Q95PM1_SCHMA Loading...

Cathepsin B-like cysteine proteinase

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB , UniProt , Accession Q95PM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene cb2, Length 347 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	44.2	Very low	59.8	Low	247 Å²	247	135.3 Å²	135.3	100%	1.217	68%	0.676	S	S	*	*				0	131.6	0	-86	159.6	61.1	0	0	108.4
2	N	47.7	Very low	59.9	Low	122 Å²	122	137.3 Å²	137.3	65%	0.652	67%	0.672	S	S	*	*			trans	-67.4	131.7	-149.2	-91.6	-27.5	0	0	0	116.3	Y4 S5	N2-Y4 HydrophobicContact CB-CD2 4.29Å; N2-Y4 PolarHBondContact O-N 3.3Å; N2-Y4 VanDerWaalsContact O-N 3.09Å; N2-S5 WeakPolarHBondContact O-CB 3.47Å; N2-S5 PolarHBondContact O-N 2.79Å
3	Q	51.9	Low	60.5	Low	154 Å²	154	133.5 Å²	133.5	72%	0.72	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-23.4	168.3	-154.3	170.1	11.4	0	0	112.8	S5 C6 Y7	Q3-S5 PolarHBondContact O-N 3.03Å; Q3-C6 PolarHBondContact O-N 2.86Å; Q3-Y7 WeakPolarHBondContact O-CD2 3.47Å
4	Y	54.7	Low	60.7	Low	175 Å²	175	131.8 Å²	131.8	69%	0.686	65%	0.648	S	S	*	*	H	α-helix	trans	-60.3	-25.8	172.9	-69.9	-82.6	0	0	0	114.4	N2 L8	N2-Y4 HydrophobicContact CB-CD2 4.29Å; N2-Y4 PolarHBondContact O-N 3.3Å; N2-Y4 VanDerWaalsContact O-N 3.09Å; Y4-L8 PolarHBondContact O-N 3.16Å
5	S	64.3	Low	60.7	Low	89 Å²	89	127.8 Å²	127.8	62%	0.622	63%	0.63	S	S	*	*	H	α-helix	trans	-68.9	-35.1	-179.6	-164.3	0	0	0	0	112.5	N2 Q3 L9	N2-S5 WeakPolarHBondContact O-CB 3.47Å; N2-S5 PolarHBondContact O-N 2.79Å; Q3-S5 PolarHBondContact O-N 3.03Å; S5-L9 PolarHBondContact O-N 2.94Å
6	C	62.6	Low	60.4	Low	88 Å²	88	127.1 Å²	127.1	60%	0.595	63%	0.628	S	S	*	*	H	α-helix	trans	-69.5	-39.1	178.7	-83.3	0	0	0	0	112.7	Q3 L9 Q10	Q3-C6 PolarHBondContact O-N 2.86Å; C6-L9 PolarHBondContact O-N 2.8Å; C6-Q10 PolarHBondContact O-N 3.3Å
7	Y	63.4	Low	60.2	Low	148 Å²	148	126.2 Å²	126.2	58%	0.58	63%	0.626	S	S	*	*	H	α-helix	trans	-67.8	-38.7	-178.9	-76.9	-76.1	0	0	0	112.4	Q3 L9 Q10 L11	Q3-Y7 WeakPolarHBondContact O-CD2 3.47Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.08Å; Y7-Q10 PolarHBondContact O-N 3.05Å; Y7-L11 PolarHBondContact O-N 2.79Å
8	L	67.1	Low	59.7	Low	119 Å²	119	121.8 Å²	121.8	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-64.2	-38.8	175.2	-84.2	156.8	0	0	0	112.1	Y4 L11 Y12	Y4-L8 PolarHBondContact O-N 3.16Å; L8-L11 PolarHBondContact O-N 2.04Å; L8-Y12 PolarHBondContact O-N 3.49Å; L8-Y12 VanDerWaalsContact O-N 3.09Å
9	L	70.5	Confident	59.2	Low	117 Å²	117	123.1 Å²	123.1	61%	0.613	61%	0.607	S	S	*	*	H	α-helix	trans	-67.3	-41.7	177.4	-150.9	83.2	0	0	0	111.7	S5 C6 Y7 Y12 I13	S5-L9 PolarHBondContact O-N 2.94Å; C6-L9 PolarHBondContact O-N 2.8Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.08Å; L9-Y12 PolarHBondContact O-N 3.17Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.02Å; L9-I13 PolarHBondContact O-N 2.6Å; L9-I13 VanDerWaalsContact O-N 3.08Å
10	Q	65.9	Low	58.7	Low	118 Å²	118	118.8 Å²	118.8	55%	0.551	60%	0.597	S	S	*	*	H	α-helix	trans	-64.2	-42.1	176	-79.5	-176.7	-26.6	0	0	112.2	C6 Y7 Y12 I13 I14	C6-Q10 PolarHBondContact O-N 3.3Å; Y7-Q10 PolarHBondContact O-N 3.05Å; Q10-Y12 VanDerWaalsContact C-N 3.35Å; Q10-Y12 PolarHBondContact O-N 3.42Å; Q10-I13 PolarHBondContact O-N 3.38Å; Q10-I14 VanDerWaalsContact O-CG1 3.32Å; Q10-I14 WeakPolarHBondContact O-CG1 3.09Å; Q10-I14 PolarHBondContact O-N 2.97Å
11	L	65.3	Low	58.2	Low	111 Å²	111	116.5 Å²	116.5	58%	0.581	59%	0.589	S	S	*	*	H	α-helix	trans	-63.2	-42	177.2	-124.9	106.3	0	0	0	111.6	Y7 L8 I13 I14 I15	Y7-L11 PolarHBondContact O-N 2.79Å; L8-L11 PolarHBondContact O-N 2.04Å; L11-I13 PolarHBondContact O-N 2.78Å; L11-I14 PolarHBondContact O-N 2.79Å; L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 WeakPolarHBondContact O-CB 3.34Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 3.37Å
12	Y	61.6	Low	58.3	Low	160 Å²	160	109.7 Å²	109.7	63%	0.627	56%	0.557	S	S	*	*	H	α-helix	trans	-63	-40.1	177.1	-111.4	-91.3	0	0	0	112.6	L8 L9 Q10 I15 L16	L8-Y12 PolarHBondContact O-N 3.49Å; L8-Y12 VanDerWaalsContact O-N 3.09Å; L9-Y12 PolarHBondContact O-N 3.17Å; Q10-Y12 VanDerWaalsContact C-N 3.35Å; Q10-Y12 PolarHBondContact O-N 3.42Å; Y12-I15 PolarHBondContact O-N 2.94Å; Y12-L16 WeakPolarHBondContact O-CB 3.45Å; Y12-L16 VanDerWaalsContact O-CG 3.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.48Å; Y12-L16 PolarHBondContact O-N 3.39Å
13	I	67.6	Low	58.1	Low	87 Å²	87	109.5 Å²	109.5	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-66.6	-43.1	177.3	-67.6	166.1	0	0	0	110.8	L9 Q10 L11 I15 L16 L17	L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.02Å; L9-I13 PolarHBondContact O-N 2.6Å; L9-I13 VanDerWaalsContact O-N 3.08Å; Q10-I13 PolarHBondContact O-N 3.38Å; L11-I13 PolarHBondContact O-N 2.78Å; I13-I15 VanDerWaalsContact C-N 3.33Å; I13-I15 PolarHBondContact O-N 2.96Å; I13-L16 PolarHBondContact O-N 3.12Å; I13-L17 HydrophobicContact CG2-CD1 3.82Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 2.85Å
14	I	63.7	Low	57.8	Low	110 Å²	110	108 Å²	108	56%	0.564	55%	0.549	S	S	*	.	H	α-helix	trans	-63	-42.2	177.6	-66.8	165.6	0	0	0	110.6	Q10 L11 L17 S18	Q10-I14 VanDerWaalsContact O-CG1 3.32Å; Q10-I14 WeakPolarHBondContact O-CG1 3.09Å; Q10-I14 PolarHBondContact O-N 2.97Å; L11-I14 PolarHBondContact O-N 2.79Å; I14-L17 PolarHBondContact O-N 2.03Å; I14-S18 WeakPolarHBondContact O-CB 3.48Å; I14-S18 PolarHBondContact O-N 3.13Å; I14-S18 PolarHBondContact O-OG 3.45Å
15	I	59.5	Low	57.2	Low	72 Å²	72	104.9 Å²	104.9	37%	0.369	54%	0.543	S	S	.	.	H	α-helix	trans	-62.6	-46.8	176.5	-70.2	169.9	0	0	0	110.4	L11 Y12 I13 L17 S18 Y19	L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 WeakPolarHBondContact O-CB 3.34Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.43Å; L11-I15 PolarHBondContact O-N 3.37Å; Y12-I15 PolarHBondContact O-N 2.94Å; I13-I15 VanDerWaalsContact C-N 3.33Å; I13-I15 PolarHBondContact O-N 2.96Å; I15-L17 PolarHBondContact O-N 2.69Å; I15-S18 WeakPolarHBondContact CA-OG 3.49Å; I15-S18 PolarHBondContact O-N 2.99Å; I15-S18 VanDerWaalsContact O-N 3.16Å; I15-S18 PolarHBondContact O-OG 3.09Å; I15-Y19 HydrophobicContact CG2-CD2 3.51Å; I15-Y19 HydrophobicContact CG2-CE2 3.31Å; I15-Y19 WeakPolarHBondContact O-CD2 3.3Å; I15-Y19 PolarHBondContact O-N 3.16Å
16	L	57	Low	56.1	Low	116 Å²	116	105.9 Å²	105.9	61%	0.607	54%	0.541	S	S	*	.	H	α-helix	trans	-63.2	-38.4	177.2	-74.5	166.9	0	0	0	112.8	Y12 I13 S18 Y19 G20	Y12-L16 WeakPolarHBondContact O-CB 3.45Å; Y12-L16 VanDerWaalsContact O-CG 3.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.48Å; Y12-L16 PolarHBondContact O-N 3.39Å; I13-L16 PolarHBondContact O-N 3.12Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-Y19 PolarHBondContact O-N 3.24Å; L16-G20 PolarHBondContact O-N 2.91Å
17	L	56.1	Low	55.3	Low	112 Å²	112	105.2 Å²	105.2	59%	0.586	54%	0.542	S	S	*	.	H	α-helix	trans	-65.7	-37.8	173.9	-70.8	170	0	0	0	111.4	I13 I14 I15 T21	I13-L17 HydrophobicContact CG2-CD1 3.82Å; I13-L17 HydrophobicContact CG2-CG 4.29Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 2.85Å; I14-L17 PolarHBondContact O-N 2.03Å; I15-L17 PolarHBondContact O-N 2.69Å; L17-T21 WeakPolarHBondContact O-CB 3.27Å; L17-T21 VanDerWaalsContact O-CG2 3.29Å; L17-T21 WeakPolarHBondContact O-CG2 3.35Å; L17-T21 PolarHBondContact O-N 3.28Å; L17-T21 PolarHBondContact O-OG1 3.14Å
18	S	52.4	Low	54.5	Low	47 Å²	47	107.9 Å²	107.9	33%	0.329	55%	0.551	S	S	.	*	H	α-helix	trans	-67.8	-40.4	175.9	72.7	0	0	0	0	112.9	I14 I15 L16 T21 L22	I14-S18 WeakPolarHBondContact O-CB 3.48Å; I14-S18 PolarHBondContact O-N 3.13Å; I14-S18 PolarHBondContact O-OG 3.45Å; I15-S18 WeakPolarHBondContact CA-OG 3.49Å; I15-S18 PolarHBondContact O-N 2.99Å; I15-S18 VanDerWaalsContact O-N 3.16Å; I15-S18 PolarHBondContact O-OG 3.09Å; L16-S18 VanDerWaalsContact C-N 3.34Å; S18-T21 WeakPolarHBondContact CA-OG1 3.5Å; S18-T21 PolarHBondContact O-OG1 3.26Å; S18-T21 VanDerWaalsContact O-OG1 3.04Å; S18-L22 WeakPolarHBondContact O-CB 3.42Å; S18-L22 WeakPolarHBondContact O-CD1 3.49Å; S18-L22 VanDerWaalsContact O-CG 3.23Å; S18-L22 WeakPolarHBondContact O-CG 3.03Å; S18-L22 PolarHBondContact O-N 3.46Å
19	Y	50.1	Low	53.6	Low	146 Å²	146	112 Å²	112	57%	0.573	56%	0.559	S	S	*	*	H	α-helix	trans	-71.8	-36.7	175.3	-76.7	-68.1	0	0	0	112.7	I15 L16 N23	I15-Y19 HydrophobicContact CG2-CD2 3.51Å; I15-Y19 HydrophobicContact CG2-CE2 3.31Å; I15-Y19 WeakPolarHBondContact O-CD2 3.3Å; I15-Y19 PolarHBondContact O-N 3.16Å; L16-Y19 PolarHBondContact O-N 3.24Å; Y19-N23 WeakPolarHBondContact O-CB 3.23Å; Y19-N23 PolarHBondContact O-N 3.27Å; Y19-N23 VanDerWaalsContact O-N 3.14Å; Y19-N23 PolarHBondContact O-ND2 3.45Å
20	G	47.7	Very low	52.8	Low	38 Å²	38	114.4 Å²	114.4	39%	0.392	57%	0.566	S	S	.	*	H	α-helix	trans	-64.9	-40.1	175.2	0	0	0	0	0	112.4	L16 E24	L16-G20 PolarHBondContact O-N 2.91Å; G20-E24 PolarHBondContact O-N 3.28Å
21	T	49.6	Very low	52.6	Low	71 Å²	71	114.2 Å²	114.2	44%	0.436	56%	0.564	S	S	.	*	H	α-helix	trans	-73.4	-40.2	176.9	49.1	0	0	0	0	112.7	L17 S18 E24 I25	L17-T21 WeakPolarHBondContact O-CB 3.27Å; L17-T21 VanDerWaalsContact O-CG2 3.29Å; L17-T21 WeakPolarHBondContact O-CG2 3.35Å; L17-T21 PolarHBondContact O-N 3.28Å; L17-T21 PolarHBondContact O-OG1 3.14Å; S18-T21 WeakPolarHBondContact CA-OG1 3.5Å; S18-T21 PolarHBondContact O-OG1 3.26Å; S18-T21 VanDerWaalsContact O-OG1 3.04Å; T21-E24 PolarHBondContact O-N 3.44Å; T21-I25 VanDerWaalsContact O-CB 3.3Å; T21-I25 WeakPolarHBondContact O-CB 3.07Å; T21-I25 VanDerWaalsContact O-CD1 3.26Å; T21-I25 WeakPolarHBondContact O-CD1 3.4Å; T21-I25 WeakPolarHBondContact O-CG1 3.13Å; T21-I25 PolarHBondContact O-N 2.86Å
22	L	45.2	Very low	52.8	Low	103 Å²	103	116.1 Å²	116.1	54%	0.539	56%	0.563	S	S	.	*	H	α-helix	trans	-63.7	-43.4	177.5	-76.8	164.9	0	0	0	112.3	S18 I25 D26	S18-L22 WeakPolarHBondContact O-CB 3.42Å; S18-L22 WeakPolarHBondContact O-CD1 3.49Å; S18-L22 VanDerWaalsContact O-CG 3.23Å; S18-L22 WeakPolarHBondContact O-CG 3.03Å; S18-L22 PolarHBondContact O-N 3.46Å; L22-I25 PolarHBondContact O-N 2.02Å; L22-D26 PolarHBondContact O-N 3.22Å
23	N	43.8	Very low	53.7	Low	118 Å²	118	115.3 Å²	115.3	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-70.4	-34.6	179.4	-75.4	-23.2	0	0	0	113.1	Y19 A27	Y19-N23 WeakPolarHBondContact O-CB 3.23Å; Y19-N23 PolarHBondContact O-N 3.27Å; Y19-N23 VanDerWaalsContact O-N 3.14Å; Y19-N23 PolarHBondContact O-ND2 3.45Å; N23-A27 WeakPolarHBondContact O-CB 3.32Å; N23-A27 PolarHBondContact O-N 3.46Å
24	E	45.3	Very low	54.7	Low	123 Å²	123	113.2 Å²	113.2	58%	0.575	55%	0.554	S	S	*	*	H	α-helix	trans	-72	-33.1	173.2	-82.7	-168.7	158.3	0	0	112.9	G20 T21 R28	G20-E24 PolarHBondContact O-N 3.28Å; T21-E24 PolarHBondContact O-N 3.44Å; E24-R28 WeakPolarHBondContact O-CG 3.19Å; E24-R28 PolarHBondContact O-N 3.34Å
25	I	43.3	Very low	55.9	Low	110 Å²	110	114.9 Å²	114.9	56%	0.564	56%	0.559	S	S	*	*	H	α-helix	trans	-71	-40.4	178.4	-69.7	165	0	0	0	110.9	T21 L22	T21-I25 VanDerWaalsContact O-CB 3.3Å; T21-I25 WeakPolarHBondContact O-CB 3.07Å; T21-I25 VanDerWaalsContact O-CD1 3.26Å; T21-I25 WeakPolarHBondContact O-CD1 3.4Å; T21-I25 WeakPolarHBondContact O-CG1 3.13Å; T21-I25 PolarHBondContact O-N 2.86Å; L22-I25 PolarHBondContact O-N 2.02Å
26	D	40.7	Very low	57.5	Low	109 Å²	109	112.8 Å²	112.8	58%	0.583	55%	0.55	S	S	*	*	H	α-helix	trans	-71.8	-38.8	177.8	-103.1	-14.1	0	0	0	112.6	L22 R28 R29	L22-D26 PolarHBondContact O-N 3.22Å; D26-R28 VanDerWaalsContact C-N 3.28Å; D26-R28 PolarHBondContact O-N 2.91Å; D26-R29 PolarHBondContact O-N 3.27Å; D26-R29 VanDerWaalsContact O-N 3.08Å
27	A	45.1	Very low	59.2	Low	75 Å²	75	109.2 Å²	109.2	62%	0.62	53%	0.531	S	S	*	.	H	α-helix	trans	-65.9	-28.7	177	0	0	0	0	0	113.2	N23 R29	N23-A27 WeakPolarHBondContact O-CB 3.32Å; N23-A27 PolarHBondContact O-N 3.46Å; A27-R29 VanDerWaalsContact C-N 3.29Å; A27-R29 PolarHBondContact O-N 2.98Å
28	R	47.2	Very low	61.1	Low	203 Å²	203	104.7 Å²	104.7	77%	0.766	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-16.4	173.7	-77	179.9	-172.1	-168.2	5.7	113.5	E24 D26	E24-R28 WeakPolarHBondContact O-CG 3.19Å; E24-R28 PolarHBondContact O-N 3.34Å; D26-R28 VanDerWaalsContact C-N 3.28Å; D26-R28 PolarHBondContact O-N 2.91Å
29	R	49	Very low	63.2	Low	207 Å²	207	107.2 Å²	107.2	78%	0.781	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.1	-171.6	-148.9	176.4	-177.8	-173.8	-0	114.3	D26 A27 K31	D26-R29 PolarHBondContact O-N 3.27Å; D26-R29 VanDerWaalsContact O-N 3.08Å; A27-R29 VanDerWaalsContact C-N 3.29Å; A27-R29 PolarHBondContact O-N 2.98Å; R29-K31 VanDerWaalsContact C-N 3.3Å; R29-K31 PolarHBondContact O-N 3.43Å
30	H	52.1	Low	65.4	Low	167 Å²	167	106 Å²	106	77%	0.773	52%	0.516	S	S	*	.	S	Bend	trans	-73.3	89	163.6	-74.1	-64.4	0	0	0	108.9	R32	H30-R32 PolarHBondContact O-N 3.36Å
31	K	61.7	Low	67.7	Low	113 Å²	113	104.2 Å²	104.2	49%	0.491	50%	0.498	S	S	.	.			trans	-45.2	117.8	164	-89.1	-176.3	167	-173.4	0	107.1	R29 M33 H282	R29-K31 VanDerWaalsContact C-N 3.3Å; R29-K31 PolarHBondContact O-N 3.43Å; K31-M33 PolarHBondContact O-N 3.29Å; K31-H282 PolarHBondContact NZ-CD2 3.23Å; K31-H282 PolarHBondContact NZ-NE2 3.17Å; K31-H282 VanDerWaalsContact NZ-NE2 3.17Å; K31-H282 PolarHBondContact NZ-O 3.3Å
32	R	69.2	Low	70	Confident	151 Å²	151	101 Å²	101	57%	0.57	48%	0.478	S	S	*	.			trans	-54.7	117.8	177.3	-73.5	-174.8	-179.4	172.4	4	107.9	H30 Y34 E48 S284	H30-R32 PolarHBondContact O-N 3.36Å; R32-Y34 HydrophobicContact CB-CD2 4.38Å; R32-Y34 HydrophobicContact CB-CE2 3.65Å; R32-Y34 WeakPolarHBondContact CD-OH 3.2Å; R32-Y34 PolarHBondContact NH1-OH 3.02Å; R32-E48 IonicContact NH1-OE2 2.72Å; R32-E48 PolarHBondContact NH1-OE2 3.2Å; R32-S284 PolarHBondContact O-OG 2.89Å
33	M	80.7	Confident	72.5	Confident	143 Å²	143	99.5 Å²	99.5	70%	0.704	47%	0.471	S	S	*	.			trans	-89.6	108.8	176.9	-76.7	-179.2	63.2	0	0	108.8	K31 A286	K31-M33 PolarHBondContact O-N 3.29Å; M33-A286 HydrophobicContact CE-CB 4.16Å
34	Y	88.8	Confident	75.1	Confident	44 Å²	44	95.2 Å²	95.2	17%	0.173	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-92.4	155.4	169.5	-59.8	-83	0	0	0	110.2	R32 E40 L41 F44 S284	R32-Y34 HydrophobicContact CB-CD2 4.38Å; R32-Y34 HydrophobicContact CB-CE2 3.65Å; R32-Y34 WeakPolarHBondContact CD-OH 3.2Å; R32-Y34 PolarHBondContact NH1-OH 3.02Å; Y34-E40 HydrophobicContact CD1-CB 3.83Å; Y34-E40 HydrophobicContact CE1-CB 4.35Å; Y34-L41 HydrophobicContact CD2-CD1 4.22Å; Y34-L41 HydrophobicContact CG-CB 4.41Å; Y34-L41 HydrophobicContact CG-CD1 4.47Å; Y34-F44 HydrophobicContact CD2-CB 3.98Å; Y34-F44 AromaticContact CD2-CD1 3.88Å; Y34-F44 HydrophobicContact CD2-CD1 3.88Å; Y34-F44 AromaticContact CD2-CG 3.89Å; Y34-F44 HydrophobicContact CD2-CG 3.89Å; Y34-F44 HydrophobicContact CE1-CB 4.45Å; Y34-F44 HydrophobicContact CE2-CB 3.47Å; Y34-F44 VanDerWaalsContact CE2-CB 3.47Å; Y34-F44 AromaticContact CE2-CD1 3.52Å; Y34-F44 HydrophobicContact CE2-CD1 3.52Å; Y34-F44 AromaticContact CE2-CD2 3.51Å; Y34-F44 HydrophobicContact CE2-CD2 3.51Å; Y34-F44 HydrophobicContact CE2-CE1 4.12Å; Y34-F44 HydrophobicContact CE2-CE2 4.11Å; Y34-F44 AromaticContact CE2-CG 3.17Å; Y34-F44 HydrophobicContact CE2-CG 3.17Å; Y34-F44 HydrophobicContact CE2-CZ 4.38Å; Y34-F44 AromaticContact CZ-CD2 3.83Å; Y34-F44 AromaticContact CZ-CG 3.76Å; Y34-F44 WeakPolarHBondContact OH-CD2 3.46Å; Y34-S284 WeakPolarHBondContact CD2-OG 3.25Å
35	Q	89.9	Confident	77.5	Confident	145 Å²	145	89.5 Å²	89.5	68%	0.678	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-65.2	136.7	175.6	-67.8	-60.8	-40.3	0	0	109.6	S38	Q35-S38 VanDerWaalsContact O-CB 3.25Å; Q35-S38 WeakPolarHBondContact O-CB 3.12Å; Q35-S38 PolarHBondContact O-N 3.28Å; Q35-S38 PolarHBondContact O-OG 3.16Å
36	P	92.2	Very high	80.2	Confident	28 Å²	28	85.6 Å²	85.6	18%	0.182	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	146.8	174.7	-18.1	29.1	0	0	0	110.5	S38 V64 A270	P36-S38 PolarHBondContact O-N 3.15Å; P36-V64 HydrophobicContact CB-CG2 3.77Å; P36-V64 HydrophobicContact CG-CG2 3.59Å; P36-A270 HydrophobicContact CB-CB 3.86Å; P36-A270 HydrophobicContact CG-CB 3.59Å
37	L	93.1	Very high	82.9	Confident	40 Å²	40	89.1 Å²	89.1	21%	0.209	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	4.7	179	-50.3	174.6	0	0	0	115.6	T58 F61 R62 I67 P273 N274	L37-T58 HydrophobicContact CD2-CG2 3.49Å; L37-T58 VanDerWaalsContact CD2-CG2 3.49Å; L37-F61 HydrophobicContact CD1-CB 4.22Å; L37-F61 HydrophobicContact CD2-CB 4.2Å; L37-R62 VanDerWaalsContact CD1-C 3.41Å; L37-R62 VanDerWaalsContact CD1-O 3.32Å; L37-R62 WeakPolarHBondContact CD1-O 3.4Å; L37-I67 HydrophobicContact CD1-CD1 4Å; L37-I67 HydrophobicContact CD2-CD1 4.04Å; L37-I67 HydrophobicContact CG-CD1 4.02Å; L37-P273 HydrophobicContact CD2-CB 4.12Å; L37-N274 WeakPolarHBondContact CA-OD1 3.45Å
38	S	95.2	Very high	85.3	Confident	18 Å²	18	90.9 Å²	90.9	13%	0.126	40%	0.402	C	S	.	.			trans	-80	152.4	-179.3	69.7	0	0	0	0	113	Q35 P36 E40 L41 I42	Q35-S38 VanDerWaalsContact O-CB 3.25Å; Q35-S38 WeakPolarHBondContact O-CB 3.12Å; Q35-S38 PolarHBondContact O-N 3.28Å; Q35-S38 PolarHBondContact O-OG 3.16Å; P36-S38 PolarHBondContact O-N 3.15Å; S38-E40 WeakPolarHBondContact CB-OE2 3.44Å; S38-E40 PolarHBondContact O-N 2.77Å; S38-L41 PolarHBondContact O-N 3.21Å; S38-L41 WeakPolarHBondContact OG-CB 3.39Å; S38-L41 PolarHBondContact OG-N 3.35Å; S38-L41 VanDerWaalsContact OG-N 3.14Å; S38-I42 WeakPolarHBondContact O-CG1 3.48Å; S38-I42 PolarHBondContact O-N 3.2Å
39	M	96.5	Very high	87.6	Confident	99 Å²	99	82.2 Å²	82.2	49%	0.488	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-29.2	172.7	-74.1	-56.4	-55.1	0	0	111.8	I42 N43 P57	M39-I42 PolarHBondContact O-N 3.06Å; M39-I42 HydrophobicContact SD-CD1 3.88Å; M39-N43 WeakPolarHBondContact O-CB 3.24Å; M39-N43 PolarHBondContact O-N 2.82Å; M39-N43 PolarHBondContact O-ND2 3.49Å; M39-P57 HydrophobicContact SD-CG 4.01Å
40	E	96.4	Very high	89.8	Confident	121 Å²	121	80.3 Å²	80.3	57%	0.565	38%	0.379	S	S	*	.	H	α-helix	trans	-61.8	-44.8	174	-65.3	84.6	172.5	0	0	111.7	Y34 S38 N43 F44	Y34-E40 HydrophobicContact CD1-CB 3.83Å; Y34-E40 HydrophobicContact CE1-CB 4.35Å; S38-E40 WeakPolarHBondContact CB-OE2 3.44Å; S38-E40 PolarHBondContact O-N 2.77Å; E40-N43 PolarHBondContact O-N 3Å; E40-F44 WeakPolarHBondContact O-CB 3.03Å; E40-F44 PolarHBondContact O-N 2.64Å
41	L	96.7	Very high	91.9	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.2	-47.6	175.5	177.3	57.1	0	0	0	111.3	Y34 S38 N43 F44 I45 D271	Y34-L41 HydrophobicContact CD2-CD1 4.22Å; Y34-L41 HydrophobicContact CG-CB 4.41Å; Y34-L41 HydrophobicContact CG-CD1 4.47Å; S38-L41 PolarHBondContact O-N 3.21Å; S38-L41 WeakPolarHBondContact OG-CB 3.39Å; S38-L41 PolarHBondContact OG-N 3.35Å; S38-L41 VanDerWaalsContact OG-N 3.14Å; L41-N43 PolarHBondContact O-N 2.64Å; L41-F44 WeakPolarHBondContact O-CB 3.47Å; L41-F44 PolarHBondContact O-N 2.72Å; L41-I45 HydrophobicContact CD1-CD1 3.77Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.83Å; L41-I45 WeakPolarHBondContact O-CD1 3.4Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 2.88Å; L41-D271 HydrophobicContact CD1-CB 4.18Å; L41-D271 HydrophobicContact CD2-CB 4.5Å
42	I	97.7	Very high	93.7	Very high	5 Å²	5	70.7 Å²	70.7	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-45.8	179.1	-68.1	163.5	0	0	0	111	S38 M39 I45 N46 A55 P57 N274	S38-I42 WeakPolarHBondContact O-CG1 3.48Å; S38-I42 PolarHBondContact O-N 3.2Å; M39-I42 PolarHBondContact O-N 3.06Å; M39-I42 HydrophobicContact SD-CD1 3.88Å; I42-I45 PolarHBondContact O-N 2.86Å; I42-N46 WeakPolarHBondContact O-CB 3.11Å; I42-N46 PolarHBondContact O-N 2.93Å; I42-N46 PolarHBondContact O-ND2 3.33Å; I42-A55 HydrophobicContact CB-CB 4.41Å; I42-A55 HydrophobicContact CG1-CB 4.27Å; I42-A55 HydrophobicContact CG2-CB 4.18Å; I42-P57 HydrophobicContact CD1-CB 4.45Å; I42-P57 HydrophobicContact CD1-CG 4Å; I42-N274 HydrophobicContact CG1-CB 4.3Å
43	N	97.8	Very high	95.1	Very high	71 Å²	71	63.6 Å²	63.6	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-43	178.5	-73.3	-22.5	0	0	0	111.5	M39 E40 L41 I45 N46 Y47	M39-N43 WeakPolarHBondContact O-CB 3.24Å; M39-N43 PolarHBondContact O-N 2.82Å; M39-N43 PolarHBondContact O-ND2 3.49Å; E40-N43 PolarHBondContact O-N 3Å; L41-N43 PolarHBondContact O-N 2.64Å; N43-I45 PolarHBondContact O-N 2.79Å; N43-N46 PolarHBondContact O-N 3.33Å; N43-Y47 HydrophobicContact CB-CD2 4.25Å; N43-Y47 WeakPolarHBondContact O-CB 3.33Å; N43-Y47 VanDerWaalsContact O-CD2 3.24Å; N43-Y47 WeakPolarHBondContact O-CD2 3.28Å; N43-Y47 PolarHBondContact O-N 3.06Å
44	F	97.4	Very high	95.9	Very high	28 Å²	28	61.6 Å²	61.6	12%	0.123	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-49.4	175.1	168.7	-104.5	0	0	0	111.4	Y34 E40 L41 N46 E48 A49 V283	Y34-F44 HydrophobicContact CD2-CB 3.98Å; Y34-F44 AromaticContact CD2-CD1 3.88Å; Y34-F44 HydrophobicContact CD2-CD1 3.88Å; Y34-F44 AromaticContact CD2-CG 3.89Å; Y34-F44 HydrophobicContact CD2-CG 3.89Å; Y34-F44 HydrophobicContact CE1-CB 4.45Å; Y34-F44 HydrophobicContact CE2-CB 3.47Å; Y34-F44 VanDerWaalsContact CE2-CB 3.47Å; Y34-F44 AromaticContact CE2-CD1 3.52Å; Y34-F44 HydrophobicContact CE2-CD1 3.52Å; Y34-F44 AromaticContact CE2-CD2 3.51Å; Y34-F44 HydrophobicContact CE2-CD2 3.51Å; Y34-F44 HydrophobicContact CE2-CE1 4.12Å; Y34-F44 HydrophobicContact CE2-CE2 4.11Å; Y34-F44 AromaticContact CE2-CG 3.17Å; Y34-F44 HydrophobicContact CE2-CG 3.17Å; Y34-F44 HydrophobicContact CE2-CZ 4.38Å; Y34-F44 AromaticContact CZ-CD2 3.83Å; Y34-F44 AromaticContact CZ-CG 3.76Å; Y34-F44 WeakPolarHBondContact OH-CD2 3.46Å; E40-F44 WeakPolarHBondContact O-CB 3.03Å; E40-F44 PolarHBondContact O-N 2.64Å; L41-F44 WeakPolarHBondContact O-CB 3.47Å; L41-F44 PolarHBondContact O-N 2.72Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 3.12Å; F44-E48 HydrophobicContact CD2-CB 3.61Å; F44-E48 HydrophobicContact CE2-CB 4.01Å; F44-E48 CarbonylContact O-C 3.55Å; F44-E48 WeakPolarHBondContact O-CA 3.03Å; F44-E48 WeakPolarHBondContact O-CB 3.46Å; F44-E48 PolarHBondContact O-N 2.9Å; F44-A49 HydrophobicContact CD1-CB 4.11Å; F44-A49 HydrophobicContact CE1-CB 3.66Å; F44-A49 HydrophobicContact CE2-CB 4.31Å; F44-A49 HydrophobicContact CZ-CB 3.77Å; F44-A49 PolarHBondContact O-N 3.03Å; F44-V283 HydrophobicContact CE1-CB 4.32Å; F44-V283 HydrophobicContact CE1-CG2 4.14Å
45	I	97.6	Very high	96.4	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-46.2	178.8	-68.5	154.2	0	0	0	110.9	L41 I42 N43 T51 W53 A55 D271 V283	L41-I45 HydrophobicContact CD1-CD1 3.77Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.83Å; L41-I45 WeakPolarHBondContact O-CD1 3.4Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 2.88Å; I42-I45 PolarHBondContact O-N 2.86Å; N43-I45 PolarHBondContact O-N 2.79Å; I45-T51 HydrophobicContact CG2-CG2 4.02Å; I45-W53 HydrophobicContact CD1-CH2 3.45Å; I45-W53 VanDerWaalsContact CD1-CH2 3.45Å; I45-W53 HydrophobicContact CD1-CZ2 3.89Å; I45-W53 HydrophobicContact CD1-CZ3 4.23Å; I45-W53 HydrophobicContact CG1-CH2 4.05Å; I45-W53 HydrophobicContact CG1-CZ2 4.01Å; I45-W53 HydrophobicContact CG2-CD2 4.02Å; I45-W53 HydrophobicContact CG2-CE3 4.06Å; I45-W53 HydrophobicContact CG2-CH2 3.85Å; I45-W53 HydrophobicContact CG2-CZ2 3.79Å; I45-W53 HydrophobicContact CG2-CZ3 3.97Å; I45-A55 HydrophobicContact CB-CB 3.96Å; I45-A55 HydrophobicContact CD1-CB 3.77Å; I45-A55 HydrophobicContact CG1-CB 4.49Å; I45-A55 HydrophobicContact CG2-CB 3.76Å; I45-D271 HydrophobicContact CD1-CB 3.97Å; I45-V283 HydrophobicContact CG1-CG2 3.93Å
46	N	98.2	Very high	96.8	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-75.5	-28.2	-171.7	-75.1	-26.6	0	0	0	114.3	I42 N43 F44 K54 A55	I42-N46 WeakPolarHBondContact O-CB 3.11Å; I42-N46 PolarHBondContact O-N 2.93Å; I42-N46 PolarHBondContact O-ND2 3.33Å; N43-N46 PolarHBondContact O-N 3.33Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 3.12Å; N46-K54 PolarHBondContact O-NZ 3.42Å; N46-K54 WeakPolarHBondContact OD1-CA 3.44Å; N46-K54 VanDerWaalsContact OD1-CD 3.31Å; N46-K54 WeakPolarHBondContact OD1-CD 3.34Å; N46-A55 PolarHBondContact ND2-O 3.42Å; N46-A55 PolarHBondContact OD1-N 2.87Å; N46-A55 PolarHBondContact OD1-O 3.29Å
47	Y	97.6	Very high	96.9	Very high	183 Å²	183	57.1 Å²	57.1	72%	0.718	29%	0.294	S	S	*	.	H	α-helix	trans	-126.4	-20.8	-168.4	-55.1	-66.5	0	0	0	115.3	N43	N43-Y47 HydrophobicContact CB-CD2 4.25Å; N43-Y47 WeakPolarHBondContact O-CB 3.33Å; N43-Y47 VanDerWaalsContact O-CD2 3.24Å; N43-Y47 WeakPolarHBondContact O-CD2 3.28Å; N43-Y47 PolarHBondContact O-N 3.06Å
48	E	96.5	Very high	96.8	Very high	113 Å²	113	56.5 Å²	56.5	53%	0.528	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-35.8	-173.7	-68.8	-178.9	-135.6	0	0	113.9	R32 F44 N50	R32-E48 IonicContact NH1-OE2 2.72Å; R32-E48 PolarHBondContact NH1-OE2 3.2Å; F44-E48 HydrophobicContact CD2-CB 3.61Å; F44-E48 HydrophobicContact CE2-CB 4.01Å; F44-E48 CarbonylContact O-C 3.55Å; F44-E48 WeakPolarHBondContact O-CA 3.03Å; F44-E48 WeakPolarHBondContact O-CB 3.46Å; F44-E48 PolarHBondContact O-N 2.9Å; E48-N50 PolarHBondContact O-N 3.31Å; E48-N50 VanDerWaalsContact O-N 3.08Å
49	A	95.2	Very high	96.4	Very high	21 Å²	21	58.5 Å²	58.5	17%	0.174	30%	0.303	C	S	.	.	S	Bend	trans	-69	-10.5	-168.4	0	0	0	0	0	115.1	F44 T51 V283	F44-A49 HydrophobicContact CD1-CB 4.11Å; F44-A49 HydrophobicContact CE1-CB 3.66Å; F44-A49 HydrophobicContact CE2-CB 4.31Å; F44-A49 HydrophobicContact CZ-CB 3.77Å; F44-A49 PolarHBondContact O-N 3.03Å; A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 HydrophobicContact CB-CG2 4.3Å; A49-T51 PolarHBondContact O-N 3.26Å; A49-V283 HydrophobicContact CB-CB 4.13Å; A49-V283 HydrophobicContact CB-CG1 4.26Å; A49-V283 HydrophobicContact CB-CG2 3.99Å
50	N	95.3	Very high	95.9	Very high	167 Å²	167	54 Å²	54	89%	0.893	28%	0.281	S	S	*	.			trans	48.3	50.9	-175.4	-169.7	41.5	0	0	0	112.9	E48	E48-N50 PolarHBondContact O-N 3.31Å; E48-N50 VanDerWaalsContact O-N 3.08Å
51	T	97.1	Very high	95.5	Very high	25 Å²	25	48.6 Å²	48.6	15%	0.153	26%	0.256	C	S	.	.			trans	-110.6	169.4	-177.3	-166.6	0	0	0	0	112.2	I45 A49 W53	I45-T51 HydrophobicContact CG2-CG2 4.02Å; A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 HydrophobicContact CB-CG2 4.3Å; A49-T51 PolarHBondContact O-N 3.26Å; T51-W53 HydrophobicContact CG2-CG 4.14Å; T51-W53 PolarHBondContact OG1-NE1 3.12Å
52	T	98.3	Very high	94.8	Very high	53 Å²	53	56.2 Å²	56.2	33%	0.325	28%	0.284	S	S	.	.	S	Bend	trans	-98.1	10.6	-175.9	53.7	0	0	0	0	114.1	G278 V279 Q281 V304	T52-G278 CarbonylContact O-C 3.57Å; T52-G278 WeakPolarHBondContact O-CA 3.45Å; T52-V279 CarbonylContact C-O 3.56Å; T52-V279 PolarHBondContact O-N 3.24Å; T52-V279 PolarHBondContact OG1-O 3.04Å; T52-Q281 PolarHBondContact OG1-NE2 3.02Å; T52-V304 HydrophobicContact CG2-CG2 3.66Å
53	W	98.6	Very high	94.4	Very high	2 Å²	2	59 Å²	59	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	166.1	176.7	66.6	-82.2	0	0	0	111.4	I45 T51 A55 D271 Y275 S277 Y280 Q281 V283	I45-W53 HydrophobicContact CD1-CH2 3.45Å; I45-W53 VanDerWaalsContact CD1-CH2 3.45Å; I45-W53 HydrophobicContact CD1-CZ2 3.89Å; I45-W53 HydrophobicContact CD1-CZ3 4.23Å; I45-W53 HydrophobicContact CG1-CH2 4.05Å; I45-W53 HydrophobicContact CG1-CZ2 4.01Å; I45-W53 HydrophobicContact CG2-CD2 4.02Å; I45-W53 HydrophobicContact CG2-CE3 4.06Å; I45-W53 HydrophobicContact CG2-CH2 3.85Å; I45-W53 HydrophobicContact CG2-CZ2 3.79Å; I45-W53 HydrophobicContact CG2-CZ3 3.97Å; T51-W53 HydrophobicContact CG2-CG 4.14Å; T51-W53 PolarHBondContact OG1-NE1 3.12Å; W53-A55 HydrophobicContact CE3-CB 4.44Å; W53-A55 HydrophobicContact CH2-CB 4.29Å; W53-A55 HydrophobicContact CZ3-CB 3.74Å; W53-D271 HydrophobicContact CH2-CB 4.04Å; W53-D271 WeakPolarHBondContact CH2-O 3.48Å; W53-D271 HydrophobicContact CZ2-CB 4.1Å; W53-Y275 HydrophobicContact CB-CD2 4.45Å; W53-Y275 HydrophobicContact CB-CE2 4.31Å; W53-Y275 HydrophobicContact CD2-CD2 4.49Å; W53-Y275 AromaticContact CE3-CD2 3.96Å; W53-Y275 HydrophobicContact CE3-CD2 3.96Å; W53-S277 CarbonylContact C-O 3.57Å; W53-S277 WeakPolarHBondContact CA-O 3.48Å; W53-S277 VanDerWaalsContact CB-O 3.27Å; W53-S277 WeakPolarHBondContact CB-O 3.49Å; W53-Y280 AromaticContact CD2-CD2 3.97Å; W53-Y280 HydrophobicContact CD2-CD2 3.97Å; W53-Y280 AromaticContact CE2-CD2 3.65Å; W53-Y280 HydrophobicContact CE3-CD2 4.39Å; W53-Y280 HydrophobicContact CG-CD2 4.38Å; W53-Y280 HydrophobicContact CH2-CD2 4.24Å; W53-Y280 HydrophobicContact CH2-CE2 4.17Å; W53-Y280 AromaticContact CZ2-CD2 3.82Å; W53-Y280 HydrophobicContact CZ2-CD2 3.82Å; W53-Y280 AromaticContact CZ2-CE2 3.75Å; W53-Y280 HydrophobicContact CZ2-CE2 3.75Å; W53-Y280 AromaticContact NE1-CD2 3.87Å; W53-Q281 PolarHBondContact NE1-O 2.04Å; W53-V283 HydrophobicContact CZ2-CG2 4.24Å
54	K	98.6	Very high	94	Very high	100 Å²	100	57.5 Å²	57.5	44%	0.435	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.6	177	-63.9	-62.1	-178.7	-168.4	0	110.4	N46 K276 S277	N46-K54 PolarHBondContact O-NZ 3.42Å; N46-K54 WeakPolarHBondContact OD1-CA 3.44Å; N46-K54 VanDerWaalsContact OD1-CD 3.31Å; N46-K54 WeakPolarHBondContact OD1-CD 3.34Å; K54-K276 WeakPolarHBondContact O-CB 3.45Å; K54-K276 PolarHBondContact O-N 3.25Å; K54-S277 PolarHBondContact N-O 2.78Å; K54-S277 PolarHBondContact O-N 3.22Å
55	A	98.3	Very high	93.7	Very high	6 Å²	6	60 Å²	60	5%	0.05	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148.3	175.4	0	0	0	0	0	110.9	I42 I45 N46 W53 N274	I42-A55 HydrophobicContact CB-CB 4.41Å; I42-A55 HydrophobicContact CG1-CB 4.27Å; I42-A55 HydrophobicContact CG2-CB 4.18Å; I45-A55 HydrophobicContact CB-CB 3.96Å; I45-A55 HydrophobicContact CD1-CB 3.77Å; I45-A55 HydrophobicContact CG1-CB 4.49Å; I45-A55 HydrophobicContact CG2-CB 3.76Å; N46-A55 PolarHBondContact ND2-O 3.42Å; N46-A55 PolarHBondContact OD1-N 2.87Å; N46-A55 PolarHBondContact OD1-O 3.29Å; W53-A55 HydrophobicContact CE3-CB 4.44Å; W53-A55 HydrophobicContact CH2-CB 4.29Å; W53-A55 HydrophobicContact CZ3-CB 3.74Å; A55-N274 CarbonylContact C-O 3.59Å; A55-N274 WeakPolarHBondContact CA-O 3.19Å; A55-N274 HydrophobicContact CB-CB 4.17Å
56	A	97.6	Very high	93.2	Very high	27 Å²	27	60.9 Å²	60.9	22%	0.223	32%	0.321	C	S	.	.			trans	-139.1	161.4	170.2	0	0	0	0	0	110.1	T58 N274 K276	A56-T58 PolarHBondContact O-N 3.32Å; A56-N274 PolarHBondContact N-O 3.02Å; A56-N274 WeakPolarHBondContact O-CB 3.22Å; A56-N274 PolarHBondContact O-ND2 3.13Å; A56-K276 HydrophobicContact CB-CB 3.84Å; A56-K276 HydrophobicContact CB-CD 4.31Å; A56-K276 HydrophobicContact CB-CG 3.98Å
57	P	95	Very high	92.9	Very high	90 Å²	90	59.6 Å²	59.6	58%	0.584	31%	0.314	S	S	*	.			trans	-53.7	125.2	165.5	-24.3	35	0	0	0	109.5	M39 I42	M39-P57 HydrophobicContact SD-CG 4.01Å; I42-P57 HydrophobicContact CD1-CB 4.45Å; I42-P57 HydrophobicContact CD1-CG 4Å
58	T	90.7	Very high	92.7	Very high	27 Å²	27	57.5 Å²	57.5	17%	0.166	31%	0.305	C	S	.	.			trans	-86.6	139.3	176.8	-175.8	0	0	0	0	109.1	L37 A56 R60 F61 P273	L37-T58 HydrophobicContact CD2-CG2 3.49Å; L37-T58 VanDerWaalsContact CD2-CG2 3.49Å; A56-T58 PolarHBondContact O-N 3.32Å; T58-R60 PolarHBondContact OG1-N 3.47Å; T58-F61 HydrophobicContact CG2-CB 4.13Å; T58-F61 HydrophobicContact CG2-CD2 4.24Å; T58-P273 VanDerWaalsContact CB-O 3.28Å; T58-P273 WeakPolarHBondContact CB-O 3.45Å; T58-P273 PolarHBondContact OG1-O 3.48Å
59	T	86.4	Confident	92.4	Very high	61 Å²	61	54.1 Å²	54.1	37%	0.374	29%	0.287	S	S	.	.	S	Bend	trans	-82.9	-28.9	169.3	51.8	0	0	0	0	110.2	F61 H202 V204	T59-F61 VanDerWaalsContact C-N 3.32Å; T59-F61 PolarHBondContact O-N 3.47Å; T59-H202 CarbonylContact C-O 3.51Å; T59-H202 CarbonylContact O-C 3.49Å; T59-H202 WeakPolarHBondContact O-CB 3.46Å; T59-V204 HydrophobicContact CG2-CG1 3.54Å
60	R	86.6	Confident	92.3	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.011	28%	0.279	C	S	.	.	S	Bend	trans	-63.9	-26.3	-173	-172.5	52.8	158.7	105.9	-13.7	115.5	T58 D115 S117 H202 W313 W317	T58-R60 PolarHBondContact OG1-N 3.47Å; R60-D115 IonicContact CZ-OD1 3.6Å; R60-D115 IonicContact NH2-OD1 2.68Å; R60-D115 PolarHBondContact NH2-OD1 3.36Å; R60-S117 PolarHBondContact NH1-O 3.41Å; R60-S117 VanDerWaalsContact NH1-O 3.1Å; R60-S117 PolarHBondContact NH2-O 3.34Å; R60-H202 PolarHBondContact NH1-CE1 2.8Å; R60-H202 PolarHBondContact NH1-NE2 3.48Å; R60-H202 WeakPolarHBondContact O-CB 3.34Å; R60-H202 PolarHBondContact O-CD2 3.47Å; R60-W313 HydrophobicContact CG-CB 4.3Å; R60-W317 HydrophobicContact CB-CB 4.5Å
61	F	88.7	Confident	92.4	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.039	24%	0.239	C	C	.	.			trans	-133.5	135.3	-171	-58.8	-73.8	0	0	0	112.3	L37 T58 T59 D66 I67 M70 P273 W313	L37-F61 HydrophobicContact CD1-CB 4.22Å; L37-F61 HydrophobicContact CD2-CB 4.2Å; T58-F61 HydrophobicContact CG2-CB 4.13Å; T58-F61 HydrophobicContact CG2-CD2 4.24Å; T59-F61 VanDerWaalsContact C-N 3.32Å; T59-F61 PolarHBondContact O-N 3.47Å; F61-D66 HydrophobicContact CD1-CB 4.29Å; F61-I67 HydrophobicContact CB-CD1 4.37Å; F61-I67 HydrophobicContact CB-CG1 3.7Å; F61-I67 HydrophobicContact CD1-CB 4.19Å; F61-I67 HydrophobicContact CD1-CG1 3.59Å; F61-I67 HydrophobicContact CD2-CG1 4.13Å; F61-I67 HydrophobicContact CE1-CB 4.4Å; F61-I67 HydrophobicContact CE1-CG1 4.18Å; F61-I67 HydrophobicContact CG-CG1 3.54Å; F61-M70 HydrophobicContact CE1-CB 4.03Å; F61-M70 HydrophobicContact CE1-CG 3.66Å; F61-M70 HydrophobicContact CZ-CB 4.44Å; F61-M70 HydrophobicContact CZ-CG 4.4Å; F61-P273 HydrophobicContact CD2-CB 3.92Å; F61-P273 HydrophobicContact CE2-CB 4.27Å; F61-W313 HydrophobicContact CE2-CD2 4.05Å; F61-W313 AromaticContact CE2-CE3 3.51Å; F61-W313 HydrophobicContact CE2-CE3 3.51Å; F61-W313 HydrophobicContact CE2-CH2 4.02Å; F61-W313 HydrophobicContact CE2-CZ2 4.48Å; F61-W313 AromaticContact CE2-CZ3 3.51Å; F61-W313 HydrophobicContact CE2-CZ3 3.51Å; F61-W313 AromaticContact CZ-CD2 3.67Å; F61-W313 HydrophobicContact CZ-CD2 3.67Å; F61-W313 AromaticContact CZ-CE2 3.77Å; F61-W313 AromaticContact CZ-CE3 3.63Å; F61-W313 HydrophobicContact CZ-CE3 3.63Å; F61-W313 HydrophobicContact CZ-CG 4.43Å; F61-W313 AromaticContact CZ-CH2 3.84Å; F61-W313 HydrophobicContact CZ-CH2 3.84Å; F61-W313 AromaticContact CZ-CZ2 3.87Å; F61-W313 HydrophobicContact CZ-CZ2 3.87Å; F61-W313 AromaticContact CZ-CZ3 3.73Å; F61-W313 HydrophobicContact CZ-CZ3 3.73Å
62	R	81.8	Confident	92.4	Very high	159 Å²	159	44.7 Å²	44.7	60%	0.6	23%	0.233	S	C	*	.	S	Bend	trans	-99.3	-42.5	175	-47.5	172.6	68.4	164.5	-10.5	112.5	L37 D66 H203	L37-R62 VanDerWaalsContact CD1-C 3.41Å; L37-R62 VanDerWaalsContact CD1-O 3.32Å; L37-R62 WeakPolarHBondContact CD1-O 3.4Å; R62-D66 WeakPolarHBondContact CB-OD2 3.36Å; R62-H203 WeakPolarHBondContact CD-CD2 3.1Å; R62-H203 WeakPolarHBondContact CD-NE2 3.39Å; R62-H203 VanDerWaalsContact CG-CD2 3.45Å; R62-H203 WeakPolarHBondContact CG-CD2 3.12Å; R62-H203 PolarHBondContact NE-NE2 2.89Å; R62-H203 VanDerWaalsContact NE-NE2 3.16Å; R62-H203 PolarHBondContact NH1-CE1 2.9Å; R62-H203 PolarHBondContact NH1-NE2 2.83Å
63	T	89.2	Confident	92.4	Very high	64 Å²	64	42.4 Å²	42.4	39%	0.393	22%	0.22	S	C	.	.	S	Bend	trans	-130.6	162.5	-173.2	70.1	0	0	0	0	111.1	S65 D66 I67	T63-S65 PolarHBondContact O-N 2.78Å; T63-S65 PolarHBondContact OG1-N 3.17Å; T63-D66 WeakPolarHBondContact CB-OD2 3.36Å; T63-D66 PolarHBondContact N-OD2 2.77Å; T63-D66 WeakPolarHBondContact O-CB 3.18Å; T63-D66 PolarHBondContact O-N 2.82Å; T63-D66 VanDerWaalsContact O-N 3.14Å; T63-D66 PolarHBondContact OG1-N 3.04Å; T63-D66 VanDerWaalsContact OG1-N 3.12Å; T63-D66 PolarHBondContact OG1-OD2 3.01Å; T63-I67 PolarHBondContact O-N 3.47Å
64	V	90.2	Very high	92.4	Very high	40 Å²	40	44.8 Å²	44.8	24%	0.242	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-31.8	170.5	-175.6	0	0	0	0	111.7	P36 I67 R68 L288	P36-V64 HydrophobicContact CB-CG2 3.77Å; P36-V64 HydrophobicContact CG-CG2 3.59Å; V64-I67 PolarHBondContact O-N 3.11Å; V64-R68 HydrophobicContact CG1-CG 4.48Å; V64-R68 WeakPolarHBondContact O-CG 3.43Å; V64-R68 PolarHBondContact O-N 2.85Å; V64-L288 HydrophobicContact CG1-CD2 3.72Å
65	S	89.5	Confident	92.2	Very high	79 Å²	79	45.5 Å²	45.5	55%	0.552	25%	0.248	S	C	*	.	H	α-helix	trans	-64.5	-41.8	176.1	-161	0	0	0	0	111.4	T63 I67 R68 R69	T63-S65 PolarHBondContact O-N 2.78Å; T63-S65 PolarHBondContact OG1-N 3.17Å; S65-I67 VanDerWaalsContact C-N 3.32Å; S65-I67 PolarHBondContact O-N 3.11Å; S65-R68 PolarHBondContact O-N 2.87Å; S65-R69 PolarHBondContact O-N 2.63Å
66	D	88	Confident	92	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-41.4	176.6	-57.3	-46.4	0	0	0	111.4	F61 R62 T63 R69 M70	F61-D66 HydrophobicContact CD1-CB 4.29Å; R62-D66 WeakPolarHBondContact CB-OD2 3.36Å; T63-D66 WeakPolarHBondContact CB-OD2 3.36Å; T63-D66 PolarHBondContact N-OD2 2.77Å; T63-D66 WeakPolarHBondContact O-CB 3.18Å; T63-D66 PolarHBondContact O-N 2.82Å; T63-D66 VanDerWaalsContact O-N 3.14Å; T63-D66 PolarHBondContact OG1-N 3.04Å; T63-D66 VanDerWaalsContact OG1-N 3.12Å; T63-D66 PolarHBondContact OG1-OD2 3.01Å; D66-R69 PolarHBondContact O-N 3.29Å; D66-R69 IonicContact OD1-CZ 3.28Å; D66-R69 IonicContact OD1-NH1 2.82Å; D66-R69 PolarHBondContact OD1-NH1 3.41Å; D66-R69 IonicContact OD1-NH2 3.89Å; D66-R69 PolarHBondContact OD1-NH2 3.16Å; D66-M70 WeakPolarHBondContact O-CG 3.4Å
67	I	92.6	Very high	91.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-56.4	175.8	-61.3	158.8	0	0	0	109.2	L37 F61 T63 V64 S65 R69 M70 L71 P273 L288	L37-I67 HydrophobicContact CD1-CD1 4Å; L37-I67 HydrophobicContact CD2-CD1 4.04Å; L37-I67 HydrophobicContact CG-CD1 4.02Å; F61-I67 HydrophobicContact CB-CD1 4.37Å; F61-I67 HydrophobicContact CB-CG1 3.7Å; F61-I67 HydrophobicContact CD1-CB 4.19Å; F61-I67 HydrophobicContact CD1-CG1 3.59Å; F61-I67 HydrophobicContact CD2-CG1 4.13Å; F61-I67 HydrophobicContact CE1-CB 4.4Å; F61-I67 HydrophobicContact CE1-CG1 4.18Å; F61-I67 HydrophobicContact CG-CG1 3.54Å; T63-I67 PolarHBondContact O-N 3.47Å; V64-I67 PolarHBondContact O-N 3.11Å; S65-I67 VanDerWaalsContact C-N 3.32Å; S65-I67 PolarHBondContact O-N 3.11Å; I67-R69 PolarHBondContact O-N 3.31Å; I67-M70 WeakPolarHBondContact O-CB 3.1Å; I67-M70 PolarHBondContact O-N 2.86Å; I67-L71 HydrophobicContact CG2-CD1 4.01Å; I67-L71 HydrophobicContact CG2-CG 4.29Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.38Å; I67-P273 HydrophobicContact CD1-CB 3.93Å; I67-P273 HydrophobicContact CD1-CG 3.62Å; I67-P273 HydrophobicContact CG1-CB 4.21Å; I67-P273 HydrophobicContact CG1-CG 4.01Å; I67-P273 HydrophobicContact CG2-CG 3.86Å; I67-L288 HydrophobicContact CB-CD1 4.24Å; I67-L288 HydrophobicContact CD1-CD1 4.1Å; I67-L288 HydrophobicContact CG2-CD1 3.62Å
68	R	93.1	Very high	91.8	Very high	138 Å²	138	52 Å²	52	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-55.5	-37	-176.8	-76	-178.5	172.8	146.1	0.8	113.4	V64 S65 M70 L71 L288	V64-R68 HydrophobicContact CG1-CG 4.48Å; V64-R68 WeakPolarHBondContact O-CG 3.43Å; V64-R68 PolarHBondContact O-N 2.85Å; S65-R68 PolarHBondContact O-N 2.87Å; R68-M70 PolarHBondContact O-N 3.29Å; R68-L71 PolarHBondContact O-N 3.42Å; R68-L71 VanDerWaalsContact O-N 3.15Å; R68-L288 HydrophobicContact CG-CB 4.48Å
69	R	90.1	Very high	92	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.162	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-31.1	176.3	-178.2	171.3	60.1	-107.2	-6.4	112.8	S65 D66 I67 S118 G120 D214	S65-R69 PolarHBondContact O-N 2.63Å; D66-R69 PolarHBondContact O-N 3.29Å; D66-R69 IonicContact OD1-CZ 3.28Å; D66-R69 IonicContact OD1-NH1 2.82Å; D66-R69 PolarHBondContact OD1-NH1 3.41Å; D66-R69 IonicContact OD1-NH2 3.89Å; D66-R69 PolarHBondContact OD1-NH2 3.16Å; I67-R69 PolarHBondContact O-N 3.31Å; R69-S118 WeakPolarHBondContact CD-O 3.29Å; R69-G120 WeakPolarHBondContact O-CA 3.16Å; R69-G120 PolarHBondContact O-N 3.33Å; R69-D214 VanDerWaalsContact CD-OD1 3.31Å; R69-D214 WeakPolarHBondContact CD-OD1 3.27Å; R69-D214 IonicContact NH1-OD1 3.23Å
70	M	93.1	Very high	92.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-83.9	-13.4	-179.9	-58.2	-54.9	-67.7	0	0	113.3	F61 D66 I67 R68 G72 Q116 S117	F61-M70 HydrophobicContact CE1-CB 4.03Å; F61-M70 HydrophobicContact CE1-CG 3.66Å; F61-M70 HydrophobicContact CZ-CB 4.44Å; F61-M70 HydrophobicContact CZ-CG 4.4Å; D66-M70 WeakPolarHBondContact O-CG 3.4Å; I67-M70 WeakPolarHBondContact O-CB 3.1Å; I67-M70 PolarHBondContact O-N 2.86Å; R68-M70 PolarHBondContact O-N 3.29Å; M70-G72 PolarHBondContact O-N 2.75Å; M70-Q116 VanDerWaalsContact CE-CD 3.46Å; M70-Q116 HydrophobicContact CE-CG 3.18Å; M70-Q116 PolarHBondContact O-NE2 3.39Å; M70-S117 WeakPolarHBondContact CE-O 3.42Å; M70-S117 VanDerWaalsContact SD-O 3.41Å
71	L	96.5	Very high	92.9	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.058	33%	0.326	C	S	.	.			trans	-90.8	67.8	-178.8	-54	-177.6	0	0	0	110.7	I67 R68 V268 L288 G290 H291 W313	I67-L71 HydrophobicContact CG2-CD1 4.01Å; I67-L71 HydrophobicContact CG2-CG 4.29Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.38Å; R68-L71 PolarHBondContact O-N 3.42Å; R68-L71 VanDerWaalsContact O-N 3.15Å; L71-V268 HydrophobicContact CD1-CB 3.86Å; L71-V268 HydrophobicContact CD1-CG1 3.92Å; L71-V268 HydrophobicContact CD2-CB 3.76Å; L71-V268 HydrophobicContact CD2-CG1 3.89Å; L71-V268 HydrophobicContact CD2-CG2 3.67Å; L71-V268 HydrophobicContact CG-CB 4.48Å; L71-L288 HydrophobicContact CD1-CB 3.61Å; L71-G290 CarbonylContact C-O 3.56Å; L71-G290 VanDerWaalsContact CA-O 3.28Å; L71-G290 WeakPolarHBondContact CA-O 3.42Å; L71-G290 WeakPolarHBondContact CB-O 3.49Å; L71-H291 HydrophobicContact CD2-CB 3.79Å; L71-W313 HydrophobicContact CD2-CH2 4.44Å; L71-W313 HydrophobicContact CD2-CZ2 4.01Å
72	G	97.5	Very high	93.3	Very high	3 Å²	3	60.2 Å²	60.2	3%	0.031	33%	0.327	C	S	.	.			trans	-86	2.1	-173.6	0	0	0	0	0	116	M70 L74 G120 C122 G165 G166	M70-G72 PolarHBondContact O-N 2.75Å; G72-L74 PolarHBondContact O-N 2.88Å; G72-G120 WeakPolarHBondContact CA-O 3.48Å; G72-C122 VanDerWaalsContact C-SG 3.53Å; G72-C122 VanDerWaalsContact CA-SG 3.58Å; G72-C122 PolarHBondContact N-SG 2.95Å; G72-G165 CarbonylContact O-C 3.59Å; G72-G165 WeakPolarHBondContact O-CA 3Å; G72-G166 PolarHBondContact O-N 3.44Å
73	A	98.4	Very high	94	Very high	6 Å²	6	60.6 Å²	60.6	5%	0.05	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-81.5	112.4	177.3	0	0	0	0	0	108.4	C122 P168 D265 G290 A292	A73-C122 PolarHBondContact N-SG 2.89Å; A73-P168 HydrophobicContact CB-CG 4.27Å; A73-D265 HydrophobicContact CB-CB 4.21Å; A73-G290 PolarHBondContact N-O 3.43Å; A73-G290 VanDerWaalsContact N-O 3.15Å; A73-G290 WeakPolarHBondContact O-CA 3.11Å; A73-A292 HydrophobicContact CB-CB 3.97Å
74	L	97.7	Very high	94.4	Very high	52 Å²	52	59.3 Å²	59.3	27%	0.272	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-103.6	144.2	-177.6	-59.1	179.6	0	0	0	110.2	G72 M161 G166 F167	G72-L74 PolarHBondContact O-N 2.88Å; L74-M161 HydrophobicContact CD1-CE 3.46Å; L74-M161 VanDerWaalsContact CD1-CE 3.46Å; L74-G166 PolarHBondContact N-O 3.47Å; L74-F167 HydrophobicContact CB-CD1 3.99Å; L74-F167 HydrophobicContact CB-CE1 3.89Å
75	P	95.1	Very high	94.4	Very high	115 Å²	115	59.9 Å²	59.9	75%	0.747	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-65.5	139.3	164.9	29.4	-33.2	0	0	0	109.3	F167	P75-F167 WeakPolarHBondContact O-CE1 3.18Å
76	D	95.1	Very high	93.9	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.134	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.2	131.9	172	-174.8	-82.9	0	0	0	110.2	N78 G79 E80 F167 H169	D76-N78 PolarHBondContact O-N 3.18Å; D76-N78 WeakPolarHBondContact OD1-CA 3.02Å; D76-N78 WeakPolarHBondContact OD1-CB 3.28Å; D76-N78 PolarHBondContact OD1-N 2.91Å; D76-G79 PolarHBondContact O-N 3.35Å; D76-G79 PolarHBondContact OD1-N 2.64Å; D76-E80 HydrophobicContact CB-CB 4.36Å; D76-E80 PolarHBondContact OD1-N 3.35Å; D76-E80 VanDerWaalsContact OD1-N 3.16Å; D76-F167 HydrophobicContact CB-CD1 4.32Å; D76-H169 IonicContact OD2-CE1 3.19Å; D76-H169 PolarHBondContact OD2-CE1 3.24Å; D76-H169 VanDerWaalsContact OD2-CE1 3.28Å; D76-H169 IonicContact OD2-NE2 3.79Å
77	P	93.1	Very high	92.9	Very high	104 Å²	104	63.6 Å²	63.6	68%	0.675	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	-176.6	25.8	-35.4	0	0	0	113.9	F167	P77-F167 HydrophobicContact CG-CZ 4.37Å
78	N	94.9	Very high	91.6	Very high	130 Å²	130	67 Å²	67	70%	0.695	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.1	175.1	-58.5	-42.2	0	0	0	112.3	D76 E80	D76-N78 PolarHBondContact O-N 3.18Å; D76-N78 WeakPolarHBondContact OD1-CA 3.02Å; D76-N78 WeakPolarHBondContact OD1-CB 3.28Å; D76-N78 PolarHBondContact OD1-N 2.91Å; N78-E80 VanDerWaalsContact C-N 3.27Å; N78-E80 HydrophobicContact CB-CG 4.09Å
79	G	93.4	Very high	90.1	Very high	58 Å²	58	63.8 Å²	63.8	60%	0.598	38%	0.376	S	S	*	.			trans	69.9	23.5	-174	0	0	0	0	0	113.2	D76	D76-G79 PolarHBondContact O-N 3.35Å; D76-G79 PolarHBondContact OD1-N 2.64Å
80	E	95.7	Very high	88.7	Confident	106 Å²	106	67.8 Å²	67.8	50%	0.495	40%	0.399	S	S	.	.			trans	-66.2	140.5	176.9	-69.6	-179.1	-165.6	0	0	111.6	D76 N78 H169	D76-E80 HydrophobicContact CB-CB 4.36Å; D76-E80 PolarHBondContact OD1-N 3.35Å; D76-E80 VanDerWaalsContact OD1-N 3.16Å; N78-E80 VanDerWaalsContact C-N 3.27Å; N78-E80 HydrophobicContact CB-CG 4.09Å; E80-H169 PolarHBondContact O-ND1 3.44Å
81	Q	96.4	Very high	87.2	Confident	98 Å²	98	72.9 Å²	72.9	46%	0.458	44%	0.435	S	S	.	.			trans	-143	161.1	176.5	-66.7	-173.8	-25.4	0	0	108.9
82	L	97.9	Very high	85.8	Confident	10 Å²	10	76.4 Å²	76.4	5%	0.052	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-62.7	151.8	168.3	-62.5	178.8	0	0	0	110.8	T84 H169 W172 L173 V242 Y243 R244 N339	L82-T84 PolarHBondContact O-N 3.13Å; L82-H169 HydrophobicContact CD2-CB 4.31Å; L82-H169 WeakPolarHBondContact CD2-O 3.41Å; L82-H169 HydrophobicContact CG-CB 3.89Å; L82-W172 HydrophobicContact CD1-CB 3.8Å; L82-W172 HydrophobicContact CD1-CG 4.11Å; L82-W172 HydrophobicContact CD2-CB 4.49Å; L82-L173 HydrophobicContact CD2-CD1 4.34Å; L82-L173 HydrophobicContact CD2-CD2 3.86Å; L82-L173 HydrophobicContact CD2-CG 3.71Å; L82-V242 HydrophobicContact CD1-CB 4.2Å; L82-V242 HydrophobicContact CD2-CB 4.45Å; L82-V242 HydrophobicContact CD2-CG2 3.88Å; L82-Y243 WeakPolarHBondContact CD1-O 3.19Å; L82-R244 HydrophobicContact CB-CB 4.05Å; L82-N339 HydrophobicContact CD1-CB 4.24Å; L82-N339 VanDerWaalsContact CD1-OD1 3.28Å; L82-N339 WeakPolarHBondContact CD1-OD1 3.33Å
83	E	96.9	Very high	85.3	Confident	168 Å²	168	85.5 Å²	85.5	79%	0.785	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-59.5	133.6	172.1	-173.3	179.9	-179.5	0	0	110.5	L85 Y243 R244	E83-L85 PolarHBondContact O-N 3.19Å; E83-Y243 CarbonylContact O-C 3.43Å; E83-Y243 WeakPolarHBondContact O-CA 3.49Å; E83-Y243 WeakPolarHBondContact O-CB 3.18Å; E83-R244 PolarHBondContact O-N 2.89Å
84	T	96.6	Very high	85	Confident	36 Å²	36	87 Å²	87	22%	0.221	50%	0.502	C	S	.	.	B	Isolated β-bridge	trans	-70.6	128.9	179.1	-53.2	0	0	0	0	110.9	L82 C86 R244 H246	L82-T84 PolarHBondContact O-N 3.13Å; T84-C86 PolarHBondContact O-N 2.93Å; T84-R244 CarbonylContact C-O 3.4Å; T84-R244 VanDerWaalsContact CA-O 3.3Å; T84-R244 WeakPolarHBondContact CA-O 3.45Å; T84-R244 PolarHBondContact OG1-NH2 3.11Å; T84-H246 HydrophobicContact CG2-CB 4.06Å
85	L	90.9	Very high	84.9	Confident	52 Å²	52	87 Å²	87	27%	0.272	51%	0.506	S	S	.	.			trans	-68.6	101.5	173.4	-177.8	65.9	0	0	0	110.6	E83 T87 Y89 Y243 R244	E83-L85 PolarHBondContact O-N 3.19Å; L85-T87 HydrophobicContact CD1-CG2 3.97Å; L85-T87 HydrophobicContact CD2-CG2 4.28Å; L85-T87 HydrophobicContact CG-CG2 3.94Å; L85-T87 PolarHBondContact O-N 2.91Å; L85-Y89 PolarHBondContact O-OH 3.45Å; L85-Y243 HydrophobicContact CB-CD2 3.71Å; L85-Y243 HydrophobicContact CB-CE2 4.39Å; L85-Y243 HydrophobicContact CB-CG 4.03Å; L85-Y243 HydrophobicContact CD2-CD2 3.86Å; L85-Y243 HydrophobicContact CD2-CE2 3.66Å; L85-Y243 HydrophobicContact CD2-CG 4.47Å; L85-Y243 HydrophobicContact CG-CD2 4.29Å; L85-R244 PolarHBondContact N-O 3.16Å
86	C	77.9	Confident	85	Confident	122 Å²	122	89.6 Å²	89.6	82%	0.824	51%	0.505	S	S	*	.			trans	-86	84.7	173.5	-65.5	0	0	0	0	110.6	T84	T84-C86 PolarHBondContact O-N 2.93Å
87	T	68	Low	85.1	Confident	59 Å²	59	92 Å²	92	36%	0.362	52%	0.524	S	S	.	.			trans	-108.9	139.6	167.4	53.5	0	0	0	0	110	L85 Y89	L85-T87 HydrophobicContact CD1-CG2 3.97Å; L85-T87 HydrophobicContact CD2-CG2 4.28Å; L85-T87 HydrophobicContact CG-CG2 3.94Å; L85-T87 PolarHBondContact O-N 2.91Å; T87-Y89 PolarHBondContact O-N 2.83Å
88	G	64.5	Low	85.4	Confident	70 Å²	70	88.1 Å²	88.1	72%	0.722	50%	0.496	S	S	*	.			trans	-60.1	110.7	168.7	0	0	0	0	0	109.4	I90	G88-I90 VanDerWaalsContact C-N 3.35Å; G88-I90 PolarHBondContact O-N 3.31Å
89	Y	62.9	Low	85.6	Confident	71 Å²	71	83.7 Å²	83.7	28%	0.278	47%	0.473	S	S	.	.			trans	-73.9	93.3	174.6	-52.3	-68.8	0	0	0	107.4	L85 T87 S91 H246 A251 L254	L85-Y89 PolarHBondContact O-OH 3.45Å; T87-Y89 PolarHBondContact O-N 2.83Å; Y89-S91 PolarHBondContact O-N 3.05Å; Y89-H246 WeakPolarHBondContact OH-CB 3.39Å; Y89-A251 HydrophobicContact CD1-CB 3.92Å; Y89-A251 HydrophobicContact CD2-CB 4.44Å; Y89-A251 HydrophobicContact CE1-CB 3.25Å; Y89-A251 HydrophobicContact CE2-CB 3.86Å; Y89-A251 HydrophobicContact CG-CB 4.48Å; Y89-A251 WeakPolarHBondContact OH-CB 3.15Å; Y89-L254 HydrophobicContact CD1-CD1 3.77Å; Y89-L254 HydrophobicContact CG-CD1 4.32Å
90	I	61.1	Low	85.8	Confident	128 Å²	128	81 Å²	81	66%	0.656	45%	0.445	S	S	*	.			trans	-69.3	123.8	166.4	-60.9	176.2	0	0	0	105.5	G88 D92	G88-I90 VanDerWaalsContact C-N 3.35Å; G88-I90 PolarHBondContact O-N 3.31Å; I90-D92 PolarHBondContact O-N 2.88Å
91	S	60.4	Low	86	Confident	107 Å²	107	79 Å²	79	75%	0.748	43%	0.433	S	S	*	.			trans	-63	76.8	175.9	169.1	0	0	0	0	109.8	Y89	Y89-S91 PolarHBondContact O-N 3.05Å
92	D	67.4	Low	86.1	Confident	84 Å²	84	79.9 Å²	79.9	45%	0.449	44%	0.444	S	S	.	.			trans	-63.2	137.9	155	-64.4	-37	0	0	0	106.6	I90 L94 L254 R258	I90-D92 PolarHBondContact O-N 2.88Å; D92-L94 PolarHBondContact O-N 3.44Å; D92-L254 HydrophobicContact CB-CD2 4.48Å; D92-R258 IonicContact OD2-NH2 3.53Å; D92-R258 PolarHBondContact OD2-NH2 2.74Å
93	E	86.7	Confident	86.1	Confident	194 Å²	194	84.6 Å²	84.6	91%	0.907	47%	0.466	S	S	*	.			trans	-62.3	106.4	172.4	-171.5	177.1	-179.1	0	0	108.3
94	L	92.8	Very high	86.2	Confident	38 Å²	38	77.8 Å²	77.8	20%	0.199	43%	0.433	C	S	.	.			trans	-75.8	135.6	-177.3	-68	171.1	0	0	0	110.4	D92 E250 M253 L254 M257	D92-L94 PolarHBondContact O-N 3.44Å; L94-E250 HydrophobicContact CD1-CB 4.02Å; L94-E250 HydrophobicContact CD1-CG 3.99Å; L94-M253 HydrophobicContact CB-CE 3.72Å; L94-M253 HydrophobicContact CD1-CB 3.91Å; L94-M253 HydrophobicContact CD1-CE 3.68Å; L94-M253 HydrophobicContact CD1-SD 3.88Å; L94-M253 HydrophobicContact CD2-CB 4.28Å; L94-M253 HydrophobicContact CG-CE 4.24Å; L94-L254 HydrophobicContact CD2-CD2 3.74Å; L94-L254 HydrophobicContact CD2-CG 4.05Å; L94-M257 HydrophobicContact CD2-SD 3.68Å
95	P	95.7	Very high	86.3	Confident	52 Å²	52	80.8 Å²	80.8	34%	0.338	45%	0.453	S	S	.	.			trans	-65.7	151.9	178	28.3	-34.5	0	0	0	111	S97 M257 W298	P95-S97 PolarHBondContact O-N 3.32Å; P95-M257 HydrophobicContact CG-CE 4.18Å; P95-M257 HydrophobicContact CG-SD 4.16Å; P95-W298 HydrophobicContact CG-CZ2 3.84Å; P95-W298 PolarHBondContact O-NE1 3.49Å
96	K	96.3	Very high	86.6	Confident	169 Å²	169	81.8 Å²	81.8	74%	0.735	46%	0.457	S	S	*	.	S	Bend	trans	-60.5	-28.4	177.3	-70.7	-168.4	176	-169.4	0	113.5	W298	K96-W298 VanDerWaalsContact O-CD1 3.3Å; K96-W298 PolarHBondContact O-NE1 2.86Å
97	S	98.4	Very high	87.6	Confident	77 Å²	77	76 Å²	76	54%	0.538	42%	0.418	S	S	.	.			trans	-143.1	148.9	178.1	58.4	0	0	0	0	111	P95 W298	P95-S97 PolarHBondContact O-N 3.32Å; S97-W298 CarbonylContact C-O 3.58Å; S97-W298 VanDerWaalsContact CA-O 3.26Å; S97-W298 WeakPolarHBondContact CA-O 3.38Å
98	F	98.6	Very high	88.9	Confident	21 Å²	21	76.3 Å²	76.3	9%	0.092	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	138.5	175.3	176.2	-94.9	0	0	0	109.2	A100 E103 W104 L256 M257 G297 W298	F98-A100 HydrophobicContact CE1-CB 4.25Å; F98-E103 HydrophobicContact CE2-CB 3.89Å; F98-E103 HydrophobicContact CE2-CG 3.91Å; F98-E103 HydrophobicContact CZ-CB 3.98Å; F98-E103 HydrophobicContact CZ-CG 4.13Å; F98-W104 HydrophobicContact CE1-CH2 4.35Å; F98-W104 HydrophobicContact CE1-CZ3 4.08Å; F98-W104 HydrophobicContact CE2-CH2 4.46Å; F98-W104 AromaticContact CZ-CH2 3.55Å; F98-W104 HydrophobicContact CZ-CH2 3.55Å; F98-W104 AromaticContact CZ-CZ3 3.54Å; F98-W104 HydrophobicContact CZ-CZ3 3.54Å; F98-L256 HydrophobicContact CD1-CB 4.34Å; F98-L256 HydrophobicContact CE1-CB 4.13Å; F98-M257 HydrophobicContact CD2-CG 3.82Å; F98-M257 HydrophobicContact CE2-CB 4.48Å; F98-M257 HydrophobicContact CE2-CG 3.93Å; F98-M257 HydrophobicContact CG-CG 4.2Å; F98-M257 HydrophobicContact CZ-CG 4.4Å; F98-G297 CarbonylContact O-C 3.56Å; F98-G297 VanDerWaalsContact O-CA 3.26Å; F98-G297 WeakPolarHBondContact O-CA 3.41Å; F98-W298 HydrophobicContact CB-CD2 3.72Å; F98-W298 HydrophobicContact CB-CE3 3.6Å; F98-W298 HydrophobicContact CB-CH2 3.43Å; F98-W298 VanDerWaalsContact CB-CH2 3.43Å; F98-W298 HydrophobicContact CB-CZ2 3.51Å; F98-W298 HydrophobicContact CB-CZ3 3.43Å; F98-W298 VanDerWaalsContact CB-CZ3 3.43Å; F98-W298 HydrophobicContact CD1-CE3 4.07Å; F98-W298 HydrophobicContact CD1-CH2 4.25Å; F98-W298 AromaticContact CD1-CZ3 3.65Å; F98-W298 HydrophobicContact CD1-CZ3 3.65Å; F98-W298 HydrophobicContact CD2-CH2 4.49Å; F98-W298 HydrophobicContact CG-CE3 4.19Å; F98-W298 AromaticContact CG-CH2 3.82Å; F98-W298 HydrophobicContact CG-CH2 3.82Å; F98-W298 HydrophobicContact CG-CZ2 4.37Å; F98-W298 AromaticContact CG-CZ3 3.67Å; F98-W298 HydrophobicContact CG-CZ3 3.67Å; F98-W298 PolarHBondContact N-O 3.38Å; F98-W298 PolarHBondContact O-N 3Å; F98-W298 VanDerWaalsContact O-O 3.09Å
99	D	98.8	Very high	90.5	Very high	38 Å²	38	73.2 Å²	73.2	20%	0.203	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	113.1	177.3	-173.6	-26.7	0	0	0	108.9	R101 V102 E103	D99-R101 PolarHBondContact O-N 3.23Å; D99-R101 VanDerWaalsContact O-N 3.07Å; D99-R101 VanDerWaalsContact OD1-CB 3.27Å; D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 WeakPolarHBondContact OD1-CG 2.97Å; D99-R101 IonicContact OD1-CZ 3.34Å; D99-R101 PolarHBondContact OD1-N 2.89Å; D99-R101 IonicContact OD1-NE 2.87Å; D99-R101 PolarHBondContact OD1-NE 3.41Å; D99-R101 IonicContact OD1-NH2 3.63Å; D99-R101 IonicContact OD2-CZ 2.79Å; D99-R101 IonicContact OD2-NE 3.17Å; D99-R101 PolarHBondContact OD2-NE 2.63Å; D99-R101 IonicContact OD2-NH2 2.85Å; D99-R101 PolarHBondContact OD2-NH2 3.19Å; D99-V102 HydrophobicContact CB-CB 4.34Å; D99-V102 HydrophobicContact CB-CG2 4.02Å; D99-V102 PolarHBondContact O-N 3.47Å; D99-E103 PolarHBondContact O-N 2.98Å; D99-E103 VanDerWaalsContact O-N 3.1Å
100	A	98.8	Very high	92.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-55.3	-27.8	-179	0	0	0	0	0	113.4	F98 V102 W104 I110 P261 L296	F98-A100 HydrophobicContact CE1-CB 4.25Å; A100-V102 VanDerWaalsContact C-N 3.32Å; A100-W104 HydrophobicContact CB-CE3 3.77Å; A100-W104 HydrophobicContact CB-CZ3 3.7Å; A100-W104 PolarHBondContact O-N 3.2Å; A100-I110 HydrophobicContact CB-CG2 3.63Å; A100-P261 HydrophobicContact CB-CG 3.79Å; A100-L296 VanDerWaalsContact CB-O 3.23Å; A100-L296 WeakPolarHBondContact CB-O 3.47Å; A100-L296 PolarHBondContact N-O 3.32Å; A100-L296 VanDerWaalsContact N-O 3.16Å
101	R	98.6	Very high	94	Very high	66 Å²	66	66.7 Å²	66.7	25%	0.249	36%	0.364	C	S	.	.	H	α-helix	trans	-70.7	-32.2	179.1	-57.4	169.9	-64.3	180	3.3	111.8	D99 I110 Y322	D99-R101 PolarHBondContact O-N 3.23Å; D99-R101 VanDerWaalsContact O-N 3.07Å; D99-R101 VanDerWaalsContact OD1-CB 3.27Å; D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 WeakPolarHBondContact OD1-CG 2.97Å; D99-R101 IonicContact OD1-CZ 3.34Å; D99-R101 PolarHBondContact OD1-N 2.89Å; D99-R101 IonicContact OD1-NE 2.87Å; D99-R101 PolarHBondContact OD1-NE 3.41Å; D99-R101 IonicContact OD1-NH2 3.63Å; D99-R101 IonicContact OD2-CZ 2.79Å; D99-R101 IonicContact OD2-NE 3.17Å; D99-R101 PolarHBondContact OD2-NE 2.63Å; D99-R101 IonicContact OD2-NH2 2.85Å; D99-R101 PolarHBondContact OD2-NH2 3.19Å; R101-I110 HydrophobicContact CB-CG2 4.44Å; R101-I110 HydrophobicContact CG-CB 4.37Å; R101-I110 HydrophobicContact CG-CG2 3.65Å; R101-Y322 VanDerWaalsContact NH1-CE1 3.31Å; R101-Y322 PolarHBondContact NH1-OH 3.42Å; R101-Y322 VanDerWaalsContact NH1-OH 3.16Å
102	V	98.6	Very high	95.7	Very high	115 Å²	115	64 Å²	64	70%	0.697	34%	0.339	S	S	*	.	H	α-helix	trans	-79.3	-38.9	177	178.8	0	0	0	0	110.6	D99 A100 P105	D99-V102 HydrophobicContact CB-CB 4.34Å; D99-V102 HydrophobicContact CB-CG2 4.02Å; D99-V102 PolarHBondContact O-N 3.47Å; A100-V102 VanDerWaalsContact C-N 3.32Å; V102-P105 WeakPolarHBondContact O-CD 3.35Å
103	E	98.5	Very high	97	Very high	109 Å²	109	61.4 Å²	61.4	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-70.4	-40.5	179.8	-173.7	61.3	-154.9	0	0	112.3	F98 D99 P105	F98-E103 HydrophobicContact CE2-CB 3.89Å; F98-E103 HydrophobicContact CE2-CG 3.91Å; F98-E103 HydrophobicContact CZ-CB 3.98Å; F98-E103 HydrophobicContact CZ-CG 4.13Å; D99-E103 PolarHBondContact O-N 2.98Å; D99-E103 VanDerWaalsContact O-N 3.1Å; E103-P105 VanDerWaalsContact O-CD 3.31Å; E103-P105 WeakPolarHBondContact O-CD 3.5Å
104	W	98.6	Very high	97.4	Very high	25 Å²	25	52.3 Å²	52.3	10%	0.095	28%	0.283	C	S	.	.			trans	-123	62.9	-177.6	-57.5	-70	0	0	0	113.1	F98 A100 H106 C107 I110 I137 L256 M257	F98-W104 HydrophobicContact CE1-CH2 4.35Å; F98-W104 HydrophobicContact CE1-CZ3 4.08Å; F98-W104 HydrophobicContact CE2-CH2 4.46Å; F98-W104 AromaticContact CZ-CH2 3.55Å; F98-W104 HydrophobicContact CZ-CH2 3.55Å; F98-W104 AromaticContact CZ-CZ3 3.54Å; F98-W104 HydrophobicContact CZ-CZ3 3.54Å; A100-W104 HydrophobicContact CB-CE3 3.77Å; A100-W104 HydrophobicContact CB-CZ3 3.7Å; A100-W104 PolarHBondContact O-N 3.2Å; W104-H106 AromaticContact CD1-CE1 3.89Å; W104-H106 PolarHBondContact O-N 3.01Å; W104-C107 HydrophobicContact CB-CB 4.29Å; W104-C107 WeakPolarHBondContact O-CB 3.28Å; W104-C107 PolarHBondContact O-N 2.9Å; W104-I110 HydrophobicContact CB-CD1 3.63Å; W104-I110 HydrophobicContact CE3-CD1 4.13Å; W104-I110 HydrophobicContact CG-CD1 4.43Å; W104-I137 HydrophobicContact CB-CG1 4.15Å; W104-I137 HydrophobicContact CD2-CD1 3.63Å; W104-I137 HydrophobicContact CD2-CG1 3.69Å; W104-I137 HydrophobicContact CD2-CG2 4.28Å; W104-I137 HydrophobicContact CE3-CD1 3.5Å; W104-I137 HydrophobicContact CE3-CG1 4.1Å; W104-I137 HydrophobicContact CG-CD1 4.15Å; W104-I137 HydrophobicContact CG-CG1 3.7Å; W104-I137 HydrophobicContact CH2-CD1 4.36Å; W104-I137 HydrophobicContact CZ2-CD1 4.47Å; W104-I137 HydrophobicContact CZ2-CG2 4.12Å; W104-I137 HydrophobicContact CZ3-CD1 3.89Å; W104-L256 WeakPolarHBondContact CH2-O 3.31Å; W104-M257 WeakPolarHBondContact CZ2-O 3.42Å
105	P	98	Very high	97.4	Very high	99 Å²	99	51 Å²	51	64%	0.643	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.3	-176.2	28.6	-36.4	0	0	0	113.2	V102 E103 C107	V102-P105 WeakPolarHBondContact O-CD 3.35Å; E103-P105 VanDerWaalsContact O-CD 3.31Å; E103-P105 WeakPolarHBondContact O-CD 3.5Å; P105-C107 VanDerWaalsContact C-N 3.25Å; P105-C107 PolarHBondContact O-N 3.2Å
106	H	97.9	Very high	97.4	Very high	74 Å²	74	48.6 Å²	48.6	34%	0.343	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-6.8	175.9	58.6	-90	0	0	0	113.6	W104 P108 K144	W104-H106 AromaticContact CD1-CE1 3.89Å; W104-H106 PolarHBondContact O-N 3.01Å; H106-P108 WeakPolarHBondContact O-CD 3.31Å; H106-K144 WeakPolarHBondContact O-CE 3.34Å; H106-K144 PolarHBondContact O-NZ 2.85Å
107	C	98.5	Very high	97.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	23%	0.226	C	C	.	.			trans	-106.3	90.8	177.7	-66.9	0	0	0	0	110.7	W104 P105 S109 I110 C136	W104-C107 HydrophobicContact CB-CB 4.29Å; W104-C107 WeakPolarHBondContact O-CB 3.28Å; W104-C107 PolarHBondContact O-N 2.9Å; P105-C107 VanDerWaalsContact C-N 3.25Å; P105-C107 PolarHBondContact O-N 3.2Å; C107-S109 PolarHBondContact O-N 3.23Å; C107-I110 HydrophobicContact CB-CD1 3.57Å; C107-I110 HydrophobicContact CB-CG1 3.91Å; C107-I110 PolarHBondContact O-N 3.5Å; C107-C136 WeakPolarHBondContact CA-SG 3.38Å; C107-C136 HydrophobicContact CB-CB 3.72Å; C107-C136 WeakPolarHBondContact CB-SG 3.48Å; C107-C136 WeakPolarHBondContact SG-CB 3.2Å; C107-C136 CovalentContact SG-SG 2.03Å; C107-C136 PolarHBondContact SG-SG 3.18Å
108	P	96.6	Very high	96.7	Very high	64 Å²	64	37.3 Å²	37.3	42%	0.416	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-65.6	-27.3	-172	26.9	-34.9	0	0	0	113.3	H106 I110 S111 E112 K144	H106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-I110 PolarHBondContact O-N 2.92Å; P108-I110 VanDerWaalsContact O-N 3.16Å; P108-S111 PolarHBondContact O-N 2.93Å; P108-S111 VanDerWaalsContact O-N 3.09Å; P108-E112 PolarHBondContact O-N 3.23Å; P108-K144 HydrophobicContact CG-CD 4.4Å
109	S	97.6	Very high	96.4	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.042	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-56.7	-30.9	178.5	59.1	0	0	0	0	112.9	C107 S111 E112 D133 R294	C107-S109 PolarHBondContact O-N 3.23Å; S109-S111 VanDerWaalsContact C-N 3.28Å; S109-S111 PolarHBondContact O-N 3.39Å; S109-E112 PolarHBondContact O-N 2.87Å; S109-D133 WeakPolarHBondContact CB-OD1 3Å; S109-D133 PolarHBondContact OG-OD1 2.98Å; S109-R294 PolarHBondContact O-NH1 3.29Å
110	I	98.5	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-66.5	-32.8	-178.7	-53.2	176	0	0	0	111.2	A100 R101 W104 C107 P108 D133 I137 P261 L296	A100-I110 HydrophobicContact CB-CG2 3.63Å; R101-I110 HydrophobicContact CB-CG2 4.44Å; R101-I110 HydrophobicContact CG-CB 4.37Å; R101-I110 HydrophobicContact CG-CG2 3.65Å; W104-I110 HydrophobicContact CB-CD1 3.63Å; W104-I110 HydrophobicContact CE3-CD1 4.13Å; W104-I110 HydrophobicContact CG-CD1 4.43Å; C107-I110 HydrophobicContact CB-CD1 3.57Å; C107-I110 HydrophobicContact CB-CG1 3.91Å; C107-I110 PolarHBondContact O-N 3.5Å; P108-I110 PolarHBondContact O-N 2.92Å; P108-I110 VanDerWaalsContact O-N 3.16Å; I110-D133 WeakPolarHBondContact CA-OD1 3.36Å; I110-D133 HydrophobicContact CG1-CB 3.87Å; I110-D133 WeakPolarHBondContact CG1-OD1 3.44Å; I110-D133 PolarHBondContact N-OD1 3.29Å; I110-I137 HydrophobicContact CD1-CD1 3.99Å; I110-I137 HydrophobicContact CD1-CG1 4.22Å; I110-P261 HydrophobicContact CG2-CG 4.14Å; I110-L296 HydrophobicContact CG2-CD2 3.92Å
111	S	97.8	Very high	96.2	Very high	62 Å²	62	34.6 Å²	34.6	43%	0.434	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-90.5	-12.1	-178.9	-60.9	0	0	0	0	113.4	P108 S109 Y322	P108-S111 PolarHBondContact O-N 2.93Å; P108-S111 VanDerWaalsContact O-N 3.09Å; S109-S111 VanDerWaalsContact C-N 3.28Å; S109-S111 PolarHBondContact O-N 3.39Å; S111-Y322 PolarHBondContact O-OH 3.28Å; S111-Y322 VanDerWaalsContact O-OH 3.11Å
112	E	96.4	Very high	96.2	Very high	49 Å²	49	31.5 Å²	31.5	23%	0.229	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-75.4	127.4	-178.9	-175.2	-179.5	-124.4	0	0	110.8	P108 S109 R114 F146 R294	P108-E112 PolarHBondContact O-N 3.23Å; S109-E112 PolarHBondContact O-N 2.87Å; E112-R114 HydrophobicContact CG-CG 4.08Å; E112-F146 VanDerWaalsContact OE2-CD1 3.32Å; E112-F146 WeakPolarHBondContact OE2-CD1 3.43Å; E112-F146 WeakPolarHBondContact OE2-CE1 3.33Å; E112-R294 PolarHBondContact O-NH2 3.21Å
113	I	95.8	Very high	96.2	Very high	30 Å²	30	26 Å²	26	15%	0.154	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-95.1	117.9	165.6	-65.7	-56.3	0	0	0	107.8	A310 Y322	I113-A310 HydrophobicContact CD1-CB 3.74Å; I113-Y322 HydrophobicContact CD1-CD1 4.07Å; I113-Y322 HydrophobicContact CD1-CD2 4.1Å; I113-Y322 HydrophobicContact CD1-CE1 3.65Å; I113-Y322 HydrophobicContact CD1-CE2 3.66Å; I113-Y322 HydrophobicContact CD1-CG 4.29Å; I113-Y322 VanDerWaalsContact CD1-CZ 3.41Å; I113-Y322 HydrophobicContact CG1-CD2 4.31Å; I113-Y322 HydrophobicContact CG1-CE1 4.5Å; I113-Y322 HydrophobicContact CG1-CE2 3.66Å
114	R	94.9	Very high	96.2	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.011	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-92.9	173.3	178.6	-59.9	-171.5	79.4	179.8	4.2	111.3	E112 F125 E129 L147 G183 D184 L185 S312 N314	E112-R114 HydrophobicContact CG-CG 4.08Å; R114-F125 HydrophobicContact CB-CD1 3.9Å; R114-F125 HydrophobicContact CB-CE1 3.89Å; R114-E129 WeakPolarHBondContact CB-OE1 3.47Å; R114-E129 HydrophobicContact CG-CG 4.36Å; R114-L147 PolarHBondContact NH1-O 3.19Å; R114-G183 PolarHBondContact NH2-O 2.84Å; R114-D184 PolarHBondContact NH2-O 3.29Å; R114-D184 IonicContact NH2-OD1 3.86Å; R114-L185 HydrophobicContact CB-CD2 4.01Å; R114-L185 HydrophobicContact CG-CD2 4.35Å; R114-S312 CarbonylContact O-C 3.53Å; R114-S312 VanDerWaalsContact O-C 3.27Å; R114-S312 VanDerWaalsContact O-CA 3.31Å; R114-S312 WeakPolarHBondContact O-CA 3.19Å; R114-N314 PolarHBondContact O-N 3.36Å
115	D	93.1	Very high	96.2	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.064	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-131.3	117.6	177.4	-171.9	4.9	0	0	0	110.2	R60 S117 F125 S312 N314	R60-D115 IonicContact CZ-OD1 3.6Å; R60-D115 IonicContact NH2-OD1 2.68Å; R60-D115 PolarHBondContact NH2-OD1 3.36Å; D115-S117 PolarHBondContact O-N 3.03Å; D115-S117 PolarHBondContact OD1-N 2.87Å; D115-F125 WeakPolarHBondContact O-CZ 3.39Å; D115-S312 CarbonylContact C-O 3.31Å; D115-S312 WeakPolarHBondContact CA-O 3.4Å; D115-N314 HydrophobicContact CB-CB 4.12Å
116	Q	94.6	Very high	96.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.			trans	-77.1	4.7	174	80.3	-177.5	83.4	0	0	112.7	M70 S118 C119 F125 Y195 H291 S312	M70-Q116 VanDerWaalsContact CE-CD 3.46Å; M70-Q116 HydrophobicContact CE-CG 3.18Å; M70-Q116 PolarHBondContact O-NE2 3.39Å; Q116-S118 PolarHBondContact O-N 3.44Å; Q116-C119 PolarHBondContact NE2-O 3.09Å; Q116-C119 PolarHBondContact O-N 3.09Å; Q116-F125 HydrophobicContact CB-CD1 4.46Å; Q116-F125 HydrophobicContact CB-CD2 3.61Å; Q116-F125 HydrophobicContact CB-CE1 4.48Å; Q116-F125 HydrophobicContact CB-CE2 3.64Å; Q116-F125 HydrophobicContact CB-CG 4.04Å; Q116-F125 HydrophobicContact CB-CZ 4.09Å; Q116-Y195 PolarHBondContact O-OH 2.97Å; Q116-Y195 VanDerWaalsContact O-OH 3.05Å; Q116-H291 PolarHBondContact OE1-CE1 3.44Å; Q116-S312 PolarHBondContact N-O 2.96Å; Q116-S312 PolarHBondContact OE1-OG 2.88Å
117	S	91.4	Very high	96.3	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.021	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-119.6	175	-178.9	0	0	0	0	113	R60 M70 D115 P198	R60-S117 PolarHBondContact NH1-O 3.41Å; R60-S117 VanDerWaalsContact NH1-O 3.1Å; R60-S117 PolarHBondContact NH2-O 3.34Å; M70-S117 WeakPolarHBondContact CE-O 3.42Å; M70-S117 VanDerWaalsContact SD-O 3.41Å; D115-S117 PolarHBondContact O-N 3.03Å; D115-S117 PolarHBondContact OD1-N 2.87Å; S117-P198 WeakPolarHBondContact CB-O 3.31Å; S117-P198 PolarHBondContact OG-O 3.43Å
118	S	89	Confident	96.3	Very high	7 Å²	7	11.4 Å²	11.4	5%	0.049	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	3.6	-178.1	-59.9	0	0	0	0	113.3	R69 Q116	R69-S118 WeakPolarHBondContact CD-O 3.29Å; Q116-S118 PolarHBondContact O-N 3.44Å
119	C	92.9	Very high	96.4	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	5%	0.05	C	C	.	.	S	Bend	trans	-94.7	137.4	-176.9	177.6	0	0	0	0	110.2	Q116 S121 C163 Y195 F197 V215	Q116-C119 PolarHBondContact NE2-O 3.09Å; Q116-C119 PolarHBondContact O-N 3.09Å; C119-S121 PolarHBondContact O-N 3.33Å; C119-S121 VanDerWaalsContact SG-CB 3.51Å; C119-S121 PolarHBondContact SG-OG 2.73Å; C119-C163 HydrophobicContact CB-CB 3.95Å; C119-C163 WeakPolarHBondContact CB-SG 3.34Å; C119-C163 WeakPolarHBondContact SG-CA 3.37Å; C119-C163 WeakPolarHBondContact SG-CB 3.37Å; C119-C163 CovalentContact SG-SG 2.04Å; C119-C163 PolarHBondContact SG-SG 2.79Å; C119-Y195 WeakPolarHBondContact CB-OH 3.5Å; C119-F197 HydrophobicContact CB-CD2 4.05Å; C119-F197 HydrophobicContact CB-CE2 3.97Å; C119-V215 HydrophobicContact CB-CG2 3.74Å
120	G	95.3	Very high	96.4	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.01	5%	0.048	C	C	.	.			trans	-73	50	172.3	0	0	0	0	0	112.9	R69 G72 C163	R69-G120 WeakPolarHBondContact O-CA 3.16Å; R69-G120 PolarHBondContact O-N 3.33Å; G72-G120 WeakPolarHBondContact CA-O 3.48Å; G120-C163 WeakPolarHBondContact CA-O 3.42Å; G120-C163 PolarHBondContact N-O 3.44Å
121	S	97.5	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.			trans	-102.1	23	-175.1	53.6	0	0	0	0	113.9	C119 W123 A124 F125 Y195	C119-S121 PolarHBondContact O-N 3.33Å; C119-S121 VanDerWaalsContact SG-CB 3.51Å; C119-S121 PolarHBondContact SG-OG 2.73Å; S121-W123 PolarHBondContact O-N 3.33Å; S121-A124 WeakPolarHBondContact O-CA 3.44Å; S121-A124 WeakPolarHBondContact O-CB 3.36Å; S121-A124 PolarHBondContact O-N 2.91Å; S121-F125 WeakPolarHBondContact O-CD2 3.36Å; S121-F125 PolarHBondContact O-N 3.15Å; S121-F125 WeakPolarHBondContact OG-CE2 3.23Å; S121-Y195 PolarHBondContact OG-OH 3.47Å
122	C	98.3	Very high	96.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-54.9	-38	179.5	64	0	0	0	0	112.6	G72 A73 A124 F125 G126 H291 A292	G72-C122 VanDerWaalsContact C-SG 3.53Å; G72-C122 VanDerWaalsContact CA-SG 3.58Å; G72-C122 PolarHBondContact N-SG 2.95Å; A73-C122 PolarHBondContact N-SG 2.89Å; C122-A124 PolarHBondContact O-N 3.36Å; C122-F125 PolarHBondContact O-N 2.92Å; C122-G126 PolarHBondContact O-N 2.85Å; C122-H291 WeakPolarHBondContact CB-CE1 3.33Å; C122-H291 WeakPolarHBondContact CB-ND1 3.17Å; C122-H291 PolarHBondContact SG-ND1 2.92Å; C122-A292 HydrophobicContact CB-CB 4.44Å; C122-A292 PolarHBondContact SG-N 2.87Å
123	W	98.7	Very high	96.6	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-60.8	-23.9	175.1	67.8	-92.9	0	0	0	113.5	S121 L152 V153 C159 G162 P168 A171 E263	S121-W123 PolarHBondContact O-N 3.33Å; W123-L152 HydrophobicContact CH2-CG 4.07Å; W123-L152 HydrophobicContact CZ3-CD1 4.1Å; W123-L152 HydrophobicContact CZ3-CD2 4.08Å; W123-L152 HydrophobicContact CZ3-CG 3.72Å; W123-V153 HydrophobicContact CZ2-CG2 4.22Å; W123-C159 HydrophobicContact CE3-CB 4.22Å; W123-C159 HydrophobicContact CH2-CB 3.51Å; W123-C159 HydrophobicContact CZ2-CB 4.44Å; W123-C159 HydrophobicContact CZ3-CB 3.37Å; W123-G162 PolarHBondContact NE1-O 3.39Å; W123-G162 VanDerWaalsContact NE1-O 3.11Å; W123-P168 HydrophobicContact CB-CG 4.32Å; W123-A171 HydrophobicContact CE3-CB 4.02Å; W123-A171 HydrophobicContact CZ3-CB 4.08Å; W123-E263 VanDerWaalsContact O-OE1 3.06Å
124	A	98.7	Very high	96.8	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-90.3	-41.6	175.1	0	0	0	0	0	110.7	S121 C122 A127 V128 L152 V153	S121-A124 WeakPolarHBondContact O-CA 3.44Å; S121-A124 WeakPolarHBondContact O-CB 3.36Å; S121-A124 PolarHBondContact O-N 2.91Å; C122-A124 PolarHBondContact O-N 3.36Å; A124-A127 PolarHBondContact O-N 3.48Å; A124-V128 WeakPolarHBondContact O-CG1 3.44Å; A124-V128 VanDerWaalsContact O-CG2 3.29Å; A124-V128 WeakPolarHBondContact O-CG2 3.5Å; A124-V128 PolarHBondContact O-N 2.89Å; A124-L152 HydrophobicContact CB-CB 4.35Å; A124-L152 HydrophobicContact CB-CD2 3.72Å; A124-L152 HydrophobicContact CB-CG 4.02Å; A124-V153 HydrophobicContact CB-CG2 3.49Å; A124-V153 VanDerWaalsContact CB-CG2 3.49Å
125	F	98.6	Very high	97	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-63.9	-50	179	-87.3	-99.8	0	0	0	112.3	R114 D115 Q116 S121 C122 A127 V128 E129 A149 L185 Y195	R114-F125 HydrophobicContact CB-CD1 3.9Å; R114-F125 HydrophobicContact CB-CE1 3.89Å; D115-F125 WeakPolarHBondContact O-CZ 3.39Å; Q116-F125 HydrophobicContact CB-CD1 4.46Å; Q116-F125 HydrophobicContact CB-CD2 3.61Å; Q116-F125 HydrophobicContact CB-CE1 4.48Å; Q116-F125 HydrophobicContact CB-CE2 3.64Å; Q116-F125 HydrophobicContact CB-CG 4.04Å; Q116-F125 HydrophobicContact CB-CZ 4.09Å; S121-F125 WeakPolarHBondContact O-CD2 3.36Å; S121-F125 PolarHBondContact O-N 3.15Å; S121-F125 WeakPolarHBondContact OG-CE2 3.23Å; C122-F125 PolarHBondContact O-N 2.92Å; F125-A127 VanDerWaalsContact C-N 3.27Å; F125-A127 PolarHBondContact O-N 2.95Å; F125-V128 PolarHBondContact O-N 2.79Å; F125-E129 VanDerWaalsContact O-CB 3.23Å; F125-E129 WeakPolarHBondContact O-CB 3.36Å; F125-E129 WeakPolarHBondContact O-CG 3.41Å; F125-E129 PolarHBondContact O-N 3.02Å; F125-A149 HydrophobicContact CD2-CB 3.77Å; F125-A149 HydrophobicContact CE1-CB 4.3Å; F125-A149 HydrophobicContact CE2-CB 3.52Å; F125-A149 HydrophobicContact CG-CB 4.28Å; F125-A149 HydrophobicContact CZ-CB 3.82Å; F125-L185 HydrophobicContact CE1-CD2 4.32Å; F125-Y195 HydrophobicContact CE2-CD2 4.26Å; F125-Y195 AromaticContact CE2-CE1 3.97Å; F125-Y195 HydrophobicContact CE2-CE1 3.97Å; F125-Y195 AromaticContact CE2-CE2 3.67Å; F125-Y195 HydrophobicContact CE2-CE2 3.67Å; F125-Y195 AromaticContact CE2-CZ 3.48Å; F125-Y195 VanDerWaalsContact CE2-CZ 3.48Å; F125-Y195 AromaticContact CZ-CD1 3.95Å; F125-Y195 HydrophobicContact CZ-CD1 3.95Å; F125-Y195 HydrophobicContact CZ-CD2 4.13Å; F125-Y195 AromaticContact CZ-CE1 3.72Å; F125-Y195 HydrophobicContact CZ-CE1 3.72Å; F125-Y195 AromaticContact CZ-CE2 3.94Å; F125-Y195 HydrophobicContact CZ-CE2 3.94Å; F125-Y195 HydrophobicContact CZ-CG 4.14Å; F125-Y195 AromaticContact CZ-CZ 3.71Å
126	G	98.7	Very high	97.2	Very high	1 Å²	1	1.1 Å²	1.1	1%	0.01	1%	0.007	C	C	.	.	H	α-helix	trans	-53.4	-46.9	176.9	0	0	0	0	0	111.7	C122 A130 E263	C122-G126 PolarHBondContact O-N 2.85Å; G126-A130 WeakPolarHBondContact O-CB 3.43Å; G126-A130 PolarHBondContact O-N 3.44Å; G126-E263 WeakPolarHBondContact CA-OE1 3.31Å
127	A	98.9	Very high	97.4	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.1	-59.1	177	0	0	0	0	0	112.8	A124 F125 E129 A130 M131 L152 A171 E263	A124-A127 PolarHBondContact O-N 3.48Å; F125-A127 VanDerWaalsContact C-N 3.27Å; F125-A127 PolarHBondContact O-N 2.95Å; A127-E129 VanDerWaalsContact C-N 3.28Å; A127-E129 PolarHBondContact O-N 3.27Å; A127-A130 PolarHBondContact O-N 2.65Å; A127-M131 HydrophobicContact CB-CE 3.66Å; A127-M131 WeakPolarHBondContact O-CB 3.18Å; A127-M131 WeakPolarHBondContact O-CG 3.06Å; A127-M131 PolarHBondContact O-N 3.42Å; A127-L152 HydrophobicContact CB-CD2 4.35Å; A127-A171 HydrophobicContact CB-CB 3.73Å; A127-E263 WeakPolarHBondContact CB-OE2 3.33Å; A127-E263 PolarHBondContact N-OE1 3.14Å
128	V	98.8	Very high	97.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-66.5	-30.7	-172.7	-61.4	0	0	0	0	112.7	A124 F125 S132 L147 A149 L152 I180	A124-V128 WeakPolarHBondContact O-CG1 3.44Å; A124-V128 VanDerWaalsContact O-CG2 3.29Å; A124-V128 WeakPolarHBondContact O-CG2 3.5Å; A124-V128 PolarHBondContact O-N 2.89Å; F125-V128 PolarHBondContact O-N 2.79Å; V128-S132 VanDerWaalsContact O-CB 3.31Å; V128-S132 WeakPolarHBondContact O-CB 3.22Å; V128-S132 PolarHBondContact O-N 2.97Å; V128-S132 PolarHBondContact O-OG 2.72Å; V128-L147 HydrophobicContact CB-CB 3.93Å; V128-L147 HydrophobicContact CG1-CB 4.28Å; V128-A149 HydrophobicContact CG2-CB 3.96Å; V128-L152 HydrophobicContact CG1-CB 4.32Å; V128-L152 HydrophobicContact CG1-CD2 3.73Å; V128-I180 HydrophobicContact CG1-CD1 4.17Å
129	E	98.8	Very high	98.2	Very high	5 Å²	5	7.7 Å²	7.7	2%	0.023	4%	0.037	C	C	.	.	H	α-helix	trans	-65.2	-51.6	173.9	-73.1	176.5	-163.2	0	0	111.1	R114 F125 A127 M131 S132 D133 R294	R114-E129 WeakPolarHBondContact CB-OE1 3.47Å; R114-E129 HydrophobicContact CG-CG 4.36Å; F125-E129 VanDerWaalsContact O-CB 3.23Å; F125-E129 WeakPolarHBondContact O-CB 3.36Å; F125-E129 WeakPolarHBondContact O-CG 3.41Å; F125-E129 PolarHBondContact O-N 3.02Å; A127-E129 VanDerWaalsContact C-N 3.28Å; A127-E129 PolarHBondContact O-N 3.27Å; E129-M131 VanDerWaalsContact C-N 3.31Å; E129-M131 PolarHBondContact O-N 2.63Å; E129-S132 WeakPolarHBondContact O-CB 3.17Å; E129-S132 PolarHBondContact O-N 3.3Å; E129-D133 PolarHBondContact O-N 2.88Å; E129-R294 IonicContact OE2-CZ 2.73Å; E129-R294 IonicContact OE2-NE 2.84Å; E129-R294 PolarHBondContact OE2-NE 3.31Å; E129-R294 IonicContact OE2-NH2 3.89Å; E129-R294 PolarHBondContact OE2-NH2 2.01Å
130	A	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.1	-38.8	177.4	0	0	0	0	0	111.9	G126 A127 R134 W172	G126-A130 WeakPolarHBondContact O-CB 3.43Å; G126-A130 PolarHBondContact O-N 3.44Å; A127-A130 PolarHBondContact O-N 2.65Å; A130-R134 WeakPolarHBondContact O-CB 3.29Å; A130-R134 WeakPolarHBondContact O-CD 3.45Å; A130-R134 WeakPolarHBondContact O-CG 3.31Å; A130-R134 PolarHBondContact O-N 3.14Å; A130-W172 HydrophobicContact CB-CH2 3.9Å; A130-W172 HydrophobicContact CB-CZ2 3.92Å
131	M	98.8	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-44.1	175.1	-67.7	166.1	-168.4	0	0	112	A127 E129 R134 I135 L147 W172 W175 I180	A127-M131 HydrophobicContact CB-CE 3.66Å; A127-M131 WeakPolarHBondContact O-CB 3.18Å; A127-M131 WeakPolarHBondContact O-CG 3.06Å; A127-M131 PolarHBondContact O-N 3.42Å; E129-M131 VanDerWaalsContact C-N 3.31Å; E129-M131 PolarHBondContact O-N 2.63Å; M131-R134 PolarHBondContact O-N 2.79Å; M131-I135 VanDerWaalsContact O-CG1 3.26Å; M131-I135 WeakPolarHBondContact O-CG1 3.25Å; M131-I135 PolarHBondContact O-N 3.34Å; M131-L147 HydrophobicContact CB-CD1 3.61Å; M131-L147 HydrophobicContact SD-CD1 4.24Å; M131-W172 HydrophobicContact CE-CB 4.37Å; M131-W172 HydrophobicContact CE-CD2 3.61Å; M131-W172 HydrophobicContact CE-CE3 3.75Å; M131-W172 HydrophobicContact CE-CG 3.9Å; M131-W172 HydrophobicContact CE-CZ2 4.48Å; M131-W172 HydrophobicContact CE-CZ3 4.23Å; M131-W172 HydrophobicContact CG-CE3 4.21Å; M131-W172 HydrophobicContact CG-CH2 3.96Å; M131-W172 HydrophobicContact CG-CZ3 3.77Å; M131-W175 HydrophobicContact CB-CD2 4.43Å; M131-W175 HydrophobicContact CB-CH2 4.46Å; M131-W175 HydrophobicContact CB-CZ2 4.21Å; M131-W175 HydrophobicContact CE-CB 3.63Å; M131-W175 HydrophobicContact CE-CD2 4.15Å; M131-W175 HydrophobicContact CE-CE3 4.1Å; M131-W175 HydrophobicContact CE-CG 4Å; M131-W175 HydrophobicContact CG-CD2 3.76Å; M131-W175 HydrophobicContact CG-CE3 3.78Å; M131-W175 HydrophobicContact CG-CG 4.27Å; M131-W175 HydrophobicContact CG-CH2 4.27Å; M131-W175 HydrophobicContact CG-CZ2 4.27Å; M131-W175 HydrophobicContact CG-CZ3 4.04Å; M131-W175 HydrophobicContact SD-CB 3.69Å; M131-W175 HydrophobicContact SD-CD2 3.65Å; M131-W175 HydrophobicContact SD-CE3 4.07Å; M131-W175 HydrophobicContact SD-CG 3.49Å; M131-I180 HydrophobicContact SD-CD1 3.88Å
132	S	98.8	Very high	98.5	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-47.3	178.2	-59.9	0	0	0	0	111	V128 E129 R134 I135 C136 P145 L147	V128-S132 VanDerWaalsContact O-CB 3.31Å; V128-S132 WeakPolarHBondContact O-CB 3.22Å; V128-S132 PolarHBondContact O-N 2.97Å; V128-S132 PolarHBondContact O-OG 2.72Å; E129-S132 WeakPolarHBondContact O-CB 3.17Å; E129-S132 PolarHBondContact O-N 3.3Å; S132-R134 PolarHBondContact O-N 3.1Å; S132-I135 PolarHBondContact O-N 3.05Å; S132-C136 PolarHBondContact O-N 3.05Å; S132-C136 VanDerWaalsContact O-N 3.14Å; S132-P145 VanDerWaalsContact CB-O 3.25Å; S132-P145 WeakPolarHBondContact CB-O 3.18Å; S132-P145 PolarHBondContact OG-O 2.72Å; S132-L147 PolarHBondContact OG-N 3.04Å
133	D	98.8	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.2	-49.4	176.9	-65.5	-18.3	0	0	0	111.4	S109 I110 E129 I135 C136 I137 P261 R294	S109-D133 WeakPolarHBondContact CB-OD1 3Å; S109-D133 PolarHBondContact OG-OD1 2.98Å; I110-D133 WeakPolarHBondContact CA-OD1 3.36Å; I110-D133 HydrophobicContact CG1-CB 3.87Å; I110-D133 WeakPolarHBondContact CG1-OD1 3.44Å; I110-D133 PolarHBondContact N-OD1 3.29Å; E129-D133 PolarHBondContact O-N 2.88Å; D133-I135 VanDerWaalsContact C-N 3.34Å; D133-I135 PolarHBondContact O-N 3.37Å; D133-C136 WeakPolarHBondContact O-CB 3.24Å; D133-C136 PolarHBondContact O-N 2.88Å; D133-C136 VanDerWaalsContact O-N 3.1Å; D133-I137 VanDerWaalsContact O-CG1 3.28Å; D133-I137 WeakPolarHBondContact O-CG1 3Å; D133-I137 PolarHBondContact O-N 3.15Å; D133-P261 HydrophobicContact CB-CB 4.41Å; D133-P261 HydrophobicContact CB-CG 4.11Å; D133-P261 WeakPolarHBondContact OD2-CG 3.49Å; D133-R294 VanDerWaalsContact CG-NH1 3.31Å; D133-R294 IonicContact OD1-NH1 3.25Å; D133-R294 PolarHBondContact OD1-NH1 3.49Å; D133-R294 WeakPolarHBondContact OD2-CD 3.48Å; D133-R294 IonicContact OD2-CZ 2.96Å; D133-R294 IonicContact OD2-NE 3.8Å; D133-R294 IonicContact OD2-NH1 3.37Å; D133-R294 PolarHBondContact OD2-NH1 3.12Å
134	R	98.8	Very high	98.4	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-37.7	-178.4	-74.2	172.1	168.3	-97	-16.6	112.4	A130 M131 S132 C136 I137 K138 Y243 E255 N259 G260 P261 G341 P343	A130-R134 WeakPolarHBondContact O-CB 3.29Å; A130-R134 WeakPolarHBondContact O-CD 3.45Å; A130-R134 WeakPolarHBondContact O-CG 3.31Å; A130-R134 PolarHBondContact O-N 3.14Å; M131-R134 PolarHBondContact O-N 2.79Å; S132-R134 PolarHBondContact O-N 3.1Å; R134-C136 VanDerWaalsContact C-N 3.31Å; R134-C136 PolarHBondContact O-N 2.58Å; R134-I137 PolarHBondContact O-N 2.98Å; R134-K138 WeakPolarHBondContact O-CB 3.4Å; R134-K138 PolarHBondContact O-N 3.48Å; R134-Y243 PolarHBondContact NH1-OH 2.81Å; R134-E255 IonicContact CZ-OE1 2.94Å; R134-E255 VanDerWaalsContact CZ-OE1 3.23Å; R134-E255 IonicContact NH1-OE1 3.04Å; R134-E255 PolarHBondContact NH1-OE1 3.28Å; R134-E255 IonicContact NH2-OE1 3.93Å; R134-E255 PolarHBondContact NH2-OE1 3.17Å; R134-N259 WeakPolarHBondContact CG-O 3.15Å; R134-G260 PolarHBondContact NH2-O 2.95Å; R134-P261 PolarHBondContact NE-O 3.01Å; R134-P261 PolarHBondContact NH2-O 3.19Å; R134-G341 WeakPolarHBondContact CD-O 3.49Å; R134-G341 PolarHBondContact NH1-O 3.49Å; R134-P343 HydrophobicContact CB-CG 4.42Å; R134-P343 WeakPolarHBondContact O-CG 3.48Å
135	I	98.7	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-44.5	173.7	-68.2	161.5	0	0	0	110.1	M131 S132 D133 S139 H143 P145 L147 W175 W237 P343 I345	M131-I135 VanDerWaalsContact O-CG1 3.26Å; M131-I135 WeakPolarHBondContact O-CG1 3.25Å; M131-I135 PolarHBondContact O-N 3.34Å; S132-I135 PolarHBondContact O-N 3.05Å; D133-I135 VanDerWaalsContact C-N 3.34Å; D133-I135 PolarHBondContact O-N 3.37Å; I135-S139 WeakPolarHBondContact O-CB 3.26Å; I135-S139 PolarHBondContact O-N 3.29Å; I135-S139 PolarHBondContact O-OG 2.89Å; I135-H143 HydrophobicContact CG2-CB 4.06Å; I135-P145 HydrophobicContact CB-CG 4.07Å; I135-P145 HydrophobicContact CD1-CG 3.88Å; I135-P145 HydrophobicContact CG2-CG 3.56Å; I135-L147 HydrophobicContact CD1-CD1 3.87Å; I135-L147 HydrophobicContact CD1-CD2 4.1Å; I135-L147 HydrophobicContact CD1-CG 4.13Å; I135-W175 HydrophobicContact CD1-CZ2 4.25Å; I135-W175 HydrophobicContact CG1-CZ2 4.25Å; I135-W237 HydrophobicContact CD1-CB 3.99Å; I135-W237 HydrophobicContact CD1-CD2 4.19Å; I135-W237 HydrophobicContact CD1-CE3 4Å; I135-W237 HydrophobicContact CD1-CG 4.2Å; I135-W237 HydrophobicContact CG1-CE3 4.37Å; I135-W237 HydrophobicContact CG2-CE3 3.82Å; I135-W237 HydrophobicContact CG2-CH2 4.28Å; I135-W237 HydrophobicContact CG2-CZ3 3.63Å; I135-P343 HydrophobicContact CB-CB 4.4Å; I135-P343 HydrophobicContact CG1-CB 3.53Å; I135-P343 HydrophobicContact CG1-CG 4.24Å; I135-I345 HydrophobicContact CG2-CD1 4.29Å
136	C	98.7	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-49.2	177.4	-178.3	0	0	0	0	112.7	C107 S132 D133 R134 S139 K140 G141 H143	C107-C136 WeakPolarHBondContact CA-SG 3.38Å; C107-C136 HydrophobicContact CB-CB 3.72Å; C107-C136 WeakPolarHBondContact CB-SG 3.48Å; C107-C136 WeakPolarHBondContact SG-CB 3.2Å; C107-C136 CovalentContact SG-SG 2.03Å; C107-C136 PolarHBondContact SG-SG 3.18Å; S132-C136 PolarHBondContact O-N 3.05Å; S132-C136 VanDerWaalsContact O-N 3.14Å; D133-C136 WeakPolarHBondContact O-CB 3.24Å; D133-C136 PolarHBondContact O-N 2.88Å; D133-C136 VanDerWaalsContact O-N 3.1Å; R134-C136 VanDerWaalsContact C-N 3.31Å; R134-C136 PolarHBondContact O-N 2.58Å; C136-S139 PolarHBondContact O-N 2.85Å; C136-S139 PolarHBondContact O-OG 2.99Å; C136-S139 VanDerWaalsContact O-OG 3.09Å; C136-K140 PolarHBondContact O-N 3.3Å; C136-K140 VanDerWaalsContact O-N 3.14Å; C136-G141 PolarHBondContact O-N 3.23Å; C136-H143 WeakPolarHBondContact CA-O 3.3Å
137	I	98.6	Very high	98.3	Very high	19 Å²	19	32 Å²	32	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-51.8	179.8	-67.7	167	0	0	0	110.6	W104 I110 D133 R134 S139 K140	W104-I137 HydrophobicContact CB-CG1 4.15Å; W104-I137 HydrophobicContact CD2-CD1 3.63Å; W104-I137 HydrophobicContact CD2-CG1 3.69Å; W104-I137 HydrophobicContact CD2-CG2 4.28Å; W104-I137 HydrophobicContact CE3-CD1 3.5Å; W104-I137 HydrophobicContact CE3-CG1 4.1Å; W104-I137 HydrophobicContact CG-CD1 4.15Å; W104-I137 HydrophobicContact CG-CG1 3.7Å; W104-I137 HydrophobicContact CH2-CD1 4.36Å; W104-I137 HydrophobicContact CZ2-CD1 4.47Å; W104-I137 HydrophobicContact CZ2-CG2 4.12Å; W104-I137 HydrophobicContact CZ3-CD1 3.89Å; I110-I137 HydrophobicContact CD1-CD1 3.99Å; I110-I137 HydrophobicContact CD1-CG1 4.22Å; D133-I137 VanDerWaalsContact O-CG1 3.28Å; D133-I137 WeakPolarHBondContact O-CG1 3Å; D133-I137 PolarHBondContact O-N 3.15Å; R134-I137 PolarHBondContact O-N 2.98Å; I137-S139 VanDerWaalsContact C-N 3.29Å; I137-S139 PolarHBondContact O-N 3.42Å; I137-K140 PolarHBondContact O-N 3.46Å
138	K	98.2	Very high	98.3	Very high	114 Å²	114	32 Å²	32	50%	0.496	15%	0.148	S	C	.	.	H	α-helix	trans	-64.5	-34.4	-177.4	-176.2	66.2	171.9	-169.9	0	112.5	R134 K140 P343 I345	R134-K138 WeakPolarHBondContact O-CB 3.4Å; R134-K138 PolarHBondContact O-N 3.48Å; K138-K140 PolarHBondContact O-N 3.47Å; K138-P343 HydrophobicContact CB-CG 3.6Å; K138-P343 HydrophobicContact CG-CG 3.91Å; K138-I345 HydrophobicContact CB-CD1 4.05Å; K138-I345 HydrophobicContact CB-CG1 4.28Å; K138-I345 HydrophobicContact CG-CD1 3.98Å; K138-I345 HydrophobicContact CG-CG1 3.67Å
139	S	98.1	Very high	98.3	Very high	14 Å²	14	32 Å²	32	10%	0.098	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.9	176	74.2	0	0	0	0	113.9	I135 C136 I137 G141 K142 H143	I135-S139 WeakPolarHBondContact O-CB 3.26Å; I135-S139 PolarHBondContact O-N 3.29Å; I135-S139 PolarHBondContact O-OG 2.89Å; C136-S139 PolarHBondContact O-N 2.85Å; C136-S139 PolarHBondContact O-OG 2.99Å; C136-S139 VanDerWaalsContact O-OG 3.09Å; I137-S139 VanDerWaalsContact C-N 3.29Å; I137-S139 PolarHBondContact O-N 3.42Å; S139-G141 PolarHBondContact O-N 3.21Å; S139-K142 VanDerWaalsContact O-CB 3.24Å; S139-K142 WeakPolarHBondContact O-CB 3.49Å; S139-K142 PolarHBondContact O-N 3.24Å; S139-K142 VanDerWaalsContact O-N 3.09Å; S139-K142 PolarHBondContact OG-N 3.43Å; S139-H143 PolarHBondContact OG-N 3.31Å; S139-H143 PolarHBondContact OG-O 2.87Å
140	K	97.1	Very high	98.2	Very high	188 Å²	188	32 Å²	32	82%	0.817	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	39.8	-175.5	-55.2	-178.4	178.9	-176.6	0	112.1	C136 I137 K138 K142	C136-K140 PolarHBondContact O-N 3.3Å; C136-K140 VanDerWaalsContact O-N 3.14Å; I137-K140 PolarHBondContact O-N 3.46Å; K138-K140 PolarHBondContact O-N 3.47Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 2.87Å
141	G	97.2	Very high	98.2	Very high	16 Å²	16	32 Å²	32	17%	0.165	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	2	-178.8	0	0	0	0	0	115.9	C136 S139 H143 K144	C136-G141 PolarHBondContact O-N 3.23Å; S139-G141 PolarHBondContact O-N 3.21Å; G141-H143 VanDerWaalsContact C-N 3.29Å; G141-H143 PolarHBondContact O-N 3.24Å; G141-K144 WeakPolarHBondContact O-CE 3.5Å
142	K	97.8	Very high	98.2	Very high	134 Å²	134	32 Å²	32	58%	0.583	15%	0.148	S	C	*	.	S	Bend	trans	-62.7	-38	175.4	-176.8	-177.5	177.8	-177.1	0	111.5	S139 K140 N347	S139-K142 VanDerWaalsContact O-CB 3.24Å; S139-K142 WeakPolarHBondContact O-CB 3.49Å; S139-K142 PolarHBondContact O-N 3.24Å; S139-K142 VanDerWaalsContact O-N 3.09Å; S139-K142 PolarHBondContact OG-N 3.43Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 2.87Å; K142-N347 PolarHBondContact NZ-OXT 3.09Å
143	H	97.9	Very high	98.2	Very high	36 Å²	36	32.1 Å²	32.1	17%	0.167	15%	0.149	C	C	.	.			trans	-120.8	130	-179.4	-59.9	-64.2	0	0	0	109.4	I135 C136 S139 G141 W237 K346	I135-H143 HydrophobicContact CG2-CB 4.06Å; C136-H143 WeakPolarHBondContact CA-O 3.3Å; S139-H143 PolarHBondContact OG-N 3.31Å; S139-H143 PolarHBondContact OG-O 2.87Å; G141-H143 VanDerWaalsContact C-N 3.29Å; G141-H143 PolarHBondContact O-N 3.24Å; H143-W237 HydrophobicContact CB-CH2 3.66Å; H143-W237 HydrophobicContact CB-CZ3 4.19Å; H143-W237 AromaticContact CG-CH2 3.58Å; H143-W237 AromaticContact ND1-CH2 3.72Å; H143-K346 PolarHBondContact NE2-O 3.43Å
144	K	97.4	Very high	98.1	Very high	101 Å²	101	33 Å²	33	44%	0.439	16%	0.155	S	C	.	.			trans	-130.4	50.5	-179.4	-51.2	-178.1	-172.1	-172.3	0	111.7	H106 P108 G141	H106-K144 WeakPolarHBondContact O-CE 3.34Å; H106-K144 PolarHBondContact O-NZ 2.85Å; P108-K144 HydrophobicContact CG-CD 4.4Å; G141-K144 WeakPolarHBondContact O-CE 3.5Å
145	P	97.3	Very high	98.1	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.078	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-71.3	139.9	-177.6	31.8	-34	0	0	0	110.5	S132 I135 L147 T182 W237	S132-P145 VanDerWaalsContact CB-O 3.25Å; S132-P145 WeakPolarHBondContact CB-O 3.18Å; S132-P145 PolarHBondContact OG-O 2.72Å; I135-P145 HydrophobicContact CB-CG 4.07Å; I135-P145 HydrophobicContact CD1-CG 3.88Å; I135-P145 HydrophobicContact CG2-CG 3.56Å; P145-L147 HydrophobicContact CB-CD2 4.24Å; P145-L147 HydrophobicContact CG-CD2 4.44Å; P145-T182 HydrophobicContact CB-CG2 3.75Å; P145-W237 HydrophobicContact CB-CD2 4.45Å; P145-W237 HydrophobicContact CB-CZ2 4.19Å; P145-W237 HydrophobicContact CG-CD2 4Å; P145-W237 HydrophobicContact CG-CE3 4.38Å; P145-W237 HydrophobicContact CG-CG 4.49Å; P145-W237 HydrophobicContact CG-CH2 4.37Å; P145-W237 HydrophobicContact CG-CZ2 3.98Å
146	F	98.1	Very high	98.1	Very high	26 Å²	26	34 Å²	34	11%	0.114	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-90.6	116.2	160	-67.9	-93.4	0	0	0	107.1	E112 T182 G183 D184 N190	E112-F146 VanDerWaalsContact OE2-CD1 3.32Å; E112-F146 WeakPolarHBondContact OE2-CD1 3.43Å; E112-F146 WeakPolarHBondContact OE2-CE1 3.33Å; F146-T182 CarbonylContact O-C 3.27Å; F146-T182 WeakPolarHBondContact O-CA 3.38Å; F146-T182 WeakPolarHBondContact O-CB 2.96Å; F146-G183 PolarHBondContact O-N 2.83Å; F146-D184 HydrophobicContact CB-CB 4.35Å; F146-N190 WeakPolarHBondContact CD2-ND2 3.47Å
147	L	98.6	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-78.8	142.6	177.8	-61.7	-166.2	0	0	0	111.1	R114 V128 M131 S132 I135 P145 A149 I180 G183 W237	R114-L147 PolarHBondContact NH1-O 3.19Å; V128-L147 HydrophobicContact CB-CB 3.93Å; V128-L147 HydrophobicContact CG1-CB 4.28Å; M131-L147 HydrophobicContact CB-CD1 3.61Å; M131-L147 HydrophobicContact SD-CD1 4.24Å; S132-L147 PolarHBondContact OG-N 3.04Å; I135-L147 HydrophobicContact CD1-CD1 3.87Å; I135-L147 HydrophobicContact CD1-CD2 4.1Å; I135-L147 HydrophobicContact CD1-CG 4.13Å; P145-L147 HydrophobicContact CB-CD2 4.24Å; P145-L147 HydrophobicContact CG-CD2 4.44Å; L147-A149 PolarHBondContact O-N 2.03Å; L147-I180 HydrophobicContact CB-CG2 4.07Å; L147-I180 HydrophobicContact CD1-CB 4.4Å; L147-G183 CarbonylContact C-O 3.51Å; L147-W237 HydrophobicContact CD1-CB 4.46Å; L147-W237 HydrophobicContact CD2-CB 3.75Å; L147-W237 HydrophobicContact CD2-CG 3.81Å
148	S	98.6	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.			trans	-76.9	109.5	-172.4	-179.1	0	0	0	0	111.9	E150 N151 L152 I180 V181 G183 Q193	S148-E150 PolarHBondContact O-N 3.1Å; S148-E150 WeakPolarHBondContact OG-CB 3.26Å; S148-E150 PolarHBondContact OG-N 2.87Å; S148-N151 PolarHBondContact O-N 3.49Å; S148-N151 PolarHBondContact OG-N 3.46Å; S148-L152 PolarHBondContact O-N 3.38Å; S148-I180 WeakPolarHBondContact O-CG2 3.42Å; S148-V181 WeakPolarHBondContact CB-O 3.46Å; S148-V181 PolarHBondContact N-O 3.03Å; S148-G183 WeakPolarHBondContact CA-O 3.47Å; S148-Q193 WeakPolarHBondContact CB-O 3.43Å; S148-Q193 PolarHBondContact OG-O 2.78Å
149	A	98.3	Very high	97.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-35.3	164.2	0	0	0	0	0	110.9	F125 V128 L147 N151 L152 V153 Y195	F125-A149 HydrophobicContact CD2-CB 3.77Å; F125-A149 HydrophobicContact CE1-CB 4.3Å; F125-A149 HydrophobicContact CE2-CB 3.52Å; F125-A149 HydrophobicContact CG-CB 4.28Å; F125-A149 HydrophobicContact CZ-CB 3.82Å; V128-A149 HydrophobicContact CG2-CB 3.96Å; L147-A149 PolarHBondContact O-N 2.03Å; A149-N151 PolarHBondContact O-N 3.46Å; A149-L152 PolarHBondContact O-N 2.9Å; A149-V153 WeakPolarHBondContact O-CB 3.3Å; A149-V153 WeakPolarHBondContact O-CG2 3.27Å; A149-V153 PolarHBondContact O-N 2.99Å; A149-Y195 HydrophobicContact CB-CD2 4.37Å; A149-Y195 HydrophobicContact CB-CE2 4.46Å
150	E	97.8	Very high	97.8	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	21%	0.209	C	C	.	.	H	α-helix	trans	-56.6	-50.4	176.2	-173.7	59.1	-139.2	0	0	112.1	S148 L152 V153 S154 Y195 E196 P218	S148-E150 PolarHBondContact O-N 3.1Å; S148-E150 WeakPolarHBondContact OG-CB 3.26Å; S148-E150 PolarHBondContact OG-N 2.87Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 3.14Å; E150-V153 PolarHBondContact O-N 3.45Å; E150-S154 VanDerWaalsContact O-CB 3.32Å; E150-S154 WeakPolarHBondContact O-CB 3.06Å; E150-S154 PolarHBondContact O-N 3.35Å; E150-S154 PolarHBondContact O-OG 2.92Å; E150-Y195 HydrophobicContact CB-CD2 4.27Å; E150-Y195 WeakPolarHBondContact OE2-CD2 3.47Å; E150-E196 HydrophobicContact CG-CG 4.27Å; E150-E196 PolarHBondContact OE2-N 3.14Å; E150-P218 WeakPolarHBondContact OE1-CB 3.37Å; E150-P218 WeakPolarHBondContact OE1-CG 3.47Å
151	N	98.6	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-45.6	178.8	-175.4	-108.6	0	0	0	111.4	S148 A149 C155 I180 V181 Q193 Y232	S148-N151 PolarHBondContact O-N 3.49Å; S148-N151 PolarHBondContact OG-N 3.46Å; A149-N151 PolarHBondContact O-N 3.46Å; N151-C155 WeakPolarHBondContact O-CB 2.94Å; N151-C155 PolarHBondContact O-N 2.84Å; N151-I180 HydrophobicContact CB-CG2 4.32Å; N151-V181 HydrophobicContact CB-CG2 3.76Å; N151-Q193 VanDerWaalsContact CB-OE1 3.29Å; N151-Q193 PolarHBondContact ND2-OE1 3.25Å; N151-Y232 PolarHBondContact ND2-OH 2.92Å
152	L	98.6	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-45.5	-178.1	-178.8	59.1	0	0	0	111.5	W123 A124 A127 V128 S148 A149 E150 C156 A171 Y174 I180	W123-L152 HydrophobicContact CH2-CG 4.07Å; W123-L152 HydrophobicContact CZ3-CD1 4.1Å; W123-L152 HydrophobicContact CZ3-CD2 4.08Å; W123-L152 HydrophobicContact CZ3-CG 3.72Å; A124-L152 HydrophobicContact CB-CB 4.35Å; A124-L152 HydrophobicContact CB-CD2 3.72Å; A124-L152 HydrophobicContact CB-CG 4.02Å; A127-L152 HydrophobicContact CB-CD2 4.35Å; V128-L152 HydrophobicContact CG1-CB 4.32Å; V128-L152 HydrophobicContact CG1-CD2 3.73Å; S148-L152 PolarHBondContact O-N 3.38Å; A149-L152 PolarHBondContact O-N 2.9Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 3.14Å; L152-C156 HydrophobicContact CD1-CB 3.97Å; L152-C156 VanDerWaalsContact O-CB 3.24Å; L152-C156 WeakPolarHBondContact O-CB 3.15Å; L152-C156 PolarHBondContact O-N 2.92Å; L152-A171 HydrophobicContact CD1-CB 4.22Å; L152-A171 HydrophobicContact CD2-CB 3.73Å; L152-A171 HydrophobicContact CG-CB 4.46Å; L152-Y174 HydrophobicContact CD1-CD1 3.65Å; L152-Y174 HydrophobicContact CD1-CE1 4.32Å; L152-Y174 HydrophobicContact CD1-CG 4.1Å; L152-I180 HydrophobicContact CB-CD1 4.32Å; L152-I180 HydrophobicContact CD1-CD1 4.06Å; L152-I180 HydrophobicContact CD2-CD1 4.16Å; L152-I180 HydrophobicContact CG-CD1 4.41Å
153	V	98.4	Very high	97.6	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-44.2	179.3	168.6	0	0	0	0	112	W123 A124 A149 E150 T217	W123-V153 HydrophobicContact CZ2-CG2 4.22Å; A124-V153 HydrophobicContact CB-CG2 3.49Å; A124-V153 VanDerWaalsContact CB-CG2 3.49Å; A149-V153 WeakPolarHBondContact O-CB 3.3Å; A149-V153 WeakPolarHBondContact O-CG2 3.27Å; A149-V153 PolarHBondContact O-N 2.99Å; E150-V153 PolarHBondContact O-N 3.45Å; V153-T217 HydrophobicContact CG1-CG2 4.07Å
154	S	97.9	Very high	97.4	Very high	19 Å²	19	31.3 Å²	31.3	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-85.4	-32.5	-172.7	62	0	0	0	0	113.8	E150 P218 C220	E150-S154 VanDerWaalsContact O-CB 3.32Å; E150-S154 WeakPolarHBondContact O-CB 3.06Å; E150-S154 PolarHBondContact O-N 3.35Å; E150-S154 PolarHBondContact O-OG 2.92Å; S154-P218 VanDerWaalsContact CB-O 3.23Å; S154-P218 WeakPolarHBondContact CB-O 3.36Å; S154-C220 WeakPolarHBondContact O-CB 3.44Å
155	C	98.5	Very high	97.4	Very high	18 Å²	18	26.5 Å²	26.5	12%	0.122	17%	0.166	C	C	.	.	H	α-helix	trans	-105.6	-19.2	-171.2	-64.8	0	0	0	0	115.4	N151 S157 C220	N151-C155 WeakPolarHBondContact O-CB 2.94Å; N151-C155 PolarHBondContact O-N 2.84Å; C155-S157 PolarHBondContact O-N 2.94Å; C155-C220 VanDerWaalsContact CA-SG 3.53Å; C155-C220 HydrophobicContact CB-CB 3.91Å; C155-C220 WeakPolarHBondContact CB-SG 3.43Å; C155-C220 WeakPolarHBondContact SG-CA 3.46Å; C155-C220 WeakPolarHBondContact SG-CB 3.38Å; C155-C220 CovalentContact SG-SG 2.04Å; C155-C220 PolarHBondContact SG-SG 3.39Å
156	C	98.5	Very high	97.5	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.047	16%	0.162	C	C	.	.			trans	-82.6	84.9	178.6	-173.4	0	0	0	0	111.9	L152 S158 C159 Y174	L152-C156 HydrophobicContact CD1-CB 3.97Å; L152-C156 VanDerWaalsContact O-CB 3.24Å; L152-C156 WeakPolarHBondContact O-CB 3.15Å; L152-C156 PolarHBondContact O-N 2.92Å; C156-S158 PolarHBondContact O-N 2.83Å; C156-S158 VanDerWaalsContact O-N 3.16Å; C156-C159 HydrophobicContact CB-CB 3.65Å; C156-C159 WeakPolarHBondContact CB-SG 3.39Å; C156-C159 PolarHBondContact O-N 3.04Å; C156-C159 VanDerWaalsContact O-N 3.09Å; C156-C159 WeakPolarHBondContact SG-CB 3.05Å; C156-C159 PolarHBondContact SG-N 2.84Å; C156-C159 CovalentContact SG-SG 2.02Å; C156-C159 PolarHBondContact SG-SG 3.16Å; C156-Y174 HydrophobicContact CB-CD1 4.38Å; C156-Y174 HydrophobicContact CB-CD2 3.64Å; C156-Y174 HydrophobicContact CB-CE2 3.93Å; C156-Y174 HydrophobicContact CB-CG 3.88Å; C156-Y174 WeakPolarHBondContact SG-CD2 3.22Å
157	S	96.6	Very high	97.5	Very high	120 Å²	120	26 Å²	26	84%	0.839	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.9	179.1	63.3	0	0	0	0	114.4	C155	C155-S157 PolarHBondContact O-N 2.94Å
158	S	96.6	Very high	97.5	Very high	80 Å²	80	26.1 Å²	26.1	56%	0.559	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-8.5	176.5	61	0	0	0	0	113.6	C156 G160	C156-S158 PolarHBondContact O-N 2.83Å; C156-S158 VanDerWaalsContact O-N 3.16Å; S158-G160 VanDerWaalsContact C-N 3.28Å; S158-G160 PolarHBondContact O-N 2.72Å
159	C	98.2	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-83.3	-4.2	-176.6	-66.1	0	0	0	0	113.2	W123 C156 G166 F167 S170	W123-C159 HydrophobicContact CE3-CB 4.22Å; W123-C159 HydrophobicContact CH2-CB 3.51Å; W123-C159 HydrophobicContact CZ2-CB 4.44Å; W123-C159 HydrophobicContact CZ3-CB 3.37Å; C156-C159 HydrophobicContact CB-CB 3.65Å; C156-C159 WeakPolarHBondContact CB-SG 3.39Å; C156-C159 PolarHBondContact O-N 3.04Å; C156-C159 VanDerWaalsContact O-N 3.09Å; C156-C159 WeakPolarHBondContact SG-CB 3.05Å; C156-C159 PolarHBondContact SG-N 2.84Å; C156-C159 CovalentContact SG-SG 2.02Å; C156-C159 PolarHBondContact SG-SG 3.16Å; C159-G166 CarbonylContact O-C 3.54Å; C159-G166 WeakPolarHBondContact O-CA 3.32Å; C159-F167 WeakPolarHBondContact O-CD2 3.03Å; C159-F167 PolarHBondContact O-N 2.87Å; C159-S170 VanDerWaalsContact SG-C 3.52Å; C159-S170 PolarHBondContact SG-O 2.8Å
160	G	96	Very high	97.5	Very high	25 Å²	25	26.8 Å²	26.8	26%	0.258	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	126.8	-135.3	-178.8	0	0	0	0	0	112.1	S158	S158-G160 VanDerWaalsContact C-N 3.28Å; S158-G160 PolarHBondContact O-N 2.72Å
161	M	96.5	Very high	97.5	Very high	110 Å²	110	26.6 Å²	26.6	54%	0.542	17%	0.166	S	C	.	.	S	Bend	trans	-117.6	25.4	-167.6	-63.8	167.8	-84.7	0	0	112.8	L74 C163 N164 G165 T217	L74-M161 HydrophobicContact CD1-CE 3.46Å; L74-M161 VanDerWaalsContact CD1-CE 3.46Å; M161-C163 PolarHBondContact O-N 3.01Å; M161-N164 HydrophobicContact CB-CB 3.86Å; M161-N164 PolarHBondContact O-N 2.85Å; M161-N164 VanDerWaalsContact O-N 3.12Å; M161-G165 CarbonylContact C-O 3.5Å; M161-G165 WeakPolarHBondContact CA-O 3.47Å; M161-G165 PolarHBondContact N-O 3.37Å; M161-T217 PolarHBondContact O-OG1 3.04Å
162	G	96.3	Very high	97.6	Very high	6 Å²	6	26.6 Å²	26.6	6%	0.062	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	63.9	-115.8	176.5	0	0	0	0	0	112.4	W123 N164 G165 T217	W123-G162 PolarHBondContact NE1-O 3.39Å; W123-G162 VanDerWaalsContact NE1-O 3.11Å; G162-N164 PolarHBondContact O-N 2.82Å; G162-G165 PolarHBondContact N-O 2.97Å; G162-G165 PolarHBondContact O-N 2.73Å; G162-T217 WeakPolarHBondContact CA-OG1 3.42Å
163	C	95.2	Very high	97.6	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.041	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-69.1	-12.7	176.7	-70.4	0	0	0	0	114.5	C119 G120 M161 G165 V215 T217	C119-C163 HydrophobicContact CB-CB 3.95Å; C119-C163 WeakPolarHBondContact CB-SG 3.34Å; C119-C163 WeakPolarHBondContact SG-CA 3.37Å; C119-C163 WeakPolarHBondContact SG-CB 3.37Å; C119-C163 CovalentContact SG-SG 2.04Å; C119-C163 PolarHBondContact SG-SG 2.79Å; G120-C163 WeakPolarHBondContact CA-O 3.42Å; G120-C163 PolarHBondContact N-O 3.44Å; M161-C163 PolarHBondContact O-N 3.01Å; C163-G165 VanDerWaalsContact C-N 3.26Å; C163-V215 HydrophobicContact CB-CG2 4.39Å; C163-T217 PolarHBondContact N-OG1 2.64Å
164	N	94.3	Very high	97.6	Very high	116 Å²	116	30.3 Å²	30.3	62%	0.62	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-92.3	15	172.8	-60.7	-63.2	0	0	0	112.7	M161 G162	M161-N164 HydrophobicContact CB-CB 3.86Å; M161-N164 PolarHBondContact O-N 2.85Å; M161-N164 VanDerWaalsContact O-N 3.12Å; G162-N164 PolarHBondContact O-N 2.82Å
165	G	97.2	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.			trans	101.2	166.5	177.7	0	0	0	0	0	114.3	G72 M161 G162 C163	G72-G165 CarbonylContact O-C 3.59Å; G72-G165 WeakPolarHBondContact O-CA 3Å; M161-G165 CarbonylContact C-O 3.5Å; M161-G165 WeakPolarHBondContact CA-O 3.47Å; M161-G165 PolarHBondContact N-O 3.37Å; G162-G165 PolarHBondContact N-O 2.97Å; G162-G165 PolarHBondContact O-N 2.73Å; C163-G165 VanDerWaalsContact C-N 3.26Å
166	G	98.2	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-165.5	176.7	-174.6	0	0	0	0	0	113.2	G72 L74 C159	G72-G166 PolarHBondContact O-N 3.44Å; L74-G166 PolarHBondContact N-O 3.47Å; C159-G166 CarbonylContact O-C 3.54Å; C159-G166 WeakPolarHBondContact O-CA 3.32Å
167	F	98.5	Very high	97.6	Very high	27 Å²	27	37 Å²	37	12%	0.118	21%	0.213	C	C	.	.			trans	-102.5	113.9	-172	-42.3	-58.8	0	0	0	109.6	L74 P75 D76 P77 C159 H169 S170 A171	L74-F167 HydrophobicContact CB-CD1 3.99Å; L74-F167 HydrophobicContact CB-CE1 3.89Å; P75-F167 WeakPolarHBondContact O-CE1 3.18Å; D76-F167 HydrophobicContact CB-CD1 4.32Å; P77-F167 HydrophobicContact CG-CZ 4.37Å; C159-F167 WeakPolarHBondContact O-CD2 3.03Å; C159-F167 PolarHBondContact O-N 2.87Å; F167-H169 VanDerWaalsContact C-N 3.35Å; F167-H169 PolarHBondContact O-N 2.87Å; F167-S170 WeakPolarHBondContact O-CB 3.17Å; F167-S170 PolarHBondContact O-N 3.1Å; F167-A171 PolarHBondContact O-N 2.86Å
168	P	98.7	Very high	97.7	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-51.2	-48.8	-178.1	-30.5	36.7	0	0	0	113.3	A73 W123 S170 A171 D265 A292	A73-P168 HydrophobicContact CB-CG 4.27Å; W123-P168 HydrophobicContact CB-CG 4.32Å; P168-S170 PolarHBondContact O-N 3.05Å; P168-S170 VanDerWaalsContact O-N 3.11Å; P168-A171 VanDerWaalsContact O-CB 3.31Å; P168-A171 WeakPolarHBondContact O-CB 3.37Å; P168-A171 PolarHBondContact O-N 3.02Å; P168-D265 HydrophobicContact CG-CB 4.49Å; P168-A292 HydrophobicContact CG-CB 4.4Å
169	H	98.5	Very high	97.8	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-54.3	-37.1	179.3	80.1	-89	0	0	0	113.2	D76 E80 L82 F167 W172 L173	D76-H169 IonicContact OD2-CE1 3.19Å; D76-H169 PolarHBondContact OD2-CE1 3.24Å; D76-H169 VanDerWaalsContact OD2-CE1 3.28Å; D76-H169 IonicContact OD2-NE2 3.79Å; E80-H169 PolarHBondContact O-ND1 3.44Å; L82-H169 HydrophobicContact CD2-CB 4.31Å; L82-H169 WeakPolarHBondContact CD2-O 3.41Å; L82-H169 HydrophobicContact CG-CB 3.89Å; F167-H169 VanDerWaalsContact C-N 3.35Å; F167-H169 PolarHBondContact O-N 2.87Å; H169-W172 PolarHBondContact O-N 3Å; H169-L173 PolarHBondContact O-N 2.89Å; H169-L173 VanDerWaalsContact O-N 3.16Å
170	S	98.6	Very high	97.8	Very high	11 Å²	11	32.3 Å²	32.3	8%	0.077	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-30.6	-178.9	-83	0	0	0	0	112.4	C159 F167 P168 W172 L173 Y174	C159-S170 VanDerWaalsContact SG-C 3.52Å; C159-S170 PolarHBondContact SG-O 2.8Å; F167-S170 WeakPolarHBondContact O-CB 3.17Å; F167-S170 PolarHBondContact O-N 3.1Å; P168-S170 PolarHBondContact O-N 3.05Å; P168-S170 VanDerWaalsContact O-N 3.11Å; S170-W172 VanDerWaalsContact C-N 3.31Å; S170-W172 PolarHBondContact O-N 2.8Å; S170-L173 PolarHBondContact O-N 3.11Å; S170-Y174 WeakPolarHBondContact O-CB 3.26Å; S170-Y174 PolarHBondContact O-N 2.79Å
171	A	98.8	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-43.3	173.3	0	0	0	0	0	111.9	W123 A127 L152 F167 P168 Y174 W175	W123-A171 HydrophobicContact CE3-CB 4.02Å; W123-A171 HydrophobicContact CZ3-CB 4.08Å; A127-A171 HydrophobicContact CB-CB 3.73Å; L152-A171 HydrophobicContact CD1-CB 4.22Å; L152-A171 HydrophobicContact CD2-CB 3.73Å; L152-A171 HydrophobicContact CG-CB 4.46Å; F167-A171 PolarHBondContact O-N 2.86Å; P168-A171 VanDerWaalsContact O-CB 3.31Å; P168-A171 WeakPolarHBondContact O-CB 3.37Å; P168-A171 PolarHBondContact O-N 3.02Å; A171-Y174 PolarHBondContact O-N 2.8Å; A171-W175 PolarHBondContact O-N 3.45Å
172	W	98.8	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-41.7	175.9	-69	86.6	0	0	0	112	L82 A130 M131 H169 S170 Y174 W175 K176 V242 E263 N339	L82-W172 HydrophobicContact CD1-CB 3.8Å; L82-W172 HydrophobicContact CD1-CG 4.11Å; L82-W172 HydrophobicContact CD2-CB 4.49Å; A130-W172 HydrophobicContact CB-CH2 3.9Å; A130-W172 HydrophobicContact CB-CZ2 3.92Å; M131-W172 HydrophobicContact CE-CB 4.37Å; M131-W172 HydrophobicContact CE-CD2 3.61Å; M131-W172 HydrophobicContact CE-CE3 3.75Å; M131-W172 HydrophobicContact CE-CG 3.9Å; M131-W172 HydrophobicContact CE-CZ2 4.48Å; M131-W172 HydrophobicContact CE-CZ3 4.23Å; M131-W172 HydrophobicContact CG-CE3 4.21Å; M131-W172 HydrophobicContact CG-CH2 3.96Å; M131-W172 HydrophobicContact CG-CZ3 3.77Å; H169-W172 PolarHBondContact O-N 3Å; S170-W172 VanDerWaalsContact C-N 3.31Å; S170-W172 PolarHBondContact O-N 2.8Å; W172-Y174 VanDerWaalsContact C-N 3.32Å; W172-Y174 PolarHBondContact O-N 3.15Å; W172-W175 AromaticContact CE3-CE3 3.87Å; W172-W175 HydrophobicContact CE3-CE3 3.87Å; W172-W175 AromaticContact CE3-CZ3 3.97Å; W172-W175 HydrophobicContact CE3-CZ3 3.97Å; W172-W175 HydrophobicContact CZ3-CE3 4.1Å; W172-W175 AromaticContact CZ3-CZ3 3.8Å; W172-W175 HydrophobicContact CZ3-CZ3 3.8Å; W172-W175 PolarHBondContact O-N 3.26Å; W172-K176 PolarHBondContact O-N 3.43Å; W172-V242 HydrophobicContact CB-CB 3.98Å; W172-V242 HydrophobicContact CB-CG1 3.95Å; W172-V242 HydrophobicContact CB-CG2 4.45Å; W172-V242 HydrophobicContact CE3-CG1 4.08Å; W172-V242 WeakPolarHBondContact O-CG1 3.34Å; W172-E263 HydrophobicContact CZ2-CB 3.95Å; W172-E263 PolarHBondContact NE1-OE2 3.35Å; W172-N339 HydrophobicContact CG-CB 4.29Å; W172-N339 VanDerWaalsContact CZ2-O 3.3Å; W172-N339 WeakPolarHBondContact CZ2-O 3.28Å; W172-N339 VanDerWaalsContact NE1-CB 3.32Å
173	L	98.7	Very high	98.1	Very high	59 Å²	59	26 Å²	26	31%	0.309	13%	0.13	S	C	.	.	H	α-helix	trans	-60.2	-41.4	173.5	-70.8	173.1	0	0	0	111.9	L82 H169 S170 K176 N177 V242	L82-L173 HydrophobicContact CD2-CD1 4.34Å; L82-L173 HydrophobicContact CD2-CD2 3.86Å; L82-L173 HydrophobicContact CD2-CG 3.71Å; H169-L173 PolarHBondContact O-N 2.89Å; H169-L173 VanDerWaalsContact O-N 3.16Å; S170-L173 PolarHBondContact O-N 3.11Å; L173-K176 PolarHBondContact O-N 3.41Å; L173-N177 VanDerWaalsContact O-CB 3.3Å; L173-N177 WeakPolarHBondContact O-CB 3.46Å; L173-N177 PolarHBondContact O-N 2.76Å; L173-N177 PolarHBondContact O-ND2 3.46Å; L173-V242 HydrophobicContact CD2-CG2 4Å
174	Y	98.8	Very high	98.1	Very high	24 Å²	24	26.6 Å²	26.6	9%	0.094	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.6	-176.6	-92.2	0	0	0	111.5	L152 C156 S170 A171 W172 K176 N177 Q178 G179 I180	L152-Y174 HydrophobicContact CD1-CD1 3.65Å; L152-Y174 HydrophobicContact CD1-CE1 4.32Å; L152-Y174 HydrophobicContact CD1-CG 4.1Å; C156-Y174 HydrophobicContact CB-CD1 4.38Å; C156-Y174 HydrophobicContact CB-CD2 3.64Å; C156-Y174 HydrophobicContact CB-CE2 3.93Å; C156-Y174 HydrophobicContact CB-CG 3.88Å; C156-Y174 WeakPolarHBondContact SG-CD2 3.22Å; S170-Y174 WeakPolarHBondContact O-CB 3.26Å; S170-Y174 PolarHBondContact O-N 2.79Å; A171-Y174 PolarHBondContact O-N 2.8Å; W172-Y174 VanDerWaalsContact C-N 3.32Å; W172-Y174 PolarHBondContact O-N 3.15Å; Y174-K176 VanDerWaalsContact C-N 3.29Å; Y174-K176 PolarHBondContact O-N 3.16Å; Y174-N177 PolarHBondContact O-N 3.47Å; Y174-Q178 HydrophobicContact CD1-CB 4.38Å; Y174-Q178 HydrophobicContact CD2-CB 3.83Å; Y174-Q178 HydrophobicContact CD2-CG 3.76Å; Y174-Q178 HydrophobicContact CE1-CB 4.15Å; Y174-Q178 HydrophobicContact CE2-CB 3.57Å; Y174-Q178 HydrophobicContact CE2-CG 3.68Å; Y174-Q178 HydrophobicContact CG-CB 4.24Å; Y174-Q178 WeakPolarHBondContact O-CA 3.15Å; Y174-Q178 PolarHBondContact O-N 3.44Å; Y174-G179 WeakPolarHBondContact CE1-O 3.43Å; Y174-G179 PolarHBondContact O-N 3.07Å; Y174-G179 VanDerWaalsContact O-N 3.14Å; Y174-I180 HydrophobicContact CD1-CD1 4.3Å; Y174-I180 HydrophobicContact CD1-CG1 3.81Å; Y174-I180 HydrophobicContact CE1-CG1 3.9Å
175	W	98.8	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-39.6	175.4	179.6	53	0	0	0	112.9	M131 I135 A171 W172 G179 I180 W237 Y238 G239 V242 P343	M131-W175 HydrophobicContact CB-CD2 4.43Å; M131-W175 HydrophobicContact CB-CH2 4.46Å; M131-W175 HydrophobicContact CB-CZ2 4.21Å; M131-W175 HydrophobicContact CE-CB 3.63Å; M131-W175 HydrophobicContact CE-CD2 4.15Å; M131-W175 HydrophobicContact CE-CE3 4.1Å; M131-W175 HydrophobicContact CE-CG 4Å; M131-W175 HydrophobicContact CG-CD2 3.76Å; M131-W175 HydrophobicContact CG-CE3 3.78Å; M131-W175 HydrophobicContact CG-CG 4.27Å; M131-W175 HydrophobicContact CG-CH2 4.27Å; M131-W175 HydrophobicContact CG-CZ2 4.27Å; M131-W175 HydrophobicContact CG-CZ3 4.04Å; M131-W175 HydrophobicContact SD-CB 3.69Å; M131-W175 HydrophobicContact SD-CD2 3.65Å; M131-W175 HydrophobicContact SD-CE3 4.07Å; M131-W175 HydrophobicContact SD-CG 3.49Å; I135-W175 HydrophobicContact CD1-CZ2 4.25Å; I135-W175 HydrophobicContact CG1-CZ2 4.25Å; A171-W175 PolarHBondContact O-N 3.45Å; W172-W175 AromaticContact CE3-CE3 3.87Å; W172-W175 HydrophobicContact CE3-CE3 3.87Å; W172-W175 AromaticContact CE3-CZ3 3.97Å; W172-W175 HydrophobicContact CE3-CZ3 3.97Å; W172-W175 HydrophobicContact CZ3-CE3 4.1Å; W172-W175 AromaticContact CZ3-CZ3 3.8Å; W172-W175 HydrophobicContact CZ3-CZ3 3.8Å; W172-W175 PolarHBondContact O-N 3.26Å; W175-G179 WeakPolarHBondContact O-CA 3.18Å; W175-G179 PolarHBondContact O-N 2.75Å; W175-I180 HydrophobicContact CB-CD1 3.85Å; W175-I180 HydrophobicContact CB-CG1 4.37Å; W175-I180 HydrophobicContact CG-CD1 4.27Å; W175-W237 PolarHBondContact NE1-O 3.48Å; W175-Y238 WeakPolarHBondContact O-CA 3.24Å; W175-G239 VanDerWaalsContact CD2-N 3.27Å; W175-G239 VanDerWaalsContact CE3-CA 3.46Å; W175-G239 PolarHBondContact O-N 2.98Å; W175-G239 VanDerWaalsContact O-N 3.15Å; W175-V242 HydrophobicContact CE3-CG1 4.03Å; W175-V242 HydrophobicContact CZ3-CG1 4.38Å; W175-P343 VanDerWaalsContact CH2-CA 3.5Å; W175-P343 HydrophobicContact CH2-CB 3.69Å; W175-P343 HydrophobicContact CZ2-CB 3.73Å
176	K	98.7	Very high	97.7	Very high	89 Å²	89	28.1 Å²	28.1	39%	0.387	13%	0.133	S	C	.	.	H	α-helix	trans	-68	-44.5	174.9	-179.7	178.3	171.5	-169.2	0	112.6	W172 L173 Y174 V242	W172-K176 PolarHBondContact O-N 3.43Å; L173-K176 PolarHBondContact O-N 3.41Å; Y174-K176 VanDerWaalsContact C-N 3.29Å; Y174-K176 PolarHBondContact O-N 3.16Å; K176-V242 HydrophobicContact CB-CG1 4.1Å; K176-V242 HydrophobicContact CB-CG2 4.3Å; K176-V242 HydrophobicContact CD-CG2 3.88Å
177	N	98.4	Very high	97.2	Very high	97 Å²	97	34.9 Å²	34.9	52%	0.519	17%	0.17	S	C	.	.	H	α-helix	trans	-91.7	-36.4	-166.6	-65.2	-25.8	0	0	0	113.9	L173 Y174	L173-N177 VanDerWaalsContact O-CB 3.3Å; L173-N177 WeakPolarHBondContact O-CB 3.46Å; L173-N177 PolarHBondContact O-N 2.76Å; L173-N177 PolarHBondContact O-ND2 3.46Å; Y174-N177 PolarHBondContact O-N 3.47Å
178	Q	98.4	Very high	96.9	Very high	100 Å²	100	35.3 Å²	35.3	47%	0.467	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-22.8	-173.2	-58.9	-55.7	-37.7	0	0	113	Y174 K236 Y238	Y174-Q178 HydrophobicContact CD1-CB 4.38Å; Y174-Q178 HydrophobicContact CD2-CB 3.83Å; Y174-Q178 HydrophobicContact CD2-CG 3.76Å; Y174-Q178 HydrophobicContact CE1-CB 4.15Å; Y174-Q178 HydrophobicContact CE2-CB 3.57Å; Y174-Q178 HydrophobicContact CE2-CG 3.68Å; Y174-Q178 HydrophobicContact CG-CB 4.24Å; Y174-Q178 WeakPolarHBondContact O-CA 3.15Å; Y174-Q178 PolarHBondContact O-N 3.44Å; Q178-K236 WeakPolarHBondContact O-CD 3.18Å; Q178-Y238 VanDerWaalsContact C-CE1 3.46Å; Q178-Y238 WeakPolarHBondContact O-CE1 3.23Å
179	G	98.5	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.			trans	72	158.5	-175.1	0	0	0	0	0	112.7	Y174 W175 W237	Y174-G179 WeakPolarHBondContact CE1-O 3.43Å; Y174-G179 PolarHBondContact O-N 3.07Å; Y174-G179 VanDerWaalsContact O-N 3.14Å; W175-G179 WeakPolarHBondContact O-CA 3.18Å; W175-G179 PolarHBondContact O-N 2.75Å; G179-W237 CarbonylContact C-O 3.5Å; G179-W237 WeakPolarHBondContact CA-O 3.47Å
180	I	98.8	Very high	96.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-123.9	132.1	-178.5	-62.4	170.6	0	0	0	108.2	V128 M131 L147 S148 N151 L152 Y174 W175 K236 W237	V128-I180 HydrophobicContact CG1-CD1 4.17Å; M131-I180 HydrophobicContact SD-CD1 3.88Å; L147-I180 HydrophobicContact CB-CG2 4.07Å; L147-I180 HydrophobicContact CD1-CB 4.4Å; S148-I180 WeakPolarHBondContact O-CG2 3.42Å; N151-I180 HydrophobicContact CB-CG2 4.32Å; L152-I180 HydrophobicContact CB-CD1 4.32Å; L152-I180 HydrophobicContact CD1-CD1 4.06Å; L152-I180 HydrophobicContact CD2-CD1 4.16Å; L152-I180 HydrophobicContact CG-CD1 4.41Å; Y174-I180 HydrophobicContact CD1-CD1 4.3Å; Y174-I180 HydrophobicContact CD1-CG1 3.81Å; Y174-I180 HydrophobicContact CE1-CG1 3.9Å; W175-I180 HydrophobicContact CB-CD1 3.85Å; W175-I180 HydrophobicContact CB-CG1 4.37Å; W175-I180 HydrophobicContact CG-CD1 4.27Å; I180-K236 WeakPolarHBondContact O-CA 3.43Å; I180-W237 PolarHBondContact N-O 3.41Å; I180-W237 PolarHBondContact O-N 2.9Å
181	V	98.7	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.			trans	-74	163.5	174.7	-62.3	0	0	0	0	111.2	S148 N151 C192 Q193 Y232 D235 K236	S148-V181 WeakPolarHBondContact CB-O 3.46Å; S148-V181 PolarHBondContact N-O 3.03Å; N151-V181 HydrophobicContact CB-CG2 3.76Å; V181-C192 HydrophobicContact CB-CB 3.88Å; V181-C192 HydrophobicContact CG2-CB 4.05Å; V181-Q193 HydrophobicContact CG2-CB 4.01Å; V181-Q193 HydrophobicContact CG2-CG 3.98Å; V181-Y232 HydrophobicContact CB-CE2 4.46Å; V181-Y232 HydrophobicContact CG1-CD2 3.67Å; V181-Y232 HydrophobicContact CG1-CE2 3.58Å; V181-Y232 HydrophobicContact CG1-CG 4.2Å; V181-Y232 WeakPolarHBondContact CG1-O 3.36Å; V181-Y232 HydrophobicContact CG2-CD2 4.48Å; V181-Y232 HydrophobicContact CG2-CE2 4.07Å; V181-D235 HydrophobicContact CB-CB 4.44Å; V181-D235 WeakPolarHBondContact CB-OD2 3.26Å; V181-D235 HydrophobicContact CG1-CB 4.29Å; V181-K236 HydrophobicContact CG1-CG 3.65Å
182	T	98.6	Very high	96.2	Very high	10 Å²	10	43.9 Å²	43.9	6%	0.061	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-70.4	152.4	173.5	62.4	0	0	0	0	111.3	P145 F146 G191 C192 Q193 Y228 D235	P145-T182 HydrophobicContact CB-CG2 3.75Å; F146-T182 CarbonylContact O-C 3.27Å; F146-T182 WeakPolarHBondContact O-CA 3.38Å; F146-T182 WeakPolarHBondContact O-CB 2.96Å; T182-G191 WeakPolarHBondContact OG1-CA 3.17Å; T182-C192 CarbonylContact O-C 3.33Å; T182-C192 WeakPolarHBondContact O-CA 3.45Å; T182-C192 WeakPolarHBondContact O-CB 3.44Å; T182-C192 PolarHBondContact O-N 3.37Å; T182-C192 PolarHBondContact OG1-N 3.35Å; T182-Q193 PolarHBondContact O-N 3.09Å; T182-Y228 PolarHBondContact OG1-OH 2.82Å; T182-Y228 VanDerWaalsContact OG1-OH 3.12Å; T182-D235 WeakPolarHBondContact CB-OD2 3.39Å; T182-D235 PolarHBondContact N-OD2 3.17Å; T182-D235 PolarHBondContact OG1-OD1 2.82Å; T182-D235 PolarHBondContact OG1-OD2 3.27Å
183	G	97.7	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.			trans	172.6	118	-177.5	0	0	0	0	0	112.3	R114 F146 L147 S148 Q193	R114-G183 PolarHBondContact NH2-O 2.84Å; F146-G183 PolarHBondContact O-N 2.83Å; L147-G183 CarbonylContact C-O 3.51Å; S148-G183 WeakPolarHBondContact CA-O 3.47Å; G183-Q193 WeakPolarHBondContact CA-O 3.16Å
184	D	94.2	Very high	96.1	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.091	22%	0.219	C	C	.	.			trans	-94	-158.3	179.9	-160.3	-11.5	0	0	0	110.8	R114 F146 T188 N190 P194 Y195	R114-D184 PolarHBondContact NH2-O 3.29Å; R114-D184 IonicContact NH2-OD1 3.86Å; F146-D184 HydrophobicContact CB-CB 4.35Å; D184-T188 HydrophobicContact CB-CG2 4.42Å; D184-T188 WeakPolarHBondContact CB-OG1 3.32Å; D184-N190 HydrophobicContact CB-CB 3.91Å; D184-N190 WeakPolarHBondContact CB-O 3Å; D184-N190 PolarHBondContact N-O 3.34Å; D184-N190 VanDerWaalsContact N-O 3.13Å; D184-N190 PolarHBondContact OD2-ND2 2.79Å; D184-P194 WeakPolarHBondContact O-CA 3.46Å; D184-Y195 PolarHBondContact O-N 3.28Å
185	L	92	Very high	96	Very high	41 Å²	41	41.8 Å²	41.8	22%	0.215	22%	0.216	C	C	.	.	S	Bend	trans	-71	173.8	-179.3	-64.9	175.8	0	0	0	112.7	R114 F125 T188 P194	R114-L185 HydrophobicContact CB-CD2 4.01Å; R114-L185 HydrophobicContact CG-CD2 4.35Å; F125-L185 HydrophobicContact CE1-CD2 4.32Å; L185-T188 HydrophobicContact CB-CG2 4.39Å; L185-T188 WeakPolarHBondContact O-CB 3.36Å; L185-T188 VanDerWaalsContact O-CG2 3.23Å; L185-T188 WeakPolarHBondContact O-CG2 3.28Å; L185-T188 PolarHBondContact O-N 3.18Å; L185-T188 PolarHBondContact O-OG1 3.31Å; L185-P194 WeakPolarHBondContact O-CB 3.28Å
186	Y	90.8	Very high	95.6	Very high	107 Å²	107	45.7 Å²	45.7	42%	0.42	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	140.8	178.9	175.9	-97.9	0	0	0	114	T188 Y195 E196 F197 P198	Y186-T188 PolarHBondContact O-N 3.37Å; Y186-Y195 WeakPolarHBondContact CA-O 3.43Å; Y186-E196 VanDerWaalsContact CD2-O 3.29Å; Y186-E196 WeakPolarHBondContact CD2-O 3.47Å; Y186-E196 WeakPolarHBondContact CE2-O 3.36Å; Y186-F197 WeakPolarHBondContact CB-O 3.19Å; Y186-P198 HydrophobicContact CD1-CB 3.77Å; Y186-P198 HydrophobicContact CD2-CB 4.25Å; Y186-P198 HydrophobicContact CE1-CB 3.7Å; Y186-P198 HydrophobicContact CE2-CB 4.18Å; Y186-P198 VanDerWaalsContact CG-CA 3.47Å; Y186-P198 HydrophobicContact CG-CB 4.05Å
187	N	88.7	Confident	95.1	Very high	143 Å²	143	42.7 Å²	42.7	77%	0.765	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	29.1	178.2	-163.2	32.3	0	0	0	114.2
188	T	91.8	Very high	94.2	Very high	35 Å²	35	40.3 Å²	40.3	22%	0.215	21%	0.211	C	C	.	.			trans	-101.7	145.6	172.4	65.2	0	0	0	0	111	D184 L185 Y186 N190 Q225	D184-T188 HydrophobicContact CB-CG2 4.42Å; D184-T188 WeakPolarHBondContact CB-OG1 3.32Å; L185-T188 HydrophobicContact CB-CG2 4.39Å; L185-T188 WeakPolarHBondContact O-CB 3.36Å; L185-T188 VanDerWaalsContact O-CG2 3.23Å; L185-T188 WeakPolarHBondContact O-CG2 3.28Å; L185-T188 PolarHBondContact O-N 3.18Å; L185-T188 PolarHBondContact O-OG1 3.31Å; Y186-T188 PolarHBondContact O-N 3.37Å; T188-N190 VanDerWaalsContact C-N 3.27Å; T188-Q225 PolarHBondContact O-NE2 3.49Å; T188-Q225 PolarHBondContact O-OE1 3.02Å
189	T	92.6	Very high	93	Very high	123 Å²	123	37.6 Å²	37.6	76%	0.755	20%	0.202	S	C	*	.			trans	-90.8	5.9	170.4	60.8	0	0	0	0	112.1	G191	T189-G191 PolarHBondContact O-N 3.29Å
190	N	92.7	Very high	91.6	Very high	75 Å²	75	37.8 Å²	37.8	40%	0.401	20%	0.203	S	C	.	.	S	Bend	trans	-84.4	89.8	-176.5	-174.3	30.7	0	0	0	109.9	F146 D184 T188	F146-N190 WeakPolarHBondContact CD2-ND2 3.47Å; D184-N190 HydrophobicContact CB-CB 3.91Å; D184-N190 WeakPolarHBondContact CB-O 3Å; D184-N190 PolarHBondContact N-O 3.34Å; D184-N190 VanDerWaalsContact N-O 3.13Å; D184-N190 PolarHBondContact OD2-ND2 2.79Å; T188-N190 VanDerWaalsContact C-N 3.27Å
191	G	97	Very high	89.9	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.021	21%	0.206	C	C	.	.	S	Bend	trans	110.7	176.3	174.6	0	0	0	0	0	114.5	T182 T189 Q225 Y228	T182-G191 WeakPolarHBondContact OG1-CA 3.17Å; T189-G191 PolarHBondContact O-N 3.29Å; G191-Q225 PolarHBondContact O-NE2 3.3Å; G191-Y228 VanDerWaalsContact CA-CE2 3.43Å; G191-Y228 VanDerWaalsContact O-CD2 3.28Å; G191-Y228 WeakPolarHBondContact O-CD2 3.33Å
192	C	98.4	Very high	87.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-69.6	-46.1	-174.8	177.7	0	0	0	0	113.3	V181 T182 C224 Q225 Y228 D235	V181-C192 HydrophobicContact CB-CB 3.88Å; V181-C192 HydrophobicContact CG2-CB 4.05Å; T182-C192 CarbonylContact O-C 3.33Å; T182-C192 WeakPolarHBondContact O-CA 3.45Å; T182-C192 WeakPolarHBondContact O-CB 3.44Å; T182-C192 PolarHBondContact O-N 3.37Å; T182-C192 PolarHBondContact OG1-N 3.35Å; C192-C224 HydrophobicContact CB-CB 3.83Å; C192-C224 WeakPolarHBondContact CB-SG 3.17Å; C192-C224 CarbonylContact O-C 3.53Å; C192-C224 VanDerWaalsContact O-CA 3.27Å; C192-C224 WeakPolarHBondContact O-CA 3.22Å; C192-C224 WeakPolarHBondContact O-CB 3.23Å; C192-C224 WeakPolarHBondContact SG-CA 3.24Å; C192-C224 WeakPolarHBondContact SG-CB 3.48Å; C192-C224 CovalentContact SG-SG 2.03Å; C192-C224 PolarHBondContact SG-SG 2.89Å; C192-Q225 PolarHBondContact O-N 3.19Å; C192-Y228 HydrophobicContact CB-CD1 3.92Å; C192-Y228 HydrophobicContact CB-CE1 3.74Å; C192-D235 HydrophobicContact CB-CB 4.33Å; C192-D235 WeakPolarHBondContact CB-OD2 3.43Å
193	Q	97.9	Very high	85.6	Confident	13 Å²	13	43.7 Å²	43.7	6%	0.061	23%	0.23	C	C	.	.	S	Bend	trans	-134.1	86.6	-174	-71.7	-177.1	-29.4	0	0	110.9	S148 N151 V181 T182 G183 K221 N223	S148-Q193 WeakPolarHBondContact CB-O 3.43Å; S148-Q193 PolarHBondContact OG-O 2.78Å; N151-Q193 VanDerWaalsContact CB-OE1 3.29Å; N151-Q193 PolarHBondContact ND2-OE1 3.25Å; V181-Q193 HydrophobicContact CG2-CB 4.01Å; V181-Q193 HydrophobicContact CG2-CG 3.98Å; T182-Q193 PolarHBondContact O-N 3.09Å; G183-Q193 WeakPolarHBondContact CA-O 3.16Å; Q193-K221 PolarHBondContact NE2-O 3.11Å; Q193-N223 PolarHBondContact NE2-O 2.91Å
194	P	97.1	Very high	83.4	Confident	21 Å²	21	46.5 Å²	46.5	14%	0.136	25%	0.247	C	C	.	.			trans	-66.2	157.1	175.3	31.7	-34.9	0	0	0	110.1	D184 L185 E196	D184-P194 WeakPolarHBondContact O-CA 3.46Å; L185-P194 WeakPolarHBondContact O-CB 3.28Å; P194-E196 PolarHBondContact O-N 3.16Å
195	Y	95.7	Very high	81.4	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.016	29%	0.288	C	S	.	.			trans	-61.1	133.3	178.6	-158.7	-130	0	0	0	112.2	Q116 C119 S121 F125 A149 E150 D184 Y186 F197	Q116-Y195 PolarHBondContact O-OH 2.97Å; Q116-Y195 VanDerWaalsContact O-OH 3.05Å; C119-Y195 WeakPolarHBondContact CB-OH 3.5Å; S121-Y195 PolarHBondContact OG-OH 3.47Å; F125-Y195 HydrophobicContact CE2-CD2 4.26Å; F125-Y195 AromaticContact CE2-CE1 3.97Å; F125-Y195 HydrophobicContact CE2-CE1 3.97Å; F125-Y195 AromaticContact CE2-CE2 3.67Å; F125-Y195 HydrophobicContact CE2-CE2 3.67Å; F125-Y195 AromaticContact CE2-CZ 3.48Å; F125-Y195 VanDerWaalsContact CE2-CZ 3.48Å; F125-Y195 AromaticContact CZ-CD1 3.95Å; F125-Y195 HydrophobicContact CZ-CD1 3.95Å; F125-Y195 HydrophobicContact CZ-CD2 4.13Å; F125-Y195 AromaticContact CZ-CE1 3.72Å; F125-Y195 HydrophobicContact CZ-CE1 3.72Å; F125-Y195 AromaticContact CZ-CE2 3.94Å; F125-Y195 HydrophobicContact CZ-CE2 3.94Å; F125-Y195 HydrophobicContact CZ-CG 4.14Å; F125-Y195 AromaticContact CZ-CZ 3.71Å; A149-Y195 HydrophobicContact CB-CD2 4.37Å; A149-Y195 HydrophobicContact CB-CE2 4.46Å; E150-Y195 HydrophobicContact CB-CD2 4.27Å; E150-Y195 WeakPolarHBondContact OE2-CD2 3.47Å; D184-Y195 PolarHBondContact O-N 3.28Å; Y186-Y195 WeakPolarHBondContact CA-O 3.43Å; Y195-F197 HydrophobicContact CD1-CB 4.05Å; Y195-F197 HydrophobicContact CD1-CD2 4.39Å; Y195-F197 HydrophobicContact CD2-CD2 4.43Å; Y195-F197 HydrophobicContact CE1-CB 3.7Å; Y195-F197 AromaticContact CE1-CD2 3.77Å; Y195-F197 HydrophobicContact CE1-CD2 3.77Å; Y195-F197 HydrophobicContact CE1-CG 4.23Å; Y195-F197 AromaticContact CE2-CD2 3.79Å; Y195-F197 HydrophobicContact CE2-CD2 3.79Å; Y195-F197 HydrophobicContact CE2-CE2 4.35Å; Y195-F197 AromaticContact CZ-CD2 3.43Å; Y195-F197 VanDerWaalsContact CZ-CD2 3.43Å; Y195-F197 WeakPolarHBondContact OH-CD2 3.34Å
196	E	90.7	Very high	79.8	Confident	82 Å²	82	54.2 Å²	54.2	38%	0.383	29%	0.294	S	S	.	.	S	Bend	trans	-83.3	-16.8	-175.4	-68.9	-169.8	-176.1	0	0	113.6	E150 Y186 P194 K221	E150-E196 HydrophobicContact CG-CG 4.27Å; E150-E196 PolarHBondContact OE2-N 3.14Å; Y186-E196 VanDerWaalsContact CD2-O 3.29Å; Y186-E196 WeakPolarHBondContact CD2-O 3.47Å; Y186-E196 WeakPolarHBondContact CE2-O 3.36Å; P194-E196 PolarHBondContact O-N 3.16Å; E196-K221 IonicContact OE1-NZ 2.6Å; E196-K221 PolarHBondContact OE1-NZ 2.97Å; E196-K221 IonicContact OE2-NZ 3.38Å; E196-K221 PolarHBondContact OE2-NZ 3.12Å
197	F	88.7	Confident	78.6	Confident	26 Å²	26	55.3 Å²	55.3	11%	0.114	32%	0.315	C	S	.	.	S	Bend	trans	-90.2	120.3	-177.9	-56.2	-69.2	0	0	0	111.6	C119 Y186 Y195 V215 E216 P218	C119-F197 HydrophobicContact CB-CD2 4.05Å; C119-F197 HydrophobicContact CB-CE2 3.97Å; Y186-F197 WeakPolarHBondContact CB-O 3.19Å; Y195-F197 HydrophobicContact CD1-CB 4.05Å; Y195-F197 HydrophobicContact CD1-CD2 4.39Å; Y195-F197 HydrophobicContact CD2-CD2 4.43Å; Y195-F197 HydrophobicContact CE1-CB 3.7Å; Y195-F197 AromaticContact CE1-CD2 3.77Å; Y195-F197 HydrophobicContact CE1-CD2 3.77Å; Y195-F197 HydrophobicContact CE1-CG 4.23Å; Y195-F197 AromaticContact CE2-CD2 3.79Å; Y195-F197 HydrophobicContact CE2-CD2 3.79Å; Y195-F197 HydrophobicContact CE2-CE2 4.35Å; Y195-F197 AromaticContact CZ-CD2 3.43Å; Y195-F197 VanDerWaalsContact CZ-CD2 3.43Å; Y195-F197 WeakPolarHBondContact OH-CD2 3.34Å; F197-V215 HydrophobicContact CD1-CB 3.97Å; F197-V215 HydrophobicContact CD1-CG1 3.92Å; F197-V215 HydrophobicContact CD1-CG2 4.04Å; F197-V215 HydrophobicContact CE1-CB 3.45Å; F197-V215 VanDerWaalsContact CE1-CB 3.45Å; F197-V215 HydrophobicContact CE1-CG1 3.89Å; F197-V215 HydrophobicContact CE1-CG2 3.66Å; F197-V215 HydrophobicContact CE2-CG2 4.47Å; F197-V215 HydrophobicContact CZ-CB 4.03Å; F197-V215 HydrophobicContact CZ-CG2 3.85Å; F197-E216 WeakPolarHBondContact CZ-O 3.19Å; F197-P218 HydrophobicContact CE1-CG 4.44Å; F197-P218 HydrophobicContact CE2-CG 3.75Å; F197-P218 HydrophobicContact CZ-CG 3.52Å
198	P	80.1	Confident	77.4	Confident	47 Å²	47	51.4 Å²	51.4	31%	0.305	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-63.3	146.8	178	26.4	-33.8	0	0	0	111.3	S117 Y186 C200	S117-P198 WeakPolarHBondContact CB-O 3.31Å; S117-P198 PolarHBondContact OG-O 3.43Å; Y186-P198 HydrophobicContact CD1-CB 3.77Å; Y186-P198 HydrophobicContact CD2-CB 4.25Å; Y186-P198 HydrophobicContact CE1-CB 3.7Å; Y186-P198 HydrophobicContact CE2-CB 4.18Å; Y186-P198 VanDerWaalsContact CG-CA 3.47Å; Y186-P198 HydrophobicContact CG-CB 4.05Å; P198-C200 PolarHBondContact O-N 2.83Å
199	P	72.3	Confident	75.6	Confident	43 Å²	43	53.5 Å²	53.5	28%	0.279	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-61.7	137	162.1	31	-34.7	0	0	0	107.3	L208	P199-L208 HydrophobicContact CB-CD1 3.84Å; P199-L208 HydrophobicContact CB-CD2 4.41Å; P199-L208 HydrophobicContact CG-CD1 4.27Å; P199-L208 HydrophobicContact CG-CD2 3.93Å
200	C	69.1	Low	74	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.034	30%	0.297	C	S	.	.			trans	-134	137.1	-175.2	55.5	0	0	0	0	109.9	P198 H202 P209 C211	P198-C200 PolarHBondContact O-N 2.83Å; C200-H202 PolarHBondContact O-N 2.94Å; C200-H202 PolarHBondContact O-ND1 2.96Å; C200-P209 CarbonylContact C-O 3.6Å; C200-P209 WeakPolarHBondContact CA-O 3.48Å; C200-P209 WeakPolarHBondContact CB-O 3.34Å; C200-C211 VanDerWaalsContact C-SG 3.6Å; C200-C211 HydrophobicContact CB-CB 3.96Å; C200-C211 WeakPolarHBondContact CB-SG 3.4Å; C200-C211 PolarHBondContact O-SG 3.45Å; C200-C211 WeakPolarHBondContact SG-CB 3.33Å; C200-C211 CovalentContact SG-SG 2.01Å; C200-C211 PolarHBondContact SG-SG 3.17Å
201	E	64.1	Low	72.6	Confident	11 Å²	11	49 Å²	49	5%	0.051	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-69.2	131.3	176.3	-72.8	-41.7	158.7	0	0	109.3	H203 V204 P207 L208 P209 S210	E201-H203 PolarHBondContact O-N 3.04Å; E201-V204 HydrophobicContact CB-CG2 4.17Å; E201-V204 HydrophobicContact CG-CG2 3.84Å; E201-V204 WeakPolarHBondContact OE2-CG2 3.36Å; E201-P207 WeakPolarHBondContact OE1-CD 3.49Å; E201-L208 HydrophobicContact CB-CB 4.32Å; E201-L208 HydrophobicContact CG-CB 3.64Å; E201-L208 HydrophobicContact CG-CG 4.43Å; E201-L208 WeakPolarHBondContact CG-O 3.47Å; E201-L208 WeakPolarHBondContact OE1-CG 2.92Å; E201-L208 PolarHBondContact OE1-N 3.36Å; E201-P209 PolarHBondContact N-O 3.29Å; E201-S210 WeakPolarHBondContact O-CA 3.31Å
202	H	55.1	Low	70.9	Confident	13 Å²	13	56 Å²	56	6%	0.06	32%	0.323	C	S	.	.	S	Bend	trans	-96.3	86.9	167.6	-62.1	73.1	0	0	0	107.1	T59 R60 C200 V204 C211	T59-H202 CarbonylContact C-O 3.51Å; T59-H202 CarbonylContact O-C 3.49Å; T59-H202 WeakPolarHBondContact O-CB 3.46Å; R60-H202 PolarHBondContact NH1-CE1 2.8Å; R60-H202 PolarHBondContact NH1-NE2 3.48Å; R60-H202 WeakPolarHBondContact O-CB 3.34Å; R60-H202 PolarHBondContact O-CD2 3.47Å; C200-H202 PolarHBondContact O-N 2.94Å; C200-H202 PolarHBondContact O-ND1 2.96Å; H202-V204 PolarHBondContact O-N 2.82Å; H202-V204 VanDerWaalsContact O-N 3.17Å; H202-C211 PolarHBondContact CE1-SG 3.05Å; H202-C211 PolarHBondContact ND1-SG 3.46Å; H202-C211 VanDerWaalsContact ND1-SG 3.43Å; H202-C211 PolarHBondContact NE2-SG 3.49Å
203	H	51.6	Low	69.3	Low	110 Å²	110	57.9 Å²	57.9	51%	0.509	34%	0.343	S	S	.	.	S	Bend	trans	56.5	29.8	171.6	-64.4	-76.8	0	0	0	119	R62 E201	R62-H203 WeakPolarHBondContact CD-CD2 3.1Å; R62-H203 WeakPolarHBondContact CD-NE2 3.39Å; R62-H203 VanDerWaalsContact CG-CD2 3.45Å; R62-H203 WeakPolarHBondContact CG-CD2 3.12Å; R62-H203 PolarHBondContact NE-NE2 2.89Å; R62-H203 VanDerWaalsContact NE-NE2 3.16Å; R62-H203 PolarHBondContact NH1-CE1 2.9Å; R62-H203 PolarHBondContact NH1-NE2 2.83Å; E201-H203 PolarHBondContact O-N 3.04Å
204	V	51.3	Low	67.9	Low	58 Å²	58	63.6 Å²	63.6	35%	0.352	37%	0.374	S	S	.	.	S	Bend	trans	-98.2	148.1	150.5	-66.1	0	0	0	0	109.3	T59 E201 H202 G206	T59-V204 HydrophobicContact CG2-CG1 3.54Å; E201-V204 HydrophobicContact CB-CG2 4.17Å; E201-V204 HydrophobicContact CG-CG2 3.84Å; E201-V204 WeakPolarHBondContact OE2-CG2 3.36Å; H202-V204 PolarHBondContact O-N 2.82Å; H202-V204 VanDerWaalsContact O-N 3.17Å; V204-G206 PolarHBondContact O-N 3.35Å
205	I	51.4	Low	67.2	Low	188 Å²	188	64.3 Å²	64.3	96%	0.964	38%	0.378	S	S	*	.	S	Bend	trans	-70.8	92.4	157.1	-60	175.7	0	0	0	104.8
206	G	58.7	Low	66.9	Low	33 Å²	33	72.5 Å²	72.5	34%	0.34	42%	0.416	S	S	.	.	S	Bend	trans	-122	-176.9	176.5	0	0	0	0	0	110.8	V204 L208	V204-G206 PolarHBondContact O-N 3.35Å; G206-L208 VanDerWaalsContact C-N 3.26Å; G206-L208 PolarHBondContact O-N 2.98Å
207	P	64.7	Low	67	Low	130 Å²	130	70.9 Å²	70.9	84%	0.844	41%	0.412	S	S	*	.	S	Bend	trans	-72.2	-12.5	178	29.2	-34.3	0	0	0	114.2	E201	E201-P207 WeakPolarHBondContact OE1-CD 3.49Å
208	L	63.5	Low	67.3	Low	61 Å²	61	70.4 Å²	70.4	32%	0.319	41%	0.412	S	S	.	.	S	Bend	trans	-97.6	153.4	-174.6	-52.4	171.4	0	0	0	113.8	P199 E201 G206	P199-L208 HydrophobicContact CB-CD1 3.84Å; P199-L208 HydrophobicContact CB-CD2 4.41Å; P199-L208 HydrophobicContact CG-CD1 4.27Å; P199-L208 HydrophobicContact CG-CD2 3.93Å; E201-L208 HydrophobicContact CB-CB 4.32Å; E201-L208 HydrophobicContact CG-CB 3.64Å; E201-L208 HydrophobicContact CG-CG 4.43Å; E201-L208 WeakPolarHBondContact CG-O 3.47Å; E201-L208 WeakPolarHBondContact OE1-CG 2.92Å; E201-L208 PolarHBondContact OE1-N 3.36Å; G206-L208 VanDerWaalsContact C-N 3.26Å; G206-L208 PolarHBondContact O-N 2.98Å
209	P	54.9	Low	68	Low	79 Å²	79	72.9 Å²	72.9	51%	0.513	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-67.7	157.7	174.2	28.1	-34.7	0	0	0	112.1	C200 E201	C200-P209 CarbonylContact C-O 3.6Å; C200-P209 WeakPolarHBondContact CA-O 3.48Å; C200-P209 WeakPolarHBondContact CB-O 3.34Å; E201-P209 PolarHBondContact N-O 3.29Å
210	S	59.3	Low	69.2	Low	77 Å²	77	73.9 Å²	73.9	54%	0.538	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-69.6	145.2	174.4	-60.1	0	0	0	0	112.2	E201	E201-S210 WeakPolarHBondContact O-CA 3.31Å
211	C	63.8	Low	70.5	Confident	25 Å²	25	77.6 Å²	77.6	17%	0.169	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-79	124.3	173.9	-45.7	0	0	0	0	111	C200 H202	C200-C211 VanDerWaalsContact C-SG 3.6Å; C200-C211 HydrophobicContact CB-CB 3.96Å; C200-C211 WeakPolarHBondContact CB-SG 3.4Å; C200-C211 PolarHBondContact O-SG 3.45Å; C200-C211 WeakPolarHBondContact SG-CB 3.33Å; C200-C211 CovalentContact SG-SG 2.01Å; C200-C211 PolarHBondContact SG-SG 3.17Å; H202-C211 PolarHBondContact CE1-SG 3.05Å; H202-C211 PolarHBondContact ND1-SG 3.46Å; H202-C211 VanDerWaalsContact ND1-SG 3.43Å; H202-C211 PolarHBondContact NE2-SG 3.49Å
212	D	61.5	Low	72.1	Confident	150 Å²	150	81.9 Å²	81.9	80%	0.802	48%	0.48	S	S	*	.			trans	-111.7	102.4	176.5	-77.8	-23.4	0	0	0	111
213	G	64.8	Low	74.1	Confident	40 Å²	40	85.9 Å²	85.9	41%	0.412	50%	0.502	S	S	.	.	S	Bend	trans	68.8	-164.5	160.8	0	0	0	0	0	117.4
214	D	67.8	Low	76.3	Confident	132 Å²	132	81.6 Å²	81.6	71%	0.706	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-74.4	137	-178.7	-60.7	-24.6	0	0	0	110.3	R69	R69-D214 VanDerWaalsContact CD-OD1 3.31Å; R69-D214 WeakPolarHBondContact CD-OD1 3.27Å; R69-D214 IonicContact NH1-OD1 3.23Å
215	V	82.2	Confident	78.5	Confident	37 Å²	37	80.9 Å²	80.9	22%	0.224	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-103.8	136.2	173	-64.4	0	0	0	0	110.2	C119 C163 F197	C119-V215 HydrophobicContact CB-CG2 3.74Å; C163-V215 HydrophobicContact CB-CG2 4.39Å; F197-V215 HydrophobicContact CD1-CB 3.97Å; F197-V215 HydrophobicContact CD1-CG1 3.92Å; F197-V215 HydrophobicContact CD1-CG2 4.04Å; F197-V215 HydrophobicContact CE1-CB 3.45Å; F197-V215 VanDerWaalsContact CE1-CB 3.45Å; F197-V215 HydrophobicContact CE1-CG1 3.89Å; F197-V215 HydrophobicContact CE1-CG2 3.66Å; F197-V215 HydrophobicContact CE2-CG2 4.47Å; F197-V215 HydrophobicContact CZ-CB 4.03Å; F197-V215 HydrophobicContact CZ-CG2 3.85Å
216	E	88.9	Confident	80.6	Confident	175 Å²	175	78.1 Å²	78.1	82%	0.818	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-73.8	144.5	173.2	-68	-174.1	174.7	0	0	110.5	F197 P218	F197-E216 WeakPolarHBondContact CZ-O 3.19Å; E216-P218 WeakPolarHBondContact O-CD 3.5Å
217	T	94.1	Very high	82.3	Confident	48 Å²	48	80 Å²	80	29%	0.294	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-57.8	124.5	170	-56.6	0	0	0	0	109.2	V153 M161 G162 C163	V153-T217 HydrophobicContact CG1-CG2 4.07Å; M161-T217 PolarHBondContact O-OG1 3.04Å; G162-T217 WeakPolarHBondContact CA-OG1 3.42Å; C163-T217 PolarHBondContact N-OG1 2.64Å
218	P	93.6	Very high	83.9	Confident	17 Å²	17	76.6 Å²	76.6	11%	0.11	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-63	151.8	178.7	-24	38	0	0	0	110.9	E150 S154 F197 E216	E150-P218 WeakPolarHBondContact OE1-CB 3.37Å; E150-P218 WeakPolarHBondContact OE1-CG 3.47Å; S154-P218 VanDerWaalsContact CB-O 3.23Å; S154-P218 WeakPolarHBondContact CB-O 3.36Å; F197-P218 HydrophobicContact CE1-CG 4.44Å; F197-P218 HydrophobicContact CE2-CG 3.75Å; F197-P218 HydrophobicContact CZ-CG 3.52Å; E216-P218 WeakPolarHBondContact O-CD 3.5Å
219	S	95.5	Very high	85.4	Confident	98 Å²	98	81 Å²	81	69%	0.685	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-67.6	137.3	174.9	-64.2	0	0	0	0	110.7	K221	S219-K221 PolarHBondContact O-N 3.22Å
220	C	97.7	Very high	87.5	Confident	65 Å²	65	80.9 Å²	80.9	44%	0.439	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-55.4	128.6	173.5	178.7	0	0	0	0	111.5	S154 C155	S154-C220 WeakPolarHBondContact O-CB 3.44Å; C155-C220 VanDerWaalsContact CA-SG 3.53Å; C155-C220 HydrophobicContact CB-CB 3.91Å; C155-C220 WeakPolarHBondContact CB-SG 3.43Å; C155-C220 WeakPolarHBondContact SG-CA 3.46Å; C155-C220 WeakPolarHBondContact SG-CB 3.38Å; C155-C220 CovalentContact SG-SG 2.04Å; C155-C220 PolarHBondContact SG-SG 3.39Å
221	K	97.1	Very high	89.3	Confident	83 Å²	83	80.7 Å²	80.7	36%	0.361	48%	0.477	S	S	.	.			trans	-115.1	137.3	174.7	-66.9	168.2	-170.7	167.6	0	109.6	Q193 E196 S219	Q193-K221 PolarHBondContact NE2-O 3.11Å; E196-K221 IonicContact OE1-NZ 2.6Å; E196-K221 PolarHBondContact OE1-NZ 2.97Å; E196-K221 IonicContact OE2-NZ 3.38Å; E196-K221 PolarHBondContact OE2-NZ 3.12Å; S219-K221 PolarHBondContact O-N 3.22Å
222	T	96.7	Very high	90.9	Very high	100 Å²	100	80.4 Å²	80.4	61%	0.613	47%	0.472	S	S	*	.	S	Bend	trans	-107.3	29	176.4	60.7	0	0	0	0	112.2	Y232	T222-Y232 HydrophobicContact CG2-CE1 4.42Å
223	N	97.4	Very high	92.7	Very high	97 Å²	97	78.5 Å²	78.5	52%	0.519	46%	0.458	S	S	.	.	S	Bend	trans	-136.7	151.4	176.4	63	-84	0	0	0	110	Q193	Q193-N223 PolarHBondContact NE2-O 2.91Å
224	C	98.2	Very high	94.2	Very high	20 Å²	20	84 Å²	84	14%	0.135	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-79.1	163.5	173.7	-56.1	0	0	0	0	111.4	C192 Y228 I230	C192-C224 HydrophobicContact CB-CB 3.83Å; C192-C224 WeakPolarHBondContact CB-SG 3.17Å; C192-C224 CarbonylContact O-C 3.53Å; C192-C224 VanDerWaalsContact O-CA 3.27Å; C192-C224 WeakPolarHBondContact O-CA 3.22Å; C192-C224 WeakPolarHBondContact O-CB 3.23Å; C192-C224 WeakPolarHBondContact SG-CA 3.24Å; C192-C224 WeakPolarHBondContact SG-CB 3.48Å; C192-C224 CovalentContact SG-SG 2.03Å; C192-C224 PolarHBondContact SG-SG 2.89Å; C224-Y228 HydrophobicContact CB-CD1 3.77Å; C224-Y228 HydrophobicContact CB-CG 4.28Å; C224-I230 PolarHBondContact SG-O 3.29Å; C224-I230 VanDerWaalsContact SG-O 3.37Å
225	Q	97	Very high	95.7	Very high	43 Å²	43	78 Å²	78	20%	0.201	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-57.3	148.6	171.9	65.4	174.4	-44.7	0	0	111.4	T188 G191 C192 G227 Y228	T188-Q225 PolarHBondContact O-NE2 3.49Å; T188-Q225 PolarHBondContact O-OE1 3.02Å; G191-Q225 PolarHBondContact O-NE2 3.3Å; C192-Q225 PolarHBondContact O-N 3.19Å; Q225-G227 PolarHBondContact O-N 3.49Å; Q225-Y228 WeakPolarHBondContact O-CB 3.4Å; Q225-Y228 PolarHBondContact O-N 3.48Å
226	P	95.8	Very high	96.4	Very high	130 Å²	130	77.1 Å²	77.1	84%	0.844	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	136.8	176.5	-26.1	35.1	0	0	0	112.2	Y228	P226-Y228 VanDerWaalsContact C-N 3.32Å; P226-Y228 PolarHBondContact O-N 2.92Å
227	G	94.9	Very high	96.9	Very high	73 Å²	73	69.7 Å²	69.7	75%	0.753	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-8.4	-179.3	0	0	0	0	0	115.2	Q225	Q225-G227 PolarHBondContact O-N 3.49Å
228	Y	97.3	Very high	97.1	Very high	58 Å²	58	70.9 Å²	70.9	23%	0.227	40%	0.396	C	S	.	.			trans	-80.8	123.4	172.1	-164.9	-105.5	0	0	0	111.4	T182 G191 C192 C224 Q225 P226 I230 D235	T182-Y228 PolarHBondContact OG1-OH 2.82Å; T182-Y228 VanDerWaalsContact OG1-OH 3.12Å; G191-Y228 VanDerWaalsContact CA-CE2 3.43Å; G191-Y228 VanDerWaalsContact O-CD2 3.28Å; G191-Y228 WeakPolarHBondContact O-CD2 3.33Å; C192-Y228 HydrophobicContact CB-CD1 3.92Å; C192-Y228 HydrophobicContact CB-CE1 3.74Å; C224-Y228 HydrophobicContact CB-CD1 3.77Å; C224-Y228 HydrophobicContact CB-CG 4.28Å; Q225-Y228 WeakPolarHBondContact O-CB 3.4Å; Q225-Y228 PolarHBondContact O-N 3.48Å; P226-Y228 VanDerWaalsContact C-N 3.32Å; P226-Y228 PolarHBondContact O-N 2.92Å; Y228-I230 HydrophobicContact CD1-CB 4.28Å; Y228-I230 WeakPolarHBondContact CD1-O 3.38Å; Y228-I230 HydrophobicContact CE1-CB 3.67Å; Y228-I230 HydrophobicContact CE1-CD1 4.49Å; Y228-I230 HydrophobicContact CE1-CG1 4.23Å; Y228-D235 HydrophobicContact CE1-CB 4.45Å; Y228-D235 PolarHBondContact OH-OD1 2.95Å; Y228-D235 VanDerWaalsContact OH-OD1 3.06Å
229	N	95.9	Very high	97.3	Very high	155 Å²	155	70.3 Å²	70.3	83%	0.829	39%	0.393	S	S	*	.			trans	-88.9	-12.1	-165.2	-66.1	-42.1	0	0	0	115
230	I	97.3	Very high	97.5	Very high	75 Å²	75	70.8 Å²	70.8	39%	0.385	39%	0.385	S	S	.	.	S	Bend	trans	-92.4	124.5	179.5	-54.5	178.8	0	0	0	108.4	C224 Y228 K234 D235	C224-I230 PolarHBondContact SG-O 3.29Å; C224-I230 VanDerWaalsContact SG-O 3.37Å; Y228-I230 HydrophobicContact CD1-CB 4.28Å; Y228-I230 WeakPolarHBondContact CD1-O 3.38Å; Y228-I230 HydrophobicContact CE1-CB 3.67Å; Y228-I230 HydrophobicContact CE1-CD1 4.49Å; Y228-I230 HydrophobicContact CE1-CG1 4.23Å; I230-K234 HydrophobicContact CG2-CB 3.97Å; I230-D235 HydrophobicContact CB-CB 4.45Å; I230-D235 HydrophobicContact CG2-CB 3.87Å
231	P	97.6	Very high	97.5	Very high	74 Å²	74	73.6 Å²	73.6	48%	0.481	39%	0.389	S	S	.	.			trans	-58.8	141.5	175.6	-25.3	34.5	0	0	0	112.2	E233 K234 D235	P231-E233 VanDerWaalsContact C-N 3.35Å; P231-E233 PolarHBondContact O-N 3.41Å; P231-E233 VanDerWaalsContact O-N 3.16Å; P231-K234 HydrophobicContact CB-CG 4.48Å; P231-K234 HydrophobicContact CG-CD 4.2Å; P231-K234 WeakPolarHBondContact O-CA 3.5Å; P231-K234 WeakPolarHBondContact O-CB 3.29Å; P231-K234 PolarHBondContact O-N 2.89Å; P231-D235 PolarHBondContact O-N 2.93Å
232	Y	98.4	Very high	97.6	Very high	18 Å²	18	70.6 Å²	70.6	7%	0.071	38%	0.378	C	S	.	.	H	α-helix	trans	-42.2	-54	-177	178.2	-94.7	0	0	0	113.7	N151 V181 T222 K234 D235 K236	N151-Y232 PolarHBondContact ND2-OH 2.92Å; V181-Y232 HydrophobicContact CB-CE2 4.46Å; V181-Y232 HydrophobicContact CG1-CD2 3.67Å; V181-Y232 HydrophobicContact CG1-CE2 3.58Å; V181-Y232 HydrophobicContact CG1-CG 4.2Å; V181-Y232 WeakPolarHBondContact CG1-O 3.36Å; V181-Y232 HydrophobicContact CG2-CD2 4.48Å; V181-Y232 HydrophobicContact CG2-CE2 4.07Å; T222-Y232 HydrophobicContact CG2-CE1 4.42Å; Y232-K234 VanDerWaalsContact C-N 3.31Å; Y232-K234 PolarHBondContact O-N 2.96Å; Y232-D235 PolarHBondContact O-N 3.14Å; Y232-D235 VanDerWaalsContact O-N 3.12Å; Y232-K236 VanDerWaalsContact CE1-CE 3.47Å; Y232-K236 PolarHBondContact O-N 3.2Å
233	E	97.8	Very high	97.6	Very high	110 Å²	110	66.6 Å²	66.6	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-29.3	-179.1	-67	-57.2	144.3	0	0	114.1	P231 K236	P231-E233 VanDerWaalsContact C-N 3.35Å; P231-E233 PolarHBondContact O-N 3.41Å; P231-E233 VanDerWaalsContact O-N 3.16Å; E233-K236 VanDerWaalsContact CD-NZ 3.33Å; E233-K236 IonicContact OE1-NZ 3.08Å; E233-K236 PolarHBondContact OE1-NZ 3.39Å; E233-K236 VanDerWaalsContact OE1-NZ 3.08Å; E233-K236 WeakPolarHBondContact OE2-CD 3.03Å; E233-K236 WeakPolarHBondContact OE2-CE 3.23Å; E233-K236 IonicContact OE2-NZ 2.8Å; E233-K236 PolarHBondContact OE2-NZ 2.86Å
234	K	97.5	Very high	97.7	Very high	157 Å²	157	64.1 Å²	64.1	68%	0.683	34%	0.335	S	S	*	.	H	α-helix	trans	-79.4	-23	176.6	-67.4	-174	178.1	178.8	0	112.2	I230 P231 Y232 K346	I230-K234 HydrophobicContact CG2-CB 3.97Å; P231-K234 HydrophobicContact CB-CG 4.48Å; P231-K234 HydrophobicContact CG-CD 4.2Å; P231-K234 WeakPolarHBondContact O-CA 3.5Å; P231-K234 WeakPolarHBondContact O-CB 3.29Å; P231-K234 PolarHBondContact O-N 2.89Å; Y232-K234 VanDerWaalsContact C-N 3.31Å; Y232-K234 PolarHBondContact O-N 2.96Å; K234-K346 PolarHBondContact O-NZ 3.38Å
235	D	98.1	Very high	97.6	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-78.6	-27.7	-179.2	-165.4	53.5	0	0	0	112.8	V181 T182 C192 Y228 I230 P231 Y232 W237 K346	V181-D235 HydrophobicContact CB-CB 4.44Å; V181-D235 WeakPolarHBondContact CB-OD2 3.26Å; V181-D235 HydrophobicContact CG1-CB 4.29Å; T182-D235 WeakPolarHBondContact CB-OD2 3.39Å; T182-D235 PolarHBondContact N-OD2 3.17Å; T182-D235 PolarHBondContact OG1-OD1 2.82Å; T182-D235 PolarHBondContact OG1-OD2 3.27Å; C192-D235 HydrophobicContact CB-CB 4.33Å; C192-D235 WeakPolarHBondContact CB-OD2 3.43Å; Y228-D235 HydrophobicContact CE1-CB 4.45Å; Y228-D235 PolarHBondContact OH-OD1 2.95Å; Y228-D235 VanDerWaalsContact OH-OD1 3.06Å; I230-D235 HydrophobicContact CB-CB 4.45Å; I230-D235 HydrophobicContact CG2-CB 3.87Å; P231-D235 PolarHBondContact O-N 2.93Å; Y232-D235 PolarHBondContact O-N 3.14Å; Y232-D235 VanDerWaalsContact O-N 3.12Å; D235-W237 PolarHBondContact O-N 2.75Å; D235-W237 PolarHBondContact O-NE1 3.39Å; D235-K346 PolarHBondContact O-NZ 3.29Å; D235-K346 VanDerWaalsContact O-NZ 3.13Å
236	K	98.4	Very high	97.5	Very high	20 Å²	20	65.5 Å²	65.5	9%	0.087	34%	0.339	C	S	.	.			trans	-48.9	136.1	178.9	-73.3	177.5	171.2	172.4	0	114	Q178 I180 V181 Y232 E233 Y238 K346	Q178-K236 WeakPolarHBondContact O-CD 3.18Å; I180-K236 WeakPolarHBondContact O-CA 3.43Å; V181-K236 HydrophobicContact CG1-CG 3.65Å; Y232-K236 VanDerWaalsContact CE1-CE 3.47Å; Y232-K236 PolarHBondContact O-N 3.2Å; E233-K236 VanDerWaalsContact CD-NZ 3.33Å; E233-K236 IonicContact OE1-NZ 3.08Å; E233-K236 PolarHBondContact OE1-NZ 3.39Å; E233-K236 VanDerWaalsContact OE1-NZ 3.08Å; E233-K236 WeakPolarHBondContact OE2-CD 3.03Å; E233-K236 WeakPolarHBondContact OE2-CE 3.23Å; E233-K236 IonicContact OE2-NZ 2.8Å; E233-K236 PolarHBondContact OE2-NZ 2.86Å; K236-Y238 HydrophobicContact CB-CD2 4.5Å; K236-Y238 HydrophobicContact CB-CE2 3.66Å; K236-Y238 WeakPolarHBondContact CD-OH 3.4Å; K236-K346 WeakPolarHBondContact O-CE 3.45Å; K236-K346 PolarHBondContact O-NZ 3.01Å
237	W	98.7	Very high	97.5	Very high	18 Å²	18	61.9 Å²	61.9	7%	0.068	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-113.7	145	171.6	-68.7	84.3	0	0	0	109.7	I135 H143 P145 L147 W175 G179 I180 D235 K346	I135-W237 HydrophobicContact CD1-CB 3.99Å; I135-W237 HydrophobicContact CD1-CD2 4.19Å; I135-W237 HydrophobicContact CD1-CE3 4Å; I135-W237 HydrophobicContact CD1-CG 4.2Å; I135-W237 HydrophobicContact CG1-CE3 4.37Å; I135-W237 HydrophobicContact CG2-CE3 3.82Å; I135-W237 HydrophobicContact CG2-CH2 4.28Å; I135-W237 HydrophobicContact CG2-CZ3 3.63Å; H143-W237 HydrophobicContact CB-CH2 3.66Å; H143-W237 HydrophobicContact CB-CZ3 4.19Å; H143-W237 AromaticContact CG-CH2 3.58Å; H143-W237 AromaticContact ND1-CH2 3.72Å; P145-W237 HydrophobicContact CB-CD2 4.45Å; P145-W237 HydrophobicContact CB-CZ2 4.19Å; P145-W237 HydrophobicContact CG-CD2 4Å; P145-W237 HydrophobicContact CG-CE3 4.38Å; P145-W237 HydrophobicContact CG-CG 4.49Å; P145-W237 HydrophobicContact CG-CH2 4.37Å; P145-W237 HydrophobicContact CG-CZ2 3.98Å; L147-W237 HydrophobicContact CD1-CB 4.46Å; L147-W237 HydrophobicContact CD2-CB 3.75Å; L147-W237 HydrophobicContact CD2-CG 3.81Å; W175-W237 PolarHBondContact NE1-O 3.48Å; G179-W237 CarbonylContact C-O 3.5Å; G179-W237 WeakPolarHBondContact CA-O 3.47Å; I180-W237 PolarHBondContact N-O 3.41Å; I180-W237 PolarHBondContact O-N 2.9Å; D235-W237 PolarHBondContact O-N 2.75Å; D235-W237 PolarHBondContact O-NE1 3.39Å; W237-K346 HydrophobicContact CD2-CD 4.45Å; W237-K346 HydrophobicContact CE3-CD 4.36Å; W237-K346 HydrophobicContact CE3-CG 4.37Å; W237-K346 HydrophobicContact CH2-CB 4.44Å; W237-K346 HydrophobicContact CH2-CD 3.9Å; W237-K346 HydrophobicContact CH2-CG 4.17Å; W237-K346 HydrophobicContact CZ2-CD 4Å; W237-K346 HydrophobicContact CZ3-CB 4.44Å; W237-K346 HydrophobicContact CZ3-CD 4.1Å; W237-K346 HydrophobicContact CZ3-CG 3.98Å
238	Y	98.8	Very high	97.5	Very high	74 Å²	74	61 Å²	61	29%	0.29	30%	0.295	S	S	.	.			trans	-126.8	147.2	-170.6	-65.3	-98.8	0	0	0	111.8	W175 Q178 K236 K344	W175-Y238 WeakPolarHBondContact O-CA 3.24Å; Q178-Y238 VanDerWaalsContact C-CE1 3.46Å; Q178-Y238 WeakPolarHBondContact O-CE1 3.23Å; K236-Y238 HydrophobicContact CB-CD2 4.5Å; K236-Y238 HydrophobicContact CB-CE2 3.66Å; K236-Y238 WeakPolarHBondContact CD-OH 3.4Å; Y238-K344 WeakPolarHBondContact O-CB 3.3Å; Y238-K344 PolarHBondContact O-N 3.41Å
239	G	98.6	Very high	97.4	Very high	5 Å²	5	59.6 Å²	59.6	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.1	161.4	0	0	0	0	0	110.3	W175	W175-G239 VanDerWaalsContact CD2-N 3.27Å; W175-G239 VanDerWaalsContact CE3-CA 3.46Å; W175-G239 PolarHBondContact O-N 2.98Å; W175-G239 VanDerWaalsContact O-N 3.15Å
240	E	98.2	Very high	97.3	Very high	108 Å²	108	56.9 Å²	56.9	51%	0.505	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-43.2	166.1	-172.2	-172.9	156.3	0	0	110.1	I342 K344	E240-I342 WeakPolarHBondContact CB-O 3.32Å; E240-I342 PolarHBondContact N-O 3.02Å; E240-K344 HydrophobicContact CB-CB 4.29Å
241	K	97.9	Very high	97.2	Very high	123 Å²	123	53.4 Å²	53.4	54%	0.535	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.6	178.2	-62.9	-176.4	-177.4	-179.5	0	109.7	G341 I342	K241-G341 CarbonylContact O-C 3.59Å; K241-G341 WeakPolarHBondContact O-CA 3.47Å; K241-I342 PolarHBondContact N-O 3.08Å; K241-I342 PolarHBondContact O-N 3.35Å
242	V	98.6	Very high	97.1	Very high	20 Å²	20	50 Å²	50	12%	0.121	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145	171.9	-61.5	0	0	0	0	109	L82 W172 L173 W175 K176 A340	L82-V242 HydrophobicContact CD1-CB 4.2Å; L82-V242 HydrophobicContact CD2-CB 4.45Å; L82-V242 HydrophobicContact CD2-CG2 3.88Å; W172-V242 HydrophobicContact CB-CB 3.98Å; W172-V242 HydrophobicContact CB-CG1 3.95Å; W172-V242 HydrophobicContact CB-CG2 4.45Å; W172-V242 HydrophobicContact CE3-CG1 4.08Å; W172-V242 WeakPolarHBondContact O-CG1 3.34Å; L173-V242 HydrophobicContact CD2-CG2 4Å; W175-V242 HydrophobicContact CE3-CG1 4.03Å; W175-V242 HydrophobicContact CZ3-CG1 4.38Å; K176-V242 HydrophobicContact CB-CG1 4.1Å; K176-V242 HydrophobicContact CB-CG2 4.3Å; K176-V242 HydrophobicContact CD-CG2 3.88Å; V242-A340 VanDerWaalsContact CA-O 3.31Å; V242-A340 WeakPolarHBondContact CA-O 3.28Å
243	Y	98.5	Very high	97	Very high	17 Å²	17	49.6 Å²	49.6	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	162	-171.7	48.5	-92.6	0	0	0	110.8	L82 E83 L85 R134 I245 E255 A340 I342	L82-Y243 WeakPolarHBondContact CD1-O 3.19Å; E83-Y243 CarbonylContact O-C 3.43Å; E83-Y243 WeakPolarHBondContact O-CA 3.49Å; E83-Y243 WeakPolarHBondContact O-CB 3.18Å; L85-Y243 HydrophobicContact CB-CD2 3.71Å; L85-Y243 HydrophobicContact CB-CE2 4.39Å; L85-Y243 HydrophobicContact CB-CG 4.03Å; L85-Y243 HydrophobicContact CD2-CD2 3.86Å; L85-Y243 HydrophobicContact CD2-CE2 3.66Å; L85-Y243 HydrophobicContact CD2-CG 4.47Å; L85-Y243 HydrophobicContact CG-CD2 4.29Å; R134-Y243 PolarHBondContact NH1-OH 2.81Å; Y243-I245 HydrophobicContact CD2-CD1 3.96Å; Y243-I245 HydrophobicContact CD2-CG1 4.45Å; Y243-I245 HydrophobicContact CE2-CD1 3.83Å; Y243-I245 HydrophobicContact CE2-CG1 4.29Å; Y243-E255 PolarHBondContact OH-OE1 3.33Å; Y243-A340 HydrophobicContact CD2-CB 4.2Å; Y243-A340 HydrophobicContact CE2-CB 3.66Å; Y243-A340 PolarHBondContact N-O 3.5Å; Y243-A340 PolarHBondContact O-N 3.34Å; Y243-A340 VanDerWaalsContact O-O 3.08Å; Y243-I342 HydrophobicContact CE1-CG1 4.13Å; Y243-I342 WeakPolarHBondContact OH-CD1 3.42Å
244	R	97.9	Very high	96.9	Very high	44 Å²	44	44.8 Å²	44.8	17%	0.166	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.6	166.9	-169.1	170.2	59.5	99.7	-4.3	109.9	L82 E83 T84 L85 S336 D337 V338	L82-R244 HydrophobicContact CB-CB 4.05Å; E83-R244 PolarHBondContact O-N 2.89Å; T84-R244 CarbonylContact C-O 3.4Å; T84-R244 VanDerWaalsContact CA-O 3.3Å; T84-R244 WeakPolarHBondContact CA-O 3.45Å; T84-R244 PolarHBondContact OG1-NH2 3.11Å; L85-R244 PolarHBondContact N-O 3.16Å; R244-S336 PolarHBondContact NH1-O 3.48Å; R244-D337 VanDerWaalsContact CD-OD1 3.26Å; R244-D337 WeakPolarHBondContact CD-OD1 3.44Å; R244-V338 CarbonylContact C-O 3.48Å; R244-V338 VanDerWaalsContact CA-O 3.27Å; R244-V338 WeakPolarHBondContact CA-O 3.29Å; R244-V338 WeakPolarHBondContact CG-O 3.06Å
245	I	97.2	Very high	96.8	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-82.7	142	172.6	-64.9	75.4	0	0	0	108.5	Y243 A251 I252 E255 V262 V338 A340	Y243-I245 HydrophobicContact CD2-CD1 3.96Å; Y243-I245 HydrophobicContact CD2-CG1 4.45Å; Y243-I245 HydrophobicContact CE2-CD1 3.83Å; Y243-I245 HydrophobicContact CE2-CG1 4.29Å; I245-A251 HydrophobicContact CG2-CB 3.88Å; I245-I252 HydrophobicContact CG2-CG1 3.88Å; I245-E255 HydrophobicContact CD1-CG 4.01Å; I245-E255 HydrophobicContact CG1-CB 3.99Å; I245-E255 HydrophobicContact CG1-CG 3.78Å; I245-V262 HydrophobicContact CD1-CG1 4.24Å; I245-V338 HydrophobicContact CB-CB 4.08Å; I245-V338 HydrophobicContact CB-CG1 3.98Å; I245-V338 HydrophobicContact CD1-CG1 4.01Å; I245-V338 WeakPolarHBondContact CD1-O 3.43Å; I245-V338 HydrophobicContact CG1-CG1 4.31Å; I245-V338 PolarHBondContact N-O 3.09Å; I245-A340 HydrophobicContact CD1-CB 3.32Å
246	H	95.1	Very high	96.8	Very high	90 Å²	90	37.7 Å²	37.7	42%	0.417	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-58.5	142	172.4	-171.6	-75.7	0	0	0	110.4	T84 Y89 N248 A251	T84-H246 HydrophobicContact CG2-CB 4.06Å; Y89-H246 WeakPolarHBondContact OH-CB 3.39Å; H246-N248 PolarHBondContact ND1-N 2.86Å; H246-N248 VanDerWaalsContact ND1-N 3.11Å; H246-N248 PolarHBondContact O-N 3.06Å; H246-A251 HydrophobicContact CB-CB 4.31Å
247	S	95	Very high	96.7	Very high	53 Å²	53	39.9 Å²	39.9	37%	0.371	19%	0.193	S	C	.	.	S	Bend	trans	-66.7	10.9	-177.6	64.6	0	0	0	0	115.6	P249 E335	S247-P249 WeakPolarHBondContact O-CD 3.14Å; S247-E335 WeakPolarHBondContact CA-O 3.45Å; S247-E335 WeakPolarHBondContact CB-O 3.5Å
248	N	94.1	Very high	96.5	Very high	56 Å²	56	44.9 Å²	44.9	30%	0.299	21%	0.212	S	C	.	.			trans	-77.1	124.6	173.8	176.8	-12.5	0	0	0	107.5	H246 E250 A251 I252	H246-N248 PolarHBondContact ND1-N 2.86Å; H246-N248 VanDerWaalsContact ND1-N 3.11Å; H246-N248 PolarHBondContact O-N 3.06Å; N248-E250 PolarHBondContact O-N 2.98Å; N248-E250 VanDerWaalsContact O-N 3.14Å; N248-E250 PolarHBondContact OD1-N 2.86Å; N248-A251 HydrophobicContact CB-CB 4.09Å; N248-A251 WeakPolarHBondContact O-CA 3.32Å; N248-A251 VanDerWaalsContact O-CB 3.24Å; N248-A251 WeakPolarHBondContact O-CB 3.31Å; N248-A251 PolarHBondContact O-N 3Å; N248-I252 PolarHBondContact O-N 2.94Å
249	P	95.5	Very high	96.4	Very high	27 Å²	27	43.4 Å²	43.4	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-51.7	-37.7	177.4	-27.5	34.1	0	0	0	114	S247 A251 I252 M253 W307 R327	S247-P249 WeakPolarHBondContact O-CD 3.14Å; P249-A251 VanDerWaalsContact C-N 3.31Å; P249-A251 PolarHBondContact O-N 3.25Å; P249-I252 PolarHBondContact O-N 2.94Å; P249-M253 WeakPolarHBondContact O-CB 3.28Å; P249-M253 WeakPolarHBondContact O-CG 3.33Å; P249-M253 PolarHBondContact O-N 3.07Å; P249-W307 HydrophobicContact CB-CH2 4.36Å; P249-W307 HydrophobicContact CB-CZ2 3.98Å; P249-R327 HydrophobicContact CB-CG 4.43Å
250	E	94.4	Very high	96.4	Very high	99 Å²	99	43.2 Å²	43.2	46%	0.463	21%	0.206	S	C	.	.	H	α-helix	trans	-66	-34.8	177.8	-64.6	-179	174.2	0	0	112.1	L94 N248 M253 L254	L94-E250 HydrophobicContact CD1-CB 4.02Å; L94-E250 HydrophobicContact CD1-CG 3.99Å; N248-E250 PolarHBondContact O-N 2.98Å; N248-E250 VanDerWaalsContact O-N 3.14Å; N248-E250 PolarHBondContact OD1-N 2.86Å; E250-M253 PolarHBondContact O-N 2.95Å; E250-L254 WeakPolarHBondContact O-CB 3.28Å; E250-L254 VanDerWaalsContact O-CG 3.28Å; E250-L254 WeakPolarHBondContact O-CG 3.31Å; E250-L254 PolarHBondContact O-N 3.04Å
251	A	94.6	Very high	96.5	Very high	2 Å²	2	38 Å²	38	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-44	174.9	0	0	0	0	0	111.4	Y89 I245 H246 N248 P249 L254 E255	Y89-A251 HydrophobicContact CD1-CB 3.92Å; Y89-A251 HydrophobicContact CD2-CB 4.44Å; Y89-A251 HydrophobicContact CE1-CB 3.25Å; Y89-A251 HydrophobicContact CE2-CB 3.86Å; Y89-A251 HydrophobicContact CG-CB 4.48Å; Y89-A251 WeakPolarHBondContact OH-CB 3.15Å; I245-A251 HydrophobicContact CG2-CB 3.88Å; H246-A251 HydrophobicContact CB-CB 4.31Å; N248-A251 HydrophobicContact CB-CB 4.09Å; N248-A251 WeakPolarHBondContact O-CA 3.32Å; N248-A251 VanDerWaalsContact O-CB 3.24Å; N248-A251 WeakPolarHBondContact O-CB 3.31Å; N248-A251 PolarHBondContact O-N 3Å; P249-A251 VanDerWaalsContact C-N 3.31Å; P249-A251 PolarHBondContact O-N 3.25Å; A251-L254 PolarHBondContact O-N 3.05Å; A251-E255 PolarHBondContact O-N 3.08Å
252	I	96.7	Very high	96.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-44.5	176.9	-58.1	167	0	0	0	110	I245 N248 P249 L254 E255 L256 L295 W307 E335 V338	I245-I252 HydrophobicContact CG2-CG1 3.88Å; N248-I252 PolarHBondContact O-N 2.94Å; P249-I252 PolarHBondContact O-N 2.94Å; I252-L254 PolarHBondContact O-N 3.1Å; I252-E255 PolarHBondContact O-N 2.96Å; I252-L256 HydrophobicContact CG2-CD1 4.17Å; I252-L256 VanDerWaalsContact O-CG 3.29Å; I252-L256 WeakPolarHBondContact O-CG 3.27Å; I252-L256 PolarHBondContact O-N 3.22Å; I252-L295 HydrophobicContact CG2-CD1 4.27Å; I252-L295 HydrophobicContact CG2-CD2 4.49Å; I252-W307 HydrophobicContact CB-CH2 3.7Å; I252-W307 HydrophobicContact CB-CZ2 4.13Å; I252-W307 HydrophobicContact CB-CZ3 4.45Å; I252-W307 HydrophobicContact CD1-CH2 4.5Å; I252-W307 HydrophobicContact CD1-CZ2 4.06Å; I252-W307 HydrophobicContact CG2-CH2 3.58Å; I252-W307 HydrophobicContact CG2-CZ2 4.07Å; I252-W307 HydrophobicContact CG2-CZ3 3.9Å; I252-E335 HydrophobicContact CD1-CB 4.02Å; I252-E335 HydrophobicContact CD1-CG 4.16Å; I252-V338 HydrophobicContact CD1-CG2 3.85Å; I252-V338 HydrophobicContact CG1-CG1 4.36Å; I252-V338 HydrophobicContact CG1-CG2 4.2Å; I252-V338 HydrophobicContact CG2-CG1 4.41Å
253	M	96.4	Very high	96.5	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-46.2	176.9	-71.3	163.8	77.8	0	0	112.4	L94 P249 E250 E255 L256 M257 W298 W307 R327	L94-M253 HydrophobicContact CB-CE 3.72Å; L94-M253 HydrophobicContact CD1-CB 3.91Å; L94-M253 HydrophobicContact CD1-CE 3.68Å; L94-M253 HydrophobicContact CD1-SD 3.88Å; L94-M253 HydrophobicContact CD2-CB 4.28Å; L94-M253 HydrophobicContact CG-CE 4.24Å; P249-M253 WeakPolarHBondContact O-CB 3.28Å; P249-M253 WeakPolarHBondContact O-CG 3.33Å; P249-M253 PolarHBondContact O-N 3.07Å; E250-M253 PolarHBondContact O-N 2.95Å; M253-E255 VanDerWaalsContact C-N 3.34Å; M253-E255 PolarHBondContact O-N 2.83Å; M253-L256 PolarHBondContact O-N 2.83Å; M253-M257 PolarHBondContact O-N 2.94Å; M253-W298 HydrophobicContact CB-CE3 4.18Å; M253-W298 HydrophobicContact CB-CH2 3.66Å; M253-W298 HydrophobicContact CB-CZ2 4.12Å; M253-W298 HydrophobicContact CB-CZ3 3.74Å; M253-W298 HydrophobicContact CE-CD2 3.99Å; M253-W298 HydrophobicContact CE-CG 4.32Å; M253-W298 HydrophobicContact CE-CH2 4.25Å; M253-W298 HydrophobicContact CE-CZ2 3.49Å; M253-W298 VanDerWaalsContact CE-CZ2 3.49Å; M253-W298 HydrophobicContact CG-CD2 3.87Å; M253-W298 HydrophobicContact CG-CE3 3.79Å; M253-W298 HydrophobicContact CG-CG 4.48Å; M253-W298 HydrophobicContact CG-CH2 4.01Å; M253-W298 HydrophobicContact CG-CZ2 4.14Å; M253-W298 HydrophobicContact CG-CZ3 3.89Å; M253-W298 WeakPolarHBondContact O-CZ3 3.35Å; M253-W307 HydrophobicContact CG-CH2 3.74Å; M253-W307 HydrophobicContact CG-CZ3 3.85Å; M253-R327 PolarHBondContact SD-NH1 2.97Å
254	L	95.1	Very high	96.6	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-40.3	177.7	-75.7	169.3	0	0	0	111.9	Y89 D92 L94 E250 A251 I252 M257 R258	Y89-L254 HydrophobicContact CD1-CD1 3.77Å; Y89-L254 HydrophobicContact CG-CD1 4.32Å; D92-L254 HydrophobicContact CB-CD2 4.48Å; L94-L254 HydrophobicContact CD2-CD2 3.74Å; L94-L254 HydrophobicContact CD2-CG 4.05Å; E250-L254 WeakPolarHBondContact O-CB 3.28Å; E250-L254 VanDerWaalsContact O-CG 3.28Å; E250-L254 WeakPolarHBondContact O-CG 3.31Å; E250-L254 PolarHBondContact O-N 3.04Å; A251-L254 PolarHBondContact O-N 3.05Å; I252-L254 PolarHBondContact O-N 3.1Å; L254-M257 PolarHBondContact O-N 3.24Å; L254-R258 VanDerWaalsContact O-CB 3.31Å; L254-R258 WeakPolarHBondContact O-CB 3.43Å; L254-R258 VanDerWaalsContact O-CG 3.23Å; L254-R258 WeakPolarHBondContact O-CG 3.27Å; L254-R258 PolarHBondContact O-N 3.26Å
255	E	96.3	Very high	96.6	Very high	12 Å²	12	30 Å²	30	6%	0.056	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-46.2	176.6	176.8	63.3	-171.8	0	0	111.5	R134 Y243 I245 A251 I252 M253 M257 R258 N259 G260 V262	R134-E255 IonicContact CZ-OE1 2.94Å; R134-E255 VanDerWaalsContact CZ-OE1 3.23Å; R134-E255 IonicContact NH1-OE1 3.04Å; R134-E255 PolarHBondContact NH1-OE1 3.28Å; R134-E255 IonicContact NH2-OE1 3.93Å; R134-E255 PolarHBondContact NH2-OE1 3.17Å; Y243-E255 PolarHBondContact OH-OE1 3.33Å; I245-E255 HydrophobicContact CD1-CG 4.01Å; I245-E255 HydrophobicContact CG1-CB 3.99Å; I245-E255 HydrophobicContact CG1-CG 3.78Å; A251-E255 PolarHBondContact O-N 3.08Å; I252-E255 PolarHBondContact O-N 2.96Å; M253-E255 VanDerWaalsContact C-N 3.34Å; M253-E255 PolarHBondContact O-N 2.83Å; E255-M257 PolarHBondContact O-N 3.16Å; E255-R258 PolarHBondContact O-N 3.1Å; E255-N259 PolarHBondContact O-N 2.78Å; E255-N259 WeakPolarHBondContact OE1-CB 3.21Å; E255-N259 PolarHBondContact OE1-ND2 3.14Å; E255-N259 PolarHBondContact OE2-ND2 2.78Å; E255-G260 PolarHBondContact O-N 3.44Å; E255-V262 HydrophobicContact CG-CG1 3.91Å
256	L	97.8	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-48.1	177.3	-72	164.2	0	0	0	111.4	F98 W104 I252 M253 R258 G260 V262 L295 W298 W307	F98-L256 HydrophobicContact CD1-CB 4.34Å; F98-L256 HydrophobicContact CE1-CB 4.13Å; W104-L256 WeakPolarHBondContact CH2-O 3.31Å; I252-L256 HydrophobicContact CG2-CD1 4.17Å; I252-L256 VanDerWaalsContact O-CG 3.29Å; I252-L256 WeakPolarHBondContact O-CG 3.27Å; I252-L256 PolarHBondContact O-N 3.22Å; M253-L256 PolarHBondContact O-N 2.83Å; L256-R258 VanDerWaalsContact C-N 3.35Å; L256-R258 PolarHBondContact O-N 2.83Å; L256-G260 VanDerWaalsContact O-CA 3.24Å; L256-G260 WeakPolarHBondContact O-CA 3.44Å; L256-G260 PolarHBondContact O-N 3.32Å; L256-V262 HydrophobicContact CD2-CG2 4.24Å; L256-L295 HydrophobicContact CD1-CD2 3.14Å; L256-L295 HydrophobicContact CD2-CD2 3.52Å; L256-L295 WeakPolarHBondContact CD2-O 3.19Å; L256-L295 HydrophobicContact CG-CD2 3.83Å; L256-W298 HydrophobicContact CB-CZ3 4.05Å; L256-W298 HydrophobicContact CD1-CE3 3.86Å; L256-W298 HydrophobicContact CD1-CZ3 3.98Å; L256-W307 HydrophobicContact CD1-CE3 4.44Å; L256-W307 HydrophobicContact CD1-CZ3 3.96Å
257	M	96	Very high	96.8	Very high	66 Å²	66	29.6 Å²	29.6	33%	0.325	15%	0.147	S	C	.	.	H	α-helix	trans	-63.9	-38.4	179.6	-75.5	174.9	73.1	0	0	113.1	L94 P95 F98 W104 M253 L254 E255 W298	L94-M257 HydrophobicContact CD2-SD 3.68Å; P95-M257 HydrophobicContact CG-CE 4.18Å; P95-M257 HydrophobicContact CG-SD 4.16Å; F98-M257 HydrophobicContact CD2-CG 3.82Å; F98-M257 HydrophobicContact CE2-CB 4.48Å; F98-M257 HydrophobicContact CE2-CG 3.93Å; F98-M257 HydrophobicContact CG-CG 4.2Å; F98-M257 HydrophobicContact CZ-CG 4.4Å; W104-M257 WeakPolarHBondContact CZ2-O 3.42Å; M253-M257 PolarHBondContact O-N 2.94Å; L254-M257 PolarHBondContact O-N 3.24Å; E255-M257 PolarHBondContact O-N 3.16Å; M257-W298 HydrophobicContact CG-CH2 3.53Å; M257-W298 HydrophobicContact CG-CZ3 4.17Å; M257-W298 HydrophobicContact SD-CH2 3.61Å; M257-W298 HydrophobicContact SD-CZ2 4.16Å
258	R	94.9	Very high	97	Very high	123 Å²	123	27 Å²	27	46%	0.464	13%	0.129	S	C	.	.	H	α-helix	trans	-85.3	-39.1	-171.5	-71.2	173.6	176.6	176.2	1.2	112.5	D92 L254 E255 L256	D92-R258 IonicContact OD2-NH2 3.53Å; D92-R258 PolarHBondContact OD2-NH2 2.74Å; L254-R258 VanDerWaalsContact O-CB 3.31Å; L254-R258 WeakPolarHBondContact O-CB 3.43Å; L254-R258 VanDerWaalsContact O-CG 3.23Å; L254-R258 WeakPolarHBondContact O-CG 3.27Å; L254-R258 PolarHBondContact O-N 3.26Å; E255-R258 PolarHBondContact O-N 3.1Å; L256-R258 VanDerWaalsContact C-N 3.35Å; L256-R258 PolarHBondContact O-N 2.83Å
259	N	97.1	Very high	97.1	Very high	43 Å²	43	26.6 Å²	26.6	23%	0.23	12%	0.124	C	C	.	.	H	α-helix	trans	-126.1	-14.5	-166.6	-63.6	-52.7	0	0	0	113.5	R134 E255 I342	R134-N259 WeakPolarHBondContact CG-O 3.15Å; E255-N259 PolarHBondContact O-N 2.78Å; E255-N259 WeakPolarHBondContact OE1-CB 3.21Å; E255-N259 PolarHBondContact OE1-ND2 3.14Å; E255-N259 PolarHBondContact OE2-ND2 2.78Å; N259-I342 HydrophobicContact CB-CD1 4.42Å
260	G	98.5	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.			trans	100.2	-170.6	176.4	0	0	0	0	0	114.9	R134 E255 L256	R134-G260 PolarHBondContact NH2-O 2.95Å; E255-G260 PolarHBondContact O-N 3.44Å; L256-G260 VanDerWaalsContact O-CA 3.24Å; L256-G260 WeakPolarHBondContact O-CA 3.44Å; L256-G260 PolarHBondContact O-N 3.32Å
261	P	98.9	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.094	C	C	.	.			trans	-49.8	148.9	-175.8	-32.7	39.4	0	0	0	115.1	A100 I110 D133 R134 R294 L295 L296	A100-P261 HydrophobicContact CB-CG 3.79Å; I110-P261 HydrophobicContact CG2-CG 4.14Å; D133-P261 HydrophobicContact CB-CB 4.41Å; D133-P261 HydrophobicContact CB-CG 4.11Å; D133-P261 WeakPolarHBondContact OD2-CG 3.49Å; R134-P261 PolarHBondContact NE-O 3.01Å; R134-P261 PolarHBondContact NH2-O 3.19Å; P261-R294 HydrophobicContact CB-CG 3.89Å; P261-L295 VanDerWaalsContact CA-O 3.22Å; P261-L295 WeakPolarHBondContact CA-O 3.5Å; P261-L295 WeakPolarHBondContact CB-O 3.18Å; P261-L296 HydrophobicContact CB-CD2 3.82Å; P261-L296 HydrophobicContact CG-CD2 3.53Å
262	V	98.9	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160	179	-64.2	0	0	0	0	110.5	I245 E255 L256 V264 R294 L295 V338 A340	I245-V262 HydrophobicContact CD1-CG1 4.24Å; E255-V262 HydrophobicContact CG-CG1 3.91Å; L256-V262 HydrophobicContact CD2-CG2 4.24Å; V262-V264 HydrophobicContact CG2-CG1 4.14Å; V262-R294 WeakPolarHBondContact O-CA 3.31Å; V262-L295 HydrophobicContact CG2-CB 3.88Å; V262-L295 HydrophobicContact CG2-CD2 4.43Å; V262-L295 PolarHBondContact N-O 2.92Å; V262-L295 VanDerWaalsContact N-O 3.16Å; V262-L295 PolarHBondContact O-N 3.46Å; V262-V338 HydrophobicContact CB-CG1 4.1Å; V262-V338 HydrophobicContact CG2-CG1 3.59Å; V262-A340 HydrophobicContact CB-CB 4.47Å; V262-A340 HydrophobicContact CG1-CB 3.79Å
263	E	98.9	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.2	166	-180	177	-134.1	0	0	109	W123 G126 A127 W172 A292 V338 N339	W123-E263 VanDerWaalsContact O-OE1 3.06Å; G126-E263 WeakPolarHBondContact CA-OE1 3.31Å; A127-E263 WeakPolarHBondContact CB-OE2 3.33Å; A127-E263 PolarHBondContact N-OE1 3.14Å; W172-E263 HydrophobicContact CZ2-CB 3.95Å; W172-E263 PolarHBondContact NE1-OE2 3.35Å; E263-A292 HydrophobicContact CG-CB 4.43Å; E263-V338 CarbonylContact O-C 3.4Å; E263-V338 WeakPolarHBondContact O-CA 3.26Å; E263-N339 HydrophobicContact CB-CB 4.41Å; E263-N339 PolarHBondContact N-O 2.98Å; E263-N339 PolarHBondContact O-N 2.64Å
264	V	98.9	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.7	168.5	-61.7	0	0	0	0	109	V262 A292 V293 L295 I309 I334 D337 V338	V262-V264 HydrophobicContact CG2-CG1 4.14Å; V264-A292 CarbonylContact O-C 3.36Å; V264-A292 WeakPolarHBondContact O-CA 3.3Å; V264-V293 HydrophobicContact CG2-CG2 3.62Å; V264-V293 PolarHBondContact N-O 3.41Å; V264-V293 PolarHBondContact O-N 2.9Å; V264-V293 VanDerWaalsContact O-O 3.12Å; V264-L295 HydrophobicContact CG1-CB 4.03Å; V264-L295 HydrophobicContact CG1-CD1 3.78Å; V264-L295 HydrophobicContact CG2-CB 4.09Å; V264-L295 HydrophobicContact CG2-CD1 4.36Å; V264-I309 HydrophobicContact CG2-CD1 4.37Å; V264-I334 HydrophobicContact CB-CG1 4.04Å; V264-I334 HydrophobicContact CG2-CD1 3.89Å; V264-I334 HydrophobicContact CG2-CG1 3.62Å; V264-D337 WeakPolarHBondContact CA-O 3.31Å; V264-V338 HydrophobicContact CG1-CB 4.22Å; V264-V338 HydrophobicContact CG1-CG1 3.86Å; V264-V338 HydrophobicContact CG1-CG2 3.95Å
265	D	98.2	Very high	97.8	Very high	35 Å²	35	20 Å²	20	19%	0.187	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.4	165.4	55.8	-89.2	0	0	0	111.9	A73 P168 H291 A292 I334 D337	A73-D265 HydrophobicContact CB-CB 4.21Å; P168-D265 HydrophobicContact CG-CB 4.49Å; D265-H291 CarbonylContact C-O 3.35Å; D265-H291 WeakPolarHBondContact CA-O 3.45Å; D265-H291 WeakPolarHBondContact CB-O 3.3Å; D265-A292 HydrophobicContact CB-CB 4.3Å; D265-I334 WeakPolarHBondContact O-CA 3.44Å; D265-D337 PolarHBondContact N-O 3.44Å; D265-D337 VanDerWaalsContact OD1-CB 3.28Å; D265-D337 WeakPolarHBondContact OD1-CB 3.46Å
266	F	98.6	Very high	97.9	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.022	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.9	-179.3	74.7	-69.7	0	0	0	111.1	V268 F272 H291 V293 F323 I325 C332 I334	F266-V268 HydrophobicContact CD2-CG2 4.27Å; F266-V268 HydrophobicContact CE1-CG2 4.22Å; F266-V268 HydrophobicContact CE2-CG2 3.58Å; F266-V268 HydrophobicContact CZ-CG2 3.54Å; F266-V268 PolarHBondContact O-N 3.23Å; F266-F272 HydrophobicContact CE2-CD1 4.23Å; F266-F272 HydrophobicContact CE2-CD2 4.26Å; F266-F272 HydrophobicContact CE2-CE1 4.07Å; F266-F272 HydrophobicContact CE2-CE2 4.08Å; F266-F272 HydrophobicContact CE2-CG 4.32Å; F266-F272 AromaticContact CE2-CZ 3.97Å; F266-F272 HydrophobicContact CE2-CZ 3.97Å; F266-F272 HydrophobicContact CZ-CD1 4.13Å; F266-F272 AromaticContact CZ-CE1 3.57Å; F266-F272 HydrophobicContact CZ-CE1 3.57Å; F266-F272 HydrophobicContact CZ-CE2 4.13Å; F266-F272 AromaticContact CZ-CZ 3.55Å; F266-F272 HydrophobicContact CZ-CZ 3.55Å; F266-H291 HydrophobicContact CD1-CB 4.32Å; F266-H291 WeakPolarHBondContact CD1-O 3.37Å; F266-H291 HydrophobicContact CE1-CB 3.83Å; F266-H291 AromaticContact CE1-CD2 3.73Å; F266-H291 HydrophobicContact CZ-CB 4.31Å; F266-H291 PolarHBondContact N-O 3.34Å; F266-H291 PolarHBondContact O-N 3.08Å; F266-V293 HydrophobicContact CD1-CG2 4Å; F266-V293 HydrophobicContact CE1-CG1 3.95Å; F266-V293 HydrophobicContact CE1-CG2 3.93Å; F266-F323 AromaticContact CE1-CZ 3.97Å; F266-F323 HydrophobicContact CE1-CZ 3.97Å; F266-F323 HydrophobicContact CZ-CE2 4.43Å; F266-F323 AromaticContact CZ-CZ 3.88Å; F266-F323 HydrophobicContact CZ-CZ 3.88Å; F266-I325 HydrophobicContact CD2-CD1 4.47Å; F266-C332 CarbonylContact C-O 3.45Å; F266-C332 WeakPolarHBondContact CA-O 3.44Å; F266-C332 HydrophobicContact CB-CB 4.35Å; F266-C332 WeakPolarHBondContact CB-O 3.29Å; F266-C332 HydrophobicContact CD2-CB 4.05Å; F266-I334 HydrophobicContact CB-CB 3.81Å; F266-I334 HydrophobicContact CB-CD1 4.3Å; F266-I334 HydrophobicContact CB-CG1 3.96Å; F266-I334 HydrophobicContact CD1-CD1 4.5Å; F266-I334 HydrophobicContact CG-CD1 4.41Å
267	E	98.6	Very high	97.9	Very high	79 Å²	79	25.9 Å²	25.9	37%	0.369	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.5	173.7	-68.9	-178	158.6	0	0	110.7	Y269 L287 C332	E267-Y269 HydrophobicContact CB-CD2 4.32Å; E267-Y269 HydrophobicContact CB-CE2 3.64Å; E267-Y269 WeakPolarHBondContact O-CD2 3.23Å; E267-Y269 PolarHBondContact OE2-OH 2.9Å; E267-L287 HydrophobicContact CB-CD1 3.67Å; E267-L287 HydrophobicContact CG-CD1 4.01Å; E267-C332 HydrophobicContact CB-CB 4.31Å; E267-C332 PolarHBondContact N-O 3.48Å; E267-C332 WeakPolarHBondContact O-CB 3.48Å
268	V	98.4	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.8	173.5	171	0	0	0	0	109.5	L71 F266 F272 L288 G289 H291	L71-V268 HydrophobicContact CD1-CB 3.86Å; L71-V268 HydrophobicContact CD1-CG1 3.92Å; L71-V268 HydrophobicContact CD2-CB 3.76Å; L71-V268 HydrophobicContact CD2-CG1 3.89Å; L71-V268 HydrophobicContact CD2-CG2 3.67Å; L71-V268 HydrophobicContact CG-CB 4.48Å; F266-V268 HydrophobicContact CD2-CG2 4.27Å; F266-V268 HydrophobicContact CE1-CG2 4.22Å; F266-V268 HydrophobicContact CE2-CG2 3.58Å; F266-V268 HydrophobicContact CZ-CG2 3.54Å; F266-V268 PolarHBondContact O-N 3.23Å; V268-F272 HydrophobicContact CG1-CB 4.23Å; V268-F272 HydrophobicContact CG1-CD1 4.03Å; V268-F272 HydrophobicContact CG2-CD1 4.1Å; V268-F272 HydrophobicContact CG2-CE1 4.46Å; V268-L288 WeakPolarHBondContact O-CB 3.2Å; V268-L288 PolarHBondContact O-N 3.44Å; V268-G289 PolarHBondContact N-O 2.85Å; V268-H291 HydrophobicContact CG2-CB 3.51Å
269	Y	97.7	Very high	98.2	Very high	47 Å²	47	17.3 Å²	17.3	18%	0.184	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	161.2	171.7	-67.6	-95.8	0	0	0	110.8	E267 D271 F272 P273 H282 A286 L287 C332	E267-Y269 HydrophobicContact CB-CD2 4.32Å; E267-Y269 HydrophobicContact CB-CE2 3.64Å; E267-Y269 WeakPolarHBondContact O-CD2 3.23Å; E267-Y269 PolarHBondContact OE2-OH 2.9Å; Y269-D271 WeakPolarHBondContact CB-OD1 3.26Å; Y269-D271 PolarHBondContact O-N 3.38Å; Y269-D271 VanDerWaalsContact O-N 3.1Å; Y269-F272 WeakPolarHBondContact O-CB 3.18Å; Y269-F272 PolarHBondContact O-N 3.31Å; Y269-F272 VanDerWaalsContact O-N 3.08Å; Y269-P273 VanDerWaalsContact O-CD 3.28Å; Y269-P273 WeakPolarHBondContact O-CD 3.48Å; Y269-H282 WeakPolarHBondContact CB-ND1 3.43Å; Y269-H282 AromaticContact CD1-CD2 3.86Å; Y269-H282 AromaticContact CD1-CE1 3.46Å; Y269-H282 VanDerWaalsContact CD1-CE1 3.46Å; Y269-H282 WeakPolarHBondContact CD1-CE1 3.37Å; Y269-H282 AromaticContact CD1-CG 4Å; Y269-H282 AromaticContact CD1-ND1 3.79Å; Y269-H282 AromaticContact CD1-NE2 3.6Å; Y269-H282 HydrophobicContact CD2-CB 4.2Å; Y269-H282 AromaticContact CD2-CG 3.88Å; Y269-H282 AromaticContact CE1-NE2 3.99Å; Y269-H282 HydrophobicContact CG-CB 4.4Å; Y269-H282 AromaticContact CG-CD2 3.96Å; Y269-H282 AromaticContact CG-CE1 3.63Å; Y269-H282 AromaticContact CG-CG 3.64Å; Y269-H282 AromaticContact CG-ND1 3.44Å; Y269-A286 WeakPolarHBondContact CA-O 3.34Å; Y269-L287 HydrophobicContact CD1-CB 4.38Å; Y269-L287 HydrophobicContact CE1-CB 4.12Å; Y269-L287 HydrophobicContact CE1-CD1 4.45Å; Y269-L287 HydrophobicContact CE2-CD1 4.41Å; Y269-C332 HydrophobicContact CE2-CB 4.34Å
270	A	96.5	Very high	98.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.008	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.9	-173.5	0	0	0	0	0	116.4	P36 A286 L288	P36-A270 HydrophobicContact CB-CB 3.86Å; P36-A270 HydrophobicContact CG-CB 3.59Å; A270-A286 PolarHBondContact N-O 2.94Å; A270-L288 HydrophobicContact CB-CD1 4.13Å; A270-L288 HydrophobicContact CB-CD2 4.31Å; A270-L288 HydrophobicContact CB-CG 4.2Å
271	D	97.3	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-29.9	172.4	52	-6.9	0	0	0	113.6	L41 I45 W53 Y269 N274 Y280 H282 V283 S284	L41-D271 HydrophobicContact CD1-CB 4.18Å; L41-D271 HydrophobicContact CD2-CB 4.5Å; I45-D271 HydrophobicContact CD1-CB 3.97Å; W53-D271 HydrophobicContact CH2-CB 4.04Å; W53-D271 WeakPolarHBondContact CH2-O 3.48Å; W53-D271 HydrophobicContact CZ2-CB 4.1Å; Y269-D271 WeakPolarHBondContact CB-OD1 3.26Å; Y269-D271 PolarHBondContact O-N 3.38Å; Y269-D271 VanDerWaalsContact O-N 3.1Å; D271-N274 PolarHBondContact O-N 3.38Å; D271-Y280 PolarHBondContact OD1-OH 3.31Å; D271-Y280 VanDerWaalsContact OD1-OH 3.05Å; D271-H282 IonicContact OD1-CE1 3.79Å; D271-H282 IonicContact OD1-ND1 3.94Å; D271-H282 PolarHBondContact OD1-ND1 3.39Å; D271-H282 IonicContact OD2-CE1 3.13Å; D271-H282 IonicContact OD2-CG 2.64Å; D271-H282 IonicContact OD2-ND1 3.99Å; D271-H282 PolarHBondContact OD2-ND1 2.92Å; D271-H282 VanDerWaalsContact OD2-ND1 3.13Å; D271-V283 PolarHBondContact OD2-N 2.95Å; D271-S284 VanDerWaalsContact CB-O 3.3Å; D271-S284 WeakPolarHBondContact CB-O 3.47Å; D271-S284 PolarHBondContact OD2-N 2.68Å; D271-S284 VanDerWaalsContact OD2-O 3.12Å
272	F	98.3	Very high	98.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-60.1	-40.1	-176.4	-176.9	-102.9	0	0	0	115.8	F266 V268 Y269 N274 Y275 Y280 W313 W317 F323	F266-F272 HydrophobicContact CE2-CD1 4.23Å; F266-F272 HydrophobicContact CE2-CD2 4.26Å; F266-F272 HydrophobicContact CE2-CE1 4.07Å; F266-F272 HydrophobicContact CE2-CE2 4.08Å; F266-F272 HydrophobicContact CE2-CG 4.32Å; F266-F272 AromaticContact CE2-CZ 3.97Å; F266-F272 HydrophobicContact CE2-CZ 3.97Å; F266-F272 HydrophobicContact CZ-CD1 4.13Å; F266-F272 AromaticContact CZ-CE1 3.57Å; F266-F272 HydrophobicContact CZ-CE1 3.57Å; F266-F272 HydrophobicContact CZ-CE2 4.13Å; F266-F272 AromaticContact CZ-CZ 3.55Å; F266-F272 HydrophobicContact CZ-CZ 3.55Å; V268-F272 HydrophobicContact CG1-CB 4.23Å; V268-F272 HydrophobicContact CG1-CD1 4.03Å; V268-F272 HydrophobicContact CG2-CD1 4.1Å; V268-F272 HydrophobicContact CG2-CE1 4.46Å; Y269-F272 WeakPolarHBondContact O-CB 3.18Å; Y269-F272 PolarHBondContact O-N 3.31Å; Y269-F272 VanDerWaalsContact O-N 3.08Å; F272-N274 PolarHBondContact O-N 2.63Å; F272-Y275 WeakPolarHBondContact O-CB 3.24Å; F272-Y275 PolarHBondContact O-N 3.1Å; F272-Y280 HydrophobicContact CB-CE2 3.97Å; F272-Y280 AromaticContact CD2-CD1 3.94Å; F272-Y280 HydrophobicContact CD2-CD1 3.94Å; F272-Y280 AromaticContact CD2-CD2 3.9Å; F272-Y280 HydrophobicContact CD2-CD2 3.9Å; F272-Y280 AromaticContact CD2-CE1 3.83Å; F272-Y280 HydrophobicContact CD2-CE1 3.83Å; F272-Y280 AromaticContact CD2-CE2 3.79Å; F272-Y280 HydrophobicContact CD2-CE2 3.79Å; F272-Y280 AromaticContact CD2-CG 3.98Å; F272-Y280 HydrophobicContact CD2-CG 3.98Å; F272-Y280 AromaticContact CD2-CZ 3.76Å; F272-Y280 HydrophobicContact CE2-CD1 4.33Å; F272-Y280 HydrophobicContact CE2-CG 4.38Å; F272-Y280 HydrophobicContact CG-CE2 4.4Å; F272-W313 AromaticContact CD1-CH2 3.97Å; F272-W313 HydrophobicContact CD1-CH2 3.97Å; F272-W313 HydrophobicContact CD1-CZ3 4.08Å; F272-W313 AromaticContact CE1-CH2 3.73Å; F272-W313 HydrophobicContact CE1-CH2 3.73Å; F272-W313 AromaticContact CE1-CZ3 3.71Å; F272-W313 HydrophobicContact CE1-CZ3 3.71Å; F272-W317 HydrophobicContact CD1-CZ2 4.3Å; F272-W317 AromaticContact CE1-CH2 3.76Å; F272-W317 HydrophobicContact CE1-CH2 3.76Å; F272-W317 AromaticContact CE1-CZ2 3.7Å; F272-W317 HydrophobicContact CE1-CZ2 3.7Å; F272-W317 HydrophobicContact CE2-CH2 4.1Å; F272-W317 HydrophobicContact CE2-CZ2 4.41Å; F272-W317 AromaticContact CZ-CH2 3.41Å; F272-W317 HydrophobicContact CZ-CH2 3.41Å; F272-W317 VanDerWaalsContact CZ-CH2 3.41Å; F272-W317 AromaticContact CZ-CZ2 3.78Å; F272-W317 HydrophobicContact CZ-CZ2 3.78Å; F272-F323 HydrophobicContact CE2-CD1 4.45Å; F272-F323 AromaticContact CE2-CD2 3.67Å; F272-F323 HydrophobicContact CE2-CD2 3.67Å; F272-F323 AromaticContact CE2-CE2 3.76Å; F272-F323 HydrophobicContact CE2-CE2 3.76Å; F272-F323 HydrophobicContact CE2-CG 4.02Å; F272-F323 HydrophobicContact CE2-CZ 4.18Å; F272-F323 AromaticContact CZ-CD1 3.94Å; F272-F323 HydrophobicContact CZ-CD1 3.94Å; F272-F323 AromaticContact CZ-CD2 3.95Å; F272-F323 HydrophobicContact CZ-CD2 3.95Å; F272-F323 AromaticContact CZ-CE1 3.84Å; F272-F323 HydrophobicContact CZ-CE1 3.84Å; F272-F323 AromaticContact CZ-CE2 3.86Å; F272-F323 HydrophobicContact CZ-CE2 3.86Å; F272-F323 AromaticContact CZ-CG 3.97Å; F272-F323 HydrophobicContact CZ-CG 3.97Å; F272-F323 AromaticContact CZ-CZ 3.79Å; F272-F323 HydrophobicContact CZ-CZ 3.79Å
273	P	97.3	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-55.9	-24.5	-179.7	-28.9	36.6	0	0	0	114.4	L37 T58 F61 I67 Y269 L288 W317	L37-P273 HydrophobicContact CD2-CB 4.12Å; T58-P273 VanDerWaalsContact CB-O 3.28Å; T58-P273 WeakPolarHBondContact CB-O 3.45Å; T58-P273 PolarHBondContact OG1-O 3.48Å; F61-P273 HydrophobicContact CD2-CB 3.92Å; F61-P273 HydrophobicContact CE2-CB 4.27Å; I67-P273 HydrophobicContact CD1-CB 3.93Å; I67-P273 HydrophobicContact CD1-CG 3.62Å; I67-P273 HydrophobicContact CG1-CB 4.21Å; I67-P273 HydrophobicContact CG1-CG 4.01Å; I67-P273 HydrophobicContact CG2-CG 3.86Å; Y269-P273 VanDerWaalsContact O-CD 3.28Å; Y269-P273 WeakPolarHBondContact O-CD 3.48Å; P273-L288 HydrophobicContact CG-CD1 4.4Å; P273-W317 PolarHBondContact O-NE1 3.37Å; P273-W317 VanDerWaalsContact O-NE1 3.08Å
274	N	97.5	Very high	97.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.011	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-90.4	3	177.6	-69.3	108.3	0	0	0	114.1	L37 I42 A55 A56 D271 F272 K276	L37-N274 WeakPolarHBondContact CA-OD1 3.45Å; I42-N274 HydrophobicContact CG1-CB 4.3Å; A55-N274 CarbonylContact C-O 3.59Å; A55-N274 WeakPolarHBondContact CA-O 3.19Å; A55-N274 HydrophobicContact CB-CB 4.17Å; A56-N274 PolarHBondContact N-O 3.02Å; A56-N274 WeakPolarHBondContact O-CB 3.22Å; A56-N274 PolarHBondContact O-ND2 3.13Å; D271-N274 PolarHBondContact O-N 3.38Å; F272-N274 PolarHBondContact O-N 2.63Å; N274-K276 PolarHBondContact O-N 2.8Å
275	Y	98.5	Very high	97.6	Very high	6 Å²	6	20.6 Å²	20.6	2%	0.024	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	132.7	176.9	173.2	-86.9	0	0	0	111.4	W53 F272 G278 Y280 W317 G318 F323 K324	W53-Y275 HydrophobicContact CB-CD2 4.45Å; W53-Y275 HydrophobicContact CB-CE2 4.31Å; W53-Y275 HydrophobicContact CD2-CD2 4.49Å; W53-Y275 AromaticContact CE3-CD2 3.96Å; W53-Y275 HydrophobicContact CE3-CD2 3.96Å; F272-Y275 WeakPolarHBondContact O-CB 3.24Å; F272-Y275 PolarHBondContact O-N 3.1Å; Y275-G278 WeakPolarHBondContact CE2-O 3.5Å; Y275-G278 PolarHBondContact OH-O 2.89Å; Y275-Y280 HydrophobicContact CD2-CD2 4.4Å; Y275-W317 AromaticContact CD1-CH2 3.94Å; Y275-W317 HydrophobicContact CD1-CH2 3.94Å; Y275-W317 HydrophobicContact CD1-CZ2 4.26Å; Y275-W317 HydrophobicContact CD1-CZ3 4.45Å; Y275-W317 HydrophobicContact CG-CH2 4.44Å; Y275-G318 WeakPolarHBondContact O-CA 3.33Å; Y275-F323 HydrophobicContact CD1-CB 3.66Å; Y275-F323 HydrophobicContact CD2-CB 4.49Å; Y275-F323 HydrophobicContact CE1-CB 3.3Å; Y275-F323 HydrophobicContact CE2-CB 4.17Å; Y275-F323 HydrophobicContact CG-CB 4.26Å; Y275-K324 PolarHBondContact OH-N 2.98Å
276	K	98.3	Very high	97.4	Very high	92 Å²	92	21.1 Å²	21.1	40%	0.4	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-42.9	174.5	-172.9	58.8	-173.4	165	0	114.2	K54 A56 N274 G318 D319	K54-K276 WeakPolarHBondContact O-CB 3.45Å; K54-K276 PolarHBondContact O-N 3.25Å; A56-K276 HydrophobicContact CB-CB 3.84Å; A56-K276 HydrophobicContact CB-CD 4.31Å; A56-K276 HydrophobicContact CB-CG 3.98Å; N274-K276 PolarHBondContact O-N 2.8Å; K276-G318 PolarHBondContact NZ-O 2.96Å; K276-G318 CarbonylContact O-C 3.49Å; K276-D319 PolarHBondContact O-N 2.87Å
277	S	98.5	Very high	97.3	Very high	45 Å²	45	24.9 Å²	24.9	32%	0.315	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	165.8	-176.5	61.3	0	0	0	0	112	W53 K54	W53-S277 CarbonylContact C-O 3.57Å; W53-S277 WeakPolarHBondContact CA-O 3.48Å; W53-S277 VanDerWaalsContact CB-O 3.27Å; W53-S277 WeakPolarHBondContact CB-O 3.49Å; K54-S277 PolarHBondContact N-O 2.78Å; K54-S277 PolarHBondContact O-N 3.22Å
278	G	98.7	Very high	97.1	Very high	8 Å²	8	22 Å²	22	8%	0.082	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.2	-168.7	177.3	0	0	0	0	0	112.6	T52 Y275 K324	T52-G278 CarbonylContact O-C 3.57Å; T52-G278 WeakPolarHBondContact O-CA 3.45Å; Y275-G278 WeakPolarHBondContact CE2-O 3.5Å; Y275-G278 PolarHBondContact OH-O 2.89Å; G278-K324 WeakPolarHBondContact O-CB 3.36Å
279	V	98.8	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.7	-176.1	-172.1	0	0	0	0	110.2	T52 E301 V304 Y306 K324 V326	T52-V279 CarbonylContact C-O 3.56Å; T52-V279 PolarHBondContact O-N 3.24Å; T52-V279 PolarHBondContact OG1-O 3.04Å; V279-E301 HydrophobicContact CG2-CB 4Å; V279-V304 HydrophobicContact CB-CG1 4.06Å; V279-V304 HydrophobicContact CG1-CG1 3.82Å; V279-V304 HydrophobicContact CG2-CB 4.39Å; V279-V304 HydrophobicContact CG2-CG1 4.35Å; V279-Y306 HydrophobicContact CG2-CD1 3.92Å; V279-Y306 HydrophobicContact CG2-CG 4.22Å; V279-K324 HydrophobicContact CG2-CB 4.35Å; V279-V326 HydrophobicContact CG1-CB 4.4Å; V279-V326 HydrophobicContact CG1-CG2 3.58Å
280	Y	98.8	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137	-177	175.3	-101.7	0	0	0	112.7	W53 D271 F272 Y275 K324 I325 V326	W53-Y280 AromaticContact CD2-CD2 3.97Å; W53-Y280 HydrophobicContact CD2-CD2 3.97Å; W53-Y280 AromaticContact CE2-CD2 3.65Å; W53-Y280 HydrophobicContact CE3-CD2 4.39Å; W53-Y280 HydrophobicContact CG-CD2 4.38Å; W53-Y280 HydrophobicContact CH2-CD2 4.24Å; W53-Y280 HydrophobicContact CH2-CE2 4.17Å; W53-Y280 AromaticContact CZ2-CD2 3.82Å; W53-Y280 HydrophobicContact CZ2-CD2 3.82Å; W53-Y280 AromaticContact CZ2-CE2 3.75Å; W53-Y280 HydrophobicContact CZ2-CE2 3.75Å; W53-Y280 AromaticContact NE1-CD2 3.87Å; D271-Y280 PolarHBondContact OD1-OH 3.31Å; D271-Y280 VanDerWaalsContact OD1-OH 3.05Å; F272-Y280 HydrophobicContact CB-CE2 3.97Å; F272-Y280 AromaticContact CD2-CD1 3.94Å; F272-Y280 HydrophobicContact CD2-CD1 3.94Å; F272-Y280 AromaticContact CD2-CD2 3.9Å; F272-Y280 HydrophobicContact CD2-CD2 3.9Å; F272-Y280 AromaticContact CD2-CE1 3.83Å; F272-Y280 HydrophobicContact CD2-CE1 3.83Å; F272-Y280 AromaticContact CD2-CE2 3.79Å; F272-Y280 HydrophobicContact CD2-CE2 3.79Å; F272-Y280 AromaticContact CD2-CG 3.98Å; F272-Y280 HydrophobicContact CD2-CG 3.98Å; F272-Y280 AromaticContact CD2-CZ 3.76Å; F272-Y280 HydrophobicContact CE2-CD1 4.33Å; F272-Y280 HydrophobicContact CE2-CG 4.38Å; F272-Y280 HydrophobicContact CG-CE2 4.4Å; Y275-Y280 HydrophobicContact CD2-CD2 4.4Å; Y280-K324 WeakPolarHBondContact CB-O 3.23Å; Y280-K324 PolarHBondContact N-O 3.08Å; Y280-I325 HydrophobicContact CD1-CB 4.43Å; Y280-I325 HydrophobicContact CD1-CD1 3.87Å; Y280-I325 HydrophobicContact CD1-CG1 3.94Å; Y280-I325 HydrophobicContact CE1-CD1 4.29Å; Y280-V326 PolarHBondContact O-N 2.88Å
281	Q	97.9	Very high	97.3	Very high	47 Å²	47	21.9 Å²	21.9	22%	0.22	14%	0.135	C	C	.	.			trans	-146.1	131.9	172.6	-64.9	169.5	50.6	0	0	106.8	T52 W53 V283 V326 E331	T52-Q281 PolarHBondContact OG1-NE2 3.02Å; W53-Q281 PolarHBondContact NE1-O 2.04Å; Q281-V283 PolarHBondContact O-N 3.31Å; Q281-V326 HydrophobicContact CG-CB 4.21Å; Q281-V326 HydrophobicContact CG-CG2 3.22Å; Q281-E331 WeakPolarHBondContact CA-OE1 3.41Å
282	H	97.5	Very high	97.3	Very high	29 Å²	29	21.9 Å²	21.9	13%	0.134	14%	0.135	C	C	.	.			trans	-70.4	118.8	-179.8	167.7	57.6	0	0	0	111.3	K31 Y269 D271 S284 G285 E331	K31-H282 PolarHBondContact NZ-CD2 3.23Å; K31-H282 PolarHBondContact NZ-NE2 3.17Å; K31-H282 VanDerWaalsContact NZ-NE2 3.17Å; K31-H282 PolarHBondContact NZ-O 3.3Å; Y269-H282 WeakPolarHBondContact CB-ND1 3.43Å; Y269-H282 AromaticContact CD1-CD2 3.86Å; Y269-H282 AromaticContact CD1-CE1 3.46Å; Y269-H282 VanDerWaalsContact CD1-CE1 3.46Å; Y269-H282 WeakPolarHBondContact CD1-CE1 3.37Å; Y269-H282 AromaticContact CD1-CG 4Å; Y269-H282 AromaticContact CD1-ND1 3.79Å; Y269-H282 AromaticContact CD1-NE2 3.6Å; Y269-H282 HydrophobicContact CD2-CB 4.2Å; Y269-H282 AromaticContact CD2-CG 3.88Å; Y269-H282 AromaticContact CE1-NE2 3.99Å; Y269-H282 HydrophobicContact CG-CB 4.4Å; Y269-H282 AromaticContact CG-CD2 3.96Å; Y269-H282 AromaticContact CG-CE1 3.63Å; Y269-H282 AromaticContact CG-CG 3.64Å; Y269-H282 AromaticContact CG-ND1 3.44Å; D271-H282 IonicContact OD1-CE1 3.79Å; D271-H282 IonicContact OD1-ND1 3.94Å; D271-H282 PolarHBondContact OD1-ND1 3.39Å; D271-H282 IonicContact OD2-CE1 3.13Å; D271-H282 IonicContact OD2-CG 2.64Å; D271-H282 IonicContact OD2-ND1 3.99Å; D271-H282 PolarHBondContact OD2-ND1 2.92Å; D271-H282 VanDerWaalsContact OD2-ND1 3.13Å; H282-S284 PolarHBondContact CE1-O 3.07Å; H282-S284 PolarHBondContact ND1-O 2.91Å; H282-G285 PolarHBondContact CE1-O 3.21Å; H282-G285 VanDerWaalsContact CE1-O 3.28Å; H282-E331 PolarHBondContact N-OE1 2.98Å
283	V	96.1	Very high	97.4	Very high	26 Å²	26	22 Å²	22	16%	0.158	14%	0.136	C	C	.	.			trans	-117.1	-26.4	-176.1	-67.6	0	0	0	0	113.3	F44 I45 A49 W53 D271 Q281	F44-V283 HydrophobicContact CE1-CB 4.32Å; F44-V283 HydrophobicContact CE1-CG2 4.14Å; I45-V283 HydrophobicContact CG1-CG2 3.93Å; A49-V283 HydrophobicContact CB-CB 4.13Å; A49-V283 HydrophobicContact CB-CG1 4.26Å; A49-V283 HydrophobicContact CB-CG2 3.99Å; W53-V283 HydrophobicContact CZ2-CG2 4.24Å; D271-V283 PolarHBondContact OD2-N 2.95Å; Q281-V283 PolarHBondContact O-N 3.31Å
284	S	94.8	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-156.7	157.1	-178.4	-177	0	0	0	0	113.1	R32 Y34 D271 H282	R32-S284 PolarHBondContact O-OG 2.89Å; Y34-S284 WeakPolarHBondContact CD2-OG 3.25Å; D271-S284 VanDerWaalsContact CB-O 3.3Å; D271-S284 WeakPolarHBondContact CB-O 3.47Å; D271-S284 PolarHBondContact OD2-N 2.68Å; D271-S284 VanDerWaalsContact OD2-O 3.12Å; H282-S284 PolarHBondContact CE1-O 3.07Å; H282-S284 PolarHBondContact ND1-O 2.91Å
285	G	93.4	Very high	97.5	Very high	11 Å²	11	22 Å²	22	11%	0.113	14%	0.136	C	C	.	.	S	Bend	trans	96.6	160	173.2	0	0	0	0	0	113.9	H282	H282-G285 PolarHBondContact CE1-O 3.21Å; H282-G285 VanDerWaalsContact CE1-O 3.28Å
286	A	93.8	Very high	97.5	Very high	46 Å²	46	21.8 Å²	21.8	38%	0.38	14%	0.135	S	C	.	.			trans	-79.7	158.3	-178.8	0	0	0	0	0	111.8	M33 Y269 A270 L288	M33-A286 HydrophobicContact CE-CB 4.16Å; Y269-A286 WeakPolarHBondContact CA-O 3.34Å; A270-A286 PolarHBondContact N-O 2.94Å; A286-L288 PolarHBondContact O-N 2.98Å
287	L	95.7	Very high	97.5	Very high	84 Å²	84	17.4 Å²	17.4	44%	0.44	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	132.2	165.3	-179.9	65	0	0	0	109.9	E267 Y269	E267-L287 HydrophobicContact CB-CD1 3.67Å; E267-L287 HydrophobicContact CG-CD1 4.01Å; Y269-L287 HydrophobicContact CD1-CB 4.38Å; Y269-L287 HydrophobicContact CE1-CB 4.12Å; Y269-L287 HydrophobicContact CE1-CD1 4.45Å; Y269-L287 HydrophobicContact CE2-CD1 4.41Å
288	L	96.3	Very high	97.6	Very high	18 Å²	18	15.4 Å²	15.4	9%	0.094	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-34.3	177.9	-62.4	-173.6	0	0	0	112.8	V64 I67 R68 L71 V268 A270 P273 A286	V64-L288 HydrophobicContact CG1-CD2 3.72Å; I67-L288 HydrophobicContact CB-CD1 4.24Å; I67-L288 HydrophobicContact CD1-CD1 4.1Å; I67-L288 HydrophobicContact CG2-CD1 3.62Å; R68-L288 HydrophobicContact CG-CB 4.48Å; L71-L288 HydrophobicContact CD1-CB 3.61Å; V268-L288 WeakPolarHBondContact O-CB 3.2Å; V268-L288 PolarHBondContact O-N 3.44Å; A270-L288 HydrophobicContact CB-CD1 4.13Å; A270-L288 HydrophobicContact CB-CD2 4.31Å; A270-L288 HydrophobicContact CB-CG 4.2Å; P273-L288 HydrophobicContact CG-CD1 4.4Å; A286-L288 PolarHBondContact O-N 2.98Å
289	G	97.6	Very high	97.6	Very high	24 Å²	24	15 Å²	15	25%	0.247	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-175.7	-179.3	0	0	0	0	0	112.5	V268	V268-G289 PolarHBondContact N-O 2.85Å
290	G	98.4	Very high	97.5	Very high	22 Å²	22	19.3 Å²	19.3	23%	0.227	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.9	174.8	0	0	0	0	0	112.1	L71 A73	L71-G290 CarbonylContact C-O 3.56Å; L71-G290 VanDerWaalsContact CA-O 3.28Å; L71-G290 WeakPolarHBondContact CA-O 3.42Å; L71-G290 WeakPolarHBondContact CB-O 3.49Å; A73-G290 PolarHBondContact N-O 3.43Å; A73-G290 VanDerWaalsContact N-O 3.15Å; A73-G290 WeakPolarHBondContact O-CA 3.11Å
291	H	98.8	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.7	177.9	-168.9	43.5	0	0	0	111.1	L71 Q116 C122 D265 F266 V268 V293 N311 W313	L71-H291 HydrophobicContact CD2-CB 3.79Å; Q116-H291 PolarHBondContact OE1-CE1 3.44Å; C122-H291 WeakPolarHBondContact CB-CE1 3.33Å; C122-H291 WeakPolarHBondContact CB-ND1 3.17Å; C122-H291 PolarHBondContact SG-ND1 2.92Å; D265-H291 CarbonylContact C-O 3.35Å; D265-H291 WeakPolarHBondContact CA-O 3.45Å; D265-H291 WeakPolarHBondContact CB-O 3.3Å; F266-H291 HydrophobicContact CD1-CB 4.32Å; F266-H291 WeakPolarHBondContact CD1-O 3.37Å; F266-H291 HydrophobicContact CE1-CB 3.83Å; F266-H291 AromaticContact CE1-CD2 3.73Å; F266-H291 HydrophobicContact CZ-CB 4.31Å; F266-H291 PolarHBondContact N-O 3.34Å; F266-H291 PolarHBondContact O-N 3.08Å; V268-H291 HydrophobicContact CG2-CB 3.51Å; H291-V293 WeakPolarHBondContact CD2-CG1 3.35Å; H291-V293 WeakPolarHBondContact NE2-CG1 3.49Å; H291-N311 PolarHBondContact NE2-OD1 3.25Å; H291-W313 AromaticContact CD2-CZ2 3.67Å; H291-W313 AromaticContact CE1-CE2 3.73Å; H291-W313 AromaticContact CE1-CZ2 3.82Å; H291-W313 AromaticContact CE1-NE1 3.3Å; H291-W313 PolarHBondContact CE1-NE1 3.27Å; H291-W313 VanDerWaalsContact CE1-NE1 3.3Å; H291-W313 AromaticContact NE2-CE2 3.48Å; H291-W313 AromaticContact NE2-CZ2 3.51Å; H291-W313 AromaticContact NE2-NE1 3.43Å; H291-W313 PolarHBondContact NE2-NE1 3.49Å
292	A	98.8	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.7	177.3	0	0	0	0	0	110.5	A73 C122 P168 E263 V264 D265	A73-A292 HydrophobicContact CB-CB 3.97Å; C122-A292 HydrophobicContact CB-CB 4.44Å; C122-A292 PolarHBondContact SG-N 2.87Å; P168-A292 HydrophobicContact CG-CB 4.4Å; E263-A292 HydrophobicContact CG-CB 4.43Å; V264-A292 CarbonylContact O-C 3.36Å; V264-A292 WeakPolarHBondContact O-CA 3.3Å; D265-A292 HydrophobicContact CB-CB 4.3Å
293	V	98.9	Very high	97.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164	-170.5	-69.7	0	0	0	0	110.2	V264 F266 H291 I309 F323	V264-V293 HydrophobicContact CG2-CG2 3.62Å; V264-V293 PolarHBondContact N-O 3.41Å; V264-V293 PolarHBondContact O-N 2.9Å; V264-V293 VanDerWaalsContact O-O 3.12Å; F266-V293 HydrophobicContact CD1-CG2 4Å; F266-V293 HydrophobicContact CE1-CG1 3.95Å; F266-V293 HydrophobicContact CE1-CG2 3.93Å; H291-V293 WeakPolarHBondContact CD2-CG1 3.35Å; H291-V293 WeakPolarHBondContact NE2-CG1 3.49Å; V293-I309 HydrophobicContact CB-CG2 3.54Å; V293-I309 HydrophobicContact CG1-CG2 4.32Å; V293-I309 HydrophobicContact CG2-CG2 3.39Å; V293-F323 HydrophobicContact CG1-CE1 4.22Å; V293-F323 HydrophobicContact CG2-CZ 4.27Å
294	R	98.8	Very high	97.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.2	-179.7	176.3	173.2	44	157.6	-1.5	110.9	S109 E112 E129 D133 P261 V262 L296 A310	S109-R294 PolarHBondContact O-NH1 3.29Å; E112-R294 PolarHBondContact O-NH2 3.21Å; E129-R294 IonicContact OE2-CZ 2.73Å; E129-R294 IonicContact OE2-NE 2.84Å; E129-R294 PolarHBondContact OE2-NE 3.31Å; E129-R294 IonicContact OE2-NH2 3.89Å; E129-R294 PolarHBondContact OE2-NH2 2.01Å; D133-R294 VanDerWaalsContact CG-NH1 3.31Å; D133-R294 IonicContact OD1-NH1 3.25Å; D133-R294 PolarHBondContact OD1-NH1 3.49Å; D133-R294 WeakPolarHBondContact OD2-CD 3.48Å; D133-R294 IonicContact OD2-CZ 2.96Å; D133-R294 IonicContact OD2-NE 3.8Å; D133-R294 IonicContact OD2-NH1 3.37Å; D133-R294 PolarHBondContact OD2-NH1 3.12Å; P261-R294 HydrophobicContact CB-CG 3.89Å; V262-R294 WeakPolarHBondContact O-CA 3.31Å; R294-L296 HydrophobicContact CG-CD2 3.89Å; R294-A310 HydrophobicContact CB-CB 4.49Å; R294-A310 PolarHBondContact N-O 2.68Å; R294-A310 PolarHBondContact O-N 2.82Å
295	L	98.9	Very high	97.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.7	177.2	-168.8	162.5	0	0	0	109.7	I252 L256 P261 V262 V264 W307 I309	I252-L295 HydrophobicContact CG2-CD1 4.27Å; I252-L295 HydrophobicContact CG2-CD2 4.49Å; L256-L295 HydrophobicContact CD1-CD2 3.14Å; L256-L295 HydrophobicContact CD2-CD2 3.52Å; L256-L295 WeakPolarHBondContact CD2-O 3.19Å; L256-L295 HydrophobicContact CG-CD2 3.83Å; P261-L295 VanDerWaalsContact CA-O 3.22Å; P261-L295 WeakPolarHBondContact CA-O 3.5Å; P261-L295 WeakPolarHBondContact CB-O 3.18Å; V262-L295 HydrophobicContact CG2-CB 3.88Å; V262-L295 HydrophobicContact CG2-CD2 4.43Å; V262-L295 PolarHBondContact N-O 2.92Å; V262-L295 VanDerWaalsContact N-O 3.16Å; V262-L295 PolarHBondContact O-N 3.46Å; V264-L295 HydrophobicContact CG1-CB 4.03Å; V264-L295 HydrophobicContact CG1-CD1 3.78Å; V264-L295 HydrophobicContact CG2-CB 4.09Å; V264-L295 HydrophobicContact CG2-CD1 4.36Å; L295-W307 HydrophobicContact CD1-CB 4.19Å; L295-W307 HydrophobicContact CD1-CD2 3.93Å; L295-W307 HydrophobicContact CD1-CE3 4.04Å; L295-W307 HydrophobicContact CD1-CG 4.04Å; L295-W307 HydrophobicContact CD2-CE3 3.96Å; L295-W307 HydrophobicContact CD2-CZ3 4.4Å; L295-W307 HydrophobicContact CG-CB 4.44Å; L295-W307 HydrophobicContact CG-CE3 4.41Å; L295-I309 HydrophobicContact CB-CD1 3.76Å; L295-I309 HydrophobicContact CD1-CD1 3.92Å; L295-I309 HydrophobicContact CG-CD1 3.55Å
296	L	98.9	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-21	-171.9	-63.2	180	0	0	0	114.4	A100 I110 P261 R294 L308 A310 Y322	A100-L296 VanDerWaalsContact CB-O 3.23Å; A100-L296 WeakPolarHBondContact CB-O 3.47Å; A100-L296 PolarHBondContact N-O 3.32Å; A100-L296 VanDerWaalsContact N-O 3.16Å; I110-L296 HydrophobicContact CG2-CD2 3.92Å; P261-L296 HydrophobicContact CB-CD2 3.82Å; P261-L296 HydrophobicContact CG-CD2 3.53Å; R294-L296 HydrophobicContact CG-CD2 3.89Å; L296-L308 HydrophobicContact CB-CD2 4.36Å; L296-L308 HydrophobicContact CB-CG 4.41Å; L296-L308 PolarHBondContact N-O 3.45Å; L296-A310 HydrophobicContact CD1-CB 3.81Å; L296-A310 HydrophobicContact CG-CB 4.21Å; L296-Y322 HydrophobicContact CD1-CD1 4.17Å; L296-Y322 HydrophobicContact CD1-CE1 3.59Å
297	G	98.8	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-159.9	-172.5	0	0	0	0	0	113.6	F98 L308	F98-G297 CarbonylContact O-C 3.56Å; F98-G297 VanDerWaalsContact O-CA 3.26Å; F98-G297 WeakPolarHBondContact O-CA 3.41Å; G297-L308 PolarHBondContact O-N 3.35Å
298	W	98.9	Very high	98.4	Very high	3 Å²	3	29 Å²	29	1%	0.011	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167	-179.1	69.1	90.3	0	0	0	111.6	P95 K96 S97 F98 M253 L256 M257 Y306 W307	P95-W298 HydrophobicContact CG-CZ2 3.84Å; P95-W298 PolarHBondContact O-NE1 3.49Å; K96-W298 VanDerWaalsContact O-CD1 3.3Å; K96-W298 PolarHBondContact O-NE1 2.86Å; S97-W298 CarbonylContact C-O 3.58Å; S97-W298 VanDerWaalsContact CA-O 3.26Å; S97-W298 WeakPolarHBondContact CA-O 3.38Å; F98-W298 HydrophobicContact CB-CD2 3.72Å; F98-W298 HydrophobicContact CB-CE3 3.6Å; F98-W298 HydrophobicContact CB-CH2 3.43Å; F98-W298 VanDerWaalsContact CB-CH2 3.43Å; F98-W298 HydrophobicContact CB-CZ2 3.51Å; F98-W298 HydrophobicContact CB-CZ3 3.43Å; F98-W298 VanDerWaalsContact CB-CZ3 3.43Å; F98-W298 HydrophobicContact CD1-CE3 4.07Å; F98-W298 HydrophobicContact CD1-CH2 4.25Å; F98-W298 AromaticContact CD1-CZ3 3.65Å; F98-W298 HydrophobicContact CD1-CZ3 3.65Å; F98-W298 HydrophobicContact CD2-CH2 4.49Å; F98-W298 HydrophobicContact CG-CE3 4.19Å; F98-W298 AromaticContact CG-CH2 3.82Å; F98-W298 HydrophobicContact CG-CH2 3.82Å; F98-W298 HydrophobicContact CG-CZ2 4.37Å; F98-W298 AromaticContact CG-CZ3 3.67Å; F98-W298 HydrophobicContact CG-CZ3 3.67Å; F98-W298 PolarHBondContact N-O 3.38Å; F98-W298 PolarHBondContact O-N 3Å; F98-W298 VanDerWaalsContact O-O 3.09Å; M253-W298 HydrophobicContact CB-CE3 4.18Å; M253-W298 HydrophobicContact CB-CH2 3.66Å; M253-W298 HydrophobicContact CB-CZ2 4.12Å; M253-W298 HydrophobicContact CB-CZ3 3.74Å; M253-W298 HydrophobicContact CE-CD2 3.99Å; M253-W298 HydrophobicContact CE-CG 4.32Å; M253-W298 HydrophobicContact CE-CH2 4.25Å; M253-W298 HydrophobicContact CE-CZ2 3.49Å; M253-W298 VanDerWaalsContact CE-CZ2 3.49Å; M253-W298 HydrophobicContact CG-CD2 3.87Å; M253-W298 HydrophobicContact CG-CE3 3.79Å; M253-W298 HydrophobicContact CG-CG 4.48Å; M253-W298 HydrophobicContact CG-CH2 4.01Å; M253-W298 HydrophobicContact CG-CZ2 4.14Å; M253-W298 HydrophobicContact CG-CZ3 3.89Å; M253-W298 WeakPolarHBondContact O-CZ3 3.35Å; L256-W298 HydrophobicContact CB-CZ3 4.05Å; L256-W298 HydrophobicContact CD1-CE3 3.86Å; L256-W298 HydrophobicContact CD1-CZ3 3.98Å; M257-W298 HydrophobicContact CG-CH2 3.53Å; M257-W298 HydrophobicContact CG-CZ3 4.17Å; M257-W298 HydrophobicContact SD-CH2 3.61Å; M257-W298 HydrophobicContact SD-CZ2 4.16Å; W298-Y306 WeakPolarHBondContact CA-O 3.39Å; W298-Y306 WeakPolarHBondContact CB-O 3.26Å; W298-W307 HydrophobicContact CB-CE3 3.89Å; W298-W307 HydrophobicContact CB-CZ3 4.08Å; W298-W307 HydrophobicContact CE3-CZ3 4.33Å
299	G	98.7	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-161.1	168.6	0	0	0	0	0	111.5	P305 Y306	G299-P305 WeakPolarHBondContact O-CA 3.39Å; G299-Y306 PolarHBondContact N-O 2.94Å; G299-Y306 VanDerWaalsContact N-O 3.07Å; G299-Y306 WeakPolarHBondContact O-CD1 3.19Å; G299-Y306 PolarHBondContact O-N 3.44Å
300	E	98.5	Very high	98.6	Very high	91 Å²	91	27 Å²	27	43%	0.425	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.8	174.7	-168	179.7	122.8	0	0	108.6	N303 V304 Y306	E300-N303 WeakPolarHBondContact OE1-CA 3.38Å; E300-V304 WeakPolarHBondContact CA-O 3.5Å; E300-Y306 VanDerWaalsContact N-CE1 3.32Å
301	E	98.3	Very high	98.6	Very high	55 Å²	55	26 Å²	26	26%	0.257	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.2	176.3	-176.8	179	130.8	0	0	108.2	V279 N303 V304 Y306 K324	V279-E301 HydrophobicContact CG2-CB 4Å; E301-N303 VanDerWaalsContact C-N 3.27Å; E301-N303 PolarHBondContact O-N 2.93Å; E301-V304 PolarHBondContact N-O 2.99Å; E301-V304 WeakPolarHBondContact O-CB 3.44Å; E301-V304 PolarHBondContact O-N 3.42Å; E301-Y306 HydrophobicContact CB-CD1 4.11Å; E301-Y306 HydrophobicContact CB-CE1 3.94Å; E301-K324 IonicContact OE2-NZ 2.98Å; E301-K324 PolarHBondContact OE2-NZ 3.29Å
302	N	96.8	Very high	98.5	Very high	135 Å²	135	26.2 Å²	26.2	72%	0.722	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.6	-178	-57.2	-44.5	0	0	0	113.6	V304	N302-V304 PolarHBondContact O-N 3.36Å
303	N	97.3	Very high	98.2	Very high	138 Å²	138	26.2 Å²	26.2	74%	0.738	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	18.4	-174.5	-48	-67.6	0	0	0	115.2	E300 E301	E300-N303 WeakPolarHBondContact OE1-CA 3.38Å; E301-N303 VanDerWaalsContact C-N 3.27Å; E301-N303 PolarHBondContact O-N 2.93Å
304	V	98.4	Very high	97.8	Very high	26 Å²	26	27.1 Å²	27.1	16%	0.158	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.8	174.6	-172.8	0	0	0	0	109.6	T52 V279 E300 E301 N302 V326	T52-V304 HydrophobicContact CG2-CG2 3.66Å; V279-V304 HydrophobicContact CB-CG1 4.06Å; V279-V304 HydrophobicContact CG1-CG1 3.82Å; V279-V304 HydrophobicContact CG2-CB 4.39Å; V279-V304 HydrophobicContact CG2-CG1 4.35Å; E300-V304 WeakPolarHBondContact CA-O 3.5Å; E301-V304 PolarHBondContact N-O 2.99Å; E301-V304 WeakPolarHBondContact O-CB 3.44Å; E301-V304 PolarHBondContact O-N 3.42Å; N302-V304 PolarHBondContact O-N 3.36Å; V304-V326 HydrophobicContact CG1-CG2 3.83Å
305	P	98.6	Very high	97.5	Very high	44 Å²	44	30.3 Å²	30.3	29%	0.286	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	136.5	173.2	-23.6	34.7	0	0	0	111.5	G299 R327	G299-P305 WeakPolarHBondContact O-CA 3.39Å; P305-R327 HydrophobicContact CB-CB 4.28Å; P305-R327 PolarHBondContact O-N 3.47Å
306	Y	98.9	Very high	97	Very high	35 Å²	35	34.3 Å²	34.3	14%	0.137	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.3	-179.7	66.7	-98.9	0	0	0	113.1	V279 W298 G299 E300 E301 L308 K324 I325	V279-Y306 HydrophobicContact CG2-CD1 3.92Å; V279-Y306 HydrophobicContact CG2-CG 4.22Å; W298-Y306 WeakPolarHBondContact CA-O 3.39Å; W298-Y306 WeakPolarHBondContact CB-O 3.26Å; G299-Y306 PolarHBondContact N-O 2.94Å; G299-Y306 VanDerWaalsContact N-O 3.07Å; G299-Y306 WeakPolarHBondContact O-CD1 3.19Å; G299-Y306 PolarHBondContact O-N 3.44Å; E300-Y306 VanDerWaalsContact N-CE1 3.32Å; E301-Y306 HydrophobicContact CB-CD1 4.11Å; E301-Y306 HydrophobicContact CB-CE1 3.94Å; Y306-L308 HydrophobicContact CE2-CB 4.2Å; Y306-K324 HydrophobicContact CD1-CD 4.06Å; Y306-K324 HydrophobicContact CD2-CB 3.84Å; Y306-K324 HydrophobicContact CD2-CD 3.82Å; Y306-K324 HydrophobicContact CD2-CG 3.69Å; Y306-K324 HydrophobicContact CE1-CD 3.99Å; Y306-K324 HydrophobicContact CE2-CD 3.76Å; Y306-K324 HydrophobicContact CE2-CG 3.9Å; Y306-K324 HydrophobicContact CG-CB 3.94Å; Y306-K324 HydrophobicContact CG-CD 3.98Å; Y306-K324 HydrophobicContact CG-CG 4.13Å; Y306-I325 CarbonylContact C-O 3.08Å; Y306-I325 WeakPolarHBondContact CA-O 3.24Å; Y306-I325 WeakPolarHBondContact CB-O 3.31Å
307	W	98.9	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137.9	158.5	-62.8	118.9	0	0	0	109.8	P249 I252 M253 L256 L295 W298 I309 K324 I325 R327 E335	P249-W307 HydrophobicContact CB-CH2 4.36Å; P249-W307 HydrophobicContact CB-CZ2 3.98Å; I252-W307 HydrophobicContact CB-CH2 3.7Å; I252-W307 HydrophobicContact CB-CZ2 4.13Å; I252-W307 HydrophobicContact CB-CZ3 4.45Å; I252-W307 HydrophobicContact CD1-CH2 4.5Å; I252-W307 HydrophobicContact CD1-CZ2 4.06Å; I252-W307 HydrophobicContact CG2-CH2 3.58Å; I252-W307 HydrophobicContact CG2-CZ2 4.07Å; I252-W307 HydrophobicContact CG2-CZ3 3.9Å; M253-W307 HydrophobicContact CG-CH2 3.74Å; M253-W307 HydrophobicContact CG-CZ3 3.85Å; L256-W307 HydrophobicContact CD1-CE3 4.44Å; L256-W307 HydrophobicContact CD1-CZ3 3.96Å; L295-W307 HydrophobicContact CD1-CB 4.19Å; L295-W307 HydrophobicContact CD1-CD2 3.93Å; L295-W307 HydrophobicContact CD1-CE3 4.04Å; L295-W307 HydrophobicContact CD1-CG 4.04Å; L295-W307 HydrophobicContact CD2-CE3 3.96Å; L295-W307 HydrophobicContact CD2-CZ3 4.4Å; L295-W307 HydrophobicContact CG-CB 4.44Å; L295-W307 HydrophobicContact CG-CE3 4.41Å; W298-W307 HydrophobicContact CB-CE3 3.89Å; W298-W307 HydrophobicContact CB-CZ3 4.08Å; W298-W307 HydrophobicContact CE3-CZ3 4.33Å; W307-I309 HydrophobicContact CB-CD1 3.89Å; W307-I309 HydrophobicContact CB-CG1 4.41Å; W307-K324 VanDerWaalsContact O-CA 3.3Å; W307-K324 WeakPolarHBondContact O-CA 3.35Å; W307-I325 HydrophobicContact CB-CG2 4.02Å; W307-I325 PolarHBondContact N-O 2.83Å; W307-I325 PolarHBondContact O-N 2.64Å; W307-R327 HydrophobicContact CD2-CB 4.02Å; W307-R327 HydrophobicContact CD2-CG 3.83Å; W307-R327 VanDerWaalsContact CE2-CD 3.47Å; W307-R327 HydrophobicContact CE3-CG 4.36Å; W307-R327 HydrophobicContact CG-CB 4.01Å; W307-R327 HydrophobicContact CG-CG 4.34Å; W307-R327 VanDerWaalsContact CH2-CD 3.47Å; W307-R327 HydrophobicContact CH2-CG 4.07Å; W307-R327 HydrophobicContact CZ2-CB 4.46Å; W307-R327 VanDerWaalsContact CZ2-CD 3.44Å; W307-R327 HydrophobicContact CZ2-CG 3.48Å; W307-R327 VanDerWaalsContact CZ2-CG 3.48Å; W307-R327 HydrophobicContact CZ3-CG 4.47Å; W307-E335 PolarHBondContact NE1-OE1 3.46Å
308	L	98.9	Very high	96.7	Very high	14 Å²	14	34.7 Å²	34.7	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.3	173.5	176.3	64.4	0	0	0	109	L296 G297 Y306 Y322	L296-L308 HydrophobicContact CB-CD2 4.36Å; L296-L308 HydrophobicContact CB-CG 4.41Å; L296-L308 PolarHBondContact N-O 3.45Å; G297-L308 PolarHBondContact O-N 3.35Å; Y306-L308 HydrophobicContact CE2-CB 4.2Å; L308-Y322 HydrophobicContact CD1-CD1 4.45Å
309	I	98.9	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.4	-173.1	-47.7	-62.9	0	0	0	110.3	V264 V293 L295 W307 Y322 F323 I325 I334	V264-I309 HydrophobicContact CG2-CD1 4.37Å; V293-I309 HydrophobicContact CB-CG2 3.54Å; V293-I309 HydrophobicContact CG1-CG2 4.32Å; V293-I309 HydrophobicContact CG2-CG2 3.39Å; L295-I309 HydrophobicContact CB-CD1 3.76Å; L295-I309 HydrophobicContact CD1-CD1 3.92Å; L295-I309 HydrophobicContact CG-CD1 3.55Å; W307-I309 HydrophobicContact CB-CD1 3.89Å; W307-I309 HydrophobicContact CB-CG1 4.41Å; I309-Y322 VanDerWaalsContact O-CA 3.27Å; I309-Y322 WeakPolarHBondContact O-CA 3.41Å; I309-F323 HydrophobicContact CB-CD1 3.8Å; I309-F323 HydrophobicContact CB-CD2 4.28Å; I309-F323 HydrophobicContact CB-CE1 3.46Å; I309-F323 VanDerWaalsContact CB-CE1 3.46Å; I309-F323 HydrophobicContact CB-CE2 3.97Å; I309-F323 HydrophobicContact CB-CG 4.21Å; I309-F323 HydrophobicContact CB-CZ 3.57Å; I309-F323 HydrophobicContact CG1-CD2 4.28Å; I309-F323 HydrophobicContact CG1-CE1 4.17Å; I309-F323 HydrophobicContact CG1-CE2 3.78Å; I309-F323 HydrophobicContact CG1-CZ 3.73Å; I309-F323 HydrophobicContact CG2-CD1 3.97Å; I309-F323 HydrophobicContact CG2-CE1 3.21Å; I309-F323 HydrophobicContact CG2-CE2 4.3Å; I309-F323 HydrophobicContact CG2-CZ 3.42Å; I309-F323 VanDerWaalsContact CG2-CZ 3.42Å; I309-F323 PolarHBondContact N-O 3.03Å; I309-F323 PolarHBondContact O-N 2.84Å; I309-I325 HydrophobicContact CD1-CG2 4.43Å; I309-I325 HydrophobicContact CG1-CG2 3.91Å; I309-I334 HydrophobicContact CD1-CD1 3.9Å; I309-I334 HydrophobicContact CG1-CD1 4.19Å
310	A	98.8	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.8	163.7	0	0	0	0	0	109.2	I113 R294 L296 Y322	I113-A310 HydrophobicContact CD1-CB 3.74Å; R294-A310 HydrophobicContact CB-CB 4.49Å; R294-A310 PolarHBondContact N-O 2.68Å; R294-A310 PolarHBondContact O-N 2.82Å; L296-A310 HydrophobicContact CD1-CB 3.81Å; L296-A310 HydrophobicContact CG-CB 4.21Å; A310-Y322 HydrophobicContact CB-CD1 4.06Å; A310-Y322 HydrophobicContact CB-CE1 3.93Å
311	N	98.2	Very high	96.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.217	C	C	.	.			trans	-93.3	165.7	173.2	-157.1	-7.3	0	0	0	110	H291 W317 G321 F323	H291-N311 PolarHBondContact NE2-OD1 3.25Å; N311-W317 HydrophobicContact CB-CE3 4.04Å; N311-W317 HydrophobicContact CB-CZ3 3.8Å; N311-W317 WeakPolarHBondContact ND2-CH2 3.4Å; N311-W317 WeakPolarHBondContact ND2-CZ3 3.27Å; N311-G321 WeakPolarHBondContact CB-O 3.35Å; N311-G321 PolarHBondContact N-O 3.02Å; N311-F323 HydrophobicContact CB-CD1 4.32Å; N311-F323 HydrophobicContact CB-CE1 4.37Å
312	S	96.6	Very high	96.5	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-110.8	31.7	177.8	53.4	0	0	0	0	111.7	R114 D115 Q116	R114-S312 CarbonylContact O-C 3.53Å; R114-S312 VanDerWaalsContact O-C 3.27Å; R114-S312 VanDerWaalsContact O-CA 3.31Å; R114-S312 WeakPolarHBondContact O-CA 3.19Å; D115-S312 CarbonylContact C-O 3.31Å; D115-S312 WeakPolarHBondContact CA-O 3.4Å; Q116-S312 PolarHBondContact N-O 2.96Å; Q116-S312 PolarHBondContact OE1-OG 2.88Å
313	W	94	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-107.6	27.3	-179	-67	-7.6	0	0	0	112.9	R60 F61 L71 F272 H291 W317	R60-W313 HydrophobicContact CG-CB 4.3Å; F61-W313 HydrophobicContact CE2-CD2 4.05Å; F61-W313 AromaticContact CE2-CE3 3.51Å; F61-W313 HydrophobicContact CE2-CE3 3.51Å; F61-W313 HydrophobicContact CE2-CH2 4.02Å; F61-W313 HydrophobicContact CE2-CZ2 4.48Å; F61-W313 AromaticContact CE2-CZ3 3.51Å; F61-W313 HydrophobicContact CE2-CZ3 3.51Å; F61-W313 AromaticContact CZ-CD2 3.67Å; F61-W313 HydrophobicContact CZ-CD2 3.67Å; F61-W313 AromaticContact CZ-CE2 3.77Å; F61-W313 AromaticContact CZ-CE3 3.63Å; F61-W313 HydrophobicContact CZ-CE3 3.63Å; F61-W313 HydrophobicContact CZ-CG 4.43Å; F61-W313 AromaticContact CZ-CH2 3.84Å; F61-W313 HydrophobicContact CZ-CH2 3.84Å; F61-W313 AromaticContact CZ-CZ2 3.87Å; F61-W313 HydrophobicContact CZ-CZ2 3.87Å; F61-W313 AromaticContact CZ-CZ3 3.73Å; F61-W313 HydrophobicContact CZ-CZ3 3.73Å; L71-W313 HydrophobicContact CD2-CH2 4.44Å; L71-W313 HydrophobicContact CD2-CZ2 4.01Å; F272-W313 AromaticContact CD1-CH2 3.97Å; F272-W313 HydrophobicContact CD1-CH2 3.97Å; F272-W313 HydrophobicContact CD1-CZ3 4.08Å; F272-W313 AromaticContact CE1-CH2 3.73Å; F272-W313 HydrophobicContact CE1-CH2 3.73Å; F272-W313 AromaticContact CE1-CZ3 3.71Å; F272-W313 HydrophobicContact CE1-CZ3 3.71Å; H291-W313 AromaticContact CD2-CZ2 3.67Å; H291-W313 AromaticContact CE1-CE2 3.73Å; H291-W313 AromaticContact CE1-CZ2 3.82Å; H291-W313 AromaticContact CE1-NE1 3.3Å; H291-W313 PolarHBondContact CE1-NE1 3.27Å; H291-W313 VanDerWaalsContact CE1-NE1 3.3Å; H291-W313 AromaticContact NE2-CE2 3.48Å; H291-W313 AromaticContact NE2-CZ2 3.51Å; H291-W313 AromaticContact NE2-NE1 3.43Å; H291-W313 PolarHBondContact NE2-NE1 3.49Å; W313-W317 HydrophobicContact CB-CB 4.21Å; W313-W317 HydrophobicContact CB-CG 4.3Å; W313-W317 AromaticContact CE3-CD1 3.93Å; W313-W317 AromaticContact CE3-CD2 3.64Å; W313-W317 HydrophobicContact CE3-CD2 3.64Å; W313-W317 AromaticContact CE3-CE2 3.45Å; W313-W317 VanDerWaalsContact CE3-CE2 3.45Å; W313-W317 HydrophobicContact CE3-CE3 4.22Å; W313-W317 AromaticContact CE3-CG 3.95Å; W313-W317 HydrophobicContact CE3-CG 3.95Å; W313-W317 HydrophobicContact CE3-CH2 4.45Å; W313-W317 AromaticContact CE3-CZ2 3.89Å; W313-W317 HydrophobicContact CE3-CZ2 3.89Å; W313-W317 AromaticContact CE3-NE1 3.63Å; W313-W317 HydrophobicContact CZ3-CD2 4.27Å; W313-W317 AromaticContact CZ3-CE2 3.61Å; W313-W317 HydrophobicContact CZ3-CH2 4.37Å; W313-W317 AromaticContact CZ3-CZ2 3.65Å; W313-W317 HydrophobicContact CZ3-CZ2 3.65Å; W313-W317 AromaticContact CZ3-NE1 3.78Å
314	N	89.6	Confident	96.7	Very high	22 Å²	22	28.4 Å²	28.4	12%	0.118	15%	0.148	C	C	.	.			trans	67	169.9	-173	81.3	38.9	0	0	0	115.1	R114 D115 D316 W317 G321	R114-N314 PolarHBondContact O-N 3.36Å; D115-N314 HydrophobicContact CB-CB 4.12Å; N314-D316 VanDerWaalsContact C-N 3.33Å; N314-D316 PolarHBondContact O-N 3.14Å; N314-D316 WeakPolarHBondContact OD1-CB 3.37Å; N314-D316 PolarHBondContact OD1-N 3.2Å; N314-W317 PolarHBondContact OD1-N 3.25Å; N314-G321 VanDerWaalsContact O-CA 3.31Å; N314-G321 WeakPolarHBondContact O-CA 3.3Å
315	S	92	Very high	96.7	Very high	69 Å²	69	27.2 Å²	27.2	48%	0.483	14%	0.14	S	C	.	.	S	Bend	trans	-78.4	-10.5	-175.5	56.6	0	0	0	0	114.8	K320 G321	S315-K320 CarbonylContact O-C 3.48Å; S315-K320 VanDerWaalsContact O-C 3.31Å; S315-K320 WeakPolarHBondContact O-CA 3.46Å; S315-G321 PolarHBondContact O-N 3.49Å
316	D	90.2	Very high	96.7	Very high	85 Å²	85	25.2 Å²	25.2	46%	0.455	13%	0.127	S	C	.	.	S	Bend	trans	-80.6	-26.8	179.4	-63.5	-29.4	0	0	0	111.6	N314	N314-D316 VanDerWaalsContact C-N 3.33Å; N314-D316 PolarHBondContact O-N 3.14Å; N314-D316 WeakPolarHBondContact OD1-CB 3.37Å; N314-D316 PolarHBondContact OD1-N 3.2Å
317	W	93.7	Very high	96.7	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.015	13%	0.129	C	C	.	.	S	Bend	trans	-74.3	147.1	174.3	-176.2	85.1	0	0	0	112.3	R60 F272 P273 Y275 N311 W313 N314 G321 F323	R60-W317 HydrophobicContact CB-CB 4.5Å; F272-W317 HydrophobicContact CD1-CZ2 4.3Å; F272-W317 AromaticContact CE1-CH2 3.76Å; F272-W317 HydrophobicContact CE1-CH2 3.76Å; F272-W317 AromaticContact CE1-CZ2 3.7Å; F272-W317 HydrophobicContact CE1-CZ2 3.7Å; F272-W317 HydrophobicContact CE2-CH2 4.1Å; F272-W317 HydrophobicContact CE2-CZ2 4.41Å; F272-W317 AromaticContact CZ-CH2 3.41Å; F272-W317 HydrophobicContact CZ-CH2 3.41Å; F272-W317 VanDerWaalsContact CZ-CH2 3.41Å; F272-W317 AromaticContact CZ-CZ2 3.78Å; F272-W317 HydrophobicContact CZ-CZ2 3.78Å; P273-W317 PolarHBondContact O-NE1 3.37Å; P273-W317 VanDerWaalsContact O-NE1 3.08Å; Y275-W317 AromaticContact CD1-CH2 3.94Å; Y275-W317 HydrophobicContact CD1-CH2 3.94Å; Y275-W317 HydrophobicContact CD1-CZ2 4.26Å; Y275-W317 HydrophobicContact CD1-CZ3 4.45Å; Y275-W317 HydrophobicContact CG-CH2 4.44Å; N311-W317 HydrophobicContact CB-CE3 4.04Å; N311-W317 HydrophobicContact CB-CZ3 3.8Å; N311-W317 WeakPolarHBondContact ND2-CH2 3.4Å; N311-W317 WeakPolarHBondContact ND2-CZ3 3.27Å; W313-W317 HydrophobicContact CB-CB 4.21Å; W313-W317 HydrophobicContact CB-CG 4.3Å; W313-W317 AromaticContact CE3-CD1 3.93Å; W313-W317 AromaticContact CE3-CD2 3.64Å; W313-W317 HydrophobicContact CE3-CD2 3.64Å; W313-W317 AromaticContact CE3-CE2 3.45Å; W313-W317 VanDerWaalsContact CE3-CE2 3.45Å; W313-W317 HydrophobicContact CE3-CE3 4.22Å; W313-W317 AromaticContact CE3-CG 3.95Å; W313-W317 HydrophobicContact CE3-CG 3.95Å; W313-W317 HydrophobicContact CE3-CH2 4.45Å; W313-W317 AromaticContact CE3-CZ2 3.89Å; W313-W317 HydrophobicContact CE3-CZ2 3.89Å; W313-W317 AromaticContact CE3-NE1 3.63Å; W313-W317 HydrophobicContact CZ3-CD2 4.27Å; W313-W317 AromaticContact CZ3-CE2 3.61Å; W313-W317 HydrophobicContact CZ3-CH2 4.37Å; W313-W317 AromaticContact CZ3-CZ2 3.65Å; W313-W317 HydrophobicContact CZ3-CZ2 3.65Å; W313-W317 AromaticContact CZ3-NE1 3.78Å; N314-W317 PolarHBondContact OD1-N 3.25Å; W317-G321 WeakPolarHBondContact O-CA 3.37Å; W317-G321 PolarHBondContact O-N 3.06Å; W317-F323 HydrophobicContact CH2-CB 4Å; W317-F323 AromaticContact CH2-CD1 3.93Å; W317-F323 HydrophobicContact CH2-CD1 3.93Å; W317-F323 HydrophobicContact CH2-CG 4.16Å; W317-F323 HydrophobicContact CZ3-CB 4.13Å; W317-F323 AromaticContact CZ3-CD1 3.89Å; W317-F323 HydrophobicContact CZ3-CD1 3.89Å; W317-F323 HydrophobicContact CZ3-CG 4.38Å
318	G	96.9	Very high	96.6	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.031	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-141.4	174.8	0	0	0	0	0	113.9	Y275 K276 K320	Y275-G318 WeakPolarHBondContact O-CA 3.33Å; K276-G318 PolarHBondContact NZ-O 2.96Å; K276-G318 CarbonylContact O-C 3.49Å; G318-K320 PolarHBondContact O-N 3.48Å
319	D	97.7	Very high	96.6	Very high	72 Å²	72	34.2 Å²	34.2	39%	0.385	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-95.1	82.4	172.7	-174.9	13.5	0	0	0	109.1	K276 G321 Y322	K276-D319 PolarHBondContact O-N 2.87Å; D319-G321 VanDerWaalsContact C-N 3.3Å; D319-G321 PolarHBondContact O-N 2.89Å; D319-Y322 PolarHBondContact N-O 2.97Å; D319-Y322 WeakPolarHBondContact O-CB 3.49Å; D319-Y322 WeakPolarHBondContact O-CD2 3.26Å; D319-Y322 PolarHBondContact O-N 2.97Å
320	K	96.5	Very high	96.6	Very high	156 Å²	156	37.1 Å²	37.1	68%	0.678	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	37.7	-178.8	-57.8	-179.8	-178.1	177	0	113.7	S315 G318 Y322	S315-K320 CarbonylContact O-C 3.48Å; S315-K320 VanDerWaalsContact O-C 3.31Å; S315-K320 WeakPolarHBondContact O-CA 3.46Å; G318-K320 PolarHBondContact O-N 3.48Å; K320-Y322 VanDerWaalsContact C-N 3.33Å; K320-Y322 HydrophobicContact CB-CD2 4.49Å; K320-Y322 VanDerWaalsContact O-CD2 3.31Å; K320-Y322 WeakPolarHBondContact O-CD2 3.07Å
321	G	96.8	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-4	-174.8	0	0	0	0	0	114.9	N311 N314 S315 W317 D319	N311-G321 WeakPolarHBondContact CB-O 3.35Å; N311-G321 PolarHBondContact N-O 3.02Å; N314-G321 VanDerWaalsContact O-CA 3.31Å; N314-G321 WeakPolarHBondContact O-CA 3.3Å; S315-G321 PolarHBondContact O-N 3.49Å; W317-G321 WeakPolarHBondContact O-CA 3.37Å; W317-G321 PolarHBondContact O-N 3.06Å; D319-G321 VanDerWaalsContact C-N 3.3Å; D319-G321 PolarHBondContact O-N 2.89Å
322	Y	98.6	Very high	96.6	Very high	27 Å²	27	39.4 Å²	39.4	11%	0.106	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	157.7	177.7	-58	-91.1	0	0	0	111.6	R101 S111 I113 L296 L308 I309 A310 D319 K320	R101-Y322 VanDerWaalsContact NH1-CE1 3.31Å; R101-Y322 PolarHBondContact NH1-OH 3.42Å; R101-Y322 VanDerWaalsContact NH1-OH 3.16Å; S111-Y322 PolarHBondContact O-OH 3.28Å; S111-Y322 VanDerWaalsContact O-OH 3.11Å; I113-Y322 HydrophobicContact CD1-CD1 4.07Å; I113-Y322 HydrophobicContact CD1-CD2 4.1Å; I113-Y322 HydrophobicContact CD1-CE1 3.65Å; I113-Y322 HydrophobicContact CD1-CE2 3.66Å; I113-Y322 HydrophobicContact CD1-CG 4.29Å; I113-Y322 VanDerWaalsContact CD1-CZ 3.41Å; I113-Y322 HydrophobicContact CG1-CD2 4.31Å; I113-Y322 HydrophobicContact CG1-CE1 4.5Å; I113-Y322 HydrophobicContact CG1-CE2 3.66Å; L296-Y322 HydrophobicContact CD1-CD1 4.17Å; L296-Y322 HydrophobicContact CD1-CE1 3.59Å; L308-Y322 HydrophobicContact CD1-CD1 4.45Å; I309-Y322 VanDerWaalsContact O-CA 3.27Å; I309-Y322 WeakPolarHBondContact O-CA 3.41Å; A310-Y322 HydrophobicContact CB-CD1 4.06Å; A310-Y322 HydrophobicContact CB-CE1 3.93Å; D319-Y322 PolarHBondContact N-O 2.97Å; D319-Y322 WeakPolarHBondContact O-CB 3.49Å; D319-Y322 WeakPolarHBondContact O-CD2 3.26Å; D319-Y322 PolarHBondContact O-N 2.97Å; K320-Y322 VanDerWaalsContact C-N 3.33Å; K320-Y322 HydrophobicContact CB-CD2 4.49Å; K320-Y322 VanDerWaalsContact O-CD2 3.31Å; K320-Y322 WeakPolarHBondContact O-CD2 3.07Å
323	F	98.8	Very high	96.7	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.9	163.7	71.5	-82.6	0	0	0	111.3	F266 F272 Y275 V293 I309 N311 W317 I325	F266-F323 AromaticContact CE1-CZ 3.97Å; F266-F323 HydrophobicContact CE1-CZ 3.97Å; F266-F323 HydrophobicContact CZ-CE2 4.43Å; F266-F323 AromaticContact CZ-CZ 3.88Å; F266-F323 HydrophobicContact CZ-CZ 3.88Å; F272-F323 HydrophobicContact CE2-CD1 4.45Å; F272-F323 AromaticContact CE2-CD2 3.67Å; F272-F323 HydrophobicContact CE2-CD2 3.67Å; F272-F323 AromaticContact CE2-CE2 3.76Å; F272-F323 HydrophobicContact CE2-CE2 3.76Å; F272-F323 HydrophobicContact CE2-CG 4.02Å; F272-F323 HydrophobicContact CE2-CZ 4.18Å; F272-F323 AromaticContact CZ-CD1 3.94Å; F272-F323 HydrophobicContact CZ-CD1 3.94Å; F272-F323 AromaticContact CZ-CD2 3.95Å; F272-F323 HydrophobicContact CZ-CD2 3.95Å; F272-F323 AromaticContact CZ-CE1 3.84Å; F272-F323 HydrophobicContact CZ-CE1 3.84Å; F272-F323 AromaticContact CZ-CE2 3.86Å; F272-F323 HydrophobicContact CZ-CE2 3.86Å; F272-F323 AromaticContact CZ-CG 3.97Å; F272-F323 HydrophobicContact CZ-CG 3.97Å; F272-F323 AromaticContact CZ-CZ 3.79Å; F272-F323 HydrophobicContact CZ-CZ 3.79Å; Y275-F323 HydrophobicContact CD1-CB 3.66Å; Y275-F323 HydrophobicContact CD2-CB 4.49Å; Y275-F323 HydrophobicContact CE1-CB 3.3Å; Y275-F323 HydrophobicContact CE2-CB 4.17Å; Y275-F323 HydrophobicContact CG-CB 4.26Å; V293-F323 HydrophobicContact CG1-CE1 4.22Å; V293-F323 HydrophobicContact CG2-CZ 4.27Å; I309-F323 HydrophobicContact CB-CD1 3.8Å; I309-F323 HydrophobicContact CB-CD2 4.28Å; I309-F323 HydrophobicContact CB-CE1 3.46Å; I309-F323 VanDerWaalsContact CB-CE1 3.46Å; I309-F323 HydrophobicContact CB-CE2 3.97Å; I309-F323 HydrophobicContact CB-CG 4.21Å; I309-F323 HydrophobicContact CB-CZ 3.57Å; I309-F323 HydrophobicContact CG1-CD2 4.28Å; I309-F323 HydrophobicContact CG1-CE1 4.17Å; I309-F323 HydrophobicContact CG1-CE2 3.78Å; I309-F323 HydrophobicContact CG1-CZ 3.73Å; I309-F323 HydrophobicContact CG2-CD1 3.97Å; I309-F323 HydrophobicContact CG2-CE1 3.21Å; I309-F323 HydrophobicContact CG2-CE2 4.3Å; I309-F323 HydrophobicContact CG2-CZ 3.42Å; I309-F323 VanDerWaalsContact CG2-CZ 3.42Å; I309-F323 PolarHBondContact N-O 3.03Å; I309-F323 PolarHBondContact O-N 2.84Å; N311-F323 HydrophobicContact CB-CD1 4.32Å; N311-F323 HydrophobicContact CB-CE1 4.37Å; W317-F323 HydrophobicContact CH2-CB 4Å; W317-F323 AromaticContact CH2-CD1 3.93Å; W317-F323 HydrophobicContact CH2-CD1 3.93Å; W317-F323 HydrophobicContact CH2-CG 4.16Å; W317-F323 HydrophobicContact CZ3-CB 4.13Å; W317-F323 AromaticContact CZ3-CD1 3.89Å; W317-F323 HydrophobicContact CZ3-CD1 3.89Å; W317-F323 HydrophobicContact CZ3-CG 4.38Å; F323-I325 HydrophobicContact CD2-CB 4.23Å; F323-I325 HydrophobicContact CD2-CG2 4.43Å; F323-I325 HydrophobicContact CE2-CB 4Å; F323-I325 HydrophobicContact CE2-CG2 3.92Å
324	K	98.9	Very high	96.9	Very high	35 Å²	35	40.3 Å²	40.3	15%	0.152	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.9	172.1	-56.7	173.7	-171	179.2	0	108.2	Y275 G278 V279 Y280 E301 Y306 W307	Y275-K324 PolarHBondContact OH-N 2.98Å; G278-K324 WeakPolarHBondContact O-CB 3.36Å; V279-K324 HydrophobicContact CG2-CB 4.35Å; Y280-K324 WeakPolarHBondContact CB-O 3.23Å; Y280-K324 PolarHBondContact N-O 3.08Å; E301-K324 IonicContact OE2-NZ 2.98Å; E301-K324 PolarHBondContact OE2-NZ 3.29Å; Y306-K324 HydrophobicContact CD1-CD 4.06Å; Y306-K324 HydrophobicContact CD2-CB 3.84Å; Y306-K324 HydrophobicContact CD2-CD 3.82Å; Y306-K324 HydrophobicContact CD2-CG 3.69Å; Y306-K324 HydrophobicContact CE1-CD 3.99Å; Y306-K324 HydrophobicContact CE2-CD 3.76Å; Y306-K324 HydrophobicContact CE2-CG 3.9Å; Y306-K324 HydrophobicContact CG-CB 3.94Å; Y306-K324 HydrophobicContact CG-CD 3.98Å; Y306-K324 HydrophobicContact CG-CG 4.13Å; W307-K324 VanDerWaalsContact O-CA 3.3Å; W307-K324 WeakPolarHBondContact O-CA 3.35Å
325	I	98.9	Very high	97.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.8	178.3	-179.2	168.1	0	0	0	109.4	F266 Y280 Y306 W307 I309 F323 R327 E331 C332 I334	F266-I325 HydrophobicContact CD2-CD1 4.47Å; Y280-I325 HydrophobicContact CD1-CB 4.43Å; Y280-I325 HydrophobicContact CD1-CD1 3.87Å; Y280-I325 HydrophobicContact CD1-CG1 3.94Å; Y280-I325 HydrophobicContact CE1-CD1 4.29Å; Y306-I325 CarbonylContact C-O 3.08Å; Y306-I325 WeakPolarHBondContact CA-O 3.24Å; Y306-I325 WeakPolarHBondContact CB-O 3.31Å; W307-I325 HydrophobicContact CB-CG2 4.02Å; W307-I325 PolarHBondContact N-O 2.83Å; W307-I325 PolarHBondContact O-N 2.64Å; I309-I325 HydrophobicContact CD1-CG2 4.43Å; I309-I325 HydrophobicContact CG1-CG2 3.91Å; F323-I325 HydrophobicContact CD2-CB 4.23Å; F323-I325 HydrophobicContact CD2-CG2 4.43Å; F323-I325 HydrophobicContact CE2-CB 4Å; F323-I325 HydrophobicContact CE2-CG2 3.92Å; I325-R327 PolarHBondContact O-N 3.24Å; I325-E331 HydrophobicContact CD1-CB 4.21Å; I325-E331 HydrophobicContact CD1-CG 3.97Å; I325-E331 HydrophobicContact CG1-CB 3.98Å; I325-E331 HydrophobicContact CG1-CG 3.78Å; I325-C332 HydrophobicContact CD1-CB 4.36Å; I325-I334 HydrophobicContact CD1-CB 4.42Å; I325-I334 HydrophobicContact CD1-CD1 4.13Å; I325-I334 HydrophobicContact CD1-CG2 4.27Å; I325-I334 HydrophobicContact CG2-CD1 3.55Å; I325-I334 HydrophobicContact CG2-CG2 4.47Å
326	V	98.8	Very high	97.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	130.9	-174.8	171.8	0	0	0	0	111.9	V279 Y280 Q281 V304 K329 E331	V279-V326 HydrophobicContact CG1-CB 4.4Å; V279-V326 HydrophobicContact CG1-CG2 3.58Å; Y280-V326 PolarHBondContact O-N 2.88Å; Q281-V326 HydrophobicContact CG-CB 4.21Å; Q281-V326 HydrophobicContact CG-CG2 3.22Å; V304-V326 HydrophobicContact CG1-CG2 3.83Å; V326-K329 HydrophobicContact CG1-CB 4.2Å; V326-K329 HydrophobicContact CG1-CD 3.82Å; V326-K329 HydrophobicContact CG1-CG 3.93Å; V326-E331 HydrophobicContact CB-CB 4.26Å; V326-E331 HydrophobicContact CB-CG 4.49Å
327	R	98.6	Very high	97.9	Very high	46 Å²	46	35.1 Å²	35.1	17%	0.174	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	145.5	176.9	173	169	73.3	79.9	2	111.6	P249 M253 P305 W307 I325	P249-R327 HydrophobicContact CB-CG 4.43Å; M253-R327 PolarHBondContact SD-NH1 2.97Å; P305-R327 HydrophobicContact CB-CB 4.28Å; P305-R327 PolarHBondContact O-N 3.47Å; W307-R327 HydrophobicContact CD2-CB 4.02Å; W307-R327 HydrophobicContact CD2-CG 3.83Å; W307-R327 VanDerWaalsContact CE2-CD 3.47Å; W307-R327 HydrophobicContact CE3-CG 4.36Å; W307-R327 HydrophobicContact CG-CB 4.01Å; W307-R327 HydrophobicContact CG-CG 4.34Å; W307-R327 VanDerWaalsContact CH2-CD 3.47Å; W307-R327 HydrophobicContact CH2-CG 4.07Å; W307-R327 HydrophobicContact CZ2-CB 4.46Å; W307-R327 VanDerWaalsContact CZ2-CD 3.44Å; W307-R327 HydrophobicContact CZ2-CG 3.48Å; W307-R327 VanDerWaalsContact CZ2-CG 3.48Å; W307-R327 HydrophobicContact CZ3-CG 4.47Å; I325-R327 PolarHBondContact O-N 3.24Å
328	G	97.8	Very high	98.2	Very high	46 Å²	46	35 Å²	35	47%	0.474	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	10.6	173.9	0	0	0	0	0	114.9	E335	G328-E335 WeakPolarHBondContact CA-OE1 3.48Å; G328-E335 PolarHBondContact N-OE1 3.38Å
329	K	98.2	Very high	98.2	Very high	146 Å²	146	34.8 Å²	34.8	64%	0.635	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.2	3.3	177.8	-62.1	-167.8	-173.6	174.3	0	113.1	V326 E331	V326-K329 HydrophobicContact CG1-CB 4.2Å; V326-K329 HydrophobicContact CG1-CD 3.82Å; V326-K329 HydrophobicContact CG1-CG 3.93Å; K329-E331 PolarHBondContact O-N 2.74Å
330	N	98.5	Very high	98.3	Very high	61 Å²	61	31.4 Å²	31.4	33%	0.326	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	43	-169.6	-163.5	23.7	0	0	0	112.1	C332 G333 I334 E335 S336	N330-C332 PolarHBondContact O-N 2.69Å; N330-G333 PolarHBondContact O-N 2.9Å; N330-G333 VanDerWaalsContact OD1-CA 3.26Å; N330-G333 WeakPolarHBondContact OD1-CA 3.4Å; N330-G333 PolarHBondContact OD1-O 2.93Å; N330-G333 VanDerWaalsContact OD1-O 3.11Å; N330-I334 PolarHBondContact OD1-N 3.46Å; N330-E335 VanDerWaalsContact CA-OE2 3.24Å; N330-E335 WeakPolarHBondContact CA-OE2 3.46Å; N330-E335 HydrophobicContact CB-CB 4.31Å; N330-E335 PolarHBondContact N-OE2 2.94Å; N330-E335 WeakPolarHBondContact OD1-CA 3.43Å; N330-E335 WeakPolarHBondContact OD1-CB 3.49Å; N330-E335 PolarHBondContact OD1-N 3.04Å; N330-S336 PolarHBondContact ND2-OG 2.87Å; N330-S336 PolarHBondContact OD1-N 3.08Å; N330-S336 PolarHBondContact OD1-OG 3.03Å; N330-S336 VanDerWaalsContact OD1-OG 3.1Å
331	E	98.7	Very high	98.4	Very high	37 Å²	37	24 Å²	24	17%	0.173	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-57.4	124.7	-176.4	-178.7	63.1	-157.4	0	0	109.4	Q281 H282 I325 V326 K329 G333 I334	Q281-E331 WeakPolarHBondContact CA-OE1 3.41Å; H282-E331 PolarHBondContact N-OE1 2.98Å; I325-E331 HydrophobicContact CD1-CB 4.21Å; I325-E331 HydrophobicContact CD1-CG 3.97Å; I325-E331 HydrophobicContact CG1-CB 3.98Å; I325-E331 HydrophobicContact CG1-CG 3.78Å; V326-E331 HydrophobicContact CB-CB 4.26Å; V326-E331 HydrophobicContact CB-CG 4.49Å; K329-E331 PolarHBondContact O-N 2.74Å; E331-G333 PolarHBondContact O-N 3.31Å; E331-G333 VanDerWaalsContact O-N 3.12Å; E331-I334 WeakPolarHBondContact O-CG2 3.18Å; E331-I334 PolarHBondContact O-N 2.97Å
332	C	98.4	Very high	98.4	Very high	12 Å²	12	25.3 Å²	25.3	8%	0.081	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	54.4	25.9	-174.9	-57.5	0	0	0	0	114	F266 E267 Y269 I325 N330 I334	F266-C332 CarbonylContact C-O 3.45Å; F266-C332 WeakPolarHBondContact CA-O 3.44Å; F266-C332 HydrophobicContact CB-CB 4.35Å; F266-C332 WeakPolarHBondContact CB-O 3.29Å; F266-C332 HydrophobicContact CD2-CB 4.05Å; E267-C332 HydrophobicContact CB-CB 4.31Å; E267-C332 PolarHBondContact N-O 3.48Å; E267-C332 WeakPolarHBondContact O-CB 3.48Å; Y269-C332 HydrophobicContact CE2-CB 4.34Å; I325-C332 HydrophobicContact CD1-CB 4.36Å; N330-C332 PolarHBondContact O-N 2.69Å; C332-I334 VanDerWaalsContact C-N 3.28Å; C332-I334 PolarHBondContact O-N 3.16Å
333	G	98.4	Very high	98.4	Very high	21 Å²	21	24.2 Å²	24.2	22%	0.216	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	77.2	4.2	178.4	0	0	0	0	0	115.5	N330 E331 E335 S336	N330-G333 PolarHBondContact O-N 2.9Å; N330-G333 VanDerWaalsContact OD1-CA 3.26Å; N330-G333 WeakPolarHBondContact OD1-CA 3.4Å; N330-G333 PolarHBondContact OD1-O 2.93Å; N330-G333 VanDerWaalsContact OD1-O 3.11Å; E331-G333 PolarHBondContact O-N 3.31Å; E331-G333 VanDerWaalsContact O-N 3.12Å; G333-E335 PolarHBondContact O-N 3.44Å; G333-S336 WeakPolarHBondContact O-CB 3.23Å; G333-S336 PolarHBondContact O-N 3.34Å; G333-S336 PolarHBondContact O-OG 3.37Å
334	I	98.8	Very high	98.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.6	-169.1	-159.7	166.4	0	0	0	115.7	V264 D265 F266 I309 I325 N330 E331 C332	V264-I334 HydrophobicContact CB-CG1 4.04Å; V264-I334 HydrophobicContact CG2-CD1 3.89Å; V264-I334 HydrophobicContact CG2-CG1 3.62Å; D265-I334 WeakPolarHBondContact O-CA 3.44Å; F266-I334 HydrophobicContact CB-CB 3.81Å; F266-I334 HydrophobicContact CB-CD1 4.3Å; F266-I334 HydrophobicContact CB-CG1 3.96Å; F266-I334 HydrophobicContact CD1-CD1 4.5Å; F266-I334 HydrophobicContact CG-CD1 4.41Å; I309-I334 HydrophobicContact CD1-CD1 3.9Å; I309-I334 HydrophobicContact CG1-CD1 4.19Å; I325-I334 HydrophobicContact CD1-CB 4.42Å; I325-I334 HydrophobicContact CD1-CD1 4.13Å; I325-I334 HydrophobicContact CD1-CG2 4.27Å; I325-I334 HydrophobicContact CG2-CD1 3.55Å; I325-I334 HydrophobicContact CG2-CG2 4.47Å; N330-I334 PolarHBondContact OD1-N 3.46Å; E331-I334 WeakPolarHBondContact O-CG2 3.18Å; E331-I334 PolarHBondContact O-N 2.97Å; C332-I334 VanDerWaalsContact C-N 3.28Å; C332-I334 PolarHBondContact O-N 3.16Å
335	E	98.4	Very high	98.3	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.028	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.6	179	-58.3	172.8	160.9	0	0	111.9	S247 I252 W307 G328 N330 G333	S247-E335 WeakPolarHBondContact CA-O 3.45Å; S247-E335 WeakPolarHBondContact CB-O 3.5Å; I252-E335 HydrophobicContact CD1-CB 4.02Å; I252-E335 HydrophobicContact CD1-CG 4.16Å; W307-E335 PolarHBondContact NE1-OE1 3.46Å; G328-E335 WeakPolarHBondContact CA-OE1 3.48Å; G328-E335 PolarHBondContact N-OE1 3.38Å; N330-E335 VanDerWaalsContact CA-OE2 3.24Å; N330-E335 WeakPolarHBondContact CA-OE2 3.46Å; N330-E335 HydrophobicContact CB-CB 4.31Å; N330-E335 PolarHBondContact N-OE2 2.94Å; N330-E335 WeakPolarHBondContact OD1-CA 3.43Å; N330-E335 WeakPolarHBondContact OD1-CB 3.49Å; N330-E335 PolarHBondContact OD1-N 3.04Å; G333-E335 PolarHBondContact O-N 3.44Å
336	S	97.4	Very high	97.8	Very high	46 Å²	46	34.6 Å²	34.6	32%	0.322	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-41	-170.2	-49	0	0	0	0	113.2	R244 N330 G333	R244-S336 PolarHBondContact NH1-O 3.48Å; N330-S336 PolarHBondContact ND2-OG 2.87Å; N330-S336 PolarHBondContact OD1-N 3.08Å; N330-S336 PolarHBondContact OD1-OG 3.03Å; N330-S336 VanDerWaalsContact OD1-OG 3.1Å; G333-S336 WeakPolarHBondContact O-CB 3.23Å; G333-S336 PolarHBondContact O-N 3.34Å; G333-S336 PolarHBondContact O-OG 3.37Å
337	D	97.8	Very high	96.7	Very high	16 Å²	16	44.1 Å²	44.1	9%	0.086	23%	0.234	C	C	.	.			trans	-125.2	91.3	179.7	-165.8	17.7	0	0	0	110.3	R244 V264 D265 N339	R244-D337 VanDerWaalsContact CD-OD1 3.26Å; R244-D337 WeakPolarHBondContact CD-OD1 3.44Å; V264-D337 WeakPolarHBondContact CA-O 3.31Å; D265-D337 PolarHBondContact N-O 3.44Å; D265-D337 VanDerWaalsContact OD1-CB 3.28Å; D265-D337 WeakPolarHBondContact OD1-CB 3.46Å; D337-N339 PolarHBondContact OD1-ND2 3.49Å; D337-N339 PolarHBondContact OD1-OD1 3.35Å; D337-N339 PolarHBondContact OD2-ND2 3.41Å
338	V	98.6	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	99.8	-175.8	-173.6	0	0	0	0	107.8	R244 I245 I252 V262 E263 V264	R244-V338 CarbonylContact C-O 3.48Å; R244-V338 VanDerWaalsContact CA-O 3.27Å; R244-V338 WeakPolarHBondContact CA-O 3.29Å; R244-V338 WeakPolarHBondContact CG-O 3.06Å; I245-V338 HydrophobicContact CB-CB 4.08Å; I245-V338 HydrophobicContact CB-CG1 3.98Å; I245-V338 HydrophobicContact CD1-CG1 4.01Å; I245-V338 WeakPolarHBondContact CD1-O 3.43Å; I245-V338 HydrophobicContact CG1-CG1 4.31Å; I245-V338 PolarHBondContact N-O 3.09Å; I252-V338 HydrophobicContact CD1-CG2 3.85Å; I252-V338 HydrophobicContact CG1-CG1 4.36Å; I252-V338 HydrophobicContact CG1-CG2 4.2Å; I252-V338 HydrophobicContact CG2-CG1 4.41Å; V262-V338 HydrophobicContact CB-CG1 4.1Å; V262-V338 HydrophobicContact CG2-CG1 3.59Å; E263-V338 CarbonylContact O-C 3.4Å; E263-V338 WeakPolarHBondContact O-CA 3.26Å; V264-V338 HydrophobicContact CG1-CB 4.22Å; V264-V338 HydrophobicContact CG1-CG1 3.86Å; V264-V338 HydrophobicContact CG1-CG2 3.95Å
339	N	98.8	Very high	96.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.8	-171.1	-67.6	-76.6	0	0	0	111.8	L82 W172 E263 D337	L82-N339 HydrophobicContact CD1-CB 4.24Å; L82-N339 VanDerWaalsContact CD1-OD1 3.28Å; L82-N339 WeakPolarHBondContact CD1-OD1 3.33Å; W172-N339 HydrophobicContact CG-CB 4.29Å; W172-N339 VanDerWaalsContact CZ2-O 3.3Å; W172-N339 WeakPolarHBondContact CZ2-O 3.28Å; W172-N339 VanDerWaalsContact NE1-CB 3.32Å; E263-N339 HydrophobicContact CB-CB 4.41Å; E263-N339 PolarHBondContact N-O 2.98Å; E263-N339 PolarHBondContact O-N 2.64Å; D337-N339 PolarHBondContact OD1-ND2 3.49Å; D337-N339 PolarHBondContact OD1-OD1 3.35Å; D337-N339 PolarHBondContact OD2-ND2 3.41Å
340	A	98.7	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	178.7	-178.3	0	0	0	0	0	113.2	V242 Y243 I245 V262	V242-A340 VanDerWaalsContact CA-O 3.31Å; V242-A340 WeakPolarHBondContact CA-O 3.28Å; Y243-A340 HydrophobicContact CD2-CB 4.2Å; Y243-A340 HydrophobicContact CE2-CB 3.66Å; Y243-A340 PolarHBondContact N-O 3.5Å; Y243-A340 PolarHBondContact O-N 3.34Å; Y243-A340 VanDerWaalsContact O-O 3.08Å; I245-A340 HydrophobicContact CD1-CB 3.32Å; V262-A340 HydrophobicContact CB-CB 4.47Å; V262-A340 HydrophobicContact CG1-CB 3.79Å
341	G	98.2	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	168.2	176	0	0	0	0	0	113.6	R134 K241	R134-G341 WeakPolarHBondContact CD-O 3.49Å; R134-G341 PolarHBondContact NH1-O 3.49Å; K241-G341 CarbonylContact O-C 3.59Å; K241-G341 WeakPolarHBondContact O-CA 3.47Å
342	I	98.3	Very high	96.2	Very high	28 Å²	28	36.9 Å²	36.9	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.8	171.9	-57.9	-54.2	0	0	0	108.1	E240 K241 Y243 N259	E240-I342 WeakPolarHBondContact CB-O 3.32Å; E240-I342 PolarHBondContact N-O 3.02Å; K241-I342 PolarHBondContact N-O 3.08Å; K241-I342 PolarHBondContact O-N 3.35Å; Y243-I342 HydrophobicContact CE1-CG1 4.13Å; Y243-I342 WeakPolarHBondContact OH-CD1 3.42Å; N259-I342 HydrophobicContact CB-CD1 4.42Å
343	P	98.6	Very high	96	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	145.4	-179.2	29.9	-34.7	0	0	0	112.2	R134 I135 K138 W175 I345	R134-P343 HydrophobicContact CB-CG 4.42Å; R134-P343 WeakPolarHBondContact O-CG 3.48Å; I135-P343 HydrophobicContact CB-CB 4.4Å; I135-P343 HydrophobicContact CG1-CB 3.53Å; I135-P343 HydrophobicContact CG1-CG 4.24Å; K138-P343 HydrophobicContact CB-CG 3.6Å; K138-P343 HydrophobicContact CG-CG 3.91Å; W175-P343 VanDerWaalsContact CH2-CA 3.5Å; W175-P343 HydrophobicContact CH2-CB 3.69Å; W175-P343 HydrophobicContact CZ2-CB 3.73Å; P343-I345 HydrophobicContact CB-CD1 4.25Å; P343-I345 HydrophobicContact CG-CD1 4.07Å; P343-I345 PolarHBondContact O-N 3.05Å
344	K	98.2	Very high	95.9	Very high	131 Å²	131	39.8 Å²	39.8	57%	0.57	20%	0.202	S	C	*	.			trans	-80.5	108.7	167.2	-172.9	177.4	-176.9	177.5	0	109.3	Y238 E240	Y238-K344 WeakPolarHBondContact O-CB 3.3Å; Y238-K344 PolarHBondContact O-N 3.41Å; E240-K344 HydrophobicContact CB-CB 4.29Å
345	I	95.7	Very high	95.6	Very high	52 Å²	52	42.8 Å²	42.8	27%	0.267	22%	0.218	S	C	.	.			trans	-79.1	129.8	-178.7	-60.5	-51.9	0	0	0	111.1	I135 K138 P343	I135-I345 HydrophobicContact CG2-CD1 4.29Å; K138-I345 HydrophobicContact CB-CD1 4.05Å; K138-I345 HydrophobicContact CB-CG1 4.28Å; K138-I345 HydrophobicContact CG-CD1 3.98Å; K138-I345 HydrophobicContact CG-CG1 3.67Å; P343-I345 HydrophobicContact CB-CD1 4.25Å; P343-I345 HydrophobicContact CG-CD1 4.07Å; P343-I345 PolarHBondContact O-N 3.05Å
346	K	88.5	Confident	95.4	Very high	72 Å²	72	45.8 Å²	45.8	31%	0.313	23%	0.233	S	C	.	.			trans	-71	128.6	170.5	-60.5	-179.1	-176.3	178.9	0	108.6	H143 K234 D235 K236 W237	H143-K346 PolarHBondContact NE2-O 3.43Å; K234-K346 PolarHBondContact O-NZ 3.38Å; D235-K346 PolarHBondContact O-NZ 3.29Å; D235-K346 VanDerWaalsContact O-NZ 3.13Å; K236-K346 WeakPolarHBondContact O-CE 3.45Å; K236-K346 PolarHBondContact O-NZ 3.01Å; W237-K346 HydrophobicContact CD2-CD 4.45Å; W237-K346 HydrophobicContact CE3-CD 4.36Å; W237-K346 HydrophobicContact CE3-CG 4.37Å; W237-K346 HydrophobicContact CH2-CB 4.44Å; W237-K346 HydrophobicContact CH2-CD 3.9Å; W237-K346 HydrophobicContact CH2-CG 4.17Å; W237-K346 HydrophobicContact CZ2-CD 4Å; W237-K346 HydrophobicContact CZ3-CB 4.44Å; W237-K346 HydrophobicContact CZ3-CD 4.1Å; W237-K346 HydrophobicContact CZ3-CG 3.98Å
347	N	76.1	Confident	95.2	Very high	201 Å²	201	45.8 Å²	45.8	100%	1.075	23%	0.225	S	C	*	.			trans	-62.1	0	179.3	-77.2	-21.5	0	0	0	112.4	K142	K142-N347 PolarHBondContact NZ-OXT 3.09Å

Retrieved 347 of 347 residues in 79.4 ms (Link to these results)

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