84Å; T284-S287 PolarHBondContact O-N 3.14Å; T284-S287 PolarHBondContact O-OG 3.42Å; T284-H288 WeakPolarHBondContact CG2-NE2 3.03Å; T284-H288 PolarHBondContact O-CD2 2.79Å; T284-H288 PolarHBondContact O-N 2.71Å
285	A	42.7	Very low	40.5	Very low	4 Å²	4	66.7 Å²	66.7	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-48.5	178.2	0	0	0	0	0	113.4	I225 L241 S281 W282 S287 H288 C289	I225-A285 HydrophobicContact CD1-CB 4.25Å; L241-A285 HydrophobicContact CD1-CB 4.02Å; L241-A285 HydrophobicContact CD2-CB 3.87Å; S281-A285 PolarHBondContact O-N 3.19Å; W282-A285 CarbonylContact O-C 3.46Å; W282-A285 WeakPolarHBondContact O-CB 3.19Å; W282-A285 PolarHBondContact O-N 3.26Å; W282-A285 VanDerWaalsContact O-N 3.14Å; A285-S287 PolarHBondContact O-N 2.87Å; A285-H288 PolarHBondContact O-N 3.01Å; A285-C289 PolarHBondContact O-N 3.34Å; A285-C289 VanDerWaalsContact O-N 3.09Å; A285-C289 PolarHBondContact O-SG 3.46Å
286	L	42.8	Very low	40.7	Very low	11 Å²	11	65.1 Å²	65.1	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-41.6	176.1	-72.8	172.1	0	0	0	112	F239 V263 W282 F283 T284 H288 C289 S290 I302	F239-L286 HydrophobicContact CD2-CD2 4.41Å; F239-L286 HydrophobicContact CE2-CD2 3.33Å; F239-L286 HydrophobicContact CZ-CD2 3.56Å; V263-L286 HydrophobicContact CG2-CD2 4.35Å; W282-L286 WeakPolarHBondContact O-CB 3.38Å; W282-L286 WeakPolarHBondContact O-CG 3.28Å; W282-L286 PolarHBondContact O-N 3.17Å; F283-L286 PolarHBondContact O-N 3.24Å; T284-L286 PolarHBondContact O-N 3.35Å; L286-H288 VanDerWaalsContact C-N 3.27Å; L286-H288 PolarHBondContact O-N 2.87Å; L286-C289 PolarHBondContact O-N 3.29Å; L286-C289 VanDerWaalsContact O-N 3.13Å; L286-S290 PolarHBondContact O-N 2.81Å; L286-I302 HydrophobicContact CD1-CD1 3.97Å
287	S	40	Very low	40.6	Very low	31 Å²	31	63.6 Å²	63.6	22%	0.217	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-28.1	178.1	73.3	0	0	0	0	112.9	F283 T284 A285 S290	F283-S287 WeakPolarHBondContact O-CB 3.08Å; F283-S287 PolarHBondContact O-N 3.49Å; F283-S287 PolarHBondContact O-OG 2.66Å; F283-S287 VanDerWaalsContact O-OG 3.08Å; T284-S287 WeakPolarHBondContact CA-OG 2.84Å; T284-S287 PolarHBondContact O-N 3.14Å; T284-S287 PolarHBondContact O-OG 3.42Å; A285-S287 PolarHBondContact O-N 2.87Å; S287-S290 PolarHBondContact O-OG 2.75Å
288	H	36.3	Very low	40.9	Very low	133 Å²	133	65.9 Å²	65.9	62%	0.616	36%	0.357	S	S	*	.	H	α-helix	trans	-75.9	-30.4	171.5	-73.9	-59.2	0	0	0	112.4	T284 A285 L286	T284-H288 WeakPolarHBondContact CG2-NE2 3.03Å; T284-H288 PolarHBondContact O-CD2 2.79Å; T284-H288 PolarHBondContact O-N 2.71Å; A285-H288 PolarHBondContact O-N 3.01Å; L286-H288 VanDerWaalsContact C-N 3.27Å; L286-H288 PolarHBondContact O-N 2.87Å
289	C	37.1	Very low	41.4	Very low	9 Å²	9	57.7 Å²	57.7	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-74.9	-33.7	176.9	-65.2	0	0	0	0	112.9	F229 L241 A285 L286 E291	F229-C289 WeakPolarHBondContact CE1-O 2.75Å; F229-C289 HydrophobicContact CZ-CB 4.44Å; F229-C289 WeakPolarHBondContact CZ-O 3.09Å; L241-C289 WeakPolarHBondContact CD1-SG 3.05Å; A285-C289 PolarHBondContact O-N 3.34Å; A285-C289 VanDerWaalsContact O-N 3.09Å; A285-C289 PolarHBondContact O-SG 3.46Å; L286-C289 PolarHBondContact O-N 3.29Å; L286-C289 VanDerWaalsContact O-N 3.13Å; C289-E291 PolarHBondContact O-N 3.35Å
290	S	34.6	Very low	41.8	Very low	17 Å²	17	57.7 Å²	57.7	12%	0.119	32%	0.323	C	S	.	.	S	Bend	trans	-81.1	107.2	167.3	64.2	0	0	0	0	107.6	L286 S287 K292 L296	L286-S290 PolarHBondContact O-N 2.81Å; S287-S290 PolarHBondContact O-OG 2.75Å; S290-K292 CarbonylContact O-C 3.55Å; S290-K292 VanDerWaalsContact O-C 3.3Å; S290-K292 WeakPolarHBondContact O-CA 3.31Å; S290-K292 PolarHBondContact O-N 3.21Å; S290-K292 PolarHBondContact OG-O 2.56Å; S290-L296 WeakPolarHBondContact OG-CD1 3.3Å
291	E	34.6	Very low	42.3	Very low	169 Å²	169	53.2 Å²	53.2	79%	0.79	30%	0.3	S	S	*	.	S	Bend	trans	-53.5	-5.5	179.3	-75	-171.6	158.1	0	0	114.5	C289	C289-E291 PolarHBondContact O-N 3.35Å
292	K	34.3	Very low	42.9	Very low	138 Å²	138	49.8 Å²	49.8	60%	0.6	28%	0.275	S	S	*	.			trans	-133.5	117.6	162.5	-66	174.4	-176.6	172.1	0	109.3	S290 S294 S295	S290-K292 CarbonylContact O-C 3.55Å; S290-K292 VanDerWaalsContact O-C 3.3Å; S290-K292 WeakPolarHBondContact O-CA 3.31Å; S290-K292 PolarHBondContact O-N 3.21Å; S290-K292 PolarHBondContact OG-O 2.56Å; K292-S294 PolarHBondContact O-N 2.74Å; K292-S294 VanDerWaalsContact O-N 3.08Å; K292-S295 WeakPolarHBondContact O-CB 3.14Å; K292-S295 PolarHBondContact O-N 3.02Å; K292-S295 PolarHBondContact O-OG 3.46Å
293	P	34.4	Very low	43.4	Very low	84 Å²	84	49 Å²	49	55%	0.545	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-55.1	-27.9	168.6	-23.3	32.2	0	0	0	112.3	S295 L296	P293-S295 VanDerWaalsContact C-N 3.28Å; P293-S295 PolarHBondContact O-N 2.92Å; P293-L296 PolarHBondContact O-N 3.01Å
294	S	36.6	Very low	44	Very low	89 Å²	89	48.9 Å²	48.9	62%	0.622	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-72.9	-11.8	174.2	53	0	0	0	0	114.8	K292	K292-S294 PolarHBondContact O-N 2.74Å; K292-S294 VanDerWaalsContact O-N 3.08Å
295	S	39.4	Very low	44.7	Very low	63 Å²	63	45.8 Å²	45.8	44%	0.441	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-82.9	-20.7	174.6	67.6	0	0	0	0	113.3	K292 P293 S297	K292-S295 WeakPolarHBondContact O-CB 3.14Å; K292-S295 PolarHBondContact O-N 3.02Å; K292-S295 PolarHBondContact O-OG 3.46Å; P293-S295 VanDerWaalsContact C-N 3.28Å; P293-S295 PolarHBondContact O-N 2.92Å; S295-S297 PolarHBondContact O-N 2.72Å
296	L	40.3	Very low	45.3	Very low	42 Å²	42	46.5 Å²	46.5	22%	0.22	26%	0.256	C	S	.	.			trans	-75	47.9	165.8	-70.5	169.2	0	0	0	110.9	S290 P293 Q298 V300 I328	S290-L296 WeakPolarHBondContact OG-CD1 3.3Å; P293-L296 PolarHBondContact O-N 3.01Å; L296-Q298 PolarHBondContact O-N 3.1Å; L296-V300 HydrophobicContact CD2-CG2 3.94Å; L296-I328 HydrophobicContact CB-CD1 3.78Å; L296-I328 HydrophobicContact CD1-CD1 3.41Å; L296-I328 VanDerWaalsContact CD1-CD1 3.41Å; L296-I328 HydrophobicContact CG-CD1 4.23Å
297	S	43.9	Very low	45.8	Very low	63 Å²	63	47.7 Å²	47.7	44%	0.441	26%	0.261	S	S	.	.			trans	-66.2	6.3	168.7	57	0	0	0	0	113	S295	S295-S297 PolarHBondContact O-N 2.72Å
298	Q	51.1	Low	46.4	Very low	82 Å²	82	47.9 Å²	47.9	38%	0.383	26%	0.259	S	S	.	.	S	Bend	trans	-126.8	141.8	-166.9	-60.6	178.7	-11.4	0	0	111.4	G258 L296 V300	G258-Q298 PolarHBondContact O-OE1 2.85Å; L296-Q298 PolarHBondContact O-N 3.1Å; Q298-V300 PolarHBondContact O-N 3.02Å; Q298-V300 VanDerWaalsContact O-N 3.1Å
299	S	53.5	Low	47.1	Very low	5 Å²	5	43.8 Å²	43.8	4%	0.035	24%	0.244	C	C	.	.			trans	-64	96	-179.2	-70.1	0	0	0	0	114.2	K259 R320 T321 D323	K259-S299 CarbonylContact O-C 3.59Å; S299-R320 PolarHBondContact OG-NE 3.09Å; S299-R320 PolarHBondContact OG-NH2 3.29Å; S299-T321 VanDerWaalsContact CA-O 3.31Å; S299-T321 WeakPolarHBondContact CA-O 3.34Å; S299-T321 VanDerWaalsContact CB-O 3.29Å; S299-T321 WeakPolarHBondContact CB-O 3.34Å; S299-T321 PolarHBondContact OG-O 3.1Å; S299-T321 VanDerWaalsContact OG-O 3.05Å; S299-D323 WeakPolarHBondContact CA-OD1 3.48Å; S299-D323 VanDerWaalsContact CB-OD1 3.25Å; S299-D323 WeakPolarHBondContact CB-OD1 3.39Å; S299-D323 PolarHBondContact N-OD1 2.7Å; S299-D323 PolarHBondContact OG-OD1 2.76Å; S299-D323 PolarHBondContact OG-OD2 3.35Å
300	V	55.4	Low	48	Very low	10 Å²	10	46.2 Å²	46.2	6%	0.061	26%	0.262	C	S	.	.			trans	-71.6	138.4	171.3	178.8	0	0	0	0	110.7	C261 L296 Q298 I302 R320 T321	C261-V300 HydrophobicContact CB-CG1 4.12Å; C261-V300 WeakPolarHBondContact O-CG1 3.24Å; L296-V300 HydrophobicContact CD2-CG2 3.94Å; Q298-V300 PolarHBondContact O-N 3.02Å; Q298-V300 VanDerWaalsContact O-N 3.1Å; V300-I302 HydrophobicContact CG1-CG1 4.09Å; V300-R320 CarbonylContact O-C 3.51Å; V300-R320 VanDerWaalsContact O-CA 3.3Å; V300-R320 WeakPolarHBondContact O-CA 3.42Å; V300-T321 HydrophobicContact CB-CG2 4.06Å; V300-T321 PolarHBondContact N-OG1 3.35Å; V300-T321 PolarHBondContact O-N 3.39Å
301	C	55	Low	49	Very low	4 Å²	4	47.4 Å²	47.4	3%	0.027	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	102.3	174.8	-174.6	0	0	0	0	112.9	L260 C261 L262 M319 M394	L260-C301 HydrophobicContact CD2-CB 3.65Å; C261-C301 CarbonylContact C-O 3.57Å; C261-C301 CarbonylContact O-C 3.47Å; C261-C301 VanDerWaalsContact O-C 3.24Å; C261-C301 PolarHBondContact O-N 2.9Å; L262-C301 VanDerWaalsContact CA-O 3.32Å; L262-C301 WeakPolarHBondContact CA-O 3.02Å; L262-C301 WeakPolarHBondContact CD1-O 3.1Å; C301-M319 CarbonylContact C-O 3.51Å; C301-M319 WeakPolarHBondContact CA-O 3.35Å; C301-M394 HydrophobicContact CB-CE 3.49Å; C301-M394 VanDerWaalsContact CB-CE 3.49Å; C301-M394 HydrophobicContact CB-SD 4.12Å; C301-M394 WeakPolarHBondContact SG-CE 3.39Å; C301-M394 PolarHBondContact SG-SD 3.15Å
302	I	57.9	Low	49.9	Very low	2 Å²	2	41.3 Å²	41.3	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.7	179.9	-57.6	171.8	0	0	0	109.8	V263 L265 F279 F283 L286 V300 L318 M319	V263-I302 HydrophobicContact CB-CG2 4.29Å; L265-I302 HydrophobicContact CD1-CG2 3.76Å; L265-I302 HydrophobicContact CG-CG2 4.49Å; F279-I302 HydrophobicContact CE1-CG2 4.47Å; F283-I302 HydrophobicContact CE1-CD1 4.22Å; L286-I302 HydrophobicContact CD1-CD1 3.97Å; V300-I302 HydrophobicContact CG1-CG1 4.09Å; I302-L318 CarbonylContact O-C 3.43Å; I302-L318 VanDerWaalsContact O-CA 3.29Å; I302-L318 WeakPolarHBondContact O-CA 3.29Å; I302-M319 HydrophobicContact CB-CB 4.35Å; I302-M319 PolarHBondContact N-O 3.09Å; I302-M319 PolarHBondContact O-N 3.35Å
303	L	55.9	Low	50.9	Low	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	99.3	171.4	169.8	61.9	0	0	0	109.8	L262 V263 P264 L265 I305 C317 L318 F337 F371	L262-L303 HydrophobicContact CD1-CB 3.36Å; L262-L303 HydrophobicContact CD1-CD2 4.28Å; L262-L303 HydrophobicContact CD1-CG 4.45Å; L262-L303 HydrophobicContact CD2-CB 4.32Å; L262-L303 HydrophobicContact CD2-CD2 4.1Å; L262-L303 HydrophobicContact CG-CB 3.91Å; V263-L303 CarbonylContact O-C 3.34Å; V263-L303 PolarHBondContact O-N 2.87Å; V263-L303 VanDerWaalsContact O-N 3.09Å; P264-L303 CarbonylContact C-O 3.06Å; P264-L303 WeakPolarHBondContact CA-O 2.94Å; L265-L303 PolarHBondContact N-O 3.4Å; L303-I305 HydrophobicContact CD1-CG1 4.06Å; L303-I305 HydrophobicContact CD2-CD1 4.14Å; L303-I305 HydrophobicContact CD2-CG1 4.45Å; L303-I305 HydrophobicContact CG-CD1 4.26Å; L303-I305 HydrophobicContact CG-CG1 4.02Å; L303-C317 CarbonylContact C-O 3.5Å; L303-C317 WeakPolarHBondContact CA-O 2.77Å; L303-L318 HydrophobicContact CB-CD2 3.97Å; L303-L318 HydrophobicContact CD1-CD2 3.81Å; L303-L318 HydrophobicContact CD1-CG 4.13Å; L303-L318 HydrophobicContact CG-CD2 4.41Å; L303-F337 HydrophobicContact CD1-CE1 3.88Å; L303-F337 HydrophobicContact CD1-CZ 3.66Å; L303-F371 HydrophobicContact CD2-CB 4.49Å; L303-F371 HydrophobicContact CD2-CD1 3.74Å; L303-F371 HydrophobicContact CD2-CD2 4.26Å; L303-F371 HydrophobicContact CD2-CE1 3.96Å; L303-F371 HydrophobicContact CD2-CE2 4.47Å; L303-F371 HydrophobicContact CD2-CG 3.9Å; L303-F371 HydrophobicContact CD2-CZ 4.32Å
304	G	57.1	Low	52	Low	3 Å²	3	32.5 Å²	32.5	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.8	164.5	0	0	0	0	0	111.7	G316 C317	G304-G316 CarbonylContact O-C 3.54Å; G304-G316 VanDerWaalsContact O-CA 3.22Å; G304-G316 WeakPolarHBondContact O-CA 3.42Å; G304-C317 PolarHBondContact N-O 3.22Å; G304-C317 PolarHBondContact O-N 2.68Å
305	I	55.2	Low	53	Low	3 Å²	3	28.8 Å²	28.8	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	105.7	169.5	-60.4	179.9	0	0	0	106.9	L265 L266 L303 L314 V315 F339 L358 F371 V373	L265-I305 CarbonylContact O-C 3.5Å; L265-I305 PolarHBondContact O-N 3.48Å; L266-I305 VanDerWaalsContact CA-O 3.25Å; L266-I305 WeakPolarHBondContact CA-O 3.42Å; L303-I305 HydrophobicContact CD1-CG1 4.06Å; L303-I305 HydrophobicContact CD2-CD1 4.14Å; L303-I305 HydrophobicContact CD2-CG1 4.45Å; L303-I305 HydrophobicContact CG-CD1 4.26Å; L303-I305 HydrophobicContact CG-CG1 4.02Å; I305-L314 HydrophobicContact CG2-CD1 3.74Å; I305-L314 HydrophobicContact CG2-CD2 3.62Å; I305-L314 HydrophobicContact CG2-CG 3.61Å; I305-V315 CarbonylContact C-O 3.49Å; I305-V315 WeakPolarHBondContact CA-O 3.17Å; I305-F339 HydrophobicContact CD1-CZ 4.22Å; I305-F339 HydrophobicContact CG1-CZ 4.4Å; I305-F339 HydrophobicContact CG2-CE2 3.96Å; I305-F339 HydrophobicContact CG2-CZ 4.13Å; I305-L358 HydrophobicContact CD1-CD1 3.78Å; I305-L358 HydrophobicContact CD1-CD2 4.49Å; I305-F371 HydrophobicContact CD1-CD2 4.01Å; I305-F371 HydrophobicContact CD1-CE2 3.75Å; I305-V373 HydrophobicContact CD1-CG2 3.55Å; I305-V373 HydrophobicContact CG2-CG2 4.46Å
306	H	56.8	Low	54.1	Low	18 Å²	18	25.8 Å²	25.8	8%	0.083	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156.5	179.6	63.3	-76.8	0	0	0	111	C267 L314 V315	C267-H306 HydrophobicContact CB-CB 4.42Å; H306-L314 CarbonylContact O-C 3.54Å; H306-L314 WeakPolarHBondContact O-CA 3.04Å; H306-V315 WeakPolarHBondContact CE1-CB 3.31Å; H306-V315 WeakPolarHBondContact CE1-CG1 3.25Å; H306-V315 PolarHBondContact N-O 3.04Å; H306-V315 PolarHBondContact ND1-O 3.37Å; H306-V315 WeakPolarHBondContact NE2-CB 3.16Å; H306-V315 PolarHBondContact O-N 3.39Å
307	F	52.1	Low	55.1	Low	37 Å²	37	24.1 Å²	24.1	16%	0.162	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.4	167	179.2	-107.5	0	0	0	108.7	P309 Y347	F307-P309 HydrophobicContact CD1-CG 4.28Å; F307-P309 HydrophobicContact CE1-CB 4.24Å; F307-P309 HydrophobicContact CE1-CG 4.28Å; F307-P309 WeakPolarHBondContact O-CD 3.39Å; F307-Y347 HydrophobicContact CE2-CD1 4.28Å; F307-Y347 AromaticContact CE2-CE1 3.53Å; F307-Y347 HydrophobicContact CE2-CE1 3.53Å; F307-Y347 AromaticContact CZ-CD1 3.98Å; F307-Y347 HydrophobicContact CZ-CD1 3.98Å; F307-Y347 AromaticContact CZ-CE1 3.66Å; F307-Y347 HydrophobicContact CZ-CE1 3.66Å
308	N	52.9	Low	55.8	Low	35 Å²	35	21.1 Å²	21.1	19%	0.187	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.3	170.2	-176.2	-20.3	0	0	0	109.1	S310 S311 I312 E313 V315	N308-S310 VanDerWaalsContact C-N 3.3Å; N308-S310 PolarHBondContact O-N 2.63Å; N308-S310 WeakPolarHBondContact OD1-CB 3.38Å; N308-S310 PolarHBondContact OD1-N 2.84Å; N308-S311 WeakPolarHBondContact CB-OG 3.06Å; N308-S311 PolarHBondContact OD1-N 3.08Å; N308-I312 WeakPolarHBondContact O-CA 3.01Å; N308-I312 PolarHBondContact O-N 3.09Å; N308-E313 PolarHBondContact N-O 3.28Å; N308-E313 PolarHBondContact O-N 3.44Å; N308-V315 HydrophobicContact CB-CG2 4.05Å
309	P	50.6	Low	56.2	Low	46 Å²	46	17.3 Å²	17.3	30%	0.299	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.4	178.5	-20.2	31.8	0	0	0	113.5	C269 F307	C269-P309 VanDerWaalsContact O-CG 3.26Å; C269-P309 WeakPolarHBondContact O-CG 3.35Å; F307-P309 HydrophobicContact CD1-CG 4.28Å; F307-P309 HydrophobicContact CE1-CB 4.24Å; F307-P309 HydrophobicContact CE1-CG 4.28Å; F307-P309 WeakPolarHBondContact O-CD 3.39Å
310	S	55.6	Low	56.6	Low	61 Å²	61	20 Å²	20	43%	0.427	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-41.1	-174.5	-66.6	0	0	0	0	113.4	M272 N308	M272-S310 VanDerWaalsContact C-OG 3.3Å; M272-S310 WeakPolarHBondContact CA-OG 3.39Å; M272-S310 WeakPolarHBondContact O-CB 2.72Å; M272-S310 PolarHBondContact O-OG 3.43Å; N308-S310 VanDerWaalsContact C-N 3.3Å; N308-S310 PolarHBondContact O-N 2.63Å; N308-S310 WeakPolarHBondContact OD1-CB 3.38Å; N308-S310 PolarHBondContact OD1-N 2.84Å
311	S	56	Low	56.8	Low	42 Å²	42	19.7 Å²	19.7	29%	0.294	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.3	175.1	65.4	0	0	0	0	113.1	N308 E313	N308-S311 WeakPolarHBondContact CB-OG 3.06Å; N308-S311 PolarHBondContact OD1-N 3.08Å; S311-E313 PolarHBondContact O-N 3.21Å; S311-E313 WeakPolarHBondContact OG-CB 3.48Å; S311-E313 PolarHBondContact OG-N 2.89Å; S311-E313 PolarHBondContact OG-OE2 3.45Å
312	I	53.1	Low	56.9	Low	41 Å²	41	22.5 Å²	22.5	21%	0.21	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	33.5	-173.7	-43.4	-178.4	0	0	0	110.6	N308 Y347	N308-I312 WeakPolarHBondContact O-CA 3.01Å; N308-I312 PolarHBondContact O-N 3.09Å; I312-Y347 HydrophobicContact CB-CG 4.43Å; I312-Y347 HydrophobicContact CG2-CD1 3.19Å; I312-Y347 HydrophobicContact CG2-CD2 3.28Å; I312-Y347 HydrophobicContact CG2-CE1 3.69Å; I312-Y347 HydrophobicContact CG2-CE2 3.92Å; I312-Y347 HydrophobicContact CG2-CG 2.94Å
313	E	56.3	Low	56.7	Low	32 Å²	32	26.7 Å²	26.7	15%	0.15	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.4	-178.6	-67.8	169.4	166.1	0	0	109.3	N308 S311 V315 K341	N308-E313 PolarHBondContact N-O 3.28Å; N308-E313 PolarHBondContact O-N 3.44Å; S311-E313 PolarHBondContact O-N 3.21Å; S311-E313 WeakPolarHBondContact OG-CB 3.48Å; S311-E313 PolarHBondContact OG-N 2.89Å; S311-E313 PolarHBondContact OG-OE2 3.45Å; E313-V315 HydrophobicContact CB-CG2 4.27Å; E313-K341 HydrophobicContact CG-CG 4.32Å; E313-K341 WeakPolarHBondContact OE1-CG 2.89Å
314	L	56.5	Low	56.4	Low	4 Å²	4	29.5 Å²	29.5	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.6	156.1	-163.6	77.8	0	0	0	105.9	I305 H306 F339 L342 V373 V375	I305-L314 HydrophobicContact CG2-CD1 3.74Å; I305-L314 HydrophobicContact CG2-CD2 3.62Å; I305-L314 HydrophobicContact CG2-CG 3.61Å; H306-L314 CarbonylContact O-C 3.54Å; H306-L314 WeakPolarHBondContact O-CA 3.04Å; L314-F339 VanDerWaalsContact C-CD2 3.41Å; L314-F339 HydrophobicContact CB-CB 3.89Å; L314-F339 HydrophobicContact CB-CD2 3.55Å; L314-F339 HydrophobicContact CB-CE2 4.21Å; L314-F339 HydrophobicContact CB-CG 3.85Å; L314-F339 HydrophobicContact CD2-CD1 4.01Å; L314-F339 HydrophobicContact CD2-CD2 3.56Å; L314-F339 HydrophobicContact CD2-CE1 3.95Å; L314-F339 HydrophobicContact CD2-CE2 3.5Å; L314-F339 HydrophobicContact CD2-CG 3.77Å; L314-F339 HydrophobicContact CD2-CZ 3.67Å; L314-F339 HydrophobicContact CG-CD2 3.56Å; L314-F339 HydrophobicContact CG-CE2 3.69Å; L314-F339 HydrophobicContact CG-CG 4.12Å; L314-F339 HydrophobicContact CG-CZ 4.35Å; L314-F339 VanDerWaalsContact O-CD2 3.22Å; L314-F339 WeakPolarHBondContact O-CD2 3.26Å; L314-F339 PolarHBondContact O-N 2.77Å; L314-L342 HydrophobicContact CB-CD1 4.26Å; L314-V373 HydrophobicContact CD2-CB 4.49Å; L314-V373 HydrophobicContact CD2-CG1 4.17Å; L314-V373 HydrophobicContact CD2-CG2 4.39Å; L314-V375 HydrophobicContact CD1-CG2 4.47Å; L314-V375 HydrophobicContact CD2-CG2 4.22Å
315	V	59	Low	55.9	Low	11 Å²	11	32 Å²	32	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121	-178.3	-177.3	0	0	0	0	108.4	I305 H306 N308 E313 T338	I305-V315 CarbonylContact C-O 3.49Å; I305-V315 WeakPolarHBondContact CA-O 3.17Å; H306-V315 WeakPolarHBondContact CE1-CB 3.31Å; H306-V315 WeakPolarHBondContact CE1-CG1 3.25Å; H306-V315 PolarHBondContact N-O 3.04Å; H306-V315 PolarHBondContact ND1-O 3.37Å; H306-V315 WeakPolarHBondContact NE2-CB 3.16Å; H306-V315 PolarHBondContact O-N 3.39Å; N308-V315 HydrophobicContact CB-CG2 4.05Å; E313-V315 HydrophobicContact CB-CG2 4.27Å; V315-T338 HydrophobicContact CG2-CG2 4.43Å
316	G	62	Low	55.3	Low	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.2	171.4	0	0	0	0	0	111.5	G304 R336 F337	G304-G316 CarbonylContact O-C 3.54Å; G304-G316 VanDerWaalsContact O-CA 3.22Å; G304-G316 WeakPolarHBondContact O-CA 3.42Å; G316-R336 WeakPolarHBondContact O-CA 3.23Å; G316-F337 PolarHBondContact N-O 3.36Å; G316-F337 PolarHBondContact O-N 2.74Å
317	C	61	Low	54.6	Low	7 Å²	7	47.5 Å²	47.5	5%	0.047	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.5	172.6	-175.3	0	0	0	0	108.2	L303 G304 E335	L303-C317 CarbonylContact C-O 3.5Å; L303-C317 WeakPolarHBondContact CA-O 2.77Å; G304-C317 PolarHBondContact N-O 3.22Å; G304-C317 PolarHBondContact O-N 2.68Å; C317-E335 CarbonylContact C-O 3.54Å; C317-E335 WeakPolarHBondContact CA-O 3.4Å
318	L	59.8	Low	54.4	Low	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.9	170.9	-71.2	154.9	0	0	0	109	I302 L303 S334 E335 F337 V392 P398	I302-L318 CarbonylContact O-C 3.43Å; I302-L318 VanDerWaalsContact O-CA 3.29Å; I302-L318 WeakPolarHBondContact O-CA 3.29Å; L303-L318 HydrophobicContact CB-CD2 3.97Å; L303-L318 HydrophobicContact CD1-CD2 3.81Å; L303-L318 HydrophobicContact CD1-CG 4.13Å; L303-L318 HydrophobicContact CG-CD2 4.41Å; L318-S334 CarbonylContact O-C 3.58Å; L318-S334 WeakPolarHBondContact O-CA 3.43Å; L318-E335 PolarHBondContact N-O 2.68Å; L318-E335 PolarHBondContact O-N 3.19Å; L318-F337 HydrophobicContact CD1-CD1 4.17Å; L318-F337 HydrophobicContact CD1-CE1 3.8Å; L318-F337 HydrophobicContact CG-CE1 3.89Å; L318-V392 HydrophobicContact CD1-CB 4.28Å; L318-V392 HydrophobicContact CD1-CG1 3.64Å; L318-V392 HydrophobicContact CD1-CG2 3.98Å; L318-V392 HydrophobicContact CD2-CB 4.32Å; L318-V392 HydrophobicContact CD2-CG1 3.57Å; L318-V392 HydrophobicContact CD2-CG2 3.79Å; L318-V392 HydrophobicContact CG-CG1 4.22Å; L318-V392 HydrophobicContact CG-CG2 4.4Å; L318-P398 HydrophobicContact CB-CB 3.65Å; L318-P398 HydrophobicContact CB-CG 4.34Å; L318-P398 HydrophobicContact CD1-CB 4.36Å
319	M	58.5	Low	54	Low	3 Å²	3	48.4 Å²	48.4	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.6	176.3	-70	174.3	131.1	0	0	109.6	F279 C301 I302 Y332 V333	F279-M319 HydrophobicContact CD1-SD 4.27Å; F279-M319 HydrophobicContact CD2-CE 3.39Å; F279-M319 HydrophobicContact CD2-SD 3.29Å; F279-M319 WeakPolarHBondContact CD2-SD 3.39Å; F279-M319 HydrophobicContact CE1-SD 4.16Å; F279-M319 HydrophobicContact CE2-CE 3.45Å; F279-M319 VanDerWaalsContact CE2-CE 3.45Å; F279-M319 HydrophobicContact CE2-SD 3.16Å; F279-M319 WeakPolarHBondContact CE2-SD 3.42Å; F279-M319 HydrophobicContact CG-CE 4.35Å; F279-M319 HydrophobicContact CG-SD 3.84Å; F279-M319 HydrophobicContact CZ-CE 4.43Å; F279-M319 HydrophobicContact CZ-SD 3.6Å; F279-M319 VanDerWaalsContact CZ-SD 3.6Å; C301-M319 CarbonylContact C-O 3.51Å; C301-M319 WeakPolarHBondContact CA-O 3.35Å; I302-M319 HydrophobicContact CB-CB 4.35Å; I302-M319 PolarHBondContact N-O 3.09Å; I302-M319 PolarHBondContact O-N 3.35Å; M319-Y332 HydrophobicContact CE-CD2 3.62Å; M319-Y332 HydrophobicContact CE-CE1 4.09Å; M319-Y332 HydrophobicContact CE-CE2 3.11Å; M319-Y332 HydrophobicContact CE-CG 4.31Å; M319-Y332 HydrophobicContact CG-CD2 4.19Å; M319-Y332 HydrophobicContact CG-CE2 4.49Å; M319-Y332 HydrophobicContact SD-CE2 4.5Å; M319-V333 CarbonylContact C-O 3.5Å; M319-V333 WeakPolarHBondContact CA-O 3.49Å
320	R	61.4	Low	53.9	Low	62 Å²	62	49.2 Å²	49.2	23%	0.234	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.2	171.9	-176.7	179.7	168.1	172.2	-2	109.4	S299 V300 D323 Y332 V333 M394 P398	S299-R320 PolarHBondContact OG-NE 3.09Å; S299-R320 PolarHBondContact OG-NH2 3.29Å; V300-R320 CarbonylContact O-C 3.51Å; V300-R320 VanDerWaalsContact O-CA 3.3Å; V300-R320 WeakPolarHBondContact O-CA 3.42Å; R320-D323 IonicContact NH2-OD2 3.94Å; R320-Y332 CarbonylContact O-C 3.45Å; R320-Y332 WeakPolarHBondContact O-CA 3.02Å; R320-Y332 VanDerWaalsContact O-CB 3.29Å; R320-Y332 WeakPolarHBondContact O-CB 3.12Å; R320-V333 PolarHBondContact N-O 2.63Å; R320-V333 PolarHBondContact O-N 3.09Å; R320-M394 HydrophobicContact CB-CE 4.23Å; R320-M394 HydrophobicContact CG-CE 4.28Å; R320-P398 HydrophobicContact CB-CG 4.35Å
321	T	59.5	Low	53.8	Low	3 Å²	3	51.7 Å²	51.7	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	146.1	173.1	69	0	0	0	0	110.3	F283 S299 V300 I328	F283-T321 HydrophobicContact CE1-CG2 3.6Å; F283-T321 HydrophobicContact CZ-CG2 4.26Å; S299-T321 VanDerWaalsContact CA-O 3.31Å; S299-T321 WeakPolarHBondContact CA-O 3.34Å; S299-T321 VanDerWaalsContact CB-O 3.29Å; S299-T321 WeakPolarHBondContact CB-O 3.34Å; S299-T321 PolarHBondContact OG-O 3.1Å; S299-T321 VanDerWaalsContact OG-O 3.05Å; V300-T321 HydrophobicContact CB-CG2 4.06Å; V300-T321 PolarHBondContact N-OG1 3.35Å; V300-T321 PolarHBondContact O-N 3.39Å; T321-I328 HydrophobicContact CG2-CG2 3.39Å
322	N	57.7	Low	54	Low	62 Å²	62	53.5 Å²	53.5	33%	0.332	29%	0.292	S	S	.	.			trans	-71.5	148.3	175	-77.9	-0.7	0	0	0	111.7	S324 E331	N322-S324 PolarHBondContact O-N 3.07Å; N322-E331 HydrophobicContact CB-CB 4.24Å; N322-E331 PolarHBondContact N-O 2.96Å; N322-E331 WeakPolarHBondContact ND2-CB 3.2Å; N322-E331 PolarHBondContact ND2-OE2 3.12Å
323	D	54.4	Low	54.2	Low	91 Å²	91	53.9 Å²	53.9	49%	0.487	30%	0.296	S	S	.	.	S	Bend	trans	-72.5	13.2	174.3	-63.7	-38.9	0	0	0	113.1	S299 R320 G325	S299-D323 WeakPolarHBondContact CA-OD1 3.48Å; S299-D323 VanDerWaalsContact CB-OD1 3.25Å; S299-D323 WeakPolarHBondContact CB-OD1 3.39Å; S299-D323 PolarHBondContact N-OD1 2.7Å; S299-D323 PolarHBondContact OG-OD1 2.76Å; S299-D323 PolarHBondContact OG-OD2 3.35Å; R320-D323 IonicContact NH2-OD2 3.94Å; D323-G325 PolarHBondContact O-N 3.18Å; D323-G325 VanDerWaalsContact O-N 3.09Å
324	S	49.2	Very low	54.6	Low	59 Å²	59	54.7 Å²	54.7	41%	0.413	31%	0.305	S	S	.	.	S	Bend	trans	-77.3	1.4	-162.2	62.7	0	0	0	0	115.2	N322 K326	N322-S324 PolarHBondContact O-N 3.07Å; S324-K326 PolarHBondContact O-N 3.1Å
325	G	47.1	Very low	55	Low	54 Å²	54	57.2 Å²	57.2	56%	0.557	32%	0.317	S	S	*	.	S	Bend	trans	60.8	2.4	178.1	0	0	0	0	0	114.9	D323	D323-G325 PolarHBondContact O-N 3.18Å; D323-G325 VanDerWaalsContact O-N 3.09Å
326	K	41.9	Very low	55.3	Low	172 Å²	172	63.9 Å²	63.9	75%	0.748	34%	0.341	S	S	*	.	S	Bend	trans	-108.5	150.3	176.2	-67.7	-178.4	-179.2	179.2	0	108.5	S324 I328	S324-K326 PolarHBondContact O-N 3.1Å; K326-I328 PolarHBondContact O-N 3.17Å
327	H	42.9	Very low	55.2	Low	176 Å²	176	64.5 Å²	64.5	82%	0.815	34%	0.344	S	S	*	.			trans	-24.4	112.5	-173.2	-75.6	-79.5	0	0	0	114.6	V329 G330	H327-V329 PolarHBondContact O-N 2.89Å; H327-G330 PolarHBondContact O-N 2.82Å
328	I	46.8	Very low	55.3	Low	30 Å²	30	68 Å²	68	15%	0.154	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.6	-175.2	-46.9	-179.7	0	0	0	112.9	F283 L296 T321 K326 G330	F283-I328 HydrophobicContact CD1-CB 3.85Å; F283-I328 HydrophobicContact CD1-CG2 3.27Å; F283-I328 HydrophobicContact CE1-CB 4.3Å; F283-I328 HydrophobicContact CE1-CG2 3.31Å; F283-I328 HydrophobicContact CG-CB 4.46Å; F283-I328 HydrophobicContact CG-CG2 4.27Å; F283-I328 HydrophobicContact CZ-CG2 4.3Å; L296-I328 HydrophobicContact CB-CD1 3.78Å; L296-I328 HydrophobicContact CD1-CD1 3.41Å; L296-I328 VanDerWaalsContact CD1-CD1 3.41Å; L296-I328 HydrophobicContact CG-CD1 4.23Å; T321-I328 HydrophobicContact CG2-CG2 3.39Å; K326-I328 PolarHBondContact O-N 3.17Å; I328-G330 VanDerWaalsContact C-N 3.26Å; I328-G330 PolarHBondContact O-N 2.76Å
329	V	45.2	Very low	55.2	Low	60 Å²	60	68 Å²	68	36%	0.364	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21	-172.6	-166.6	0	0	0	0	113.3	N280 F283 H327	N280-V329 HydrophobicContact CB-CG1 4.22Å; N280-V329 VanDerWaalsContact OD1-CG1 3.23Å; N280-V329 WeakPolarHBondContact OD1-CG1 3.32Å; F283-V329 HydrophobicContact CB-CG2 3.83Å; F283-V329 HydrophobicContact CD2-CB 4.48Å; F283-V329 HydrophobicContact CD2-CG1 4.43Å; F283-V329 HydrophobicContact CD2-CG2 4.46Å; F283-V329 HydrophobicContact CG-CG2 4.34Å; H327-V329 PolarHBondContact O-N 2.89Å
330	G	47.6	Very low	55	Low	64 Å²	64	71 Å²	71	66%	0.66	39%	0.386	S	S	*	.	S	Bend	trans	-98.7	-31.3	-167.5	0	0	0	0	0	117.2	H327 I328	H327-G330 PolarHBondContact O-N 2.82Å; I328-G330 VanDerWaalsContact C-N 3.26Å; I328-G330 PolarHBondContact O-N 2.76Å
331	E	54	Low	54.3	Low	112 Å²	112	74.6 Å²	74.6	52%	0.523	40%	0.404	S	S	.	.			trans	-133.5	110.7	-172	-57.4	-177.3	165.7	0	0	111.8	N322	N322-E331 HydrophobicContact CB-CB 4.24Å; N322-E331 PolarHBondContact N-O 2.96Å; N322-E331 WeakPolarHBondContact ND2-CB 3.2Å; N322-E331 PolarHBondContact ND2-OE2 3.12Å
332	Y	59.7	Low	53.7	Low	80 Å²	80	74.7 Å²	74.7	31%	0.314	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.1	174	60.9	-94.8	0	0	0	110.7	M319 R320	M319-Y332 HydrophobicContact CE-CD2 3.62Å; M319-Y332 HydrophobicContact CE-CE1 4.09Å; M319-Y332 HydrophobicContact CE-CE2 3.11Å; M319-Y332 HydrophobicContact CE-CG 4.31Å; M319-Y332 HydrophobicContact CG-CD2 4.19Å; M319-Y332 HydrophobicContact CG-CE2 4.49Å; M319-Y332 HydrophobicContact SD-CE2 4.5Å; R320-Y332 CarbonylContact O-C 3.45Å; R320-Y332 WeakPolarHBondContact O-CA 3.02Å; R320-Y332 VanDerWaalsContact O-CB 3.29Å; R320-Y332 WeakPolarHBondContact O-CB 3.12Å
333	V	58	Low	52.8	Low	49 Å²	49	74 Å²	74	30%	0.297	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.9	166.9	-175	0	0	0	0	107.9	M319 R320 K397 P398	M319-V333 CarbonylContact C-O 3.5Å; M319-V333 WeakPolarHBondContact CA-O 3.49Å; R320-V333 PolarHBondContact N-O 2.63Å; R320-V333 PolarHBondContact O-N 3.09Å; V333-K397 HydrophobicContact CG1-CB 4.33Å; V333-K397 HydrophobicContact CG1-CD 4.48Å; V333-K397 HydrophobicContact CG1-CG 4.17Å; V333-P398 HydrophobicContact CB-CG 4.44Å; V333-P398 HydrophobicContact CG1-CG 4.17Å; V333-P398 WeakPolarHBondContact O-CG 3.48Å
334	S	64.5	Low	51.8	Low	50 Å²	50	75.9 Å²	75.9	35%	0.35	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.1	175.5	63.1	0	0	0	0	113.1	L318	L318-S334 CarbonylContact O-C 3.58Å; L318-S334 WeakPolarHBondContact O-CA 3.43Å
335	E	64.7	Low	51.2	Low	57 Å²	57	80.1 Å²	80.1	27%	0.266	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.7	166.7	-177.1	170.3	126.6	0	0	109.7	C317 L318 P398 R399 G400	C317-E335 CarbonylContact C-O 3.54Å; C317-E335 WeakPolarHBondContact CA-O 3.4Å; L318-E335 PolarHBondContact N-O 2.68Å; L318-E335 PolarHBondContact O-N 3.19Å; E335-P398 HydrophobicContact CB-CG 4.48Å; E335-P398 VanDerWaalsContact CB-O 3.28Å; E335-P398 WeakPolarHBondContact CB-O 3.39Å; E335-R399 VanDerWaalsContact CD-CA 3.47Å; E335-R399 VanDerWaalsContact OE1-CA 3.24Å; E335-R399 WeakPolarHBondContact OE1-CA 3.36Å; E335-R399 WeakPolarHBondContact OE2-CA 3.14Å; E335-R399 WeakPolarHBondContact OE2-CG 3.47Å; E335-G400 PolarHBondContact OE1-N 3.47Å
336	R	65.9	Low	51	Low	150 Å²	150	80.4 Å²	80.4	57%	0.566	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	136.9	171.5	-62	-172.4	-170.4	175.8	8.9	109.6	E276 G316	E276-R336 IonicContact OE1-CZ 3.9Å; E276-R336 IonicContact OE1-NE 3.69Å; E276-R336 IonicContact OE1-NH2 2.73Å; E276-R336 PolarHBondContact OE1-NH2 2.85Å; G316-R336 WeakPolarHBondContact O-CA 3.23Å
337	F	59.8	Low	50.9	Low	14 Å²	14	73.2 Å²	73.2	6%	0.061	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.8	170.9	59.8	-90.8	0	0	0	109.6	L303 G316 L318 F339 F371 V402	L303-F337 HydrophobicContact CD1-CE1 3.88Å; L303-F337 HydrophobicContact CD1-CZ 3.66Å; G316-F337 PolarHBondContact N-O 3.36Å; G316-F337 PolarHBondContact O-N 2.74Å; L318-F337 HydrophobicContact CD1-CD1 4.17Å; L318-F337 HydrophobicContact CD1-CE1 3.8Å; L318-F337 HydrophobicContact CG-CE1 3.89Å; F337-F339 HydrophobicContact CD2-CD2 4.48Å; F337-F339 HydrophobicContact CD2-CE2 4.23Å; F337-F339 HydrophobicContact CE2-CD2 4.29Å; F337-F339 HydrophobicContact CE2-CE1 4.2Å; F337-F339 AromaticContact CE2-CE2 3.63Å; F337-F339 HydrophobicContact CE2-CE2 3.63Å; F337-F339 AromaticContact CE2-CZ 3.62Å; F337-F339 HydrophobicContact CE2-CZ 3.62Å; F337-F339 HydrophobicContact CZ-CZ 4.4Å; F337-F371 HydrophobicContact CE2-CE1 4.48Å; F337-F371 AromaticContact CE2-CZ 3.76Å; F337-F371 HydrophobicContact CE2-CZ 3.76Å; F337-F371 HydrophobicContact CZ-CE1 4.04Å; F337-F371 AromaticContact CZ-CZ 3.63Å; F337-F371 HydrophobicContact CZ-CZ 3.63Å; F337-V402 HydrophobicContact CD2-CG2 3.61Å; F337-V402 HydrophobicContact CE2-CG2 3.93Å
338	T	61.7	Low	50.7	Low	79 Å²	79	71.4 Å²	71.4	49%	0.485	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.3	175.2	52	0	0	0	0	109	V315 S340	V315-T338 HydrophobicContact CG2-CG2 4.43Å; T338-S340 PolarHBondContact O-N 3.34Å
339	F	58	Low	50.2	Low	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.406	C	S	.	.			trans	-73.9	123.9	162.1	-58.6	-98.7	0	0	0	105.5	I305 L314 F337 K341 F371 V373 T388 V402	I305-F339 HydrophobicContact CD1-CZ 4.22Å; I305-F339 HydrophobicContact CG1-CZ 4.4Å; I305-F339 HydrophobicContact CG2-CE2 3.96Å; I305-F339 HydrophobicContact CG2-CZ 4.13Å; L314-F339 VanDerWaalsContact C-CD2 3.41Å; L314-F339 HydrophobicContact CB-CB 3.89Å; L314-F339 HydrophobicContact CB-CD2 3.55Å; L314-F339 HydrophobicContact CB-CE2 4.21Å; L314-F339 HydrophobicContact CB-CG 3.85Å; L314-F339 HydrophobicContact CD2-CD1 4.01Å; L314-F339 HydrophobicContact CD2-CD2 3.56Å; L314-F339 HydrophobicContact CD2-CE1 3.95Å; L314-F339 HydrophobicContact CD2-CE2 3.5Å; L314-F339 HydrophobicContact CD2-CG 3.77Å; L314-F339 HydrophobicContact CD2-CZ 3.67Å; L314-F339 HydrophobicContact CG-CD2 3.56Å; L314-F339 HydrophobicContact CG-CE2 3.69Å; L314-F339 HydrophobicContact CG-CG 4.12Å; L314-F339 HydrophobicContact CG-CZ 4.35Å; L314-F339 VanDerWaalsContact O-CD2 3.22Å; L314-F339 WeakPolarHBondContact O-CD2 3.26Å; L314-F339 PolarHBondContact O-N 2.77Å; F337-F339 HydrophobicContact CD2-CD2 4.48Å; F337-F339 HydrophobicContact CD2-CE2 4.23Å; F337-F339 HydrophobicContact CE2-CD2 4.29Å; F337-F339 HydrophobicContact CE2-CE1 4.2Å; F337-F339 AromaticContact CE2-CE2 3.63Å; F337-F339 HydrophobicContact CE2-CE2 3.63Å; F337-F339 AromaticContact CE2-CZ 3.62Å; F337-F339 HydrophobicContact CE2-CZ 3.62Å; F337-F339 HydrophobicContact CZ-CZ 4.4Å; F339-K341 PolarHBondContact O-N 3.01Å; F339-F371 AromaticContact CE1-CE2 3.77Å; F339-F371 HydrophobicContact CE1-CE2 3.77Å; F339-F371 HydrophobicContact CE1-CZ 4.06Å; F339-F371 AromaticContact CZ-CE2 3.65Å; F339-F371 HydrophobicContact CZ-CE2 3.65Å; F339-F371 AromaticContact CZ-CZ 3.89Å; F339-F371 HydrophobicContact CZ-CZ 3.89Å; F339-V373 HydrophobicContact CE1-CG2 4.37Å; F339-V373 HydrophobicContact CZ-CG2 4.27Å; F339-T388 HydrophobicContact CD1-CG2 3.22Å; F339-T388 HydrophobicContact CE1-CG2 3.65Å; F339-T388 HydrophobicContact CG-CG2 4.27Å; F339-V402 HydrophobicContact CB-CG1 4.28Å; F339-V402 HydrophobicContact CB-CG2 4.22Å; F339-V402 HydrophobicContact CD1-CB 4.1Å; F339-V402 HydrophobicContact CD1-CG1 3.61Å; F339-V402 HydrophobicContact CD1-CG2 3.32Å; F339-V402 HydrophobicContact CD2-CG2 4.34Å; F339-V402 HydrophobicContact CE1-CG1 4.45Å; F339-V402 HydrophobicContact CE1-CG2 3.79Å; F339-V402 HydrophobicContact CG-CG1 4.31Å; F339-V402 HydrophobicContact CG-CG2 3.72Å; F339-V402 HydrophobicContact CZ-CG2 4.49Å
340	S	55.7	Low	49.9	Very low	66 Å²	66	74.1 Å²	74.1	46%	0.462	40%	0.397	S	S	.	.			trans	-35.7	136.4	-178.4	54.6	0	0	0	0	111.6	T338 L342	T338-S340 PolarHBondContact O-N 3.34Å; S340-L342 PolarHBondContact O-N 3.26Å
341	K	46.3	Very low	49.5	Very low	139 Å²	139	75.8 Å²	75.8	60%	0.604	40%	0.397	S	S	*	.			trans	-33	106.1	179	-77.9	-175.6	178.9	-178.5	0	110.5	E313 F339 A343	E313-K341 HydrophobicContact CG-CG 4.32Å; E313-K341 WeakPolarHBondContact OE1-CG 2.89Å; F339-K341 PolarHBondContact O-N 3.01Å; K341-A343 PolarHBondContact O-N 3.05Å
342	L	46.5	Very low	48.7	Very low	5 Å²	5	71.4 Å²	71.4	3%	0.026	38%	0.378	C	S	.	.			trans	-57.4	112.1	162.5	-73.6	137.5	0	0	0	104.3	L314 S340 Q344 Y347 Y386 L405	L314-L342 HydrophobicContact CB-CD1 4.26Å; S340-L342 PolarHBondContact O-N 3.26Å; L342-Q344 PolarHBondContact O-N 3.06Å; L342-Y347 HydrophobicContact CB-CD2 4.26Å; L342-Y347 HydrophobicContact CB-CE2 3.38Å; L342-Y347 WeakPolarHBondContact CD1-OH 3.04Å; L342-Y347 HydrophobicContact CD2-CE2 4.29Å; L342-Y347 WeakPolarHBondContact CD2-OH 3.21Å; L342-Y347 HydrophobicContact CG-CE2 4.26Å; L342-Y386 HydrophobicContact CD2-CD1 4.29Å; L342-Y386 HydrophobicContact CD2-CD2 4.26Å; L342-Y386 HydrophobicContact CD2-CG 4.05Å; L342-L405 HydrophobicContact CD2-CD1 3.48Å; L342-L405 VanDerWaalsContact CD2-CD1 3.48Å; L342-L405 HydrophobicContact CD2-CD2 3.58Å; L342-L405 HydrophobicContact CD2-CG 4.15Å; L342-L405 HydrophobicContact CG-CD1 3.86Å; L342-L405 HydrophobicContact CG-CD2 4.41Å
343	A	38.1	Very low	47.7	Very low	46 Å²	46	74 Å²	74	38%	0.38	39%	0.391	S	S	.	.			trans	-49.4	136.8	-159.4	0	0	0	0	0	112	K341 N345 M346	K341-A343 PolarHBondContact O-N 3.05Å; A343-N345 PolarHBondContact O-N 3.09Å; A343-M346 HydrophobicContact CB-CE 4.48Å; A343-M346 HydrophobicContact CB-SD 4.18Å; A343-M346 WeakPolarHBondContact O-CB 2.77Å; A343-M346 PolarHBondContact O-N 2.87Å
344	Q	34.9	Very low	46.8	Very low	131 Å²	131	72.9 Å²	72.9	61%	0.612	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-48.7	-27.7	-176.6	-76.7	174.4	-35.8	0	0	114.1	L342 M346	L342-Q344 PolarHBondContact O-N 3.06Å; Q344-M346 PolarHBondContact O-N 2.71Å
345	N	36.2	Very low	45.5	Very low	149 Å²	149	72 Å²	72	80%	0.797	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-70.2	-14.1	179.1	-64	-7.2	0	0	0	114	A343	A343-N345 PolarHBondContact O-N 3.09Å
346	M	42.9	Very low	44	Very low	59 Å²	59	71.8 Å²	71.8	29%	0.291	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-90.5	-18.2	-173.2	-67.7	164.6	170.6	0	0	114.3	A343 Q344 Y386	A343-M346 HydrophobicContact CB-CE 4.48Å; A343-M346 HydrophobicContact CB-SD 4.18Å; A343-M346 WeakPolarHBondContact O-CB 2.77Å; A343-M346 PolarHBondContact O-N 2.87Å; Q344-M346 PolarHBondContact O-N 2.71Å; M346-Y386 HydrophobicContact CE-CE1 3.54Å; M346-Y386 WeakPolarHBondContact CE-OH 3.2Å; M346-Y386 VanDerWaalsContact CG-OH 3.29Å; M346-Y386 WeakPolarHBondContact CG-OH 3.31Å; M346-Y386 HydrophobicContact SD-CE1 3.53Å; M346-Y386 VanDerWaalsContact SD-CE1 3.53Å; M346-Y386 PolarHBondContact SD-OH 3.45Å
347	Y	38.7	Very low	42.6	Very low	22 Å²	22	68.9 Å²	68.9	9%	0.086	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-7.4	-162.7	-77.1	-102.3	0	0	0	115.9	F307 I312 L342 D349 V352	F307-Y347 HydrophobicContact CE2-CD1 4.28Å; F307-Y347 AromaticContact CE2-CE1 3.53Å; F307-Y347 HydrophobicContact CE2-CE1 3.53Å; F307-Y347 AromaticContact CZ-CD1 3.98Å; F307-Y347 HydrophobicContact CZ-CD1 3.98Å; F307-Y347 AromaticContact CZ-CE1 3.66Å; F307-Y347 HydrophobicContact CZ-CE1 3.66Å; I312-Y347 HydrophobicContact CB-CG 4.43Å; I312-Y347 HydrophobicContact CG2-CD1 3.19Å; I312-Y347 HydrophobicContact CG2-CD2 3.28Å; I312-Y347 HydrophobicContact CG2-CE1 3.69Å; I312-Y347 HydrophobicContact CG2-CE2 3.92Å; I312-Y347 HydrophobicContact CG2-CG 2.94Å; L342-Y347 HydrophobicContact CB-CD2 4.26Å; L342-Y347 HydrophobicContact CB-CE2 3.38Å; L342-Y347 WeakPolarHBondContact CD1-OH 3.04Å; L342-Y347 HydrophobicContact CD2-CE2 4.29Å; L342-Y347 WeakPolarHBondContact CD2-OH 3.21Å; L342-Y347 HydrophobicContact CG-CE2 4.26Å; Y347-D349 PolarHBondContact O-N 2.9Å; Y347-D349 VanDerWaalsContact O-N 3.12Å; Y347-V352 HydrophobicContact CD1-CB 4.39Å; Y347-V352 HydrophobicContact CD1-CG2 3.46Å; Y347-V352 VanDerWaalsContact CD1-CG2 3.46Å; Y347-V352 HydrophobicContact CE1-CB 3.73Å; Y347-V352 HydrophobicContact CE1-CG1 4.19Å; Y347-V352 HydrophobicContact CE1-CG2 3.02Å; Y347-V352 HydrophobicContact CG-CG2 4.46Å
348	L	39.2	Very low	41.4	Very low	138 Å²	138	69.3 Å²	69.3	72%	0.723	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.8	-178.3	-80	163.2	0	0	0	112.7
349	D	37.7	Very low	40.3	Very low	124 Å²	124	67.8 Å²	67.8	66%	0.663	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-3.5	-166.3	-63.8	-36.5	0	0	0	116.5	Y347 L379	Y347-D349 PolarHBondContact O-N 2.9Å; Y347-D349 VanDerWaalsContact O-N 3.12Å; D349-L379 HydrophobicContact CB-CD2 3.77Å
350	A	38.2	Very low	39.4	Very low	22 Å²	22	68.4 Å²	68.4	18%	0.182	37%	0.369	C	S	.	.	S	Bend	trans	-166.2	152.9	178.1	0	0	0	0	0	117.1	V352 C378 L379	A350-V352 PolarHBondContact O-N 2.83Å; A350-C378 WeakPolarHBondContact CB-O 3.46Å; A350-L379 HydrophobicContact CB-CD2 4.26Å
351	P	38.1	Very low	38.6	Very low	99 Å²	99	66.5 Å²	66.5	64%	0.643	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-69.2	128.4	177.3	27.6	-33.4	0	0	0	111.9
352	V	38.7	Very low	38.2	Very low	21 Å²	21	62.3 Å²	62.3	13%	0.127	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-81.1	129.7	174.9	171	0	0	0	0	110.5	Y347 A350 V375 K376	Y347-V352 HydrophobicContact CD1-CB 4.39Å; Y347-V352 HydrophobicContact CD1-CG2 3.46Å; Y347-V352 VanDerWaalsContact CD1-CG2 3.46Å; Y347-V352 HydrophobicContact CE1-CB 3.73Å; Y347-V352 HydrophobicContact CE1-CG1 4.19Å; Y347-V352 HydrophobicContact CE1-CG2 3.02Å; Y347-V352 HydrophobicContact CG-CG2 4.46Å; A350-V352 PolarHBondContact O-N 2.83Å; V352-V375 HydrophobicContact CG1-CG1 3.4Å; V352-K376 WeakPolarHBondContact CG1-O 3.45Å
353	K	38.8	Very low	37.8	Very low	135 Å²	135	62.9 Å²	62.9	59%	0.587	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.2	172.5	-72.5	-174.9	-179.4	179.7	0	108.2	C355 K376	K353-C355 PolarHBondContact O-N 2.84Å; K353-K376 PolarHBondContact N-O 2.74Å; K353-K376 WeakPolarHBondContact O-CB 3.31Å; K353-K376 PolarHBondContact O-N 3.23Å
354	P	38.5	Very low	37.6	Very low	25 Å²	25	68 Å²	68	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	129.2	167.3	24.6	-31.9	0	0	0	109	L247 L266	L247-P354 HydrophobicContact CD1-CG 3.83Å; L266-P354 HydrophobicContact CD1-CB 3.73Å; L266-P354 HydrophobicContact CD2-CB 3.21Å; L266-P354 HydrophobicContact CD2-CG 3.18Å; L266-P354 HydrophobicContact CG-CB 4.1Å; L266-P354 HydrophobicContact CG-CG 4.48Å
355	C	37.8	Very low	37.8	Very low	32 Å²	32	68.8 Å²	68.8	22%	0.216	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.4	168.8	-85.9	0	0	0	0	107.1	K353 K357 I374 K376	K353-C355 PolarHBondContact O-N 2.84Å; C355-K357 PolarHBondContact O-N 2.76Å; C355-I374 PolarHBondContact N-O 2.97Å; C355-I374 VanDerWaalsContact O-O 3.09Å; C355-K376 HydrophobicContact CB-CB 4.37Å; C355-K376 WeakPolarHBondContact SG-CB 3.4Å
356	S	32.8	Very low	38.1	Very low	52 Å²	52	66.4 Å²	66.4	36%	0.364	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	16.5	-163.3	41.9	0	0	0	0	117.2
357	K	35.4	Very low	38.4	Very low	89 Å²	89	66.5 Å²	66.5	39%	0.387	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	107.1	174.3	-6.1	179.5	177.1	175.7	0	111.4	C355 W422	C355-K357 PolarHBondContact O-N 2.76Å; K357-W422 HydrophobicContact CB-CH2 3.18Å; K357-W422 HydrophobicContact CB-CZ2 3.96Å; K357-W422 HydrophobicContact CB-CZ3 3.71Å; K357-W422 HydrophobicContact CD-CD2 4.47Å; K357-W422 HydrophobicContact CD-CE3 4.21Å; K357-W422 HydrophobicContact CD-CH2 3.44Å; K357-W422 VanDerWaalsContact CD-CH2 3.44Å; K357-W422 HydrophobicContact CD-CZ2 3.59Å; K357-W422 HydrophobicContact CD-CZ3 3.7Å; K357-W422 HydrophobicContact CG-CH2 3.25Å; K357-W422 HydrophobicContact CG-CZ2 3.49Å; K357-W422 VanDerWaalsContact CG-CZ2 3.49Å; K357-W422 HydrophobicContact CG-CZ3 3.97Å; K357-W422 WeakPolarHBondContact O-CH2 3.19Å
358	L	35.3	Very low	38.9	Very low	23 Å²	23	68.7 Å²	68.7	12%	0.12	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.3	160.6	-171	83.4	0	0	0	107.2	P264 I305 V360 F371 S372 V373	P264-L358 HydrophobicContact CB-CD2 2.99Å; P264-L358 HydrophobicContact CB-CG 4.39Å; P264-L358 HydrophobicContact CG-CD2 3.58Å; I305-L358 HydrophobicContact CD1-CD1 3.78Å; I305-L358 HydrophobicContact CD1-CD2 4.49Å; L358-V360 HydrophobicContact CD2-CG2 3.51Å; L358-V360 HydrophobicContact CG-CG2 3.98Å; L358-F371 HydrophobicContact CD1-CD2 4.21Å; L358-S372 WeakPolarHBondContact CD1-O 3.49Å; L358-V373 HydrophobicContact CD1-CB 4.08Å; L358-V373 HydrophobicContact CD1-CG1 4.46Å; L358-V373 HydrophobicContact CD1-CG2 3.36Å
359	L	38.8	Very low	39.5	Very low	46 Å²	46	63.2 Å²	63.2	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.9	166.3	-164.5	83.5	0	0	0	108.2	V361 S372 L424 L518	L359-V361 HydrophobicContact CD2-CG2 4.24Å; L359-S372 PolarHBondContact N-O 3.25Å; L359-S372 VanDerWaalsContact N-O 3.09Å; L359-S372 PolarHBondContact O-N 3.41Å; L359-L424 HydrophobicContact CB-CD2 4.34Å; L359-L424 HydrophobicContact CD2-CB 3.77Å; L359-L424 HydrophobicContact CD2-CD2 4.02Å; L359-L424 HydrophobicContact CD2-CG 4.22Å; L359-L424 VanDerWaalsContact CD2-O 3.3Å; L359-L424 WeakPolarHBondContact CD2-O 3.29Å; L359-L518 HydrophobicContact CD1-CD1 4.42Å
360	V	38.8	Very low	40.1	Very low	14 Å²	14	57.4 Å²	57.4	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.4	174.2	179.9	0	0	0	0	109.1	H252 L262 L358 L369 F371	H252-V360 HydrophobicContact CB-CB 4.06Å; H252-V360 HydrophobicContact CB-CG1 4.2Å; H252-V360 WeakPolarHBondContact CD2-CB 3.5Å; H252-V360 WeakPolarHBondContact CD2-CG2 3.08Å; H252-V360 PolarHBondContact CE1-N 2.88Å; H252-V360 VanDerWaalsContact CG-CB 3.48Å; H252-V360 WeakPolarHBondContact NE2-CG2 3.13Å; L262-V360 HydrophobicContact CD2-CB 4.15Å; L262-V360 HydrophobicContact CD2-CG1 3.54Å; L262-V360 HydrophobicContact CD2-CG2 3.66Å; L358-V360 HydrophobicContact CD2-CG2 3.51Å; L358-V360 HydrophobicContact CG-CG2 3.98Å; V360-L369 HydrophobicContact CG1-CD1 3.5Å; V360-L369 HydrophobicContact CG1-CD2 3.82Å; V360-L369 HydrophobicContact CG1-CG 3.65Å; V360-F371 HydrophobicContact CB-CB 4.33Å; V360-F371 HydrophobicContact CG1-CB 4.32Å; V360-F371 HydrophobicContact CG2-CB 3.84Å
361	V	38.1	Very low	40.9	Very low	25 Å²	25	56.3 Å²	56.3	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	102.4	176.8	-175.8	0	0	0	0	107.3	L359 S363 V370 T426	L359-V361 HydrophobicContact CD2-CG2 4.24Å; V361-S363 PolarHBondContact O-N 3.28Å; V361-V370 CarbonylContact C-O 3.4Å; V361-V370 PolarHBondContact N-O 2.84Å; V361-V370 PolarHBondContact O-N 2.83Å; V361-T426 HydrophobicContact CB-CG2 4.25Å; V361-T426 HydrophobicContact CG1-CG2 3.83Å; V361-T426 WeakPolarHBondContact CG1-OG1 3.22Å; V361-T426 HydrophobicContact CG2-CG2 4.12Å; V361-T426 WeakPolarHBondContact CG2-OG1 3.22Å
362	A	38.6	Very low	41.5	Very low	51 Å²	51	51.8 Å²	51.8	42%	0.421	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.5	168.9	0	0	0	0	0	108.8	L369	A362-L369 HydrophobicContact CB-CD1 4.16Å
363	S	38.7	Very low	42.1	Very low	18 Å²	18	50.8 Å²	50.8	13%	0.126	27%	0.265	C	S	.	.			trans	-78.4	150.7	168.9	173.3	0	0	0	0	109.7	V361 R365 P431	V361-S363 PolarHBondContact O-N 3.28Å; S363-R365 PolarHBondContact O-N 2.81Å; S363-R365 VanDerWaalsContact O-N 3.1Å; S363-R365 PolarHBondContact OG-N 2.79Å; S363-P431 WeakPolarHBondContact OG-CG 3.25Å
364	E	33.7	Very low	42.6	Very low	154 Å²	154	44.6 Å²	44.6	72%	0.72	24%	0.238	S	C	*	.	S	Bend	trans	-59	-13.5	165.8	-68.5	-169.3	153.8	0	0	114.1	P366	E364-P366 VanDerWaalsContact O-CD 3.27Å; E364-P366 WeakPolarHBondContact O-CD 3.46Å; E364-P366 VanDerWaalsContact O-N 3.12Å
365	R	38.8	Very low	43.2	Very low	146 Å²	146	43.7 Å²	43.7	55%	0.551	23%	0.232	S	C	*	.	S	Bend	trans	-65.8	114.4	169.1	-72.7	-171.3	174.9	179	-2.2	107.6	S363 N367 F368	S363-R365 PolarHBondContact O-N 2.81Å; S363-R365 VanDerWaalsContact O-N 3.1Å; S363-R365 PolarHBondContact OG-N 2.79Å; R365-N367 PolarHBondContact O-N 3.09Å; R365-F368 HydrophobicContact CB-CD2 4.25Å; R365-F368 PolarHBondContact O-N 3.32Å
366	P	43.3	Very low	43.7	Very low	100 Å²	100	44.5 Å²	44.5	65%	0.649	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.7	-161.2	20.4	-32.7	0	0	0	114.9	E364	E364-P366 VanDerWaalsContact O-CD 3.27Å; E364-P366 WeakPolarHBondContact O-CD 3.46Å; E364-P366 VanDerWaalsContact O-N 3.12Å
367	N	48.6	Very low	44.5	Very low	60 Å²	60	42.4 Å²	42.4	32%	0.321	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	3.1	-173.6	-56.2	-42.4	0	0	0	113.8	R365 S393 M394 N395	R365-N367 PolarHBondContact O-N 3.09Å; N367-S393 CarbonylContact O-C 3.52Å; N367-S393 WeakPolarHBondContact O-CA 3.21Å; N367-M394 PolarHBondContact O-N 3.4Å; N367-N395 WeakPolarHBondContact CB-OD1 3.48Å; N367-N395 PolarHBondContact ND2-OD1 2.73Å
368	F	48.4	Very low	45	Very low	69 Å²	69	39.7 Å²	39.7	30%	0.303	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.9	-179.9	-64.5	-88.5	0	0	0	112.8	R365 V391 V392	R365-F368 HydrophobicContact CB-CD2 4.25Å; R365-F368 PolarHBondContact O-N 3.32Å; F368-V391 HydrophobicContact CD1-CG1 3.99Å; F368-V392 CarbonylContact C-O 3.56Å; F368-V392 WeakPolarHBondContact CA-O 3.38Å
369	L	52.4	Low	45.4	Very low	23 Å²	23	41.3 Å²	41.3	12%	0.12	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.8	175.8	174.6	121.2	0	0	0	109.7	L262 V360 A362 F371 V391 V392	L262-L369 HydrophobicContact CB-CD1 4.38Å; L262-L369 HydrophobicContact CD1-CD2 3.77Å; L262-L369 HydrophobicContact CD2-CD1 3.94Å; L262-L369 HydrophobicContact CD2-CD2 3.46Å; L262-L369 VanDerWaalsContact CD2-CD2 3.46Å; L262-L369 HydrophobicContact CD2-CG 4.26Å; L262-L369 HydrophobicContact CG-CD2 4.22Å; V360-L369 HydrophobicContact CG1-CD1 3.5Å; V360-L369 HydrophobicContact CG1-CD2 3.82Å; V360-L369 HydrophobicContact CG1-CG 3.65Å; A362-L369 HydrophobicContact CB-CD1 4.16Å; L369-F371 HydrophobicContact CD2-CD1 4.37Å; L369-V391 CarbonylContact O-C 3.45Å; L369-V391 WeakPolarHBondContact O-CA 3.47Å; L369-V392 HydrophobicContact CB-CB 4.07Å; L369-V392 HydrophobicContact CD2-CB 4.05Å; L369-V392 HydrophobicContact CD2-CG2 3.83Å; L369-V392 PolarHBondContact N-O 3.49Å; L369-V392 PolarHBondContact O-N 2.97Å
370	V	50.3	Low	45.7	Very low	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.6	177.7	-172.5	0	0	0	0	107.9	V361 M389 G390 V391 Y432	V361-V370 CarbonylContact C-O 3.4Å; V361-V370 PolarHBondContact N-O 2.84Å; V361-V370 PolarHBondContact O-N 2.83Å; V370-M389 HydrophobicContact CG1-CG 4.01Å; V370-M389 HydrophobicContact CG1-SD 4.03Å; V370-G390 CarbonylContact C-O 3.48Å; V370-G390 WeakPolarHBondContact CA-O 3.36Å; V370-V391 HydrophobicContact CG1-CG2 4.35Å; V370-V391 HydrophobicContact CG2-CG2 4.23Å; V370-Y432 HydrophobicContact CG2-CE1 4.49Å
371	F	54.1	Low	46.1	Very low	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.7	177.4	68.9	-90.8	0	0	0	110.9	L303 I305 F337 F339 L358 V360 L369 V373 M389 G390 V392	L303-F371 HydrophobicContact CD2-CB 4.49Å; L303-F371 HydrophobicContact CD2-CD1 3.74Å; L303-F371 HydrophobicContact CD2-CD2 4.26Å; L303-F371 HydrophobicContact CD2-CE1 3.96Å; L303-F371 HydrophobicContact CD2-CE2 4.47Å; L303-F371 HydrophobicContact CD2-CG 3.9Å; L303-F371 HydrophobicContact CD2-CZ 4.32Å; I305-F371 HydrophobicContact CD1-CD2 4.01Å; I305-F371 HydrophobicContact CD1-CE2 3.75Å; F337-F371 HydrophobicContact CE2-CE1 4.48Å; F337-F371 AromaticContact CE2-CZ 3.76Å; F337-F371 HydrophobicContact CE2-CZ 3.76Å; F337-F371 HydrophobicContact CZ-CE1 4.04Å; F337-F371 AromaticContact CZ-CZ 3.63Å; F337-F371 HydrophobicContact CZ-CZ 3.63Å; F339-F371 AromaticContact CE1-CE2 3.77Å; F339-F371 HydrophobicContact CE1-CE2 3.77Å; F339-F371 HydrophobicContact CE1-CZ 4.06Å; F339-F371 AromaticContact CZ-CE2 3.65Å; F339-F371 HydrophobicContact CZ-CE2 3.65Å; F339-F371 AromaticContact CZ-CZ 3.89Å; F339-F371 HydrophobicContact CZ-CZ 3.89Å; L358-F371 HydrophobicContact CD1-CD2 4.21Å; V360-F371 HydrophobicContact CB-CB 4.33Å; V360-F371 HydrophobicContact CG1-CB 4.32Å; V360-F371 HydrophobicContact CG2-CB 3.84Å; L369-F371 HydrophobicContact CD2-CD1 4.37Å; F371-V373 HydrophobicContact CD2-CG2 3.96Å; F371-V373 HydrophobicContact CE2-CG2 3.9Å; F371-M389 CarbonylContact O-C 3.42Å; F371-M389 WeakPolarHBondContact O-CA 3.2Å; F371-G390 WeakPolarHBondContact CD1-O 3.49Å; F371-G390 PolarHBondContact N-O 2.83Å; F371-G390 PolarHBondContact O-N 3.42Å; F371-V392 HydrophobicContact CD1-CG2 3.82Å; F371-V392 HydrophobicContact CE1-CG2 3.65Å
372	S	50.7	Low	46.5	Very low	3 Å²	3	51.7 Å²	51.7	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.3	178.3	-61.3	0	0	0	0	110.7	L358 L359 F387 T388 L424 Q434	L358-S372 WeakPolarHBondContact CD1-O 3.49Å; L359-S372 PolarHBondContact N-O 3.25Å; L359-S372 VanDerWaalsContact N-O 3.09Å; L359-S372 PolarHBondContact O-N 3.41Å; S372-F387 WeakPolarHBondContact OG-CZ 3.24Å; S372-T388 CarbonylContact C-O 3.52Å; S372-T388 WeakPolarHBondContact CA-O 3.3Å; S372-L424 WeakPolarHBondContact OG-CD2 3.42Å; S372-Q434 PolarHBondContact OG-OE1 3.1Å
373	V	52.1	Low	46.9	Very low	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.8	179.2	-169.9	0	0	0	0	108.4	I305 L314 F339 L358 F371 V375 T388	I305-V373 HydrophobicContact CD1-CG2 3.55Å; I305-V373 HydrophobicContact CG2-CG2 4.46Å; L314-V373 HydrophobicContact CD2-CB 4.49Å; L314-V373 HydrophobicContact CD2-CG1 4.17Å; L314-V373 HydrophobicContact CD2-CG2 4.39Å; F339-V373 HydrophobicContact CE1-CG2 4.37Å; F339-V373 HydrophobicContact CZ-CG2 4.27Å; L358-V373 HydrophobicContact CD1-CB 4.08Å; L358-V373 HydrophobicContact CD1-CG1 4.46Å; L358-V373 HydrophobicContact CD1-CG2 3.36Å; F371-V373 HydrophobicContact CD2-CG2 3.96Å; F371-V373 HydrophobicContact CE2-CG2 3.9Å; V373-V375 HydrophobicContact CG1-CG2 3.89Å; V373-T388 PolarHBondContact N-O 2.8Å; V373-T388 PolarHBondContact O-N 2.98Å
374	I	49.7	Very low	47.4	Very low	5 Å²	5	50 Å²	50	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.1	165.6	-58.2	-168	0	0	0	110	C355 Y385 Y386 F387 W422 L436	C355-I374 PolarHBondContact N-O 2.97Å; C355-I374 VanDerWaalsContact O-O 3.09Å; I374-Y385 HydrophobicContact CG2-CD1 4Å; I374-Y386 CarbonylContact C-O 3.4Å; I374-Y386 VanDerWaalsContact CA-O 3.25Å; I374-Y386 WeakPolarHBondContact CA-O 3.46Å; I374-F387 HydrophobicContact CD1-CD2 3.99Å; I374-F387 HydrophobicContact CG1-CD2 3.87Å; I374-W422 HydrophobicContact CB-CH2 3.9Å; I374-W422 HydrophobicContact CB-CZ2 3.88Å; I374-W422 HydrophobicContact CD1-CD2 3.56Å; I374-W422 HydrophobicContact CD1-CE3 3.58Å; I374-W422 HydrophobicContact CD1-CG 4.14Å; I374-W422 HydrophobicContact CD1-CH2 3.66Å; I374-W422 HydrophobicContact CD1-CZ2 3.79Å; I374-W422 HydrophobicContact CD1-CZ3 3.63Å; I374-W422 HydrophobicContact CG1-CH2 3.9Å; I374-W422 HydrophobicContact CG1-CZ2 4.2Å; I374-W422 HydrophobicContact CG1-CZ3 4.19Å; I374-W422 HydrophobicContact CG2-CZ2 4.18Å; I374-L436 HydrophobicContact CD1-CD1 4.38Å
375	V	50.7	Low	48.3	Very low	5 Å²	5	43.3 Å²	43.3	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.2	178.8	-174.6	0	0	0	0	108.8	L314 V352 V373 Y385 Y386	L314-V375 HydrophobicContact CD1-CG2 4.47Å; L314-V375 HydrophobicContact CD2-CG2 4.22Å; V352-V375 HydrophobicContact CG1-CG1 3.4Å; V373-V375 HydrophobicContact CG1-CG2 3.89Å; V375-Y385 CarbonylContact O-C 3.57Å; V375-Y385 WeakPolarHBondContact O-CA 3.28Å; V375-Y386 PolarHBondContact N-O 2.79Å; V375-Y386 PolarHBondContact O-N 3.5Å
376	K	48.9	Very low	48.9	Very low	50 Å²	50	36.8 Å²	36.8	22%	0.217	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.8	173	178.7	-175.5	-178.1	173.2	0	109.9	V352 K353 C355 C378 C383 Y385	V352-K376 WeakPolarHBondContact CG1-O 3.45Å; K353-K376 PolarHBondContact N-O 2.74Å; K353-K376 WeakPolarHBondContact O-CB 3.31Å; K353-K376 PolarHBondContact O-N 3.23Å; C355-K376 HydrophobicContact CB-CB 4.37Å; C355-K376 WeakPolarHBondContact SG-CB 3.4Å; K376-C378 VanDerWaalsContact CE-SG 3.56Å; K376-C378 PolarHBondContact O-N 3.08Å; K376-C383 WeakPolarHBondContact CE-SG 3.39Å; K376-Y385 HydrophobicContact CB-CD1 3.99Å; K376-Y385 HydrophobicContact CB-CE1 3.87Å; K376-Y385 HydrophobicContact CD-CE1 3.95Å; K376-Y385 HydrophobicContact CD-CE2 4.45Å; K376-Y385 HydrophobicContact CG-CD1 4.29Å; K376-Y385 HydrophobicContact CG-CE1 3.91Å; K376-Y385 HydrophobicContact CG-CE2 4.29Å
377	G	49.3	Very low	49.4	Very low	8 Å²	8	32.7 Å²	32.7	8%	0.082	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	114.7	160.9	0	0	0	0	0	109.1	C383 T384	G377-C383 CarbonylContact O-C 3.47Å; G377-C383 WeakPolarHBondContact O-CA 3.24Å; G377-T384 WeakPolarHBondContact CA-O 3.31Å; G377-T384 PolarHBondContact N-O 3.5Å; G377-T384 PolarHBondContact O-N 3.13Å
378	C	45.3	Very low	49.6	Very low	31 Å²	31	29.8 Å²	29.8	21%	0.209	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.7	168.2	-62.9	0	0	0	0	106.6	A350 K376	A350-C378 WeakPolarHBondContact CB-O 3.46Å; K376-C378 VanDerWaalsContact CE-SG 3.56Å; K376-C378 PolarHBondContact O-N 3.08Å
379	L	45	Very low	49.8	Very low	57 Å²	57	27 Å²	27	30%	0.298	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	156	157.5	-73.2	158.4	0	0	0	107.6	D349 A350 N381 S382	D349-L379 HydrophobicContact CB-CD2 3.77Å; A350-L379 HydrophobicContact CB-CD2 4.26Å; L379-N381 PolarHBondContact O-N 3.28Å; L379-S382 WeakPolarHBondContact CA-O 3.41Å; L379-S382 WeakPolarHBondContact CB-O 3.25Å; L379-S382 WeakPolarHBondContact CD1-OG 3.45Å; L379-S382 PolarHBondContact N-O 3.47Å; L379-S382 PolarHBondContact O-N 2.82Å; L379-S382 VanDerWaalsContact O-O 3.04Å
380	L	45	Very low	50	Low	154 Å²	154	25.9 Å²	25.9	81%	0.806	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46	-34.6	-179.8	-85.6	150.5	0	0	0	113.3
381	N	46.4	Very low	50.1	Low	127 Å²	127	27 Å²	27	68%	0.679	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	4.8	-175.4	-61.3	-21	0	0	0	114.4	L379	L379-N381 PolarHBondContact O-N 3.28Å
382	S	46.3	Very low	50.2	Low	23 Å²	23	27 Å²	27	16%	0.161	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	142.5	179	70.6	0	0	0	0	112	L379	L379-S382 WeakPolarHBondContact CA-O 3.41Å; L379-S382 WeakPolarHBondContact CB-O 3.25Å; L379-S382 WeakPolarHBondContact CD1-OG 3.45Å; L379-S382 PolarHBondContact N-O 3.47Å; L379-S382 PolarHBondContact O-N 2.82Å; L379-S382 VanDerWaalsContact O-O 3.04Å
383	C	47.6	Very low	50.7	Low	18 Å²	18	27.7 Å²	27.7	12%	0.122	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.1	166.8	-67.7	0	0	0	0	107.1	K376 G377 Y385 V410	K376-C383 WeakPolarHBondContact CE-SG 3.39Å; G377-C383 CarbonylContact O-C 3.47Å; G377-C383 WeakPolarHBondContact O-CA 3.24Å; C383-Y385 HydrophobicContact CB-CE2 4.03Å; C383-V410 WeakPolarHBondContact O-CG2 3.47Å
384	T	48.6	Very low	50.9	Low	16 Å²	16	28.3 Å²	28.3	10%	0.098	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.1	167.7	-55.4	0	0	0	0	107.7	G377 Y386	G377-T384 WeakPolarHBondContact CA-O 3.31Å; G377-T384 PolarHBondContact N-O 3.5Å; G377-T384 PolarHBondContact O-N 3.13Å; T384-Y386 HydrophobicContact CG2-CE1 3.85Å; T384-Y386 HydrophobicContact CG2-CE2 3.92Å; T384-Y386 VanDerWaalsContact CG2-CZ 3.47Å; T384-Y386 WeakPolarHBondContact CG2-OH 3.31Å
385	Y	52	Low	51.4	Low	13 Å²	13	32.3 Å²	32.3	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.3	175.1	-68.5	-105.3	0	0	0	108.4	I374 V375 K376 C383 I408 V410 L420	I374-Y385 HydrophobicContact CG2-CD1 4Å; V375-Y385 CarbonylContact O-C 3.57Å; V375-Y385 WeakPolarHBondContact O-CA 3.28Å; K376-Y385 HydrophobicContact CB-CD1 3.99Å; K376-Y385 HydrophobicContact CB-CE1 3.87Å; K376-Y385 HydrophobicContact CD-CE1 3.95Å; K376-Y385 HydrophobicContact CD-CE2 4.45Å; K376-Y385 HydrophobicContact CG-CD1 4.29Å; K376-Y385 HydrophobicContact CG-CE1 3.91Å; K376-Y385 HydrophobicContact CG-CE2 4.29Å; C383-Y385 HydrophobicContact CB-CE2 4.03Å; Y385-I408 PolarHBondContact N-O 2.81Å; Y385-I408 WeakPolarHBondContact O-CA 3.44Å; Y385-I408 VanDerWaalsContact O-CB 3.29Å; Y385-I408 WeakPolarHBondContact O-CB 3.43Å; Y385-I408 PolarHBondContact O-N 2.97Å; Y385-V410 HydrophobicContact CD2-CG2 3.52Å; Y385-V410 HydrophobicContact CE2-CG2 4.02Å; Y385-L420 HydrophobicContact CD1-CD1 4.23Å; Y385-L420 HydrophobicContact CD2-CD1 3.33Å; Y385-L420 HydrophobicContact CE1-CD1 4.16Å; Y385-L420 HydrophobicContact CE2-CD1 3.27Å; Y385-L420 HydrophobicContact CE2-CG 4.07Å; Y385-L420 HydrophobicContact CG-CD1 3.84Å
386	Y	52.5	Low	51.7	Low	9 Å²	9	35.1 Å²	35.1	4%	0.035	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.7	177.7	-61.3	-80	0	0	0	107.8	L342 M346 I374 V375 T384 L405 I406 P407	L342-Y386 HydrophobicContact CD2-CD1 4.29Å; L342-Y386 HydrophobicContact CD2-CD2 4.26Å; L342-Y386 HydrophobicContact CD2-CG 4.05Å; M346-Y386 HydrophobicContact CE-CE1 3.54Å; M346-Y386 WeakPolarHBondContact CE-OH 3.2Å; M346-Y386 VanDerWaalsContact CG-OH 3.29Å; M346-Y386 WeakPolarHBondContact CG-OH 3.31Å; M346-Y386 HydrophobicContact SD-CE1 3.53Å; M346-Y386 VanDerWaalsContact SD-CE1 3.53Å; M346-Y386 PolarHBondContact SD-OH 3.45Å; I374-Y386 CarbonylContact C-O 3.4Å; I374-Y386 VanDerWaalsContact CA-O 3.25Å; I374-Y386 WeakPolarHBondContact CA-O 3.46Å; V375-Y386 PolarHBondContact N-O 2.79Å; V375-Y386 PolarHBondContact O-N 3.5Å; T384-Y386 HydrophobicContact CG2-CE1 3.85Å; T384-Y386 HydrophobicContact CG2-CE2 3.92Å; T384-Y386 VanDerWaalsContact CG2-CZ 3.47Å; T384-Y386 WeakPolarHBondContact CG2-OH 3.31Å; Y386-L405 HydrophobicContact CD1-CD2 3.51Å; Y386-L405 HydrophobicContact CE1-CD2 4.31Å; Y386-L405 HydrophobicContact CG-CD2 4.07Å; Y386-I406 WeakPolarHBondContact CA-O 3.37Å; Y386-P407 HydrophobicContact CD1-CB 4.24Å; Y386-P407 HydrophobicContact CE1-CB 4.03Å
387	F	53.2	Low	52.4	Low	13 Å²	13	39.1 Å²	39.1	6%	0.057	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.6	171.1	177.5	-92.9	0	0	0	108.8	S372 I374 M389 I406 I408 L424 L436	S372-F387 WeakPolarHBondContact OG-CZ 3.24Å; I374-F387 HydrophobicContact CD1-CD2 3.99Å; I374-F387 HydrophobicContact CG1-CD2 3.87Å; F387-M389 HydrophobicContact CE1-CB 4.24Å; F387-M389 HydrophobicContact CE1-CE 3.98Å; F387-M389 HydrophobicContact CZ-CE 4.3Å; F387-I406 HydrophobicContact CD1-CD1 4.36Å; F387-I406 PolarHBondContact N-O 2.87Å; F387-I406 PolarHBondContact O-N 2.87Å; F387-I408 HydrophobicContact CB-CD1 3.98Å; F387-I408 HydrophobicContact CB-CG1 4.36Å; F387-L424 HydrophobicContact CE2-CD1 3.77Å; F387-L424 HydrophobicContact CE2-CD2 4.12Å; F387-L424 HydrophobicContact CZ-CD1 3.73Å; F387-L424 HydrophobicContact CZ-CD2 4.19Å; F387-L436 HydrophobicContact CD2-CD1 4.38Å; F387-L436 HydrophobicContact CD2-CD2 4.36Å; F387-L436 HydrophobicContact CE2-CD1 4.46Å
388	T	53.8	Low	52.8	Low	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.4	-177.7	-48.7	0	0	0	0	110.2	F339 S372 V373 V402 R404 L405	F339-T388 HydrophobicContact CD1-CG2 3.22Å; F339-T388 HydrophobicContact CE1-CG2 3.65Å; F339-T388 HydrophobicContact CG-CG2 4.27Å; S372-T388 CarbonylContact C-O 3.52Å; S372-T388 WeakPolarHBondContact CA-O 3.3Å; V373-T388 PolarHBondContact N-O 2.8Å; V373-T388 PolarHBondContact O-N 2.98Å; T388-V402 HydrophobicContact CG2-CG1 3.93Å; T388-R404 WeakPolarHBondContact CA-O 3.14Å; T388-L405 HydrophobicContact CG2-CD1 4.05Å; T388-L405 WeakPolarHBondContact OG1-CD1 3.29Å
389	M	52.5	Low	53.5	Low	9 Å²	9	44.9 Å²	44.9	4%	0.044	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.1	176.3	-167.1	-174.3	-49.6	0	0	110.3	V370 F371 F387 V403 R404 Q434 V456	V370-M389 HydrophobicContact CG1-CG 4.01Å; V370-M389 HydrophobicContact CG1-SD 4.03Å; F371-M389 CarbonylContact O-C 3.42Å; F371-M389 WeakPolarHBondContact O-CA 3.2Å; F387-M389 HydrophobicContact CE1-CB 4.24Å; F387-M389 HydrophobicContact CE1-CE 3.98Å; F387-M389 HydrophobicContact CZ-CE 4.3Å; M389-V403 HydrophobicContact CB-CB 4.49Å; M389-V403 PolarHBondContact O-N 3.18Å; M389-R404 PolarHBondContact N-O 2.8Å; M389-Q434 HydrophobicContact CE-CB 4.14Å; M389-Q434 HydrophobicContact CE-CG 4.23Å; M389-V456 HydrophobicContact CE-CG1 4.2Å; M389-V456 HydrophobicContact CE-CG2 4.17Å; M389-V456 HydrophobicContact SD-CG1 3.79Å
390	G	55.9	Low	54.3	Low	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.7	171.9	0	0	0	0	0	112.1	V370 F371 S401	V370-G390 CarbonylContact C-O 3.48Å; V370-G390 WeakPolarHBondContact CA-O 3.36Å; F371-G390 WeakPolarHBondContact CD1-O 3.49Å; F371-G390 PolarHBondContact N-O 2.83Å; F371-G390 PolarHBondContact O-N 3.42Å; G390-S401 CarbonylContact C-O 3.49Å; G390-S401 VanDerWaalsContact CA-O 3.28Å; G390-S401 WeakPolarHBondContact CA-O 3.44Å
391	V	53.2	Low	54.8	Low	25 Å²	25	39 Å²	39	15%	0.152	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.4	174.3	-177.6	0	0	0	0	108	F368 L369 V370 S401 V403	F368-V391 HydrophobicContact CD1-CG1 3.99Å; L369-V391 CarbonylContact O-C 3.45Å; L369-V391 WeakPolarHBondContact O-CA 3.47Å; V370-V391 HydrophobicContact CG1-CG2 4.35Å; V370-V391 HydrophobicContact CG2-CG2 4.23Å; V391-S401 PolarHBondContact N-O 2.86Å; V391-S401 PolarHBondContact O-N 3.44Å; V391-V403 HydrophobicContact CG2-CG2 3.71Å
392	V	55.8	Low	55.2	Low	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.6	175.7	176.4	0	0	0	0	107.8	L318 F368 L369 F371 M394 R399	L318-V392 HydrophobicContact CD1-CB 4.28Å; L318-V392 HydrophobicContact CD1-CG1 3.64Å; L318-V392 HydrophobicContact CD1-CG2 3.98Å; L318-V392 HydrophobicContact CD2-CB 4.32Å; L318-V392 HydrophobicContact CD2-CG1 3.57Å; L318-V392 HydrophobicContact CD2-CG2 3.79Å; L318-V392 HydrophobicContact CG-CG1 4.22Å; L318-V392 HydrophobicContact CG-CG2 4.4Å; F368-V392 CarbonylContact C-O 3.56Å; F368-V392 WeakPolarHBondContact CA-O 3.38Å; L369-V392 HydrophobicContact CB-CB 4.07Å; L369-V392 HydrophobicContact CD2-CB 4.05Å; L369-V392 HydrophobicContact CD2-CG2 3.83Å; L369-V392 PolarHBondContact N-O 3.49Å; L369-V392 PolarHBondContact O-N 2.97Å; F371-V392 HydrophobicContact CD1-CG2 3.82Å; F371-V392 HydrophobicContact CE1-CG2 3.65Å; V392-M394 HydrophobicContact CG1-CG 4.21Å; V392-M394 HydrophobicContact CG1-SD 3.76Å; V392-R399 CarbonylContact C-O 3.47Å; V392-R399 VanDerWaalsContact CA-O 3.25Å; V392-R399 WeakPolarHBondContact CA-O 3.43Å
393	S	60.2	Low	55.3	Low	17 Å²	17	34.9 Å²	34.9	12%	0.119	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.7	171.1	166.6	0	0	0	0	109.8	N367 P398 R399	N367-S393 CarbonylContact O-C 3.52Å; N367-S393 WeakPolarHBondContact O-CA 3.21Å; S393-P398 CarbonylContact O-C 3.51Å; S393-R399 PolarHBondContact N-O 3.14Å; S393-R399 PolarHBondContact O-N 3.03Å
394	M	57.5	Low	55.3	Low	13 Å²	13	39.8 Å²	39.8	6%	0.064	21%	0.212	C	C	.	.			trans	-111.4	17.1	-172.9	-66.9	-54.4	-59.4	0	0	115	L260 C301 R320 N367 V392 G396 P398	L260-M394 HydrophobicContact CD1-CB 4.42Å; L260-M394 HydrophobicContact CD1-CG 4.44Å; L260-M394 HydrophobicContact CD2-CE 3.73Å; L260-M394 HydrophobicContact CD2-CG 4.21Å; C301-M394 HydrophobicContact CB-CE 3.49Å; C301-M394 VanDerWaalsContact CB-CE 3.49Å; C301-M394 HydrophobicContact CB-SD 4.12Å; C301-M394 WeakPolarHBondContact SG-CE 3.39Å; C301-M394 PolarHBondContact SG-SD 3.15Å; R320-M394 HydrophobicContact CB-CE 4.23Å; R320-M394 HydrophobicContact CG-CE 4.28Å; N367-M394 PolarHBondContact O-N 3.4Å; V392-M394 HydrophobicContact CG1-CG 4.21Å; V392-M394 HydrophobicContact CG1-SD 3.76Å; M394-G396 PolarHBondContact O-N 3.34Å; M394-G396 VanDerWaalsContact O-N 3.12Å; M394-P398 HydrophobicContact CE-CB 4.24Å; M394-P398 HydrophobicContact SD-CB 4.02Å
395	N	59.8	Low	55.1	Low	89 Å²	89	40.4 Å²	40.4	48%	0.476	22%	0.215	S	C	.	.	S	Bend	trans	-73.4	98.4	179.4	-71.4	-16.5	0	0	0	113.1	N367 K397	N367-N395 WeakPolarHBondContact CB-OD1 3.48Å; N367-N395 PolarHBondContact ND2-OD1 2.73Å; N395-K397 PolarHBondContact O-N 3.44Å
396	G	57.7	Low	54.9	Low	65 Å²	65	40.8 Å²	40.8	67%	0.67	22%	0.217	S	C	*	.	S	Bend	trans	70.2	-34	169.9	0	0	0	0	0	115.9	M394	M394-G396 PolarHBondContact O-N 3.34Å; M394-G396 VanDerWaalsContact O-N 3.12Å
397	K	63.3	Low	54.5	Low	134 Å²	134	43.3 Å²	43.3	58%	0.583	24%	0.235	S	C	*	.	S	Bend	trans	-136.3	141.9	164.2	-67	-170.6	177.3	-175.8	0	108.4	V333 N395 R399	V333-K397 HydrophobicContact CG1-CB 4.33Å; V333-K397 HydrophobicContact CG1-CD 4.48Å; V333-K397 HydrophobicContact CG1-CG 4.17Å; N395-K397 PolarHBondContact O-N 3.44Å; K397-R399 PolarHBondContact O-N 3.34Å
398	P	58.4	Low	54.2	Low	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.			trans	-59.8	131.7	170.1	26.1	-31.2	0	0	0	108.8	L318 R320 V333 E335 S393 M394	L318-P398 HydrophobicContact CB-CB 3.65Å; L318-P398 HydrophobicContact CB-CG 4.34Å; L318-P398 HydrophobicContact CD1-CB 4.36Å; R320-P398 HydrophobicContact CB-CG 4.35Å; V333-P398 HydrophobicContact CB-CG 4.44Å; V333-P398 HydrophobicContact CG1-CG 4.17Å; V333-P398 WeakPolarHBondContact O-CG 3.48Å; E335-P398 HydrophobicContact CB-CG 4.48Å; E335-P398 VanDerWaalsContact CB-O 3.28Å; E335-P398 WeakPolarHBondContact CB-O 3.39Å; S393-P398 CarbonylContact O-C 3.51Å; M394-P398 HydrophobicContact CE-CB 4.24Å; M394-P398 HydrophobicContact SD-CB 4.02Å
399	R	59.2	Low	53.6	Low	160 Å²	160	50.5 Å²	50.5	60%	0.604	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.3	173.2	-69.3	-173.1	177.7	-175.3	0.4	110.6	E335 V392 S393 K397	E335-R399 VanDerWaalsContact CD-CA 3.47Å; E335-R399 VanDerWaalsContact OE1-CA 3.24Å; E335-R399 WeakPolarHBondContact OE1-CA 3.36Å; E335-R399 WeakPolarHBondContact OE2-CA 3.14Å; E335-R399 WeakPolarHBondContact OE2-CG 3.47Å; V392-R399 CarbonylContact C-O 3.47Å; V392-R399 VanDerWaalsContact CA-O 3.25Å; V392-R399 WeakPolarHBondContact CA-O 3.43Å; S393-R399 PolarHBondContact N-O 3.14Å; S393-R399 PolarHBondContact O-N 3.03Å; K397-R399 PolarHBondContact O-N 3.34Å
400	G	61	Low	53.1	Low	13 Å²	13	50.9 Å²	50.9	13%	0.134	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.8	178.5	0	0	0	0	0	111.3	E335	E335-G400 PolarHBondContact OE1-N 3.47Å
401	S	56.7	Low	52.2	Low	74 Å²	74	56.4 Å²	56.4	52%	0.517	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.6	171.6	-173.2	0	0	0	0	110.2	G390 V391	G390-S401 CarbonylContact C-O 3.49Å; G390-S401 VanDerWaalsContact CA-O 3.28Å; G390-S401 WeakPolarHBondContact CA-O 3.44Å; V391-S401 PolarHBondContact N-O 2.86Å; V391-S401 PolarHBondContact O-N 3.44Å
402	V	54.2	Low	51.4	Low	31 Å²	31	61.5 Å²	61.5	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123	175.1	176.5	0	0	0	0	107.9	F337 F339 T388	F337-V402 HydrophobicContact CD2-CG2 3.61Å; F337-V402 HydrophobicContact CE2-CG2 3.93Å; F339-V402 HydrophobicContact CB-CG1 4.28Å; F339-V402 HydrophobicContact CB-CG2 4.22Å; F339-V402 HydrophobicContact CD1-CB 4.1Å; F339-V402 HydrophobicContact CD1-CG1 3.61Å; F339-V402 HydrophobicContact CD1-CG2 3.32Å; F339-V402 HydrophobicContact CD2-CG2 4.34Å; F339-V402 HydrophobicContact CE1-CG1 4.45Å; F339-V402 HydrophobicContact CE1-CG2 3.79Å; F339-V402 HydrophobicContact CG-CG1 4.31Å; F339-V402 HydrophobicContact CG-CG2 3.72Å; F339-V402 HydrophobicContact CZ-CG2 4.49Å; T388-V402 HydrophobicContact CG2-CG1 3.93Å
403	V	49.3	Very low	50.6	Low	33 Å²	33	68.2 Å²	68.2	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-50.6	-172.4	-178.6	0	0	0	0	110.4	M389 V391 L459	M389-V403 HydrophobicContact CB-CB 4.49Å; M389-V403 PolarHBondContact O-N 3.18Å; V391-V403 HydrophobicContact CG2-CG2 3.71Å; V403-L459 HydrophobicContact CG1-CB 3.79Å
404	R	46.7	Very low	49.7	Very low	120 Å²	120	68.5 Å²	68.5	45%	0.453	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	149.5	177.5	-163.3	169.7	178.7	168.4	-1.8	111.5	T388 M389 I406 L459	T388-R404 WeakPolarHBondContact CA-O 3.14Å; M389-R404 PolarHBondContact N-O 2.8Å; R404-I406 HydrophobicContact CG-CG1 4.12Å; R404-L459 HydrophobicContact CB-CD2 4.34Å; R404-L459 HydrophobicContact CG-CD2 4.5Å
405	L	43.9	Very low	48.5	Very low	29 Å²	29	69.7 Å²	69.7	15%	0.152	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.1	164.7	-162	127.5	0	0	0	109	L342 Y386 T388	L342-L405 HydrophobicContact CD2-CD1 3.48Å; L342-L405 VanDerWaalsContact CD2-CD1 3.48Å; L342-L405 HydrophobicContact CD2-CD2 3.58Å; L342-L405 HydrophobicContact CD2-CG 4.15Å; L342-L405 HydrophobicContact CG-CD1 3.86Å; L342-L405 HydrophobicContact CG-CD2 4.41Å; Y386-L405 HydrophobicContact CD1-CD2 3.51Å; Y386-L405 HydrophobicContact CE1-CD2 4.31Å; Y386-L405 HydrophobicContact CG-CD2 4.07Å; T388-L405 HydrophobicContact CG2-CD1 4.05Å; T388-L405 WeakPolarHBondContact OG1-CD1 3.29Å
406	I	47.9	Very low	47.1	Very low	21 Å²	21	75.7 Å²	75.7	11%	0.108	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119	-177.9	-56.8	174.5	0	0	0	108.3	Y386 F387 R404 I408 W454	Y386-I406 WeakPolarHBondContact CA-O 3.37Å; F387-I406 HydrophobicContact CD1-CD1 4.36Å; F387-I406 PolarHBondContact N-O 2.87Å; F387-I406 PolarHBondContact O-N 2.87Å; R404-I406 HydrophobicContact CG-CG1 4.12Å; I406-I408 PolarHBondContact O-N 2.9Å; I406-W454 HydrophobicContact CD1-CD2 4.04Å; I406-W454 HydrophobicContact CD1-CE3 3.83Å; I406-W454 HydrophobicContact CD1-CH2 4.01Å; I406-W454 HydrophobicContact CD1-CZ2 4.2Å; I406-W454 HydrophobicContact CD1-CZ3 3.81Å; I406-W454 HydrophobicContact CG1-CH2 4.32Å; I406-W454 HydrophobicContact CG1-CZ3 4.35Å; I406-W454 HydrophobicContact CG2-CH2 3.86Å; I406-W454 HydrophobicContact CG2-CZ2 3.76Å
407	P	44	Very low	46	Very low	62 Å²	62	76.3 Å²	76.3	40%	0.403	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	122.2	169.2	28.2	-31.4	0	0	0	109.4	Y386	Y386-P407 HydrophobicContact CD1-CB 4.24Å; Y386-P407 HydrophobicContact CE1-CB 4.03Å
408	I	46.8	Very low	44.7	Very low	27 Å²	27	72.7 Å²	72.7	14%	0.138	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	95.6	164.8	-53.6	172.3	0	0	0	105.7	Y385 F387 I406 V410 L436	Y385-I408 PolarHBondContact N-O 2.81Å; Y385-I408 WeakPolarHBondContact O-CA 3.44Å; Y385-I408 VanDerWaalsContact O-CB 3.29Å; Y385-I408 WeakPolarHBondContact O-CB 3.43Å; Y385-I408 PolarHBondContact O-N 2.97Å; F387-I408 HydrophobicContact CB-CD1 3.98Å; F387-I408 HydrophobicContact CB-CG1 4.36Å; I406-I408 PolarHBondContact O-N 2.9Å; I408-V410 PolarHBondContact O-N 3.24Å; I408-L436 HydrophobicContact CD1-CD2 4.1Å
409	H	41.8	Very low	43.6	Very low	138 Å²	138	79.2 Å²	79.2	64%	0.639	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	118.3	169.1	-90.6	-69.1	0	0	0	109.2	R438	H409-R438 PolarHBondContact O-NH1 3.48Å; H409-R438 PolarHBondContact O-NH2 2.84Å
410	V	41	Very low	42.5	Very low	16 Å²	16	72.4 Å²	72.4	10%	0.097	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-94.2	132.3	166.5	-130.6	0	0	0	0	105.2	C383 Y385 I408 L412 D414 L420	C383-V410 WeakPolarHBondContact O-CG2 3.47Å; Y385-V410 HydrophobicContact CD2-CG2 3.52Å; Y385-V410 HydrophobicContact CE2-CG2 4.02Å; I408-V410 PolarHBondContact O-N 3.24Å; V410-L412 PolarHBondContact O-N 2.93Å; V410-D414 HydrophobicContact CB-CB 4.46Å; V410-D414 HydrophobicContact CG1-CB 3.76Å; V410-D414 WeakPolarHBondContact CG1-OD2 3.13Å; V410-L420 HydrophobicContact CG1-CD1 3.95Å; V410-L420 HydrophobicContact CG1-CD2 4.21Å; V410-L420 HydrophobicContact CG1-CG 4.48Å; V410-L420 HydrophobicContact CG2-CD1 4.48Å
411	D	38.9	Very low	41.4	Very low	117 Å²	117	74.1 Å²	74.1	63%	0.626	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-61.6	143.5	179.9	-76.6	-36.9	0	0	0	108.2	Q413 D414	D411-Q413 PolarHBondContact O-N 3.18Å; D411-D414 PolarHBondContact N-OD2 2.71Å; D411-D414 WeakPolarHBondContact O-CB 3.28Å; D411-D414 PolarHBondContact O-N 3.35Å
412	L	35.5	Very low	40.6	Very low	132 Å²	132	72.2 Å²	72.2	69%	0.691	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-11.3	-175.3	-82.9	158.1	0	0	0	114.3	V410 V415	V410-L412 PolarHBondContact O-N 2.93Å; L412-V415 WeakPolarHBondContact O-CG2 3.37Å
413	Q	38.9	Very low	39.8	Very low	142 Å²	142	71.7 Å²	71.7	66%	0.664	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-8.7	-179.9	-63.8	-175.3	-5.6	0	0	114	D411 V415	D411-Q413 PolarHBondContact O-N 3.18Å; Q413-V415 PolarHBondContact O-N 2.73Å
414	D	40.3	Very low	39.3	Very low	23 Å²	23	71.1 Å²	71.1	12%	0.123	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-2	174.9	-72.9	-31.7	0	0	0	113.1	V410 D411 Y416 S418 R438 V440	V410-D414 HydrophobicContact CB-CB 4.46Å; V410-D414 HydrophobicContact CG1-CB 3.76Å; V410-D414 WeakPolarHBondContact CG1-OD2 3.13Å; D411-D414 PolarHBondContact N-OD2 2.71Å; D411-D414 WeakPolarHBondContact O-CB 3.28Å; D411-D414 PolarHBondContact O-N 3.35Å; D414-Y416 VanDerWaalsContact C-N 3.33Å; D414-Y416 PolarHBondContact O-N 2.81Å; D414-S418 PolarHBondContact O-OG 2.76Å; D414-R438 IonicContact OD2-NH2 3.05Å; D414-V440 VanDerWaalsContact OD2-CG1 3.24Å; D414-V440 WeakPolarHBondContact OD2-CG1 2.98Å
415	V	32.8	Very low	38.9	Very low	37 Å²	37	67.2 Å²	67.2	22%	0.224	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.1	-164.4	-178	0	0	0	0	113.2	L412 Q413 G417	L412-V415 WeakPolarHBondContact O-CG2 3.37Å; Q413-V415 PolarHBondContact O-N 2.73Å; V415-G417 PolarHBondContact O-N 2.89Å
416	Y	30.6	Very low	38.7	Very low	216 Å²	216	67.4 Å²	67.4	85%	0.847	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	85.5	-176	-73.5	-82.1	0	0	0	112	D414	D414-Y416 VanDerWaalsContact C-N 3.33Å; D414-Y416 PolarHBondContact O-N 2.81Å
417	G	34.3	Very low	38.1	Very low	78 Å²	78	68.1 Å²	68.1	80%	0.804	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	2.3	154.2	0	0	0	0	0	117.8	V415 E419	V415-G417 PolarHBondContact O-N 2.89Å; G417-E419 PolarHBondContact O-N 3.43Å
418	S	36	Very low	37.7	Very low	58 Å²	58	68.3 Å²	68.3	41%	0.406	37%	0.366	S	S	.	.			trans	-88.1	106.6	171.7	68	0	0	0	0	110.7	D414 L420	D414-S418 PolarHBondContact O-OG 2.76Å; S418-L420 PolarHBondContact O-N 2.86Å; S418-L420 VanDerWaalsContact O-N 3.14Å
419	E	35.5	Very low	37.3	Very low	137 Å²	137	73.3 Å²	73.3	64%	0.64	39%	0.393	S	S	*	.			trans	-64.9	111.1	161.9	-73.9	-169.5	156.2	0	0	107.6	G417 A421	G417-E419 PolarHBondContact O-N 3.43Å; E419-A421 PolarHBondContact O-N 3.4Å; E419-A421 VanDerWaalsContact O-N 3.1Å
420	L	37.4	Very low	37	Very low	17 Å²	17	71.8 Å²	71.8	9%	0.089	38%	0.381	C	S	.	.			trans	-56.1	118.8	174.5	-71.6	174.2	0	0	0	109.5	Y385 V410 S418 W422 F439	Y385-L420 HydrophobicContact CD1-CD1 4.23Å; Y385-L420 HydrophobicContact CD2-CD1 3.33Å; Y385-L420 HydrophobicContact CE1-CD1 4.16Å; Y385-L420 HydrophobicContact CE2-CD1 3.27Å; Y385-L420 HydrophobicContact CE2-CG 4.07Å; Y385-L420 HydrophobicContact CG-CD1 3.84Å; V410-L420 HydrophobicContact CG1-CD1 3.95Å; V410-L420 HydrophobicContact CG1-CD2 4.21Å; V410-L420 HydrophobicContact CG1-CG 4.48Å; V410-L420 HydrophobicContact CG2-CD1 4.48Å; S418-L420 PolarHBondContact O-N 2.86Å; S418-L420 VanDerWaalsContact O-N 3.14Å; L420-W422 PolarHBondContact O-NE1 2.97Å; L420-F439 WeakPolarHBondContact CD2-O 3.44Å
421	A	36.7	Very low	36.9	Very low	49 Å²	49	71.4 Å²	71.4	41%	0.405	38%	0.379	S	S	.	.			trans	-80.3	130.8	164.5	0	0	0	0	0	108.7	E419 F439	E419-A421 PolarHBondContact O-N 3.4Å; E419-A421 VanDerWaalsContact O-N 3.1Å; A421-F439 HydrophobicContact CB-CD2 3.81Å; A421-F439 WeakPolarHBondContact O-CD2 2.95Å; A421-F439 PolarHBondContact O-N 3.25Å
422	W	40.2	Very low	36.8	Very low	34 Å²	34	68 Å²	68	13%	0.129	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.7	177.9	42.6	-98.1	0	0	0	110.4	K357 I374 L420 L436 L437	K357-W422 HydrophobicContact CB-CH2 3.18Å; K357-W422 HydrophobicContact CB-CZ2 3.96Å; K357-W422 HydrophobicContact CB-CZ3 3.71Å; K357-W422 HydrophobicContact CD-CD2 4.47Å; K357-W422 HydrophobicContact CD-CE3 4.21Å; K357-W422 HydrophobicContact CD-CH2 3.44Å; K357-W422 VanDerWaalsContact CD-CH2 3.44Å; K357-W422 HydrophobicContact CD-CZ2 3.59Å; K357-W422 HydrophobicContact CD-CZ3 3.7Å; K357-W422 HydrophobicContact CG-CH2 3.25Å; K357-W422 HydrophobicContact CG-CZ2 3.49Å; K357-W422 VanDerWaalsContact CG-CZ2 3.49Å; K357-W422 HydrophobicContact CG-CZ3 3.97Å; K357-W422 WeakPolarHBondContact O-CH2 3.19Å; I374-W422 HydrophobicContact CB-CH2 3.9Å; I374-W422 HydrophobicContact CB-CZ2 3.88Å; I374-W422 HydrophobicContact CD1-CD2 3.56Å; I374-W422 HydrophobicContact CD1-CE3 3.58Å; I374-W422 HydrophobicContact CD1-CG 4.14Å; I374-W422 HydrophobicContact CD1-CH2 3.66Å; I374-W422 HydrophobicContact CD1-CZ2 3.79Å; I374-W422 HydrophobicContact CD1-CZ3 3.63Å; I374-W422 HydrophobicContact CG1-CH2 3.9Å; I374-W422 HydrophobicContact CG1-CZ2 4.2Å; I374-W422 HydrophobicContact CG1-CZ3 4.19Å; I374-W422 HydrophobicContact CG2-CZ2 4.18Å; L420-W422 PolarHBondContact O-NE1 2.97Å; W422-L436 HydrophobicContact CB-CD1 4.34Å; W422-L437 WeakPolarHBondContact CA-O 3.4Å; W422-L437 WeakPolarHBondContact CB-O 3.38Å
423	S	37	Very low	37	Very low	20 Å²	20	63 Å²	63	14%	0.14	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.4	173.4	-94.6	0	0	0	0	111.5	L436 L437 F506	S423-L436 CarbonylContact O-C 3.57Å; S423-L436 VanDerWaalsContact O-CA 3.31Å; S423-L436 WeakPolarHBondContact O-CA 3.41Å; S423-L437 PolarHBondContact N-O 3.14Å; S423-L437 PolarHBondContact O-N 3.27Å; S423-F506 VanDerWaalsContact CB-CZ 3.4Å; S423-F506 WeakPolarHBondContact OG-CD1 3.2Å; S423-F506 WeakPolarHBondContact OG-CE1 3.37Å; S423-F506 WeakPolarHBondContact OG-CZ 3.26Å
424	L	38.7	Very low	37.1	Very low	20 Å²	20	56.4 Å²	56.4	11%	0.105	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128	179.1	-173.5	75.8	0	0	0	109.6	L359 S372 F387 Q434 C435 L436	L359-L424 HydrophobicContact CB-CD2 4.34Å; L359-L424 HydrophobicContact CD2-CB 3.77Å; L359-L424 HydrophobicContact CD2-CD2 4.02Å; L359-L424 HydrophobicContact CD2-CG 4.22Å; L359-L424 VanDerWaalsContact CD2-O 3.3Å; L359-L424 WeakPolarHBondContact CD2-O 3.29Å; S372-L424 WeakPolarHBondContact OG-CD2 3.42Å; F387-L424 HydrophobicContact CE2-CD1 3.77Å; F387-L424 HydrophobicContact CE2-CD2 4.12Å; F387-L424 HydrophobicContact CZ-CD1 3.73Å; F387-L424 HydrophobicContact CZ-CD2 4.19Å; L424-Q434 HydrophobicContact CD1-CB 3.92Å; L424-Q434 HydrophobicContact CD1-CG 4.29Å; L424-Q434 HydrophobicContact CG-CG 4.42Å; L424-C435 CarbonylContact C-O 3.48Å; L424-C435 WeakPolarHBondContact CA-O 3.29Å; L424-L436 HydrophobicContact CD1-CB 4.26Å; L424-L436 HydrophobicContact CD1-CD1 4.49Å
425	F	38.9	Very low	37.1	Very low	39 Å²	39	56 Å²	56	17%	0.171	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	156.5	175.6	-46.4	-84.9	0	0	0	110.6	Q434 C435 L437 C504 F506	F425-Q434 CarbonylContact O-C 3.58Å; F425-Q434 WeakPolarHBondContact O-CA 3.47Å; F425-C435 HydrophobicContact CB-CB 3.99Å; F425-C435 HydrophobicContact CD2-CB 3.59Å; F425-C435 WeakPolarHBondContact CD2-O 3.13Å; F425-C435 VanDerWaalsContact CD2-SG 3.58Å; F425-C435 HydrophobicContact CG-CB 4.23Å; F425-C435 PolarHBondContact N-O 3.35Å; F425-C435 PolarHBondContact O-N 3.19Å; F425-L437 HydrophobicContact CE2-CB 4.46Å; F425-L437 HydrophobicContact CE2-CD1 3.26Å; F425-L437 HydrophobicContact CE2-CG 3.6Å; F425-L437 HydrophobicContact CZ-CD1 3.25Å; F425-L437 HydrophobicContact CZ-CG 4.12Å; F425-C504 HydrophobicContact CD1-CB 3.46Å; F425-C504 VanDerWaalsContact CD1-CB 3.46Å; F425-C504 WeakPolarHBondContact CD1-SG 3.29Å; F425-C504 HydrophobicContact CE1-CB 3.12Å; F425-C504 WeakPolarHBondContact CE1-SG 3.45Å; F425-C504 HydrophobicContact CZ-CB 4.31Å; F425-F506 HydrophobicContact CE1-CE2 4.22Å; F425-F506 HydrophobicContact CE1-CZ 4.31Å; F425-F506 HydrophobicContact CZ-CE2 4.17Å; F425-F506 AromaticContact CZ-CZ 3.83Å; F425-F506 HydrophobicContact CZ-CZ 3.83Å
426	T	39.2	Very low	37.4	Very low	32 Å²	32	55.6 Å²	55.6	20%	0.196	30%	0.298	C	S	.	.			trans	-150.5	122.8	172.3	12.4	0	0	0	0	106.4	V361 P431 Q434	V361-T426 HydrophobicContact CB-CG2 4.25Å; V361-T426 HydrophobicContact CG1-CG2 3.83Å; V361-T426 WeakPolarHBondContact CG1-OG1 3.22Å; V361-T426 HydrophobicContact CG2-CG2 4.12Å; V361-T426 WeakPolarHBondContact CG2-OG1 3.22Å; T426-P431 WeakPolarHBondContact CG2-O 3.28Å; T426-Q434 HydrophobicContact CG2-CG 3.33Å
427	P	34.6	Very low	37.9	Very low	37 Å²	37	45.6 Å²	45.6	24%	0.24	26%	0.26	C	S	.	.			trans	-68.6	135.2	171.3	26.6	-27.6	0	0	0	109.3	N429 R430 S433	P427-N429 PolarHBondContact O-N 3.45Å; P427-R430 WeakPolarHBondContact CD-O 3.29Å; P427-R430 HydrophobicContact CG-CB 3.98Å; P427-R430 WeakPolarHBondContact CG-O 3.16Å; P427-R430 CarbonylContact O-C 3.58Å; P427-R430 PolarHBondContact O-N 2.93Å; P427-S433 WeakPolarHBondContact CD-O 3.1Å
428	Q	37.3	Very low	38.2	Very low	66 Å²	66	44 Å²	44	31%	0.308	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-39	-179.6	-73	174.1	-40.8	0	0	112	R430 S521	Q428-R430 VanDerWaalsContact C-N 3.27Å; Q428-R430 PolarHBondContact O-N 3.38Å; Q428-S521 PolarHBondContact NE2-O 3.28Å; Q428-S521 PolarHBondContact OE1-O 3.12Å
429	N	37.1	Very low	38.2	Very low	131 Å²	131	43.4 Å²	43.4	70%	0.701	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.2	-178.6	-59.8	-8	0	0	0	113	P427	P427-N429 PolarHBondContact O-N 3.45Å
430	R	37.1	Very low	38.3	Very low	106 Å²	106	37.8 Å²	37.8	40%	0.4	19%	0.194	S	C	.	.			trans	-145.1	77.5	-179.2	-65.6	-176.3	-179.2	175.1	-2.1	109.9	P427 Q428 Y432 S433 N494 C497	P427-R430 WeakPolarHBondContact CD-O 3.29Å; P427-R430 HydrophobicContact CG-CB 3.98Å; P427-R430 WeakPolarHBondContact CG-O 3.16Å; P427-R430 CarbonylContact O-C 3.58Å; P427-R430 PolarHBondContact O-N 2.93Å; Q428-R430 VanDerWaalsContact C-N 3.27Å; Q428-R430 PolarHBondContact O-N 3.38Å; R430-Y432 PolarHBondContact O-N 3.01Å; R430-S433 WeakPolarHBondContact O-CB 3.25Å; R430-S433 PolarHBondContact O-N 3.27Å; R430-N494 PolarHBondContact NH1-ND2 2.89Å; R430-C497 PolarHBondContact NH2-SG 2.9Å
431	P	37.8	Very low	38.1	Very low	9 Å²	9	39.1 Å²	39.1	6%	0.058	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19	178.9	30.5	-43	0	0	0	113.3	S363 T426 S433	S363-P431 WeakPolarHBondContact OG-CG 3.25Å; T426-P431 WeakPolarHBondContact CG2-O 3.28Å; P431-S433 PolarHBondContact O-N 3.05Å
432	Y	37.7	Very low	37.9	Very low	45 Å²	45	38.4 Å²	38.4	18%	0.176	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	28.7	172.6	-44.5	-70.6	0	0	0	112	V370 R430 V456 I460	V370-Y432 HydrophobicContact CG2-CE1 4.49Å; R430-Y432 PolarHBondContact O-N 3.01Å; Y432-V456 WeakPolarHBondContact O-CB 3.37Å; Y432-V456 WeakPolarHBondContact O-CG2 3.35Å; Y432-I460 HydrophobicContact CD1-CD1 3.39Å; Y432-I460 HydrophobicContact CE1-CD1 4.01Å; Y432-I460 HydrophobicContact CG-CD1 3.74Å
433	S	38.2	Very low	37.8	Very low	27 Å²	27	41.9 Å²	41.9	19%	0.189	23%	0.227	C	C	.	.			trans	-130.9	78.4	173.8	-66.4	0	0	0	0	107	P427 R430 P431	P427-S433 WeakPolarHBondContact CD-O 3.1Å; R430-S433 WeakPolarHBondContact O-CB 3.25Å; R430-S433 PolarHBondContact O-N 3.27Å; P431-S433 PolarHBondContact O-N 3.05Å
434	Q	41.2	Very low	37.4	Very low	4 Å²	4	45.5 Å²	45.5	2%	0.019	25%	0.249	C	C	.	.			trans	-84.3	139.5	-179.8	-80.8	-176.3	15.1	0	0	111.1	S372 M389 L424 F425 T426 V456 L492	S372-Q434 PolarHBondContact OG-OE1 3.1Å; M389-Q434 HydrophobicContact CE-CB 4.14Å; M389-Q434 HydrophobicContact CE-CG 4.23Å; L424-Q434 HydrophobicContact CD1-CB 3.92Å; L424-Q434 HydrophobicContact CD1-CG 4.29Å; L424-Q434 HydrophobicContact CG-CG 4.42Å; F425-Q434 CarbonylContact O-C 3.58Å; F425-Q434 WeakPolarHBondContact O-CA 3.47Å; T426-Q434 HydrophobicContact CG2-CG 3.33Å; Q434-V456 HydrophobicContact CB-CG2 4.17Å; Q434-L492 VanDerWaalsContact O-CB 3.27Å; Q434-L492 WeakPolarHBondContact O-CB 3.22Å; Q434-L492 WeakPolarHBondContact O-CD1 3.38Å
435	C	40	Very low	37	Very low	15 Å²	15	53.4 Å²	53.4	10%	0.101	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123	170.5	172.9	0	0	0	0	111.7	L424 F425 I490 L492	L424-C435 CarbonylContact C-O 3.48Å; L424-C435 WeakPolarHBondContact CA-O 3.29Å; F425-C435 HydrophobicContact CB-CB 3.99Å; F425-C435 HydrophobicContact CD2-CB 3.59Å; F425-C435 WeakPolarHBondContact CD2-O 3.13Å; F425-C435 VanDerWaalsContact CD2-SG 3.58Å; F425-C435 HydrophobicContact CG-CB 4.23Å; F425-C435 PolarHBondContact N-O 3.35Å; F425-C435 PolarHBondContact O-N 3.19Å; C435-I490 PolarHBondContact SG-O 2.75Å; C435-L492 HydrophobicContact CB-CB 3.89Å; C435-L492 HydrophobicContact CB-CG 3.98Å; C435-L492 PolarHBondContact SG-N 2.76Å
436	L	41	Very low	36.5	Very low	27 Å²	27	59.7 Å²	59.7	14%	0.141	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.9	179.1	176.1	70.2	0	0	0	109.6	I374 F387 I408 W422 S423 L424 I490 L492	I374-L436 HydrophobicContact CD1-CD1 4.38Å; F387-L436 HydrophobicContact CD2-CD1 4.38Å; F387-L436 HydrophobicContact CD2-CD2 4.36Å; F387-L436 HydrophobicContact CE2-CD1 4.46Å; I408-L436 HydrophobicContact CD1-CD2 4.1Å; W422-L436 HydrophobicContact CB-CD1 4.34Å; S423-L436 CarbonylContact O-C 3.57Å; S423-L436 VanDerWaalsContact O-CA 3.31Å; S423-L436 WeakPolarHBondContact O-CA 3.41Å; L424-L436 HydrophobicContact CD1-CB 4.26Å; L424-L436 HydrophobicContact CD1-CD1 4.49Å; L436-I490 WeakPolarHBondContact O-CB 3.49Å; L436-I490 WeakPolarHBondContact O-CG2 3.47Å; L436-L492 HydrophobicContact CB-CD1 4.17Å
437	L	39.8	Very low	36.1	Very low	6 Å²	6	60.9 Å²	60.9	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.2	170	-74.7	165.8	0	0	0	111.3	W422 S423 F425 L489 I490 F506	W422-L437 WeakPolarHBondContact CA-O 3.4Å; W422-L437 WeakPolarHBondContact CB-O 3.38Å; S423-L437 PolarHBondContact N-O 3.14Å; S423-L437 PolarHBondContact O-N 3.27Å; F425-L437 HydrophobicContact CE2-CB 4.46Å; F425-L437 HydrophobicContact CE2-CD1 3.26Å; F425-L437 HydrophobicContact CE2-CG 3.6Å; F425-L437 HydrophobicContact CZ-CD1 3.25Å; F425-L437 HydrophobicContact CZ-CG 4.12Å; L437-L489 HydrophobicContact CD2-CD1 3.53Å; L437-L489 HydrophobicContact CD2-CG 3.94Å; L437-I490 WeakPolarHBondContact CD2-O 3.4Å; L437-F506 HydrophobicContact CD1-CE1 4.44Å; L437-F506 HydrophobicContact CD1-CZ 3.83Å
438	R	40.1	Very low	35.7	Very low	45 Å²	45	64.3 Å²	64.3	17%	0.17	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127	172.6	179	-171.1	171.5	-166.7	-12.6	110	H409 D414 V440 N488 I490	H409-R438 PolarHBondContact O-NH1 3.48Å; H409-R438 PolarHBondContact O-NH2 2.84Å; D414-R438 IonicContact OD2-NH2 3.05Å; R438-V440 HydrophobicContact CG-CG2 3.8Å; R438-N488 CarbonylContact O-C 3.48Å; R438-N488 WeakPolarHBondContact O-CB 3.45Å; R438-I490 HydrophobicContact CB-CD1 3.5Å; R438-I490 VanDerWaalsContact CB-CD1 3.5Å; R438-I490 HydrophobicContact CB-CG1 4.3Å
439	F	37.9	Very low	35.3	Very low	45 Å²	45	61.3 Å²	61.3	20%	0.197	32%	0.319	C	S	.	.			trans	-97.1	133	169.5	-59.3	-86.8	0	0	0	110.2	L95 L420 A421 L487	L95-F439 HydrophobicContact CD2-CE2 4.19Å; L95-F439 HydrophobicContact CD2-CZ 3.84Å; L420-F439 WeakPolarHBondContact CD2-O 3.44Å; A421-F439 HydrophobicContact CB-CD2 3.81Å; A421-F439 WeakPolarHBondContact O-CD2 2.95Å; A421-F439 PolarHBondContact O-N 3.25Å; F439-L487 HydrophobicContact CD1-CD1 3.82Å; F439-L487 HydrophobicContact CD1-CG 4.13Å; F439-L487 HydrophobicContact CE1-CD1 3.78Å; F439-L487 HydrophobicContact CE1-CG 4.06Å
440	V	36.7	Very low	34.9	Very low	19 Å²	19	58.4 Å²	58.4	12%	0.115	30%	0.302	C	S	.	.			trans	-137.6	131.3	178.4	-167.7	0	0	0	0	108.8	D414 R438 P442 N488	D414-V440 VanDerWaalsContact OD2-CG1 3.24Å; D414-V440 WeakPolarHBondContact OD2-CG1 2.98Å; R438-V440 HydrophobicContact CG-CG2 3.8Å; V440-P442 WeakPolarHBondContact O-CD 3.48Å; V440-N488 WeakPolarHBondContact CB-ND2 3.29Å; V440-N488 PolarHBondContact O-ND2 3.46Å; V440-N488 VanDerWaalsContact O-ND2 3.09Å
441	A	33.7	Very low	34.6	Very low	45 Å²	45	53.8 Å²	53.8	37%	0.372	29%	0.285	S	S	.	.			trans	-91.2	112	170.4	0	0	0	0	0	108.9	K485	A441-K485 HydrophobicContact CB-CG 4.43Å
442	P	31.1	Very low	34.4	Very low	35 Å²	35	54.7 Å²	54.7	23%	0.227	29%	0.292	C	S	.	.			trans	-82.7	150.2	177.9	30.2	-26.1	0	0	0	111.7	V440 T486	V440-P442 WeakPolarHBondContact O-CD 3.48Å; P442-T486 VanDerWaalsContact CG-CB 3.44Å; P442-T486 WeakPolarHBondContact CG-OG1 3.23Å
443	C	37.9	Very low	34.1	Very low	106 Å²	106	53.4 Å²	53.4	72%	0.716	29%	0.29	S	S	*	.			trans	-100.2	4.9	173.8	-84.3	0	0	0	0	114.4
444	T	29.3	Very low	34	Very low	96 Å²	96	56.3 Å²	56.3	59%	0.589	30%	0.297	S	S	*	.	S	Bend	trans	-109.6	145.7	-176.5	53.3	0	0	0	0	113.4	Q446	T444-Q446 PolarHBondContact O-N 3.48Å
445	E	31.7	Very low	33.7	Very low	187 Å²	187	57.8 Å²	57.8	87%	0.874	31%	0.308	S	S	*	.	S	Bend	trans	-64.6	-18.5	-172.3	-64.9	-172.3	162.7	0	0	114.5	R447	E445-R447 PolarHBondContact O-N 3.09Å
446	Q	27.5	Very low	33.5	Very low	171 Å²	171	57.3 Å²	57.3	80%	0.799	31%	0.305	S	S	*	.	S	Bend	trans	-93	99.2	173.7	-75.3	-176	-14.7	0	0	110.6	T444 N448	T444-Q446 PolarHBondContact O-N 3.48Å; Q446-N448 PolarHBondContact O-N 2.91Å
447	R	30.8	Very low	33	Very low	57 Å²	57	59.8 Å²	59.8	22%	0.215	32%	0.318	C	S	.	.			trans	-89.2	81.5	-164.7	-55.7	179	-167.7	-157.8	1	112.3	E445 L480 S481 E482 N484	E445-R447 PolarHBondContact O-N 3.09Å; R447-L480 WeakPolarHBondContact CD-O 3.38Å; R447-L480 PolarHBondContact NH1-O 3.19Å; R447-S481 PolarHBondContact NH1-O 3.19Å; R447-S481 PolarHBondContact NH2-O 2.77Å; R447-E482 VanDerWaalsContact NH1-N 3.16Å; R447-N484 PolarHBondContact NH2-OD1 3.36Å
448	N	25.3	Very low	32.6	Very low	108 Å²	108	65.4 Å²	65.4	58%	0.578	34%	0.342	S	S	*	.			trans	-99.4	126.2	176.6	-70.6	-26.3	0	0	0	111.9	Q446	Q446-N448 PolarHBondContact O-N 2.91Å
449	L	29.5	Very low	32.3	Very low	4 Å²	4	64.5 Å²	64.5	2%	0.021	34%	0.341	C	S	.	.			trans	-72	120.2	162.1	-175.8	90.6	0	0	0	109.2	I451 S476 C477 T486 L487 N488	L449-I451 HydrophobicContact CD2-CD1 3.77Å; L449-I451 HydrophobicContact CD2-CG1 3.91Å; L449-I451 HydrophobicContact CG-CG1 4.34Å; L449-S476 PolarHBondContact O-OG 3.41Å; L449-C477 HydrophobicContact CD2-CB 3.45Å; L449-C477 VanDerWaalsContact CD2-CB 3.45Å; L449-T486 HydrophobicContact CB-CG2 4.28Å; L449-T486 HydrophobicContact CD1-CG2 4.26Å; L449-L487 WeakPolarHBondContact CD1-O 3.46Å; L449-N488 WeakPolarHBondContact CA-OD1 3.41Å; L449-N488 HydrophobicContact CD1-CB 4.45Å
450	I	28.7	Very low	31.8	Very low	70 Å²	70	66.3 Å²	66.3	36%	0.359	35%	0.351	S	S	.	.			trans	-108.3	114.3	176.6	-59.2	-179.9	0	0	0	110	K474 N488	I450-K474 HydrophobicContact CG2-CD 3.89Å; I450-K474 HydrophobicContact CG2-CG 3.94Å; I450-N488 PolarHBondContact N-OD1 2.79Å
451	I	31	Very low	31.4	Very low	8 Å²	8	69.4 Å²	69.4	4%	0.041	37%	0.371	C	S	.	.			trans	-98	135.6	171.6	-59.2	-170.5	0	0	0	107.7	L449 V473 K474 V475 C477 L489 I491	L449-I451 HydrophobicContact CD2-CD1 3.77Å; L449-I451 HydrophobicContact CD2-CG1 3.91Å; L449-I451 HydrophobicContact CG-CG1 4.34Å; I451-V473 CarbonylContact O-C 3.54Å; I451-K474 VanDerWaalsContact O-CA 3.28Å; I451-K474 WeakPolarHBondContact O-CA 3.28Å; I451-V475 HydrophobicContact CD1-CB 3.98Å; I451-V475 VanDerWaalsContact CD1-O 3.22Å; I451-V475 WeakPolarHBondContact CD1-O 3.4Å; I451-V475 WeakPolarHBondContact CG1-O 3.42Å; I451-C477 WeakPolarHBondContact CD1-SG 2.83Å; I451-L489 WeakPolarHBondContact CD1-O 2.92Å; I451-L489 WeakPolarHBondContact CG1-O 3.34Å; I451-I491 HydrophobicContact CG2-CB 4.48Å
452	S	32.4	Very low	31	Very low	29 Å²	29	69.9 Å²	69.9	20%	0.203	38%	0.38	C	S	.	.			trans	-130	88	-178	-60.3	0	0	0	0	113.7	V472 I490 L492	S452-V472 WeakPolarHBondContact OG-CG1 3.42Å; S452-I490 WeakPolarHBondContact O-CG2 3.44Å; S452-L492 WeakPolarHBondContact O-CD2 3.17Å
453	A	33.2	Very low	30.9	Very low	17 Å²	17	72.9 Å²	72.9	14%	0.14	40%	0.401	C	S	.	.			trans	-71.4	143.5	-180	0	0	0	0	0	115.5	L492	A453-L492 HydrophobicContact CB-CD2 4.42Å
454	W	35.1	Very low	30.4	Very low	88 Å²	88	77.9 Å²	77.9	33%	0.333	41%	0.406	S	S	.	.			trans	-141	139	172.6	-61	72.1	0	0	0	111.6	I406 L459 L492	I406-W454 HydrophobicContact CD1-CD2 4.04Å; I406-W454 HydrophobicContact CD1-CE3 3.83Å; I406-W454 HydrophobicContact CD1-CH2 4.01Å; I406-W454 HydrophobicContact CD1-CZ2 4.2Å; I406-W454 HydrophobicContact CD1-CZ3 3.81Å; I406-W454 HydrophobicContact CG1-CH2 4.32Å; I406-W454 HydrophobicContact CG1-CZ3 4.35Å; I406-W454 HydrophobicContact CG2-CH2 3.86Å; I406-W454 HydrophobicContact CG2-CZ2 3.76Å; W454-L459 HydrophobicContact CE3-CD2 4.36Å; W454-L492 HydrophobicContact CB-CD1 4.14Å
455	S	34.7	Very low	30.3	Very low	36 Å²	36	79.4 Å²	79.4	25%	0.252	41%	0.411	S	S	.	.			trans	-100.4	123.8	173.3	172.6	0	0	0	0	110.8	N457 K458 L459	S455-N457 VanDerWaalsContact C-N 3.32Å; S455-N457 PolarHBondContact O-N 2.87Å; S455-K458 PolarHBondContact O-N 3.48Å; S455-L459 PolarHBondContact O-N 3.29Å
456	V	35.3	Very low	30.2	Very low	4 Å²	4	80.8 Å²	80.8	2%	0.024	41%	0.414	C	S	.	.	S	Bend	trans	-72	-25.4	178.7	-161.8	0	0	0	0	112	M389 Y432 Q434 K458 L459 I460	M389-V456 HydrophobicContact CE-CG1 4.2Å; M389-V456 HydrophobicContact CE-CG2 4.17Å; M389-V456 HydrophobicContact SD-CG1 3.79Å; Y432-V456 WeakPolarHBondContact O-CB 3.37Å; Y432-V456 WeakPolarHBondContact O-CG2 3.35Å; Q434-V456 HydrophobicContact CB-CG2 4.17Å; V456-K458 VanDerWaalsContact C-N 3.26Å; V456-K458 PolarHBondContact O-N 3.21Å; V456-L459 HydrophobicContact CG1-CB 4.36Å; V456-L459 HydrophobicContact CG1-CD1 4.45Å; V456-L459 CarbonylContact O-C 3.59Å; V456-L459 WeakPolarHBondContact O-CA 3.47Å; V456-L459 WeakPolarHBondContact O-CB 3.17Å; V456-L459 PolarHBondContact O-N 3.32Å; V456-I460 HydrophobicContact CG1-CD1 3.94Å; V456-I460 HydrophobicContact CG1-CG1 4.1Å; V456-I460 VanDerWaalsContact O-CG1 3.31Å; V456-I460 WeakPolarHBondContact O-CG1 3.36Å; V456-I460 PolarHBondContact O-N 3.33Å
457	N	31.5	Very low	30.2	Very low	79 Å²	79	77.2 Å²	77.2	42%	0.422	40%	0.404	S	S	.	.	H	α-helix	trans	-62.2	-36.3	174.5	-76.7	-9.1	0	0	0	111.8	S455 L459 T461	S455-N457 VanDerWaalsContact C-N 3.32Å; S455-N457 PolarHBondContact O-N 2.87Å; N457-L459 VanDerWaalsContact C-N 3.26Å; N457-L459 PolarHBondContact O-N 3.38Å; N457-T461 WeakPolarHBondContact O-CB 3.48Å; N457-T461 PolarHBondContact O-N 3.44Å; N457-T461 PolarHBondContact O-OG1 2.78Å
458	K	32	Very low	30.1	Very low	125 Å²	125	78 Å²	78	54%	0.543	42%	0.418	S	S	.	.	H	α-helix	trans	-74.5	-13.2	172	-74.6	-170.8	168.4	-170.5	0	113.5	S455 V456 E471	S455-K458 PolarHBondContact O-N 3.48Å; V456-K458 VanDerWaalsContact C-N 3.26Å; V456-K458 PolarHBondContact O-N 3.21Å; K458-E471 IonicContact NZ-OE1 3Å; K458-E471 IonicContact NZ-OE2 3.88Å; K458-E471 PolarHBondContact NZ-OE2 3.22Å
459	L	32	Very low	30.4	Very low	26 Å²	26	77.8 Å²	77.8	14%	0.136	43%	0.425	C	S	.	.	H	α-helix	trans	-89.7	-32	173.4	-65	174.2	0	0	0	112.2	V403 R404 W454 S455 V456 N457	V403-L459 HydrophobicContact CG1-CB 3.79Å; R404-L459 HydrophobicContact CB-CD2 4.34Å; R404-L459 HydrophobicContact CG-CD2 4.5Å; W454-L459 HydrophobicContact CE3-CD2 4.36Å; S455-L459 PolarHBondContact O-N 3.29Å; V456-L459 HydrophobicContact CG1-CB 4.36Å; V456-L459 HydrophobicContact CG1-CD1 4.45Å; V456-L459 CarbonylContact O-C 3.59Å; V456-L459 WeakPolarHBondContact O-CA 3.47Å; V456-L459 WeakPolarHBondContact O-CB 3.17Å; V456-L459 PolarHBondContact O-N 3.32Å; N457-L459 VanDerWaalsContact C-N 3.26Å; N457-L459 PolarHBondContact O-N 3.38Å
460	I	28.5	Very low	30.3	Very low	82 Å²	82	84.1 Å²	84.1	42%	0.421	46%	0.459	S	S	.	.	H	α-helix	trans	-80.7	-42.8	178.5	-64.1	160.1	0	0	0	111	Y432 V456 G462	Y432-I460 HydrophobicContact CD1-CD1 3.39Å; Y432-I460 HydrophobicContact CE1-CD1 4.01Å; Y432-I460 HydrophobicContact CG-CD1 3.74Å; V456-I460 HydrophobicContact CG1-CD1 3.94Å; V456-I460 HydrophobicContact CG1-CG1 4.1Å; V456-I460 VanDerWaalsContact O-CG1 3.31Å; V456-I460 WeakPolarHBondContact O-CG1 3.36Å; V456-I460 PolarHBondContact O-N 3.33Å; I460-G462 PolarHBondContact O-N 2.9Å
461	T	28.7	Very low	30.3	Very low	84 Å²	84	86.3 Å²	86.3	52%	0.515	47%	0.468	S	S	.	.	S	Bend	trans	-71.8	111	171.3	52.5	0	0	0	0	106.3	N457 C463	N457-T461 WeakPolarHBondContact O-CB 3.48Å; N457-T461 PolarHBondContact O-N 3.44Å; N457-T461 PolarHBondContact O-OG1 2.78Å; T461-C463 PolarHBondContact O-N 2.87Å
462	G	24.8	Very low	30.3	Very low	56 Å²	56	87.8 Å²	87.8	58%	0.577	48%	0.477	S	S	*	.			trans	-66	57.2	-174.4	0	0	0	0	0	114	I460 Y464	I460-G462 PolarHBondContact O-N 2.9Å; G462-Y464 WeakPolarHBondContact O-CD2 3.2Å; G462-Y464 PolarHBondContact O-N 2.96Å
463	C	27.8	Very low	30.1	Very low	97 Å²	97	89.7 Å²	89.7	66%	0.655	49%	0.487	S	S	*	.			trans	-69.1	76.3	161.6	-72	0	0	0	0	107.6	T461 D465	T461-C463 PolarHBondContact O-N 2.87Å; C463-D465 PolarHBondContact O-N 3.41Å
464	Y	28	Very low	29.9	Very low	212 Å²	212	95.3 Å²	95.3	83%	0.831	51%	0.508	S	S	*	.			trans	-69.6	7.7	169.1	-84.6	-84.2	0	0	0	112.9	G462 K466	G462-Y464 WeakPolarHBondContact O-CD2 3.2Å; G462-Y464 PolarHBondContact O-N 2.96Å; Y464-K466 PolarHBondContact O-N 3.02Å
465	D	26.8	Very low	29.4	Very low	128 Å²	128	94.4 Å²	94.4	68%	0.684	51%	0.513	S	S	*	.	S	Bend	trans	-72.1	115.5	170.8	-73	-27.5	0	0	0	108.2	C463 T467	C463-D465 PolarHBondContact O-N 3.41Å; D465-T467 HydrophobicContact CB-CG2 4.44Å; D465-T467 PolarHBondContact O-N 2.96Å; D465-T467 PolarHBondContact O-OG1 2.81Å; D465-T467 VanDerWaalsContact O-OG1 3.09Å
466	K	30.6	Very low	29	Very low	215 Å²	215	96.2 Å²	96.2	94%	0.935	53%	0.525	S	S	*	.			trans	-55.7	59.5	176	-65.8	177.6	175.4	176.6	0	112.1	Y464 S468	Y464-K466 PolarHBondContact O-N 3.02Å; K466-S468 PolarHBondContact O-N 2.77Å
467	T	27.8	Very low	28.7	Very low	96 Å²	96	97.1 Å²	97.1	59%	0.589	53%	0.532	S	S	*	.			trans	-83	119.4	178.4	43.1	0	0	0	0	107.7	D465	D465-T467 HydrophobicContact CB-CG2 4.44Å; D465-T467 PolarHBondContact O-N 2.96Å; D465-T467 PolarHBondContact O-OG1 2.81Å; D465-T467 VanDerWaalsContact O-OG1 3.09Å
468	S	29.3	Very low	28.4	Very low	73 Å²	73	96.9 Å²	96.9	51%	0.51	53%	0.527	S	S	.	.			trans	-43.2	155.2	-173.2	50.4	0	0	0	0	115	K466 N470	K466-S468 PolarHBondContact O-N 2.77Å; S468-N470 PolarHBondContact O-N 2.74Å
469	S	31.6	Very low	28.1	Very low	105 Å²	105	95.3 Å²	95.3	73%	0.734	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-51.5	9.2	169.8	53.7	0	0	0	0	117	E471	S469-E471 VanDerWaalsContact C-N 3.35Å
470	N	25.5	Very low	27.9	Very low	137 Å²	137	96.4 Å²	96.4	73%	0.733	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-82.5	-5.7	179.6	-72.2	-7.4	0	0	0	113.8	S468 V472	S468-N470 PolarHBondContact O-N 2.74Å; N470-V472 PolarHBondContact O-N 3.07Å
471	E	29.6	Very low	27.9	Very low	115 Å²	115	97 Å²	97	54%	0.537	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-85.2	10.5	176.1	-63.1	-160.5	173.7	0	0	114	K458 S469 V473	K458-E471 IonicContact NZ-OE1 3Å; K458-E471 IonicContact NZ-OE2 3.88Å; K458-E471 PolarHBondContact NZ-OE2 3.22Å; S469-E471 VanDerWaalsContact C-N 3.35Å; E471-V473 PolarHBondContact O-N 3.12Å
472	V	31	Very low	27.9	Very low	39 Å²	39	101.2 Å²	101.2	24%	0.236	56%	0.563	C	S	.	*			trans	-82.1	104.2	174.5	-175.7	0	0	0	0	109.1	S452 N470 K474	S452-V472 WeakPolarHBondContact OG-CG1 3.42Å; N470-V472 PolarHBondContact O-N 3.07Å; V472-K474 HydrophobicContact CG1-CG 3.94Å; V472-K474 PolarHBondContact O-N 3.23Å
473	V	27.2	Very low	28.1	Very low	69 Å²	69	101 Å²	101	42%	0.418	55%	0.55	S	S	.	.			trans	-71.7	100.7	169.9	-176.8	0	0	0	0	108.7	I451 E471 V475	I451-V473 CarbonylContact O-C 3.54Å; E471-V473 PolarHBondContact O-N 3.12Å; V473-V475 HydrophobicContact CG1-CG2 3.93Å
474	K	29.7	Very low	28.1	Very low	135 Å²	135	102.2 Å²	102.2	59%	0.587	55%	0.55	S	S	*	*			trans	-86.9	103.6	173.3	-57.9	-177.2	-179.9	177.1	0	109.3	I450 I451 V472	I450-K474 HydrophobicContact CG2-CD 3.89Å; I450-K474 HydrophobicContact CG2-CG 3.94Å; I451-K474 VanDerWaalsContact O-CA 3.28Å; I451-K474 WeakPolarHBondContact O-CA 3.28Å; V472-K474 HydrophobicContact CG1-CG 3.94Å; V472-K474 PolarHBondContact O-N 3.23Å
475	V	25.1	Very low	28	Very low	70 Å²	70	97 Å²	97	42%	0.424	53%	0.531	S	S	.	.			trans	-97.9	141.9	168.4	-177.1	0	0	0	0	108.5	I451 V473	I451-V475 HydrophobicContact CD1-CB 3.98Å; I451-V475 VanDerWaalsContact CD1-O 3.22Å; I451-V475 WeakPolarHBondContact CD1-O 3.4Å; I451-V475 WeakPolarHBondContact CG1-O 3.42Å; V473-V475 HydrophobicContact CG1-CG2 3.93Å
476	S	25.9	Very low	28	Very low	73 Å²	73	91.3 Å²	91.3	51%	0.51	50%	0.502	S	S	.	.			trans	-109.1	113.3	174.5	-59.5	0	0	0	0	109.4	L449	L449-S476 PolarHBondContact O-OG 3.41Å
477	C	28.6	Very low	27.9	Very low	24 Å²	24	84.6 Å²	84.6	16%	0.162	48%	0.475	C	S	.	.			trans	-91.6	-27.2	-175.4	-57.3	0	0	0	0	113.5	L449 I451	L449-C477 HydrophobicContact CD2-CB 3.45Å; L449-C477 VanDerWaalsContact CD2-CB 3.45Å; I451-C477 WeakPolarHBondContact CD1-SG 2.83Å
478	F	25.6	Very low	27.9	Very low	73 Å²	73	80.7 Å²	80.7	32%	0.32	45%	0.451	S	S	.	.			trans	-152.8	142.8	177.9	-56.5	-87.3	0	0	0	112.3	I121 S128	I121-F478 HydrophobicContact CG2-CZ 3.8Å; S128-F478 VanDerWaalsContact O-CE1 3.27Å; S128-F478 WeakPolarHBondContact O-CE1 3.33Å
479	S	25.3	Very low	27.8	Very low	93 Å²	93	78.1 Å²	78.1	65%	0.65	43%	0.432	S	S	*	.			trans	-106.9	117.6	161.2	178.9	0	0	0	0	107.9
480	L	28.9	Very low	27.7	Very low	49 Å²	49	73.9 Å²	73.9	26%	0.257	40%	0.4	S	S	.	.			trans	-87.9	108.3	173.1	-72	163.8	0	0	0	106.9	C87 R447 E482 K485	C87-L480 HydrophobicContact CB-CD2 4.42Å; R447-L480 WeakPolarHBondContact CD-O 3.38Å; R447-L480 PolarHBondContact NH1-O 3.19Å; L480-E482 PolarHBondContact O-N 2.94Å; L480-K485 WeakPolarHBondContact CD1-O 3.41Å
481	S	27.7	Very low	27.7	Very low	94 Å²	94	70.1 Å²	70.1	66%	0.657	38%	0.38	S	S	*	.	S	Bend	trans	-71.1	-26.6	-171.6	47.3	0	0	0	0	114.4	R447	R447-S481 PolarHBondContact NH1-O 3.19Å; R447-S481 PolarHBondContact NH2-O 2.77Å
482	E	30.2	Very low	27.6	Very low	173 Å²	173	65.9 Å²	65.9	81%	0.808	36%	0.36	S	S	*	.	S	Bend	trans	-137.5	-12	-173	-69.8	-171.2	167.5	0	0	117.3	R447 L480 N484	R447-E482 VanDerWaalsContact NH1-N 3.16Å; L480-E482 PolarHBondContact O-N 2.94Å; E482-N484 PolarHBondContact O-N 2.72Å
483	V	28	Very low	27.4	Very low	50 Å²	50	70.1 Å²	70.1	30%	0.303	37%	0.373	S	S	.	.	S	Bend	trans	-87.3	109.5	165.8	-161.1	0	0	0	0	106.4	C87 K485	C87-V483 HydrophobicContact CB-CG2 4.33Å; V483-K485 PolarHBondContact O-N 3.36Å
484	N	28.9	Very low	27.3	Very low	124 Å²	124	68.3 Å²	68.3	66%	0.663	36%	0.361	S	S	*	.	S	Bend	trans	-62.6	53	179.5	-73.3	-17.8	0	0	0	113.6	R447 E482	R447-N484 PolarHBondContact NH2-OD1 3.36Å; E482-N484 PolarHBondContact O-N 2.72Å
485	K	24.4	Very low	27.1	Very low	101 Å²	101	66.3 Å²	66.3	44%	0.439	36%	0.364	S	S	.	.			trans	-148.6	139.5	175.8	-66.2	-172.3	179.1	-179	0	107.6	A441 L480 V483	A441-K485 HydrophobicContact CB-CG 4.43Å; L480-K485 WeakPolarHBondContact CD1-O 3.41Å; V483-K485 PolarHBondContact O-N 3.36Å
486	T	27.7	Very low	27.1	Very low	10 Å²	10	69.3 Å²	69.3	6%	0.061	38%	0.378	C	S	.	.			trans	-112	132.2	175.8	-54.4	0	0	0	0	108.1	P442 L449 N488	P442-T486 VanDerWaalsContact CG-CB 3.44Å; P442-T486 WeakPolarHBondContact CG-OG1 3.23Å; L449-T486 HydrophobicContact CB-CG2 4.28Å; L449-T486 HydrophobicContact CD1-CG2 4.26Å; T486-N488 PolarHBondContact O-N 3.39Å
487	L	28.2	Very low	27.1	Very low	73 Å²	73	68.2 Å²	68.2	38%	0.382	37%	0.37	S	S	.	.			trans	-91	78	-179.1	-179.5	99.5	0	0	0	110.6	F439 L449 L489	F439-L487 HydrophobicContact CD1-CD1 3.82Å; F439-L487 HydrophobicContact CD1-CG 4.13Å; F439-L487 HydrophobicContact CE1-CD1 3.78Å; F439-L487 HydrophobicContact CE1-CG 4.06Å; L449-L487 WeakPolarHBondContact CD1-O 3.46Å; L487-L489 PolarHBondContact O-N 3.42Å
488	N	28.3	Very low	26.7	Very low	14 Å²	14	74.7 Å²	74.7	8%	0.075	40%	0.401	C	S	.	.			trans	-56.7	124.2	178.9	-67.6	-64.4	0	0	0	113.3	R438 V440 L449 I450 T486	R438-N488 CarbonylContact O-C 3.48Å; R438-N488 WeakPolarHBondContact O-CB 3.45Å; V440-N488 WeakPolarHBondContact CB-ND2 3.29Å; V440-N488 PolarHBondContact O-ND2 3.46Å; V440-N488 VanDerWaalsContact O-ND2 3.09Å; L449-N488 WeakPolarHBondContact CA-OD1 3.41Å; L449-N488 HydrophobicContact CD1-CB 4.45Å; I450-N488 PolarHBondContact N-OD1 2.79Å; T486-N488 PolarHBondContact O-N 3.39Å
489	L	27	Very low	26.7	Very low	20 Å²	20	79.5 Å²	79.5	11%	0.105	42%	0.422	C	S	.	.			trans	-124.1	83.7	-175.3	-177	83.9	0	0	0	111.3	L105 L437 I451 L487 I491	L105-L489 HydrophobicContact CD2-CD1 4.43Å; L437-L489 HydrophobicContact CD2-CD1 3.53Å; L437-L489 HydrophobicContact CD2-CG 3.94Å; I451-L489 WeakPolarHBondContact CD1-O 2.92Å; I451-L489 WeakPolarHBondContact CG1-O 3.34Å; L487-L489 PolarHBondContact O-N 3.42Å; L489-I491 HydrophobicContact CD2-CD1 3.83Å; L489-I491 HydrophobicContact CD2-CG1 4.1Å; L489-I491 HydrophobicContact CG-CD1 4.47Å; L489-I491 HydrophobicContact CG-CG1 4.2Å; L489-I491 PolarHBondContact O-N 3.1Å
490	I	28.7	Very low	26.7	Very low	15 Å²	15	78 Å²	78	8%	0.077	41%	0.41	C	S	.	.			trans	-74	110.1	179.9	-57.9	-177.8	0	0	0	112.3	C435 L436 L437 R438 S452 L492	C435-I490 PolarHBondContact SG-O 2.75Å; L436-I490 WeakPolarHBondContact O-CB 3.49Å; L436-I490 WeakPolarHBondContact O-CG2 3.47Å; L437-I490 WeakPolarHBondContact CD2-O 3.4Å; R438-I490 HydrophobicContact CB-CD1 3.5Å; R438-I490 VanDerWaalsContact CB-CD1 3.5Å; R438-I490 HydrophobicContact CB-CG1 4.3Å; S452-I490 WeakPolarHBondContact O-CG2 3.44Å; I490-L492 HydrophobicContact CG2-CD2 3.45Å; I490-L492 VanDerWaalsContact CG2-CD2 3.45Å
491	I	25.7	Very low	26.4	Very low	59 Å²	59	82.9 Å²	82.9	30%	0.303	43%	0.429	S	S	.	.			trans	-105.4	118.9	173.5	-54.7	176.4	0	0	0	108.7	I451 L489	I451-I491 HydrophobicContact CG2-CB 4.48Å; L489-I491 HydrophobicContact CD2-CD1 3.83Å; L489-I491 HydrophobicContact CD2-CG1 4.1Å; L489-I491 HydrophobicContact CG-CD1 4.47Å; L489-I491 HydrophobicContact CG-CG1 4.2Å; L489-I491 PolarHBondContact O-N 3.1Å
492	L	28.5	Very low	26.3	Very low	25 Å²	25	81.6 Å²	81.6	13%	0.131	41%	0.413	C	S	.	.			trans	-99.9	127.2	173.2	-36	-172.3	0	0	0	108.9	Q434 C435 L436 S452 A453 W454 I490	Q434-L492 VanDerWaalsContact O-CB 3.27Å; Q434-L492 WeakPolarHBondContact O-CB 3.22Å; Q434-L492 WeakPolarHBondContact O-CD1 3.38Å; C435-L492 HydrophobicContact CB-CB 3.89Å; C435-L492 HydrophobicContact CB-CG 3.98Å; C435-L492 PolarHBondContact SG-N 2.76Å; L436-L492 HydrophobicContact CB-CD1 4.17Å; S452-L492 WeakPolarHBondContact O-CD2 3.17Å; A453-L492 HydrophobicContact CB-CD2 4.42Å; W454-L492 HydrophobicContact CB-CD1 4.14Å; I490-L492 HydrophobicContact CG2-CD2 3.45Å; I490-L492 VanDerWaalsContact CG2-CD2 3.45Å
493	Y	25.6	Very low	26.1	Very low	128 Å²	128	76.2 Å²	76.2	50%	0.502	39%	0.389	S	S	.	.			trans	-134.5	157.2	177.5	65	-85.4	0	0	0	111.4
494	N	24.8	Very low	26	Very low	32 Å²	32	74.7 Å²	74.7	17%	0.171	38%	0.381	C	S	.	.			trans	-82.9	130.3	168.6	-171.2	8.9	0	0	0	108.5	R430 D496 C497	R430-N494 PolarHBondContact NH1-ND2 2.89Å; N494-D496 PolarHBondContact O-N 3.3Å; N494-C497 PolarHBondContact O-N 2.91Å
495	S	25.1	Very low	25.8	Very low	93 Å²	93	69.5 Å²	69.5	65%	0.65	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.1	-171.3	56.6	0	0	0	0	114.6
496	D	25.6	Very low	25.9	Very low	133 Å²	133	65.7 Å²	65.7	71%	0.711	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	2.1	-168.4	-59.8	-6.5	0	0	0	114.8	N494	N494-D496 PolarHBondContact O-N 3.3Å
497	C	25.6	Very low	25.9	Very low	49 Å²	49	68.2 Å²	68.2	33%	0.331	35%	0.346	S	S	.	.			trans	-151.3	101.5	179.7	-64.5	0	0	0	0	113	R430 N494 F499	R430-C497 PolarHBondContact NH2-SG 2.9Å; N494-C497 PolarHBondContact O-N 2.91Å; C497-F499 HydrophobicContact CB-CD2 4.12Å; C497-F499 HydrophobicContact CB-CE2 4.47Å
498	I	21.6	Very low	25.7	Very low	160 Å²	160	70.6 Å²	70.6	82%	0.821	35%	0.35	S	S	*	.			trans	-79.9	114.6	157.3	-58.8	170.2	0	0	0	106.3
499	F	24.7	Very low	25.5	Very low	175 Å²	175	71.9 Å²	71.9	77%	0.768	36%	0.36	S	S	*	.			trans	-133.4	133.1	165.4	-86.5	-76.4	0	0	0	111.1	C497	C497-F499 HydrophobicContact CB-CD2 4.12Å; C497-F499 HydrophobicContact CB-CE2 4.47Å
500	P	24.6	Very low	25.4	Very low	62 Å²	62	79.1 Å²	79.1	40%	0.403	39%	0.386	S	S	.	.			trans	-83.6	136.1	178	33.6	-31.2	0	0	0	109.9
501	K	23.2	Very low	25.1	Very low	150 Å²	150	84 Å²	84	65%	0.652	41%	0.412	S	S	*	.			trans	132	95.3	169.2	-77.7	163.4	-175.2	-176.3	0	108.6
502	Q	27	Very low	25.1	Very low	68 Å²	68	87 Å²	87	32%	0.318	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-176.2	146.1	146.8	-99.7	145.8	21.9	0	0	113.5
503	I	24.1	Very low	24.8	Very low	59 Å²	59	91.5 Å²	91.5	30%	0.303	45%	0.453	S	S	.	.			trans	-82.7	146.2	-167.6	-62.1	163.5	0	0	0	111	I99	I99-I503 HydrophobicContact CD1-CB 4.31Å; I99-I503 HydrophobicContact CD1-CG1 4.26Å; I99-I503 HydrophobicContact CD1-CG2 4.07Å
504	C	27.8	Very low	24.6	Very low	19 Å²	19	91.9 Å²	91.9	13%	0.128	46%	0.457	C	S	.	.			trans	-141.8	139.2	167.5	-10.7	0	0	0	0	114.7	S97 C98 F425	S97-C504 PolarHBondContact OG-O 2.97Å; C98-C504 PolarHBondContact N-O 3.39Å; C98-C504 CarbonylContact O-C 3.43Å; C98-C504 WeakPolarHBondContact O-CA 3.26Å; C98-C504 WeakPolarHBondContact O-CB 3.46Å; C98-C504 PolarHBondContact O-N 2.98Å; C98-C504 PolarHBondContact O-SG 3.46Å; F425-C504 HydrophobicContact CD1-CB 3.46Å; F425-C504 VanDerWaalsContact CD1-CB 3.46Å; F425-C504 WeakPolarHBondContact CD1-SG 3.29Å; F425-C504 HydrophobicContact CE1-CB 3.12Å; F425-C504 WeakPolarHBondContact CE1-SG 3.45Å; F425-C504 HydrophobicContact CZ-CB 4.31Å
505	T	24.1	Very low	24.6	Very low	14 Å²	14	93.3 Å²	93.3	9%	0.086	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-133.6	142.9	-175.1	-44.6	0	0	0	0	111	L144 E145 Y507	L144-T505 WeakPolarHBondContact O-CG2 3.33Å; E145-T505 HydrophobicContact CB-CG2 4.05Å; E145-T505 HydrophobicContact CG-CG2 4.34Å; T505-Y507 HydrophobicContact CG2-CD2 4.43Å; T505-Y507 HydrophobicContact CG2-CE1 4.3Å; T505-Y507 HydrophobicContact CG2-CE2 3.58Å; T505-Y507 VanDerWaalsContact CG2-CZ 3.5Å; T505-Y507 WeakPolarHBondContact CG2-OH 3.46Å
506	F	26.3	Very low	24.5	Very low	22 Å²	22	91.8 Å²	91.8	10%	0.096	45%	0.45	C	S	.	.			trans	-125.8	147	-176.6	-65.3	-121.8	0	0	0	109.6	L95 G96 C98 S423 F425 L437	L95-F506 HydrophobicContact CD2-CD1 3.75Å; L95-F506 HydrophobicContact CD2-CD2 4.29Å; L95-F506 HydrophobicContact CD2-CE1 3.38Å; L95-F506 HydrophobicContact CD2-CE2 4.05Å; L95-F506 HydrophobicContact CD2-CG 4.18Å; L95-F506 HydrophobicContact CD2-CZ 3.57Å; L95-F506 HydrophobicContact CG-CD1 4.22Å; L95-F506 HydrophobicContact CG-CD2 4.42Å; L95-F506 HydrophobicContact CG-CE1 4.31Å; L95-F506 HydrophobicContact CG-CG 4.26Å; L95-F506 WeakPolarHBondContact O-CB 3.39Å; G96-F506 CarbonylContact O-C 3.55Å; G96-F506 WeakPolarHBondContact O-CA 3.39Å; G96-F506 WeakPolarHBondContact O-CB 3.46Å; G96-F506 PolarHBondContact O-N 3.45Å; C98-F506 HydrophobicContact CB-CE2 4.19Å; C98-F506 WeakPolarHBondContact SG-CE2 3.49Å; S423-F506 VanDerWaalsContact CB-CZ 3.4Å; S423-F506 WeakPolarHBondContact OG-CD1 3.2Å; S423-F506 WeakPolarHBondContact OG-CE1 3.37Å; S423-F506 WeakPolarHBondContact OG-CZ 3.26Å; F425-F506 HydrophobicContact CE1-CE2 4.22Å; F425-F506 HydrophobicContact CE1-CZ 4.31Å; F425-F506 HydrophobicContact CZ-CE2 4.17Å; F425-F506 AromaticContact CZ-CZ 3.83Å; F425-F506 HydrophobicContact CZ-CZ 3.83Å; L437-F506 HydrophobicContact CD1-CE1 4.44Å; L437-F506 HydrophobicContact CD1-CZ 3.83Å
507	Y	27.2	Very low	24.5	Very low	63 Å²	63	87.4 Å²	87.4	25%	0.247	43%	0.426	C	S	.	.			trans	-135.9	130	176.7	-64.3	-77.9	0	0	0	111.7	L143 T505 V516	L143-Y507 HydrophobicContact CB-CE1 4.08Å; L143-Y507 HydrophobicContact CD1-CE1 4.04Å; L143-Y507 WeakPolarHBondContact CD1-OH 3.33Å; L143-Y507 HydrophobicContact CG-CE1 3.73Å; L143-Y507 WeakPolarHBondContact CG-OH 3.47Å; T505-Y507 HydrophobicContact CG2-CD2 4.43Å; T505-Y507 HydrophobicContact CG2-CE1 4.3Å; T505-Y507 HydrophobicContact CG2-CE2 3.58Å; T505-Y507 VanDerWaalsContact CG2-CZ 3.5Å; T505-Y507 WeakPolarHBondContact CG2-OH 3.46Å; Y507-V516 VanDerWaalsContact CD2-O 3.29Å; Y507-V516 WeakPolarHBondContact CD2-O 2.83Å
508	Y	24.7	Very low	24.5	Very low	123 Å²	123	88.7 Å²	88.7	48%	0.482	43%	0.429	S	S	.	.			trans	-128	126.8	162.4	-174.8	-95.6	0	0	0	109.6	R510	Y508-R510 HydrophobicContact CE1-CG 4.33Å
509	S	24.1	Very low	24.7	Very low	40 Å²	40	85.8 Å²	85.8	28%	0.28	41%	0.412	S	S	.	.			trans	-107.3	130.1	170.2	147.8	0	0	0	0	108.1	N511	S509-N511 CarbonylContact O-C 3.38Å; S509-N511 PolarHBondContact O-N 2.87Å; S509-N511 VanDerWaalsContact O-N 3.1Å; S509-N511 WeakPolarHBondContact OG-CA 3.02Å; S509-N511 PolarHBondContact OG-N 2.76Å; S509-N511 PolarHBondContact OG-O 3.39Å
510	R	24.3	Very low	24.8	Very low	172 Å²	172	81 Å²	81	65%	0.649	40%	0.4	S	S	*	.	S	Bend	trans	-58.5	-19.1	171.6	-80.9	-173.8	177.5	175.8	2.6	112.8	Y508	Y508-R510 HydrophobicContact CE1-CG 4.33Å
511	N	23.4	Very low	24.9	Very low	117 Å²	117	83.8 Å²	83.8	63%	0.626	42%	0.421	S	S	*	.	S	Bend	trans	-86.5	106.3	164.3	-89.9	-44.7	0	0	0	109	S509 N513 K514	S509-N511 CarbonylContact O-C 3.38Å; S509-N511 PolarHBondContact O-N 2.87Å; S509-N511 VanDerWaalsContact O-N 3.1Å; S509-N511 WeakPolarHBondContact OG-CA 3.02Å; S509-N511 PolarHBondContact OG-N 2.76Å; S509-N511 PolarHBondContact OG-O 3.39Å; N511-N513 PolarHBondContact O-N 2.9Å; N511-K514 PolarHBondContact O-N 2.57Å
512	L	24.5	Very low	25	Very low	123 Å²	123	80.5 Å²	80.5	64%	0.644	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-2.3	-178.2	-72.4	159	0	0	0	116
513	N	22.5	Very low	24.9	Very low	120 Å²	120	81.1 Å²	81.1	64%	0.642	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	16.9	-172.6	-70.7	-15.5	0	0	0	115.1	N511	N511-N513 PolarHBondContact O-N 2.9Å
514	K	22.2	Very low	24.9	Very low	135 Å²	135	82.3 Å²	82.3	59%	0.587	42%	0.42	S	S	*	.			trans	-126.1	114.4	174.2	-76.6	-167.4	173.6	-164.5	0	112.2	N511	N511-K514 PolarHBondContact O-N 2.57Å
515	I	23.9	Very low	24.8	Very low	62 Å²	62	86.1 Å²	86.1	32%	0.318	44%	0.437	S	S	.	.			trans	-103	120.3	166.9	-60.9	173.3	0	0	0	106.2	T250	T250-I515 HydrophobicContact CG2-CG2 4.32Å
516	V	22.5	Very low	24.8	Very low	61 Å²	61	90.6 Å²	90.6	37%	0.37	46%	0.459	S	S	.	.			trans	-113.7	134.7	174.6	179.6	0	0	0	0	108.4	L143 Y507	L143-V516 HydrophobicContact CD1-CG1 4.42Å; Y507-V516 VanDerWaalsContact CD2-O 3.29Å; Y507-V516 WeakPolarHBondContact CD2-O 2.83Å
517	Q	26	Very low	24.7	Very low	42 Å²	42	95.1 Å²	95.1	20%	0.196	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-91.3	160.2	-161.8	-172.4	-179.6	0.6	0	0	114.1	Y230 I251	Y230-Q517 PolarHBondContact OH-OE1 3.47Å; I251-Q517 PolarHBondContact O-OE1 2.95Å
518	L	26.2	Very low	24.5	Very low	76 Å²	76	97.4 Å²	97.4	40%	0.398	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-73.5	151.9	177.6	-69.5	155.4	0	0	0	115.9	L359	L359-L518 HydrophobicContact CD1-CD1 4.42Å
519	H	24.8	Very low	24.5	Very low	99 Å²	99	95.5 Å²	95.5	46%	0.458	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-86.9	148.3	148.9	-77.9	-70.3	0	0	0	111.3	E145	E145-H519 IonicContact OE2-CD2 3.72Å
520	S	26.6	Very low	24.6	Very low	75 Å²	75	100.1 Å²	100.1	52%	0.524	52%	0.52	S	S	.	.			trans	-118.8	135.3	159.3	63.5	0	0	0	0	107.6
521	S	27.7	Very low	24.6	Very low	119 Å²	119	93.5 Å²	93.5	83%	0.832	51%	0.509	S	S	*	.			trans	-76.4	0	179.2	54.6	0	0	0	0	112	Q428	Q428-S521 PolarHBondContact NE2-O 3.28Å; Q428-S521 PolarHBondContact OE1-O 3.12Å

Retrieved 521 of 521 residues in 273.9 ms (Link to these results)

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