A0A087WUI4_HUMAN Loading...

Tryptase beta 2

AlphaFold DB , UniProt , Accession A0A087WUI4, Species HUMAN (Homo sapiens, Human), Gene TPSB2, Length 282 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.3	Very low	44	Very low	234 Å²	234	162.5 Å²	162.5	100%	1.153	87%	0.871	S	S	*	*				0	104.7	0	-155.6	158	70.2	0	0	106.8
2	L	39.8	Very low	44	Very low	156 Å²	156	163 Å²	163	82%	0.817	87%	0.872	S	S	*	*			trans	36.2	103.9	168.5	-69.6	139.4	0	0	0	119
3	L	38.5	Very low	44.2	Very low	182 Å²	182	163 Å²	163	95%	0.953	87%	0.87	S	S	*	*			trans	-107.6	114	154	-83.4	162	0	0	0	108.4
4	L	39.8	Very low	44.4	Very low	157 Å²	157	163.2 Å²	163.2	82%	0.822	87%	0.87	S	S	*	*			trans	-79.6	131.6	173.9	-75.9	153.7	0	0	0	109.5
5	A	46.6	Very low	44.7	Very low	96 Å²	96	158.8 Å²	158.8	79%	0.793	87%	0.866	S	S	*	*			trans	-88	149.2	164	0	0	0	0	0	110.4
6	P	51.8	Low	45.1	Very low	121 Å²	121	158.7 Å²	158.7	79%	0.786	86%	0.863	S	S	*	*			trans	-122.3	145.6	145.1	25.9	-9.3	0	0	0	111.8
7	Q	49.8	Very low	45.2	Very low	195 Å²	195	155.7 Å²	155.7	91%	0.911	85%	0.854	S	S	*	*			trans	-67	138.3	-176.8	-65.2	161.1	-43.9	0	0	111.6
8	M	46.1	Very low	45.5	Very low	180 Å²	180	154.8 Å²	154.8	89%	0.887	85%	0.853	S	S	*	*			trans	-112.4	113.1	161.4	-77	-134.3	144.3	0	0	110.1
9	L	48.1	Very low	45.7	Very low	163 Å²	163	155 Å²	155	85%	0.853	85%	0.852	S	S	*	*			trans	-66.6	119.3	167.2	-176.2	72.1	0	0	0	108.7
10	N	43.5	Very low	46	Very low	149 Å²	149	151.7 Å²	151.7	80%	0.797	85%	0.846	S	S	*	*			trans	-122.5	123	170.3	-105.5	-17.6	0	0	0	110.6	L12	N10-L12 PolarHBondContact O-N 2.74Å
11	L	43.7	Very low	46.2	Very low	154 Å²	154	149.8 Å²	149.8	81%	0.806	84%	0.843	S	S	*	*			trans	-53.6	122.4	177.1	-94.1	70.5	0	0	0	111.5	L13	L11-L13 PolarHBondContact O-N 3.38Å
12	L	44.2	Very low	46.7	Very low	169 Å²	169	148.5 Å²	148.5	89%	0.885	83%	0.825	S	S	*	*			trans	-78.2	108.5	160	-95.9	106.3	0	0	0	109.4	N10 L14	N10-L12 PolarHBondContact O-N 2.74Å; L12-L14 PolarHBondContact O-N 3.17Å
13	L	46.8	Very low	47.2	Very low	163 Å²	163	145.8 Å²	145.8	85%	0.853	83%	0.825	S	S	*	*			trans	-72.4	112.9	161.2	-87.4	143.6	0	0	0	108.7	L11 A15	L11-L13 PolarHBondContact O-N 3.38Å; L13-A15 PolarHBondContact O-N 3.46Å; L13-A15 VanDerWaalsContact O-N 3.14Å
14	L	46.2	Very low	47.5	Very low	166 Å²	166	146.6 Å²	146.6	87%	0.869	82%	0.817	S	S	*	*			trans	-67.9	101.9	170.6	-83	155.2	0	0	0	109.8	L12 L16	L12-L14 PolarHBondContact O-N 3.17Å; L14-L16 PolarHBondContact O-N 3.24Å
15	A	49.1	Very low	48.1	Very low	97 Å²	97	143.4 Å²	143.4	80%	0.802	81%	0.814	S	S	*	*			trans	-79.6	104.5	164.1	0	0	0	0	0	109	L13	L13-A15 PolarHBondContact O-N 3.46Å; L13-A15 VanDerWaalsContact O-N 3.14Å
16	L	50.9	Low	48.4	Very low	157 Å²	157	142.9 Å²	142.9	82%	0.822	81%	0.809	S	S	*	*			trans	-72	123.5	168.7	-84.9	152.5	0	0	0	109.1	L14 V18	L14-L16 PolarHBondContact O-N 3.24Å; L16-V18 PolarHBondContact O-N 3.28Å
17	P	47	Very low	48	Very low	108 Å²	108	143 Å²	143	70%	0.701	81%	0.81	S	S	*	*			trans	-73.2	117.5	171.5	29.2	-29.6	0	0	0	108.5	L19	P17-L19 PolarHBondContact O-N 2.78Å
18	V	51	Low	48.1	Very low	139 Å²	139	137.7 Å²	137.7	84%	0.842	80%	0.8	S	S	*	*			trans	-67	101.1	167	178	0	0	0	0	107.1	L16 A20	L16-V18 PolarHBondContact O-N 3.28Å; V18-A20 VanDerWaalsContact C-N 3.31Å; V18-A20 PolarHBondContact O-N 2.85Å
19	L	49.6	Very low	48.1	Very low	159 Å²	159	135.4 Å²	135.4	83%	0.832	80%	0.798	S	S	*	*			trans	-67.8	92.5	167.8	-82.7	158.3	0	0	0	108	P17 S21	P17-L19 PolarHBondContact O-N 2.78Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 2.93Å
20	A	52.2	Low	47.7	Very low	89 Å²	89	130.7 Å²	130.7	74%	0.736	79%	0.789	S	S	*	*			trans	-69.3	94.3	166.1	0	0	0	0	0	108.4	V18 R22	V18-A20 VanDerWaalsContact C-N 3.31Å; V18-A20 PolarHBondContact O-N 2.85Å; A20-R22 PolarHBondContact O-N 3.08Å
21	S	48.8	Very low	47.8	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	79%	0.793	S	S	*	*			trans	-61.6	106.2	169	-62.6	0	0	0	0	108.7	L19 A23	L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 2.93Å; S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.23Å
22	R	47.2	Very low	47.5	Very low	206 Å²	206	129.5 Å²	129.5	78%	0.777	79%	0.79	S	S	*	*			trans	-64.4	101.5	161.5	-80.3	-174.8	174.8	-179.3	-0.7	106.7	A20 Y24	A20-R22 PolarHBondContact O-N 3.08Å; R22-Y24 VanDerWaalsContact C-N 3.3Å; R22-Y24 HydrophobicContact CB-CE2 4.43Å; R22-Y24 PolarHBondContact O-N 3.23Å
23	A	50	Low	47.5	Very low	99 Å²	99	128.9 Å²	128.9	82%	0.818	79%	0.787	S	S	*	*			trans	-61.4	100.2	163	0	0	0	0	0	106.9	S21 A25	S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.23Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.12Å
24	Y	45.8	Very low	47.1	Very low	199 Å²	199	129 Å²	129	78%	0.78	78%	0.783	S	S	*	*			trans	-66.9	101.4	163.6	-79.5	-83.5	0	0	0	106	R22 A26	R22-Y24 VanDerWaalsContact C-N 3.3Å; R22-Y24 HydrophobicContact CB-CE2 4.43Å; R22-Y24 PolarHBondContact O-N 3.23Å; Y24-A26 PolarHBondContact O-N 3.27Å; Y24-A26 VanDerWaalsContact O-N 3.1Å
25	A	52.8	Low	47	Very low	91 Å²	91	132.2 Å²	132.2	75%	0.752	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-55.3	118.7	164.6	0	0	0	0	0	106.9	A23	A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.12Å
26	A	52	Low	46.2	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-53.9	137.4	170.7	0	0	0	0	0	107.9	Y24 A28	Y24-A26 PolarHBondContact O-N 3.27Å; Y24-A26 VanDerWaalsContact O-N 3.1Å; A26-A28 PolarHBondContact O-N 3.09Å
27	P	44.2	Very low	45.8	Very low	124 Å²	124	123 Å²	123	81%	0.805	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-56.4	135	172.8	-11.9	24.2	0	0	0	107.8
28	A	51	Low	46.4	Very low	83 Å²	83	117.9 Å²	117.9	69%	0.686	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-48.3	144.1	167	0	0	0	0	0	108.6	A26 G30	A26-A28 PolarHBondContact O-N 3.09Å; A28-G30 VanDerWaalsContact C-N 3.27Å; A28-G30 PolarHBondContact O-N 3.13Å
29	P	46.6	Very low	47.6	Very low	131 Å²	131	111.8 Å²	111.8	85%	0.851	65%	0.654	S	S	*	*			trans	-62.1	98.2	177.1	12.7	-9	0	0	0	107.4	Q31	P29-Q31 PolarHBondContact O-N 3.01Å
30	G	39.7	Very low	48.7	Very low	65 Å²	65	106.2 Å²	106.2	67%	0.67	64%	0.635	S	S	*	*			trans	-55.6	130	167.2	0	0	0	0	0	106	A28 A32	A28-G30 VanDerWaalsContact C-N 3.27Å; A28-G30 PolarHBondContact O-N 3.13Å; G30-A32 PolarHBondContact O-N 3.27Å
31	Q	44.7	Very low	50.4	Low	186 Å²	186	102.8 Å²	102.8	87%	0.869	61%	0.608	S	S	*	*			trans	-60.1	81.6	172.9	-68.8	176	-31.8	0	0	108.7	P29 L33	P29-Q31 PolarHBondContact O-N 3.01Å; Q31-L33 PolarHBondContact O-N 3.27Å
32	A	38.9	Very low	52.6	Low	91 Å²	91	103.1 Å²	103.1	75%	0.752	60%	0.597	S	S	*	*			trans	-64.8	88.1	153.8	0	0	0	0	0	104.6	G30 Q34	G30-A32 PolarHBondContact O-N 3.27Å; A32-Q34 VanDerWaalsContact C-N 3.31Å; A32-Q34 PolarHBondContact O-N 2.99Å
33	L	42.7	Very low	55	Low	156 Å²	156	97.9 Å²	97.9	82%	0.817	58%	0.581	S	S	*	*			trans	-52.1	106.4	166.9	-92.4	158.4	0	0	0	106.3	Q31 R35	Q31-L33 PolarHBondContact O-N 3.27Å; L33-R35 PolarHBondContact O-N 3.06Å
34	Q	39.2	Very low	57.3	Low	167 Å²	167	93.2 Å²	93.2	78%	0.78	54%	0.543	S	S	*	.			trans	-51	105.4	-172.4	-169.4	166	8.5	0	0	109.2	A32 V36	A32-Q34 VanDerWaalsContact C-N 3.31Å; A32-Q34 PolarHBondContact O-N 2.99Å; Q34-V36 HydrophobicContact CG-CB 4.37Å; Q34-V36 HydrophobicContact CG-CG2 3.62Å; Q34-V36 PolarHBondContact O-N 3.47Å
35	R	43.8	Very low	59.8	Low	233 Å²	233	86.7 Å²	86.7	88%	0.879	53%	0.525	S	S	*	.			trans	-73.6	82.6	171.7	-70.1	-174.4	-178.4	-172.2	3.3	108.1	L33	L33-R35 PolarHBondContact O-N 3.06Å
36	V	32.4	Very low	61.9	Low	59 Å²	59	88.6 Å²	88.6	36%	0.358	51%	0.513	S	S	.	.			trans	-132.9	93.1	173	-175.8	0	0	0	0	105.5	Q34 K183	Q34-V36 HydrophobicContact CG-CB 4.37Å; Q34-V36 HydrophobicContact CG-CG2 3.62Å; Q34-V36 PolarHBondContact O-N 3.47Å; V36-K183 VanDerWaalsContact O-CE 3.25Å; V36-K183 WeakPolarHBondContact O-CE 3.28Å; V36-K183 PolarHBondContact O-NZ 2.89Å
37	G	41.9	Very low	64.1	Low	1 Å²	1	89.3 Å²	89.3	1%	0.01	51%	0.513	C	S	.	.	S	Bend	trans	-134	151.7	-176.9	0	0	0	0	0	111.4	V39 G41 V170	G37-V39 PolarHBondContact O-N 3.18Å; G37-G41 WeakPolarHBondContact CA-O 3.33Å; G37-V170 CarbonylContact O-C 3.59Å; G37-V170 WeakPolarHBondContact O-CA 3.45Å; G37-V170 WeakPolarHBondContact O-CB 3.45Å; G37-V170 VanDerWaalsContact O-CG1 3.27Å; G37-V170 WeakPolarHBondContact O-CG1 3.38Å
38	I	59.7	Low	66.6	Low	0 Å²	0	87.2 Å²	87.2	0%	0	49%	0.491	C	S	.	.	S	Bend		-25.6	112.5	114.8	-58.9	-84.7	0	0	0	107.8	G40 G41 V164 K183 V185 D225 D230	I38-G40 PolarHBondContact O-N 2.86Å; I38-G41 WeakPolarHBondContact O-CA 3.22Å; I38-G41 PolarHBondContact O-N 3.15Å; I38-V164 HydrophobicContact CG2-CG1 4.4Å; I38-K183 HydrophobicContact CB-CB 4.29Å; I38-K183 HydrophobicContact CD1-CB 4.44Å; I38-K183 HydrophobicContact CG1-CB 3.38Å; I38-K183 HydrophobicContact CG1-CD 4.34Å; I38-K183 HydrophobicContact CG1-CG 4.37Å; I38-K183 VanDerWaalsContact N-CE 3.34Å; I38-V185 HydrophobicContact CB-CG1 4.16Å; I38-V185 HydrophobicContact CG2-CB 4.24Å; I38-V185 HydrophobicContact CG2-CG1 3.41Å; I38-V185 VanDerWaalsContact CG2-CG1 3.41Å; I38-D225 WeakPolarHBondContact CG2-O 3.39Å; I38-D230 WeakPolarHBondContact CD1-OD1 3.27Å; I38-D230 WeakPolarHBondContact CD1-OD2 2.92Å
39	V	75.9	Confident	68.9	Low	12 Å²	12	83.5 Å²	83.5	7%	0.073	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-29.7	106.8	-149.6	-170.3	0	0	0	0	112.6	G37 G41 R223 R224 D225 C227 C255 A256	G37-V39 PolarHBondContact O-N 3.18Å; V39-G41 PolarHBondContact O-N 3.01Å; V39-R223 CarbonylContact C-O 3.55Å; V39-R223 CarbonylContact O-C 3.35Å; V39-R224 WeakPolarHBondContact O-CA 3.49Å; V39-D225 HydrophobicContact CB-CB 4.45Å; V39-D225 PolarHBondContact N-O 3.05Å; V39-D225 PolarHBondContact O-N 3.42Å; V39-C227 HydrophobicContact CG2-CB 4.47Å; V39-C255 HydrophobicContact CG2-CB 3.89Å; V39-A256 HydrophobicContact CB-CB 4.01Å; V39-A256 HydrophobicContact CG1-CB 3.54Å; V39-A256 HydrophobicContact CG2-CB 4.26Å
40	G	74.1	Confident	71.4	Confident	42 Å²	42	77.7 Å²	77.7	43%	0.433	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	14.7	179.5	0	0	0	0	0	119	I38 R223	I38-G40 PolarHBondContact O-N 2.86Å; G40-R223 VanDerWaalsContact CA-O 3.27Å; G40-R223 WeakPolarHBondContact CA-O 3.43Å
41	G	86.3	Confident	74.2	Confident	17 Å²	17	75.2 Å²	75.2	18%	0.175	39%	0.392	C	S	.	.			trans	-86.6	-164.9	168.9	0	0	0	0	0	115.3	G37 I38 V39 Q184	G37-G41 WeakPolarHBondContact CA-O 3.33Å; I38-G41 WeakPolarHBondContact O-CA 3.22Å; I38-G41 PolarHBondContact O-N 3.15Å; V39-G41 PolarHBondContact O-N 3.01Å; G41-Q184 WeakPolarHBondContact CA-O 3.05Å
42	Q	95.3	Very high	76.8	Confident	119 Å²	119	66.3 Å²	66.3	56%	0.556	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	167.9	179.6	61	175.8	65.7	0	0	111.2	K183 Q184	Q42-K183 WeakPolarHBondContact O-CA 3.43Å; Q42-Q184 HydrophobicContact CG-CG 4.21Å; Q42-Q184 PolarHBondContact N-O 2.96Å; Q42-Q184 PolarHBondContact O-N 3.19Å
43	E	97.9	Very high	79.6	Confident	95 Å²	95	62 Å²	62	44%	0.444	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	137.1	168.9	177.3	170.3	178.1	0	0	111.1	Q100 H101 P181	E43-Q100 PolarHBondContact OE1-NE2 2.66Å; E43-H101 IonicContact OE1-NE2 2.72Å; E43-P181 HydrophobicContact CB-CB 4.47Å; E43-P181 HydrophobicContact CG-CB 3.85Å
44	A	98.3	Very high	82.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.008	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-80.2	137.1	177.9	0	0	0	0	0	111	Q100 L182 Q184	A44-Q100 PolarHBondContact O-NE2 2.97Å; A44-Q100 PolarHBondContact O-OE1 3.16Å; A44-L182 HydrophobicContact CB-CB 4.42Å; A44-L182 HydrophobicContact CB-CD2 4.15Å; A44-L182 HydrophobicContact CB-CG 4.01Å; A44-L182 WeakPolarHBondContact CB-O 3.14Å; A44-L182 PolarHBondContact N-O 2.85Å; A44-Q184 HydrophobicContact CB-CB 4.23Å; A44-Q184 HydrophobicContact CB-CG 4.09Å
45	P	98.1	Very high	85.2	Confident	62 Å²	62	46.7 Å²	46.7	40%	0.403	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-61	148.6	171.2	-22.1	33.1	0	0	0	112.3	S47 K48 R98	P45-S47 PolarHBondContact O-N 2.98Å; P45-S47 VanDerWaalsContact O-N 3.09Å; P45-K48 HydrophobicContact CB-CG 4.11Å; P45-K48 HydrophobicContact CG-CG 4.09Å; P45-K48 WeakPolarHBondContact O-CB 3.31Å; P45-K48 PolarHBondContact O-N 3.35Å; P45-R98 PolarHBondContact O-NH2 2.88Å
46	R	97.6	Very high	87.8	Confident	131 Å²	131	35.6 Å²	35.6	49%	0.494	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-29	176.6	-72.7	-176.3	176.3	-91.8	1.8	114.3	K48 Q100 H143	R46-K48 VanDerWaalsContact C-N 3.3Å; R46-K48 PolarHBondContact O-N 3.41Å; R46-Q100 HydrophobicContact CG-CB 4.22Å; R46-Q100 HydrophobicContact CG-CG 4.07Å; R46-H143 PolarHBondContact O-CE1 3.19Å; R46-H143 PolarHBondContact O-ND1 2.89Å; R46-H143 VanDerWaalsContact O-ND1 3.13Å
47	S	96.9	Very high	90.9	Very high	100 Å²	100	35 Å²	35	70%	0.699	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.1	179.6	56.9	0	0	0	0	114.3	P45	P45-S47 PolarHBondContact O-N 2.98Å; P45-S47 VanDerWaalsContact O-N 3.09Å
48	K	98.3	Very high	93.4	Very high	81 Å²	81	42.1 Å²	42.1	35%	0.352	22%	0.22	S	C	.	.	S	Bend	trans	-109.1	149.3	-176.2	-69	-72.9	-174.5	177.8	0	112	P45 R46 R98	P45-K48 HydrophobicContact CB-CG 4.11Å; P45-K48 HydrophobicContact CG-CG 4.09Å; P45-K48 WeakPolarHBondContact O-CB 3.31Å; P45-K48 PolarHBondContact O-N 3.35Å; R46-K48 VanDerWaalsContact C-N 3.3Å; R46-K48 PolarHBondContact O-N 3.41Å; K48-R98 PolarHBondContact O-NE 3.13Å; K48-R98 PolarHBondContact O-NH2 3.05Å
49	W	98.7	Very high	94.9	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	25%	0.246	C	C	.	.			trans	61.2	50.8	173.8	-31.7	118.1	0	0	0	114	W51 Q52 R98 W163 T165 L182 Q184 V236 W243	W49-W51 HydrophobicContact CE3-CH2 4.38Å; W49-W51 AromaticContact CE3-CZ2 3.66Å; W49-W51 HydrophobicContact CE3-CZ2 3.66Å; W49-W51 HydrophobicContact CZ3-CZ2 4.18Å; W49-W51 PolarHBondContact O-N 3.3Å; W49-Q52 HydrophobicContact CB-CB 4.28Å; W49-Q52 VanDerWaalsContact O-CB 3.3Å; W49-Q52 WeakPolarHBondContact O-CB 3.28Å; W49-Q52 PolarHBondContact O-N 2.92Å; W49-R98 VanDerWaalsContact O-CD 3.27Å; W49-R98 WeakPolarHBondContact O-CD 3.47Å; W49-W163 HydrophobicContact CH2-CB 3.77Å; W49-W163 HydrophobicContact CH2-CD2 4.27Å; W49-W163 AromaticContact CH2-CG 3.77Å; W49-W163 HydrophobicContact CH2-CG 3.77Å; W49-W163 HydrophobicContact CZ2-CB 4.16Å; W49-W163 HydrophobicContact CZ2-CD2 4.23Å; W49-W163 HydrophobicContact CZ2-CE3 4.41Å; W49-W163 HydrophobicContact CZ2-CG 4.14Å; W49-W163 HydrophobicContact CZ3-CB 4.46Å; W49-T165 HydrophobicContact CB-CG2 4.44Å; W49-T165 HydrophobicContact CD2-CG2 3.74Å; W49-T165 HydrophobicContact CG-CG2 3.67Å; W49-T165 HydrophobicContact CZ2-CG2 4.39Å; W49-L182 HydrophobicContact CB-CD2 4.4Å; W49-Q184 HydrophobicContact CZ2-CB 4.31Å; W49-V236 HydrophobicContact CE3-CG2 4Å; W49-V236 HydrophobicContact CH2-CG2 4.38Å; W49-V236 HydrophobicContact CZ3-CG2 3.57Å; W49-W243 AromaticContact CH2-CH2 3.97Å; W49-W243 HydrophobicContact CH2-CH2 3.97Å; W49-W243 HydrophobicContact CH2-CZ2 4.1Å; W49-W243 HydrophobicContact CH2-CZ3 4.34Å; W49-W243 HydrophobicContact CZ3-CD2 4.25Å; W49-W243 HydrophobicContact CZ3-CE3 4.28Å; W49-W243 HydrophobicContact CZ3-CH2 4.19Å; W49-W243 HydrophobicContact CZ3-CZ2 4.15Å; W49-W243 HydrophobicContact CZ3-CZ3 4.25Å
50	P	98.8	Very high	95.8	Very high	10 Å²	10	57.4 Å²	57.4	7%	0.065	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.9	-174.9	27.3	-34.3	0	0	0	114.4	H143 V144 H145	P50-H143 VanDerWaalsContact CA-O 3.26Å; P50-H143 WeakPolarHBondContact CA-O 3.43Å; P50-H143 WeakPolarHBondContact CB-O 3.15Å; P50-V144 WeakPolarHBondContact O-CA 3.39Å; P50-H145 CarbonylContact C-O 3.58Å; P50-H145 WeakPolarHBondContact CG-CD2 3.06Å; P50-H145 WeakPolarHBondContact CG-CE1 3.44Å; P50-H145 WeakPolarHBondContact CG-NE2 3.31Å; P50-H145 PolarHBondContact O-N 2.89Å
51	W	98.9	Very high	96.9	Very high	12 Å²	12	60.9 Å²	60.9	5%	0.045	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13	174.3	47.6	81.9	0	0	0	113.9	W49 V53 S69 L70 H145 V147 V236 W243	W49-W51 HydrophobicContact CE3-CH2 4.38Å; W49-W51 AromaticContact CE3-CZ2 3.66Å; W49-W51 HydrophobicContact CE3-CZ2 3.66Å; W49-W51 HydrophobicContact CZ3-CZ2 4.18Å; W49-W51 PolarHBondContact O-N 3.3Å; W51-V53 PolarHBondContact O-N 2.99Å; W51-S69 CarbonylContact O-C 3.47Å; W51-S69 WeakPolarHBondContact O-CA 3.36Å; W51-L70 PolarHBondContact O-N 3.17Å; W51-H145 WeakPolarHBondContact CA-O 3.43Å; W51-H145 VanDerWaalsContact CB-O 3.31Å; W51-H145 WeakPolarHBondContact CB-O 3.43Å; W51-H145 AromaticContact CE3-CE1 3.98Å; W51-H145 AromaticContact CZ3-CE1 3.88Å; W51-H145 PolarHBondContact N-O 2.88Å; W51-V147 HydrophobicContact CB-CB 3.8Å; W51-V147 HydrophobicContact CB-CG1 4.22Å; W51-V147 HydrophobicContact CD2-CB 3.57Å; W51-V147 HydrophobicContact CD2-CG2 3.91Å; W51-V147 HydrophobicContact CE3-CB 3.92Å; W51-V147 HydrophobicContact CE3-CG2 4.27Å; W51-V147 HydrophobicContact CG-CB 3.53Å; W51-V147 HydrophobicContact CG-CG1 4.22Å; W51-V147 HydrophobicContact CG-CG2 4.23Å; W51-V147 HydrophobicContact CZ2-CG2 4.24Å; W51-V236 HydrophobicContact CZ2-CB 4.41Å; W51-V236 HydrophobicContact CZ2-CG1 3.98Å; W51-V236 HydrophobicContact CZ2-CG2 4.2Å; W51-W243 HydrophobicContact CH2-CB 3.55Å; W51-W243 AromaticContact CH2-CD1 3.83Å; W51-W243 AromaticContact CH2-CG 3.73Å; W51-W243 HydrophobicContact CH2-CG 3.73Å; W51-W243 HydrophobicContact CZ2-CB 4.04Å; W51-W243 HydrophobicContact CZ2-CG 4.28Å; W51-W243 HydrophobicContact CZ3-CB 4.41Å
52	Q	98.9	Very high	97.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	131	-177.8	178.4	72.1	57	0	0	109.7	W49 G68 R98 T165 W167 L182	W49-Q52 HydrophobicContact CB-CB 4.28Å; W49-Q52 VanDerWaalsContact O-CB 3.3Å; W49-Q52 WeakPolarHBondContact O-CB 3.28Å; W49-Q52 PolarHBondContact O-N 2.92Å; Q52-G68 PolarHBondContact NE2-O 3.42Å; Q52-R98 WeakPolarHBondContact O-CA 3.44Å; Q52-R98 WeakPolarHBondContact O-CB 3.39Å; Q52-R98 PolarHBondContact O-N 3.14Å; Q52-T165 PolarHBondContact OE1-O 3.32Å; Q52-T165 PolarHBondContact OE1-OG1 2.98Å; Q52-W167 HydrophobicContact CG-CE3 4.44Å; Q52-W167 HydrophobicContact CG-CH2 3.51Å; Q52-W167 HydrophobicContact CG-CZ2 4.46Å; Q52-W167 HydrophobicContact CG-CZ3 3.49Å; Q52-W167 VanDerWaalsContact CG-CZ3 3.49Å; Q52-L182 HydrophobicContact CB-CD2 4.31Å; Q52-L182 HydrophobicContact CG-CD1 3.8Å; Q52-L182 HydrophobicContact CG-CD2 4.12Å
53	V	98.9	Very high	97.6	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.9	170.3	-50.5	0	0	0	0	111.1	W51 L55 G67 G68 L70 V76 V95 Q96 L97	W51-V53 PolarHBondContact O-N 2.99Å; V53-L55 HydrophobicContact CG2-CD2 4.43Å; V53-G67 WeakPolarHBondContact O-CA 3.48Å; V53-G68 VanDerWaalsContact CG2-CA 3.44Å; V53-G68 PolarHBondContact N-O 3.06Å; V53-G68 PolarHBondContact O-N 3.36Å; V53-L70 HydrophobicContact CG1-CB 4.32Å; V53-V76 HydrophobicContact CG1-CG2 4.36Å; V53-V76 HydrophobicContact CG2-CB 4.48Å; V53-V76 HydrophobicContact CG2-CG1 3.48Å; V53-V76 VanDerWaalsContact CG2-CG1 3.48Å; V53-V76 HydrophobicContact CG2-CG2 4.13Å; V53-V95 HydrophobicContact CB-CG1 4Å; V53-V95 HydrophobicContact CG1-CG1 4.28Å; V53-V95 HydrophobicContact CG2-CG1 4.23Å; V53-Q96 CarbonylContact C-O 3.55Å; V53-Q96 VanDerWaalsContact CA-O 3.3Å; V53-Q96 WeakPolarHBondContact CA-O 3.37Å; V53-Q96 WeakPolarHBondContact CB-O 3.11Å; V53-L97 HydrophobicContact CG1-CD2 3.95Å
54	S	98.9	Very high	97.6	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.1	172.5	161.2	0	0	0	0	108.9	R56 H64 Q96	S54-R56 VanDerWaalsContact OG-CD 3.27Å; S54-R56 WeakPolarHBondContact OG-CD 3.25Å; S54-R56 PolarHBondContact OG-NE 2.93Å; S54-H64 PolarHBondContact OG-ND1 3.05Å; S54-Q96 PolarHBondContact N-O 3.46Å; S54-Q96 PolarHBondContact O-N 2.8Å
55	L	98.9	Very high	97.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.8	168.4	-53.9	-169.7	0	0	0	109.7	V53 F65 C66 T78 C82 L93 V95 L132	V53-L55 HydrophobicContact CG2-CD2 4.43Å; L55-F65 HydrophobicContact CB-CD1 4.32Å; L55-F65 HydrophobicContact CB-CE1 3.62Å; L55-F65 HydrophobicContact CB-CE2 4.48Å; L55-F65 HydrophobicContact CB-CZ 3.72Å; L55-F65 HydrophobicContact CD1-CZ 4.28Å; L55-F65 WeakPolarHBondContact O-CD1 3.41Å; L55-F65 PolarHBondContact O-N 2.94Å; L55-C66 HydrophobicContact CB-CB 4.19Å; L55-C66 HydrophobicContact CD1-CB 4.03Å; L55-C66 HydrophobicContact CG-CB 4.31Å; L55-C66 PolarHBondContact N-O 3.14Å; L55-T78 HydrophobicContact CD1-CG2 4.04Å; L55-T78 WeakPolarHBondContact CD1-OG1 3.4Å; L55-C82 HydrophobicContact CD1-CB 4.39Å; L55-L93 HydrophobicContact CB-CD1 4.31Å; L55-V95 HydrophobicContact CD2-CG2 3.81Å; L55-L132 HydrophobicContact CD1-CD1 3.94Å; L55-L132 HydrophobicContact CD2-CD1 3.43Å; L55-L132 VanDerWaalsContact CD2-CD1 3.43Å; L55-L132 HydrophobicContact CG-CD1 4.36Å
56	R	98.6	Very high	97.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132	-175.8	-56.8	-59.5	-165.1	68.5	11.8	110.8	S54 W62 M63 L93 R94 Q96 Y103 D106 L108	S54-R56 VanDerWaalsContact OG-CD 3.27Å; S54-R56 WeakPolarHBondContact OG-CD 3.25Å; S54-R56 PolarHBondContact OG-NE 2.93Å; R56-W62 HydrophobicContact CB-CB 4.1Å; R56-W62 HydrophobicContact CB-CE3 4.07Å; R56-W62 WeakPolarHBondContact CD-O 3.4Å; R56-W62 PolarHBondContact NH1-O 2.86Å; R56-M63 CarbonylContact C-O 3.43Å; R56-M63 VanDerWaalsContact CA-O 3.27Å; R56-M63 WeakPolarHBondContact CA-O 3.26Å; R56-L93 WeakPolarHBondContact O-CA 3.46Å; R56-R94 HydrophobicContact CB-CB 4.31Å; R56-R94 PolarHBondContact N-O 3.28Å; R56-R94 PolarHBondContact O-N 2.85Å; R56-Q96 HydrophobicContact CG-CB 4.44Å; R56-Y103 VanDerWaalsContact NH1-CD1 3.34Å; R56-D106 IonicContact CZ-OD1 3.19Å; R56-D106 IonicContact CZ-OD2 3.63Å; R56-D106 IonicContact NH1-OD1 3.38Å; R56-D106 IonicContact NH1-OD2 2.78Å; R56-D106 PolarHBondContact NH1-OD2 2.83Å; R56-D106 VanDerWaalsContact NH2-CG 3.33Å; R56-D106 IonicContact NH2-OD1 3.12Å; R56-D106 PolarHBondContact NH2-OD1 3.33Å; R56-D106 IonicContact NH2-OD2 3.85Å; R56-D106 PolarHBondContact NH2-OD2 2.97Å; R56-L108 HydrophobicContact CG-CD2 4Å
57	V	97.5	Very high	97.7	Very high	48 Å²	48	50.7 Å²	50.7	29%	0.291	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.9	174	66.2	0	0	0	0	110.2	D59 W62 M63 F65 A92	V57-D59 PolarHBondContact O-N 3.34Å; V57-W62 WeakPolarHBondContact O-CA 3.45Å; V57-M63 HydrophobicContact CG1-CB 4.37Å; V57-M63 HydrophobicContact CG1-CE 4.22Å; V57-M63 PolarHBondContact N-O 3.05Å; V57-M63 PolarHBondContact O-N 2.93Å; V57-F65 HydrophobicContact CB-CD1 3.71Å; V57-F65 HydrophobicContact CB-CE1 3.95Å; V57-F65 HydrophobicContact CB-CG 4.5Å; V57-F65 HydrophobicContact CG1-CB 4.37Å; V57-F65 HydrophobicContact CG1-CD1 3.87Å; V57-F65 HydrophobicContact CG1-CG 4.34Å; V57-A92 CarbonylContact C-O 3.56Å; V57-A92 VanDerWaalsContact CA-O 3.29Å; V57-A92 WeakPolarHBondContact CA-O 3.33Å
58	R	95.3	Very high	97.8	Very high	149 Å²	149	45.9 Å²	45.9	56%	0.562	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	111.3	176.2	-173.6	160.2	60.9	100.7	0.1	110.9	W62 A92	R58-W62 HydrophobicContact CB-CE3 4.16Å; R58-W62 HydrophobicContact CB-CH2 3.86Å; R58-W62 HydrophobicContact CB-CZ2 4.34Å; R58-W62 HydrophobicContact CB-CZ3 3.76Å; R58-W62 HydrophobicContact CG-CH2 4.4Å; R58-W62 HydrophobicContact CG-CZ2 4.44Å; R58-A92 HydrophobicContact CB-CB 4.42Å; R58-A92 PolarHBondContact N-O 3.4Å
59	D	91.8	Very high	97.8	Very high	100 Å²	100	42 Å²	42	54%	0.535	18%	0.181	S	C	.	.	S	Bend	trans	-130	-140.5	168.3	-170.4	-6.4	0	0	0	108.2	V57 Y61	V57-D59 PolarHBondContact O-N 3.34Å; D59-Y61 CarbonylContact C-O 3.49Å; D59-Y61 PolarHBondContact N-O 3.26Å; D59-Y61 VanDerWaalsContact N-O 3.08Å; D59-Y61 PolarHBondContact O-N 3.01Å
60	R	94.1	Very high	97.8	Very high	234 Å²	234	41.9 Å²	41.9	88%	0.883	18%	0.18	S	C	*	.	S	Bend	trans	-56.9	-26.6	170.3	-56.7	-173	-164.8	-167.4	3.1	112.8
61	Y	96.1	Very high	97.8	Very high	115 Å²	115	42.2 Å²	42.2	45%	0.451	18%	0.181	S	C	.	.	S	Bend	trans	-146	175.9	169.3	63.8	-79.7	0	0	0	108.1	D59 M63 Y103	D59-Y61 CarbonylContact C-O 3.49Å; D59-Y61 PolarHBondContact N-O 3.26Å; D59-Y61 VanDerWaalsContact N-O 3.08Å; D59-Y61 PolarHBondContact O-N 3.01Å; Y61-M63 VanDerWaalsContact C-N 3.33Å; Y61-M63 HydrophobicContact CD2-CB 4.31Å; Y61-M63 HydrophobicContact CE2-CB 3.83Å; Y61-M63 HydrophobicContact CE2-CG 4.08Å; Y61-M63 PolarHBondContact O-N 2.96Å; Y61-Y103 HydrophobicContact CD2-CD1 4.23Å; Y61-Y103 HydrophobicContact CD2-CE1 4.08Å; Y61-Y103 HydrophobicContact CE2-CD1 4.19Å; Y61-Y103 AromaticContact CE2-CE1 3.69Å; Y61-Y103 HydrophobicContact CE2-CE1 3.69Å; Y61-Y103 HydrophobicContact CE2-CE2 4.26Å; Y61-Y103 AromaticContact CE2-CZ 3.72Å
62	W	98.1	Very high	97.8	Very high	67 Å²	67	42.7 Å²	42.7	25%	0.254	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	84.5	174.8	-74.2	102.5	0	0	0	110.6	R56 V57 R58 R94 Y103 L108	R56-W62 HydrophobicContact CB-CB 4.1Å; R56-W62 HydrophobicContact CB-CE3 4.07Å; R56-W62 WeakPolarHBondContact CD-O 3.4Å; R56-W62 PolarHBondContact NH1-O 2.86Å; V57-W62 WeakPolarHBondContact O-CA 3.45Å; R58-W62 HydrophobicContact CB-CE3 4.16Å; R58-W62 HydrophobicContact CB-CH2 3.86Å; R58-W62 HydrophobicContact CB-CZ2 4.34Å; R58-W62 HydrophobicContact CB-CZ3 3.76Å; R58-W62 HydrophobicContact CG-CH2 4.4Å; R58-W62 HydrophobicContact CG-CZ2 4.44Å; W62-R94 HydrophobicContact CD2-CG 4.15Å; W62-R94 HydrophobicContact CE3-CB 4Å; W62-R94 HydrophobicContact CE3-CG 3.73Å; W62-R94 HydrophobicContact CH2-CB 4.44Å; W62-R94 HydrophobicContact CH2-CG 3.36Å; W62-R94 HydrophobicContact CZ2-CG 3.8Å; W62-R94 HydrophobicContact CZ3-CB 3.92Å; W62-R94 HydrophobicContact CZ3-CG 3.32Å; W62-Y103 WeakPolarHBondContact O-CE1 3.45Å; W62-L108 HydrophobicContact CB-CD1 3.57Å; W62-L108 HydrophobicContact CD2-CD1 3.69Å; W62-L108 HydrophobicContact CG-CD1 3.19Å
63	M	98.3	Very high	97.8	Very high	62 Å²	62	43.7 Å²	43.7	31%	0.305	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.1	-171.3	-174.9	175	69.9	0	0	111.7	R56 V57 Y61	R56-M63 CarbonylContact C-O 3.43Å; R56-M63 VanDerWaalsContact CA-O 3.27Å; R56-M63 WeakPolarHBondContact CA-O 3.26Å; V57-M63 HydrophobicContact CG1-CB 4.37Å; V57-M63 HydrophobicContact CG1-CE 4.22Å; V57-M63 PolarHBondContact N-O 3.05Å; V57-M63 PolarHBondContact O-N 2.93Å; Y61-M63 VanDerWaalsContact C-N 3.33Å; Y61-M63 HydrophobicContact CD2-CB 4.31Å; Y61-M63 HydrophobicContact CE2-CB 3.83Å; Y61-M63 HydrophobicContact CE2-CG 4.08Å; Y61-M63 PolarHBondContact O-N 2.96Å
64	H	98.6	Very high	97.8	Very high	21 Å²	21	46.1 Å²	46.1	10%	0.097	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.9	169.7	175.5	79.1	0	0	0	110.8	S54 C66 L102 Y103 W167 G229	S54-H64 PolarHBondContact OG-ND1 3.05Å; H64-C66 VanDerWaalsContact CE1-C 3.43Å; H64-C66 PolarHBondContact CE1-O 3.45Å; H64-C66 PolarHBondContact ND1-O 3.35Å; H64-L102 HydrophobicContact CB-CD1 3.58Å; H64-L102 HydrophobicContact CB-CD2 4.4Å; H64-Y103 VanDerWaalsContact CB-OH 3.3Å; H64-Y103 WeakPolarHBondContact CB-OH 3.48Å; H64-Y103 PolarHBondContact N-OH 3.5Å; H64-Y103 VanDerWaalsContact N-OH 3.11Å; H64-W167 AromaticContact CE1-CE3 3.93Å; H64-G229 PolarHBondContact NE2-O 3.3Å; H64-G229 VanDerWaalsContact NE2-O 3.14Å
65	F	98.3	Very high	97.8	Very high	54 Å²	54	46.5 Å²	46.5	24%	0.237	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	-21.5	176.1	75.1	-85.9	0	0	0	113.9	L55 V57 C82 L93	L55-F65 HydrophobicContact CB-CD1 4.32Å; L55-F65 HydrophobicContact CB-CE1 3.62Å; L55-F65 HydrophobicContact CB-CE2 4.48Å; L55-F65 HydrophobicContact CB-CZ 3.72Å; L55-F65 HydrophobicContact CD1-CZ 4.28Å; L55-F65 WeakPolarHBondContact O-CD1 3.41Å; L55-F65 PolarHBondContact O-N 2.94Å; V57-F65 HydrophobicContact CB-CD1 3.71Å; V57-F65 HydrophobicContact CB-CE1 3.95Å; V57-F65 HydrophobicContact CB-CG 4.5Å; V57-F65 HydrophobicContact CG1-CB 4.37Å; V57-F65 HydrophobicContact CG1-CD1 3.87Å; V57-F65 HydrophobicContact CG1-CG 4.34Å; F65-C82 HydrophobicContact CE2-CB 3.96Å; F65-C82 VanDerWaalsContact CE2-O 3.26Å; F65-C82 WeakPolarHBondContact CE2-O 3.3Å; F65-L93 HydrophobicContact CE1-CD1 3.82Å; F65-L93 HydrophobicContact CZ-CD1 3.84Å
66	C	98.8	Very high	97.8	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159.9	176.5	-84.8	0	0	0	0	110.9	L55 H64 C82 G229 S231	L55-C66 HydrophobicContact CB-CB 4.19Å; L55-C66 HydrophobicContact CD1-CB 4.03Å; L55-C66 HydrophobicContact CG-CB 4.31Å; L55-C66 PolarHBondContact N-O 3.14Å; H64-C66 VanDerWaalsContact CE1-C 3.43Å; H64-C66 PolarHBondContact CE1-O 3.45Å; H64-C66 PolarHBondContact ND1-O 3.35Å; C66-C82 HydrophobicContact CB-CB 3.75Å; C66-C82 WeakPolarHBondContact CB-SG 3.49Å; C66-C82 WeakPolarHBondContact SG-CB 3.49Å; C66-C82 CovalentContact SG-SG 2.04Å; C66-C82 PolarHBondContact SG-SG 2.83Å; C66-G229 WeakPolarHBondContact CA-O 3.42Å; C66-S231 CarbonylContact C-O 3.5Å; C66-S231 WeakPolarHBondContact CB-O 3.3Å
67	G	98.9	Very high	97.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-178.7	166.3	0	0	0	0	0	113.9	V53 T78 S231 G232	V53-G67 WeakPolarHBondContact O-CA 3.48Å; G67-T78 PolarHBondContact O-OG1 3.15Å; G67-S231 PolarHBondContact N-O 3.28Å; G67-G232 CarbonylContact O-C 3.54Å
68	G	98.9	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	-179.3	173.3	0	0	0	0	0	110.3	Q52 V53 L77 G232	Q52-G68 PolarHBondContact NE2-O 3.42Å; V53-G68 VanDerWaalsContact CG2-CA 3.44Å; V53-G68 PolarHBondContact N-O 3.06Å; V53-G68 PolarHBondContact O-N 3.36Å; G68-L77 CarbonylContact C-O 3.53Å; G68-L77 VanDerWaalsContact CA-O 3.29Å; G68-L77 WeakPolarHBondContact CA-O 3.17Å; G68-G232 VanDerWaalsContact CA-O 3.26Å; G68-G232 WeakPolarHBondContact CA-O 2.86Å
69	S	98.9	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.6	177	44.6	0	0	0	0	111.2	W51 I71 V76 L77 Q245	W51-S69 CarbonylContact O-C 3.47Å; W51-S69 WeakPolarHBondContact O-CA 3.36Å; S69-I71 PolarHBondContact O-N 2.89Å; S69-V76 CarbonylContact O-C 3.59Å; S69-V76 VanDerWaalsContact O-CA 3.3Å; S69-V76 WeakPolarHBondContact O-CA 3.19Å; S69-L77 PolarHBondContact N-O 3.45Å; S69-L77 PolarHBondContact O-N 2.87Å; S69-L77 PolarHBondContact OG-O 3.13Å; S69-Q245 PolarHBondContact OG-NE2 3.28Å; S69-Q245 PolarHBondContact OG-OE1 2.98Å
70	L	98.9	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	115	171.5	-166.9	74.9	0	0	0	108.7	W51 V53 H72 V76 L97 L134 V138 V144 T146 V147	W51-L70 PolarHBondContact O-N 3.17Å; V53-L70 HydrophobicContact CG1-CB 4.32Å; L70-H72 WeakPolarHBondContact CD1-O 3.26Å; L70-H72 WeakPolarHBondContact CG-O 3.43Å; L70-V76 HydrophobicContact CD1-CG2 4.19Å; L70-L97 HydrophobicContact CD1-CD2 4.39Å; L70-L134 HydrophobicContact CD1-CD1 4.4Å; L70-V138 HydrophobicContact CD1-CG2 4.15Å; L70-V138 HydrophobicContact CD2-CG2 3.58Å; L70-V144 HydrophobicContact CD2-CG1 4.17Å; L70-T146 HydrophobicContact CD2-CG2 4.22Å; L70-T146 HydrophobicContact CG-CG2 4.19Å; L70-T146 CarbonylContact O-C 3.56Å; L70-T146 WeakPolarHBondContact O-CA 3.22Å; L70-V147 PolarHBondContact O-N 3.34Å
71	I	98.8	Very high	98.6	Very high	17 Å²	17	24 Å²	24	9%	0.087	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-15.8	-179.8	56.8	160.3	0	0	0	112.3	S69 W75 L77 L131 V147 L149 I274 V278	S69-I71 PolarHBondContact O-N 2.89Å; I71-W75 HydrophobicContact CG1-CB 4.16Å; I71-W75 WeakPolarHBondContact CG1-O 3.48Å; I71-W75 PolarHBondContact N-O 2.9Å; I71-L77 HydrophobicContact CD1-CB 3.92Å; I71-L77 HydrophobicContact CG1-CB 4.12Å; I71-L77 HydrophobicContact CG2-CB 3.83Å; I71-L77 HydrophobicContact CG2-CD2 4.3Å; I71-L131 HydrophobicContact CD1-CD2 3.8Å; I71-V147 HydrophobicContact CG2-CG1 3.79Å; I71-L149 HydrophobicContact CD1-CD1 4.43Å; I71-L149 HydrophobicContact CG2-CD2 3.98Å; I71-I274 HydrophobicContact CD1-CG2 3.86Å; I71-V278 HydrophobicContact CD1-CG1 4.28Å; I71-V278 HydrophobicContact CD1-CG2 3.99Å
72	H	98.6	Very high	98.7	Very high	22 Å²	22	19 Å²	19	10%	0.102	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	155.7	172.3	-175.3	-93.4	0	0	0	108.2	L70 Q74 W75 V278	L70-H72 WeakPolarHBondContact CD1-O 3.26Å; L70-H72 WeakPolarHBondContact CG-O 3.43Å; H72-Q74 PolarHBondContact ND1-N 2.7Å; H72-Q74 PolarHBondContact O-N 3.16Å; H72-W75 HydrophobicContact CB-CB 3.8Å; H72-W75 HydrophobicContact CB-CG 4.15Å; H72-W75 AromaticContact CG-CD1 3.76Å; H72-W75 PolarHBondContact N-O 2.92Å; H72-W75 AromaticContact ND1-CD1 3.51Å; H72-W75 PolarHBondContact O-N 3.27Å; H72-V278 HydrophobicContact CB-CG1 3.69Å
73	P	98.4	Very high	98.6	Very high	22 Å²	22	16 Å²	16	14%	0.143	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-26.5	175.3	-33	37.6	0	0	0	115.6	P137 V138 V140 P282	P73-P137 HydrophobicContact CB-CB 4.17Å; P73-P137 CarbonylContact O-C 3.54Å; P73-P137 WeakPolarHBondContact O-CA 3.4Å; P73-V138 WeakPolarHBondContact O-CG2 3.4Å; P73-V138 PolarHBondContact O-N 2.92Å; P73-V140 HydrophobicContact CG-CG1 4.34Å; P73-P282 HydrophobicContact CG-CB 4.16Å
74	Q	98.6	Very high	98.4	Very high	52 Å²	52	13.5 Å²	13.5	24%	0.243	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	2	179.7	-157	174	-16.3	0	0	113.7	H72 E133 L134 P137	H72-Q74 PolarHBondContact ND1-N 2.7Å; H72-Q74 PolarHBondContact O-N 3.16Å; Q74-E133 HydrophobicContact CG-CG 4.13Å; Q74-E133 WeakPolarHBondContact O-CA 3.48Å; Q74-L134 HydrophobicContact CG-CB 4.22Å; Q74-L134 VanDerWaalsContact CG-O 3.26Å; Q74-L134 WeakPolarHBondContact CG-O 3.35Å; Q74-L134 PolarHBondContact NE2-O 3.4Å; Q74-L134 PolarHBondContact O-N 2.72Å; Q74-P137 HydrophobicContact CB-CB 4.27Å
75	W	98.8	Very high	97.9	Very high	7 Å²	7	15.7 Å²	15.7	3%	0.027	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.5	-174.4	-62	90.2	0	0	0	113.4	I71 H72 I115 L131 L132 E133 Y277 V278	I71-W75 HydrophobicContact CG1-CB 4.16Å; I71-W75 WeakPolarHBondContact CG1-O 3.48Å; I71-W75 PolarHBondContact N-O 2.9Å; H72-W75 HydrophobicContact CB-CB 3.8Å; H72-W75 HydrophobicContact CB-CG 4.15Å; H72-W75 AromaticContact CG-CD1 3.76Å; H72-W75 PolarHBondContact N-O 2.92Å; H72-W75 AromaticContact ND1-CD1 3.51Å; H72-W75 PolarHBondContact O-N 3.27Å; W75-I115 HydrophobicContact CH2-CD1 3.72Å; W75-I115 HydrophobicContact CZ3-CD1 3.74Å; W75-I115 HydrophobicContact CZ3-CG1 4.49Å; W75-L131 HydrophobicContact CE3-CB 3.89Å; W75-L131 HydrophobicContact CE3-CD1 4.45Å; W75-L131 HydrophobicContact CZ3-CB 3.84Å; W75-L131 HydrophobicContact CZ3-CD1 4.29Å; W75-L132 WeakPolarHBondContact CA-O 3.45Å; W75-E133 HydrophobicContact CD2-CB 4.38Å; W75-E133 HydrophobicContact CD2-CG 4.37Å; W75-E133 HydrophobicContact CE3-CB 4.04Å; W75-E133 HydrophobicContact CH2-CB 4.01Å; W75-E133 HydrophobicContact CH2-CG 4.21Å; W75-E133 HydrophobicContact CZ2-CB 4.3Å; W75-E133 HydrophobicContact CZ2-CG 4.01Å; W75-E133 WeakPolarHBondContact CZ2-OE1 3.49Å; W75-E133 HydrophobicContact CZ3-CB 3.86Å; W75-E133 HydrophobicContact CZ3-CG 4.44Å; W75-Y277 WeakPolarHBondContact CZ2-O 3.46Å; W75-V278 HydrophobicContact CB-CG1 4.17Å; W75-V278 HydrophobicContact CB-CG2 3.99Å; W75-V278 HydrophobicContact CD2-CG2 3.76Å; W75-V278 HydrophobicContact CE3-CG2 4.04Å; W75-V278 HydrophobicContact CG-CB 4.39Å; W75-V278 HydrophobicContact CG-CG1 4.04Å; W75-V278 HydrophobicContact CG-CG2 3.74Å
76	V	98.9	Very high	97.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.3	170.4	172.1	0	0	0	0	109.3	V53 S69 L70 V95 L131 L132 L134	V53-V76 HydrophobicContact CG1-CG2 4.36Å; V53-V76 HydrophobicContact CG2-CB 4.48Å; V53-V76 HydrophobicContact CG2-CG1 3.48Å; V53-V76 VanDerWaalsContact CG2-CG1 3.48Å; V53-V76 HydrophobicContact CG2-CG2 4.13Å; S69-V76 CarbonylContact O-C 3.59Å; S69-V76 VanDerWaalsContact O-CA 3.3Å; S69-V76 WeakPolarHBondContact O-CA 3.19Å; L70-V76 HydrophobicContact CD1-CG2 4.19Å; V76-V95 HydrophobicContact CG2-CG1 4.1Å; V76-V95 HydrophobicContact CG2-CG2 4.48Å; V76-L131 WeakPolarHBondContact O-CA 3.31Å; V76-L132 HydrophobicContact CB-CB 4.18Å; V76-L132 HydrophobicContact CB-CD1 4.47Å; V76-L132 HydrophobicContact CG1-CD1 4.25Å; V76-L132 PolarHBondContact N-O 2.9Å; V76-L132 PolarHBondContact O-N 2.95Å; V76-L134 HydrophobicContact CG2-CD2 4.37Å
77	L	98.9	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.6	168	-177.1	66.9	0	0	0	109.8	G68 S69 I71 I129 L131 L149 V248 V267 I274	G68-L77 CarbonylContact C-O 3.53Å; G68-L77 VanDerWaalsContact CA-O 3.29Å; G68-L77 WeakPolarHBondContact CA-O 3.17Å; S69-L77 PolarHBondContact N-O 3.45Å; S69-L77 PolarHBondContact O-N 2.87Å; S69-L77 PolarHBondContact OG-O 3.13Å; I71-L77 HydrophobicContact CD1-CB 3.92Å; I71-L77 HydrophobicContact CG1-CB 4.12Å; I71-L77 HydrophobicContact CG2-CB 3.83Å; I71-L77 HydrophobicContact CG2-CD2 4.3Å; L77-I129 HydrophobicContact CD1-CD1 3.87Å; L77-I129 HydrophobicContact CD1-CG1 3.64Å; L77-L131 HydrophobicContact CB-CD2 4.49Å; L77-L131 HydrophobicContact CD1-CD2 3.82Å; L77-L149 HydrophobicContact CD2-CD2 4.32Å; L77-V248 HydrophobicContact CD2-CG2 3.95Å; L77-V248 HydrophobicContact CG-CG2 4.1Å; L77-V267 HydrophobicContact CD2-CG2 4.45Å; L77-I274 HydrophobicContact CD1-CD1 4.24Å; L77-I274 HydrophobicContact CD1-CG1 4.45Å; L77-I274 HydrophobicContact CD2-CD1 4.34Å
78	T	98.9	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-178.4	179.5	-168.9	0	0	0	0	110.8	L55 G67 A130 L132 G232	L55-T78 HydrophobicContact CD1-CG2 4.04Å; L55-T78 WeakPolarHBondContact CD1-OG1 3.4Å; G67-T78 PolarHBondContact O-OG1 3.15Å; T78-A130 HydrophobicContact CG2-CB 4.08Å; T78-A130 PolarHBondContact N-O 3.17Å; T78-A130 PolarHBondContact O-N 3.24Å; T78-L132 HydrophobicContact CG2-CD1 4.2Å; T78-L132 HydrophobicContact CG2-CD2 4.35Å; T78-L132 HydrophobicContact CG2-CG 4.06Å; T78-G232 WeakPolarHBondContact OG1-CA 3.36Å
79	A	98.9	Very high	95.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.			trans	-84	145	175.4	0	0	0	0	0	110.1	C82 G232 V248	A79-C82 WeakPolarHBondContact O-CB 3.19Å; A79-C82 PolarHBondContact O-N 3.19Å; A79-G232 VanDerWaalsContact N-CA 3.26Å; A79-V248 HydrophobicContact CB-CG1 4.06Å
80	A	98.8	Very high	95	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-66.4	-38.2	179.6	0	0	0	0	0	112.4	C82 V83 G84 V116 F120 D128 A130	A80-C82 PolarHBondContact O-N 3.22Å; A80-C82 VanDerWaalsContact O-N 3.09Å; A80-V83 CarbonylContact O-C 3.54Å; A80-V83 PolarHBondContact O-N 2.8Å; A80-G84 PolarHBondContact O-N 3.25Å; A80-V116 HydrophobicContact CB-CG1 3.77Å; A80-F120 HydrophobicContact CB-CB 3.98Å; A80-F120 HydrophobicContact CB-CD1 3.47Å; A80-F120 VanDerWaalsContact CB-CD1 3.47Å; A80-F120 HydrophobicContact CB-CD2 3.54Å; A80-F120 HydrophobicContact CB-CE1 3.77Å; A80-F120 HydrophobicContact CB-CE2 3.84Å; A80-F120 HydrophobicContact CB-CG 3.34Å; A80-F120 HydrophobicContact CB-CZ 3.96Å; A80-D128 WeakPolarHBondContact CA-OD1 3.08Å; A80-D128 WeakPolarHBondContact CB-OD1 3.29Å; A80-D128 PolarHBondContact N-OD1 2.87Å; A80-A130 HydrophobicContact CB-CB 4.37Å
81	H	98.4	Very high	94.7	Very high	59 Å²	59	40 Å²	40	27%	0.273	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-63.6	-17.9	-179.3	77.2	-99.9	0	0	0	113.3	V83 F120 D128 S231 S250	H81-V83 VanDerWaalsContact C-N 3.3Å; H81-F120 VanDerWaalsContact CA-CZ 3.45Å; H81-F120 HydrophobicContact CB-CE1 4.44Å; H81-F120 HydrophobicContact CB-CE2 4.19Å; H81-F120 HydrophobicContact CB-CZ 3.55Å; H81-D128 IonicContact CE1-OD2 3.68Å; H81-D128 PolarHBondContact CE1-OD2 2.83Å; H81-D128 IonicContact CG-OD1 3.65Å; H81-D128 IonicContact CG-OD2 3.73Å; H81-D128 PolarHBondContact N-OD1 2.84Å; H81-D128 VanDerWaalsContact ND1-CG 3.33Å; H81-D128 IonicContact ND1-OD1 3.81Å; H81-D128 PolarHBondContact ND1-OD1 3.2Å; H81-D128 IonicContact ND1-OD2 3.71Å; H81-D128 PolarHBondContact ND1-OD2 2.91Å; H81-S231 VanDerWaalsContact CE1-CB 3.42Å; H81-S231 WeakPolarHBondContact CE1-CB 3.33Å; H81-S231 PolarHBondContact CE1-OG 2.96Å; H81-S231 VanDerWaalsContact CE1-OG 3.25Å; H81-S231 WeakPolarHBondContact NE2-CB 3.27Å; H81-S231 PolarHBondContact NE2-OG 3.39Å; H81-S250 PolarHBondContact CE1-O 3.01Å
82	C	98.3	Very high	94.5	Very high	11 Å²	11	40.5 Å²	40.5	7%	0.074	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-67.7	-31.9	171.6	-67.2	0	0	0	0	111.9	L55 F65 C66 A79 A80	L55-C82 HydrophobicContact CD1-CB 4.39Å; F65-C82 HydrophobicContact CE2-CB 3.96Å; F65-C82 VanDerWaalsContact CE2-O 3.26Å; F65-C82 WeakPolarHBondContact CE2-O 3.3Å; C66-C82 HydrophobicContact CB-CB 3.75Å; C66-C82 WeakPolarHBondContact CB-SG 3.49Å; C66-C82 WeakPolarHBondContact SG-CB 3.49Å; C66-C82 CovalentContact SG-SG 2.04Å; C66-C82 PolarHBondContact SG-SG 2.83Å; A79-C82 WeakPolarHBondContact O-CB 3.19Å; A79-C82 PolarHBondContact O-N 3.19Å; A80-C82 PolarHBondContact O-N 3.22Å; A80-C82 VanDerWaalsContact O-N 3.09Å
83	V	97.8	Very high	94.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	10.8	-168.2	-63.9	0	0	0	0	113.9	A80 H81 K88 L93 I114 V116 A130 L132	A80-V83 CarbonylContact O-C 3.54Å; A80-V83 PolarHBondContact O-N 2.8Å; H81-V83 VanDerWaalsContact C-N 3.3Å; V83-K88 WeakPolarHBondContact O-CG 3.36Å; V83-L93 HydrophobicContact CG1-CD2 4.18Å; V83-I114 HydrophobicContact CB-CG2 4.01Å; V83-I114 HydrophobicContact CG2-CG2 3.74Å; V83-V116 HydrophobicContact CG2-CG2 3.94Å; V83-A130 HydrophobicContact CG2-CB 3.69Å; V83-L132 HydrophobicContact CG1-CD2 4.22Å; V83-L132 HydrophobicContact CG2-CD2 4.47Å
84	G	93.8	Very high	94.5	Very high	8 Å²	8	41.7 Å²	41.7	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.4	-174.2	-178.8	0	0	0	0	0	112	A80 D86	A80-G84 PolarHBondContact O-N 3.25Å; G84-D86 VanDerWaalsContact C-N 3.34Å
85	P	87.7	Confident	94.5	Very high	68 Å²	68	39.2 Å²	39.2	44%	0.442	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	cis	-74	-21.2	2.6	30.7	-35.5	0	0	0	113.3	F120 Y121	P85-F120 HydrophobicContact CB-CD1 4.32Å; P85-F120 HydrophobicContact CB-CE1 4.26Å; P85-Y121 HydrophobicContact CB-CD2 4.45Å; P85-Y121 HydrophobicContact CG-CD2 4.44Å
86	D	87.7	Confident	94.5	Very high	119 Å²	119	39.3 Å²	39.3	64%	0.636	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	140	177.4	-60	-42.8	0	0	0	111.7	G84 K88	G84-D86 VanDerWaalsContact C-N 3.34Å; D86-K88 PolarHBondContact O-N 2.81Å
87	V	79.4	Confident	94.5	Very high	146 Å²	146	40.6 Å²	40.6	89%	0.885	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	121	177.9	-179.1	0	0	0	0	109.9
88	K	82.6	Confident	94.5	Very high	100 Å²	100	40.8 Å²	40.8	44%	0.435	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-88.1	143.7	174.8	-57.6	-63	-178.2	-171.5	0	110.6	V83 D86 L90 I114	V83-K88 WeakPolarHBondContact O-CG 3.36Å; D86-K88 PolarHBondContact O-N 2.81Å; K88-L90 PolarHBondContact O-N 2.82Å; K88-I114 HydrophobicContact CB-CD1 4.22Å
89	D	90	Very high	94.5	Very high	98 Å²	98	42.3 Å²	42.3	52%	0.524	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-67.4	117.6	167.4	178.3	8.9	0	0	0	109.8	A91 A92	D89-A91 PolarHBondContact O-N 3.12Å; D89-A91 VanDerWaalsContact OD1-CB 3.31Å; D89-A91 WeakPolarHBondContact OD1-CB 3.26Å; D89-A91 PolarHBondContact OD1-N 2.04Å; D89-A92 HydrophobicContact CB-CB 4.38Å; D89-A92 WeakPolarHBondContact O-CB 3.34Å; D89-A92 PolarHBondContact O-N 3.39Å
90	L	92	Very high	94.5	Very high	61 Å²	61	42.5 Å²	42.5	32%	0.319	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58.9	-28.9	176.4	-69.8	170.9	0	0	0	112.2	K88 A92 L93 R94 V111 S112 I114	K88-L90 PolarHBondContact O-N 2.82Å; L90-A92 PolarHBondContact O-N 2.86Å; L90-L93 PolarHBondContact O-N 3Å; L90-R94 PolarHBondContact O-NH1 2.93Å; L90-V111 HydrophobicContact CD2-CB 4.34Å; L90-V111 HydrophobicContact CD2-CG1 3.92Å; L90-S112 WeakPolarHBondContact CD1-O 3.35Å; L90-I114 HydrophobicContact CD2-CD1 3.52Å; L90-I114 HydrophobicContact CD2-CG1 3.59Å; L90-I114 HydrophobicContact CG-CD1 4.5Å
91	A	93.1	Very high	94.5	Very high	46 Å²	46	44.5 Å²	44.5	38%	0.38	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-68.6	-15.6	176.3	0	0	0	0	0	112.9	D89	D89-A91 PolarHBondContact O-N 3.12Å; D89-A91 VanDerWaalsContact OD1-CB 3.31Å; D89-A91 WeakPolarHBondContact OD1-CB 3.26Å; D89-A91 PolarHBondContact OD1-N 2.04Å
92	A	95.5	Very high	94.5	Very high	27 Å²	27	41.9 Å²	41.9	22%	0.223	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-96.4	-0.6	175.7	0	0	0	0	0	113.5	V57 R58 D89 L90	V57-A92 CarbonylContact C-O 3.56Å; V57-A92 VanDerWaalsContact CA-O 3.29Å; V57-A92 WeakPolarHBondContact CA-O 3.33Å; R58-A92 HydrophobicContact CB-CB 4.42Å; R58-A92 PolarHBondContact N-O 3.4Å; D89-A92 HydrophobicContact CB-CB 4.38Å; D89-A92 WeakPolarHBondContact O-CB 3.34Å; D89-A92 PolarHBondContact O-N 3.39Å; L90-A92 PolarHBondContact O-N 2.86Å
93	L	98.2	Very high	94.5	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.8	-178	-178.1	64	0	0	0	111.9	L55 R56 F65 V83 L90 V111 I114 L132	L55-L93 HydrophobicContact CB-CD1 4.31Å; R56-L93 WeakPolarHBondContact O-CA 3.46Å; F65-L93 HydrophobicContact CE1-CD1 3.82Å; F65-L93 HydrophobicContact CZ-CD1 3.84Å; V83-L93 HydrophobicContact CG1-CD2 4.18Å; L90-L93 PolarHBondContact O-N 3Å; L93-V111 HydrophobicContact CD2-CB 4.47Å; L93-V111 HydrophobicContact CD2-CG1 4.42Å; L93-V111 HydrophobicContact CD2-CG2 4.17Å; L93-V111 HydrophobicContact CG-CG2 4.19Å; L93-I114 HydrophobicContact CD2-CD1 3.8Å; L93-I114 HydrophobicContact CD2-CG1 4.1Å; L93-L132 HydrophobicContact CD2-CD1 4.35Å; L93-L132 HydrophobicContact CD2-CD2 4.2Å
94	R	98.6	Very high	94.5	Very high	62 Å²	62	51.2 Å²	51.2	23%	0.234	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157	169.3	-66.4	-68.2	179.5	-95.9	7.1	111	R56 W62 L90 L108 L109	R56-R94 HydrophobicContact CB-CB 4.31Å; R56-R94 PolarHBondContact N-O 3.28Å; R56-R94 PolarHBondContact O-N 2.85Å; W62-R94 HydrophobicContact CD2-CG 4.15Å; W62-R94 HydrophobicContact CE3-CB 4Å; W62-R94 HydrophobicContact CE3-CG 3.73Å; W62-R94 HydrophobicContact CH2-CB 4.44Å; W62-R94 HydrophobicContact CH2-CG 3.36Å; W62-R94 HydrophobicContact CZ2-CG 3.8Å; W62-R94 HydrophobicContact CZ3-CB 3.92Å; W62-R94 HydrophobicContact CZ3-CG 3.32Å; L90-R94 PolarHBondContact O-NH1 2.93Å; R94-L108 HydrophobicContact CB-CB 3.99Å; R94-L108 HydrophobicContact CG-CB 4.13Å; R94-L109 WeakPolarHBondContact CA-O 3.07Å; R94-L109 VanDerWaalsContact CD-O 3.27Å; R94-L109 WeakPolarHBondContact CD-O 3.22Å
95	V	98.8	Very high	94.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	172.9	173.5	0	0	0	0	109.1	V53 L55 V76 L109 V111 L132 L134	V53-V95 HydrophobicContact CB-CG1 4Å; V53-V95 HydrophobicContact CG1-CG1 4.28Å; V53-V95 HydrophobicContact CG2-CG1 4.23Å; L55-V95 HydrophobicContact CD2-CG2 3.81Å; V76-V95 HydrophobicContact CG2-CG1 4.1Å; V76-V95 HydrophobicContact CG2-CG2 4.48Å; V95-L109 HydrophobicContact CB-CB 4.41Å; V95-L109 PolarHBondContact N-O 2.75Å; V95-L109 WeakPolarHBondContact O-CB 3.45Å; V95-L109 PolarHBondContact O-N 3.08Å; V95-V111 HydrophobicContact CG2-CG2 3.74Å; V95-L132 HydrophobicContact CG2-CD1 4.11Å; V95-L134 HydrophobicContact CB-CD2 3.9Å; V95-L134 HydrophobicContact CG1-CD2 4.23Å; V95-L134 HydrophobicContact CG2-CD2 3.82Å
96	Q	98.8	Very high	95.1	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.3	166.6	172.3	58.4	53.3	0	0	108.2	V53 S54 R56 D106 Q107 L108	V53-Q96 CarbonylContact C-O 3.55Å; V53-Q96 VanDerWaalsContact CA-O 3.3Å; V53-Q96 WeakPolarHBondContact CA-O 3.37Å; V53-Q96 WeakPolarHBondContact CB-O 3.11Å; S54-Q96 PolarHBondContact N-O 3.46Å; S54-Q96 PolarHBondContact O-N 2.8Å; R56-Q96 HydrophobicContact CG-CB 4.44Å; Q96-D106 VanDerWaalsContact OE1-CA 3.28Å; Q96-Q107 PolarHBondContact OE1-O 2.83Å; Q96-L108 HydrophobicContact CB-CD2 4.13Å
97	L	98.8	Very high	95.6	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.141	29%	0.286	C	S	.	.			trans	-69.3	175.5	175	-63.7	175.7	0	0	0	111.7	V53 L70 E99 L109 V138 V144	V53-L97 HydrophobicContact CG1-CD2 3.95Å; L70-L97 HydrophobicContact CD1-CD2 4.39Å; L97-E99 PolarHBondContact O-N 3.05Å; L97-E99 VanDerWaalsContact O-N 3.1Å; L97-L109 HydrophobicContact CD1-CD1 3.87Å; L97-L109 HydrophobicContact CD2-CD1 4.13Å; L97-L109 HydrophobicContact CG-CD1 3.76Å; L97-V138 HydrophobicContact CD1-CB 4.02Å; L97-V138 HydrophobicContact CD1-CG1 3.81Å; L97-V138 HydrophobicContact CD1-CG2 4.42Å; L97-V138 HydrophobicContact CD2-CG1 4.22Å; L97-V138 HydrophobicContact CG-CG1 4.49Å; L97-V144 HydrophobicContact CB-CG1 4.26Å; L97-V144 HydrophobicContact CB-CG2 4.22Å; L97-V144 HydrophobicContact CD1-CG1 3.76Å; L97-V144 HydrophobicContact CD1-CG2 4.5Å; L97-V144 HydrophobicContact CD2-CG1 4.23Å; L97-V144 HydrophobicContact CG-CG1 4.3Å
98	R	98.6	Very high	96.5	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.011	26%	0.256	C	S	.	.	S	Bend	trans	-47.1	119.8	179.4	174	63.1	173	86.3	-5.4	110.6	P45 K48 W49 Q52 H143 V144 L182	P45-R98 PolarHBondContact O-NH2 2.88Å; K48-R98 PolarHBondContact O-NE 3.13Å; K48-R98 PolarHBondContact O-NH2 3.05Å; W49-R98 VanDerWaalsContact O-CD 3.27Å; W49-R98 WeakPolarHBondContact O-CD 3.47Å; Q52-R98 WeakPolarHBondContact O-CA 3.44Å; Q52-R98 WeakPolarHBondContact O-CB 3.39Å; Q52-R98 PolarHBondContact O-N 3.14Å; R98-H143 PolarHBondContact O-NE2 3.06Å; R98-V144 HydrophobicContact CB-CG2 4.3Å; R98-L182 VanDerWaalsContact CZ-CD2 3.45Å; R98-L182 VanDerWaalsContact NE-CD2 3.26Å
99	E	98.4	Very high	97.3	Very high	33 Å²	33	49.4 Å²	49.4	15%	0.154	24%	0.243	C	C	.	.			trans	-140.3	155.2	171.8	-97.7	-55.6	156.4	0	0	110.4	L97 W167	L97-E99 PolarHBondContact O-N 3.05Å; L97-E99 VanDerWaalsContact O-N 3.1Å; E99-W167 WeakPolarHBondContact O-CZ2 3.47Å
100	Q	98.4	Very high	97.7	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.014	23%	0.23	C	C	.	.	S	Bend	trans	-73.3	-37.1	-176.3	-171.1	59.8	29.5	0	0	112.1	E43 A44 R46 P181 L182	E43-Q100 PolarHBondContact OE1-NE2 2.66Å; A44-Q100 PolarHBondContact O-NE2 2.97Å; A44-Q100 PolarHBondContact O-OE1 3.16Å; R46-Q100 HydrophobicContact CG-CB 4.22Å; R46-Q100 HydrophobicContact CG-CG 4.07Å; Q100-P181 CarbonylContact O-C 3.6Å; Q100-P181 VanDerWaalsContact O-CA 3.31Å; Q100-P181 WeakPolarHBondContact O-CA 3.23Å; Q100-L182 PolarHBondContact O-N 2.8Å
101	H	98.7	Very high	98	Very high	42 Å²	42	44.1 Å²	44.1	19%	0.194	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-133.4	134	-174.6	-61.8	105.3	0	0	0	108.9	E43 Y104 P179 F180	E43-H101 IonicContact OE1-NE2 2.72Å; H101-Y104 HydrophobicContact CB-CD2 3.71Å; H101-Y104 HydrophobicContact CB-CE2 4.33Å; H101-Y104 HydrophobicContact CB-CG 4.45Å; H101-P179 VanDerWaalsContact CB-O 3.3Å; H101-P179 WeakPolarHBondContact CB-O 3.29Å; H101-P179 PolarHBondContact CD2-O 3.1Å; H101-P179 VanDerWaalsContact CD2-O 3.27Å; H101-F180 WeakPolarHBondContact CA-O 3.4Å
102	L	98.7	Very high	98.2	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	143.9	175	-63.7	173.8	0	0	0	110.7	H64 Y104 W167 F180	H64-L102 HydrophobicContact CB-CD1 3.58Å; H64-L102 HydrophobicContact CB-CD2 4.4Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 WeakPolarHBondContact O-CD2 3.3Å; L102-Y104 PolarHBondContact O-N 3.28Å; L102-Y104 VanDerWaalsContact O-N 3.16Å; L102-W167 HydrophobicContact CD1-CB 3.61Å; L102-W167 HydrophobicContact CD1-CD2 4.34Å; L102-W167 HydrophobicContact CD1-CG 3.7Å; L102-W167 HydrophobicContact CD2-CD2 3.79Å; L102-W167 HydrophobicContact CD2-CE3 4.19Å; L102-W167 HydrophobicContact CD2-CG 4.01Å; L102-W167 HydrophobicContact CD2-CZ2 4.29Å; L102-W167 HydrophobicContact CG-CB 4.23Å; L102-W167 HydrophobicContact CG-CD2 4.05Å; L102-W167 HydrophobicContact CG-CG 3.75Å; L102-F180 HydrophobicContact CB-CB 3.88Å; L102-F180 HydrophobicContact CD1-CB 4.18Å; L102-F180 HydrophobicContact CG-CB 4.21Å; L102-F180 PolarHBondContact N-O 2.84Å
103	Y	98.4	Very high	98.4	Very high	63 Å²	63	47.7 Å²	47.7	25%	0.247	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-18.1	168	-36.3	-58.4	0	0	0	116.9	R56 Y61 W62 H64 D106 F180	R56-Y103 VanDerWaalsContact NH1-CD1 3.34Å; Y61-Y103 HydrophobicContact CD2-CD1 4.23Å; Y61-Y103 HydrophobicContact CD2-CE1 4.08Å; Y61-Y103 HydrophobicContact CE2-CD1 4.19Å; Y61-Y103 AromaticContact CE2-CE1 3.69Å; Y61-Y103 HydrophobicContact CE2-CE1 3.69Å; Y61-Y103 HydrophobicContact CE2-CE2 4.26Å; Y61-Y103 AromaticContact CE2-CZ 3.72Å; W62-Y103 WeakPolarHBondContact O-CE1 3.45Å; H64-Y103 VanDerWaalsContact CB-OH 3.3Å; H64-Y103 WeakPolarHBondContact CB-OH 3.48Å; H64-Y103 PolarHBondContact N-OH 3.5Å; H64-Y103 VanDerWaalsContact N-OH 3.11Å; Y103-D106 VanDerWaalsContact CA-OD1 3.31Å; Y103-D106 WeakPolarHBondContact CA-OD1 3.1Å; Y103-D106 WeakPolarHBondContact CA-OD2 3.22Å; Y103-D106 PolarHBondContact N-OD1 3.48Å; Y103-D106 VanDerWaalsContact N-OD1 3.08Å; Y103-F180 AromaticContact CD2-CD2 3.64Å; Y103-F180 HydrophobicContact CD2-CD2 3.64Å; Y103-F180 AromaticContact CD2-CE2 3.79Å; Y103-F180 HydrophobicContact CD2-CE2 3.79Å; Y103-F180 HydrophobicContact CD2-CG 4.35Å; Y103-F180 AromaticContact CE2-CD2 3.77Å; Y103-F180 HydrophobicContact CE2-CD2 3.77Å; Y103-F180 AromaticContact CE2-CE2 3.9Å; Y103-F180 HydrophobicContact CE2-CE2 3.9Å; Y103-F180 HydrophobicContact CE2-CG 4.08Å; Y103-F180 HydrophobicContact CE2-CZ 4.32Å
104	Y	97.8	Very high	98.4	Very high	147 Å²	147	49.3 Å²	49.3	58%	0.576	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-33.2	-174.9	-74.3	-92.8	0	0	0	114.3	H101 L102 P179	H101-Y104 HydrophobicContact CB-CD2 3.71Å; H101-Y104 HydrophobicContact CB-CE2 4.33Å; H101-Y104 HydrophobicContact CB-CG 4.45Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 WeakPolarHBondContact O-CD2 3.3Å; L102-Y104 PolarHBondContact O-N 3.28Å; L102-Y104 VanDerWaalsContact O-N 3.16Å; Y104-P179 HydrophobicContact CE2-CB 3.87Å
105	Q	97.4	Very high	98.4	Very high	124 Å²	124	47.3 Å²	47.3	58%	0.579	23%	0.225	S	C	*	.	S	Bend	trans	-136.7	44.8	-175.8	-63.4	-177.8	42.7	0	0	110.4	Q107	Q105-Q107 PolarHBondContact O-N 2.88Å
106	D	97.9	Very high	98.4	Very high	56 Å²	56	49.3 Å²	49.3	30%	0.299	24%	0.237	S	C	.	.			trans	-70.2	131.6	-173.3	-79.6	-0.4	0	0	0	112.3	R56 Q96 Y103 L108	R56-D106 IonicContact CZ-OD1 3.19Å; R56-D106 IonicContact CZ-OD2 3.63Å; R56-D106 IonicContact NH1-OD1 3.38Å; R56-D106 IonicContact NH1-OD2 2.78Å; R56-D106 PolarHBondContact NH1-OD2 2.83Å; R56-D106 VanDerWaalsContact NH2-CG 3.33Å; R56-D106 IonicContact NH2-OD1 3.12Å; R56-D106 PolarHBondContact NH2-OD1 3.33Å; R56-D106 IonicContact NH2-OD2 3.85Å; R56-D106 PolarHBondContact NH2-OD2 2.97Å; Q96-D106 VanDerWaalsContact OE1-CA 3.28Å; Y103-D106 VanDerWaalsContact CA-OD1 3.31Å; Y103-D106 WeakPolarHBondContact CA-OD1 3.1Å; Y103-D106 WeakPolarHBondContact CA-OD2 3.22Å; Y103-D106 PolarHBondContact N-OD1 3.48Å; Y103-D106 VanDerWaalsContact N-OD1 3.08Å; D106-L108 HydrophobicContact CB-CD2 4.21Å; D106-L108 HydrophobicContact CB-CG 4.38Å
107	Q	97.9	Very high	98.4	Very high	147 Å²	147	49.7 Å²	49.7	69%	0.687	24%	0.239	S	C	*	.			trans	-129	92.5	164.7	-176.4	-179.2	-8.8	0	0	107.5	Q96 Q105 L109	Q96-Q107 PolarHBondContact OE1-O 2.83Å; Q105-Q107 PolarHBondContact O-N 2.88Å; Q107-L109 PolarHBondContact O-N 2.83Å
108	L	98.5	Very high	98.3	Very high	46 Å²	46	53.6 Å²	53.6	24%	0.241	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-80.5	119.7	-171.2	-58.9	-178.3	0	0	0	111.5	R56 W62 R94 Q96 D106	R56-L108 HydrophobicContact CG-CD2 4Å; W62-L108 HydrophobicContact CB-CD1 3.57Å; W62-L108 HydrophobicContact CD2-CD1 3.69Å; W62-L108 HydrophobicContact CG-CD1 3.19Å; R94-L108 HydrophobicContact CB-CB 3.99Å; R94-L108 HydrophobicContact CG-CB 4.13Å; Q96-L108 HydrophobicContact CB-CD2 4.13Å; D106-L108 HydrophobicContact CB-CD2 4.21Å; D106-L108 HydrophobicContact CB-CG 4.38Å
109	L	98.7	Very high	98.3	Very high	30 Å²	30	59.8 Å²	59.8	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.1	179.5	-54.1	-177.8	0	0	0	110.9	R94 V95 L97 Q107 L134 V138	R94-L109 WeakPolarHBondContact CA-O 3.07Å; R94-L109 VanDerWaalsContact CD-O 3.27Å; R94-L109 WeakPolarHBondContact CD-O 3.22Å; V95-L109 HydrophobicContact CB-CB 4.41Å; V95-L109 PolarHBondContact N-O 2.75Å; V95-L109 WeakPolarHBondContact O-CB 3.45Å; V95-L109 PolarHBondContact O-N 3.08Å; L97-L109 HydrophobicContact CD1-CD1 3.87Å; L97-L109 HydrophobicContact CD2-CD1 4.13Å; L97-L109 HydrophobicContact CG-CD1 3.76Å; Q107-L109 PolarHBondContact O-N 2.83Å; L109-L134 HydrophobicContact CB-CD2 4.44Å; L109-L134 HydrophobicContact CD1-CD1 4.12Å; L109-V138 HydrophobicContact CD1-CG1 3.54Å
110	P	98.4	Very high	98.3	Very high	40 Å²	40	59 Å²	59	26%	0.26	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	150.8	172.4	29.9	-33	0	0	0	112.2	E135	P110-E135 HydrophobicContact CB-CB 4.27Å; P110-E135 VanDerWaalsContact CB-OE2 3.22Å; P110-E135 WeakPolarHBondContact CB-OE2 3.23Å; P110-E135 HydrophobicContact CG-CB 3.79Å; P110-E135 WeakPolarHBondContact CG-OE2 3.32Å; P110-E135 PolarHBondContact O-N 2.94Å; P110-E135 VanDerWaalsContact O-N 3.12Å
111	V	98.5	Very high	98.2	Very high	8 Å²	8	66.4 Å²	66.4	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.5	177.4	178.6	0	0	0	0	107.7	L90 L93 V95 R113 I114 L132 E133	L90-V111 HydrophobicContact CD2-CB 4.34Å; L90-V111 HydrophobicContact CD2-CG1 3.92Å; L93-V111 HydrophobicContact CD2-CB 4.47Å; L93-V111 HydrophobicContact CD2-CG1 4.42Å; L93-V111 HydrophobicContact CD2-CG2 4.17Å; L93-V111 HydrophobicContact CG-CG2 4.19Å; V95-V111 HydrophobicContact CG2-CG2 3.74Å; V111-R113 WeakPolarHBondContact CG1-O 3.3Å; V111-I114 HydrophobicContact CG1-CG1 4.27Å; V111-L132 HydrophobicContact CG1-CB 4.07Å; V111-E133 CarbonylContact C-O 3.52Å; V111-E133 WeakPolarHBondContact CA-O 3.41Å; V111-E133 WeakPolarHBondContact CG1-O 3.34Å
112	S	98	Very high	98.2	Very high	51 Å²	51	66.6 Å²	66.6	36%	0.357	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-27.9	179.5	57.6	0	0	0	0	112.4	L90 E133 L134	L90-S112 WeakPolarHBondContact CD1-O 3.35Å; S112-E133 PolarHBondContact N-O 3.24Å; S112-E133 PolarHBondContact OG-O 3.07Å; S112-L134 PolarHBondContact OG-O 2.81Å
113	R	98	Very high	98.1	Very high	98 Å²	98	66.9 Å²	66.9	37%	0.37	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	138.5	-178.1	-172.8	167.4	51.5	158	-7.3	112.3	V111 I115 L132 E133	V111-R113 WeakPolarHBondContact CG1-O 3.3Å; R113-I115 HydrophobicContact CG-CD1 4.34Å; R113-I115 HydrophobicContact CG-CG1 3.87Å; R113-L132 WeakPolarHBondContact O-CA 3.3Å; R113-E133 HydrophobicContact CB-CB 3.94Å; R113-E133 IonicContact CZ-OE2 3.18Å; R113-E133 PolarHBondContact N-O 2.75Å; R113-E133 IonicContact NE-OE2 2.7Å; R113-E133 PolarHBondContact NE-OE2 3.27Å; R113-E133 IonicContact NH2-OE1 3.11Å; R113-E133 PolarHBondContact NH2-OE1 3.06Å; R113-E133 IonicContact NH2-OE2 3.08Å; R113-E133 PolarHBondContact NH2-OE2 2.77Å; R113-E133 PolarHBondContact O-N 2.81Å
114	I	98.5	Very high	98.1	Very high	42 Å²	42	68.8 Å²	68.8	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.8	167.9	-64.5	162.7	0	0	0	107.7	V83 K88 L90 L93 V111 V116 L132	V83-I114 HydrophobicContact CB-CG2 4.01Å; V83-I114 HydrophobicContact CG2-CG2 3.74Å; K88-I114 HydrophobicContact CB-CD1 4.22Å; L90-I114 HydrophobicContact CD2-CD1 3.52Å; L90-I114 HydrophobicContact CD2-CG1 3.59Å; L90-I114 HydrophobicContact CG-CD1 4.5Å; L93-I114 HydrophobicContact CD2-CD1 3.8Å; L93-I114 HydrophobicContact CD2-CG1 4.1Å; V111-I114 HydrophobicContact CG1-CG1 4.27Å; I114-V116 HydrophobicContact CG2-CG2 4.03Å; I114-L132 HydrophobicContact CB-CD2 4.32Å; I114-L132 HydrophobicContact CG1-CD2 3.76Å; I114-L132 HydrophobicContact CG2-CD2 4.17Å
115	I	98.4	Very high	98	Very high	19 Å²	19	65.7 Å²	65.7	10%	0.097	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	99.7	176.3	-44.9	-177.7	0	0	0	108.3	W75 R113 A130 L131 W273 Y277	W75-I115 HydrophobicContact CH2-CD1 3.72Å; W75-I115 HydrophobicContact CZ3-CD1 3.74Å; W75-I115 HydrophobicContact CZ3-CG1 4.49Å; R113-I115 HydrophobicContact CG-CD1 4.34Å; R113-I115 HydrophobicContact CG-CG1 3.87Å; I115-A130 CarbonylContact O-C 3.52Å; I115-A130 VanDerWaalsContact O-CA 3.23Å; I115-A130 WeakPolarHBondContact O-CA 3.42Å; I115-A130 WeakPolarHBondContact O-CB 3.27Å; I115-L131 HydrophobicContact CB-CB 4.27Å; I115-L131 PolarHBondContact N-O 3.16Å; I115-L131 PolarHBondContact O-N 2.87Å; I115-W273 HydrophobicContact CG2-CZ2 3.92Å; I115-Y277 HydrophobicContact CD1-CD1 3.43Å; I115-Y277 VanDerWaalsContact CD1-CD1 3.43Å; I115-Y277 HydrophobicContact CD1-CD2 4.36Å; I115-Y277 HydrophobicContact CD1-CE1 3.75Å; I115-Y277 HydrophobicContact CD1-CG 3.76Å; I115-Y277 HydrophobicContact CG2-CD2 4.45Å; I115-Y277 HydrophobicContact CG2-CE1 4.13Å; I115-Y277 HydrophobicContact CG2-CE2 3.95Å
116	V	98.6	Very high	98.1	Very high	42 Å²	42	59.9 Å²	59.9	26%	0.255	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.4	172.9	175	0	0	0	0	109.1	A80 V83 I114 F120 A130	A80-V116 HydrophobicContact CB-CG1 3.77Å; V83-V116 HydrophobicContact CG2-CG2 3.94Å; I114-V116 HydrophobicContact CG2-CG2 4.03Å; V116-F120 HydrophobicContact CG1-CB 3.87Å; V116-F120 HydrophobicContact CG1-CD1 3.82Å; V116-F120 HydrophobicContact CG1-CG 4.18Å; V116-A130 HydrophobicContact CG2-CB 4.25Å
117	H	98.7	Very high	98.1	Very high	17 Å²	17	57.4 Å²	57.4	8%	0.079	29%	0.291	C	S	.	.			trans	-59.6	131.1	175.5	-168.2	-83.3	0	0	0	110.6	Q119 F120 A127 I129 Y270 W273	H117-Q119 PolarHBondContact CE1-OE1 3.3Å; H117-Q119 PolarHBondContact ND1-N 3.33Å; H117-Q119 PolarHBondContact O-N 3.05Å; H117-Q119 VanDerWaalsContact O-N 3.08Å; H117-F120 VanDerWaalsContact O-CB 3.23Å; H117-F120 WeakPolarHBondContact O-CB 3.32Å; H117-F120 PolarHBondContact O-N 2.94Å; H117-A127 HydrophobicContact CB-CB 4.37Å; H117-A127 WeakPolarHBondContact ND1-CB 3.33Å; H117-I129 HydrophobicContact CB-CG2 3.67Å; H117-I129 WeakPolarHBondContact CB-O 3.47Å; H117-I129 PolarHBondContact N-O 2.83Å; H117-I129 VanDerWaalsContact N-O 3.1Å; H117-Y270 AromaticContact CD2-CD1 3.61Å; H117-Y270 AromaticContact CD2-CE1 3.8Å; H117-Y270 AromaticContact CE1-CE1 3.79Å; H117-Y270 AromaticContact NE2-CD1 3.53Å; H117-Y270 AromaticContact NE2-CE1 3.53Å; H117-W273 HydrophobicContact CB-CZ2 4.16Å; H117-W273 AromaticContact CD2-CD1 3.61Å; H117-W273 AromaticContact CD2-CD2 3.57Å; H117-W273 AromaticContact CD2-CE2 3.68Å; H117-W273 AromaticContact CD2-CG 3.55Å; H117-W273 AromaticContact CD2-NE1 3.67Å; H117-W273 AromaticContact NE2-CD1 3.92Å; H117-W273 AromaticContact NE2-CG 3.96Å
118	P	97.9	Very high	98.2	Very high	110 Å²	110	50.4 Å²	50.4	71%	0.714	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.9	-170	25.6	-36	0	0	0	114.6
119	Q	98.3	Very high	98.2	Very high	132 Å²	132	48.2 Å²	48.2	62%	0.617	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-3.7	174.9	-64.1	179.8	-31.3	0	0	113.5	H117 A127	H117-Q119 PolarHBondContact CE1-OE1 3.3Å; H117-Q119 PolarHBondContact ND1-N 3.33Å; H117-Q119 PolarHBondContact O-N 3.05Å; H117-Q119 VanDerWaalsContact O-N 3.08Å; Q119-A127 HydrophobicContact CB-CB 3.75Å
120	F	98.4	Very high	98.2	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.079	24%	0.24	C	C	.	.			trans	-74.5	135.4	-179	179.5	-107.3	0	0	0	111.9	A80 H81 P85 V116 H117 A127 D128	A80-F120 HydrophobicContact CB-CB 3.98Å; A80-F120 HydrophobicContact CB-CD1 3.47Å; A80-F120 VanDerWaalsContact CB-CD1 3.47Å; A80-F120 HydrophobicContact CB-CD2 3.54Å; A80-F120 HydrophobicContact CB-CE1 3.77Å; A80-F120 HydrophobicContact CB-CE2 3.84Å; A80-F120 HydrophobicContact CB-CG 3.34Å; A80-F120 HydrophobicContact CB-CZ 3.96Å; H81-F120 VanDerWaalsContact CA-CZ 3.45Å; H81-F120 HydrophobicContact CB-CE1 4.44Å; H81-F120 HydrophobicContact CB-CE2 4.19Å; H81-F120 HydrophobicContact CB-CZ 3.55Å; P85-F120 HydrophobicContact CB-CD1 4.32Å; P85-F120 HydrophobicContact CB-CE1 4.26Å; V116-F120 HydrophobicContact CG1-CB 3.87Å; V116-F120 HydrophobicContact CG1-CD1 3.82Å; V116-F120 HydrophobicContact CG1-CG 4.18Å; H117-F120 VanDerWaalsContact O-CB 3.23Å; H117-F120 WeakPolarHBondContact O-CB 3.32Å; H117-F120 PolarHBondContact O-N 2.94Å; F120-A127 HydrophobicContact CB-CB 4.42Å; F120-A127 WeakPolarHBondContact CB-O 3.35Å; F120-D128 HydrophobicContact CD2-CB 4.07Å; F120-D128 HydrophobicContact CE2-CB 3.89Å; F120-D128 WeakPolarHBondContact CE2-OD1 3.3Å
121	Y	97.3	Very high	98.2	Very high	157 Å²	157	44.9 Å²	44.9	62%	0.616	23%	0.227	S	C	*	.	S	Bend	trans	-138.7	-50	165.4	-174.4	-111	0	0	0	111.1	P85 I125	P85-Y121 HydrophobicContact CB-CD2 4.45Å; P85-Y121 HydrophobicContact CG-CD2 4.44Å; Y121-I125 HydrophobicContact CD1-CD1 4.06Å
122	T	97.9	Very high	98.2	Very high	47 Å²	47	44.5 Å²	44.5	29%	0.288	23%	0.225	S	C	.	.			trans	-135.7	156.2	169.8	68.6	0	0	0	0	110.7	Q124 I125 G126	T122-Q124 VanDerWaalsContact C-N 3.26Å; T122-Q124 PolarHBondContact O-N 3.26Å; T122-I125 PolarHBondContact O-N 3.31Å; T122-I125 WeakPolarHBondContact OG1-CD1 3.49Å; T122-I125 WeakPolarHBondContact OG1-CG1 3.45Å; T122-I125 PolarHBondContact OG1-N 3.13Å; T122-G126 PolarHBondContact O-N 2.94Å
123	A	97.3	Very high	98.3	Very high	10 Å²	10	43.7 Å²	43.7	8%	0.083	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-37	180	0	0	0	0	0	112.6	I125 G126 D128 M216 W251	A123-I125 PolarHBondContact O-N 2.8Å; A123-G126 PolarHBondContact O-N 2.87Å; A123-G126 VanDerWaalsContact O-N 3.15Å; A123-D128 HydrophobicContact CB-CB 4.42Å; A123-M216 WeakPolarHBondContact O-CE 3.44Å; A123-W251 HydrophobicContact CB-CB 3.89Å; A123-W251 HydrophobicContact CB-CG 4.01Å; A123-W251 PolarHBondContact O-NE1 3.08Å
124	Q	97.1	Very high	98.3	Very high	103 Å²	103	39 Å²	39	48%	0.481	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.7	176.9	-53.6	82.1	-3.7	0	0	113.2	T122 R213 W251	T122-Q124 VanDerWaalsContact C-N 3.26Å; T122-Q124 PolarHBondContact O-N 3.26Å; Q124-R213 VanDerWaalsContact C-NH1 3.31Å; Q124-R213 VanDerWaalsContact O-CZ 3.24Å; Q124-R213 PolarHBondContact O-NH1 2.87Å; Q124-R213 PolarHBondContact O-NH2 3.45Å; Q124-W251 HydrophobicContact CB-CZ2 4.37Å; Q124-W251 HydrophobicContact CG-CD2 4.02Å; Q124-W251 HydrophobicContact CG-CE3 3.9Å; Q124-W251 HydrophobicContact CG-CH2 4.09Å; Q124-W251 HydrophobicContact CG-CZ2 4.2Å; Q124-W251 HydrophobicContact CG-CZ3 3.93Å
125	I	97.1	Very high	98.3	Very high	82 Å²	82	42.3 Å²	42.3	42%	0.421	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.2	169.2	-71	170.7	0	0	0	111.2	Y121 T122 A123 R213	Y121-I125 HydrophobicContact CD1-CD1 4.06Å; T122-I125 PolarHBondContact O-N 3.31Å; T122-I125 WeakPolarHBondContact OG1-CD1 3.49Å; T122-I125 WeakPolarHBondContact OG1-CG1 3.45Å; T122-I125 PolarHBondContact OG1-N 3.13Å; A123-I125 PolarHBondContact O-N 2.8Å; I125-R213 PolarHBondContact O-NE 3.19Å; I125-R213 PolarHBondContact O-NH1 3.45Å
126	G	98.3	Very high	98.3	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	102	-168.8	-179.1	0	0	0	0	0	112.2	T122 A123 D128 D215	T122-G126 PolarHBondContact O-N 2.94Å; A123-G126 PolarHBondContact O-N 2.87Å; A123-G126 VanDerWaalsContact O-N 3.15Å; G126-D128 PolarHBondContact O-N 3.12Å; G126-D128 VanDerWaalsContact O-N 3.15Å; G126-D215 WeakPolarHBondContact CA-OD2 3.38Å
127	A	98.7	Very high	98.2	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	25%	0.248	C	C	.	.			trans	54.2	28.2	-173.4	0	0	0	0	0	114.3	H117 Q119 F120 I129 D215 Y270	H117-A127 HydrophobicContact CB-CB 4.37Å; H117-A127 WeakPolarHBondContact ND1-CB 3.33Å; Q119-A127 HydrophobicContact CB-CB 3.75Å; F120-A127 HydrophobicContact CB-CB 4.42Å; F120-A127 WeakPolarHBondContact CB-O 3.35Å; A127-I129 PolarHBondContact O-N 3.26Å; A127-D215 PolarHBondContact N-OD2 2.81Å; A127-Y270 WeakPolarHBondContact CA-OH 3.39Å; A127-Y270 HydrophobicContact CB-CE1 4.34Å; A127-Y270 PolarHBondContact N-OH 2.74Å
128	D	98.9	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.			trans	-78.3	70.4	-179.1	-173.8	23.6	0	0	0	111.7	A80 H81 F120 A123 G126 S250 T265	A80-D128 WeakPolarHBondContact CA-OD1 3.08Å; A80-D128 WeakPolarHBondContact CB-OD1 3.29Å; A80-D128 PolarHBondContact N-OD1 2.87Å; H81-D128 IonicContact CE1-OD2 3.68Å; H81-D128 PolarHBondContact CE1-OD2 2.83Å; H81-D128 IonicContact CG-OD1 3.65Å; H81-D128 IonicContact CG-OD2 3.73Å; H81-D128 PolarHBondContact N-OD1 2.84Å; H81-D128 VanDerWaalsContact ND1-CG 3.33Å; H81-D128 IonicContact ND1-OD1 3.81Å; H81-D128 PolarHBondContact ND1-OD1 3.2Å; H81-D128 IonicContact ND1-OD2 3.71Å; H81-D128 PolarHBondContact ND1-OD2 2.91Å; F120-D128 HydrophobicContact CD2-CB 4.07Å; F120-D128 HydrophobicContact CE2-CB 3.89Å; F120-D128 WeakPolarHBondContact CE2-OD1 3.3Å; A123-D128 HydrophobicContact CB-CB 4.42Å; G126-D128 PolarHBondContact O-N 3.12Å; G126-D128 VanDerWaalsContact O-N 3.15Å; D128-S250 WeakPolarHBondContact CB-OG 3.31Å; D128-S250 WeakPolarHBondContact OD2-CA 2.97Å; D128-S250 WeakPolarHBondContact OD2-CB 3.26Å; D128-S250 PolarHBondContact OD2-OG 3.06Å; D128-T265 PolarHBondContact O-OG1 3.06Å
129	I	98.9	Very high	98.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.			trans	-147.1	137.4	-176.7	-159.6	169.5	0	0	0	110.7	L77 H117 A127 T265 Y270 W273 I274	L77-I129 HydrophobicContact CD1-CD1 3.87Å; L77-I129 HydrophobicContact CD1-CG1 3.64Å; H117-I129 HydrophobicContact CB-CG2 3.67Å; H117-I129 WeakPolarHBondContact CB-O 3.47Å; H117-I129 PolarHBondContact N-O 2.83Å; H117-I129 VanDerWaalsContact N-O 3.1Å; A127-I129 PolarHBondContact O-N 3.26Å; I129-T265 HydrophobicContact CB-CG2 4.16Å; I129-T265 HydrophobicContact CD1-CG2 4.43Å; I129-Y270 HydrophobicContact CD1-CD2 4.08Å; I129-Y270 HydrophobicContact CD1-CG 4.09Å; I129-Y270 HydrophobicContact CG2-CD1 4.1Å; I129-Y270 HydrophobicContact CG2-CD2 4.23Å; I129-Y270 HydrophobicContact CG2-CE1 4.47Å; I129-Y270 HydrophobicContact CG2-CG 3.98Å; I129-W273 HydrophobicContact CG1-CZ3 4.22Å; I129-W273 HydrophobicContact CG2-CE3 4.24Å; I129-W273 HydrophobicContact CG2-CH2 4.4Å; I129-W273 HydrophobicContact CG2-CZ3 3.95Å; I129-I274 HydrophobicContact CD1-CD1 4.15Å
130	A	98.9	Very high	98	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.8	177.8	0	0	0	0	0	111.7	T78 A80 V83 I115 V116	T78-A130 HydrophobicContact CG2-CB 4.08Å; T78-A130 PolarHBondContact N-O 3.17Å; T78-A130 PolarHBondContact O-N 3.24Å; A80-A130 HydrophobicContact CB-CB 4.37Å; V83-A130 HydrophobicContact CG2-CB 3.69Å; I115-A130 CarbonylContact O-C 3.52Å; I115-A130 VanDerWaalsContact O-CA 3.23Å; I115-A130 WeakPolarHBondContact O-CA 3.42Å; I115-A130 WeakPolarHBondContact O-CB 3.27Å; V116-A130 HydrophobicContact CG2-CB 4.25Å
131	L	98.9	Very high	97.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.1	173.3	-67.3	168.4	0	0	0	109.8	I71 W75 V76 L77 I115 W273 Y277 V278	I71-L131 HydrophobicContact CD1-CD2 3.8Å; W75-L131 HydrophobicContact CE3-CB 3.89Å; W75-L131 HydrophobicContact CE3-CD1 4.45Å; W75-L131 HydrophobicContact CZ3-CB 3.84Å; W75-L131 HydrophobicContact CZ3-CD1 4.29Å; V76-L131 WeakPolarHBondContact O-CA 3.31Å; L77-L131 HydrophobicContact CB-CD2 4.49Å; L77-L131 HydrophobicContact CD1-CD2 3.82Å; I115-L131 HydrophobicContact CB-CB 4.27Å; I115-L131 PolarHBondContact N-O 3.16Å; I115-L131 PolarHBondContact O-N 2.87Å; L131-W273 HydrophobicContact CB-CH2 4.3Å; L131-W273 HydrophobicContact CD1-CE3 4.4Å; L131-W273 HydrophobicContact CD1-CH2 3.83Å; L131-W273 HydrophobicContact CD1-CZ2 4.44Å; L131-W273 HydrophobicContact CD1-CZ3 3.81Å; L131-W273 HydrophobicContact CG-CH2 3.67Å; L131-W273 HydrophobicContact CG-CZ3 3.7Å; L131-Y277 HydrophobicContact CD1-CD2 3.85Å; L131-Y277 HydrophobicContact CD1-CG 4.22Å; L131-V278 HydrophobicContact CD1-CG2 3.92Å; L131-V278 HydrophobicContact CD2-CG2 3.94Å
132	L	98.8	Very high	97.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.2	169.4	-44.3	176.1	0	0	0	108.1	L55 W75 V76 T78 V83 L93 V95 V111 R113 I114	L55-L132 HydrophobicContact CD1-CD1 3.94Å; L55-L132 HydrophobicContact CD2-CD1 3.43Å; L55-L132 VanDerWaalsContact CD2-CD1 3.43Å; L55-L132 HydrophobicContact CG-CD1 4.36Å; W75-L132 WeakPolarHBondContact CA-O 3.45Å; V76-L132 HydrophobicContact CB-CB 4.18Å; V76-L132 HydrophobicContact CB-CD1 4.47Å; V76-L132 HydrophobicContact CG1-CD1 4.25Å; V76-L132 PolarHBondContact N-O 2.9Å; V76-L132 PolarHBondContact O-N 2.95Å; T78-L132 HydrophobicContact CG2-CD1 4.2Å; T78-L132 HydrophobicContact CG2-CD2 4.35Å; T78-L132 HydrophobicContact CG2-CG 4.06Å; V83-L132 HydrophobicContact CG1-CD2 4.22Å; V83-L132 HydrophobicContact CG2-CD2 4.47Å; L93-L132 HydrophobicContact CD2-CD1 4.35Å; L93-L132 HydrophobicContact CD2-CD2 4.2Å; V95-L132 HydrophobicContact CG2-CD1 4.11Å; V111-L132 HydrophobicContact CG1-CB 4.07Å; R113-L132 WeakPolarHBondContact O-CA 3.3Å; I114-L132 HydrophobicContact CB-CD2 4.32Å; I114-L132 HydrophobicContact CG1-CD2 3.76Å; I114-L132 HydrophobicContact CG2-CD2 4.17Å
133	E	98.8	Very high	97.8	Very high	35 Å²	35	49.5 Å²	49.5	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.7	169.7	-166.5	172.1	-146.6	0	0	108.7	Q74 W75 V111 S112 R113	Q74-E133 HydrophobicContact CG-CG 4.13Å; Q74-E133 WeakPolarHBondContact O-CA 3.48Å; W75-E133 HydrophobicContact CD2-CB 4.38Å; W75-E133 HydrophobicContact CD2-CG 4.37Å; W75-E133 HydrophobicContact CE3-CB 4.04Å; W75-E133 HydrophobicContact CH2-CB 4.01Å; W75-E133 HydrophobicContact CH2-CG 4.21Å; W75-E133 HydrophobicContact CZ2-CB 4.3Å; W75-E133 HydrophobicContact CZ2-CG 4.01Å; W75-E133 WeakPolarHBondContact CZ2-OE1 3.49Å; W75-E133 HydrophobicContact CZ3-CB 3.86Å; W75-E133 HydrophobicContact CZ3-CG 4.44Å; V111-E133 CarbonylContact C-O 3.52Å; V111-E133 WeakPolarHBondContact CA-O 3.41Å; V111-E133 WeakPolarHBondContact CG1-O 3.34Å; S112-E133 PolarHBondContact N-O 3.24Å; S112-E133 PolarHBondContact OG-O 3.07Å; R113-E133 HydrophobicContact CB-CB 3.94Å; R113-E133 IonicContact CZ-OE2 3.18Å; R113-E133 PolarHBondContact N-O 2.75Å; R113-E133 IonicContact NE-OE2 2.7Å; R113-E133 PolarHBondContact NE-OE2 3.27Å; R113-E133 IonicContact NH2-OE1 3.11Å; R113-E133 PolarHBondContact NH2-OE1 3.06Å; R113-E133 IonicContact NH2-OE2 3.08Å; R113-E133 PolarHBondContact NH2-OE2 2.77Å; R113-E133 PolarHBondContact O-N 2.81Å
134	L	98.8	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	148.8	174.2	-56.3	177.1	0	0	0	109.4	L70 Q74 V76 V95 L109 S112 E136 V138	L70-L134 HydrophobicContact CD1-CD1 4.4Å; Q74-L134 HydrophobicContact CG-CB 4.22Å; Q74-L134 VanDerWaalsContact CG-O 3.26Å; Q74-L134 WeakPolarHBondContact CG-O 3.35Å; Q74-L134 PolarHBondContact NE2-O 3.4Å; Q74-L134 PolarHBondContact O-N 2.72Å; V76-L134 HydrophobicContact CG2-CD2 4.37Å; V95-L134 HydrophobicContact CB-CD2 3.9Å; V95-L134 HydrophobicContact CG1-CD2 4.23Å; V95-L134 HydrophobicContact CG2-CD2 3.82Å; L109-L134 HydrophobicContact CB-CD2 4.44Å; L109-L134 HydrophobicContact CD1-CD1 4.12Å; S112-L134 PolarHBondContact OG-O 2.81Å; L134-E136 WeakPolarHBondContact CB-O 3.41Å; L134-E136 PolarHBondContact O-N 2.83Å; L134-V138 HydrophobicContact CD1-CG1 3.62Å
135	E	98.4	Very high	97.9	Very high	111 Å²	111	48.2 Å²	48.2	52%	0.519	27%	0.266	S	S	.	.	S	Bend	trans	-62.5	-36.7	175.5	-163.9	168.6	179	0	0	111.5	P110	P110-E135 HydrophobicContact CB-CB 4.27Å; P110-E135 VanDerWaalsContact CB-OE2 3.22Å; P110-E135 WeakPolarHBondContact CB-OE2 3.23Å; P110-E135 HydrophobicContact CG-CB 3.79Å; P110-E135 WeakPolarHBondContact CG-OE2 3.32Å; P110-E135 PolarHBondContact O-N 2.94Å; P110-E135 VanDerWaalsContact O-N 3.12Å
136	E	97.7	Very high	98	Very high	140 Å²	140	46.5 Å²	46.5	65%	0.654	26%	0.26	S	S	*	.	S	Bend	trans	-127.2	143.3	178	-67.1	-67.1	167.2	0	0	110.6	L134	L134-E136 WeakPolarHBondContact CB-O 3.41Å; L134-E136 PolarHBondContact O-N 2.83Å
137	P	98.1	Very high	98	Very high	67 Å²	67	46.5 Å²	46.5	44%	0.435	26%	0.259	S	S	.	.			trans	-68.6	143.4	173.9	30	-34.4	0	0	0	111.2	P73 Q74	P73-P137 HydrophobicContact CB-CB 4.17Å; P73-P137 CarbonylContact O-C 3.54Å; P73-P137 WeakPolarHBondContact O-CA 3.4Å; Q74-P137 HydrophobicContact CB-CB 4.27Å
138	V	97.8	Very high	98	Very high	16 Å²	16	49.7 Å²	49.7	10%	0.097	28%	0.278	C	S	.	.			trans	-86.4	141.6	178.5	-50.2	0	0	0	0	111.8	L70 P73 L97 L109 L134 V140	L70-V138 HydrophobicContact CD1-CG2 4.15Å; L70-V138 HydrophobicContact CD2-CG2 3.58Å; P73-V138 WeakPolarHBondContact O-CG2 3.4Å; P73-V138 PolarHBondContact O-N 2.92Å; L97-V138 HydrophobicContact CD1-CB 4.02Å; L97-V138 HydrophobicContact CD1-CG1 3.81Å; L97-V138 HydrophobicContact CD1-CG2 4.42Å; L97-V138 HydrophobicContact CD2-CG1 4.22Å; L97-V138 HydrophobicContact CG-CG1 4.49Å; L109-V138 HydrophobicContact CD1-CG1 3.54Å; L134-V138 HydrophobicContact CD1-CG1 3.62Å; V138-V140 PolarHBondContact O-N 3.49Å
139	N	96.6	Very high	98	Very high	155 Å²	155	51.2 Å²	51.2	83%	0.829	29%	0.286	S	S	*	.			trans	-76	111	172	-68.8	-42.4	0	0	0	109.9
140	V	96	Very high	97.9	Very high	85 Å²	85	51.5 Å²	51.5	52%	0.515	29%	0.288	S	S	.	.			trans	-69.2	146.2	178.1	-62.7	0	0	0	0	111.6	P73 V138 V144 H145	P73-V140 HydrophobicContact CG-CG1 4.34Å; V138-V140 PolarHBondContact O-N 3.49Å; V140-V144 CarbonylContact C-O 3.47Å; V140-V144 VanDerWaalsContact CA-O 3.28Å; V140-V144 WeakPolarHBondContact CA-O 3.15Å; V140-H145 HydrophobicContact CB-CB 4.32Å
141	S	96.6	Very high	97.9	Very high	62 Å²	62	54.7 Å²	54.7	43%	0.434	31%	0.309	S	S	.	.			trans	-149.2	-176.8	-177.1	69.5	0	0	0	0	110.6	H143 V144	S141-H143 PolarHBondContact O-N 3.05Å; S141-H143 PolarHBondContact OG-N 3.27Å; S141-V144 PolarHBondContact N-O 3.19Å; S141-V144 CarbonylContact O-C 3.58Å; S141-V144 VanDerWaalsContact O-O 3.09Å; S141-V144 PolarHBondContact OG-N 2.78Å; S141-V144 VanDerWaalsContact OG-N 3.12Å
142	S	95.7	Very high	97.8	Very high	116 Å²	116	58.4 Å²	58.4	81%	0.811	34%	0.34	S	S	*	.	S	Bend	trans	-66.4	-23.6	172.7	57	0	0	0	0	113.6
143	H	96.8	Very high	97.8	Very high	52 Å²	52	63.2 Å²	63.2	24%	0.241	37%	0.373	C	S	.	.	S	Bend	trans	-95.7	-27.3	179.6	-167.3	58.9	0	0	0	113.3	R46 P50 R98 S141	R46-H143 PolarHBondContact O-CE1 3.19Å; R46-H143 PolarHBondContact O-ND1 2.89Å; R46-H143 VanDerWaalsContact O-ND1 3.13Å; P50-H143 VanDerWaalsContact CA-O 3.26Å; P50-H143 WeakPolarHBondContact CA-O 3.43Å; P50-H143 WeakPolarHBondContact CB-O 3.15Å; R98-H143 PolarHBondContact O-NE2 3.06Å; S141-H143 PolarHBondContact O-N 3.05Å; S141-H143 PolarHBondContact OG-N 3.27Å
144	V	98.1	Very high	97.7	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.097	37%	0.373	C	S	.	.	S	Bend	trans	-131	110.4	-179.7	177.4	0	0	0	0	109.3	P50 L70 L97 R98 V140 S141	P50-V144 WeakPolarHBondContact O-CA 3.39Å; L70-V144 HydrophobicContact CD2-CG1 4.17Å; L97-V144 HydrophobicContact CB-CG1 4.26Å; L97-V144 HydrophobicContact CB-CG2 4.22Å; L97-V144 HydrophobicContact CD1-CG1 3.76Å; L97-V144 HydrophobicContact CD1-CG2 4.5Å; L97-V144 HydrophobicContact CD2-CG1 4.23Å; L97-V144 HydrophobicContact CG-CG1 4.3Å; R98-V144 HydrophobicContact CB-CG2 4.3Å; V140-V144 CarbonylContact C-O 3.47Å; V140-V144 VanDerWaalsContact CA-O 3.28Å; V140-V144 WeakPolarHBondContact CA-O 3.15Å; S141-V144 PolarHBondContact N-O 3.19Å; S141-V144 CarbonylContact O-C 3.58Å; S141-V144 VanDerWaalsContact O-O 3.09Å; S141-V144 PolarHBondContact OG-N 2.78Å; S141-V144 VanDerWaalsContact OG-N 3.12Å
145	H	98.1	Very high	97.7	Very high	70 Å²	70	67.6 Å²	67.6	32%	0.324	40%	0.401	S	S	.	.			trans	-155.6	169.7	174.1	69.4	74.1	0	0	0	110.8	P50 W51 V140	P50-H145 CarbonylContact C-O 3.58Å; P50-H145 WeakPolarHBondContact CG-CD2 3.06Å; P50-H145 WeakPolarHBondContact CG-CE1 3.44Å; P50-H145 WeakPolarHBondContact CG-NE2 3.31Å; P50-H145 PolarHBondContact O-N 2.89Å; W51-H145 WeakPolarHBondContact CA-O 3.43Å; W51-H145 VanDerWaalsContact CB-O 3.31Å; W51-H145 WeakPolarHBondContact CB-O 3.43Å; W51-H145 AromaticContact CE3-CE1 3.98Å; W51-H145 AromaticContact CZ3-CE1 3.88Å; W51-H145 PolarHBondContact N-O 2.88Å; V140-H145 HydrophobicContact CB-CB 4.32Å
146	T	98.5	Very high	97.7	Very high	45 Å²	45	62.6 Å²	62.6	28%	0.276	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-73.3	155	-173.2	61.4	0	0	0	0	112.9	L70	L70-T146 HydrophobicContact CD2-CG2 4.22Å; L70-T146 HydrophobicContact CG-CG2 4.19Å; L70-T146 CarbonylContact O-C 3.56Å; L70-T146 WeakPolarHBondContact O-CA 3.22Å
147	V	98.7	Very high	97.7	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-89.2	148.9	163.9	63.9	0	0	0	0	110.2	W51 L70 I71 V236 Q245	W51-V147 HydrophobicContact CB-CB 3.8Å; W51-V147 HydrophobicContact CB-CG1 4.22Å; W51-V147 HydrophobicContact CD2-CB 3.57Å; W51-V147 HydrophobicContact CD2-CG2 3.91Å; W51-V147 HydrophobicContact CE3-CB 3.92Å; W51-V147 HydrophobicContact CE3-CG2 4.27Å; W51-V147 HydrophobicContact CG-CB 3.53Å; W51-V147 HydrophobicContact CG-CG1 4.22Å; W51-V147 HydrophobicContact CG-CG2 4.23Å; W51-V147 HydrophobicContact CZ2-CG2 4.24Å; L70-V147 PolarHBondContact O-N 3.34Å; I71-V147 HydrophobicContact CG2-CG1 3.79Å; V147-V236 HydrophobicContact CG2-CG1 3.97Å; V147-Q245 HydrophobicContact CG1-CB 4.25Å; V147-Q245 HydrophobicContact CG2-CB 3.98Å
148	T	98.4	Very high	97.7	Very high	70 Å²	70	58.3 Å²	58.3	43%	0.429	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-82.9	130.3	176.8	-52.9	0	0	0	0	110.3	T242 L244 Q245	T148-T242 HydrophobicContact CG2-CG2 4.5Å; T148-L244 HydrophobicContact CG2-CD2 3.6Å; T148-L244 WeakPolarHBondContact O-CA 3.27Å; T148-Q245 PolarHBondContact O-N 3.34Å
149	L	98.6	Very high	97.7	Very high	32 Å²	32	61.3 Å²	61.3	17%	0.168	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-77.7	144.3	169.8	-63	178.8	0	0	0	110.3	I71 L77 V267 L271 I274	I71-L149 HydrophobicContact CD1-CD1 4.43Å; I71-L149 HydrophobicContact CG2-CD2 3.98Å; L77-L149 HydrophobicContact CD2-CD2 4.32Å; L149-V267 HydrophobicContact CD2-CG1 3.87Å; L149-L271 HydrophobicContact CB-CD2 4.03Å; L149-L271 HydrophobicContact CD1-CD2 4.34Å; L149-I274 HydrophobicContact CD1-CD1 4.45Å; L149-I274 HydrophobicContact CD1-CG2 3.78Å
150	P	98.4	Very high	97.7	Very high	7 Å²	7	55.9 Å²	55.9	5%	0.045	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-71.2	158.2	-178.8	28.2	-34.1	0	0	0	112.9	E154 F156 L244 Q245 V267 T268 L271	P150-E154 HydrophobicContact CB-CB 4.08Å; P150-E154 HydrophobicContact CB-CG 4.42Å; P150-F156 HydrophobicContact CB-CE2 4.08Å; P150-F156 HydrophobicContact CB-CZ 3.69Å; P150-F156 HydrophobicContact CG-CE2 4.08Å; P150-F156 HydrophobicContact CG-CZ 3.97Å; P150-L244 HydrophobicContact CB-CB 4.35Å; P150-L244 HydrophobicContact CB-CD1 4.21Å; P150-Q245 WeakPolarHBondContact CD-O 3.26Å; P150-V267 HydrophobicContact CG-CB 4.42Å; P150-V267 HydrophobicContact CG-CG1 4.06Å; P150-T268 HydrophobicContact CB-CG2 3.96Å; P150-T268 HydrophobicContact CG-CG2 3.56Å; P150-L271 VanDerWaalsContact O-CD1 3.25Å; P150-L271 WeakPolarHBondContact O-CD1 3.35Å
151	P	97.8	Very high	97.7	Very high	67 Å²	67	54.2 Å²	54.2	44%	0.435	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-67.1	150.6	161.2	31.7	-33.5	0	0	0	109.9	S153 E154 T268	P151-S153 PolarHBondContact O-N 2.68Å; P151-E154 HydrophobicContact CG-CB 4.14Å; P151-E154 WeakPolarHBondContact O-CB 3.44Å; P151-E154 PolarHBondContact O-N 3.23Å; P151-T268 WeakPolarHBondContact O-CG2 3.45Å
152	A	97.8	Very high	97.8	Very high	78 Å²	78	51.3 Å²	51.3	65%	0.645	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.7	-179.4	0	0	0	0	0	113.9	E154 L271	A152-E154 VanDerWaalsContact C-N 3.31Å; A152-L271 HydrophobicContact CB-CD1 4Å
153	S	97.8	Very high	97.9	Very high	101 Å²	101	48.5 Å²	48.5	71%	0.706	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.5	177.5	60.4	0	0	0	0	114.4	P151	P151-S153 PolarHBondContact O-N 2.68Å
154	E	98.3	Very high	98	Very high	32 Å²	32	46 Å²	46	15%	0.15	30%	0.296	C	S	.	.			trans	-75.2	129.9	-179.1	-175.3	54.5	-107.1	0	0	110.8	P150 P151 A152 F156 M160	P150-E154 HydrophobicContact CB-CB 4.08Å; P150-E154 HydrophobicContact CB-CG 4.42Å; P151-E154 HydrophobicContact CG-CB 4.14Å; P151-E154 WeakPolarHBondContact O-CB 3.44Å; P151-E154 PolarHBondContact O-N 3.23Å; A152-E154 VanDerWaalsContact C-N 3.31Å; E154-F156 HydrophobicContact CB-CE2 4.24Å; E154-F156 HydrophobicContact CB-CZ 4.31Å; E154-F156 HydrophobicContact CG-CD1 3.85Å; E154-F156 HydrophobicContact CG-CD2 3.94Å; E154-F156 HydrophobicContact CG-CE1 3.54Å; E154-F156 HydrophobicContact CG-CE2 3.64Å; E154-F156 HydrophobicContact CG-CG 4.07Å; E154-F156 HydrophobicContact CG-CZ 3.46Å; E154-F156 VanDerWaalsContact CG-CZ 3.46Å; E154-F156 PolarHBondContact OE1-N 3Å; E154-F156 VanDerWaalsContact OE1-N 3.13Å; E154-M160 WeakPolarHBondContact OE1-CE 3.32Å
155	T	97.6	Very high	98	Very high	95 Å²	95	45.2 Å²	45.2	58%	0.583	29%	0.291	S	S	*	.			trans	-107.5	-21.3	-173.1	58.2	0	0	0	0	113	R266	T155-R266 PolarHBondContact O-NH1 3.14Å
156	F	98.4	Very high	98.1	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.022	28%	0.276	C	S	.	.			trans	52.9	68.3	-174.5	-53.9	-77	0	0	0	113.2	P150 E154 M160 I189 L217 C237 V239 L244 A246 T268	P150-F156 HydrophobicContact CB-CE2 4.08Å; P150-F156 HydrophobicContact CB-CZ 3.69Å; P150-F156 HydrophobicContact CG-CE2 4.08Å; P150-F156 HydrophobicContact CG-CZ 3.97Å; E154-F156 HydrophobicContact CB-CE2 4.24Å; E154-F156 HydrophobicContact CB-CZ 4.31Å; E154-F156 HydrophobicContact CG-CD1 3.85Å; E154-F156 HydrophobicContact CG-CD2 3.94Å; E154-F156 HydrophobicContact CG-CE1 3.54Å; E154-F156 HydrophobicContact CG-CE2 3.64Å; E154-F156 HydrophobicContact CG-CG 4.07Å; E154-F156 HydrophobicContact CG-CZ 3.46Å; E154-F156 VanDerWaalsContact CG-CZ 3.46Å; E154-F156 PolarHBondContact OE1-N 3Å; E154-F156 VanDerWaalsContact OE1-N 3.13Å; F156-M160 HydrophobicContact CB-SD 4.29Å; F156-M160 HydrophobicContact CD1-SD 3.9Å; F156-I189 VanDerWaalsContact O-CG2 3.23Å; F156-I189 WeakPolarHBondContact O-CG2 3.46Å; F156-L217 HydrophobicContact CB-CD1 4.29Å; F156-L217 HydrophobicContact CD2-CD1 4.36Å; F156-C237 HydrophobicContact CD1-CB 3.75Å; F156-C237 HydrophobicContact CE1-CB 3.87Å; F156-V239 HydrophobicContact CE1-CG2 4.29Å; F156-L244 HydrophobicContact CE1-CB 4.21Å; F156-L244 HydrophobicContact CZ-CB 4.23Å; F156-A246 HydrophobicContact CB-CB 4.43Å; F156-A246 HydrophobicContact CD1-CB 3.63Å; F156-A246 HydrophobicContact CD2-CB 3.63Å; F156-A246 HydrophobicContact CE1-CB 3.59Å; F156-A246 VanDerWaalsContact CE2-CA 3.47Å; F156-A246 HydrophobicContact CE2-CB 3.59Å; F156-A246 HydrophobicContact CG-CB 3.63Å; F156-A246 VanDerWaalsContact CZ-CA 3.45Å; F156-A246 HydrophobicContact CZ-CB 3.53Å; F156-T268 HydrophobicContact CE2-CG2 4.27Å
157	P	98.3	Very high	98.1	Very high	58 Å²	58	40.1 Å²	40.1	38%	0.377	26%	0.264	S	S	.	.			trans	-71.1	164.9	-179.6	30.4	-37.5	0	0	0	113.5	M160	P157-M160 HydrophobicContact CG-CE 4.17Å; P157-M160 HydrophobicContact CG-CG 4.39Å; P157-M160 PolarHBondContact O-N 3.08Å
158	P	98.4	Very high	98	Very high	60 Å²	60	40 Å²	40	39%	0.39	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	147.6	169.3	-26	34.5	0	0	0	113.1	M160 E191	P158-M160 VanDerWaalsContact C-N 3.32Å; P158-E191 HydrophobicContact CG-CG 3.63Å
159	G	96.9	Very high	97.9	Very high	78 Å²	78	38.1 Å²	38.1	80%	0.804	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-13.7	-177.5	0	0	0	0	0	114.5
160	M	96	Very high	97.7	Very high	42 Å²	42	37 Å²	37	21%	0.207	25%	0.246	C	C	.	.			trans	-63.1	140.5	173.7	-81.7	-160.9	172.3	0	0	112.8	E154 F156 P157 P158 C162 V239	E154-M160 WeakPolarHBondContact OE1-CE 3.32Å; F156-M160 HydrophobicContact CB-SD 4.29Å; F156-M160 HydrophobicContact CD1-SD 3.9Å; P157-M160 HydrophobicContact CG-CE 4.17Å; P157-M160 HydrophobicContact CG-CG 4.39Å; P157-M160 PolarHBondContact O-N 3.08Å; P158-M160 VanDerWaalsContact C-N 3.32Å; M160-C162 PolarHBondContact O-N 3.48Å; M160-V239 HydrophobicContact CE-CG2 4.16Å; M160-V239 HydrophobicContact SD-CG2 4.23Å
161	P	95.7	Very high	97.5	Very high	50 Å²	50	40 Å²	40	33%	0.325	26%	0.261	S	S	.	.			trans	-79.1	90.7	177.1	32.2	-34	0	0	0	110.8	K238	P161-K238 HydrophobicContact CG-CB 4.21Å; P161-K238 PolarHBondContact O-N 2.82Å
162	C	98.6	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	148.6	180	-53	0	0	0	0	112.7	M160 K186 V187 I189 L235 V236 C237	M160-C162 PolarHBondContact O-N 3.48Å; C162-K186 WeakPolarHBondContact O-CA 3.27Å; C162-K186 WeakPolarHBondContact O-CG 3.27Å; C162-V187 PolarHBondContact O-N 3.4Å; C162-V187 VanDerWaalsContact O-N 3.14Å; C162-I189 HydrophobicContact CB-CD1 4.06Å; C162-I189 HydrophobicContact CB-CG1 4.15Å; C162-I189 WeakPolarHBondContact SG-CG1 3.4Å; C162-L235 HydrophobicContact CB-CD1 3.97Å; C162-V236 CarbonylContact C-O 3.55Å; C162-V236 VanDerWaalsContact CA-O 3.22Å; C162-V236 WeakPolarHBondContact CA-O 3.3Å; C162-C237 HydrophobicContact CB-CB 4.13Å; C162-C237 WeakPolarHBondContact CB-SG 3.46Å; C162-C237 WeakPolarHBondContact SG-CB 3.39Å; C162-C237 CovalentContact SG-SG 2.04Å; C162-C237 PolarHBondContact SG-SG 2.79Å
163	W	98.8	Very high	96.9	Very high	57 Å²	57	43 Å²	43	22%	0.216	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.4	-179.6	-67.1	78.5	0	0	0	110	W49 Q184 V185 K186 V236 W243	W49-W163 HydrophobicContact CH2-CB 3.77Å; W49-W163 HydrophobicContact CH2-CD2 4.27Å; W49-W163 AromaticContact CH2-CG 3.77Å; W49-W163 HydrophobicContact CH2-CG 3.77Å; W49-W163 HydrophobicContact CZ2-CB 4.16Å; W49-W163 HydrophobicContact CZ2-CD2 4.23Å; W49-W163 HydrophobicContact CZ2-CE3 4.41Å; W49-W163 HydrophobicContact CZ2-CG 4.14Å; W49-W163 HydrophobicContact CZ3-CB 4.46Å; W163-Q184 HydrophobicContact CE3-CB 3.95Å; W163-Q184 HydrophobicContact CE3-CG 4.07Å; W163-Q184 HydrophobicContact CZ3-CB 4.27Å; W163-Q184 HydrophobicContact CZ3-CG 3.89Å; W163-V185 VanDerWaalsContact CA-O 3.3Å; W163-V185 WeakPolarHBondContact CA-O 3.43Å; W163-K186 HydrophobicContact CD2-CB 3.9Å; W163-K186 HydrophobicContact CD2-CG 4.41Å; W163-K186 HydrophobicContact CE3-CB 3.99Å; W163-K186 HydrophobicContact CH2-CB 3.9Å; W163-K186 HydrophobicContact CZ2-CB 3.8Å; W163-K186 HydrophobicContact CZ2-CD 4.33Å; W163-K186 HydrophobicContact CZ2-CG 4.27Å; W163-K186 HydrophobicContact CZ3-CB 3.97Å; W163-V236 HydrophobicContact CB-CG2 4.33Å; W163-V236 PolarHBondContact N-O 2.84Å; W163-V236 PolarHBondContact O-N 3.46Å; W163-W243 AromaticContact CD1-CH2 3.61Å; W163-W243 AromaticContact CD1-CZ3 3.82Å; W163-W243 AromaticContact NE1-CH2 3.99Å
164	V	98.8	Very high	96.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.5	167.5	61.6	0	0	0	0	109.1	I38 Q184 V185 V187 L235 V249 Y264	I38-V164 HydrophobicContact CG2-CG1 4.4Å; V164-Q184 WeakPolarHBondContact O-CA 2.96Å; V164-V185 HydrophobicContact CG1-CG1 3.4Å; V164-V185 PolarHBondContact N-O 3.23Å; V164-V185 PolarHBondContact O-N 2.78Å; V164-V187 HydrophobicContact CG1-CG1 3.9Å; V164-V187 HydrophobicContact CG1-CG2 4.32Å; V164-L235 HydrophobicContact CB-CD1 4.25Å; V164-V249 HydrophobicContact CG2-CG2 3.53Å; V164-Y264 HydrophobicContact CB-CE1 4.31Å; V164-Y264 HydrophobicContact CG2-CE1 3.91Å
165	T	98.9	Very high	96.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.6	-173.7	53.3	0	0	0	0	111.6	W49 Q52 K183 Q184	W49-T165 HydrophobicContact CB-CG2 4.44Å; W49-T165 HydrophobicContact CD2-CG2 3.74Å; W49-T165 HydrophobicContact CG-CG2 3.67Å; W49-T165 HydrophobicContact CZ2-CG2 4.39Å; Q52-T165 PolarHBondContact OE1-O 3.32Å; Q52-T165 PolarHBondContact OE1-OG1 2.98Å; T165-K183 VanDerWaalsContact CA-O 3.27Å; T165-K183 WeakPolarHBondContact CA-O 3.33Å; T165-K183 WeakPolarHBondContact CB-O 3.39Å; T165-Q184 HydrophobicContact CG2-CB 3.78Å
166	G	98.6	Very high	96.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-177.9	-178.8	0	0	0	0	0	113.9	K183 D230	G166-K183 PolarHBondContact N-O 2.96Å; G166-K183 PolarHBondContact O-N 2.64Å; G166-K183 VanDerWaalsContact O-N 3.08Å; G166-D230 VanDerWaalsContact CA-OD1 3.32Å; G166-D230 WeakPolarHBondContact CA-OD1 3.44Å
167	W	98.6	Very high	96.5	Very high	8 Å²	8	50.1 Å²	50.1	3%	0.03	28%	0.275	C	S	.	.	S	Bend	trans	-120.2	18.2	177.1	-64.2	-86.4	0	0	0	112.2	Q52 H64 E99 L102 L176 F180 L182 D230	Q52-W167 HydrophobicContact CG-CE3 4.44Å; Q52-W167 HydrophobicContact CG-CH2 3.51Å; Q52-W167 HydrophobicContact CG-CZ2 4.46Å; Q52-W167 HydrophobicContact CG-CZ3 3.49Å; Q52-W167 VanDerWaalsContact CG-CZ3 3.49Å; H64-W167 AromaticContact CE1-CE3 3.93Å; E99-W167 WeakPolarHBondContact O-CZ2 3.47Å; L102-W167 HydrophobicContact CD1-CB 3.61Å; L102-W167 HydrophobicContact CD1-CD2 4.34Å; L102-W167 HydrophobicContact CD1-CG 3.7Å; L102-W167 HydrophobicContact CD2-CD2 3.79Å; L102-W167 HydrophobicContact CD2-CE3 4.19Å; L102-W167 HydrophobicContact CD2-CG 4.01Å; L102-W167 HydrophobicContact CD2-CZ2 4.29Å; L102-W167 HydrophobicContact CG-CB 4.23Å; L102-W167 HydrophobicContact CG-CD2 4.05Å; L102-W167 HydrophobicContact CG-CG 3.75Å; W167-L176 HydrophobicContact CB-CD2 3.91Å; W167-L176 HydrophobicContact CG-CD2 4.39Å; W167-L176 WeakPolarHBondContact O-CD2 3.39Å; W167-F180 PolarHBondContact NE1-O 2.87Å; W167-L182 HydrophobicContact CD2-CD1 3.89Å; W167-L182 HydrophobicContact CE3-CD1 4.13Å; W167-L182 HydrophobicContact CH2-CD1 4.07Å; W167-L182 HydrophobicContact CZ2-CB 3.88Å; W167-L182 HydrophobicContact CZ2-CD1 3.8Å; W167-L182 HydrophobicContact CZ2-CD2 4.45Å; W167-L182 HydrophobicContact CZ2-CG 4.24Å; W167-L182 HydrophobicContact CZ3-CD1 4.21Å; W167-L182 VanDerWaalsContact NE1-N 3.16Å; W167-D230 PolarHBondContact N-OD1 2.72Å
168	G	97.1	Very high	96.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-69.7	-174.4	177.1	0	0	0	0	0	113.5	Q228 D230	G168-Q228 CarbonylContact C-O 3.45Å; G168-Q228 WeakPolarHBondContact CA-O 3.4Å; G168-D230 VanDerWaalsContact CA-OD1 3.3Å; G168-D230 WeakPolarHBondContact CA-OD1 3.07Å; G168-D230 PolarHBondContact N-OD1 3.02Å
169	D	97.3	Very high	96.5	Very high	29 Å²	29	51.4 Å²	51.4	16%	0.155	28%	0.283	C	S	.	.			trans	-56.8	147.1	-179.4	-70.2	-5.7	0	0	0	111.8	E174 R175 C227 Q228	D169-E174 CarbonylContact C-O 3.47Å; D169-E174 VanDerWaalsContact CA-O 3.26Å; D169-E174 WeakPolarHBondContact CA-O 3.25Å; D169-E174 VanDerWaalsContact CB-O 3.3Å; D169-E174 WeakPolarHBondContact CB-O 3.24Å; D169-R175 WeakPolarHBondContact OD1-CA 3.24Å; D169-C227 HydrophobicContact CB-CB 4.14Å; D169-C227 WeakPolarHBondContact O-CB 3.5Å; D169-Q228 PolarHBondContact N-O 3.5Å
170	V	94.4	Very high	96.5	Very high	10 Å²	10	50 Å²	50	6%	0.061	26%	0.255	C	S	.	.	S	Bend	trans	-91.8	-17.9	-176.8	-63.6	0	0	0	0	113.6	G37 E174 L176 K183	G37-V170 CarbonylContact O-C 3.59Å; G37-V170 WeakPolarHBondContact O-CA 3.45Å; G37-V170 WeakPolarHBondContact O-CB 3.45Å; G37-V170 VanDerWaalsContact O-CG1 3.27Å; G37-V170 WeakPolarHBondContact O-CG1 3.38Å; V170-E174 HydrophobicContact CG2-CB 3.97Å; V170-E174 HydrophobicContact CG2-CG 3.57Å; V170-E174 WeakPolarHBondContact CG2-O 3.17Å; V170-E174 PolarHBondContact N-O 3.29Å; V170-L176 HydrophobicContact CG1-CB 4.46Å; V170-L176 HydrophobicContact CG1-CD1 3.88Å; V170-K183 HydrophobicContact CG1-CD 4.44Å
171	D	93.3	Very high	96.6	Very high	70 Å²	70	48.9 Å²	48.9	37%	0.374	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-158	177.9	168.7	-150.5	-33.7	0	0	0	107.8	D173 E174	D171-D173 PolarHBondContact O-N 2.84Å; D171-E174 HydrophobicContact CB-CB 4.05Å; D171-E174 PolarHBondContact O-N 3.3Å
172	N	89.9	Confident	96.8	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.251	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	122.2	175.2	-64.1	-94.8	0	0	0	110.2	E174 G254 C255 Q257	N172-E174 PolarHBondContact O-N 3.44Å; N172-E174 VanDerWaalsContact O-N 3.12Å; N172-G254 VanDerWaalsContact OD1-CA 3.28Å; N172-G254 WeakPolarHBondContact OD1-CA 3.29Å; N172-C255 PolarHBondContact ND2-O 3.14Å; N172-C255 PolarHBondContact OD1-N 3.22Å; N172-Q257 PolarHBondContact ND2-NE2 3.02Å
173	D	92.6	Very high	96.8	Very high	159 Å²	159	46.7 Å²	46.7	85%	0.85	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	15.3	-178.8	-54.5	-56.5	0	0	0	114.9	D171	D171-D173 PolarHBondContact O-N 2.84Å
174	E	95.4	Very high	96.8	Very high	108 Å²	108	44.5 Å²	44.5	51%	0.505	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-110.8	102.9	178.2	-166.5	-179.2	164.9	0	0	111	D169 V170 D171 N172	D169-E174 CarbonylContact C-O 3.47Å; D169-E174 VanDerWaalsContact CA-O 3.26Å; D169-E174 WeakPolarHBondContact CA-O 3.25Å; D169-E174 VanDerWaalsContact CB-O 3.3Å; D169-E174 WeakPolarHBondContact CB-O 3.24Å; V170-E174 HydrophobicContact CG2-CB 3.97Å; V170-E174 HydrophobicContact CG2-CG 3.57Å; V170-E174 WeakPolarHBondContact CG2-O 3.17Å; V170-E174 PolarHBondContact N-O 3.29Å; D171-E174 HydrophobicContact CB-CB 4.05Å; D171-E174 PolarHBondContact O-N 3.3Å; N172-E174 PolarHBondContact O-N 3.44Å; N172-E174 VanDerWaalsContact O-N 3.12Å
175	R	95.9	Very high	96.7	Very high	205 Å²	205	44.6 Å²	44.6	77%	0.774	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-67	149.7	-179.5	-68.5	-176.3	177.3	155.6	1	113	D169 P177	D169-R175 WeakPolarHBondContact OD1-CA 3.24Å; R175-P177 VanDerWaalsContact O-CD 3.26Å; R175-P177 WeakPolarHBondContact O-CD 3.23Å
176	L	96.7	Very high	96.7	Very high	11 Å²	11	49 Å²	49	6%	0.058	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-55.8	118.7	169.2	-179.5	60.7	0	0	0	111.5	W167 V170 F180 K183	W167-L176 HydrophobicContact CB-CD2 3.91Å; W167-L176 HydrophobicContact CG-CD2 4.39Å; W167-L176 WeakPolarHBondContact O-CD2 3.39Å; V170-L176 HydrophobicContact CG1-CB 4.46Å; V170-L176 HydrophobicContact CG1-CD1 3.88Å; L176-F180 HydrophobicContact CD2-CB 4.15Å; L176-F180 HydrophobicContact CG-CD1 4.45Å; L176-F180 VanDerWaalsContact O-CD1 3.29Å; L176-F180 WeakPolarHBondContact O-CD1 3.14Å; L176-F180 WeakPolarHBondContact O-CE1 3.48Å; L176-K183 HydrophobicContact CD1-CD 3.54Å; L176-K183 HydrophobicContact CD1-CG 4.4Å
177	P	97	Very high	96.7	Very high	59 Å²	59	49 Å²	49	38%	0.383	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-69.7	153.8	177.5	25.6	-35.9	0	0	0	112.8	R175 F180	R175-P177 VanDerWaalsContact O-CD 3.26Å; R175-P177 WeakPolarHBondContact O-CD 3.23Å; P177-F180 PolarHBondContact O-N 3.08Å
178	P	97.5	Very high	96.7	Very high	89 Å²	89	51.3 Å²	51.3	58%	0.578	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	141.5	163.9	-20.6	28.2	0	0	0	111.1	F180	P178-F180 VanDerWaalsContact C-N 3.32Å; P178-F180 VanDerWaalsContact CA-N 3.3Å; P178-F180 HydrophobicContact CB-CD2 4.44Å; P178-F180 HydrophobicContact CB-CE1 4.49Å; P178-F180 HydrophobicContact CB-CE2 3.97Å; P178-F180 HydrophobicContact CB-CZ 4.02Å; P178-F180 HydrophobicContact CG-CE1 3.97Å; P178-F180 HydrophobicContact CG-CE2 3.97Å; P178-F180 HydrophobicContact CG-CZ 3.52Å
179	P	97.7	Very high	96.8	Very high	56 Å²	56	51.8 Å²	51.8	36%	0.364	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.8	22.9	12.8	36.1	-36.9	0	0	0	114.3	H101 Y104	H101-P179 VanDerWaalsContact CB-O 3.3Å; H101-P179 WeakPolarHBondContact CB-O 3.29Å; H101-P179 PolarHBondContact CD2-O 3.1Å; H101-P179 VanDerWaalsContact CD2-O 3.27Å; Y104-P179 HydrophobicContact CE2-CB 3.87Å
180	F	98.1	Very high	96.8	Very high	50 Å²	50	52.3 Å²	52.3	22%	0.219	27%	0.268	C	S	.	.			trans	58.5	51.8	178.9	-41.8	-73.9	0	0	0	113.8	H101 L102 Y103 W167 L176 P177 P178	H101-F180 WeakPolarHBondContact CA-O 3.4Å; L102-F180 HydrophobicContact CB-CB 3.88Å; L102-F180 HydrophobicContact CD1-CB 4.18Å; L102-F180 HydrophobicContact CG-CB 4.21Å; L102-F180 PolarHBondContact N-O 2.84Å; Y103-F180 AromaticContact CD2-CD2 3.64Å; Y103-F180 HydrophobicContact CD2-CD2 3.64Å; Y103-F180 AromaticContact CD2-CE2 3.79Å; Y103-F180 HydrophobicContact CD2-CE2 3.79Å; Y103-F180 HydrophobicContact CD2-CG 4.35Å; Y103-F180 AromaticContact CE2-CD2 3.77Å; Y103-F180 HydrophobicContact CE2-CD2 3.77Å; Y103-F180 AromaticContact CE2-CE2 3.9Å; Y103-F180 HydrophobicContact CE2-CE2 3.9Å; Y103-F180 HydrophobicContact CE2-CG 4.08Å; Y103-F180 HydrophobicContact CE2-CZ 4.32Å; W167-F180 PolarHBondContact NE1-O 2.87Å; L176-F180 HydrophobicContact CD2-CB 4.15Å; L176-F180 HydrophobicContact CG-CD1 4.45Å; L176-F180 VanDerWaalsContact O-CD1 3.29Å; L176-F180 WeakPolarHBondContact O-CD1 3.14Å; L176-F180 WeakPolarHBondContact O-CE1 3.48Å; P177-F180 PolarHBondContact O-N 3.08Å; P178-F180 VanDerWaalsContact C-N 3.32Å; P178-F180 VanDerWaalsContact CA-N 3.3Å; P178-F180 HydrophobicContact CB-CD2 4.44Å; P178-F180 HydrophobicContact CB-CE1 4.49Å; P178-F180 HydrophobicContact CB-CE2 3.97Å; P178-F180 HydrophobicContact CB-CZ 4.02Å; P178-F180 HydrophobicContact CG-CE1 3.97Å; P178-F180 HydrophobicContact CG-CE2 3.97Å; P178-F180 HydrophobicContact CG-CZ 3.52Å
181	P	98.6	Very high	97	Very high	17 Å²	17	56.5 Å²	56.5	11%	0.11	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-66.9	145.1	-179	29.5	-35.3	0	0	0	111.4	E43 Q100 K183	E43-P181 HydrophobicContact CB-CB 4.47Å; E43-P181 HydrophobicContact CG-CB 3.85Å; Q100-P181 CarbonylContact O-C 3.6Å; Q100-P181 VanDerWaalsContact O-CA 3.31Å; Q100-P181 WeakPolarHBondContact O-CA 3.23Å; P181-K183 VanDerWaalsContact O-CG 3.24Å; P181-K183 WeakPolarHBondContact O-CG 3.4Å; P181-K183 PolarHBondContact O-N 2.88Å
182	L	98.8	Very high	97.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.			trans	-62.4	136.3	167.9	177.7	63.8	0	0	0	109.2	A44 W49 Q52 R98 Q100 W167	A44-L182 HydrophobicContact CB-CB 4.42Å; A44-L182 HydrophobicContact CB-CD2 4.15Å; A44-L182 HydrophobicContact CB-CG 4.01Å; A44-L182 WeakPolarHBondContact CB-O 3.14Å; A44-L182 PolarHBondContact N-O 2.85Å; W49-L182 HydrophobicContact CB-CD2 4.4Å; Q52-L182 HydrophobicContact CB-CD2 4.31Å; Q52-L182 HydrophobicContact CG-CD1 3.8Å; Q52-L182 HydrophobicContact CG-CD2 4.12Å; R98-L182 VanDerWaalsContact CZ-CD2 3.45Å; R98-L182 VanDerWaalsContact NE-CD2 3.26Å; Q100-L182 PolarHBondContact O-N 2.8Å; W167-L182 HydrophobicContact CD2-CD1 3.89Å; W167-L182 HydrophobicContact CE3-CD1 4.13Å; W167-L182 HydrophobicContact CH2-CD1 4.07Å; W167-L182 HydrophobicContact CZ2-CB 3.88Å; W167-L182 HydrophobicContact CZ2-CD1 3.8Å; W167-L182 HydrophobicContact CZ2-CD2 4.45Å; W167-L182 HydrophobicContact CZ2-CG 4.24Å; W167-L182 HydrophobicContact CZ3-CD1 4.21Å; W167-L182 VanDerWaalsContact NE1-N 3.16Å
183	K	98.4	Very high	97.7	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	159.3	-176.2	-54.7	-169.8	77.1	162.5	0	111.6	V36 I38 Q42 T165 G166 V170 L176 P181	V36-K183 VanDerWaalsContact O-CE 3.25Å; V36-K183 WeakPolarHBondContact O-CE 3.28Å; V36-K183 PolarHBondContact O-NZ 2.89Å; I38-K183 HydrophobicContact CB-CB 4.29Å; I38-K183 HydrophobicContact CD1-CB 4.44Å; I38-K183 HydrophobicContact CG1-CB 3.38Å; I38-K183 HydrophobicContact CG1-CD 4.34Å; I38-K183 HydrophobicContact CG1-CG 4.37Å; I38-K183 VanDerWaalsContact N-CE 3.34Å; Q42-K183 WeakPolarHBondContact O-CA 3.43Å; T165-K183 VanDerWaalsContact CA-O 3.27Å; T165-K183 WeakPolarHBondContact CA-O 3.33Å; T165-K183 WeakPolarHBondContact CB-O 3.39Å; G166-K183 PolarHBondContact N-O 2.96Å; G166-K183 PolarHBondContact O-N 2.64Å; G166-K183 VanDerWaalsContact O-N 3.08Å; V170-K183 HydrophobicContact CG1-CD 4.44Å; L176-K183 HydrophobicContact CD1-CD 3.54Å; L176-K183 HydrophobicContact CD1-CG 4.4Å; P181-K183 VanDerWaalsContact O-CG 3.24Å; P181-K183 WeakPolarHBondContact O-CG 3.4Å; P181-K183 PolarHBondContact O-N 2.88Å
184	Q	98.7	Very high	98	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.9	176.8	63.3	176.2	73.8	0	0	110.8	G41 Q42 A44 W49 W163 V164 T165	G41-Q184 WeakPolarHBondContact CA-O 3.05Å; Q42-Q184 HydrophobicContact CG-CG 4.21Å; Q42-Q184 PolarHBondContact N-O 2.96Å; Q42-Q184 PolarHBondContact O-N 3.19Å; A44-Q184 HydrophobicContact CB-CB 4.23Å; A44-Q184 HydrophobicContact CB-CG 4.09Å; W49-Q184 HydrophobicContact CZ2-CB 4.31Å; W163-Q184 HydrophobicContact CE3-CB 3.95Å; W163-Q184 HydrophobicContact CE3-CG 4.07Å; W163-Q184 HydrophobicContact CZ3-CB 4.27Å; W163-Q184 HydrophobicContact CZ3-CG 3.89Å; V164-Q184 WeakPolarHBondContact O-CA 2.96Å; T165-Q184 HydrophobicContact CG2-CB 3.78Å
185	V	98.2	Very high	98.1	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140	170.8	67.1	0	0	0	0	110.7	I38 W163 V164 V187 R224	I38-V185 HydrophobicContact CB-CG1 4.16Å; I38-V185 HydrophobicContact CG2-CB 4.24Å; I38-V185 HydrophobicContact CG2-CG1 3.41Å; I38-V185 VanDerWaalsContact CG2-CG1 3.41Å; W163-V185 VanDerWaalsContact CA-O 3.3Å; W163-V185 WeakPolarHBondContact CA-O 3.43Å; V164-V185 HydrophobicContact CG1-CG1 3.4Å; V164-V185 PolarHBondContact N-O 3.23Å; V164-V185 PolarHBondContact O-N 2.78Å; V185-V187 HydrophobicContact CG1-CG1 3.99Å; V185-V187 PolarHBondContact O-N 3.1Å; V185-R224 HydrophobicContact CG2-CB 3.75Å; V185-R224 HydrophobicContact CG2-CG 3.71Å
186	K	98.4	Very high	98.3	Very high	91 Å²	91	39.4 Å²	39.4	40%	0.396	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	108	175.5	-172.1	-174	179.2	-177.4	0	109.9	C162 W163 R224	C162-K186 WeakPolarHBondContact O-CA 3.27Å; C162-K186 WeakPolarHBondContact O-CG 3.27Å; W163-K186 HydrophobicContact CD2-CB 3.9Å; W163-K186 HydrophobicContact CD2-CG 4.41Å; W163-K186 HydrophobicContact CE3-CB 3.99Å; W163-K186 HydrophobicContact CH2-CB 3.9Å; W163-K186 HydrophobicContact CZ2-CB 3.8Å; W163-K186 HydrophobicContact CZ2-CD 4.33Å; W163-K186 HydrophobicContact CZ2-CG 4.27Å; W163-K186 HydrophobicContact CZ3-CB 3.97Å; K186-R224 WeakPolarHBondContact O-CD 3.2Å; K186-R224 PolarHBondContact O-NH1 2.89Å
187	V	98.3	Very high	98.4	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140	-178.4	-70.3	0	0	0	0	111.5	C162 V164 V185 A219 R224 L235	C162-V187 PolarHBondContact O-N 3.4Å; C162-V187 VanDerWaalsContact O-N 3.14Å; V164-V187 HydrophobicContact CG1-CG1 3.9Å; V164-V187 HydrophobicContact CG1-CG2 4.32Å; V185-V187 HydrophobicContact CG1-CG1 3.99Å; V185-V187 PolarHBondContact O-N 3.1Å; V187-A219 HydrophobicContact CB-CB 4.03Å; V187-A219 HydrophobicContact CG2-CB 3.68Å; V187-R224 HydrophobicContact CG1-CB 4.31Å; V187-L235 HydrophobicContact CG2-CD1 3.51Å
188	P	98.1	Very high	98.4	Very high	56 Å²	56	41.8 Å²	41.8	36%	0.364	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-76.6	134.4	169.8	31.8	-33	0	0	0	110.2	A219 G220 N221	P188-A219 CarbonylContact O-C 3.46Å; P188-A219 WeakPolarHBondContact O-CA 3.45Å; P188-G220 PolarHBondContact O-N 2.8Å; P188-N221 WeakPolarHBondContact CG-ND2 3.15Å
189	I	98.8	Very high	98.5	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.7	171.2	-58.5	-73.2	0	0	0	110	F156 C162 L217 A219 L235	F156-I189 VanDerWaalsContact O-CG2 3.23Å; F156-I189 WeakPolarHBondContact O-CG2 3.46Å; C162-I189 HydrophobicContact CB-CD1 4.06Å; C162-I189 HydrophobicContact CB-CG1 4.15Å; C162-I189 WeakPolarHBondContact SG-CG1 3.4Å; I189-L217 HydrophobicContact CD1-CD2 3.88Å; I189-A219 HydrophobicContact CD1-CB 3.97Å; I189-L235 HydrophobicContact CD1-CD2 3.99Å
190	M	98.6	Very high	98.5	Very high	40 Å²	40	35.5 Å²	35.5	20%	0.197	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.5	176.5	-172.3	175.3	-60.7	0	0	110.2	I194 C195 K198 C218 P261	M190-I194 HydrophobicContact CG-CB 4.05Å; M190-I194 HydrophobicContact CG-CG2 3.99Å; M190-I194 HydrophobicContact SD-CB 4.38Å; M190-I194 HydrophobicContact SD-CG2 3.88Å; M190-C195 HydrophobicContact CG-CB 4.14Å; M190-C195 HydrophobicContact SD-CB 3.89Å; M190-K198 HydrophobicContact CE-CD 3.94Å; M190-K198 HydrophobicContact SD-CD 3.78Å; M190-C218 HydrophobicContact CB-CB 4.09Å; M190-C218 PolarHBondContact N-O 3.11Å; M190-P261 HydrophobicContact CE-CG 3.83Å; M190-P261 HydrophobicContact SD-CG 3.85Å
191	E	98.6	Very high	98.5	Very high	98 Å²	98	37.5 Å²	37.5	46%	0.458	19%	0.194	S	C	.	.			trans	-63.4	141.4	174.5	-66.2	-179.9	-125.5	0	0	110.9	P158 H193 I194 C195	P158-E191 HydrophobicContact CG-CG 3.63Å; E191-H193 VanDerWaalsContact C-N 3.29Å; E191-H193 PolarHBondContact O-N 3.15Å; E191-H193 IonicContact OE2-CE1 2.64Å; E191-H193 PolarHBondContact OE2-CE1 3.43Å; E191-H193 IonicContact OE2-ND1 3.47Å; E191-I194 HydrophobicContact CB-CG1 4.26Å; E191-I194 PolarHBondContact O-N 2.9Å; E191-I194 VanDerWaalsContact O-N 3.1Å; E191-C195 PolarHBondContact O-N 2.85Å
192	N	98.7	Very high	98.4	Very high	18 Å²	18	40.7 Å²	40.7	10%	0.096	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-42.2	-174.2	-75.6	33.7	0	0	0	112.4	I194 C195 D196 V212 R213 M216 R266	N192-I194 PolarHBondContact O-N 3.09Å; N192-C195 WeakPolarHBondContact O-CB 3.4Å; N192-C195 PolarHBondContact O-N 3.22Å; N192-D196 VanDerWaalsContact O-CB 3.25Å; N192-D196 WeakPolarHBondContact O-CB 3.47Å; N192-D196 PolarHBondContact O-N 2.86Å; N192-V212 HydrophobicContact CB-CG1 4.2Å; N192-R213 PolarHBondContact ND2-O 2.83Å; N192-M216 PolarHBondContact ND2-O 2.72Å; N192-M216 PolarHBondContact OD1-O 3.39Å; N192-R266 PolarHBondContact OD1-NH2 3.38Å
193	H	98.5	Very high	98.2	Very high	113 Å²	113	42.4 Å²	42.4	52%	0.523	25%	0.245	S	C	.	.	H	α-helix	trans	-67.3	-34.6	-178.6	74.1	-89.9	0	0	0	112.9	E191 A197	E191-H193 VanDerWaalsContact C-N 3.29Å; E191-H193 PolarHBondContact O-N 3.15Å; E191-H193 IonicContact OE2-CE1 2.64Å; E191-H193 PolarHBondContact OE2-CE1 3.43Å; E191-H193 IonicContact OE2-ND1 3.47Å; H193-A197 WeakPolarHBondContact O-CB 3.49Å; H193-A197 PolarHBondContact O-N 2.03Å
194	I	98.6	Very high	98.1	Very high	77 Å²	77	53.7 Å²	53.7	40%	0.395	29%	0.289	S	S	.	.	H	α-helix	trans	-70.6	-40.6	174.5	-58.2	-61.4	0	0	0	110.4	M190 E191 N192 K198	M190-I194 HydrophobicContact CG-CB 4.05Å; M190-I194 HydrophobicContact CG-CG2 3.99Å; M190-I194 HydrophobicContact SD-CB 4.38Å; M190-I194 HydrophobicContact SD-CG2 3.88Å; E191-I194 HydrophobicContact CB-CG1 4.26Å; E191-I194 PolarHBondContact O-N 2.9Å; E191-I194 VanDerWaalsContact O-N 3.1Å; N192-I194 PolarHBondContact O-N 3.09Å; I194-K198 WeakPolarHBondContact O-CG 3.25Å; I194-K198 PolarHBondContact O-N 3.27Å
195	C	98.7	Very high	98	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-45.7	177.1	-172	0	0	0	0	111.6	M190 E191 N192 K198 Y199 V212 C218	M190-C195 HydrophobicContact CG-CB 4.14Å; M190-C195 HydrophobicContact SD-CB 3.89Å; E191-C195 PolarHBondContact O-N 2.85Å; N192-C195 WeakPolarHBondContact O-CB 3.4Å; N192-C195 PolarHBondContact O-N 3.22Å; C195-K198 WeakPolarHBondContact O-CB 3.34Å; C195-K198 PolarHBondContact O-N 2.82Å; C195-K198 VanDerWaalsContact O-N 3.1Å; C195-Y199 WeakPolarHBondContact O-CD2 3.31Å; C195-Y199 PolarHBondContact O-N 2.8Å; C195-V212 HydrophobicContact CB-CG2 4.35Å; C195-C218 HydrophobicContact CB-CB 3.49Å; C195-C218 VanDerWaalsContact CB-CB 3.49Å; C195-C218 WeakPolarHBondContact CB-SG 2.97Å; C195-C218 WeakPolarHBondContact SG-CB 3.44Å; C195-C218 CovalentContact SG-SG 2.03Å; C195-C218 PolarHBondContact SG-SG 2.98Å
196	D	98.8	Very high	97.9	Very high	22 Å²	22	57.5 Å²	57.5	12%	0.118	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-50.2	175.7	-169.2	69.1	0	0	0	111.1	N192 K198 Y199 H200 I211 V212	N192-D196 VanDerWaalsContact O-CB 3.25Å; N192-D196 WeakPolarHBondContact O-CB 3.47Å; N192-D196 PolarHBondContact O-N 2.86Å; D196-K198 PolarHBondContact O-N 3.31Å; D196-Y199 WeakPolarHBondContact O-CB 3.45Å; D196-Y199 PolarHBondContact O-N 2.89Å; D196-H200 PolarHBondContact O-N 2.55Å; D196-H200 VanDerWaalsContact O-N 3.14Å; D196-H200 PolarHBondContact O-ND1 2.82Å; D196-H200 IonicContact OD1-CE1 3.7Å; D196-H200 IonicContact OD2-CE1 3.63Å; D196-H200 PolarHBondContact OD2-CE1 3.22Å; D196-H200 IonicContact OD2-ND1 2.74Å; D196-I211 WeakPolarHBondContact OD1-CA 2.94Å; D196-I211 PolarHBondContact OD1-N 3.45Å; D196-V212 HydrophobicContact CB-CB 4.02Å; D196-V212 HydrophobicContact CB-CG2 4.2Å; D196-V212 PolarHBondContact OD1-N 3.1Å
197	A	98.6	Very high	97.6	Very high	54 Å²	54	59.7 Å²	59.7	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-34.5	175.4	0	0	0	0	0	112.6	H193 H200	H193-A197 WeakPolarHBondContact O-CB 3.49Å; H193-A197 PolarHBondContact O-N 2.03Å; A197-H200 PolarHBondContact O-N 2.79Å
198	K	98.6	Very high	97.5	Very high	65 Å²	65	66.6 Å²	66.6	28%	0.283	37%	0.373	S	S	.	.	H	α-helix	trans	-68.4	-40	174.3	-80	-175	171.7	-61.4	0	112.9	M190 I194 C195 D196 H200 L201 N259 R260 P261	M190-K198 HydrophobicContact CE-CD 3.94Å; M190-K198 HydrophobicContact SD-CD 3.78Å; I194-K198 WeakPolarHBondContact O-CG 3.25Å; I194-K198 PolarHBondContact O-N 3.27Å; C195-K198 WeakPolarHBondContact O-CB 3.34Å; C195-K198 PolarHBondContact O-N 2.82Å; C195-K198 VanDerWaalsContact O-N 3.1Å; D196-K198 PolarHBondContact O-N 3.31Å; K198-H200 PolarHBondContact O-N 3.47Å; K198-L201 WeakPolarHBondContact O-CB 3.33Å; K198-L201 PolarHBondContact O-N 3.25Å; K198-L201 VanDerWaalsContact O-N 3.11Å; K198-N259 CarbonylContact C-O 3.44Å; K198-N259 HydrophobicContact CB-CB 4.2Å; K198-N259 PolarHBondContact NZ-OD1 2.96Å; K198-R260 PolarHBondContact O-NH1 2.76Å; K198-P261 HydrophobicContact CD-CG 4.44Å
199	Y	98.4	Very high	97.4	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-30.7	176.6	-96.6	-96.7	0	0	0	112.5	C195 D196 L201 I211 V212 W251 E253 R260 P261 I263	C195-Y199 WeakPolarHBondContact O-CD2 3.31Å; C195-Y199 PolarHBondContact O-N 2.8Å; D196-Y199 WeakPolarHBondContact O-CB 3.45Å; D196-Y199 PolarHBondContact O-N 2.89Å; Y199-L201 VanDerWaalsContact C-N 3.31Å; Y199-L201 PolarHBondContact O-N 2.04Å; Y199-I211 HydrophobicContact CD1-CG2 3.94Å; Y199-I211 HydrophobicContact CG-CG2 4.18Å; Y199-V212 HydrophobicContact CD2-CG2 4.19Å; Y199-W251 HydrophobicContact CE1-CH2 4.11Å; Y199-W251 AromaticContact CE1-CZ3 3.83Å; Y199-W251 HydrophobicContact CE1-CZ3 3.83Å; Y199-E253 HydrophobicContact CE1-CB 4.3Å; Y199-E253 HydrophobicContact CE1-CG 4.03Å; Y199-E253 PolarHBondContact OH-N 2.77Å; Y199-R260 PolarHBondContact O-NH1 3.04Å; Y199-R260 PolarHBondContact O-NH2 2.8Å; Y199-P261 WeakPolarHBondContact CE2-O 3.36Å; Y199-P261 PolarHBondContact OH-O 3.01Å; Y199-I263 HydrophobicContact CD2-CD1 4.41Å; Y199-I263 HydrophobicContact CE1-CD1 4.07Å; Y199-I263 HydrophobicContact CE2-CD1 3.67Å; Y199-I263 HydrophobicContact CE2-CG1 4.09Å; Y199-I263 VanDerWaalsContact CZ-CD1 3.47Å; Y199-I263 WeakPolarHBondContact OH-CD1 3.48Å
200	H	98.4	Very high	97.4	Very high	13 Å²	13	72.1 Å²	72.1	6%	0.06	39%	0.394	C	S	.	.	H	α-helix	trans	-70.9	-22.5	174.1	-71.3	85.5	0	0	0	113.8	D196 A197 K198 G202 A203 G206 D207 V209	D196-H200 PolarHBondContact O-N 2.55Å; D196-H200 VanDerWaalsContact O-N 3.14Å; D196-H200 PolarHBondContact O-ND1 2.82Å; D196-H200 IonicContact OD1-CE1 3.7Å; D196-H200 IonicContact OD2-CE1 3.63Å; D196-H200 PolarHBondContact OD2-CE1 3.22Å; D196-H200 IonicContact OD2-ND1 2.74Å; A197-H200 PolarHBondContact O-N 2.79Å; K198-H200 PolarHBondContact O-N 3.47Å; H200-G202 PolarHBondContact O-N 2.71Å; H200-A203 PolarHBondContact O-N 3.19Å; H200-G206 PolarHBondContact NE2-O 3.09Å; H200-D207 IonicContact CD2-OD1 3.72Å; H200-D207 IonicContact CG-OD1 2.68Å; H200-V209 PolarHBondContact CE1-O 2.82Å; H200-V209 PolarHBondContact NE2-O 2.98Å; H200-V209 VanDerWaalsContact NE2-O 3.08Å
201	L	97.8	Very high	97.4	Very high	92 Å²	92	71.5 Å²	71.5	48%	0.482	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	115.7	178	-62.6	175.4	0	0	0	110.5	K198 Y199 A203 N259 R260	K198-L201 WeakPolarHBondContact O-CB 3.33Å; K198-L201 PolarHBondContact O-N 3.25Å; K198-L201 VanDerWaalsContact O-N 3.11Å; Y199-L201 VanDerWaalsContact C-N 3.31Å; Y199-L201 PolarHBondContact O-N 2.04Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-N259 HydrophobicContact CB-CB 4.45Å; L201-N259 HydrophobicContact CD1-CB 4.2Å; L201-R260 PolarHBondContact O-NH1 3.18Å; L201-R260 VanDerWaalsContact O-NH1 3.07Å; L201-R260 PolarHBondContact O-NH2 3.1Å
202	G	95.4	Very high	97.4	Very high	84 Å²	84	66.8 Å²	66.8	87%	0.866	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	11.6	-178.5	0	0	0	0	0	114.6	H200	H200-G202 PolarHBondContact O-N 2.71Å
203	A	96.3	Very high	97.4	Very high	36 Å²	36	69.9 Å²	69.9	30%	0.298	38%	0.38	S	S	.	.			trans	-98.1	158.1	174.4	0	0	0	0	0	111.5	H200 L201	H200-A203 PolarHBondContact O-N 3.19Å; L201-A203 VanDerWaalsContact C-N 3.31Å
204	Y	96.1	Very high	97.4	Very high	241 Å²	241	68.8 Å²	68.8	95%	0.945	38%	0.378	S	S	*	.	S	Bend	trans	-88.1	-10.6	171.4	-62.7	-72.2	0	0	0	113.1	G206	Y204-G206 PolarHBondContact O-N 3.37Å
205	T	95.7	Very high	97.4	Very high	60 Å²	60	65.7 Å²	65.7	37%	0.368	36%	0.362	S	S	.	.	S	Bend	trans	-61.5	129.9	176.1	-50.4	0	0	0	0	109.4	V209 I211	T205-V209 HydrophobicContact CG2-CB 3.78Å; T205-V209 HydrophobicContact CG2-CG1 3.92Å; T205-I211 HydrophobicContact CG2-CD1 4.15Å; T205-I211 HydrophobicContact CG2-CG1 4.18Å
206	G	95.4	Very high	97.4	Very high	35 Å²	35	65.9 Å²	65.9	36%	0.361	36%	0.363	S	S	.	.			trans	-66.2	143.2	176.6	0	0	0	0	0	111.4	H200 Y204 D208 V209	H200-G206 PolarHBondContact NE2-O 3.09Å; Y204-G206 PolarHBondContact O-N 3.37Å; G206-D208 PolarHBondContact O-N 2.96Å; G206-V209 WeakPolarHBondContact O-CB 3.47Å; G206-V209 PolarHBondContact O-N 3.23Å
207	D	93.9	Very high	97.4	Very high	137 Å²	137	64.9 Å²	64.9	73%	0.733	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.4	-176.1	-63.2	-36.9	0	0	0	114.1	H200	H200-D207 IonicContact CD2-OD1 3.72Å; H200-D207 IonicContact CG-OD1 2.68Å
208	D	95.3	Very high	97.4	Very high	147 Å²	147	62.3 Å²	62.3	79%	0.786	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.7	174.5	63.8	-51.1	0	0	0	113.4	G206	G206-D208 PolarHBondContact O-N 2.96Å
209	V	97.1	Very high	97.4	Very high	78 Å²	78	59.2 Å²	59.2	47%	0.473	32%	0.323	S	S	.	.	S	Bend	trans	-95.4	99.5	-179.7	-178	0	0	0	0	110.1	H200 T205 G206 I211	H200-V209 PolarHBondContact CE1-O 2.82Å; H200-V209 PolarHBondContact NE2-O 2.98Å; H200-V209 VanDerWaalsContact NE2-O 3.08Å; T205-V209 HydrophobicContact CG2-CB 3.78Å; T205-V209 HydrophobicContact CG2-CG1 3.92Å; G206-V209 WeakPolarHBondContact O-CB 3.47Å; G206-V209 PolarHBondContact O-N 3.23Å; V209-I211 PolarHBondContact O-N 3.08Å
210	R	97.7	Very high	97.4	Very high	105 Å²	105	59.3 Å²	59.3	40%	0.396	32%	0.324	S	S	.	.			trans	-60.9	124.5	-177.5	-164.7	169.3	-170.5	-177.2	1.6	113.3	V212 D214	R210-V212 WeakPolarHBondContact CG-O 3.42Å; R210-V212 PolarHBondContact NE-O 3.42Å; R210-D214 IonicContact CZ-OD1 3.77Å; R210-D214 IonicContact CZ-OD2 3.83Å; R210-D214 IonicContact NH1-OD1 3.19Å; R210-D214 PolarHBondContact NH1-OD1 3Å; R210-D214 IonicContact NH1-OD2 2.71Å; R210-D214 PolarHBondContact NH1-OD2 2.88Å; R210-D214 IonicContact NH2-OD1 3.34Å; R210-D214 PolarHBondContact NH2-OD1 2.93Å
211	I	98.4	Very high	97.3	Very high	26 Å²	26	60.9 Å²	60.9	13%	0.133	33%	0.333	C	S	.	.	S	Bend	trans	-94.3	-48.1	176.8	-61.8	173	0	0	0	109.9	D196 Y199 T205 V209 W251	D196-I211 WeakPolarHBondContact OD1-CA 2.94Å; D196-I211 PolarHBondContact OD1-N 3.45Å; Y199-I211 HydrophobicContact CD1-CG2 3.94Å; Y199-I211 HydrophobicContact CG-CG2 4.18Å; T205-I211 HydrophobicContact CG2-CD1 4.15Å; T205-I211 HydrophobicContact CG2-CG1 4.18Å; V209-I211 PolarHBondContact O-N 3.08Å; I211-W251 HydrophobicContact CG2-CH2 3.78Å; I211-W251 HydrophobicContact CG2-CZ2 4.46Å
212	V	98.7	Very high	97.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-94.3	102.4	178.5	-175.9	0	0	0	0	109.5	N192 C195 D196 Y199 R210 M216 I263	N192-V212 HydrophobicContact CB-CG1 4.2Å; C195-V212 HydrophobicContact CB-CG2 4.35Å; D196-V212 HydrophobicContact CB-CB 4.02Å; D196-V212 HydrophobicContact CB-CG2 4.2Å; D196-V212 PolarHBondContact OD1-N 3.1Å; Y199-V212 HydrophobicContact CD2-CG2 4.19Å; R210-V212 WeakPolarHBondContact CG-O 3.42Å; R210-V212 PolarHBondContact NE-O 3.42Å; V212-M216 HydrophobicContact CG1-CB 4.2Å; V212-I263 HydrophobicContact CG2-CD1 3.96Å
213	R	98.6	Very high	97.1	Very high	82 Å²	82	63.9 Å²	63.9	31%	0.309	32%	0.319	S	S	.	.			trans	-76.9	171.8	-177.5	-68.1	-162.7	-165.6	72	6.7	113.7	Q124 I125 N192 D215 M216	Q124-R213 VanDerWaalsContact C-NH1 3.31Å; Q124-R213 VanDerWaalsContact O-CZ 3.24Å; Q124-R213 PolarHBondContact O-NH1 2.87Å; Q124-R213 PolarHBondContact O-NH2 3.45Å; I125-R213 PolarHBondContact O-NE 3.19Å; I125-R213 PolarHBondContact O-NH1 3.45Å; N192-R213 PolarHBondContact ND2-O 2.83Å; R213-D215 VanDerWaalsContact C-N 3.34Å; R213-D215 WeakPolarHBondContact CB-OD1 3Å; R213-M216 HydrophobicContact CB-CE 4.27Å; R213-M216 HydrophobicContact CB-CG 4.3Å; R213-M216 HydrophobicContact CB-SD 4.13Å; R213-M216 HydrophobicContact CG-CE 4.47Å; R213-M216 PolarHBondContact N-SD 3.03Å; R213-M216 WeakPolarHBondContact O-CB 3.26Å; R213-M216 PolarHBondContact O-N 2.81Å
214	D	98.6	Very high	97.1	Very high	91 Å²	91	67.1 Å²	67.1	49%	0.487	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.6	-178.1	-70.4	-41.3	0	0	0	113.6	R210 M216 R266 Y269	R210-D214 IonicContact CZ-OD1 3.77Å; R210-D214 IonicContact CZ-OD2 3.83Å; R210-D214 IonicContact NH1-OD1 3.19Å; R210-D214 PolarHBondContact NH1-OD1 3Å; R210-D214 IonicContact NH1-OD2 2.71Å; R210-D214 PolarHBondContact NH1-OD2 2.88Å; R210-D214 IonicContact NH2-OD1 3.34Å; R210-D214 PolarHBondContact NH2-OD1 2.93Å; D214-M216 PolarHBondContact O-N 3.28Å; D214-R266 PolarHBondContact O-NE 3.48Å; D214-Y269 HydrophobicContact CB-CE2 4.22Å
215	D	98.8	Very high	97.2	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.064	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	3	173.4	70.1	-48	0	0	0	113	G126 A127 R213 R266 Y269 Y270	G126-D215 WeakPolarHBondContact CA-OD2 3.38Å; A127-D215 PolarHBondContact N-OD2 2.81Å; R213-D215 VanDerWaalsContact C-N 3.34Å; R213-D215 WeakPolarHBondContact CB-OD1 3Å; D215-R266 VanDerWaalsContact O-CB 3.32Å; D215-R266 WeakPolarHBondContact O-CB 3.37Å; D215-R266 PolarHBondContact O-N 3.45Å; D215-Y269 HydrophobicContact CB-CD1 3.75Å; D215-Y269 HydrophobicContact CB-CD2 4.04Å; D215-Y269 HydrophobicContact CB-CE1 3.97Å; D215-Y269 HydrophobicContact CB-CE2 4.24Å; D215-Y269 HydrophobicContact CB-CG 3.8Å; D215-Y270 HydrophobicContact CB-CE2 3.86Å; D215-Y270 VanDerWaalsContact CB-OH 3.24Å; D215-Y270 WeakPolarHBondContact CB-OH 3.47Å; D215-Y270 PolarHBondContact OD2-OH 3.39Å
216	M	98.9	Very high	97.2	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	163.1	178.8	-58	176.4	-179.5	0	0	111.9	A123 N192 V212 R213 D214 W251 I263 Y264 R266	A123-M216 WeakPolarHBondContact O-CE 3.44Å; N192-M216 PolarHBondContact ND2-O 2.72Å; N192-M216 PolarHBondContact OD1-O 3.39Å; V212-M216 HydrophobicContact CG1-CB 4.2Å; R213-M216 HydrophobicContact CB-CE 4.27Å; R213-M216 HydrophobicContact CB-CG 4.3Å; R213-M216 HydrophobicContact CB-SD 4.13Å; R213-M216 HydrophobicContact CG-CE 4.47Å; R213-M216 PolarHBondContact N-SD 3.03Å; R213-M216 WeakPolarHBondContact O-CB 3.26Å; R213-M216 PolarHBondContact O-N 2.81Å; D214-M216 PolarHBondContact O-N 3.28Å; M216-W251 HydrophobicContact CE-CZ2 4.48Å; M216-W251 HydrophobicContact SD-CZ2 4.19Å; M216-I263 HydrophobicContact CB-CG2 3.79Å; M216-I263 HydrophobicContact CG-CG2 4Å; M216-I263 HydrophobicContact SD-CG2 3.81Å; M216-Y264 CarbonylContact C-O 3.52Å; M216-Y264 VanDerWaalsContact CA-O 3.28Å; M216-Y264 WeakPolarHBondContact CA-O 3.03Å; M216-R266 PolarHBondContact O-NE 2.78Å; M216-R266 VanDerWaalsContact O-NE 3.08Å; M216-R266 PolarHBondContact O-NH2 3.03Å
217	L	98.9	Very high	97.3	Very high	2 Å²	2	52 Å²	52	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.9	177.7	178.9	156.1	0	0	0	108.9	F156 I189 L235 A246 Y264 R266	F156-L217 HydrophobicContact CB-CD1 4.29Å; F156-L217 HydrophobicContact CD2-CD1 4.36Å; I189-L217 HydrophobicContact CD1-CD2 3.88Å; L217-L235 HydrophobicContact CD2-CD2 3.4Å; L217-L235 VanDerWaalsContact CD2-CD2 3.4Å; L217-A246 HydrophobicContact CD1-CB 4.23Å; L217-Y264 HydrophobicContact CD2-CD2 4.43Å; L217-Y264 PolarHBondContact N-O 3.41Å; L217-Y264 PolarHBondContact O-N 3.14Å; L217-R266 HydrophobicContact CB-CB 4.33Å
218	C	98.8	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.2	179.5	-70.6	0	0	0	0	113.3	M190 C195 G262	M190-C218 HydrophobicContact CB-CB 4.09Å; M190-C218 PolarHBondContact N-O 3.11Å; C195-C218 HydrophobicContact CB-CB 3.49Å; C195-C218 VanDerWaalsContact CB-CB 3.49Å; C195-C218 WeakPolarHBondContact CB-SG 2.97Å; C195-C218 WeakPolarHBondContact SG-CB 3.44Å; C195-C218 CovalentContact SG-SG 2.03Å; C195-C218 PolarHBondContact SG-SG 2.98Å; C218-G262 WeakPolarHBondContact CA-O 3.08Å
219	A	98.7	Very high	97.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.9	170.3	0	0	0	0	0	111.2	V187 P188 I189 L235 G262 Y264	V187-A219 HydrophobicContact CB-CB 4.03Å; V187-A219 HydrophobicContact CG2-CB 3.68Å; P188-A219 CarbonylContact O-C 3.46Å; P188-A219 WeakPolarHBondContact O-CA 3.45Å; I189-A219 HydrophobicContact CD1-CB 3.97Å; A219-L235 HydrophobicContact CB-CD2 4.16Å; A219-G262 PolarHBondContact N-O 2.88Å; A219-G262 WeakPolarHBondContact O-CA 3.43Å; A219-G262 PolarHBondContact O-N 2.92Å; A219-G262 VanDerWaalsContact O-N 3.08Å; A219-Y264 HydrophobicContact CB-CD2 4.26Å; A219-Y264 HydrophobicContact CB-CE2 3.75Å
220	G	98.1	Very high	97.5	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	19%	0.185	C	C	.	.			trans	120.1	175.6	173.8	0	0	0	0	0	114.5	P188 R224	P188-G220 PolarHBondContact O-N 2.8Å; G220-R224 CarbonylContact C-O 3.44Å; G220-R224 WeakPolarHBondContact CA-O 3.42Å
221	N	96.6	Very high	97.6	Very high	46 Å²	46	35.9 Å²	35.9	25%	0.246	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-159.3	-176.5	175	61.3	60.6	0	0	0	109.9	P188 R223 R224	P188-N221 WeakPolarHBondContact CG-ND2 3.15Å; N221-R223 PolarHBondContact O-N 3.18Å; N221-R223 WeakPolarHBondContact OD1-CA 3.49Å; N221-R223 PolarHBondContact OD1-N 3.08Å; N221-R224 PolarHBondContact N-O 3Å; N221-R224 CarbonylContact O-C 3.46Å; N221-R224 PolarHBondContact O-N 3.23Å; N221-R224 PolarHBondContact OD1-N 3.33Å
222	T	94.9	Very high	97.6	Very high	70 Å²	70	34.7 Å²	34.7	43%	0.429	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	0.2	-176.9	57.3	0	0	0	0	116.6	A256 P258	T222-A256 VanDerWaalsContact CA-O 3.24Å; T222-A256 WeakPolarHBondContact CA-O 3.38Å; T222-P258 HydrophobicContact CG2-CB 4.36Å; T222-P258 HydrophobicContact CG2-CG 4.24Å
223	R	93.9	Very high	97.6	Very high	168 Å²	168	34.7 Å²	34.7	63%	0.634	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.1	-7.2	177	-60.6	-177.9	-67.6	-89.9	-0.1	113	V39 G40 N221	V39-R223 CarbonylContact C-O 3.55Å; V39-R223 CarbonylContact O-C 3.35Å; G40-R223 VanDerWaalsContact CA-O 3.27Å; G40-R223 WeakPolarHBondContact CA-O 3.43Å; N221-R223 PolarHBondContact O-N 3.18Å; N221-R223 WeakPolarHBondContact OD1-CA 3.49Å; N221-R223 PolarHBondContact OD1-N 3.08Å
224	R	96.3	Very high	97.6	Very high	104 Å²	104	30.8 Å²	30.8	39%	0.392	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-150	103.5	-168.5	-64.9	-164.4	-172.3	164.5	0.5	109.3	V39 V185 K186 V187 G220 N221	V39-R224 WeakPolarHBondContact O-CA 3.49Å; V185-R224 HydrophobicContact CG2-CB 3.75Å; V185-R224 HydrophobicContact CG2-CG 3.71Å; K186-R224 WeakPolarHBondContact O-CD 3.2Å; K186-R224 PolarHBondContact O-NH1 2.89Å; V187-R224 HydrophobicContact CG1-CB 4.31Å; G220-R224 CarbonylContact C-O 3.44Å; G220-R224 WeakPolarHBondContact CA-O 3.42Å; N221-R224 PolarHBondContact N-O 3Å; N221-R224 CarbonylContact O-C 3.46Å; N221-R224 PolarHBondContact O-N 3.23Å; N221-R224 PolarHBondContact OD1-N 3.33Å
225	D	97.1	Very high	97.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.011	13%	0.128	C	C	.	.			trans	-158	160.2	-177.5	-154.4	3.5	0	0	0	111.8	I38 V39 A256 G262	I38-D225 WeakPolarHBondContact CG2-O 3.39Å; V39-D225 HydrophobicContact CB-CB 4.45Å; V39-D225 PolarHBondContact N-O 3.05Å; V39-D225 PolarHBondContact O-N 3.42Å; D225-A256 HydrophobicContact CB-CB 3.82Å; D225-A256 WeakPolarHBondContact OD2-CA 3.33Å; D225-A256 PolarHBondContact OD2-N 3.18Å; D225-G262 WeakPolarHBondContact OD1-CA 3.37Å; D225-G262 PolarHBondContact OD1-N 2.97Å
226	S	96.2	Very high	97.6	Very high	10 Å²	10	25.9 Å²	25.9	7%	0.07	13%	0.125	C	C	.	.			trans	-77.2	163.8	162.5	49.9	0	0	0	0	111	Y264	S226-Y264 PolarHBondContact OG-OH 3.3Å
227	C	97.3	Very high	97.6	Very high	8 Å²	8	25.7 Å²	25.7	5%	0.054	12%	0.124	C	C	.	.			trans	-143.9	-175.6	179.3	-154.9	0	0	0	0	112.8	V39 D169 G229 D230 C255	V39-C227 HydrophobicContact CG2-CB 4.47Å; D169-C227 HydrophobicContact CB-CB 4.14Å; D169-C227 WeakPolarHBondContact O-CB 3.5Å; C227-G229 PolarHBondContact O-N 3.23Å; C227-D230 PolarHBondContact N-OD2 2.86Å; C227-D230 VanDerWaalsContact O-CB 3.29Å; C227-D230 WeakPolarHBondContact O-CB 3.29Å; C227-D230 PolarHBondContact O-N 3.03Å; C227-C255 WeakPolarHBondContact CA-SG 3.43Å; C227-C255 HydrophobicContact CB-CB 3.82Å; C227-C255 WeakPolarHBondContact CB-SG 3.33Å; C227-C255 WeakPolarHBondContact SG-CB 3.4Å; C227-C255 CovalentContact SG-SG 2.03Å; C227-C255 PolarHBondContact SG-SG 3.22Å
228	Q	96.4	Very high	97.6	Very high	94 Å²	94	30.2 Å²	30.2	44%	0.439	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	135	179.1	-76.4	70.8	22.3	0	0	110.9	G168 D169 D230 C255	G168-Q228 CarbonylContact C-O 3.45Å; G168-Q228 WeakPolarHBondContact CA-O 3.4Å; D169-Q228 PolarHBondContact N-O 3.5Å; Q228-D230 VanDerWaalsContact C-N 3.34Å; Q228-C255 PolarHBondContact OE1-SG 3.25Å
229	G	96.6	Very high	97.5	Very high	17 Å²	17	31.2 Å²	31.2	18%	0.175	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-20.4	-173.2	0	0	0	0	0	114.4	H64 C66 C227 S231	H64-G229 PolarHBondContact NE2-O 3.3Å; H64-G229 VanDerWaalsContact NE2-O 3.14Å; C66-G229 WeakPolarHBondContact CA-O 3.42Å; C227-G229 PolarHBondContact O-N 3.23Å; G229-S231 VanDerWaalsContact C-N 3.3Å
230	D	98.6	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.			trans	-79.6	-16.5	172.9	-62.6	-38.5	0	0	0	113.5	I38 G166 W167 G168 C227 Q228 G232 G233 V249	I38-D230 WeakPolarHBondContact CD1-OD1 3.27Å; I38-D230 WeakPolarHBondContact CD1-OD2 2.92Å; G166-D230 VanDerWaalsContact CA-OD1 3.32Å; G166-D230 WeakPolarHBondContact CA-OD1 3.44Å; W167-D230 PolarHBondContact N-OD1 2.72Å; G168-D230 VanDerWaalsContact CA-OD1 3.3Å; G168-D230 WeakPolarHBondContact CA-OD1 3.07Å; G168-D230 PolarHBondContact N-OD1 3.02Å; C227-D230 PolarHBondContact N-OD2 2.86Å; C227-D230 VanDerWaalsContact O-CB 3.29Å; C227-D230 WeakPolarHBondContact O-CB 3.29Å; C227-D230 PolarHBondContact O-N 3.03Å; Q228-D230 VanDerWaalsContact C-N 3.34Å; D230-G232 PolarHBondContact O-N 2.67Å; D230-G233 VanDerWaalsContact O-CA 3.31Å; D230-G233 WeakPolarHBondContact O-CA 3.29Å; D230-G233 PolarHBondContact O-N 2.7Å; D230-V249 HydrophobicContact CB-CG1 4.09Å; D230-V249 HydrophobicContact CB-CG2 4.36Å; D230-V249 WeakPolarHBondContact O-CB 3.27Å
231	S	98.7	Very high	97.1	Very high	17 Å²	17	41.7 Å²	41.7	12%	0.119	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.5	133.4	176.7	-70.9	0	0	0	0	112.9	C66 G67 H81 G229 G233	C66-S231 CarbonylContact C-O 3.5Å; C66-S231 WeakPolarHBondContact CB-O 3.3Å; G67-S231 PolarHBondContact N-O 3.28Å; H81-S231 VanDerWaalsContact CE1-CB 3.42Å; H81-S231 WeakPolarHBondContact CE1-CB 3.33Å; H81-S231 PolarHBondContact CE1-OG 2.96Å; H81-S231 VanDerWaalsContact CE1-OG 3.25Å; H81-S231 WeakPolarHBondContact NE2-CB 3.27Å; H81-S231 PolarHBondContact NE2-OG 3.39Å; G229-S231 VanDerWaalsContact C-N 3.3Å; S231-G233 PolarHBondContact O-N 3.28Å
232	G	98.9	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-16.5	-174.3	0	0	0	0	0	115	G67 G68 T78 A79 D230 V249	G67-G232 CarbonylContact O-C 3.54Å; G68-G232 VanDerWaalsContact CA-O 3.26Å; G68-G232 WeakPolarHBondContact CA-O 2.86Å; T78-G232 WeakPolarHBondContact OG1-CA 3.36Å; A79-G232 VanDerWaalsContact N-CA 3.26Å; D230-G232 PolarHBondContact O-N 2.67Å; G232-V249 PolarHBondContact N-O 2.84Å
233	G	98.9	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.			trans	-63.1	159.4	173.1	0	0	0	0	0	112.9	D230 S231 V249	D230-G233 VanDerWaalsContact O-CA 3.31Å; D230-G233 WeakPolarHBondContact O-CA 3.29Å; D230-G233 PolarHBondContact O-N 2.7Å; S231-G233 PolarHBondContact O-N 3.28Å; G233-V249 WeakPolarHBondContact O-CG2 3.01Å; G233-V249 PolarHBondContact O-N 2.99Å
234	P	98.9	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.9	-173.9	34.8	-35	0	0	0	112.6	V236 Q245	P234-V236 HydrophobicContact CB-CG1 4.05Å; P234-Q245 HydrophobicContact CB-CG 4.03Å
235	L	98.9	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.7	156	174.8	67.4	0	0	0	108.2	C162 V164 V187 I189 L217 A219 Q245 A246 G247 Y264	C162-L235 HydrophobicContact CB-CD1 3.97Å; V164-L235 HydrophobicContact CB-CD1 4.25Å; V187-L235 HydrophobicContact CG2-CD1 3.51Å; I189-L235 HydrophobicContact CD1-CD2 3.99Å; L217-L235 HydrophobicContact CD2-CD2 3.4Å; L217-L235 VanDerWaalsContact CD2-CD2 3.4Å; A219-L235 HydrophobicContact CB-CD2 4.16Å; L235-Q245 CarbonylContact O-C 3.59Å; L235-A246 HydrophobicContact CD2-CB 4.44Å; L235-A246 HydrophobicContact CG-CB 4.44Å; L235-A246 PolarHBondContact O-N 3.31Å; L235-G247 PolarHBondContact N-O 3.06Å; L235-G247 PolarHBondContact O-N 3.2Å; L235-Y264 HydrophobicContact CB-CD1 3.62Å; L235-Y264 HydrophobicContact CB-CE1 3.72Å; L235-Y264 HydrophobicContact CB-CG 4.43Å; L235-Y264 HydrophobicContact CD1-CE1 4.38Å; L235-Y264 HydrophobicContact CD2-CD1 3.95Å; L235-Y264 HydrophobicContact CD2-CD2 4.19Å; L235-Y264 HydrophobicContact CD2-CE1 4.16Å; L235-Y264 HydrophobicContact CD2-CE2 4.46Å; L235-Y264 HydrophobicContact CD2-CG 3.96Å; L235-Y264 HydrophobicContact CG-CD1 4.34Å; L235-Y264 HydrophobicContact CG-CE1 4.31Å
236	V	98.9	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.4	-178.2	-64.3	0	0	0	0	112	W49 W51 V147 C162 W163 P234 W243 L244 Q245	W49-V236 HydrophobicContact CE3-CG2 4Å; W49-V236 HydrophobicContact CH2-CG2 4.38Å; W49-V236 HydrophobicContact CZ3-CG2 3.57Å; W51-V236 HydrophobicContact CZ2-CB 4.41Å; W51-V236 HydrophobicContact CZ2-CG1 3.98Å; W51-V236 HydrophobicContact CZ2-CG2 4.2Å; V147-V236 HydrophobicContact CG2-CG1 3.97Å; C162-V236 CarbonylContact C-O 3.55Å; C162-V236 VanDerWaalsContact CA-O 3.22Å; C162-V236 WeakPolarHBondContact CA-O 3.3Å; W163-V236 HydrophobicContact CB-CG2 4.33Å; W163-V236 PolarHBondContact N-O 2.84Å; W163-V236 PolarHBondContact O-N 3.46Å; P234-V236 HydrophobicContact CB-CG1 4.05Å; V236-W243 HydrophobicContact CB-CE3 4.08Å; V236-W243 HydrophobicContact CG2-CE3 3.87Å; V236-W243 HydrophobicContact CG2-CZ3 4.22Å; V236-L244 CarbonylContact C-O 3.39Å; V236-L244 VanDerWaalsContact CA-O 3.29Å; V236-L244 WeakPolarHBondContact CA-O 3Å; V236-Q245 HydrophobicContact CG1-CB 4.36Å
237	C	98.8	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.8	177.9	-59.1	0	0	0	0	109.9	F156 C162 L244	F156-C237 HydrophobicContact CD1-CB 3.75Å; F156-C237 HydrophobicContact CE1-CB 3.87Å; C162-C237 HydrophobicContact CB-CB 4.13Å; C162-C237 WeakPolarHBondContact CB-SG 3.46Å; C162-C237 WeakPolarHBondContact SG-CB 3.39Å; C162-C237 CovalentContact SG-SG 2.04Å; C162-C237 PolarHBondContact SG-SG 2.79Å; C237-L244 PolarHBondContact N-O 2.85Å; C237-L244 PolarHBondContact O-N 3.34Å
238	K	97.6	Very high	98	Very high	97 Å²	97	28.4 Å²	28.4	42%	0.422	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.9	177.3	-156.3	174.4	-173	-175.2	0	110.4	P161 G241 T242 W243	P161-K238 HydrophobicContact CG-CB 4.21Å; P161-K238 PolarHBondContact O-N 2.82Å; K238-G241 VanDerWaalsContact CE-O 3.22Å; K238-G241 WeakPolarHBondContact CE-O 3.49Å; K238-T242 CarbonylContact C-O 3.48Å; K238-T242 WeakPolarHBondContact CA-O 3.16Å; K238-W243 HydrophobicContact CB-CD2 4.28Å; K238-W243 HydrophobicContact CB-CE3 3.91Å; K238-W243 HydrophobicContact CB-CH2 3.96Å; K238-W243 HydrophobicContact CB-CZ2 4.32Å; K238-W243 HydrophobicContact CB-CZ3 3.74Å; K238-W243 HydrophobicContact CD-CH2 4.32Å; K238-W243 HydrophobicContact CD-CZ2 3.95Å; K238-W243 HydrophobicContact CG-CD2 4.3Å; K238-W243 HydrophobicContact CG-CE3 4.42Å; K238-W243 HydrophobicContact CG-CH2 4.49Å; K238-W243 HydrophobicContact CG-CZ2 4.36Å
239	V	97.3	Very high	98.1	Very high	20 Å²	20	24.1 Å²	24.1	12%	0.121	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.8	180	-176.9	0	0	0	0	108.8	F156 M160 G241 T242 L244	F156-V239 HydrophobicContact CE1-CG2 4.29Å; M160-V239 HydrophobicContact CE-CG2 4.16Å; M160-V239 HydrophobicContact SD-CG2 4.23Å; V239-G241 PolarHBondContact O-N 3.5Å; V239-G241 VanDerWaalsContact O-N 3.08Å; V239-T242 PolarHBondContact N-O 3.15Å; V239-T242 PolarHBondContact O-N 2.62Å; V239-L244 HydrophobicContact CB-CD1 3.81Å; V239-L244 HydrophobicContact CB-CG 4.28Å; V239-L244 HydrophobicContact CG1-CD1 4.29Å; V239-L244 HydrophobicContact CG2-CD1 3.92Å; V239-L244 HydrophobicContact CG2-CG 4.4Å
240	N	94.8	Very high	98.2	Very high	168 Å²	168	23.6 Å²	23.6	90%	0.898	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	37.1	-179.6	-63.4	-18.1	0	0	0	114.6
241	G	94.4	Very high	98.2	Very high	54 Å²	54	25.2 Å²	25.2	56%	0.557	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	-16.5	179.9	0	0	0	0	0	115.2	K238 V239	K238-G241 VanDerWaalsContact CE-O 3.22Å; K238-G241 WeakPolarHBondContact CE-O 3.49Å; V239-G241 PolarHBondContact O-N 3.5Å; V239-G241 VanDerWaalsContact O-N 3.08Å
242	T	96.9	Very high	98.1	Very high	67 Å²	67	25.8 Å²	25.8	41%	0.411	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.5	-177.2	-54	0	0	0	0	111.2	T148 K238 V239 L244	T148-T242 HydrophobicContact CG2-CG2 4.5Å; K238-T242 CarbonylContact C-O 3.48Å; K238-T242 WeakPolarHBondContact CA-O 3.16Å; V239-T242 PolarHBondContact N-O 3.15Å; V239-T242 PolarHBondContact O-N 2.62Å; T242-L244 HydrophobicContact CG2-CD2 4.03Å
243	W	98.6	Very high	98	Very high	48 Å²	48	30 Å²	30	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.1	171.9	-69.1	105.8	0	0	0	109.9	W49 W51 W163 V236 K238	W49-W243 AromaticContact CH2-CH2 3.97Å; W49-W243 HydrophobicContact CH2-CH2 3.97Å; W49-W243 HydrophobicContact CH2-CZ2 4.1Å; W49-W243 HydrophobicContact CH2-CZ3 4.34Å; W49-W243 HydrophobicContact CZ3-CD2 4.25Å; W49-W243 HydrophobicContact CZ3-CE3 4.28Å; W49-W243 HydrophobicContact CZ3-CH2 4.19Å; W49-W243 HydrophobicContact CZ3-CZ2 4.15Å; W49-W243 HydrophobicContact CZ3-CZ3 4.25Å; W51-W243 HydrophobicContact CH2-CB 3.55Å; W51-W243 AromaticContact CH2-CD1 3.83Å; W51-W243 AromaticContact CH2-CG 3.73Å; W51-W243 HydrophobicContact CH2-CG 3.73Å; W51-W243 HydrophobicContact CZ2-CB 4.04Å; W51-W243 HydrophobicContact CZ2-CG 4.28Å; W51-W243 HydrophobicContact CZ3-CB 4.41Å; W163-W243 AromaticContact CD1-CH2 3.61Å; W163-W243 AromaticContact CD1-CZ3 3.82Å; W163-W243 AromaticContact NE1-CH2 3.99Å; V236-W243 HydrophobicContact CB-CE3 4.08Å; V236-W243 HydrophobicContact CG2-CE3 3.87Å; V236-W243 HydrophobicContact CG2-CZ3 4.22Å; K238-W243 HydrophobicContact CB-CD2 4.28Å; K238-W243 HydrophobicContact CB-CE3 3.91Å; K238-W243 HydrophobicContact CB-CH2 3.96Å; K238-W243 HydrophobicContact CB-CZ2 4.32Å; K238-W243 HydrophobicContact CB-CZ3 3.74Å; K238-W243 HydrophobicContact CD-CH2 4.32Å; K238-W243 HydrophobicContact CD-CZ2 3.95Å; K238-W243 HydrophobicContact CG-CD2 4.3Å; K238-W243 HydrophobicContact CG-CE3 4.42Å; K238-W243 HydrophobicContact CG-CH2 4.49Å; K238-W243 HydrophobicContact CG-CZ2 4.36Å
244	L	98.9	Very high	97.7	Very high	14 Å²	14	31.3 Å²	31.3	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.4	174.5	-55.2	-176.7	0	0	0	109.5	T148 P150 F156 V236 C237 V239 T242 A246	T148-L244 HydrophobicContact CG2-CD2 3.6Å; T148-L244 WeakPolarHBondContact O-CA 3.27Å; P150-L244 HydrophobicContact CB-CB 4.35Å; P150-L244 HydrophobicContact CB-CD1 4.21Å; F156-L244 HydrophobicContact CE1-CB 4.21Å; F156-L244 HydrophobicContact CZ-CB 4.23Å; V236-L244 CarbonylContact C-O 3.39Å; V236-L244 VanDerWaalsContact CA-O 3.29Å; V236-L244 WeakPolarHBondContact CA-O 3Å; C237-L244 PolarHBondContact N-O 2.85Å; C237-L244 PolarHBondContact O-N 3.34Å; V239-L244 HydrophobicContact CB-CD1 3.81Å; V239-L244 HydrophobicContact CB-CG 4.28Å; V239-L244 HydrophobicContact CG1-CD1 4.29Å; V239-L244 HydrophobicContact CG2-CD1 3.92Å; V239-L244 HydrophobicContact CG2-CG 4.4Å; T242-L244 HydrophobicContact CG2-CD2 4.03Å; L244-A246 PolarHBondContact O-N 3.38Å
245	Q	98.9	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	105.2	173.2	-170.6	173.5	-12.5	0	0	110.3	S69 V147 T148 P150 P234 L235 V236 G247 V267	S69-Q245 PolarHBondContact OG-NE2 3.28Å; S69-Q245 PolarHBondContact OG-OE1 2.98Å; V147-Q245 HydrophobicContact CG1-CB 4.25Å; V147-Q245 HydrophobicContact CG2-CB 3.98Å; T148-Q245 PolarHBondContact O-N 3.34Å; P150-Q245 WeakPolarHBondContact CD-O 3.26Å; P234-Q245 HydrophobicContact CB-CG 4.03Å; L235-Q245 CarbonylContact O-C 3.59Å; V236-Q245 HydrophobicContact CG1-CB 4.36Å; Q245-G247 WeakPolarHBondContact CG-O 3.43Å; Q245-G247 PolarHBondContact NE2-O 3.45Å; Q245-V267 HydrophobicContact CG-CG2 4.19Å; Q245-V267 WeakPolarHBondContact O-CB 3.24Å
246	A	98.9	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-37.2	179.5	0	0	0	0	0	112.2	F156 L217 L235 L244 V267	F156-A246 HydrophobicContact CB-CB 4.43Å; F156-A246 HydrophobicContact CD1-CB 3.63Å; F156-A246 HydrophobicContact CD2-CB 3.63Å; F156-A246 HydrophobicContact CE1-CB 3.59Å; F156-A246 VanDerWaalsContact CE2-CA 3.47Å; F156-A246 HydrophobicContact CE2-CB 3.59Å; F156-A246 HydrophobicContact CG-CB 3.63Å; F156-A246 VanDerWaalsContact CZ-CA 3.45Å; F156-A246 HydrophobicContact CZ-CB 3.53Å; L217-A246 HydrophobicContact CD1-CB 4.23Å; L235-A246 HydrophobicContact CD2-CB 4.44Å; L235-A246 HydrophobicContact CG-CB 4.44Å; L235-A246 PolarHBondContact O-N 3.31Å; L244-A246 PolarHBondContact O-N 3.38Å; A246-V267 PolarHBondContact O-N 3.21Å; A246-V267 VanDerWaalsContact O-N 3.13Å
247	G	98.9	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	165.9	-173.2	0	0	0	0	0	114.6	L235 Q245 T265	L235-G247 PolarHBondContact N-O 3.06Å; L235-G247 PolarHBondContact O-N 3.2Å; Q245-G247 WeakPolarHBondContact CG-O 3.43Å; Q245-G247 PolarHBondContact NE2-O 3.45Å; G247-T265 CarbonylContact C-O 3.5Å; G247-T265 WeakPolarHBondContact CA-O 3.06Å
248	V	99	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.1	169	-179.6	0	0	0	0	107.1	L77 A79 S250 Y264 T265 V267	L77-V248 HydrophobicContact CD2-CG2 3.95Å; L77-V248 HydrophobicContact CG-CG2 4.1Å; A79-V248 HydrophobicContact CB-CG1 4.06Å; V248-S250 PolarHBondContact O-N 2.98Å; V248-Y264 CarbonylContact O-C 3.52Å; V248-Y264 WeakPolarHBondContact O-CA 3.49Å; V248-Y264 WeakPolarHBondContact O-CB 3.05Å; V248-T265 PolarHBondContact N-O 3.08Å; V248-T265 PolarHBondContact O-N 3.1Å; V248-V267 HydrophobicContact CG2-CG2 4.13Å
249	V	98.9	Very high	97.1	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	123.8	177.8	178.7	0	0	0	0	108.9	V164 D230 G232 G233 Y264	V164-V249 HydrophobicContact CG2-CG2 3.53Å; D230-V249 HydrophobicContact CB-CG1 4.09Å; D230-V249 HydrophobicContact CB-CG2 4.36Å; D230-V249 WeakPolarHBondContact O-CB 3.27Å; G232-V249 PolarHBondContact N-O 2.84Å; G233-V249 WeakPolarHBondContact O-CG2 3.01Å; G233-V249 PolarHBondContact O-N 2.99Å; V249-Y264 HydrophobicContact CB-CD1 4.38Å; V249-Y264 HydrophobicContact CB-CE1 4.32Å; V249-Y264 HydrophobicContact CG2-CD1 3.99Å; V249-Y264 HydrophobicContact CG2-CE1 3.58Å
250	S	98.8	Very high	97.2	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-68.9	-171.9	-179.9	0	0	0	0	111.9	H81 D128 V248 I263	H81-S250 PolarHBondContact CE1-O 3.01Å; D128-S250 WeakPolarHBondContact CB-OG 3.31Å; D128-S250 WeakPolarHBondContact OD2-CA 2.97Å; D128-S250 WeakPolarHBondContact OD2-CB 3.26Å; D128-S250 PolarHBondContact OD2-OG 3.06Å; V248-S250 PolarHBondContact O-N 2.98Å; S250-I263 WeakPolarHBondContact CB-O 3.36Å; S250-I263 PolarHBondContact N-O 3.03Å
251	W	98.6	Very high	97.3	Very high	34 Å²	34	30.8 Å²	30.8	13%	0.129	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	172.3	-176.3	68.6	-80.1	0	0	0	113.9	A123 Q124 Y199 I211 M216 I263	A123-W251 HydrophobicContact CB-CB 3.89Å; A123-W251 HydrophobicContact CB-CG 4.01Å; A123-W251 PolarHBondContact O-NE1 3.08Å; Q124-W251 HydrophobicContact CB-CZ2 4.37Å; Q124-W251 HydrophobicContact CG-CD2 4.02Å; Q124-W251 HydrophobicContact CG-CE3 3.9Å; Q124-W251 HydrophobicContact CG-CH2 4.09Å; Q124-W251 HydrophobicContact CG-CZ2 4.2Å; Q124-W251 HydrophobicContact CG-CZ3 3.93Å; Y199-W251 HydrophobicContact CE1-CH2 4.11Å; Y199-W251 AromaticContact CE1-CZ3 3.83Å; Y199-W251 HydrophobicContact CE1-CZ3 3.83Å; I211-W251 HydrophobicContact CG2-CH2 3.78Å; I211-W251 HydrophobicContact CG2-CZ2 4.46Å; M216-W251 HydrophobicContact CE-CZ2 4.48Å; M216-W251 HydrophobicContact SD-CZ2 4.19Å; W251-I263 HydrophobicContact CD2-CB 4.28Å; W251-I263 HydrophobicContact CD2-CD1 3.94Å; W251-I263 VanDerWaalsContact CE2-CD1 3.47Å; W251-I263 HydrophobicContact CE3-CD1 4.12Å; W251-I263 HydrophobicContact CG-CB 4.33Å; W251-I263 HydrophobicContact CH2-CD1 3.45Å; W251-I263 VanDerWaalsContact CH2-CD1 3.45Å; W251-I263 HydrophobicContact CZ2-CD1 3.23Å; W251-I263 HydrophobicContact CZ2-CG1 4.48Å; W251-I263 HydrophobicContact CZ2-CG2 4.48Å; W251-I263 HydrophobicContact CZ3-CD1 3.89Å; W251-I263 PolarHBondContact N-O 3.01Å; W251-I263 WeakPolarHBondContact O-CA 3.42Å; W251-I263 WeakPolarHBondContact O-CB 3.4Å; W251-I263 PolarHBondContact O-N 3Å; W251-I263 VanDerWaalsContact O-O 3.11Å
252	G	96.5	Very high	97.6	Very high	28 Å²	28	28.3 Å²	28.3	29%	0.289	16%	0.161	S	C	.	.			trans	-169.6	161	175.6	0	0	0	0	0	110.6	G254	G252-G254 PolarHBondContact O-N 3.49Å
253	E	95.5	Very high	97.6	Very high	89 Å²	89	25.1 Å²	25.1	42%	0.416	14%	0.141	S	C	.	.	S	Bend	trans	-87.3	95.9	167.7	-82.5	179.7	-140.1	0	0	108.6	Y199 Q257 R260	Y199-E253 HydrophobicContact CE1-CB 4.3Å; Y199-E253 HydrophobicContact CE1-CG 4.03Å; Y199-E253 PolarHBondContact OH-N 2.77Å; E253-Q257 WeakPolarHBondContact O-CB 3.47Å; E253-Q257 VanDerWaalsContact O-CG 3.25Å; E253-Q257 WeakPolarHBondContact O-CG 3.38Å; E253-R260 HydrophobicContact CB-CB 4.09Å; E253-R260 HydrophobicContact CB-CG 3.77Å; E253-R260 VanDerWaalsContact CD-NE 3.31Å; E253-R260 IonicContact OE1-NE 2.8Å; E253-R260 WeakPolarHBondContact OE2-CD 3.47Å; E253-R260 IonicContact OE2-CZ 3.78Å; E253-R260 IonicContact OE2-NE 3.75Å; E253-R260 PolarHBondContact OE2-NE 2.89Å; E253-R260 IonicContact OE2-NH2 2.85Å
254	G	94	Very high	97.7	Very high	28 Å²	28	22.8 Å²	22.8	29%	0.289	13%	0.133	S	C	.	.	S	Bend	trans	65.1	-164.9	-166.9	0	0	0	0	0	112.1	N172 G252	N172-G254 VanDerWaalsContact OD1-CA 3.28Å; N172-G254 WeakPolarHBondContact OD1-CA 3.29Å; G252-G254 PolarHBondContact O-N 3.49Å
255	C	94.3	Very high	97.7	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.02	13%	0.13	C	C	.	.	S	Bend	trans	-117.2	129.4	176.9	-52.9	0	0	0	0	110.1	V39 N172 C227 Q228 Q257	V39-C255 HydrophobicContact CG2-CB 3.89Å; N172-C255 PolarHBondContact ND2-O 3.14Å; N172-C255 PolarHBondContact OD1-N 3.22Å; C227-C255 WeakPolarHBondContact CA-SG 3.43Å; C227-C255 HydrophobicContact CB-CB 3.82Å; C227-C255 WeakPolarHBondContact CB-SG 3.33Å; C227-C255 WeakPolarHBondContact SG-CB 3.4Å; C227-C255 CovalentContact SG-SG 2.03Å; C227-C255 PolarHBondContact SG-SG 3.22Å; Q228-C255 PolarHBondContact OE1-SG 3.25Å; C255-Q257 PolarHBondContact O-N 2.83Å
256	A	95	Very high	97.7	Very high	11 Å²	11	24.1 Å²	24.1	9%	0.091	14%	0.137	C	C	.	.	S	Bend	trans	52.7	36	179.1	0	0	0	0	0	113.9	V39 T222 D225	V39-A256 HydrophobicContact CB-CB 4.01Å; V39-A256 HydrophobicContact CG1-CB 3.54Å; V39-A256 HydrophobicContact CG2-CB 4.26Å; T222-A256 VanDerWaalsContact CA-O 3.24Å; T222-A256 WeakPolarHBondContact CA-O 3.38Å; D225-A256 HydrophobicContact CB-CB 3.82Å; D225-A256 WeakPolarHBondContact OD2-CA 3.33Å; D225-A256 PolarHBondContact OD2-N 3.18Å
257	Q	96.5	Very high	97.7	Very high	80 Å²	80	24.1 Å²	24.1	37%	0.374	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-78.5	149.5	-179.8	-68.1	-66.8	-15.5	0	0	111.6	N172 E253 C255 N259 R260	N172-Q257 PolarHBondContact ND2-NE2 3.02Å; E253-Q257 WeakPolarHBondContact O-CB 3.47Å; E253-Q257 VanDerWaalsContact O-CG 3.25Å; E253-Q257 WeakPolarHBondContact O-CG 3.38Å; C255-Q257 PolarHBondContact O-N 2.83Å; Q257-N259 PolarHBondContact O-N 2.03Å; Q257-R260 HydrophobicContact CB-CB 3.98Å; Q257-R260 HydrophobicContact CB-CG 4.2Å; Q257-R260 PolarHBondContact O-N 2.84Å; Q257-R260 VanDerWaalsContact O-N 3.14Å
258	P	97.1	Very high	97.7	Very high	83 Å²	83	25.2 Å²	25.2	54%	0.539	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	127.2	173.8	-25.1	34.7	0	0	0	111.7	T222 R260	T222-P258 HydrophobicContact CG2-CB 4.36Å; T222-P258 HydrophobicContact CG2-CG 4.24Å; P258-R260 PolarHBondContact O-N 2.8Å
259	N	97.8	Very high	97.6	Very high	63 Å²	63	31.6 Å²	31.6	34%	0.337	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	20.6	-179.2	-53.8	-50.9	0	0	0	115.6	K198 L201 Q257	K198-N259 CarbonylContact C-O 3.44Å; K198-N259 HydrophobicContact CB-CB 4.2Å; K198-N259 PolarHBondContact NZ-OD1 2.96Å; L201-N259 HydrophobicContact CB-CB 4.45Å; L201-N259 HydrophobicContact CD1-CB 4.2Å; Q257-N259 PolarHBondContact O-N 2.03Å
260	R	98.4	Very high	97.6	Very high	28 Å²	28	31.8 Å²	31.8	11%	0.106	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-128.3	74.6	173.6	-56.6	-63.7	-176	-94.6	1.3	110.4	K198 Y199 L201 E253 Q257 P258	K198-R260 PolarHBondContact O-NH1 2.76Å; Y199-R260 PolarHBondContact O-NH1 3.04Å; Y199-R260 PolarHBondContact O-NH2 2.8Å; L201-R260 PolarHBondContact O-NH1 3.18Å; L201-R260 VanDerWaalsContact O-NH1 3.07Å; L201-R260 PolarHBondContact O-NH2 3.1Å; E253-R260 HydrophobicContact CB-CB 4.09Å; E253-R260 HydrophobicContact CB-CG 3.77Å; E253-R260 VanDerWaalsContact CD-NE 3.31Å; E253-R260 IonicContact OE1-NE 2.8Å; E253-R260 WeakPolarHBondContact OE2-CD 3.47Å; E253-R260 IonicContact OE2-CZ 3.78Å; E253-R260 IonicContact OE2-NE 3.75Å; E253-R260 PolarHBondContact OE2-NE 2.89Å; E253-R260 IonicContact OE2-NH2 2.85Å; Q257-R260 HydrophobicContact CB-CB 3.98Å; Q257-R260 HydrophobicContact CB-CG 4.2Å; Q257-R260 PolarHBondContact O-N 2.84Å; Q257-R260 VanDerWaalsContact O-N 3.14Å; P258-R260 PolarHBondContact O-N 2.8Å
261	P	98.4	Very high	97.6	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.039	17%	0.169	C	C	.	.			trans	-61.6	148.3	173.7	-17.2	30.5	0	0	0	111	M190 K198 Y199	M190-P261 HydrophobicContact CE-CG 3.83Å; M190-P261 HydrophobicContact SD-CG 3.85Å; K198-P261 HydrophobicContact CD-CG 4.44Å; Y199-P261 WeakPolarHBondContact CE2-O 3.36Å; Y199-P261 PolarHBondContact OH-O 3.01Å
262	G	98.6	Very high	97.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	139.9	172.3	0	0	0	0	0	112.8	C218 A219 D225 Y264	C218-G262 WeakPolarHBondContact CA-O 3.08Å; A219-G262 PolarHBondContact N-O 2.88Å; A219-G262 WeakPolarHBondContact O-CA 3.43Å; A219-G262 PolarHBondContact O-N 2.92Å; A219-G262 VanDerWaalsContact O-N 3.08Å; D225-G262 WeakPolarHBondContact OD1-CA 3.37Å; D225-G262 PolarHBondContact OD1-N 2.97Å; G262-Y264 WeakPolarHBondContact O-CD2 3.31Å; G262-Y264 WeakPolarHBondContact O-CE2 3.04Å
263	I	98.9	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.2	-179.9	-60.7	171.1	0	0	0	109.6	Y199 V212 M216 S250 W251	Y199-I263 HydrophobicContact CD2-CD1 4.41Å; Y199-I263 HydrophobicContact CE1-CD1 4.07Å; Y199-I263 HydrophobicContact CE2-CD1 3.67Å; Y199-I263 HydrophobicContact CE2-CG1 4.09Å; Y199-I263 VanDerWaalsContact CZ-CD1 3.47Å; Y199-I263 WeakPolarHBondContact OH-CD1 3.48Å; V212-I263 HydrophobicContact CG2-CD1 3.96Å; M216-I263 HydrophobicContact CB-CG2 3.79Å; M216-I263 HydrophobicContact CG-CG2 4Å; M216-I263 HydrophobicContact SD-CG2 3.81Å; S250-I263 WeakPolarHBondContact CB-O 3.36Å; S250-I263 PolarHBondContact N-O 3.03Å; W251-I263 HydrophobicContact CD2-CB 4.28Å; W251-I263 HydrophobicContact CD2-CD1 3.94Å; W251-I263 VanDerWaalsContact CE2-CD1 3.47Å; W251-I263 HydrophobicContact CE3-CD1 4.12Å; W251-I263 HydrophobicContact CG-CB 4.33Å; W251-I263 HydrophobicContact CH2-CD1 3.45Å; W251-I263 VanDerWaalsContact CH2-CD1 3.45Å; W251-I263 HydrophobicContact CZ2-CD1 3.23Å; W251-I263 HydrophobicContact CZ2-CG1 4.48Å; W251-I263 HydrophobicContact CZ2-CG2 4.48Å; W251-I263 HydrophobicContact CZ3-CD1 3.89Å; W251-I263 PolarHBondContact N-O 3.01Å; W251-I263 WeakPolarHBondContact O-CA 3.42Å; W251-I263 WeakPolarHBondContact O-CB 3.4Å; W251-I263 PolarHBondContact O-N 3Å; W251-I263 VanDerWaalsContact O-O 3.11Å
264	Y	98.9	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.1	-175.8	-59.5	-106.9	0	0	0	109	V164 M216 L217 A219 S226 L235 V248 V249 G262 R266	V164-Y264 HydrophobicContact CB-CE1 4.31Å; V164-Y264 HydrophobicContact CG2-CE1 3.91Å; M216-Y264 CarbonylContact C-O 3.52Å; M216-Y264 VanDerWaalsContact CA-O 3.28Å; M216-Y264 WeakPolarHBondContact CA-O 3.03Å; L217-Y264 HydrophobicContact CD2-CD2 4.43Å; L217-Y264 PolarHBondContact N-O 3.41Å; L217-Y264 PolarHBondContact O-N 3.14Å; A219-Y264 HydrophobicContact CB-CD2 4.26Å; A219-Y264 HydrophobicContact CB-CE2 3.75Å; S226-Y264 PolarHBondContact OG-OH 3.3Å; L235-Y264 HydrophobicContact CB-CD1 3.62Å; L235-Y264 HydrophobicContact CB-CE1 3.72Å; L235-Y264 HydrophobicContact CB-CG 4.43Å; L235-Y264 HydrophobicContact CD1-CE1 4.38Å; L235-Y264 HydrophobicContact CD2-CD1 3.95Å; L235-Y264 HydrophobicContact CD2-CD2 4.19Å; L235-Y264 HydrophobicContact CD2-CE1 4.16Å; L235-Y264 HydrophobicContact CD2-CE2 4.46Å; L235-Y264 HydrophobicContact CD2-CG 3.96Å; L235-Y264 HydrophobicContact CG-CD1 4.34Å; L235-Y264 HydrophobicContact CG-CE1 4.31Å; V248-Y264 CarbonylContact O-C 3.52Å; V248-Y264 WeakPolarHBondContact O-CA 3.49Å; V248-Y264 WeakPolarHBondContact O-CB 3.05Å; V249-Y264 HydrophobicContact CB-CD1 4.38Å; V249-Y264 HydrophobicContact CB-CE1 4.32Å; V249-Y264 HydrophobicContact CG2-CD1 3.99Å; V249-Y264 HydrophobicContact CG2-CE1 3.58Å; G262-Y264 WeakPolarHBondContact O-CD2 3.31Å; G262-Y264 WeakPolarHBondContact O-CE2 3.04Å; Y264-R266 PolarHBondContact O-N 3.27Å
265	T	98.9	Very high	98.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.6	168.6	-52.2	0	0	0	0	109.1	D128 I129 G247 V248 V267 Y270	D128-T265 PolarHBondContact O-OG1 3.06Å; I129-T265 HydrophobicContact CB-CG2 4.16Å; I129-T265 HydrophobicContact CD1-CG2 4.43Å; G247-T265 CarbonylContact C-O 3.5Å; G247-T265 WeakPolarHBondContact CA-O 3.06Å; V248-T265 PolarHBondContact N-O 3.08Å; V248-T265 PolarHBondContact O-N 3.1Å; T265-V267 PolarHBondContact O-N 3.45Å; T265-Y270 HydrophobicContact CG2-CD2 3.7Å; T265-Y270 HydrophobicContact CG2-CE2 3.47Å; T265-Y270 VanDerWaalsContact CG2-CE2 3.47Å
266	R	98.9	Very high	98.3	Very high	39 Å²	39	41.2 Å²	41.2	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	110.2	-179	180	179.1	-64.2	-81.6	-3.8	110.2	T155 N192 D214 D215 M216 L217 Y264 T268 Y269	T155-R266 PolarHBondContact O-NH1 3.14Å; N192-R266 PolarHBondContact OD1-NH2 3.38Å; D214-R266 PolarHBondContact O-NE 3.48Å; D215-R266 VanDerWaalsContact O-CB 3.32Å; D215-R266 WeakPolarHBondContact O-CB 3.37Å; D215-R266 PolarHBondContact O-N 3.45Å; M216-R266 PolarHBondContact O-NE 2.78Å; M216-R266 VanDerWaalsContact O-NE 3.08Å; M216-R266 PolarHBondContact O-NH2 3.03Å; L217-R266 HydrophobicContact CB-CB 4.33Å; Y264-R266 PolarHBondContact O-N 3.27Å; R266-T268 VanDerWaalsContact C-N 3.3Å; R266-T268 WeakPolarHBondContact CG-OG1 3.3Å; R266-T268 PolarHBondContact O-N 3.11Å; R266-Y269 WeakPolarHBondContact O-CB 3.26Å; R266-Y269 PolarHBondContact O-N 3.36Å; R266-Y269 VanDerWaalsContact O-N 3.13Å
267	V	98.9	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.4	-38.6	-175.3	171.6	0	0	0	0	112.4	L77 L149 P150 Q245 A246 V248 T265 Y269 Y270 L271 I274	L77-V267 HydrophobicContact CD2-CG2 4.45Å; L149-V267 HydrophobicContact CD2-CG1 3.87Å; P150-V267 HydrophobicContact CG-CB 4.42Å; P150-V267 HydrophobicContact CG-CG1 4.06Å; Q245-V267 HydrophobicContact CG-CG2 4.19Å; Q245-V267 WeakPolarHBondContact O-CB 3.24Å; A246-V267 PolarHBondContact O-N 3.21Å; A246-V267 VanDerWaalsContact O-N 3.13Å; V248-V267 HydrophobicContact CG2-CG2 4.13Å; T265-V267 PolarHBondContact O-N 3.45Å; V267-Y269 PolarHBondContact O-N 2.97Å; V267-Y270 PolarHBondContact O-N 3.07Å; V267-L271 HydrophobicContact CG1-CD2 4.1Å; V267-L271 PolarHBondContact O-N 3.34Å; V267-I274 HydrophobicContact CG1-CD1 4.32Å
268	T	98.8	Very high	98.5	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.141	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.9	-179.7	47.1	0	0	0	0	113.4	P150 P151 F156 R266 Y270 L271	P150-T268 HydrophobicContact CB-CG2 3.96Å; P150-T268 HydrophobicContact CG-CG2 3.56Å; P151-T268 WeakPolarHBondContact O-CG2 3.45Å; F156-T268 HydrophobicContact CE2-CG2 4.27Å; R266-T268 VanDerWaalsContact C-N 3.3Å; R266-T268 WeakPolarHBondContact CG-OG1 3.3Å; R266-T268 PolarHBondContact O-N 3.11Å; T268-Y270 VanDerWaalsContact C-N 3.28Å; T268-Y270 PolarHBondContact O-N 3.33Å; T268-L271 HydrophobicContact CG2-CD1 4.26Å
269	Y	98.8	Very high	98.4	Very high	133 Å²	133	39.9 Å²	39.9	52%	0.522	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-68.1	-28.6	178.9	-158.3	-81.9	0	0	0	112.5	D214 D215 R266 V267	D214-Y269 HydrophobicContact CB-CE2 4.22Å; D215-Y269 HydrophobicContact CB-CD1 3.75Å; D215-Y269 HydrophobicContact CB-CD2 4.04Å; D215-Y269 HydrophobicContact CB-CE1 3.97Å; D215-Y269 HydrophobicContact CB-CE2 4.24Å; D215-Y269 HydrophobicContact CB-CG 3.8Å; R266-Y269 WeakPolarHBondContact O-CB 3.26Å; R266-Y269 PolarHBondContact O-N 3.36Å; R266-Y269 VanDerWaalsContact O-N 3.13Å; V267-Y269 PolarHBondContact O-N 2.97Å
270	Y	98.9	Very high	97.7	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.035	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-111.2	10	-172.5	-64.8	-73.7	0	0	0	114.1	H117 A127 I129 D215 T265 V267 T268 D272 W273 I274	H117-Y270 AromaticContact CD2-CD1 3.61Å; H117-Y270 AromaticContact CD2-CE1 3.8Å; H117-Y270 AromaticContact CE1-CE1 3.79Å; H117-Y270 AromaticContact NE2-CD1 3.53Å; H117-Y270 AromaticContact NE2-CE1 3.53Å; A127-Y270 WeakPolarHBondContact CA-OH 3.39Å; A127-Y270 HydrophobicContact CB-CE1 4.34Å; A127-Y270 PolarHBondContact N-OH 2.74Å; I129-Y270 HydrophobicContact CD1-CD2 4.08Å; I129-Y270 HydrophobicContact CD1-CG 4.09Å; I129-Y270 HydrophobicContact CG2-CD1 4.1Å; I129-Y270 HydrophobicContact CG2-CD2 4.23Å; I129-Y270 HydrophobicContact CG2-CE1 4.47Å; I129-Y270 HydrophobicContact CG2-CG 3.98Å; D215-Y270 HydrophobicContact CB-CE2 3.86Å; D215-Y270 VanDerWaalsContact CB-OH 3.24Å; D215-Y270 WeakPolarHBondContact CB-OH 3.47Å; D215-Y270 PolarHBondContact OD2-OH 3.39Å; T265-Y270 HydrophobicContact CG2-CD2 3.7Å; T265-Y270 HydrophobicContact CG2-CE2 3.47Å; T265-Y270 VanDerWaalsContact CG2-CE2 3.47Å; V267-Y270 PolarHBondContact O-N 3.07Å; T268-Y270 VanDerWaalsContact C-N 3.28Å; T268-Y270 PolarHBondContact O-N 3.33Å; Y270-D272 VanDerWaalsContact C-N 3.31Å; Y270-D272 PolarHBondContact O-N 3.12Å; Y270-W273 PolarHBondContact O-N 3Å; Y270-W273 VanDerWaalsContact O-N 3.16Å; Y270-I274 WeakPolarHBondContact O-CG1 3.39Å; Y270-I274 PolarHBondContact O-N 2.95Å
271	L	98.7	Very high	96.4	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-40.8	-176.4	-73.2	170.4	0	0	0	113.3	L149 P150 A152 V267 T268 W273 I274 H275	L149-L271 HydrophobicContact CB-CD2 4.03Å; L149-L271 HydrophobicContact CD1-CD2 4.34Å; P150-L271 VanDerWaalsContact O-CD1 3.25Å; P150-L271 WeakPolarHBondContact O-CD1 3.35Å; A152-L271 HydrophobicContact CB-CD1 4Å; V267-L271 HydrophobicContact CG1-CD2 4.1Å; V267-L271 PolarHBondContact O-N 3.34Å; T268-L271 HydrophobicContact CG2-CD1 4.26Å; L271-W273 VanDerWaalsContact C-N 3.35Å; L271-I274 PolarHBondContact O-N 3.47Å; L271-H275 WeakPolarHBondContact O-CB 3.46Å; L271-H275 VanDerWaalsContact O-CG 3.25Å; L271-H275 PolarHBondContact O-N 3.01Å; L271-H275 PolarHBondContact O-ND1 2.95Å
272	D	98.4	Very high	94.1	Very high	139 Å²	139	58.8 Å²	58.8	74%	0.743	29%	0.285	S	S	*	.	H	α-helix	trans	-65.8	-40.3	179.8	-70.9	-19.9	0	0	0	111.5	Y270 H275 H276	Y270-D272 VanDerWaalsContact C-N 3.31Å; Y270-D272 PolarHBondContact O-N 3.12Å; D272-H275 PolarHBondContact O-N 3.02Å; D272-H276 PolarHBondContact O-N 3.01Å
273	W	98.8	Very high	93.8	Very high	31 Å²	31	61.7 Å²	61.7	12%	0.117	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-43.3	174	175.7	86.6	0	0	0	111.5	I115 H117 I129 L131 Y270 L271 H275 H276 Y277	I115-W273 HydrophobicContact CG2-CZ2 3.92Å; H117-W273 HydrophobicContact CB-CZ2 4.16Å; H117-W273 AromaticContact CD2-CD1 3.61Å; H117-W273 AromaticContact CD2-CD2 3.57Å; H117-W273 AromaticContact CD2-CE2 3.68Å; H117-W273 AromaticContact CD2-CG 3.55Å; H117-W273 AromaticContact CD2-NE1 3.67Å; H117-W273 AromaticContact NE2-CD1 3.92Å; H117-W273 AromaticContact NE2-CG 3.96Å; I129-W273 HydrophobicContact CG1-CZ3 4.22Å; I129-W273 HydrophobicContact CG2-CE3 4.24Å; I129-W273 HydrophobicContact CG2-CH2 4.4Å; I129-W273 HydrophobicContact CG2-CZ3 3.95Å; L131-W273 HydrophobicContact CB-CH2 4.3Å; L131-W273 HydrophobicContact CD1-CE3 4.4Å; L131-W273 HydrophobicContact CD1-CH2 3.83Å; L131-W273 HydrophobicContact CD1-CZ2 4.44Å; L131-W273 HydrophobicContact CD1-CZ3 3.81Å; L131-W273 HydrophobicContact CG-CH2 3.67Å; L131-W273 HydrophobicContact CG-CZ3 3.7Å; Y270-W273 PolarHBondContact O-N 3Å; Y270-W273 VanDerWaalsContact O-N 3.16Å; L271-W273 VanDerWaalsContact C-N 3.35Å; W273-H275 PolarHBondContact O-N 3.06Å; W273-H276 WeakPolarHBondContact O-CB 3.25Å; W273-H276 PolarHBondContact O-N 3.28Å; W273-Y277 AromaticContact CD1-CE2 3.96Å; W273-Y277 HydrophobicContact CD2-CE2 4.38Å; W273-Y277 AromaticContact CE2-CE2 3.82Å; W273-Y277 HydrophobicContact CG-CE2 4.46Å; W273-Y277 HydrophobicContact CZ2-CE2 4.27Å; W273-Y277 AromaticContact NE1-CE2 3.54Å; W273-Y277 VanDerWaalsContact O-CD2 3.26Å; W273-Y277 WeakPolarHBondContact O-CD2 3.48Å
274	I	98.8	Very high	93.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-49.6	175.9	-65.4	166.9	0	0	0	110.1	I71 L77 I129 L149 V267 Y270 L271 H276 Y277 V278	I71-I274 HydrophobicContact CD1-CG2 3.86Å; L77-I274 HydrophobicContact CD1-CD1 4.24Å; L77-I274 HydrophobicContact CD1-CG1 4.45Å; L77-I274 HydrophobicContact CD2-CD1 4.34Å; I129-I274 HydrophobicContact CD1-CD1 4.15Å; L149-I274 HydrophobicContact CD1-CD1 4.45Å; L149-I274 HydrophobicContact CD1-CG2 3.78Å; V267-I274 HydrophobicContact CG1-CD1 4.32Å; Y270-I274 WeakPolarHBondContact O-CG1 3.39Å; Y270-I274 PolarHBondContact O-N 2.95Å; L271-I274 PolarHBondContact O-N 3.47Å; I274-H276 PolarHBondContact O-N 3.38Å; I274-Y277 PolarHBondContact O-N 3.14Å; I274-Y277 VanDerWaalsContact O-N 3.15Å; I274-V278 HydrophobicContact CG2-CB 4.18Å; I274-V278 HydrophobicContact CG2-CG2 4.01Å; I274-V278 WeakPolarHBondContact O-CB 3.28Å; I274-V278 WeakPolarHBondContact O-CG2 3.34Å; I274-V278 PolarHBondContact O-N 3.43Å
275	H	98.3	Very high	93.3	Very high	62 Å²	62	68.6 Å²	68.6	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-72.4	-11.7	-177.8	-65.6	137.1	0	0	0	114.5	L271 D272 W273 K280	L271-H275 WeakPolarHBondContact O-CB 3.46Å; L271-H275 VanDerWaalsContact O-CG 3.25Å; L271-H275 PolarHBondContact O-N 3.01Å; L271-H275 PolarHBondContact O-ND1 2.95Å; D272-H275 PolarHBondContact O-N 3.02Å; W273-H275 PolarHBondContact O-N 3.06Å; H275-K280 HydrophobicContact CB-CG 4.45Å
276	H	98.4	Very high	92.9	Very high	145 Å²	145	72.4 Å²	72.4	67%	0.671	35%	0.35	S	S	*	.	H	α-helix	trans	-65.6	-32.1	169.5	-178.1	75.8	0	0	0	111.6	D272 W273 I274	D272-H276 PolarHBondContact O-N 3.01Å; W273-H276 WeakPolarHBondContact O-CB 3.25Å; W273-H276 PolarHBondContact O-N 3.28Å; I274-H276 PolarHBondContact O-N 3.38Å
277	Y	98.4	Very high	92.5	Very high	73 Å²	73	74.5 Å²	74.5	29%	0.286	36%	0.363	S	S	.	.	H	α-helix	trans	-107.1	-39.6	-178.7	-56.8	-78.3	0	0	0	113	W75 I115 L131 W273 I274	W75-Y277 WeakPolarHBondContact CZ2-O 3.46Å; I115-Y277 HydrophobicContact CD1-CD1 3.43Å; I115-Y277 VanDerWaalsContact CD1-CD1 3.43Å; I115-Y277 HydrophobicContact CD1-CD2 4.36Å; I115-Y277 HydrophobicContact CD1-CE1 3.75Å; I115-Y277 HydrophobicContact CD1-CG 3.76Å; I115-Y277 HydrophobicContact CG2-CD2 4.45Å; I115-Y277 HydrophobicContact CG2-CE1 4.13Å; I115-Y277 HydrophobicContact CG2-CE2 3.95Å; L131-Y277 HydrophobicContact CD1-CD2 3.85Å; L131-Y277 HydrophobicContact CD1-CG 4.22Å; W273-Y277 AromaticContact CD1-CE2 3.96Å; W273-Y277 HydrophobicContact CD2-CE2 4.38Å; W273-Y277 AromaticContact CE2-CE2 3.82Å; W273-Y277 HydrophobicContact CG-CE2 4.46Å; W273-Y277 HydrophobicContact CZ2-CE2 4.27Å; W273-Y277 AromaticContact NE1-CE2 3.54Å; W273-Y277 VanDerWaalsContact O-CD2 3.26Å; W273-Y277 WeakPolarHBondContact O-CD2 3.48Å; I274-Y277 PolarHBondContact O-N 3.14Å; I274-Y277 VanDerWaalsContact O-N 3.15Å
278	V	98.1	Very high	92.1	Very high	6 Å²	6	79.5 Å²	79.5	4%	0.036	39%	0.387	C	S	.	.	S	Bend	trans	-96	123	-172.6	-172.1	0	0	0	0	110.2	I71 H72 W75 L131 I274 K280	I71-V278 HydrophobicContact CD1-CG1 4.28Å; I71-V278 HydrophobicContact CD1-CG2 3.99Å; H72-V278 HydrophobicContact CB-CG1 3.69Å; W75-V278 HydrophobicContact CB-CG1 4.17Å; W75-V278 HydrophobicContact CB-CG2 3.99Å; W75-V278 HydrophobicContact CD2-CG2 3.76Å; W75-V278 HydrophobicContact CE3-CG2 4.04Å; W75-V278 HydrophobicContact CG-CB 4.39Å; W75-V278 HydrophobicContact CG-CG1 4.04Å; W75-V278 HydrophobicContact CG-CG2 3.74Å; L131-V278 HydrophobicContact CD1-CG2 3.92Å; L131-V278 HydrophobicContact CD2-CG2 3.94Å; I274-V278 HydrophobicContact CG2-CB 4.18Å; I274-V278 HydrophobicContact CG2-CG2 4.01Å; I274-V278 WeakPolarHBondContact O-CB 3.28Å; I274-V278 WeakPolarHBondContact O-CG2 3.34Å; I274-V278 PolarHBondContact O-N 3.43Å; V278-K280 PolarHBondContact O-N 3.41Å
279	P	94.7	Very high	91.7	Very high	67 Å²	67	83.5 Å²	83.5	44%	0.435	41%	0.405	S	S	.	.			trans	-57	136.4	175.6	-25.4	35	0	0	0	112.4	K281	P279-K281 WeakPolarHBondContact CB-O 3.45Å; P279-K281 PolarHBondContact O-N 3.43Å; P279-K281 VanDerWaalsContact O-N 3.17Å
280	K	81.8	Confident	91.1	Very high	164 Å²	164	79.7 Å²	79.7	71%	0.713	40%	0.396	S	S	*	.	S	Bend	trans	-64.5	-17.8	179.2	-75.2	-175.2	177.5	179.9	0	113.9	H275 V278	H275-K280 HydrophobicContact CB-CG 4.45Å; V278-K280 PolarHBondContact O-N 3.41Å
281	K	71.1	Confident	90.5	Very high	177 Å²	177	85.6 Å²	85.6	77%	0.77	43%	0.426	S	S	*	.			trans	-146.4	139	170.7	-63	-176.8	-178.5	178.2	0	107.6	P279	P279-K281 WeakPolarHBondContact CB-O 3.45Å; P279-K281 PolarHBondContact O-N 3.43Å; P279-K281 VanDerWaalsContact O-N 3.17Å
282	P	49.9	Very low	89.7	Confident	154 Å²	154	92.5 Å²	92.5	100%	1	46%	0.46	S	S	*	.			trans	-62.4	0	163.2	28.2	-32.2	0	0	0	111.2	P73	P73-P282 HydrophobicContact CG-CB 4.16Å

Retrieved 282 of 282 residues in 264.4 ms (Link to these results)

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