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Hypoxanthine-guanine phosphoribosyltransferase

Converts guanine to guanosine monophosphate, and hypoxanthine to inosine monophosphate. Transfers the 5-phosphoribosyl group from 5-phosphoribosylpyrophosphate onto the purine. Plays a central role in the generation of purine nucleotides through the purine salvage pathway (By similarity).

AlphaFold DB , UniProt , Accession P09383, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene HGPRT, Length 284 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	39	Very low	39.3	Very low	227 Å²	227	142.6 Å²	142.6	100%	1.118	83%	0.833	S	S	*	*				0	8.1	0	-88.5	-154.3	157.8	0	0	114.5
2	L	36.3	Very low	41.1	Very low	172 Å²	172	139.8 Å²	139.8	90%	0.901	82%	0.819	S	S	*	*			trans	-103.7	8.5	-176.2	-97.1	114.4	0	0	0	115.9
3	T	37.8	Very low	42.5	Very low	148 Å²	148	139.1 Å²	139.1	91%	0.908	82%	0.817	S	S	*	*	S	Bend	trans	-101.8	10.1	-177.2	40	0	0	0	0	115.1
4	S	36.6	Very low	44.8	Very low	93 Å²	93	134.8 Å²	134.8	65%	0.65	79%	0.788	S	S	*	*	S	Bend	trans	-120.1	21.1	-170.9	68.3	0	0	0	0	116.6
5	L	37.4	Very low	47.1	Very low	153 Å²	153	131.1 Å²	131.1	80%	0.801	77%	0.769	S	S	*	*			trans	-119.3	13.5	-174.5	-92.2	145.3	0	0	0	116
6	I	39	Very low	48.6	Very low	167 Å²	167	131 Å²	131	86%	0.856	76%	0.763	S	S	*	*			trans	-116.5	61.9	174.8	-45.3	177.7	0	0	0	110.3
7	T	34.9	Very low	50.1	Low	139 Å²	139	128.5 Å²	128.5	85%	0.853	75%	0.754	S	S	*	*			trans	-152.7	72.3	161.1	46.3	0	0	0	0	110.6
8	S	40.6	Very low	51.7	Low	100 Å²	100	126.4 Å²	126.4	70%	0.699	74%	0.736	S	S	*	*			trans	-138.3	91.2	156.7	61.7	0	0	0	0	109.4	T10	S8-T10 PolarHBondContact O-N 2.62Å
9	S	41.7	Very low	53	Low	127 Å²	127	123.6 Å²	123.6	89%	0.888	72%	0.717	S	S	*	*			trans	-66	93.6	168.7	-80.9	0	0	0	0	109
10	T	43.4	Very low	54.1	Low	116 Å²	116	125 Å²	125	71%	0.712	71%	0.711	S	S	*	*			trans	-99.4	97.5	163.2	-19.5	0	0	0	0	106.3	S8 V12	S8-T10 PolarHBondContact O-N 2.62Å; T10-V12 PolarHBondContact O-N 3.38Å
11	T	45.5	Very low	55.2	Low	127 Å²	127	126.6 Å²	126.6	78%	0.779	71%	0.707	S	S	*	*			trans	-71.4	96.9	173.7	-46.9	0	0	0	0	107.7	T13	T11-T13 PolarHBondContact O-N 3.24Å
12	V	61.1	Low	57.2	Low	109 Å²	109	120.1 Å²	120.1	66%	0.661	68%	0.676	S	S	*	*			trans	-74.4	113.2	172.8	179	0	0	0	0	107.8	T10 L14	T10-V12 PolarHBondContact O-N 3.38Å; V12-L14 HydrophobicContact CG1-CD2 4.17Å; V12-L14 HydrophobicContact CG1-CG 4.44Å; V12-L14 PolarHBondContact O-N 2.89Å
13	T	59.3	Low	58.9	Low	130 Å²	130	116.5 Å²	116.5	80%	0.798	66%	0.656	S	S	*	*			trans	-79.8	109.8	169.6	42.2	0	0	0	0	108.9	T11	T11-T13 PolarHBondContact O-N 3.24Å
14	L	75.2	Confident	60.8	Low	79 Å²	79	115 Å²	115	41%	0.414	64%	0.643	S	S	.	*			trans	-84	143.3	173.3	-66.7	170.3	0	0	0	110.1	V12 Q18 I19 I22	V12-L14 HydrophobicContact CG1-CD2 4.17Å; V12-L14 HydrophobicContact CG1-CG 4.44Å; V12-L14 PolarHBondContact O-N 2.89Å; L14-Q18 HydrophobicContact CB-CB 4.25Å; L14-Q18 HydrophobicContact CD2-CB 4.11Å; L14-I19 HydrophobicContact CB-CD1 4.38Å; L14-I19 HydrophobicContact CB-CG1 3.9Å; L14-I19 HydrophobicContact CD1-CG1 4.46Å; L14-I22 HydrophobicContact CD1-CD1 3.79Å
15	T	78.1	Confident	62.8	Low	80 Å²	80	115.1 Å²	115.1	49%	0.491	64%	0.635	S	S	.	*			trans	-71	155.6	169.3	63.1	0	0	0	0	110.6	S17 Q18 I19	T15-S17 PolarHBondContact O-N 3.07Å; T15-Q18 PolarHBondContact O-N 3.3Å; T15-Q18 WeakPolarHBondContact OG1-CG 3.4Å; T15-Q18 PolarHBondContact OG1-N 3.09Å; T15-Q18 PolarHBondContact OG1-OE1 3.21Å; T15-I19 PolarHBondContact O-N 3.42Å
16	L	72	Confident	64.7	Low	129 Å²	129	110 Å²	110	68%	0.675	62%	0.615	S	S	*	*	H	α-helix	trans	-51.1	-42.2	175.2	-84.1	156.7	0	0	0	111.9	Q18 I19 Y20	L16-Q18 PolarHBondContact O-N 3.4Å; L16-I19 WeakPolarHBondContact O-CB 3.32Å; L16-I19 PolarHBondContact O-N 2.68Å; L16-Y20 HydrophobicContact CD2-CE2 4.29Å; L16-Y20 WeakPolarHBondContact O-CD2 2.82Å; L16-Y20 PolarHBondContact O-N 3.36Å
17	S	74.5	Confident	66.6	Low	89 Å²	89	105.3 Å²	105.3	62%	0.622	60%	0.596	S	S	*	*	H	α-helix	trans	-62.1	-40.1	177.7	175.8	0	0	0	0	113	T15 I19 Y20 Y21	T15-S17 PolarHBondContact O-N 3.07Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-Y20 PolarHBondContact O-N 3.01Å; S17-Y21 WeakPolarHBondContact O-CB 3.49Å; S17-Y21 PolarHBondContact O-N 3.22Å
18	Q	78.6	Confident	68.5	Low	90 Å²	90	100.7 Å²	100.7	42%	0.421	58%	0.576	S	S	.	*	H	α-helix	trans	-67.6	-35.9	175.5	-72.2	169	-48.1	0	0	112	L14 T15 L16 Y21 I22	L14-Q18 HydrophobicContact CB-CB 4.25Å; L14-Q18 HydrophobicContact CD2-CB 4.11Å; T15-Q18 PolarHBondContact O-N 3.3Å; T15-Q18 WeakPolarHBondContact OG1-CG 3.4Å; T15-Q18 PolarHBondContact OG1-N 3.09Å; T15-Q18 PolarHBondContact OG1-OE1 3.21Å; L16-Q18 PolarHBondContact O-N 3.4Å; Q18-Y21 PolarHBondContact O-N 2.84Å; Q18-I22 WeakPolarHBondContact O-CD1 3.33Å; Q18-I22 VanDerWaalsContact O-CG1 3.25Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 2.97Å
19	I	77	Confident	70.2	Confident	73 Å²	73	103.2 Å²	103.2	37%	0.374	58%	0.575	S	S	.	*	H	α-helix	trans	-64.4	-46.6	175.2	-65.6	167.8	0	0	0	110.4	L14 T15 L16 S17 Y21 I22 L23	L14-I19 HydrophobicContact CB-CD1 4.38Å; L14-I19 HydrophobicContact CB-CG1 3.9Å; L14-I19 HydrophobicContact CD1-CG1 4.46Å; T15-I19 PolarHBondContact O-N 3.42Å; L16-I19 WeakPolarHBondContact O-CB 3.32Å; L16-I19 PolarHBondContact O-N 2.68Å; S17-I19 VanDerWaalsContact C-N 3.34Å; I19-Y21 PolarHBondContact O-N 2.61Å; I19-I22 PolarHBondContact O-N 3.11Å; I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.48Å; I19-L23 WeakPolarHBondContact O-CB 3.16Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 2.92Å
20	Y	73.6	Confident	71.8	Confident	151 Å²	151	102.4 Å²	102.4	59%	0.592	56%	0.56	S	S	*	*	H	α-helix	trans	-60.2	-43.5	176.1	-79.1	-71	0	0	0	112.1	L16 S17 I22 L23 D24	L16-Y20 HydrophobicContact CD2-CE2 4.29Å; L16-Y20 WeakPolarHBondContact O-CD2 2.82Å; L16-Y20 PolarHBondContact O-N 3.36Å; S17-Y20 PolarHBondContact O-N 3.01Å; Y20-I22 PolarHBondContact O-N 3.36Å; Y20-L23 PolarHBondContact O-N 3.26Å; Y20-D24 PolarHBondContact O-N 3.41Å
21	Y	78.4	Confident	73.4	Confident	160 Å²	160	102 Å²	102	63%	0.627	55%	0.553	S	S	*	*	H	α-helix	trans	-63.8	-39.9	178.8	-168.3	-102.7	0	0	0	112.8	S17 Q18 I19 I25	S17-Y21 WeakPolarHBondContact O-CB 3.49Å; S17-Y21 PolarHBondContact O-N 3.22Å; Q18-Y21 PolarHBondContact O-N 2.84Å; I19-Y21 PolarHBondContact O-N 2.61Å; Y21-I25 HydrophobicContact CD1-CD1 3.7Å; Y21-I25 HydrophobicContact CE1-CD1 3.32Å; Y21-I25 HydrophobicContact CE1-CG1 4.39Å; Y21-I25 WeakPolarHBondContact O-CG1 3.4Å; Y21-I25 PolarHBondContact O-N 3.45Å; Y21-I25 VanDerWaalsContact O-N 3.14Å
22	I	79.6	Confident	74.6	Confident	91 Å²	91	99.8 Å²	99.8	47%	0.467	54%	0.542	S	S	.	.	H	α-helix	trans	-67.7	-39.9	175.5	-68.5	165.6	0	0	0	110.8	L14 Q18 I19 Y20 I25 A26	L14-I22 HydrophobicContact CD1-CD1 3.79Å; Q18-I22 WeakPolarHBondContact O-CD1 3.33Å; Q18-I22 VanDerWaalsContact O-CG1 3.25Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 2.97Å; I19-I22 PolarHBondContact O-N 3.11Å; Y20-I22 PolarHBondContact O-N 3.36Å; I22-I25 PolarHBondContact O-N 3.3Å; I22-A26 VanDerWaalsContact O-CB 3.29Å; I22-A26 WeakPolarHBondContact O-CB 3.05Å; I22-A26 PolarHBondContact O-N 3.26Å
23	L	73.7	Confident	75.2	Confident	95 Å²	95	97.4 Å²	97.4	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176	-77.7	165.5	0	0	0	111.8	I19 Y20 A26 C27	I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.48Å; I19-L23 WeakPolarHBondContact O-CB 3.16Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 2.92Å; Y20-L23 PolarHBondContact O-N 3.26Å; L23-A26 PolarHBondContact O-N 2.82Å; L23-C27 WeakPolarHBondContact O-CB 3.38Å; L23-C27 PolarHBondContact O-N 2.92Å
24	D	76.2	Confident	75.8	Confident	116 Å²	116	96.1 Å²	96.1	62%	0.62	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-43.6	177.6	-80.6	-19	0	0	0	111.9	Y20 C27 G28	Y20-D24 PolarHBondContact O-N 3.41Å; D24-C27 PolarHBondContact O-N 2.82Å; D24-G28 PolarHBondContact O-N 2.87Å
25	I	79.3	Confident	75.6	Confident	96 Å²	96	96.6 Å²	96.6	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-44.7	175.3	-68.4	171.3	0	0	0	110.7	Y21 I22 G28 F29	Y21-I25 HydrophobicContact CD1-CD1 3.7Å; Y21-I25 HydrophobicContact CE1-CD1 3.32Å; Y21-I25 HydrophobicContact CE1-CG1 4.39Å; Y21-I25 WeakPolarHBondContact O-CG1 3.4Å; Y21-I25 PolarHBondContact O-N 3.45Å; Y21-I25 VanDerWaalsContact O-N 3.14Å; I22-I25 PolarHBondContact O-N 3.3Å; I25-G28 PolarHBondContact O-N 3.14Å; I25-F29 WeakPolarHBondContact O-CB 3.37Å; I25-F29 PolarHBondContact O-N 2.82Å
26	A	77	Confident	75.4	Confident	45 Å²	45	101.4 Å²	101.4	37%	0.372	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-41.2	179.7	0	0	0	0	0	112.1	I22 L23 F29 L30	I22-A26 VanDerWaalsContact O-CB 3.29Å; I22-A26 WeakPolarHBondContact O-CB 3.05Å; I22-A26 PolarHBondContact O-N 3.26Å; L23-A26 PolarHBondContact O-N 2.82Å; A26-F29 PolarHBondContact O-N 2.92Å; A26-L30 WeakPolarHBondContact O-CB 3.49Å; A26-L30 WeakPolarHBondContact O-CG 3.43Å; A26-L30 PolarHBondContact O-N 3.47Å
27	C	79	Confident	75.3	Confident	69 Å²	69	100.2 Å²	100.2	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-45.6	174.6	-88.8	0	0	0	0	111.7	L23 D24 F29 L30 I31	L23-C27 WeakPolarHBondContact O-CB 3.38Å; L23-C27 PolarHBondContact O-N 2.92Å; D24-C27 PolarHBondContact O-N 2.82Å; C27-F29 VanDerWaalsContact C-N 3.31Å; C27-F29 PolarHBondContact O-N 2.91Å; C27-L30 PolarHBondContact O-N 3.4Å; C27-I31 VanDerWaalsContact O-CG1 3.26Å; C27-I31 WeakPolarHBondContact O-CG1 3.47Å; C27-I31 PolarHBondContact O-N 3.31Å
28	G	74.3	Confident	74.8	Confident	42 Å²	42	100.8 Å²	100.8	43%	0.433	52%	0.519	S	S	.	.	H	α-helix	trans	-59.2	-42.5	175.9	0	0	0	0	0	112.4	D24 I25 I31 S32	D24-G28 PolarHBondContact O-N 2.87Å; I25-G28 PolarHBondContact O-N 3.14Å; G28-I31 PolarHBondContact O-N 2.79Å; G28-S32 PolarHBondContact O-N 2.67Å
29	F	76.2	Confident	74.1	Confident	154 Å²	154	100 Å²	100	68%	0.675	52%	0.523	S	S	*	.	H	α-helix	trans	-66.4	-43.1	177.2	-146.9	-93	0	0	0	112	I25 A26 C27 S32 V33	I25-F29 WeakPolarHBondContact O-CB 3.37Å; I25-F29 PolarHBondContact O-N 2.82Å; A26-F29 PolarHBondContact O-N 2.92Å; C27-F29 VanDerWaalsContact C-N 3.31Å; C27-F29 PolarHBondContact O-N 2.91Å; F29-S32 PolarHBondContact O-N 3.04Å; F29-V33 HydrophobicContact CD1-CG2 4.08Å; F29-V33 HydrophobicContact CE1-CG2 4.2Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.46Å; F29-V33 PolarHBondContact O-N 3.21Å
30	L	76.5	Confident	73.1	Confident	109 Å²	109	98.6 Å²	98.6	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-41	177	-80.7	164.2	0	0	0	112.4	A26 C27 V33 L34	A26-L30 WeakPolarHBondContact O-CB 3.49Å; A26-L30 WeakPolarHBondContact O-CG 3.43Å; A26-L30 PolarHBondContact O-N 3.47Å; C27-L30 PolarHBondContact O-N 3.4Å; L30-V33 PolarHBondContact O-N 3.49Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 2.75Å
31	I	76.7	Confident	72.4	Confident	109 Å²	109	96.6 Å²	96.6	56%	0.559	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-45.4	176.1	-68.1	165.1	0	0	0	110.1	C27 G28 V33 L34 V35	C27-I31 VanDerWaalsContact O-CG1 3.26Å; C27-I31 WeakPolarHBondContact O-CG1 3.47Å; C27-I31 PolarHBondContact O-N 3.31Å; G28-I31 PolarHBondContact O-N 2.79Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 3.42Å; I31-L34 PolarHBondContact O-N 2.98Å; I31-V35 HydrophobicContact CG2-CG2 4.42Å; I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.02Å
32	S	69.7	Low	71.1	Confident	80 Å²	80	95.9 Å²	95.9	56%	0.559	53%	0.53	S	S	*	.	H	α-helix	trans	-62	-40.4	177.6	-172.1	0	0	0	0	112.5	G28 F29 W36	G28-S32 PolarHBondContact O-N 2.67Å; F29-S32 PolarHBondContact O-N 3.04Å; S32-W36 WeakPolarHBondContact O-CB 3.27Å; S32-W36 PolarHBondContact O-N 3.2Å
33	V	74	Confident	69.6	Low	59 Å²	59	98.3 Å²	98.3	36%	0.358	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-41.4	176.4	171.4	0	0	0	0	110.9	F29 L30 I31 W36 M37	F29-V33 HydrophobicContact CD1-CG2 4.08Å; F29-V33 HydrophobicContact CE1-CG2 4.2Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.46Å; F29-V33 PolarHBondContact O-N 3.21Å; L30-V33 PolarHBondContact O-N 3.49Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 3.42Å; V33-W36 PolarHBondContact O-N 2.84Å; V33-M37 HydrophobicContact CG1-CG 4.28Å; V33-M37 HydrophobicContact CG1-SD 3.83Å; V33-M37 WeakPolarHBondContact O-CB 3.25Å; V33-M37 VanDerWaalsContact O-CG 3.26Å; V33-M37 WeakPolarHBondContact O-CG 3.42Å; V33-M37 PolarHBondContact O-N 2.74Å
34	L	71.7	Confident	67.9	Low	102 Å²	102	101.1 Å²	101.1	53%	0.534	56%	0.559	S	S	.	*	H	α-helix	trans	-63.9	-42	176.5	-108.3	140	0	0	0	112.7	L30 I31 M37 N38	L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 2.75Å; I31-L34 PolarHBondContact O-N 2.98Å; L34-M37 PolarHBondContact O-N 2.81Å; L34-N38 WeakPolarHBondContact O-CB 3.39Å; L34-N38 PolarHBondContact O-N 2.77Å; L34-N38 PolarHBondContact O-ND2 3Å
35	V	71.8	Confident	65.9	Low	90 Å²	90	98.2 Å²	98.2	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-62.4	-45.3	175	171.9	0	0	0	0	110.2	I31 N38 S39	I31-V35 HydrophobicContact CG2-CG2 4.42Å; I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.02Å; V35-N38 PolarHBondContact O-N 3.44Å; V35-S39 PolarHBondContact O-N 2.99Å
36	W	72.7	Confident	63.8	Low	181 Å²	181	101.1 Å²	101.1	69%	0.686	57%	0.573	S	S	*	*	H	α-helix	trans	-64.5	-41.5	177.8	-176.1	76.9	0	0	0	113.1	S32 V33 S39 S40	S32-W36 WeakPolarHBondContact O-CB 3.27Å; S32-W36 PolarHBondContact O-N 3.2Å; V33-W36 PolarHBondContact O-N 2.84Å; W36-S39 PolarHBondContact O-N 2.78Å; W36-S40 PolarHBondContact O-N 2.95Å; W36-S40 PolarHBondContact O-OG 2.84Å
37	M	70	Confident	61.7	Low	104 Å²	104	108.7 Å²	108.7	51%	0.512	60%	0.6	S	S	.	*	H	α-helix	trans	-64.2	-40.2	175.8	-74	177.6	72.7	0	0	111.9	V33 L34 S40 V41	V33-M37 HydrophobicContact CG1-CG 4.28Å; V33-M37 HydrophobicContact CG1-SD 3.83Å; V33-M37 WeakPolarHBondContact O-CB 3.25Å; V33-M37 VanDerWaalsContact O-CG 3.26Å; V33-M37 WeakPolarHBondContact O-CG 3.42Å; V33-M37 PolarHBondContact O-N 2.74Å; L34-M37 PolarHBondContact O-N 2.81Å; M37-S40 WeakPolarHBondContact CA-OG 3.46Å; M37-S40 PolarHBondContact O-N 2.82Å; M37-S40 PolarHBondContact O-OG 3.48Å; M37-V41 VanDerWaalsContact O-CG2 3.3Å; M37-V41 WeakPolarHBondContact O-CG2 3.44Å; M37-V41 PolarHBondContact O-N 3.41Å
38	N	64.8	Low	59.4	Low	100 Å²	100	110.4 Å²	110.4	54%	0.535	61%	0.613	S	S	.	*	H	α-helix	trans	-66.8	-37.9	176.4	-82.4	-29.2	0	0	0	112.3	L34 V35 L42	L34-N38 WeakPolarHBondContact O-CB 3.39Å; L34-N38 PolarHBondContact O-N 2.77Å; L34-N38 PolarHBondContact O-ND2 3Å; V35-N38 PolarHBondContact O-N 3.44Å; N38-L42 WeakPolarHBondContact O-CG 3.24Å; N38-L42 PolarHBondContact O-N 2.87Å
39	S	64.7	Low	57.2	Low	73 Å²	73	115.7 Å²	115.7	51%	0.51	63%	0.631	S	S	.	*	H	α-helix	trans	-64.1	-42.4	173.3	-85.7	0	0	0	0	112.4	V35 W36 L42	V35-S39 PolarHBondContact O-N 2.99Å; W36-S39 PolarHBondContact O-N 2.78Å; S39-L42 PolarHBondContact O-N 2.8Å
40	S	56.4	Low	55.9	Low	44 Å²	44	113 Å²	113	31%	0.308	63%	0.63	S	S	.	*	H	α-helix	trans	-75.6	-24.7	-177.1	39.9	0	0	0	0	113.9	W36 M37	W36-S40 PolarHBondContact O-N 2.95Å; W36-S40 PolarHBondContact O-OG 2.84Å; M37-S40 WeakPolarHBondContact CA-OG 3.46Å; M37-S40 PolarHBondContact O-N 2.82Å; M37-S40 PolarHBondContact O-OG 3.48Å
41	V	58.1	Low	53.8	Low	109 Å²	109	116.5 Å²	116.5	66%	0.661	64%	0.643	S	S	*	*	H	α-helix	trans	-72.2	-31	171	171.4	0	0	0	0	111.9	M37 D43	M37-V41 VanDerWaalsContact O-CG2 3.3Å; M37-V41 WeakPolarHBondContact O-CG2 3.44Å; M37-V41 PolarHBondContact O-N 3.41Å; V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 PolarHBondContact O-N 2.93Å
42	L	50.8	Low	51.6	Low	146 Å²	146	119.8 Å²	119.8	76%	0.764	66%	0.66	S	S	*	*	H	α-helix	trans	-70.8	-22.8	177.5	-71.3	170.8	0	0	0	113.3	N38 S39	N38-L42 WeakPolarHBondContact O-CG 3.24Å; N38-L42 PolarHBondContact O-N 2.87Å; S39-L42 PolarHBondContact O-N 2.8Å
43	D	48.6	Very low	49.8	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-10.8	-178.5	-80.9	-19.1	0	0	0	114.7	V41 G45	V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 PolarHBondContact O-N 2.93Å; D43-G45 PolarHBondContact O-N 3.28Å
44	N	38	Very low	47.7	Very low	154 Å²	154	129.6 Å²	129.6	82%	0.824	69%	0.687	S	S	*	*	S	Bend	trans	-94.2	41.9	-174.3	-89	-22.7	0	0	0	114.9
45	G	34.1	Very low	45.7	Very low	55 Å²	55	133.5 Å²	133.5	57%	0.567	71%	0.705	S	S	*	*			trans	-149.4	65.9	-178.3	0	0	0	0	0	114.9	D43	D43-G45 PolarHBondContact O-N 3.28Å
46	N	35.4	Very low	43.9	Very low	158 Å²	158	133.7 Å²	133.7	85%	0.845	71%	0.711	S	S	*	*			trans	-175.9	96.7	141	-99	-30.1	0	0	0	112.6
47	H	32.8	Very low	42	Very low	203 Å²	203	129.5 Å²	129.5	94%	0.94	71%	0.709	S	S	*	*			trans	-82	106.5	156.2	-82.1	-68.7	0	0	0	109.2
48	S	30.6	Very low	40.1	Very low	106 Å²	106	131.6 Å²	131.6	74%	0.741	72%	0.722	S	S	*	*			trans	-158.9	135.9	152.8	44.4	0	0	0	0	111.7
49	N	28	Very low	38.6	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	73%	0.734	S	S	*	*			trans	-80.6	-177.9	178.8	-164.2	20	0	0	0	110.9
50	P	48.6	Very low	37.3	Very low	99 Å²	99	138.3 Å²	138.3	64%	0.643	75%	0.748	S	S	*	*				-101.4	148.8	-97.9	34.1	-17.9	0	0	0	112.7
51	Q	32.6	Very low	36.6	Very low	181 Å²	181	145.5 Å²	145.5	85%	0.846	77%	0.773	S	S	*	*			trans	-154.9	134.2	142.9	-77.2	-145.1	-0.9	0	0	109.8	R53	Q51-R53 PolarHBondContact O-N 3.33Å
52	I	30.6	Very low	36.4	Very low	178 Å²	178	141.7 Å²	141.7	91%	0.913	75%	0.753	S	S	*	*			trans	-54.1	96.4	174.8	-64.8	164.8	0	0	0	107.8
53	R	31.7	Very low	37.9	Very low	223 Å²	223	140.4 Å²	140.4	84%	0.842	75%	0.747	S	S	*	*			trans	-85.1	115.4	170.2	-73	-174.6	177.1	-173.5	-0.1	107.1	Q51 M55	Q51-R53 PolarHBondContact O-N 3.33Å; R53-M55 PolarHBondContact O-N 3.41Å
54	D	29.1	Very low	39.9	Very low	122 Å²	122	134.5 Å²	134.5	65%	0.652	72%	0.717	S	S	*	*			trans	-30.1	106.1	165.5	-172	-3	0	0	0	112	S56	D54-S56 VanDerWaalsContact CG-OG 3.29Å; D54-S56 PolarHBondContact O-N 2.9Å; D54-S56 WeakPolarHBondContact OD1-CB 3.34Å; D54-S56 PolarHBondContact OD1-N 3.42Å; D54-S56 PolarHBondContact OD1-OG 3.23Å; D54-S56 PolarHBondContact OD2-OG 3.29Å
55	M	31	Very low	42.5	Very low	184 Å²	184	129.4 Å²	129.4	91%	0.906	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-75.2	6.8	-177.3	-81.2	-177.5	177.1	0	0	113.1	R53 S57	R53-M55 PolarHBondContact O-N 3.41Å; M55-S57 VanDerWaalsContact C-N 3.31Å; M55-S57 PolarHBondContact O-N 2.79Å
56	S	34.4	Very low	45.4	Very low	95 Å²	95	130.1 Å²	130.1	66%	0.664	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-80.1	1	-175.4	65.5	0	0	0	0	115.7	D54	D54-S56 VanDerWaalsContact CG-OG 3.29Å; D54-S56 PolarHBondContact O-N 2.9Å; D54-S56 WeakPolarHBondContact OD1-CB 3.34Å; D54-S56 PolarHBondContact OD1-N 3.42Å; D54-S56 PolarHBondContact OD1-OG 3.23Å; D54-S56 PolarHBondContact OD2-OG 3.29Å
57	S	31.1	Very low	48.3	Very low	92 Å²	92	123.3 Å²	123.3	64%	0.643	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-124.8	2.3	-176.6	62.7	0	0	0	0	117.3	M55 M59	M55-S57 VanDerWaalsContact C-N 3.31Å; M55-S57 PolarHBondContact O-N 2.79Å; S57-M59 PolarHBondContact O-N 2.86Å
58	N	30.2	Very low	51.3	Low	148 Å²	148	118.8 Å²	118.8	79%	0.791	63%	0.627	S	S	*	*			trans	-79.3	68.2	161.7	-80	-5.6	0	0	0	108.7	I60	N58-I60 VanDerWaalsContact C-N 3.31Å; N58-I60 PolarHBondContact O-N 3.18Å
59	M	34.1	Very low	54.4	Low	159 Å²	159	117.7 Å²	117.7	78%	0.783	61%	0.613	S	S	*	*			trans	-51	108.3	151.5	-75.3	-179.8	68.4	0	0	105.3	S57 K61	S57-M59 PolarHBondContact O-N 2.86Å; M59-K61 VanDerWaalsContact C-N 3.33Å; M59-K61 PolarHBondContact O-N 3.04Å
60	I	38.3	Very low	57.6	Low	156 Å²	156	114.7 Å²	114.7	80%	0.8	60%	0.604	S	S	*	*			trans	-50.2	103.8	177.5	-62	174.7	0	0	0	106	N58 A62	N58-I60 VanDerWaalsContact C-N 3.31Å; N58-I60 PolarHBondContact O-N 3.18Å; I60-A62 PolarHBondContact O-N 2.81Å; I60-A62 VanDerWaalsContact O-N 3.13Å
61	K	41.7	Very low	59.9	Low	194 Å²	194	113.2 Å²	113.2	84%	0.843	59%	0.587	S	S	*	*			trans	-62.8	120.2	-179.5	-164.7	179.2	-178.5	-174.2	0	104.8	M59 D63	M59-K61 VanDerWaalsContact C-N 3.33Å; M59-K61 PolarHBondContact O-N 3.04Å; K61-D63 PolarHBondContact O-N 3.18Å; K61-D63 VanDerWaalsContact O-N 3.11Å
62	A	53.4	Low	62.7	Low	29 Å²	29	113.2 Å²	113.2	24%	0.24	58%	0.58	C	S	.	*			trans	-55.7	120.5	179.8	0	0	0	0	0	108.5	I60 C64	I60-A62 PolarHBondContact O-N 2.81Å; I60-A62 VanDerWaalsContact O-N 3.13Å; A62-C64 PolarHBondContact O-N 3.25Å
63	D	80.9	Confident	65.9	Low	119 Å²	119	105.5 Å²	105.5	64%	0.636	54%	0.544	S	S	*	.			trans	-79	62.1	177.7	-160.9	13.9	0	0	0	109.4	K61 R102	K61-D63 PolarHBondContact O-N 3.18Å; K61-D63 VanDerWaalsContact O-N 3.11Å; D63-R102 PolarHBondContact O-NH2 2.99Å
64	C	90.4	Very high	69	Low	18 Å²	18	98.9 Å²	98.9	12%	0.122	52%	0.521	C	S	.	.	S	Bend	trans	-131.4	157.5	-179.1	71.6	0	0	0	0	110.4	A62 V66 V238	A62-C64 PolarHBondContact O-N 3.25Å; C64-V66 PolarHBondContact O-N 3.35Å; C64-V238 HydrophobicContact CB-CB 3.84Å; C64-V238 HydrophobicContact CB-CG1 3.75Å; C64-V238 WeakPolarHBondContact CB-O 3.39Å
65	V	94.5	Very high	72.2	Confident	47 Å²	47	95.3 Å²	95.3	29%	0.285	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	114.5	176	175	0	0	0	0	108.4	I67 M98 G239 F240 E241	V65-I67 HydrophobicContact CG1-CD1 3.94Å; V65-M98 HydrophobicContact CG1-CE 3.95Å; V65-G239 PolarHBondContact N-O 2.91Å; V65-F240 HydrophobicContact CB-CD1 3.57Å; V65-F240 HydrophobicContact CB-CE1 3.87Å; V65-F240 HydrophobicContact CB-CG 4.46Å; V65-F240 HydrophobicContact CG1-CD1 3.75Å; V65-F240 HydrophobicContact CG1-CE1 3.97Å; V65-F240 HydrophobicContact CG2-CD1 4.39Å; V65-F240 HydrophobicContact CG2-CE1 4.22Å; V65-F240 CarbonylContact O-C 3.54Å; V65-F240 VanDerWaalsContact O-CA 3.24Å; V65-F240 WeakPolarHBondContact O-CA 3.25Å; V65-E241 PolarHBondContact O-N 2.92Å
66	V	94.8	Very high	75.3	Confident	69 Å²	69	88.3 Å²	88.3	42%	0.418	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.7	177.5	-174.7	0	0	0	0	109.5	C64 E241	C64-V66 PolarHBondContact O-N 3.35Å; V66-E241 HydrophobicContact CG2-CB 4.31Å
67	I	96.3	Very high	78.1	Confident	15 Å²	15	90.3 Å²	90.3	8%	0.077	47%	0.471	C	S	.	.			trans	-95.6	112.6	172.1	-54.4	-61.6	0	0	0	108.6	V65 F71 L93 R227 F240 E241 V242 P243	V65-I67 HydrophobicContact CG1-CD1 3.94Å; I67-F71 HydrophobicContact CG2-CB 4.05Å; I67-F71 HydrophobicContact CG2-CD1 3.45Å; I67-F71 VanDerWaalsContact CG2-CD1 3.45Å; I67-F71 HydrophobicContact CG2-CE1 4.23Å; I67-F71 HydrophobicContact CG2-CG 4.06Å; I67-L93 HydrophobicContact CG2-CD1 3.64Å; I67-R227 PolarHBondContact O-NH2 2.93Å; I67-F240 HydrophobicContact CG1-CD1 4.47Å; I67-E241 PolarHBondContact N-O 3.43Å; I67-V242 HydrophobicContact CB-CG1 4.49Å; I67-V242 HydrophobicContact CG1-CG1 4.37Å; I67-P243 WeakPolarHBondContact O-CD 3.26Å
68	E	95.6	Very high	81.2	Confident	108 Å²	108	93.8 Å²	93.8	51%	0.505	47%	0.471	S	S	.	.			trans	-64.5	152.5	-174	-66.4	-61.3	161	0	0	113.9	S70 F71 R227	E68-S70 PolarHBondContact O-N 3.32Å; E68-F71 WeakPolarHBondContact O-CB 3.12Å; E68-F71 PolarHBondContact O-N 3.07Å; E68-R227 VanDerWaalsContact C-NH2 3.26Å
69	D	95	Very high	84.3	Confident	83 Å²	83	89.2 Å²	89.2	44%	0.444	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.7	-179.8	-76.6	-25.2	0	0	0	112.7	F71 R227 P243 R245	D69-F71 VanDerWaalsContact C-N 3.27Å; D69-R227 VanDerWaalsContact CG-CZ 3.44Å; D69-R227 VanDerWaalsContact CG-NH2 3.26Å; D69-R227 IonicContact OD1-CZ 2.66Å; D69-R227 IonicContact OD1-NE 2.89Å; D69-R227 IonicContact OD1-NH1 2.64Å; D69-R227 PolarHBondContact OD1-NH1 2.94Å; D69-R227 VanDerWaalsContact OD1-NH1 3.09Å; D69-R227 IonicContact OD1-NH2 3.19Å; D69-R227 PolarHBondContact OD1-NH2 3.48Å; D69-R227 IonicContact OD2-CZ 3.69Å; D69-R227 IonicContact OD2-NH1 2.7Å; D69-R227 PolarHBondContact OD2-NH1 3.23Å; D69-R227 IonicContact OD2-NH2 2.84Å; D69-P243 WeakPolarHBondContact OD1-CA 3.38Å; D69-P243 VanDerWaalsContact OD1-CB 3.24Å; D69-P243 WeakPolarHBondContact OD1-CB 3.39Å; D69-R245 PolarHBondContact O-NH2 3.29Å
70	S	95.6	Very high	87	Confident	90 Å²	90	87 Å²	87	63%	0.629	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-13.5	176.4	59.2	0	0	0	0	113	E68 R72	E68-S70 PolarHBondContact O-N 3.32Å; S70-R72 PolarHBondContact O-N 2.85Å
71	F	96.4	Very high	89.4	Confident	67 Å²	67	81.2 Å²	81.2	29%	0.294	42%	0.416	S	S	.	.			trans	-63.7	127.8	179.5	-174.4	-120.8	0	0	0	110.3	I67 E68 D69 G73 F74 L93	I67-F71 HydrophobicContact CG2-CB 4.05Å; I67-F71 HydrophobicContact CG2-CD1 3.45Å; I67-F71 VanDerWaalsContact CG2-CD1 3.45Å; I67-F71 HydrophobicContact CG2-CE1 4.23Å; I67-F71 HydrophobicContact CG2-CG 4.06Å; E68-F71 WeakPolarHBondContact O-CB 3.12Å; E68-F71 PolarHBondContact O-N 3.07Å; D69-F71 VanDerWaalsContact C-N 3.27Å; F71-G73 VanDerWaalsContact CE1-CA 3.46Å; F71-F74 HydrophobicContact CE1-CE2 4.5Å; F71-F74 HydrophobicContact CZ-CD2 4.27Å; F71-F74 AromaticContact CZ-CE2 3.77Å; F71-F74 HydrophobicContact CZ-CE2 3.77Å; F71-F74 HydrophobicContact CZ-CZ 4.05Å; F71-L93 HydrophobicContact CD1-CD1 3.87Å; F71-L93 HydrophobicContact CE1-CD1 4.25Å
72	R	92.5	Very high	91.6	Very high	182 Å²	182	73.7 Å²	73.7	69%	0.687	39%	0.388	S	S	*	.			trans	-95.7	2.7	-175.4	-61.2	-58.7	-171.6	-177.7	-1.6	113.4	S70 Y91	S70-R72 PolarHBondContact O-N 2.85Å; R72-Y91 WeakPolarHBondContact O-CD1 3.42Å
73	G	96.3	Very high	93.4	Very high	15 Å²	15	77 Å²	77	16%	0.155	41%	0.407	C	S	.	.			trans	65.2	-167.1	-174.5	0	0	0	0	0	113.1	F71 V92	F71-G73 VanDerWaalsContact CE1-CA 3.46Å; G73-V92 CarbonylContact C-O 3.58Å; G73-V92 VanDerWaalsContact CA-O 3.24Å; G73-V92 WeakPolarHBondContact CA-O 3.28Å
74	F	97.7	Very high	94	Very high	84 Å²	84	77.9 Å²	77.9	37%	0.368	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-111.1	143.2	176.2	-55.9	-83.2	0	0	0	110.6	F71 T76 F79 Y91 V92 P95	F71-F74 HydrophobicContact CE1-CE2 4.5Å; F71-F74 HydrophobicContact CZ-CD2 4.27Å; F71-F74 AromaticContact CZ-CE2 3.77Å; F71-F74 HydrophobicContact CZ-CE2 3.77Å; F71-F74 HydrophobicContact CZ-CZ 4.05Å; F74-T76 PolarHBondContact O-N 3.14Å; F74-F79 HydrophobicContact CB-CE2 3.53Å; F74-F79 HydrophobicContact CB-CZ 4.05Å; F74-F79 HydrophobicContact CD2-CZ 4.49Å; F74-F79 HydrophobicContact CG-CE2 4.27Å; F74-F79 HydrophobicContact CG-CZ 4.31Å; F74-Y91 WeakPolarHBondContact O-CB 3.04Å; F74-V92 HydrophobicContact CB-CB 4.41Å; F74-V92 PolarHBondContact N-O 3.39Å; F74-V92 PolarHBondContact O-N 3.08Å; F74-P95 HydrophobicContact CD2-CG 3.77Å; F74-P95 HydrophobicContact CE2-CG 3.74Å
75	P	96.7	Very high	94.2	Very high	48 Å²	48	77.5 Å²	77.5	31%	0.312	40%	0.397	S	S	.	.			trans	-55.2	138.1	173.9	-22.6	31.8	0	0	0	112.1	E77 Y78 F79	P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 HydrophobicContact CB-CG 4.2Å; P75-E77 WeakPolarHBondContact CB-OE1 3.44Å; P75-E77 WeakPolarHBondContact CB-OE2 3.35Å; P75-E77 PolarHBondContact O-N 3.16Å; P75-Y78 HydrophobicContact CB-CD2 4.1Å; P75-Y78 HydrophobicContact CB-CE2 3.99Å; P75-Y78 HydrophobicContact CG-CD2 4.06Å; P75-Y78 HydrophobicContact CG-CE2 3.58Å; P75-Y78 PolarHBondContact O-N 3.33Å; P75-F79 WeakPolarHBondContact O-CD2 3.38Å
76	T	95.2	Very high	94.1	Very high	36 Å²	36	79.7 Å²	79.7	22%	0.221	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-68	-27.2	-172.7	58.8	0	0	0	0	113.3	F74 Y78 F79 L89 V92	F74-T76 PolarHBondContact O-N 3.14Å; T76-Y78 PolarHBondContact O-N 2.99Å; T76-F79 PolarHBondContact O-N 2.99Å; T76-L89 HydrophobicContact CG2-CB 4.01Å; T76-V92 HydrophobicContact CG2-CG2 4.47Å
77	E	94.3	Very high	94	Very high	138 Å²	138	84.3 Å²	84.3	65%	0.645	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-64.6	-16.3	179	62.9	-91	-151.8	0	0	113.9	P75 F79	P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 HydrophobicContact CB-CG 4.2Å; P75-E77 WeakPolarHBondContact CB-OE1 3.44Å; P75-E77 WeakPolarHBondContact CB-OE2 3.35Å; P75-E77 PolarHBondContact O-N 3.16Å; E77-F79 PolarHBondContact O-N 3.35Å
78	Y	95.3	Very high	94.1	Very high	164 Å²	164	83.6 Å²	83.6	64%	0.643	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-80.1	-5.1	174.1	-60	-23.7	0	0	0	113	P75 T76	P75-Y78 HydrophobicContact CB-CD2 4.1Å; P75-Y78 HydrophobicContact CB-CE2 3.99Å; P75-Y78 HydrophobicContact CG-CD2 4.06Å; P75-Y78 HydrophobicContact CG-CE2 3.58Å; P75-Y78 PolarHBondContact O-N 3.33Å; T76-Y78 PolarHBondContact O-N 2.99Å
79	F	96	Very high	94.2	Very high	52 Å²	52	79.3 Å²	79.3	23%	0.228	40%	0.401	C	S	.	.	S	Bend	trans	-129.3	155.7	-171.8	-62.2	-84.4	0	0	0	112.2	F74 P75 T76 E77 T81 V92 P95 H263	F74-F79 HydrophobicContact CB-CE2 3.53Å; F74-F79 HydrophobicContact CB-CZ 4.05Å; F74-F79 HydrophobicContact CD2-CZ 4.49Å; F74-F79 HydrophobicContact CG-CE2 4.27Å; F74-F79 HydrophobicContact CG-CZ 4.31Å; P75-F79 WeakPolarHBondContact O-CD2 3.38Å; T76-F79 PolarHBondContact O-N 2.99Å; E77-F79 PolarHBondContact O-N 3.35Å; F79-T81 PolarHBondContact O-N 3.47Å; F79-V92 HydrophobicContact CB-CG2 4.29Å; F79-V92 HydrophobicContact CD2-CB 4.06Å; F79-V92 HydrophobicContact CD2-CG1 4.45Å; F79-V92 HydrophobicContact CD2-CG2 3.55Å; F79-V92 HydrophobicContact CE2-CB 4.06Å; F79-V92 HydrophobicContact CE2-CG1 4.32Å; F79-V92 HydrophobicContact CE2-CG2 4.08Å; F79-V92 HydrophobicContact CG-CG2 3.96Å; F79-V92 HydrophobicContact CZ-CG1 4.44Å; F79-P95 HydrophobicContact CE1-CB 3.83Å; F79-P95 HydrophobicContact CE1-CG 4.01Å; F79-P95 HydrophobicContact CZ-CB 4.24Å; F79-P95 HydrophobicContact CZ-CG 3.88Å; F79-H263 AromaticContact CD1-CD2 3.86Å; F79-H263 AromaticContact CD1-CE1 3.84Å; F79-H263 AromaticContact CD1-NE2 3.5Å; F79-H263 AromaticContact CG-CD2 3.93Å; F79-H263 AromaticContact CG-NE2 3.88Å
80	C	89.5	Confident	94.3	Very high	113 Å²	113	79.7 Å²	79.7	76%	0.764	40%	0.403	S	S	*	.			trans	-77.8	90.3	172.1	-67	0	0	0	0	109.6
81	T	89	Confident	94.3	Very high	35 Å²	35	76.3 Å²	76.3	22%	0.215	38%	0.377	C	S	.	.			trans	-97.6	154.9	169.4	55.9	0	0	0	0	110.3	F79 L89 L261	F79-T81 PolarHBondContact O-N 3.47Å; T81-L89 HydrophobicContact CG2-CD1 4.27Å; T81-L261 HydrophobicContact CG2-CD2 4.25Å
82	S	88.9	Confident	94.4	Very high	36 Å²	36	73.1 Å²	73.1	25%	0.252	36%	0.363	S	S	.	.			trans	-72.9	127.8	177.2	176.8	0	0	0	0	109.8	R84 Y85	S82-R84 PolarHBondContact O-N 2.92Å; S82-R84 WeakPolarHBondContact OG-CB 3.48Å; S82-Y85 PolarHBondContact O-N 3.02Å
83	P	90.5	Very high	94.7	Very high	99 Å²	99	64.6 Å²	64.6	64%	0.643	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-56.4	-19.9	177.8	-27.3	35	0	0	0	114.1	Y85 D86	P83-Y85 PolarHBondContact O-N 2.91Å; P83-Y85 VanDerWaalsContact O-N 3.16Å; P83-D86 WeakPolarHBondContact CA-OD1 3.42Å; P83-D86 VanDerWaalsContact O-CG 3.27Å; P83-D86 PolarHBondContact O-N 3.05Å
84	R	93.6	Very high	94.8	Very high	137 Å²	137	63.9 Å²	63.9	52%	0.517	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-55	-30.3	172.2	-179.6	178.7	171.2	81	0.3	112.7	S82 N257 K274	S82-R84 PolarHBondContact O-N 2.92Å; S82-R84 WeakPolarHBondContact OG-CB 3.48Å; R84-N257 PolarHBondContact NH2-OD1 3.06Å; R84-K274 PolarHBondContact O-NZ 2.97Å
85	Y	95.2	Very high	94.8	Very high	10 Å²	10	60.9 Å²	60.9	4%	0.039	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-108.5	15.2	-174.7	-50.6	-51.6	0	0	0	113.2	S82 P83 E87 C88 N257 F258 D260 L261 F275	S82-Y85 PolarHBondContact O-N 3.02Å; P83-Y85 PolarHBondContact O-N 2.91Å; P83-Y85 VanDerWaalsContact O-N 3.16Å; Y85-E87 PolarHBondContact O-N 3.4Å; Y85-C88 VanDerWaalsContact O-CB 3.26Å; Y85-C88 WeakPolarHBondContact O-CB 3.36Å; Y85-C88 PolarHBondContact O-N 2.87Å; Y85-N257 HydrophobicContact CE1-CB 4.36Å; Y85-F258 AromaticContact CD1-CD1 3.42Å; Y85-F258 HydrophobicContact CD1-CD1 3.42Å; Y85-F258 VanDerWaalsContact CD1-CD1 3.42Å; Y85-F258 AromaticContact CD1-CE1 3.24Å; Y85-F258 HydrophobicContact CD1-CE1 3.24Å; Y85-F258 HydrophobicContact CD1-CE2 4.47Å; Y85-F258 HydrophobicContact CD1-CG 4.15Å; Y85-F258 AromaticContact CD1-CZ 3.82Å; Y85-F258 HydrophobicContact CD1-CZ 3.82Å; Y85-F258 AromaticContact CD2-CD1 3.89Å; Y85-F258 HydrophobicContact CD2-CD1 3.89Å; Y85-F258 HydrophobicContact CD2-CE1 4.37Å; Y85-F258 AromaticContact CE1-CD1 3.72Å; Y85-F258 HydrophobicContact CE1-CD1 3.72Å; Y85-F258 HydrophobicContact CE1-CD2 4.36Å; Y85-F258 AromaticContact CE1-CE1 3.89Å; Y85-F258 HydrophobicContact CE1-CE1 3.89Å; Y85-F258 HydrophobicContact CE1-CE2 4.47Å; Y85-F258 AromaticContact CE1-CG 3.98Å; Y85-F258 HydrophobicContact CE1-CG 3.98Å; Y85-F258 HydrophobicContact CE1-CZ 4.26Å; Y85-F258 HydrophobicContact CE2-CD1 4.17Å; Y85-F258 AromaticContact CG-CD1 3.52Å; Y85-F258 HydrophobicContact CG-CD1 3.52Å; Y85-F258 AromaticContact CG-CE1 3.54Å; Y85-F258 HydrophobicContact CG-CE1 3.54Å; Y85-F258 WeakPolarHBondContact OH-CA 3.49Å; Y85-F258 PolarHBondContact OH-N 2.98Å; Y85-D260 WeakPolarHBondContact CE2-OD1 3.38Å; Y85-D260 WeakPolarHBondContact CE2-OD2 3.37Å; Y85-D260 VanDerWaalsContact CZ-OD1 3.28Å; Y85-D260 PolarHBondContact OH-OD1 3.37Å; Y85-L261 HydrophobicContact CD2-CD1 4.26Å; Y85-L261 HydrophobicContact CD2-CD2 3.85Å; Y85-L261 HydrophobicContact CD2-CG 3.98Å; Y85-L261 HydrophobicContact CE2-CD2 4.36Å; Y85-L261 HydrophobicContact CE2-CG 4.18Å; Y85-F275 HydrophobicContact CD1-CE2 4Å; Y85-F275 AromaticContact CD1-CZ 3.81Å; Y85-F275 HydrophobicContact CD1-CZ 3.81Å; Y85-F275 HydrophobicContact CE1-CE1 4.36Å; Y85-F275 HydrophobicContact CE1-CE2 4.41Å; Y85-F275 AromaticContact CE1-CZ 3.91Å; Y85-F275 HydrophobicContact CE1-CZ 3.91Å
86	D	91.1	Very high	94.9	Very high	92 Å²	92	60.4 Å²	60.4	49%	0.492	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.4	172	-71.6	-12.1	0	0	0	109.9	P83 C88	P83-D86 WeakPolarHBondContact CA-OD1 3.42Å; P83-D86 VanDerWaalsContact O-CG 3.27Å; P83-D86 PolarHBondContact O-N 3.05Å; D86-C88 PolarHBondContact O-N 3.28Å; D86-C88 PolarHBondContact O-SG 3.34Å
87	E	94.2	Very high	95	Very high	166 Å²	166	61.2 Å²	61.2	78%	0.776	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	3.8	-178	-50.2	178.2	167.4	0	0	115.4	Y85 N268	Y85-E87 PolarHBondContact O-N 3.4Å; E87-N268 PolarHBondContact O-ND2 2.79Å; E87-N268 PolarHBondContact O-OD1 2.98Å
88	C	97.6	Very high	95.2	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.007	31%	0.311	C	S	.	.	S	Bend	trans	-97.1	-6.1	-177.7	-59.2	0	0	0	0	113.6	Y85 D86 F258 I267 N268	Y85-C88 VanDerWaalsContact O-CB 3.26Å; Y85-C88 WeakPolarHBondContact O-CB 3.36Å; Y85-C88 PolarHBondContact O-N 2.87Å; D86-C88 PolarHBondContact O-N 3.28Å; D86-C88 PolarHBondContact O-SG 3.34Å; C88-F258 HydrophobicContact CB-CE1 4.07Å; C88-F258 HydrophobicContact CB-CZ 4.21Å; C88-I267 VanDerWaalsContact O-CG1 3.32Å; C88-I267 WeakPolarHBondContact O-CG1 3.08Å; C88-N268 VanDerWaalsContact C-CG 3.42Å; C88-N268 VanDerWaalsContact C-OD1 3.26Å; C88-N268 WeakPolarHBondContact CA-OD1 3.47Å; C88-N268 PolarHBondContact O-N 2.8Å; C88-N268 PolarHBondContact O-OD1 3.4Å; C88-N268 VanDerWaalsContact O-OD1 3.13Å
89	L	97.4	Very high	95.3	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.089	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.2	-176	-57.5	176.9	0	0	0	109.4	T76 T81 V248 F258 L261 C265 V266 N268	T76-L89 HydrophobicContact CG2-CB 4.01Å; T81-L89 HydrophobicContact CG2-CD1 4.27Å; L89-V248 HydrophobicContact CD2-CG2 3.81Å; L89-F258 HydrophobicContact CD2-CD1 4.16Å; L89-F258 HydrophobicContact CD2-CE1 4.06Å; L89-L261 HydrophobicContact CD1-CD1 3.86Å; L89-L261 HydrophobicContact CD2-CD1 4.19Å; L89-C265 HydrophobicContact CD1-CB 4.1Å; L89-C265 HydrophobicContact CD2-CB 3.92Å; L89-C265 HydrophobicContact CG-CB 4.46Å; L89-V266 WeakPolarHBondContact CA-O 3.42Å; L89-N268 PolarHBondContact O-ND2 2.96Å
90	D	96.7	Very high	95.4	Very high	92 Å²	92	52.3 Å²	52.3	49%	0.492	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-51.2	171.8	-82.6	-32.8	0	0	0	110.9	V266 N268	D90-V266 HydrophobicContact CB-CG1 4.36Å; D90-V266 PolarHBondContact N-O 3.03Å; D90-N268 HydrophobicContact CB-CB 4.47Å; D90-N268 WeakPolarHBondContact OD1-CB 3.49Å
91	Y	97.3	Very high	95.8	Very high	19 Å²	19	52.3 Å²	52.3	8%	0.075	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	165.3	-177.1	54	-102.9	0	0	0	111.4	R72 F74 L93 R245 C265 V266	R72-Y91 WeakPolarHBondContact O-CD1 3.42Å; F74-Y91 WeakPolarHBondContact O-CB 3.04Å; Y91-L93 HydrophobicContact CD2-CB 4.44Å; Y91-L93 HydrophobicContact CE2-CB 4.1Å; Y91-L93 HydrophobicContact CE2-CD1 4.02Å; Y91-R245 VanDerWaalsContact OH-CD 3.3Å; Y91-R245 WeakPolarHBondContact OH-CD 3.36Å; Y91-R245 PolarHBondContact OH-NE 2.99Å; Y91-R245 PolarHBondContact OH-NH1 2.71Å; Y91-C265 WeakPolarHBondContact O-CA 3.38Å; Y91-V266 HydrophobicContact CD2-CB 4.45Å; Y91-V266 HydrophobicContact CD2-CG2 4.41Å; Y91-V266 HydrophobicContact CE1-CB 4.4Å; Y91-V266 HydrophobicContact CE2-CB 3.98Å; Y91-V266 HydrophobicContact CE2-CG2 3.59Å; Y91-V266 PolarHBondContact O-N 2.82Å; Y91-V266 VanDerWaalsContact O-N 3.07Å
92	V	98.1	Very high	96.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117	167.5	176.3	0	0	0	0	109.1	G73 F74 T76 F79 P95 H263	G73-V92 CarbonylContact C-O 3.58Å; G73-V92 VanDerWaalsContact CA-O 3.24Å; G73-V92 WeakPolarHBondContact CA-O 3.28Å; F74-V92 HydrophobicContact CB-CB 4.41Å; F74-V92 PolarHBondContact N-O 3.39Å; F74-V92 PolarHBondContact O-N 3.08Å; T76-V92 HydrophobicContact CG2-CG2 4.47Å; F79-V92 HydrophobicContact CB-CG2 4.29Å; F79-V92 HydrophobicContact CD2-CB 4.06Å; F79-V92 HydrophobicContact CD2-CG1 4.45Å; F79-V92 HydrophobicContact CD2-CG2 3.55Å; F79-V92 HydrophobicContact CE2-CB 4.06Å; F79-V92 HydrophobicContact CE2-CG1 4.32Å; F79-V92 HydrophobicContact CE2-CG2 4.08Å; F79-V92 HydrophobicContact CG-CG2 3.96Å; F79-V92 HydrophobicContact CZ-CG1 4.44Å; V92-P95 HydrophobicContact CG1-CG 4.15Å; V92-H263 HydrophobicContact CG1-CB 3.76Å; V92-H263 HydrophobicContact CG2-CB 4.47Å
93	L	98.4	Very high	96.6	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-45.8	179	-178.3	59.7	0	0	0	111	I67 F71 Y91 V242 V247 I264 V266	I67-L93 HydrophobicContact CG2-CD1 3.64Å; F71-L93 HydrophobicContact CD1-CD1 3.87Å; F71-L93 HydrophobicContact CE1-CD1 4.25Å; Y91-L93 HydrophobicContact CD2-CB 4.44Å; Y91-L93 HydrophobicContact CE2-CB 4.1Å; Y91-L93 HydrophobicContact CE2-CD1 4.02Å; L93-V242 HydrophobicContact CD2-CB 4.26Å; L93-V242 HydrophobicContact CD2-CG1 4.17Å; L93-V247 HydrophobicContact CD2-CG1 3.78Å; L93-I264 WeakPolarHBondContact CA-O 3.2Å; L93-I264 WeakPolarHBondContact CB-O 3.3Å; L93-I264 PolarHBondContact N-O 3.13Å; L93-V266 HydrophobicContact CB-CG2 4.36Å; L93-V266 HydrophobicContact CD2-CG2 4.28Å
94	I	98.4	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	109.4	-179.7	-44.5	179.7	0	0	0	108.9	M98 I99 L224 F240 V242 I264	I94-M98 HydrophobicContact CG2-CB 4.07Å; I94-M98 HydrophobicContact CG2-CG 4.23Å; I94-M98 HydrophobicContact CG2-SD 4.04Å; I94-I99 HydrophobicContact CB-CG1 4.3Å; I94-I99 HydrophobicContact CG2-CD1 4.4Å; I94-I99 HydrophobicContact CG2-CG1 3.62Å; I94-L224 HydrophobicContact CD1-CD2 3.86Å; I94-F240 HydrophobicContact CD1-CB 3.83Å; I94-F240 HydrophobicContact CD1-CD1 3.76Å; I94-F240 HydrophobicContact CD1-CD2 3.95Å; I94-F240 HydrophobicContact CD1-CE1 4.32Å; I94-F240 HydrophobicContact CD1-CE2 4.49Å; I94-F240 HydrophobicContact CD1-CG 3.57Å; I94-F240 HydrophobicContact CG2-CD1 4.38Å; I94-F240 HydrophobicContact CG2-CE1 3.91Å; I94-F240 HydrophobicContact CG2-CE2 4.39Å; I94-F240 HydrophobicContact CG2-CZ 3.91Å; I94-V242 HydrophobicContact CD1-CG1 4.04Å; I94-I264 HydrophobicContact CB-CB 4.13Å; I94-I264 HydrophobicContact CB-CD1 4.33Å; I94-I264 HydrophobicContact CD1-CD1 4.09Å; I94-I264 HydrophobicContact CG1-CB 4.42Å; I94-I264 PolarHBondContact N-O 3.05Å; I94-I264 PolarHBondContact O-N 2.8Å
95	P	98.3	Very high	97.1	Very high	21 Å²	21	47.8 Å²	47.8	14%	0.136	25%	0.247	C	C	.	.			trans	-61	153.4	173.3	-25.6	36.2	0	0	0	112.6	F74 F79 V92 G97 M98 I99	F74-P95 HydrophobicContact CD2-CG 3.77Å; F74-P95 HydrophobicContact CE2-CG 3.74Å; F79-P95 HydrophobicContact CE1-CB 3.83Å; F79-P95 HydrophobicContact CE1-CG 4.01Å; F79-P95 HydrophobicContact CZ-CB 4.24Å; F79-P95 HydrophobicContact CZ-CG 3.88Å; V92-P95 HydrophobicContact CG1-CG 4.15Å; P95-G97 VanDerWaalsContact C-N 3.34Å; P95-G97 PolarHBondContact O-N 3Å; P95-M98 WeakPolarHBondContact O-CB 3.49Å; P95-M98 PolarHBondContact O-N 2.96Å; P95-M98 VanDerWaalsContact O-N 3.13Å; P95-I99 PolarHBondContact O-N 2.86Å
96	N	98.1	Very high	97.1	Very high	38 Å²	38	47.5 Å²	47.5	20%	0.203	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-42	-173.6	-178	-100.3	0	0	0	112.2	M98 I99 K100 H262 H263	N96-M98 VanDerWaalsContact C-N 3.27Å; N96-M98 PolarHBondContact O-N 3.35Å; N96-I99 WeakPolarHBondContact O-CB 3.31Å; N96-I99 PolarHBondContact O-N 3.34Å; N96-I99 VanDerWaalsContact O-N 3.11Å; N96-K100 WeakPolarHBondContact O-CG 3.06Å; N96-K100 PolarHBondContact O-N 3.31Å; N96-H262 HydrophobicContact CB-CB 4.42Å; N96-H262 WeakPolarHBondContact CB-O 3.38Å; N96-H262 PolarHBondContact ND2-O 3.09Å; N96-H263 WeakPolarHBondContact CB-ND1 3.47Å; N96-H263 PolarHBondContact N-ND1 3.4Å
97	G	97.7	Very high	97.4	Very high	52 Å²	52	43.1 Å²	43.1	54%	0.536	22%	0.223	S	C	.	.	H	α-helix	trans	-59	-38.5	178.5	0	0	0	0	0	112.8	P95 K100 D101	P95-G97 VanDerWaalsContact C-N 3.34Å; P95-G97 PolarHBondContact O-N 3Å; G97-K100 PolarHBondContact O-N 2.98Å; G97-D101 WeakPolarHBondContact O-CB 3.41Å; G97-D101 PolarHBondContact O-N 2.96Å
98	M	98	Very high	97.5	Very high	82 Å²	82	39.2 Å²	39.2	40%	0.404	21%	0.205	S	C	.	.	H	α-helix	trans	-66.8	-38.3	177	-168.6	-179.9	-156.9	0	0	111.8	V65 I94 P95 N96 R102 F240	V65-M98 HydrophobicContact CG1-CE 3.95Å; I94-M98 HydrophobicContact CG2-CB 4.07Å; I94-M98 HydrophobicContact CG2-CG 4.23Å; I94-M98 HydrophobicContact CG2-SD 4.04Å; P95-M98 WeakPolarHBondContact O-CB 3.49Å; P95-M98 PolarHBondContact O-N 2.96Å; P95-M98 VanDerWaalsContact O-N 3.13Å; N96-M98 VanDerWaalsContact C-N 3.27Å; N96-M98 PolarHBondContact O-N 3.35Å; M98-R102 WeakPolarHBondContact O-CB 3.43Å; M98-R102 PolarHBondContact O-N 3.47Å; M98-F240 HydrophobicContact CE-CE1 4.38Å; M98-F240 HydrophobicContact CG-CE1 4.02Å; M98-F240 HydrophobicContact CG-CZ 4.22Å; M98-F240 HydrophobicContact SD-CE1 4.12Å
99	I	98.4	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-53.6	174	-59	168.5	0	0	0	109.2	I94 P95 N96 D101 R102 L103 L223 F240 Y250 I264	I94-I99 HydrophobicContact CB-CG1 4.3Å; I94-I99 HydrophobicContact CG2-CD1 4.4Å; I94-I99 HydrophobicContact CG2-CG1 3.62Å; P95-I99 PolarHBondContact O-N 2.86Å; N96-I99 WeakPolarHBondContact O-CB 3.31Å; N96-I99 PolarHBondContact O-N 3.34Å; N96-I99 VanDerWaalsContact O-N 3.11Å; I99-D101 PolarHBondContact O-N 3.43Å; I99-R102 PolarHBondContact O-N 3.41Å; I99-L103 HydrophobicContact CG2-CD1 4.1Å; I99-L103 HydrophobicContact CG2-CG 4.19Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 3.31Å; I99-L223 HydrophobicContact CG2-CD1 3.9Å; I99-F240 HydrophobicContact CG1-CE2 4.45Å; I99-Y250 HydrophobicContact CD1-CD1 4.39Å; I99-Y250 HydrophobicContact CD1-CD2 3.92Å; I99-Y250 HydrophobicContact CD1-CE2 4.36Å; I99-Y250 HydrophobicContact CD1-CG 3.93Å; I99-Y250 HydrophobicContact CG2-CD1 4.42Å; I99-Y250 HydrophobicContact CG2-CE1 3.82Å; I99-Y250 HydrophobicContact CG2-CE2 3.95Å; I99-I264 HydrophobicContact CD1-CD1 3.58Å; I99-I264 HydrophobicContact CD1-CG1 3.76Å; I99-I264 HydrophobicContact CG1-CD1 4.16Å
100	K	98.1	Very high	97.3	Very high	85 Å²	85	40.2 Å²	40.2	37%	0.37	21%	0.211	S	C	.	.	H	α-helix	trans	-56.9	-46.5	-177.8	-64.8	-66.8	-167.9	165.8	0	112.6	N96 G97 L103 E104 D137	N96-K100 WeakPolarHBondContact O-CG 3.06Å; N96-K100 PolarHBondContact O-N 3.31Å; G97-K100 PolarHBondContact O-N 2.98Å; K100-L103 PolarHBondContact O-N 2.99Å; K100-E104 PolarHBondContact O-N 3.4Å; K100-D137 WeakPolarHBondContact CD-OD2 3.35Å; K100-D137 WeakPolarHBondContact CE-OD2 3.22Å; K100-D137 IonicContact NZ-OD1 3.78Å; K100-D137 PolarHBondContact NZ-OD1 3.16Å; K100-D137 IonicContact NZ-OD2 2.69Å; K100-D137 PolarHBondContact NZ-OD2 2.91Å
101	D	97.8	Very high	97.2	Very high	114 Å²	114	35.9 Å²	35.9	61%	0.61	19%	0.187	S	C	*	.	H	α-helix	trans	-63	-44.6	178.8	-172.4	84.5	0	0	0	111.7	G97 I99 L103 E104 K105	G97-D101 WeakPolarHBondContact O-CB 3.41Å; G97-D101 PolarHBondContact O-N 2.96Å; I99-D101 PolarHBondContact O-N 3.43Å; D101-L103 VanDerWaalsContact C-N 3.32Å; D101-L103 PolarHBondContact O-N 3.39Å; D101-E104 WeakPolarHBondContact O-CB 3.37Å; D101-E104 PolarHBondContact O-N 3.04Å; D101-K105 PolarHBondContact O-N 3.4Å
102	R	97.3	Very high	97.1	Very high	23 Å²	23	38 Å²	38	9%	0.087	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-41.4	175.5	178.5	60.2	-165.7	114.7	-10.9	111.8	D63 M98 I99 E104 K105 M106 D109 G239 F240	D63-R102 PolarHBondContact O-NH2 2.99Å; M98-R102 WeakPolarHBondContact O-CB 3.43Å; M98-R102 PolarHBondContact O-N 3.47Å; I99-R102 PolarHBondContact O-N 3.41Å; R102-E104 VanDerWaalsContact C-N 3.31Å; R102-E104 PolarHBondContact O-N 3.26Å; R102-K105 PolarHBondContact O-N 3.36Å; R102-M106 HydrophobicContact CG-CG 4.32Å; R102-M106 HydrophobicContact CG-SD 4.33Å; R102-M106 VanDerWaalsContact NH1-N 3.11Å; R102-M106 WeakPolarHBondContact O-CG 3.48Å; R102-M106 PolarHBondContact O-N 3.07Å; R102-D109 IonicContact NH1-OD2 2.7Å; R102-D109 IonicContact NH2-OD2 2.64Å; R102-G239 PolarHBondContact NE-O 3.47Å; R102-F240 HydrophobicContact CB-CE1 4.33Å; R102-F240 HydrophobicContact CB-CE2 3.88Å; R102-F240 HydrophobicContact CB-CZ 3.5Å; R102-F240 VanDerWaalsContact CB-CZ 3.5Å; R102-F240 HydrophobicContact CG-CE1 4.48Å; R102-F240 HydrophobicContact CG-CE2 3.89Å; R102-F240 HydrophobicContact CG-CZ 3.84Å
103	L	97.4	Very high	97	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-32.3	179.9	-68.1	-167.2	0	0	0	112.9	I99 K100 D101 M106 S107 F134 D137 L223 Y250	I99-L103 HydrophobicContact CG2-CD1 4.1Å; I99-L103 HydrophobicContact CG2-CG 4.19Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 3.31Å; K100-L103 PolarHBondContact O-N 2.99Å; D101-L103 VanDerWaalsContact C-N 3.32Å; D101-L103 PolarHBondContact O-N 3.39Å; L103-M106 HydrophobicContact CD2-SD 3.57Å; L103-M106 VanDerWaalsContact CD2-SD 3.57Å; L103-M106 PolarHBondContact O-N 3.4Å; L103-S107 WeakPolarHBondContact O-CB 3.41Å; L103-S107 PolarHBondContact O-N 3.16Å; L103-S107 PolarHBondContact O-OG 3.27Å; L103-F134 HydrophobicContact CD1-CD2 3.74Å; L103-F134 HydrophobicContact CD1-CE2 4.19Å; L103-F134 HydrophobicContact CD2-CD2 3.69Å; L103-F134 HydrophobicContact CD2-CE2 3.34Å; L103-F134 HydrophobicContact CD2-CZ 4.4Å; L103-F134 HydrophobicContact CG-CD2 4.36Å; L103-F134 HydrophobicContact CG-CE2 4.38Å; L103-D137 HydrophobicContact CD1-CB 3.57Å; L103-L223 HydrophobicContact CD2-CD1 4.07Å; L103-Y250 WeakPolarHBondContact CD1-OH 3.26Å
104	E	96.8	Very high	96.9	Very high	96 Å²	96	41.8 Å²	41.8	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-49.4	171.5	-179.6	160.3	-144.7	0	0	110.8	K100 D101 R102 M106 S107 M108 R144	K100-E104 PolarHBondContact O-N 3.4Å; D101-E104 WeakPolarHBondContact O-CB 3.37Å; D101-E104 PolarHBondContact O-N 3.04Å; R102-E104 VanDerWaalsContact C-N 3.31Å; R102-E104 PolarHBondContact O-N 3.26Å; E104-M106 PolarHBondContact O-N 3.12Å; E104-S107 WeakPolarHBondContact O-CB 3.43Å; E104-S107 PolarHBondContact O-N 3.45Å; E104-M108 PolarHBondContact O-N 2.84Å; E104-R144 IonicContact OE1-NH1 3.08Å; E104-R144 PolarHBondContact OE1-NH1 2.64Å
105	K	96.2	Very high	96.7	Very high	90 Å²	90	45.8 Å²	45.8	39%	0.391	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-42.4	175	179	55.3	179.7	142.9	0	112.4	D101 R102 S107 M108 D109	D101-K105 PolarHBondContact O-N 3.4Å; R102-K105 PolarHBondContact O-N 3.36Å; K105-S107 PolarHBondContact O-N 2.82Å; K105-M108 HydrophobicContact CD-SD 4.4Å; K105-M108 WeakPolarHBondContact O-CB 3.26Å; K105-M108 PolarHBondContact O-N 3.41Å; K105-M108 VanDerWaalsContact O-N 3.14Å; K105-D109 WeakPolarHBondContact CE-OD1 3.28Å; K105-D109 IonicContact NZ-OD1 3.94Å; K105-D109 PolarHBondContact NZ-OD1 3.4Å; K105-D109 IonicContact NZ-OD2 2.69Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.2Å; K105-D109 VanDerWaalsContact O-N 3.11Å; K105-D109 VanDerWaalsContact O-OD2 3.13Å
106	M	95.9	Very high	96.6	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-39.2	176.6	-71.9	-178	72.2	0	0	111.7	R102 L103 E104 M108 D109 I110 F134 A221 G239	R102-M106 HydrophobicContact CG-CG 4.32Å; R102-M106 HydrophobicContact CG-SD 4.33Å; R102-M106 VanDerWaalsContact NH1-N 3.11Å; R102-M106 WeakPolarHBondContact O-CG 3.48Å; R102-M106 PolarHBondContact O-N 3.07Å; L103-M106 HydrophobicContact CD2-SD 3.57Å; L103-M106 VanDerWaalsContact CD2-SD 3.57Å; L103-M106 PolarHBondContact O-N 3.4Å; E104-M106 PolarHBondContact O-N 3.12Å; M106-M108 VanDerWaalsContact C-N 3.29Å; M106-M108 PolarHBondContact O-N 3.36Å; M106-D109 PolarHBondContact O-N 2.83Å; M106-I110 WeakPolarHBondContact O-CD1 3.4Å; M106-I110 VanDerWaalsContact O-CG1 3.32Å; M106-I110 WeakPolarHBondContact O-CG1 3.33Å; M106-I110 PolarHBondContact O-N 3.2Å; M106-F134 HydrophobicContact CE-CZ 4.17Å; M106-A221 HydrophobicContact CE-CB 4.49Å; M106-G239 WeakPolarHBondContact SD-CA 3.5Å
107	S	96.6	Very high	96.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-38.9	178.9	-57.5	0	0	0	0	111.6	L103 E104 K105 V111 G141	L103-S107 WeakPolarHBondContact O-CB 3.41Å; L103-S107 PolarHBondContact O-N 3.16Å; L103-S107 PolarHBondContact O-OG 3.27Å; E104-S107 WeakPolarHBondContact O-CB 3.43Å; E104-S107 PolarHBondContact O-N 3.45Å; K105-S107 PolarHBondContact O-N 2.82Å; S107-V111 WeakPolarHBondContact O-CG2 3.31Å; S107-V111 PolarHBondContact O-N 2.97Å; S107-V111 VanDerWaalsContact O-N 3.07Å; S107-G141 WeakPolarHBondContact OG-CA 3.42Å
108	M	96	Very high	96.3	Very high	84 Å²	84	53.7 Å²	53.7	41%	0.414	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-47.6	173.5	-60.5	171.2	67.7	0	0	111.5	E104 K105 M106 I110 V111 D112 T145	E104-M108 PolarHBondContact O-N 2.84Å; K105-M108 HydrophobicContact CD-SD 4.4Å; K105-M108 WeakPolarHBondContact O-CB 3.26Å; K105-M108 PolarHBondContact O-N 3.41Å; K105-M108 VanDerWaalsContact O-N 3.14Å; M106-M108 VanDerWaalsContact C-N 3.29Å; M106-M108 PolarHBondContact O-N 3.36Å; M108-I110 VanDerWaalsContact C-N 3.34Å; M108-I110 PolarHBondContact O-N 3.1Å; M108-V111 PolarHBondContact O-N 2.82Å; M108-D112 PolarHBondContact O-N 3.31Å; M108-T145 HydrophobicContact CG-CG2 4.31Å
109	D	95.4	Very high	96.2	Very high	36 Å²	36	50.4 Å²	50.4	19%	0.193	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-42.3	-178.7	-58.2	-31.3	0	0	0	111.8	R102 K105 M106 D112 Y113	R102-D109 IonicContact NH1-OD2 2.7Å; R102-D109 IonicContact NH2-OD2 2.64Å; K105-D109 WeakPolarHBondContact CE-OD1 3.28Å; K105-D109 IonicContact NZ-OD1 3.94Å; K105-D109 PolarHBondContact NZ-OD1 3.4Å; K105-D109 IonicContact NZ-OD2 2.69Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.2Å; K105-D109 VanDerWaalsContact O-N 3.11Å; K105-D109 VanDerWaalsContact O-OD2 3.13Å; M106-D109 PolarHBondContact O-N 2.83Å; D109-D112 PolarHBondContact O-N 2.93Å; D109-Y113 WeakPolarHBondContact O-CB 3.41Å; D109-Y113 PolarHBondContact O-N 3.38Å
110	I	95.9	Very high	96	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-65.6	-42.7	178	-71.7	160.9	0	0	0	111	M106 M108 Y113 Y114 L138 L142 L191 A221	M106-I110 WeakPolarHBondContact O-CD1 3.4Å; M106-I110 VanDerWaalsContact O-CG1 3.32Å; M106-I110 WeakPolarHBondContact O-CG1 3.33Å; M106-I110 PolarHBondContact O-N 3.2Å; M108-I110 VanDerWaalsContact C-N 3.34Å; M108-I110 PolarHBondContact O-N 3.1Å; I110-Y113 PolarHBondContact O-N 2.86Å; I110-Y114 HydrophobicContact CG2-CD2 3.77Å; I110-Y114 HydrophobicContact CG2-CE2 3.91Å; I110-Y114 VanDerWaalsContact O-CD2 3.31Å; I110-Y114 WeakPolarHBondContact O-CD2 3.45Å; I110-Y114 PolarHBondContact O-N 3.21Å; I110-L138 HydrophobicContact CD1-CD1 3.86Å; I110-L138 HydrophobicContact CD1-CD2 4.29Å; I110-L142 HydrophobicContact CB-CD2 3.92Å; I110-L142 HydrophobicContact CG2-CD2 3.63Å; I110-L191 HydrophobicContact CD1-CD2 4.05Å; I110-L191 HydrophobicContact CG1-CD2 4.45Å; I110-L191 HydrophobicContact CG2-CD2 3.88Å; I110-A221 HydrophobicContact CD1-CB 4.3Å
111	V	96.2	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-46.6	177.1	167.6	0	0	0	0	110.9	S107 M108 Y113 Y114 E115 L142 T145 V146 I151	S107-V111 WeakPolarHBondContact O-CG2 3.31Å; S107-V111 PolarHBondContact O-N 2.97Å; S107-V111 VanDerWaalsContact O-N 3.07Å; M108-V111 PolarHBondContact O-N 2.82Å; V111-Y113 VanDerWaalsContact C-N 3.27Å; V111-Y113 PolarHBondContact O-N 2.96Å; V111-Y114 PolarHBondContact O-N 3.11Å; V111-E115 VanDerWaalsContact O-CB 3.22Å; V111-E115 WeakPolarHBondContact O-CB 3.27Å; V111-E115 PolarHBondContact O-N 2.71Å; V111-L142 HydrophobicContact CG2-CD2 3.83Å; V111-T145 HydrophobicContact CB-CG2 3.82Å; V111-T145 HydrophobicContact CG1-CG2 3.92Å; V111-T145 HydrophobicContact CG2-CG2 3.83Å; V111-V146 HydrophobicContact CG2-CG2 3.92Å; V111-I151 HydrophobicContact CG1-CD1 3.42Å; V111-I151 VanDerWaalsContact CG1-CD1 3.42Å
112	D	95.1	Very high	96	Very high	64 Å²	64	48 Å²	48	34%	0.342	26%	0.262	S	S	.	.	H	α-helix	trans	-53.9	-45.7	175.2	-80.5	-33.3	0	0	0	111.5	M108 D109 A116 R149	M108-D112 PolarHBondContact O-N 3.31Å; D109-D112 PolarHBondContact O-N 2.93Å; D112-A116 VanDerWaalsContact O-CB 3.27Å; D112-A116 WeakPolarHBondContact O-CB 3.22Å; D112-A116 PolarHBondContact O-N 2.94Å; D112-R149 IonicContact OD1-CZ 3.04Å; D112-R149 IonicContact OD1-NH1 3.87Å; D112-R149 PolarHBondContact OD1-NH1 3.3Å; D112-R149 IonicContact OD1-NH2 2.96Å; D112-R149 PolarHBondContact OD1-NH2 3.41Å
113	Y	95.1	Very high	96	Very high	79 Å²	79	47 Å²	47	31%	0.31	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-52	178.5	173.6	-99.4	0	0	0	112.5	D109 I110 V111 A116 C117 K219	D109-Y113 WeakPolarHBondContact O-CB 3.41Å; D109-Y113 PolarHBondContact O-N 3.38Å; I110-Y113 PolarHBondContact O-N 2.86Å; V111-Y113 VanDerWaalsContact C-N 3.27Å; V111-Y113 PolarHBondContact O-N 2.96Å; Y113-A116 PolarHBondContact O-N 3.15Å; Y113-C117 VanDerWaalsContact CZ-SG 3.56Å; Y113-C117 PolarHBondContact O-N 3.35Å; Y113-C117 PolarHBondContact O-SG 3.24Å; Y113-K219 HydrophobicContact CE1-CD 4.38Å; Y113-K219 HydrophobicContact CE1-CG 3.91Å; Y113-K219 WeakPolarHBondContact OH-CE 3.38Å
114	Y	95.9	Very high	96	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-72.2	-31.2	-176.2	-80.6	-64.1	0	0	0	112.9	I110 V111 C117 N118 A119 I122 N189 L191	I110-Y114 HydrophobicContact CG2-CD2 3.77Å; I110-Y114 HydrophobicContact CG2-CE2 3.91Å; I110-Y114 VanDerWaalsContact O-CD2 3.31Å; I110-Y114 WeakPolarHBondContact O-CD2 3.45Å; I110-Y114 PolarHBondContact O-N 3.21Å; V111-Y114 PolarHBondContact O-N 3.11Å; Y114-C117 PolarHBondContact O-N 2.74Å; Y114-N118 PolarHBondContact O-N 2.83Å; Y114-A119 HydrophobicContact CD1-CB 3.73Å; Y114-A119 HydrophobicContact CG-CB 4.29Å; Y114-A119 VanDerWaalsContact O-CB 3.28Å; Y114-A119 WeakPolarHBondContact O-CB 3.47Å; Y114-A119 PolarHBondContact O-N 3.07Å; Y114-I122 HydrophobicContact CD1-CG2 3.52Å; Y114-I122 HydrophobicContact CD2-CD1 4.35Å; Y114-I122 HydrophobicContact CD2-CG2 3.74Å; Y114-I122 HydrophobicContact CE1-CG2 3.64Å; Y114-I122 HydrophobicContact CE2-CD1 4.45Å; Y114-I122 HydrophobicContact CE2-CG2 3.84Å; Y114-I122 HydrophobicContact CG-CG2 3.57Å; Y114-N189 HydrophobicContact CE1-CB 3.93Å; Y114-L191 HydrophobicContact CE2-CB 4.44Å; Y114-L191 HydrophobicContact CE2-CD2 4.48Å
115	E	94.8	Very high	96	Very high	84 Å²	84	42.3 Å²	42.3	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-49.4	170.8	-176	174.3	-170.7	0	0	110.9	V111 C117 N118 R149	V111-E115 VanDerWaalsContact O-CB 3.22Å; V111-E115 WeakPolarHBondContact O-CB 3.27Å; V111-E115 PolarHBondContact O-N 2.71Å; E115-C117 PolarHBondContact O-N 3.21Å; E115-N118 WeakPolarHBondContact O-CA 3.26Å; E115-N118 PolarHBondContact O-N 3.27Å; E115-R149 IonicContact OE2-CZ 3.42Å; E115-R149 IonicContact OE2-NH1 3.86Å; E115-R149 PolarHBondContact OE2-NH1 2.72Å
116	A	95.5	Very high	96	Very high	80 Å²	80	38 Å²	38	66%	0.661	22%	0.218	S	C	*	.	H	α-helix	trans	-60.4	-31.6	176.9	0	0	0	0	0	112.9	D112 Y113 N118	D112-A116 VanDerWaalsContact O-CB 3.27Å; D112-A116 WeakPolarHBondContact O-CB 3.22Å; D112-A116 PolarHBondContact O-N 2.94Å; Y113-A116 PolarHBondContact O-N 3.15Å; A116-N118 PolarHBondContact O-N 3.24Å
117	C	94.6	Very high	95.9	Very high	62 Å²	62	38.2 Å²	38.2	42%	0.419	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.3	174.9	-64.8	0	0	0	0	113.9	Y113 Y114 E115 A119	Y113-C117 VanDerWaalsContact CZ-SG 3.56Å; Y113-C117 PolarHBondContact O-N 3.35Å; Y113-C117 PolarHBondContact O-SG 3.24Å; Y114-C117 PolarHBondContact O-N 2.74Å; E115-C117 PolarHBondContact O-N 3.21Å; C117-A119 PolarHBondContact O-N 3.42Å
118	N	95.2	Very high	95.8	Very high	136 Å²	136	40.8 Å²	40.8	73%	0.727	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	41.7	-172.7	-60.8	-75.7	0	0	0	112.1	Y114 E115 A116 T120	Y114-N118 PolarHBondContact O-N 2.83Å; E115-N118 WeakPolarHBondContact O-CA 3.26Å; E115-N118 PolarHBondContact O-N 3.27Å; A116-N118 PolarHBondContact O-N 3.24Å; N118-T120 PolarHBondContact O-N 2.96Å
119	A	95.9	Very high	95.7	Very high	13 Å²	13	40.6 Å²	40.6	11%	0.107	23%	0.23	C	C	.	.			trans	-68.9	130.7	178.3	0	0	0	0	0	110.4	Y114 C117 L153	Y114-A119 HydrophobicContact CD1-CB 3.73Å; Y114-A119 HydrophobicContact CG-CB 4.29Å; Y114-A119 VanDerWaalsContact O-CB 3.28Å; Y114-A119 WeakPolarHBondContact O-CB 3.47Å; Y114-A119 PolarHBondContact O-N 3.07Å; C117-A119 PolarHBondContact O-N 3.42Å; A119-L153 HydrophobicContact CB-CD1 4.24Å
120	T	95.2	Very high	95.5	Very high	106 Å²	106	39.1 Å²	39.1	65%	0.65	22%	0.222	S	C	*	.	S	Bend	trans	-88.7	-15.6	178.6	53.6	0	0	0	0	113.3	N118 P154	N118-T120 PolarHBondContact O-N 2.96Å; T120-P154 VanDerWaalsContact O-CD 3.25Å; T120-P154 WeakPolarHBondContact O-CD 3.2Å
121	S	97	Very high	95.5	Very high	42 Å²	42	39 Å²	39	29%	0.294	22%	0.222	S	C	.	.			trans	-167.7	159.9	175.3	56	0	0	0	0	109.8	P154 N189	S121-P154 VanDerWaalsContact CA-O 3.27Å; S121-P154 WeakPolarHBondContact CA-O 3.13Å; S121-N189 PolarHBondContact O-ND2 2.89Å
122	I	97.6	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.6	171	63.3	175.4	0	0	0	110.5	Y114 L124 L153 P154 M155 S156 N189	Y114-I122 HydrophobicContact CD1-CG2 3.52Å; Y114-I122 HydrophobicContact CD2-CD1 4.35Å; Y114-I122 HydrophobicContact CD2-CG2 3.74Å; Y114-I122 HydrophobicContact CE1-CG2 3.64Å; Y114-I122 HydrophobicContact CE2-CD1 4.45Å; Y114-I122 HydrophobicContact CE2-CG2 3.84Å; Y114-I122 HydrophobicContact CG-CG2 3.57Å; I122-L124 HydrophobicContact CD1-CD2 3.94Å; I122-L124 HydrophobicContact CG1-CD2 4.44Å; I122-L153 HydrophobicContact CD1-CD2 4.11Å; I122-L153 HydrophobicContact CG1-CG 4.43Å; I122-L153 HydrophobicContact CG2-CD1 4.12Å; I122-P154 PolarHBondContact N-O 3.4Å; I122-M155 HydrophobicContact CD1-CG 3.87Å; I122-M155 HydrophobicContact CD1-SD 4.12Å; I122-M155 HydrophobicContact CG1-CB 4.32Å; I122-M155 HydrophobicContact CG1-CG 3.67Å; I122-M155 WeakPolarHBondContact O-CA 3.41Å; I122-S156 PolarHBondContact O-N 3.46Å; I122-N189 HydrophobicContact CG2-CB 4.33Å
123	T	97.2	Very high	95.6	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.5	172.1	-64.1	0	0	0	0	108.7	M125 S156 E158 N189 V190 L191	T123-M125 PolarHBondContact O-N 3.11Å; T123-S156 CarbonylContact C-O 3.6Å; T123-S156 WeakPolarHBondContact CA-O 3.32Å; T123-S156 WeakPolarHBondContact CB-OG 3.5Å; T123-S156 WeakPolarHBondContact CG2-OG 3.43Å; T123-S156 PolarHBondContact OG1-OG 3.28Å; T123-E158 HydrophobicContact CG2-CB 4.21Å; T123-E158 HydrophobicContact CG2-CG 3.58Å; T123-N189 PolarHBondContact N-O 2.69Å; T123-V190 CarbonylContact O-C 3.57Å; T123-V190 WeakPolarHBondContact O-CA 3.44Å; T123-L191 PolarHBondContact O-N 3.24Å
124	L	97.7	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	109.2	176.9	-56.1	177.4	0	0	0	108.7	I122 L135 V139 L142 M155 S156 V157 E158 L191	I122-L124 HydrophobicContact CD1-CD2 3.94Å; I122-L124 HydrophobicContact CG1-CD2 4.44Å; L124-L135 HydrophobicContact CB-CD1 3.97Å; L124-L135 HydrophobicContact CD1-CD1 4.32Å; L124-V139 HydrophobicContact CD1-CG2 3.45Å; L124-V139 VanDerWaalsContact CD1-CG2 3.45Å; L124-L142 HydrophobicContact CD1-CD1 4.04Å; L124-L142 HydrophobicContact CD2-CD1 4.12Å; L124-M155 HydrophobicContact CD1-SD 4.39Å; L124-S156 PolarHBondContact N-O 3.26Å; L124-V157 HydrophobicContact CB-CG2 4.42Å; L124-V157 HydrophobicContact CD1-CG2 4.36Å; L124-V157 CarbonylContact O-C 3.55Å; L124-V157 WeakPolarHBondContact O-CA 3.2Å; L124-E158 PolarHBondContact O-N 3.48Å; L124-L191 CarbonylContact C-O 3.56Å; L124-L191 WeakPolarHBondContact CA-O 3.38Å; L124-L191 HydrophobicContact CD2-CB 3.95Å; L124-L191 HydrophobicContact CD2-CD2 3.74Å; L124-L191 HydrophobicContact CD2-CG 4.28Å
125	M	96.1	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	102.4	179.5	179.8	172.6	-70.6	0	0	110.3	T123 E158 V160 L179 Y185 V190 L191 V192 V193 L206 L210	T123-M125 PolarHBondContact O-N 3.11Å; M125-E158 CarbonylContact C-O 3.59Å; M125-E158 WeakPolarHBondContact CA-O 3.42Å; M125-V160 HydrophobicContact CG-CB 4.29Å; M125-V160 HydrophobicContact CG-CG1 3.81Å; M125-V160 HydrophobicContact SD-CB 4.25Å; M125-V160 HydrophobicContact SD-CG1 4.01Å; M125-L179 HydrophobicContact CE-CD2 3.39Å; M125-L179 HydrophobicContact SD-CD2 3.82Å; M125-Y185 HydrophobicContact CE-CD1 3.99Å; M125-Y185 HydrophobicContact CE-CE1 3.29Å; M125-V190 HydrophobicContact CB-CG1 3.93Å; M125-V190 HydrophobicContact CE-CG1 4.5Å; M125-L191 PolarHBondContact N-O 3Å; M125-V192 CarbonylContact O-C 3.57Å; M125-V192 WeakPolarHBondContact O-CA 3.11Å; M125-V193 PolarHBondContact O-N 2.89Å; M125-L206 HydrophobicContact SD-CD1 4.12Å; M125-L210 HydrophobicContact CE-CD2 3.83Å; M125-L210 HydrophobicContact SD-CD1 4.2Å; M125-L210 HydrophobicContact SD-CD2 4Å
126	C	96.9	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.3	-179.5	178.9	0	0	0	0	112.1	L128 L135 E158 F159 V160	C126-L128 PolarHBondContact O-N 3.44Å; C126-L135 HydrophobicContact CB-CB 4.16Å; C126-L135 HydrophobicContact CB-CD1 4.19Å; C126-L135 HydrophobicContact CB-CD2 3.36Å; C126-L135 HydrophobicContact CB-CG 4.08Å; C126-E158 PolarHBondContact N-O 3.26Å; C126-F159 HydrophobicContact CB-CD1 3.75Å; C126-F159 HydrophobicContact CB-CE1 3.98Å; C126-V160 PolarHBondContact O-N 3.05Å
127	V	94.8	Very high	96.2	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.6	171.1	-177.3	0	0	0	0	109.6	G131 V160 V162 V192 V193 E194 L206	V127-G131 WeakPolarHBondContact O-CA 3.49Å; V127-G131 PolarHBondContact O-N 2.7Å; V127-V160 CarbonylContact C-O 3.59Å; V127-V160 WeakPolarHBondContact CA-O 3.31Å; V127-V160 HydrophobicContact CG2-CG1 4.04Å; V127-V162 HydrophobicContact CG1-CB 4.42Å; V127-V162 HydrophobicContact CG1-CG2 4.08Å; V127-V192 HydrophobicContact CG2-CG1 3.87Å; V127-V193 PolarHBondContact N-O 2.64Å; V127-E194 HydrophobicContact CB-CG 4.38Å; V127-E194 HydrophobicContact CG2-CB 4.28Å; V127-E194 HydrophobicContact CG2-CG 4.4Å; V127-L206 HydrophobicContact CG2-CD2 3.83Å
128	L	94.2	Very high	96.4	Very high	54 Å²	54	32.4 Å²	32.4	28%	0.283	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.9	179.1	-70.1	-177.1	0	0	0	112.4	C126 F132 F159 V160 R161	C126-L128 PolarHBondContact O-N 3.44Å; L128-F132 HydrophobicContact CD2-CB 4.02Å; L128-F159 HydrophobicContact CD1-CB 3.73Å; L128-F159 HydrophobicContact CD1-CD1 3.94Å; L128-F159 HydrophobicContact CD1-CG 4.08Å; L128-F159 HydrophobicContact CD2-CD1 3.82Å; L128-F159 HydrophobicContact CD2-CE1 4.35Å; L128-F159 HydrophobicContact CG-CB 4.15Å; L128-F159 HydrophobicContact CG-CD1 3.89Å; L128-F159 HydrophobicContact CG-CG 4.42Å; L128-V160 PolarHBondContact N-O 3.38Å; L128-R161 HydrophobicContact CB-CB 4.49Å
129	K	92.6	Very high	96.5	Very high	80 Å²	80	27.1 Å²	27.1	35%	0.348	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	-33.4	3.7	-66.3	-179.6	-167.8	164	0	113.6	G131 F132 D256	K129-G131 VanDerWaalsContact C-N 3.33Å; K129-G131 PolarHBondContact O-N 3.09Å; K129-F132 WeakPolarHBondContact O-CD1 3.2Å; K129-F132 PolarHBondContact O-N 3.04Å; K129-D256 VanDerWaalsContact NZ-CG 3.34Å; K129-D256 IonicContact NZ-OD1 2.91Å; K129-D256 PolarHBondContact NZ-OD1 3.47Å; K129-D256 IonicContact NZ-OD2 3.02Å; K129-D256 PolarHBondContact NZ-OD2 3.09Å
130	G	92.6	Very high	96.6	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.7	-161.8	0	0	0	0	0	115.6	F132 D195 A251	G130-F132 PolarHBondContact O-N 2.93Å; G130-F132 VanDerWaalsContact O-N 3.15Å; G130-D195 VanDerWaalsContact CA-OD2 3.24Å; G130-D195 WeakPolarHBondContact CA-OD2 3.43Å; G130-A251 WeakPolarHBondContact CA-O 3.4Å; G130-A251 VanDerWaalsContact O-CB 3.26Å; G130-A251 WeakPolarHBondContact O-CB 3.29Å
131	G	94.8	Very high	96.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-12.5	179.4	0	0	0	0	0	115.5	V127 K129 K133 F134 L135	V127-G131 WeakPolarHBondContact O-CA 3.49Å; V127-G131 PolarHBondContact O-N 2.7Å; K129-G131 VanDerWaalsContact C-N 3.33Å; K129-G131 PolarHBondContact O-N 3.09Å; G131-K133 PolarHBondContact O-N 2.9Å; G131-F134 PolarHBondContact O-N 3.31Å; G131-L135 WeakPolarHBondContact O-CB 3.29Å; G131-L135 PolarHBondContact O-N 2.99Å
132	F	96.9	Very high	96.8	Very high	89 Å²	89	23.2 Å²	23.2	39%	0.39	12%	0.124	S	C	.	.	H	α-helix	trans	-65.4	-38.3	-167.1	87.5	-83.4	0	0	0	114.6	L128 K129 G130 A136 A251	L128-F132 HydrophobicContact CD2-CB 4.02Å; K129-F132 WeakPolarHBondContact O-CD1 3.2Å; K129-F132 PolarHBondContact O-N 3.04Å; G130-F132 PolarHBondContact O-N 2.93Å; G130-F132 VanDerWaalsContact O-N 3.15Å; F132-A136 PolarHBondContact O-N 2.98Å; F132-A136 VanDerWaalsContact O-N 3.07Å; F132-A251 HydrophobicContact CD1-CB 3.61Å; F132-A251 HydrophobicContact CE1-CB 3.3Å; F132-A251 HydrophobicContact CZ-CB 4.18Å
133	K	97.7	Very high	96.8	Very high	48 Å²	48	27.6 Å²	27.6	21%	0.209	14%	0.144	C	C	.	.	H	α-helix	trans	-70	-42.6	177.5	-79.4	-173.9	-177.4	175.7	0	110.9	G131 A136 D137 Y250 A251 R259	G131-K133 PolarHBondContact O-N 2.9Å; K133-A136 PolarHBondContact O-N 3.29Å; K133-D137 PolarHBondContact O-N 3.3Å; K133-D137 VanDerWaalsContact O-N 3.12Å; K133-Y250 HydrophobicContact CB-CE1 4.46Å; K133-A251 HydrophobicContact CB-CB 3.9Å; K133-A251 HydrophobicContact CD-CB 3.77Å; K133-A251 HydrophobicContact CG-CB 3.76Å; K133-R259 PolarHBondContact NZ-O 3.32Å
134	F	98.2	Very high	96.9	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-48.4	174.6	170.6	-144.3	0	0	0	111	L103 M106 G131 A136 D137 L138 V193 E194 A221 L223 Y250	L103-F134 HydrophobicContact CD1-CD2 3.74Å; L103-F134 HydrophobicContact CD1-CE2 4.19Å; L103-F134 HydrophobicContact CD2-CD2 3.69Å; L103-F134 HydrophobicContact CD2-CE2 3.34Å; L103-F134 HydrophobicContact CD2-CZ 4.4Å; L103-F134 HydrophobicContact CG-CD2 4.36Å; L103-F134 HydrophobicContact CG-CE2 4.38Å; M106-F134 HydrophobicContact CE-CZ 4.17Å; G131-F134 PolarHBondContact O-N 3.31Å; F134-A136 PolarHBondContact O-N 3.19Å; F134-D137 PolarHBondContact O-N 2.71Å; F134-L138 HydrophobicContact CD2-CB 4.27Å; F134-L138 HydrophobicContact CE2-CB 4.02Å; F134-L138 HydrophobicContact CE2-CD1 4.27Å; F134-L138 HydrophobicContact CE2-CD2 4.01Å; F134-L138 HydrophobicContact CE2-CG 4.33Å; F134-L138 HydrophobicContact CZ-CD2 3.99Å; F134-L138 VanDerWaalsContact O-CB 3.23Å; F134-L138 WeakPolarHBondContact O-CB 3.32Å; F134-L138 PolarHBondContact O-N 2.85Å; F134-V193 HydrophobicContact CD1-CG1 3.45Å; F134-V193 VanDerWaalsContact CD1-CG1 3.45Å; F134-V193 HydrophobicContact CE1-CG1 3.47Å; F134-V193 VanDerWaalsContact CE1-CG1 3.47Å; F134-V193 HydrophobicContact CG-CG1 4.15Å; F134-V193 HydrophobicContact CZ-CG1 4.15Å; F134-E194 WeakPolarHBondContact CD1-O 3.49Å; F134-E194 WeakPolarHBondContact CE1-O 3.41Å; F134-A221 HydrophobicContact CZ-CB 4.19Å; F134-L223 HydrophobicContact CB-CB 4.48Å; F134-L223 HydrophobicContact CB-CD2 4.49Å; F134-L223 HydrophobicContact CD1-CB 3.79Å; F134-L223 HydrophobicContact CD2-CB 4.27Å; F134-L223 HydrophobicContact CE1-CB 4.03Å; F134-L223 VanDerWaalsContact CE1-N 3.35Å; F134-L223 HydrophobicContact CG-CB 3.92Å; F134-L223 HydrophobicContact CZ-CB 4.4Å; F134-Y250 HydrophobicContact CB-CE1 4.09Å
135	L	98.4	Very high	96.9	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-54.6	-50.1	175.5	176.2	72.3	0	0	0	111.8	L124 C126 G131 D137 L138 V139 V157 F159 V193	L124-L135 HydrophobicContact CB-CD1 3.97Å; L124-L135 HydrophobicContact CD1-CD1 4.32Å; C126-L135 HydrophobicContact CB-CB 4.16Å; C126-L135 HydrophobicContact CB-CD1 4.19Å; C126-L135 HydrophobicContact CB-CD2 3.36Å; C126-L135 HydrophobicContact CB-CG 4.08Å; G131-L135 WeakPolarHBondContact O-CB 3.29Å; G131-L135 PolarHBondContact O-N 2.99Å; L135-D137 VanDerWaalsContact C-N 3.32Å; L135-D137 PolarHBondContact O-N 2.87Å; L135-L138 PolarHBondContact O-N 3.3Å; L135-V139 HydrophobicContact CD1-CG2 4.02Å; L135-V139 HydrophobicContact CG-CG2 4.25Å; L135-V139 WeakPolarHBondContact O-CB 3.19Å; L135-V139 VanDerWaalsContact O-CG2 3.26Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 3.46Å; L135-V157 HydrophobicContact CD2-CG1 3.6Å; L135-F159 HydrophobicContact CD2-CE1 3.63Å; L135-F159 HydrophobicContact CD2-CZ 4.09Å; L135-V193 HydrophobicContact CB-CG1 4.1Å; L135-V193 HydrophobicContact CD1-CB 4.21Å; L135-V193 HydrophobicContact CD1-CG1 4.24Å; L135-V193 HydrophobicContact CD1-CG2 3.96Å
136	A	98.3	Very high	97	Very high	56 Å²	56	33.1 Å²	33.1	46%	0.463	17%	0.169	S	C	.	.	H	α-helix	trans	-59.3	-44.8	-177.7	0	0	0	0	0	112	F132 K133 F134 D140	F132-A136 PolarHBondContact O-N 2.98Å; F132-A136 VanDerWaalsContact O-N 3.07Å; K133-A136 PolarHBondContact O-N 3.29Å; F134-A136 PolarHBondContact O-N 3.19Å; A136-D140 PolarHBondContact O-N 3.04Å; A136-D140 VanDerWaalsContact O-N 3.16Å
137	D	98.3	Very high	97	Very high	31 Å²	31	41.1 Å²	41.1	17%	0.166	20%	0.199	C	C	.	.	H	α-helix	trans	-69.7	-36.8	178.7	-71.3	-17.6	0	0	0	112.5	K100 L103 K133 F134 L135 G141 Y250	K100-D137 WeakPolarHBondContact CD-OD2 3.35Å; K100-D137 WeakPolarHBondContact CE-OD2 3.22Å; K100-D137 IonicContact NZ-OD1 3.78Å; K100-D137 PolarHBondContact NZ-OD1 3.16Å; K100-D137 IonicContact NZ-OD2 2.69Å; K100-D137 PolarHBondContact NZ-OD2 2.91Å; L103-D137 HydrophobicContact CD1-CB 3.57Å; K133-D137 PolarHBondContact O-N 3.3Å; K133-D137 VanDerWaalsContact O-N 3.12Å; F134-D137 PolarHBondContact O-N 2.71Å; L135-D137 VanDerWaalsContact C-N 3.32Å; L135-D137 PolarHBondContact O-N 2.87Å; D137-G141 PolarHBondContact O-N 3.07Å; D137-G141 VanDerWaalsContact O-N 3.1Å; D137-Y250 PolarHBondContact OD2-OH 2.84Å
138	L	98.2	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-45.1	175.7	-174.8	65.4	0	0	0	111.1	I110 F134 L135 D140 G141 L142 V193 A221	I110-L138 HydrophobicContact CD1-CD1 3.86Å; I110-L138 HydrophobicContact CD1-CD2 4.29Å; F134-L138 HydrophobicContact CD2-CB 4.27Å; F134-L138 HydrophobicContact CE2-CB 4.02Å; F134-L138 HydrophobicContact CE2-CD1 4.27Å; F134-L138 HydrophobicContact CE2-CD2 4.01Å; F134-L138 HydrophobicContact CE2-CG 4.33Å; F134-L138 HydrophobicContact CZ-CD2 3.99Å; F134-L138 VanDerWaalsContact O-CB 3.23Å; F134-L138 WeakPolarHBondContact O-CB 3.32Å; F134-L138 PolarHBondContact O-N 2.85Å; L135-L138 PolarHBondContact O-N 3.3Å; L138-D140 VanDerWaalsContact C-N 3.35Å; L138-D140 PolarHBondContact O-N 2.91Å; L138-G141 PolarHBondContact O-N 2.88Å; L138-L142 HydrophobicContact CG-CD1 4.08Å; L138-L142 HydrophobicContact CG-CG 4.35Å; L138-L142 WeakPolarHBondContact O-CB 3.32Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.4Å; L138-L142 PolarHBondContact O-N 2.89Å; L138-V193 HydrophobicContact CD2-CG1 4.23Å; L138-V193 HydrophobicContact CD2-CG2 4.04Å; L138-A221 HydrophobicContact CD2-CB 4.34Å
139	V	98.3	Very high	97.2	Very high	26 Å²	26	48 Å²	48	16%	0.158	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-47.5	176.5	167.7	0	0	0	0	110.9	L124 L135 G141 L142 E143 V157	L124-V139 HydrophobicContact CD1-CG2 3.45Å; L124-V139 VanDerWaalsContact CD1-CG2 3.45Å; L135-V139 HydrophobicContact CD1-CG2 4.02Å; L135-V139 HydrophobicContact CG-CG2 4.25Å; L135-V139 WeakPolarHBondContact O-CB 3.19Å; L135-V139 VanDerWaalsContact O-CG2 3.26Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 3.46Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.42Å; V139-L142 PolarHBondContact O-N 2.66Å; V139-E143 HydrophobicContact CG1-CG 4.32Å; V139-E143 WeakPolarHBondContact O-CB 3.34Å; V139-E143 WeakPolarHBondContact O-CG 3.41Å; V139-E143 PolarHBondContact O-N 2.9Å; V139-V157 HydrophobicContact CG2-CG2 4.39Å
140	D	98.2	Very high	97.4	Very high	77 Å²	77	47.4 Å²	47.4	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-41.7	177.5	179	58.3	0	0	0	111.8	A136 L138 R144	A136-D140 PolarHBondContact O-N 3.04Å; A136-D140 VanDerWaalsContact O-N 3.16Å; L138-D140 VanDerWaalsContact C-N 3.35Å; L138-D140 PolarHBondContact O-N 2.91Å; D140-R144 WeakPolarHBondContact O-CB 3.24Å; D140-R144 VanDerWaalsContact O-CG 3.29Å; D140-R144 WeakPolarHBondContact O-CG 3.48Å; D140-R144 PolarHBondContact O-N 3.33Å; D140-R144 PolarHBondContact O-NE 3.28Å; D140-R144 IonicContact OD1-NE 2.94Å; D140-R144 IonicContact OD2-CZ 2.71Å; D140-R144 IonicContact OD2-NE 3.21Å; D140-R144 PolarHBondContact OD2-NE 2.52Å; D140-R144 IonicContact OD2-NH2 3.74Å; D140-R144 PolarHBondContact OD2-NH2 3.19Å
141	G	98.2	Very high	97.5	Very high	1 Å²	1	49 Å²	49	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-41.6	174.2	0	0	0	0	0	113.6	S107 D137 L138 V139 R144 T145	S107-G141 WeakPolarHBondContact OG-CA 3.42Å; D137-G141 PolarHBondContact O-N 3.07Å; D137-G141 VanDerWaalsContact O-N 3.1Å; L138-G141 PolarHBondContact O-N 2.88Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.42Å; G141-R144 PolarHBondContact O-N 3.19Å; G141-T145 WeakPolarHBondContact O-CB 3.26Å; G141-T145 PolarHBondContact O-N 3.42Å; G141-T145 PolarHBondContact O-OG1 2.7Å
142	L	98.3	Very high	97.5	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-48.6	176.5	-70.2	170.9	0	0	0	110.8	I110 V111 L124 L138 V139 R144 T145 V146 M155	I110-L142 HydrophobicContact CB-CD2 3.92Å; I110-L142 HydrophobicContact CG2-CD2 3.63Å; V111-L142 HydrophobicContact CG2-CD2 3.83Å; L124-L142 HydrophobicContact CD1-CD1 4.04Å; L124-L142 HydrophobicContact CD2-CD1 4.12Å; L138-L142 HydrophobicContact CG-CD1 4.08Å; L138-L142 HydrophobicContact CG-CG 4.35Å; L138-L142 WeakPolarHBondContact O-CB 3.32Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.4Å; L138-L142 PolarHBondContact O-N 2.89Å; V139-L142 PolarHBondContact O-N 2.66Å; L142-R144 VanDerWaalsContact C-N 3.34Å; L142-R144 PolarHBondContact O-N 2.8Å; L142-T145 PolarHBondContact O-N 2.96Å; L142-V146 WeakPolarHBondContact O-CB 3.24Å; L142-V146 VanDerWaalsContact O-CG2 3.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.23Å; L142-V146 PolarHBondContact O-N 3.15Å; L142-M155 HydrophobicContact CB-CE 4.15Å; L142-M155 HydrophobicContact CB-SD 3.73Å; L142-M155 HydrophobicContact CD1-SD 3.94Å; L142-M155 HydrophobicContact CG-SD 4.44Å
143	E	97.9	Very high	97.4	Very high	92 Å²	92	51.4 Å²	51.4	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-42.4	177.6	-72.7	-177	173.9	0	0	112.1	V139 R147 M155	V139-E143 HydrophobicContact CG1-CG 4.32Å; V139-E143 WeakPolarHBondContact O-CB 3.34Å; V139-E143 WeakPolarHBondContact O-CG 3.41Å; V139-E143 PolarHBondContact O-N 2.9Å; E143-R147 VanDerWaalsContact O-CB 3.22Å; E143-R147 WeakPolarHBondContact O-CB 3.44Å; E143-R147 PolarHBondContact O-N 3.05Å; E143-M155 HydrophobicContact CB-CE 4.38Å; E143-M155 HydrophobicContact CG-CE 3.43Å; E143-M155 VanDerWaalsContact CG-CE 3.43Å
144	R	98.2	Very high	97.4	Very high	80 Å²	80	52.4 Å²	52.4	30%	0.302	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-47.8	174.2	-81.6	-173.4	-86.9	122.3	-5.7	111.3	E104 D140 G141 L142 A148	E104-R144 IonicContact OE1-NH1 3.08Å; E104-R144 PolarHBondContact OE1-NH1 2.64Å; D140-R144 WeakPolarHBondContact O-CB 3.24Å; D140-R144 VanDerWaalsContact O-CG 3.29Å; D140-R144 WeakPolarHBondContact O-CG 3.48Å; D140-R144 PolarHBondContact O-N 3.33Å; D140-R144 PolarHBondContact O-NE 3.28Å; D140-R144 IonicContact OD1-NE 2.94Å; D140-R144 IonicContact OD2-CZ 2.71Å; D140-R144 IonicContact OD2-NE 3.21Å; D140-R144 PolarHBondContact OD2-NE 2.52Å; D140-R144 IonicContact OD2-NH2 3.74Å; D140-R144 PolarHBondContact OD2-NH2 3.19Å; G141-R144 PolarHBondContact O-N 3.19Å; L142-R144 VanDerWaalsContact C-N 3.34Å; L142-R144 PolarHBondContact O-N 2.8Å; R144-A148 WeakPolarHBondContact O-CB 3.41Å; R144-A148 PolarHBondContact O-N 2.7Å
145	T	97.9	Very high	97.4	Very high	19 Å²	19	55 Å²	55	12%	0.117	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-49.7	-178.8	-58.1	0	0	0	0	111.5	M108 V111 G141 L142 R147 A148 R149	M108-T145 HydrophobicContact CG-CG2 4.31Å; V111-T145 HydrophobicContact CB-CG2 3.82Å; V111-T145 HydrophobicContact CG1-CG2 3.92Å; V111-T145 HydrophobicContact CG2-CG2 3.83Å; G141-T145 WeakPolarHBondContact O-CB 3.26Å; G141-T145 PolarHBondContact O-N 3.42Å; G141-T145 PolarHBondContact O-OG1 2.7Å; L142-T145 PolarHBondContact O-N 2.96Å; T145-R147 VanDerWaalsContact C-N 3.33Å; T145-R147 PolarHBondContact O-N 3.13Å; T145-A148 PolarHBondContact O-N 3Å; T145-R149 WeakPolarHBondContact O-CG 3.44Å; T145-R149 PolarHBondContact O-N 3.01Å
146	V	97.8	Very high	97.3	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-46.9	178.6	166.9	0	0	0	0	110.8	V111 L142 R149 G150 I151 L153	V111-V146 HydrophobicContact CG2-CG2 3.92Å; L142-V146 WeakPolarHBondContact O-CB 3.24Å; L142-V146 VanDerWaalsContact O-CG2 3.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.23Å; L142-V146 PolarHBondContact O-N 3.15Å; V146-R149 PolarHBondContact O-N 3.25Å; V146-G150 PolarHBondContact O-N 2.72Å; V146-I151 HydrophobicContact CB-CG1 4.27Å; V146-I151 HydrophobicContact CG1-CG1 3.95Å; V146-I151 WeakPolarHBondContact CG1-O 3.17Å; V146-I151 HydrophobicContact CG2-CD1 4.23Å; V146-I151 HydrophobicContact CG2-CG1 4.21Å; V146-I151 PolarHBondContact O-N 3.32Å; V146-L153 HydrophobicContact CG2-CB 4.17Å; V146-L153 HydrophobicContact CG2-CD2 4.49Å
147	R	97.5	Very high	97.2	Very high	169 Å²	169	56.8 Å²	56.8	64%	0.638	32%	0.316	S	S	*	.	H	α-helix	trans	-63.1	-45.5	178.1	179.8	174.9	62.4	-115.2	5	112.4	E143 T145 R149 G150	E143-R147 VanDerWaalsContact O-CB 3.22Å; E143-R147 WeakPolarHBondContact O-CB 3.44Å; E143-R147 PolarHBondContact O-N 3.05Å; T145-R147 VanDerWaalsContact C-N 3.33Å; T145-R147 PolarHBondContact O-N 3.13Å; R147-R149 VanDerWaalsContact C-N 3.26Å; R147-R149 PolarHBondContact O-N 2.98Å; R147-G150 PolarHBondContact O-N 2.92Å
148	A	97.4	Very high	97.1	Very high	90 Å²	90	57.8 Å²	57.8	74%	0.744	32%	0.32	S	S	*	.	H	α-helix	trans	-64	-33.1	-179	0	0	0	0	0	112.4	R144 T145	R144-A148 WeakPolarHBondContact O-CB 3.41Å; R144-A148 PolarHBondContact O-N 2.7Å; T145-A148 PolarHBondContact O-N 3Å
149	R	96.1	Very high	96.9	Very high	117 Å²	117	62.2 Å²	62.2	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-87.1	-15.7	178.5	-64.6	-173.7	121.1	-174.9	19.3	114.3	D112 E115 T145 V146 R147 I151	D112-R149 IonicContact OD1-CZ 3.04Å; D112-R149 IonicContact OD1-NH1 3.87Å; D112-R149 PolarHBondContact OD1-NH1 3.3Å; D112-R149 IonicContact OD1-NH2 2.96Å; D112-R149 PolarHBondContact OD1-NH2 3.41Å; E115-R149 IonicContact OE2-CZ 3.42Å; E115-R149 IonicContact OE2-NH1 3.86Å; E115-R149 PolarHBondContact OE2-NH1 2.72Å; T145-R149 WeakPolarHBondContact O-CG 3.44Å; T145-R149 PolarHBondContact O-N 3.01Å; V146-R149 PolarHBondContact O-N 3.25Å; R147-R149 VanDerWaalsContact C-N 3.26Å; R147-R149 PolarHBondContact O-N 2.98Å; R149-I151 VanDerWaalsContact C-N 3.3Å; R149-I151 HydrophobicContact CB-CG2 4.04Å; R149-I151 PolarHBondContact O-N 3.21Å
150	G	95.6	Very high	96.7	Very high	67 Å²	67	61 Å²	61	69%	0.691	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	25.5	-178.6	0	0	0	0	0	113.9	V146 R147	V146-G150 PolarHBondContact O-N 2.72Å; R147-G150 PolarHBondContact O-N 2.92Å
151	I	94.6	Very high	96.3	Very high	37 Å²	37	62.6 Å²	62.6	19%	0.19	33%	0.332	C	S	.	.			trans	-89.4	162.6	176.7	71.3	172.7	0	0	0	110.9	V111 V146 R149	V111-I151 HydrophobicContact CG1-CD1 3.42Å; V111-I151 VanDerWaalsContact CG1-CD1 3.42Å; V146-I151 HydrophobicContact CB-CG1 4.27Å; V146-I151 HydrophobicContact CG1-CG1 3.95Å; V146-I151 WeakPolarHBondContact CG1-O 3.17Å; V146-I151 HydrophobicContact CG2-CD1 4.23Å; V146-I151 HydrophobicContact CG2-CG1 4.21Å; V146-I151 PolarHBondContact O-N 3.32Å; R149-I151 VanDerWaalsContact C-N 3.3Å; R149-I151 HydrophobicContact CB-CG2 4.04Å; R149-I151 PolarHBondContact O-N 3.21Å
152	V	94.6	Very high	95.5	Very high	127 Å²	127	63.3 Å²	63.3	77%	0.77	34%	0.336	S	S	*	.			trans	-110.1	102.5	176	-179.7	0	0	0	0	109.1	P154	V152-P154 HydrophobicContact CG1-CG 4.42Å
153	L	96.7	Very high	94.4	Very high	12 Å²	12	69.7 Å²	69.7	6%	0.063	36%	0.364	C	S	.	.			trans	-132	86.6	175.5	-170.9	63.8	0	0	0	110	A119 I122 V146 M155	A119-L153 HydrophobicContact CB-CD1 4.24Å; I122-L153 HydrophobicContact CD1-CD2 4.11Å; I122-L153 HydrophobicContact CG1-CG 4.43Å; I122-L153 HydrophobicContact CG2-CD1 4.12Å; V146-L153 HydrophobicContact CG2-CB 4.17Å; V146-L153 HydrophobicContact CG2-CD2 4.49Å; L153-M155 PolarHBondContact O-N 2.88Å
154	P	97.2	Very high	93.1	Very high	70 Å²	70	66.2 Å²	66.2	46%	0.455	35%	0.349	S	S	.	.			trans	-57.5	132.4	173.7	-23.6	33.3	0	0	0	111.7	T120 S121 I122 V152	T120-P154 VanDerWaalsContact O-CD 3.25Å; T120-P154 WeakPolarHBondContact O-CD 3.2Å; S121-P154 VanDerWaalsContact CA-O 3.27Å; S121-P154 WeakPolarHBondContact CA-O 3.13Å; I122-P154 PolarHBondContact N-O 3.4Å; V152-P154 HydrophobicContact CG1-CG 4.42Å
155	M	97.7	Very high	91.5	Very high	54 Å²	54	66.6 Å²	66.6	27%	0.266	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.2	179.8	-60.3	-177.4	-78.7	0	0	109.9	I122 L124 L142 E143 L153	I122-M155 HydrophobicContact CD1-CG 3.87Å; I122-M155 HydrophobicContact CD1-SD 4.12Å; I122-M155 HydrophobicContact CG1-CB 4.32Å; I122-M155 HydrophobicContact CG1-CG 3.67Å; I122-M155 WeakPolarHBondContact O-CA 3.41Å; L124-M155 HydrophobicContact CD1-SD 4.39Å; L142-M155 HydrophobicContact CB-CE 4.15Å; L142-M155 HydrophobicContact CB-SD 3.73Å; L142-M155 HydrophobicContact CD1-SD 3.94Å; L142-M155 HydrophobicContact CG-SD 4.44Å; E143-M155 HydrophobicContact CB-CE 4.38Å; E143-M155 HydrophobicContact CG-CE 3.43Å; E143-M155 VanDerWaalsContact CG-CE 3.43Å; L153-M155 PolarHBondContact O-N 2.88Å
156	S	96.6	Very high	90.3	Very high	43 Å²	43	67.9 Å²	67.9	30%	0.301	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.5	165.8	69.5	0	0	0	0	109.8	I122 T123 L124	I122-S156 PolarHBondContact O-N 3.46Å; T123-S156 CarbonylContact C-O 3.6Å; T123-S156 WeakPolarHBondContact CA-O 3.32Å; T123-S156 WeakPolarHBondContact CB-OG 3.5Å; T123-S156 WeakPolarHBondContact CG2-OG 3.43Å; T123-S156 PolarHBondContact OG1-OG 3.28Å; L124-S156 PolarHBondContact N-O 3.26Å
157	V	96.5	Very high	89.6	Confident	60 Å²	60	67.9 Å²	67.9	36%	0.364	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.8	178.8	178.8	0	0	0	0	109.4	L124 L135 V139 F159	L124-V157 HydrophobicContact CB-CG2 4.42Å; L124-V157 HydrophobicContact CD1-CG2 4.36Å; L124-V157 CarbonylContact O-C 3.55Å; L124-V157 WeakPolarHBondContact O-CA 3.2Å; L135-V157 HydrophobicContact CD2-CG1 3.6Å; V139-V157 HydrophobicContact CG2-CG2 4.39Å; V157-F159 HydrophobicContact CG1-CE1 4.17Å; V157-F159 HydrophobicContact CG1-CE2 3.86Å; V157-F159 HydrophobicContact CG1-CZ 3.63Å
158	E	94.9	Very high	88.5	Confident	53 Å²	53	64 Å²	64	25%	0.248	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.9	175.9	-67.4	-60.1	154.5	0	0	109.9	T123 L124 M125 C126 Y185	T123-E158 HydrophobicContact CG2-CB 4.21Å; T123-E158 HydrophobicContact CG2-CG 3.58Å; L124-E158 PolarHBondContact O-N 3.48Å; M125-E158 CarbonylContact C-O 3.59Å; M125-E158 WeakPolarHBondContact CA-O 3.42Å; C126-E158 PolarHBondContact N-O 3.26Å; E158-Y185 HydrophobicContact CG-CE1 4.27Å
159	F	95	Very high	87.4	Confident	93 Å²	93	63 Å²	63	41%	0.408	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.5	-179.6	-61.7	-80.6	0	0	0	111	C126 L128 L135 V157	C126-F159 HydrophobicContact CB-CD1 3.75Å; C126-F159 HydrophobicContact CB-CE1 3.98Å; L128-F159 HydrophobicContact CD1-CB 3.73Å; L128-F159 HydrophobicContact CD1-CD1 3.94Å; L128-F159 HydrophobicContact CD1-CG 4.08Å; L128-F159 HydrophobicContact CD2-CD1 3.82Å; L128-F159 HydrophobicContact CD2-CE1 4.35Å; L128-F159 HydrophobicContact CG-CB 4.15Å; L128-F159 HydrophobicContact CG-CD1 3.89Å; L128-F159 HydrophobicContact CG-CG 4.42Å; L135-F159 HydrophobicContact CD2-CE1 3.63Å; L135-F159 HydrophobicContact CD2-CZ 4.09Å; V157-F159 HydrophobicContact CG1-CE1 4.17Å; V157-F159 HydrophobicContact CG1-CE2 3.86Å; V157-F159 HydrophobicContact CG1-CZ 3.63Å
160	V	93.5	Very high	86.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.2	171.9	64.8	0	0	0	0	108.8	M125 C126 V127 L128 V162 T177 L179 L206	M125-V160 HydrophobicContact CG-CB 4.29Å; M125-V160 HydrophobicContact CG-CG1 3.81Å; M125-V160 HydrophobicContact SD-CB 4.25Å; M125-V160 HydrophobicContact SD-CG1 4.01Å; C126-V160 PolarHBondContact O-N 3.05Å; V127-V160 CarbonylContact C-O 3.59Å; V127-V160 WeakPolarHBondContact CA-O 3.31Å; V127-V160 HydrophobicContact CG2-CG1 4.04Å; L128-V160 PolarHBondContact N-O 3.38Å; V160-V162 HydrophobicContact CG2-CG2 4.44Å; V160-T177 WeakPolarHBondContact CG2-O 3.23Å; V160-L179 HydrophobicContact CB-CD2 4.18Å; V160-L179 HydrophobicContact CB-CG 4.49Å; V160-L179 HydrophobicContact CG2-CD1 4.18Å; V160-L179 HydrophobicContact CG2-CD2 4.11Å; V160-L179 HydrophobicContact CG2-CG 3.9Å; V160-L206 HydrophobicContact CG1-CD1 4.36Å; V160-L206 HydrophobicContact CG1-CD2 3.96Å; V160-L206 HydrophobicContact CG2-CD1 4.34Å
161	R	89.5	Confident	84.4	Confident	111 Å²	111	59.7 Å²	59.7	42%	0.419	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.1	173.9	-178.4	-179.9	-156.3	171.6	5.3	109.5	L128 T177	L128-R161 HydrophobicContact CB-CB 4.49Å; R161-T177 WeakPolarHBondContact CB-OG1 3.35Å; R161-T177 PolarHBondContact N-O 2.75Å; R161-T177 PolarHBondContact O-N 2.87Å; R161-T177 PolarHBondContact O-OG1 3.43Å
162	V	83.1	Confident	82.9	Confident	16 Å²	16	63.5 Å²	63.5	10%	0.097	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.1	175	-168.6	0	0	0	0	109.4	V127 V160 P174 I175 L176 T202	V127-V162 HydrophobicContact CG1-CB 4.42Å; V127-V162 HydrophobicContact CG1-CG2 4.08Å; V160-V162 HydrophobicContact CG2-CG2 4.44Å; V162-P174 HydrophobicContact CG1-CB 3.44Å; V162-P174 VanDerWaalsContact CG1-CB 3.44Å; V162-I175 WeakPolarHBondContact CA-O 3.2Å; V162-L176 HydrophobicContact CB-CD2 4.35Å; V162-L176 HydrophobicContact CG1-CD2 4.11Å; V162-L176 HydrophobicContact CG2-CD2 3.44Å; V162-L176 VanDerWaalsContact CG2-CD2 3.44Å; V162-T202 HydrophobicContact CB-CG2 3.96Å; V162-T202 HydrophobicContact CG1-CG2 3.62Å; V162-T202 HydrophobicContact CG2-CG2 4.16Å
163	K	75.2	Confident	81.7	Confident	135 Å²	135	63.6 Å²	63.6	59%	0.587	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	114	171.7	-72.2	-175.5	179.3	178.7	0	109.4	P174 I175	K163-P174 WeakPolarHBondContact O-CA 3.49Å; K163-I175 PolarHBondContact N-O 3.45Å; K163-I175 PolarHBondContact O-N 3.33Å
164	S	68.9	Low	80.5	Confident	18 Å²	18	63.2 Å²	63.2	13%	0.126	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-30.2	-179.8	50.6	0	0	0	0	114.6	S170	S164-S170 VanDerWaalsContact O-CA 3.26Å; S164-S170 WeakPolarHBondContact O-CA 3.21Å
165	Y	64.6	Low	79.5	Confident	88 Å²	88	64.3 Å²	64.3	35%	0.345	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	145.9	-172.4	-70.5	-88.4	0	0	0	114.7	D198	Y165-D198 WeakPolarHBondContact OH-CB 3.34Å; Y165-D198 PolarHBondContact OH-OD2 3.29Å
166	V	73.4	Confident	78.9	Confident	46 Å²	46	63.5 Å²	63.5	28%	0.279	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.6	159.2	177.2	0	0	0	0	107.3	D168 V169 I171 V277	V166-D168 PolarHBondContact O-N 3.24Å; V166-V169 PolarHBondContact N-O 2.94Å; V166-V169 VanDerWaalsContact N-O 3.08Å; V166-V169 PolarHBondContact O-N 3.14Å; V166-I171 HydrophobicContact CB-CD1 3.81Å; V166-I171 HydrophobicContact CB-CG1 4.25Å; V166-I171 HydrophobicContact CG2-CD1 3.64Å; V166-I171 HydrophobicContact CG2-CG1 4.12Å; V166-V277 HydrophobicContact CG1-CG2 4.3Å
167	N	82.7	Confident	78.4	Confident	20 Å²	20	64.7 Å²	64.7	11%	0.107	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	-123	-169.4	-60.4	-51.1	0	0	0	111	N255 V277	N167-N255 WeakPolarHBondContact CA-OD1 3.48Å; N167-N255 PolarHBondContact N-OD1 3.43Å; N167-N255 VanDerWaalsContact N-OD1 3.09Å; N167-N255 PolarHBondContact OD1-ND2 3.33Å; N167-V277 PolarHBondContact ND2-O 3.35Å; N167-V277 WeakPolarHBondContact OD1-CG2 3.13Å; N167-V277 PolarHBondContact OD1-N 3.34Å; N167-V277 PolarHBondContact OD1-O 3.49Å
168	D	75.1	Confident	77.7	Confident	86 Å²	86	64.5 Å²	64.5	46%	0.46	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-0.6	180	64.6	-41.9	0	0	0	114	V166 F246 Y254	V166-D168 PolarHBondContact O-N 3.24Å; D168-F246 HydrophobicContact CB-CD2 3.92Å; D168-F246 HydrophobicContact CB-CE2 4.07Å; D168-Y254 HydrophobicContact CB-CE2 4.46Å
169	V	73.4	Confident	77.1	Confident	71 Å²	71	63.6 Å²	63.6	43%	0.43	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138	-171.8	-172.3	0	0	0	0	112.1	V166 I171	V166-V169 PolarHBondContact N-O 2.94Å; V166-V169 VanDerWaalsContact N-O 3.08Å; V166-V169 PolarHBondContact O-N 3.14Å; V169-I171 HydrophobicContact CB-CG2 3.92Å; V169-I171 HydrophobicContact CG1-CG2 3.61Å; V169-I171 PolarHBondContact O-N 2.91Å
170	S	68.9	Low	76.2	Confident	37 Å²	37	61.7 Å²	61.7	26%	0.259	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	94.7	166.4	59.8	0	0	0	0	110.5	S164	S164-S170 VanDerWaalsContact O-CA 3.26Å; S164-S170 WeakPolarHBondContact O-CA 3.21Å
171	I	59.9	Low	75.8	Confident	76 Å²	76	65.4 Å²	65.4	39%	0.39	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-14.9	-169.9	54.6	167.3	0	0	0	114.7	V166 V169	V166-I171 HydrophobicContact CB-CD1 3.81Å; V166-I171 HydrophobicContact CB-CG1 4.25Å; V166-I171 HydrophobicContact CG2-CD1 3.64Å; V166-I171 HydrophobicContact CG2-CG1 4.12Å; V169-I171 HydrophobicContact CB-CG2 3.92Å; V169-I171 HydrophobicContact CG1-CG2 3.61Å; V169-I171 PolarHBondContact O-N 2.91Å
172	H	64	Low	75.4	Confident	117 Å²	117	63.7 Å²	63.7	54%	0.542	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.4	-172.6	-61.1	-40.4	0	0	0	113
173	E	69	Low	75.5	Confident	129 Å²	129	66.6 Å²	66.6	60%	0.603	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	124.4	168.4	-179.9	55.6	-145.6	0	0	109.2	I175 K205	E173-I175 PolarHBondContact O-N 2.81Å; E173-K205 VanDerWaalsContact CG-NZ 3.31Å; E173-K205 WeakPolarHBondContact OE1-CD 3.29Å; E173-K205 WeakPolarHBondContact OE1-CE 3.16Å; E173-K205 IonicContact OE1-NZ 2.74Å; E173-K205 PolarHBondContact OE1-NZ 3.05Å
174	P	72.1	Confident	76.2	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.032	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126	-169.6	-20.4	28.3	0	0	0	112.1	V162 K163 K205	V162-P174 HydrophobicContact CG1-CB 3.44Å; V162-P174 VanDerWaalsContact CG1-CB 3.44Å; K163-P174 WeakPolarHBondContact O-CA 3.49Å; P174-K205 HydrophobicContact CB-CD 3.97Å; P174-K205 HydrophobicContact CG-CD 4.27Å; P174-K205 WeakPolarHBondContact O-CD 3.43Å; P174-K205 WeakPolarHBondContact O-CE 3.04Å; P174-K205 PolarHBondContact O-NZ 2.88Å
175	I	76.7	Confident	77.2	Confident	93 Å²	93	63.5 Å²	63.5	48%	0.477	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.4	177.9	-58.4	175.3	0	0	0	109	V162 K163 E173 T177	V162-I175 WeakPolarHBondContact CA-O 3.2Å; K163-I175 PolarHBondContact N-O 3.45Å; K163-I175 PolarHBondContact O-N 3.33Å; E173-I175 PolarHBondContact O-N 2.81Å; I175-T177 HydrophobicContact CG2-CG2 4.28Å
176	L	84.1	Confident	78.6	Confident	36 Å²	36	65.1 Å²	65.1	19%	0.188	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.9	175.6	-56.2	-179.6	0	0	0	110	V162 L179 K205 L206 H209	V162-L176 HydrophobicContact CB-CD2 4.35Å; V162-L176 HydrophobicContact CG1-CD2 4.11Å; V162-L176 HydrophobicContact CG2-CD2 3.44Å; V162-L176 VanDerWaalsContact CG2-CD2 3.44Å; L176-L179 HydrophobicContact CD1-CD1 4.39Å; L176-K205 HydrophobicContact CD1-CG 4.42Å; L176-L206 HydrophobicContact CD1-CD1 4.27Å; L176-L206 HydrophobicContact CD2-CB 4.41Å; L176-L206 HydrophobicContact CD2-CD1 4.24Å; L176-H209 HydrophobicContact CD1-CB 3.66Å
177	T	85.4	Confident	79.6	Confident	69 Å²	69	68.2 Å²	68.2	42%	0.423	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.1	174.2	50.4	0	0	0	0	110.2	V160 R161 I175	V160-T177 WeakPolarHBondContact CG2-O 3.23Å; R161-T177 WeakPolarHBondContact CB-OG1 3.35Å; R161-T177 PolarHBondContact N-O 2.75Å; R161-T177 PolarHBondContact O-N 2.87Å; R161-T177 PolarHBondContact O-OG1 3.43Å; I175-T177 HydrophobicContact CG2-CG2 4.28Å
178	G	83.4	Confident	80.2	Confident	55 Å²	55	70.3 Å²	70.3	57%	0.567	40%	0.398	S	S	*	.			trans	97.3	-3.2	-180	0	0	0	0	0	115	G180	G178-G180 PolarHBondContact O-N 2.61Å
179	L	81.3	Confident	81.2	Confident	35 Å²	35	66.7 Å²	66.7	18%	0.183	38%	0.378	C	S	.	.			trans	-82.1	107.4	168	-58.8	175.4	0	0	0	107.3	M125 V160 L176 Y185 L206 H209	M125-L179 HydrophobicContact CE-CD2 3.39Å; M125-L179 HydrophobicContact SD-CD2 3.82Å; V160-L179 HydrophobicContact CB-CD2 4.18Å; V160-L179 HydrophobicContact CB-CG 4.49Å; V160-L179 HydrophobicContact CG2-CD1 4.18Å; V160-L179 HydrophobicContact CG2-CD2 4.11Å; V160-L179 HydrophobicContact CG2-CG 3.9Å; L176-L179 HydrophobicContact CD1-CD1 4.39Å; L179-Y185 HydrophobicContact CD2-CE2 4.25Å; L179-L206 HydrophobicContact CD1-CD1 4.29Å; L179-H209 WeakPolarHBondContact CD1-CD2 3.3Å; L179-H209 VanDerWaalsContact CD1-NE2 3.33Å; L179-H209 WeakPolarHBondContact CD1-NE2 3.48Å
180	G	76.3	Confident	82.3	Confident	52 Å²	52	63.3 Å²	63.3	54%	0.536	36%	0.358	S	S	.	.			trans	-76.1	-120.9	-175.8	0	0	0	0	0	112.4	G178 P182	G178-G180 PolarHBondContact O-N 2.61Å; G180-P182 VanDerWaalsContact O-CD 3.32Å; G180-P182 WeakPolarHBondContact O-CD 3.43Å
181	D	84.2	Confident	83.7	Confident	78 Å²	78	61.6 Å²	61.6	42%	0.417	35%	0.345	S	S	.	.			trans	-70.9	121.1	176.8	178.9	6.1	0	0	0	110.7	S183 E184	D181-S183 PolarHBondContact O-N 3.11Å; D181-S183 VanDerWaalsContact O-N 3.09Å; D181-S183 WeakPolarHBondContact OD1-CB 3.48Å; D181-S183 PolarHBondContact OD1-N 2.94Å; D181-S183 PolarHBondContact OD1-OG 3.41Å; D181-S183 WeakPolarHBondContact OD2-CB 3.37Å; D181-S183 PolarHBondContact OD2-OG 2.89Å; D181-E184 HydrophobicContact CB-CG 4.12Å; D181-E184 WeakPolarHBondContact O-CB 3.21Å; D181-E184 PolarHBondContact O-N 2.85Å
182	P	81	Confident	85.4	Confident	76 Å²	76	58 Å²	58	49%	0.494	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-47.1	-34.9	170.9	-34.1	40.9	0	0	0	114.8	G180 E184 Y185 L213	G180-P182 VanDerWaalsContact O-CD 3.32Å; G180-P182 WeakPolarHBondContact O-CD 3.43Å; P182-E184 PolarHBondContact O-N 2.96Å; P182-Y185 PolarHBondContact O-N 2.86Å; P182-L213 HydrophobicContact CB-CD2 3.83Å; P182-L213 HydrophobicContact CG-CD2 4.31Å
183	S	86.5	Confident	87	Confident	76 Å²	76	52.4 Å²	52.4	53%	0.531	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24.3	-176.5	90.2	0	0	0	0	112.9	D181 Y185 K186	D181-S183 PolarHBondContact O-N 3.11Å; D181-S183 VanDerWaalsContact O-N 3.09Å; D181-S183 WeakPolarHBondContact OD1-CB 3.48Å; D181-S183 PolarHBondContact OD1-N 2.94Å; D181-S183 PolarHBondContact OD1-OG 3.41Å; D181-S183 WeakPolarHBondContact OD2-CB 3.37Å; D181-S183 PolarHBondContact OD2-OG 2.89Å; S183-Y185 PolarHBondContact O-N 2.98Å; S183-K186 PolarHBondContact O-N 3.03Å
184	E	89	Confident	88.2	Confident	85 Å²	85	46.6 Å²	46.6	40%	0.397	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-68.2	-21.6	179.2	-69.1	179.8	-161.4	0	0	112.6	D181 P182 K188	D181-E184 HydrophobicContact CB-CG 4.12Å; D181-E184 WeakPolarHBondContact O-CB 3.21Å; D181-E184 PolarHBondContact O-N 2.85Å; P182-E184 PolarHBondContact O-N 2.96Å; E184-K188 WeakPolarHBondContact O-CD 3.43Å; E184-K188 WeakPolarHBondContact O-CE 3.22Å; E184-K188 PolarHBondContact O-NZ 3.41Å
185	Y	91.2	Very high	89.3	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.012	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-98.7	-10.8	-177.7	-59.9	-76.4	0	0	0	113.4	M125 E158 L179 P182 S183 D187 K188 L213 T215	M125-Y185 HydrophobicContact CE-CD1 3.99Å; M125-Y185 HydrophobicContact CE-CE1 3.29Å; E158-Y185 HydrophobicContact CG-CE1 4.27Å; L179-Y185 HydrophobicContact CD2-CE2 4.25Å; P182-Y185 PolarHBondContact O-N 2.86Å; S183-Y185 PolarHBondContact O-N 2.98Å; Y185-D187 PolarHBondContact O-N 3.37Å; Y185-K188 WeakPolarHBondContact O-CB 3.39Å; Y185-K188 PolarHBondContact O-N 3.13Å; Y185-L213 HydrophobicContact CD2-CD1 3.62Å; Y185-L213 HydrophobicContact CE2-CD1 4.4Å; Y185-L213 HydrophobicContact CG-CD1 3.98Å; Y185-T215 WeakPolarHBondContact O-CG2 3.18Å
186	K	93.3	Very high	90.1	Very high	122 Å²	122	44.1 Å²	44.1	53%	0.53	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	134.1	-179.2	-174.5	-178.2	174.2	-176.5	0	111	S183 K188	S183-K186 PolarHBondContact O-N 3.03Å; K186-K188 PolarHBondContact O-N 2.77Å
187	D	94.2	Very high	90.5	Very high	111 Å²	111	42.5 Å²	42.5	59%	0.594	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	12.6	178.3	-59.8	-49.9	0	0	0	115	Y185 S214 K216	Y185-D187 PolarHBondContact O-N 3.37Å; D187-S214 PolarHBondContact N-O 3.43Å; D187-K216 VanDerWaalsContact C-CB 3.47Å; D187-K216 VanDerWaalsContact O-CB 3.31Å; D187-K216 WeakPolarHBondContact O-CB 3.24Å
188	K	95.3	Very high	90.7	Very high	65 Å²	65	40.2 Å²	40.2	28%	0.283	24%	0.238	S	C	.	.			trans	-90.2	149.1	175.6	-67.1	-166.3	178.1	161.8	0	112.5	E184 Y185 K186 K216 S217	E184-K188 WeakPolarHBondContact O-CD 3.43Å; E184-K188 WeakPolarHBondContact O-CE 3.22Å; E184-K188 PolarHBondContact O-NZ 3.41Å; Y185-K188 WeakPolarHBondContact O-CB 3.39Å; Y185-K188 PolarHBondContact O-N 3.13Å; K186-K188 PolarHBondContact O-N 2.77Å; K188-K216 WeakPolarHBondContact O-CB 3.48Å; K188-K216 PolarHBondContact O-N 2.79Å; K188-S217 PolarHBondContact O-N 2.71Å
189	N	97	Very high	90.7	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121	165.3	-56.7	-58.2	0	0	0	108.5	Y114 S121 I122 T123 S217	Y114-N189 HydrophobicContact CE1-CB 3.93Å; S121-N189 PolarHBondContact O-ND2 2.89Å; I122-N189 HydrophobicContact CG2-CB 4.33Å; T123-N189 PolarHBondContact N-O 2.69Å; N189-S217 WeakPolarHBondContact CB-OG 3.32Å; N189-S217 PolarHBondContact OD1-OG 2.81Å
190	V	96.4	Very high	91	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.9	-179.2	-177.4	0	0	0	0	109.3	T123 M125 V192 L210 T215 S217 V218 K219	T123-V190 CarbonylContact O-C 3.57Å; T123-V190 WeakPolarHBondContact O-CA 3.44Å; M125-V190 HydrophobicContact CB-CG1 3.93Å; M125-V190 HydrophobicContact CE-CG1 4.5Å; V190-V192 HydrophobicContact CG1-CG2 4.31Å; V190-L210 HydrophobicContact CG1-CD1 4.06Å; V190-T215 HydrophobicContact CG2-CG2 3.87Å; V190-S217 PolarHBondContact N-O 2.69Å; V190-V218 WeakPolarHBondContact O-CA 3.28Å; V190-K219 PolarHBondContact O-N 2.73Å
191	L	97	Very high	91.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.7	166.5	-178.3	64.2	0	0	0	107.8	I110 Y114 T123 L124 M125 V193 K219 A221	I110-L191 HydrophobicContact CD1-CD2 4.05Å; I110-L191 HydrophobicContact CG1-CD2 4.45Å; I110-L191 HydrophobicContact CG2-CD2 3.88Å; Y114-L191 HydrophobicContact CE2-CB 4.44Å; Y114-L191 HydrophobicContact CE2-CD2 4.48Å; T123-L191 PolarHBondContact O-N 3.24Å; L124-L191 CarbonylContact C-O 3.56Å; L124-L191 WeakPolarHBondContact CA-O 3.38Å; L124-L191 HydrophobicContact CD2-CB 3.95Å; L124-L191 HydrophobicContact CD2-CD2 3.74Å; L124-L191 HydrophobicContact CD2-CG 4.28Å; M125-L191 PolarHBondContact N-O 3Å; L191-V193 HydrophobicContact CG-CG2 4.42Å; L191-K219 CarbonylContact C-O 3.59Å; L191-K219 WeakPolarHBondContact CA-O 3.31Å; L191-K219 HydrophobicContact CD1-CB 3.64Å; L191-A221 HydrophobicContact CD1-CB 3.99Å; L191-A221 HydrophobicContact CD2-CB 4.29Å; L191-A221 HydrophobicContact CG-CB 4.26Å
192	V	96	Very high	91.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.5	171.7	-178.4	0	0	0	0	108.6	M125 V127 V190 I203 L206 L210 V218 K219 V220 A221	M125-V192 CarbonylContact O-C 3.57Å; M125-V192 WeakPolarHBondContact O-CA 3.11Å; V127-V192 HydrophobicContact CG2-CG1 3.87Å; V190-V192 HydrophobicContact CG1-CG2 4.31Å; V192-I203 HydrophobicContact CB-CD1 4.28Å; V192-I203 HydrophobicContact CG1-CD1 3.67Å; V192-L206 HydrophobicContact CG1-CD2 3.6Å; V192-L206 HydrophobicContact CG2-CD2 4.25Å; V192-L210 HydrophobicContact CG2-CD1 3.6Å; V192-V218 HydrophobicContact CG2-CG1 4.23Å; V192-K219 PolarHBondContact N-O 3.09Å; V192-V220 HydrophobicContact CB-CG2 4.08Å; V192-V220 HydrophobicContact CG2-CG2 4.46Å; V192-V220 CarbonylContact O-C 3.55Å; V192-V220 WeakPolarHBondContact O-CA 3.4Å; V192-A221 PolarHBondContact O-N 3.03Å
193	V	96.9	Very high	91.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.6	179.7	-177.5	0	0	0	0	108.1	M125 V127 F134 L135 L138 L191 A221	M125-V193 PolarHBondContact O-N 2.89Å; V127-V193 PolarHBondContact N-O 2.64Å; F134-V193 HydrophobicContact CD1-CG1 3.45Å; F134-V193 VanDerWaalsContact CD1-CG1 3.45Å; F134-V193 HydrophobicContact CE1-CG1 3.47Å; F134-V193 VanDerWaalsContact CE1-CG1 3.47Å; F134-V193 HydrophobicContact CG-CG1 4.15Å; F134-V193 HydrophobicContact CZ-CG1 4.15Å; L135-V193 HydrophobicContact CB-CG1 4.1Å; L135-V193 HydrophobicContact CD1-CB 4.21Å; L135-V193 HydrophobicContact CD1-CG1 4.24Å; L135-V193 HydrophobicContact CD1-CG2 3.96Å; L138-V193 HydrophobicContact CD2-CG1 4.23Å; L138-V193 HydrophobicContact CD2-CG2 4.04Å; L191-V193 HydrophobicContact CG-CG2 4.42Å; V193-A221 WeakPolarHBondContact CA-O 3.37Å
194	E	94.1	Very high	91.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.4	-177.8	-169.1	169.7	-148.5	0	0	111	V127 F134 I197 I203 A221 S222 L223	V127-E194 HydrophobicContact CB-CG 4.38Å; V127-E194 HydrophobicContact CG2-CB 4.28Å; V127-E194 HydrophobicContact CG2-CG 4.4Å; F134-E194 WeakPolarHBondContact CD1-O 3.49Å; F134-E194 WeakPolarHBondContact CE1-O 3.41Å; E194-I197 WeakPolarHBondContact OE2-CG1 3.22Å; E194-I203 WeakPolarHBondContact OE2-CB 3.5Å; E194-A221 PolarHBondContact N-O 2.6Å; E194-S222 VanDerWaalsContact O-CA 3.31Å; E194-S222 WeakPolarHBondContact O-CA 3.33Å; E194-L223 PolarHBondContact O-N 3.09Å
195	D	95.2	Very high	91.8	Very high	22 Å²	22	35 Å²	35	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-42.8	177.5	55.2	-23.8	0	0	0	112.6	G130 L223 L224 L252	G130-D195 VanDerWaalsContact CA-OD2 3.24Å; G130-D195 WeakPolarHBondContact CA-OD2 3.43Å; D195-L223 WeakPolarHBondContact O-CB 3.46Å; D195-L224 PolarHBondContact O-N 3.49Å; D195-L224 VanDerWaalsContact O-N 3.09Å; D195-L252 HydrophobicContact CB-CD2 3.93Å; D195-L252 HydrophobicContact CB-CG 4.46Å; D195-L252 WeakPolarHBondContact OD2-CD2 3.43Å
196	I	94.2	Very high	91.7	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	128.6	-178	-172.2	163.9	0	0	0	113	L224 K226 V247 L252	I196-L224 WeakPolarHBondContact CA-O 3.2Å; I196-L224 HydrophobicContact CB-CB 4.06Å; I196-L224 HydrophobicContact CD1-CB 4.18Å; I196-L224 HydrophobicContact CD1-CD1 3.98Å; I196-L224 HydrophobicContact CG1-CB 3.8Å; I196-L224 HydrophobicContact CG1-CD1 4.41Å; I196-K226 HydrophobicContact CD1-CD 4.28Å; I196-K226 HydrophobicContact CD1-CG 3.93Å; I196-K226 HydrophobicContact CG1-CG 4.31Å; I196-V247 HydrophobicContact CD1-CG2 3.63Å; I196-L252 HydrophobicContact CB-CD2 3.87Å; I196-L252 HydrophobicContact CG2-CD2 3.5Å; I196-L252 VanDerWaalsContact CG2-CD2 3.5Å
197	I	92	Very high	91.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114	167.2	-66.9	169.8	0	0	0	108.7	E194 I203 V220 L224 V225 K226 P236	E194-I197 WeakPolarHBondContact OE2-CG1 3.22Å; I197-I203 HydrophobicContact CD1-CG2 4.39Å; I197-I203 HydrophobicContact CG1-CG2 4.42Å; I197-V220 HydrophobicContact CD1-CG1 4.23Å; I197-L224 PolarHBondContact N-O 3.45Å; I197-V225 HydrophobicContact CB-CG2 4.21Å; I197-V225 HydrophobicContact CG2-CG2 4.16Å; I197-V225 CarbonylContact O-C 3.59Å; I197-V225 WeakPolarHBondContact O-CA 3.33Å; I197-K226 PolarHBondContact O-N 2.92Å; I197-P236 HydrophobicContact CD1-CB 4.34Å; I197-P236 HydrophobicContact CD1-CG 3.34Å
198	D	89.2	Confident	91.3	Very high	21 Å²	21	28.5 Å²	28.5	11%	0.112	15%	0.152	C	C	.	.	S	Bend	trans	-97.2	-108.8	174.2	-165.7	-21	0	0	0	109.4	Y165 G200 K226 T228	Y165-D198 WeakPolarHBondContact OH-CB 3.34Å; Y165-D198 PolarHBondContact OH-OD2 3.29Å; D198-G200 PolarHBondContact O-N 3.02Å; D198-G200 VanDerWaalsContact O-N 3.09Å; D198-K226 HydrophobicContact CB-CD 4.26Å; D198-K226 IonicContact OD2-NZ 3.37Å; D198-K226 PolarHBondContact OD2-NZ 3.02Å; D198-T228 WeakPolarHBondContact OD1-CG2 3.42Å
199	T	84.9	Confident	91.1	Very high	63 Å²	63	28.6 Å²	28.6	39%	0.387	15%	0.153	S	C	.	.	S	Bend	trans	-65.3	-9.9	175.9	63.8	0	0	0	0	115	K201	T199-K201 VanDerWaalsContact C-N 3.26Å; T199-K201 PolarHBondContact O-N 3.46Å; T199-K201 WeakPolarHBondContact OG1-CG 3.37Å
200	G	86.3	Confident	90.8	Very high	5 Å²	5	28.1 Å²	28.1	5%	0.052	15%	0.151	C	C	.	.	S	Bend	trans	78.6	-6.3	-175.9	0	0	0	0	0	115.8	D198 T202 I203 T204 N232	D198-G200 PolarHBondContact O-N 3.02Å; D198-G200 VanDerWaalsContact O-N 3.09Å; G200-T202 PolarHBondContact O-N 3.32Å; G200-I203 VanDerWaalsContact O-CG2 3.29Å; G200-I203 WeakPolarHBondContact O-CG2 3.49Å; G200-I203 PolarHBondContact O-N 3.37Å; G200-T204 WeakPolarHBondContact O-CB 3.45Å; G200-T204 PolarHBondContact O-N 3.35Å; G200-T204 PolarHBondContact O-OG1 3.22Å; G200-N232 WeakPolarHBondContact CA-ND2 3.29Å
201	K	84.9	Confident	90.5	Very high	130 Å²	130	32.8 Å²	32.8	57%	0.565	18%	0.175	S	C	*	.	H	α-helix	trans	-58.7	-43.9	-177.7	-68.1	178.9	-177.5	178	0	113.3	T199 K205	T199-K201 VanDerWaalsContact C-N 3.26Å; T199-K201 PolarHBondContact O-N 3.46Å; T199-K201 WeakPolarHBondContact OG1-CG 3.37Å; K201-K205 WeakPolarHBondContact O-CB 3.43Å; K201-K205 PolarHBondContact O-N 2.78Å; K201-K205 VanDerWaalsContact O-N 3.14Å
202	T	85.2	Confident	90.2	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-54.7	179.2	-56	0	0	0	0	111	V162 G200 K205 L206	V162-T202 HydrophobicContact CB-CG2 3.96Å; V162-T202 HydrophobicContact CG1-CG2 3.62Å; V162-T202 HydrophobicContact CG2-CG2 4.16Å; G200-T202 PolarHBondContact O-N 3.32Å; T202-K205 PolarHBondContact O-N 3.01Å; T202-L206 PolarHBondContact O-N 3.11Å; T202-L206 VanDerWaalsContact O-N 3.07Å
203	I	88.5	Confident	90	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-40.7	-175.5	-166.5	64.6	0	0	0	112.1	V192 E194 I197 G200 K205 L206 I207 V220	V192-I203 HydrophobicContact CB-CD1 4.28Å; V192-I203 HydrophobicContact CG1-CD1 3.67Å; E194-I203 WeakPolarHBondContact OE2-CB 3.5Å; I197-I203 HydrophobicContact CD1-CG2 4.39Å; I197-I203 HydrophobicContact CG1-CG2 4.42Å; G200-I203 VanDerWaalsContact O-CG2 3.29Å; G200-I203 WeakPolarHBondContact O-CG2 3.49Å; G200-I203 PolarHBondContact O-N 3.37Å; I203-K205 VanDerWaalsContact C-N 3.28Å; I203-K205 PolarHBondContact O-N 3Å; I203-L206 PolarHBondContact O-N 2.75Å; I203-L206 VanDerWaalsContact O-N 3.16Å; I203-I207 HydrophobicContact CD1-CG1 4.48Å; I203-I207 HydrophobicContact CG1-CD1 3.89Å; I203-I207 HydrophobicContact CG1-CG1 4.24Å; I203-I207 VanDerWaalsContact O-CG1 3.31Å; I203-I207 WeakPolarHBondContact O-CG1 3.07Å; I203-I207 PolarHBondContact O-N 3.03Å; I203-V220 HydrophobicContact CD1-CB 4.38Å; I203-V220 HydrophobicContact CD1-CG1 3.74Å; I203-V220 HydrophobicContact CD1-CG2 3.68Å; I203-V220 HydrophobicContact CG1-CG1 3.96Å; I203-V220 HydrophobicContact CG1-CG2 3.85Å
204	T	88.1	Confident	89.7	Confident	73 Å²	73	41.2 Å²	41.2	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-41.6	176.6	-62.6	0	0	0	0	111.6	G200 S208	G200-T204 WeakPolarHBondContact O-CB 3.45Å; G200-T204 PolarHBondContact O-N 3.35Å; G200-T204 PolarHBondContact O-OG1 3.22Å; T204-S208 WeakPolarHBondContact O-CB 3.08Å; T204-S208 PolarHBondContact O-N 3.36Å; T204-S208 PolarHBondContact O-OG 3.24Å
205	K	87.2	Confident	89.8	Confident	60 Å²	60	41.9 Å²	41.9	26%	0.261	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-44.1	176.4	-174.5	177.4	-170.1	151.5	0	112.1	E173 P174 L176 K201 T202 I203 S208 H209	E173-K205 VanDerWaalsContact CG-NZ 3.31Å; E173-K205 WeakPolarHBondContact OE1-CD 3.29Å; E173-K205 WeakPolarHBondContact OE1-CE 3.16Å; E173-K205 IonicContact OE1-NZ 2.74Å; E173-K205 PolarHBondContact OE1-NZ 3.05Å; P174-K205 HydrophobicContact CB-CD 3.97Å; P174-K205 HydrophobicContact CG-CD 4.27Å; P174-K205 WeakPolarHBondContact O-CD 3.43Å; P174-K205 WeakPolarHBondContact O-CE 3.04Å; P174-K205 PolarHBondContact O-NZ 2.88Å; L176-K205 HydrophobicContact CD1-CG 4.42Å; K201-K205 WeakPolarHBondContact O-CB 3.43Å; K201-K205 PolarHBondContact O-N 2.78Å; K201-K205 VanDerWaalsContact O-N 3.14Å; T202-K205 PolarHBondContact O-N 3.01Å; I203-K205 VanDerWaalsContact C-N 3.28Å; I203-K205 PolarHBondContact O-N 3Å; K205-S208 PolarHBondContact O-N 3.26Å; K205-H209 PolarHBondContact O-N 2.98Å
206	L	89.9	Confident	89.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-45.6	179.5	179.4	56.3	0	0	0	111.5	M125 V127 V160 L176 L179 V192 T202 I203 S208 H209 L210	M125-L206 HydrophobicContact SD-CD1 4.12Å; V127-L206 HydrophobicContact CG2-CD2 3.83Å; V160-L206 HydrophobicContact CG1-CD1 4.36Å; V160-L206 HydrophobicContact CG1-CD2 3.96Å; V160-L206 HydrophobicContact CG2-CD1 4.34Å; L176-L206 HydrophobicContact CD1-CD1 4.27Å; L176-L206 HydrophobicContact CD2-CB 4.41Å; L176-L206 HydrophobicContact CD2-CD1 4.24Å; L179-L206 HydrophobicContact CD1-CD1 4.29Å; V192-L206 HydrophobicContact CG1-CD2 3.6Å; V192-L206 HydrophobicContact CG2-CD2 4.25Å; T202-L206 PolarHBondContact O-N 3.11Å; T202-L206 VanDerWaalsContact O-N 3.07Å; I203-L206 PolarHBondContact O-N 2.75Å; I203-L206 VanDerWaalsContact O-N 3.16Å; L206-S208 PolarHBondContact O-N 3.26Å; L206-H209 PolarHBondContact O-N 3.41Å; L206-L210 HydrophobicContact CD1-CD1 4.33Å; L206-L210 HydrophobicContact CD1-CG 4.31Å; L206-L210 HydrophobicContact CG-CD1 4.2Å; L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.31Å
207	I	90.5	Very high	89.8	Confident	28 Å²	28	46.8 Å²	46.8	14%	0.144	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-49.7	174.9	-67	168.2	0	0	0	110.1	I203 H209 L210 D211 V218 V220 Y234	I203-I207 HydrophobicContact CD1-CG1 4.48Å; I203-I207 HydrophobicContact CG1-CD1 3.89Å; I203-I207 HydrophobicContact CG1-CG1 4.24Å; I203-I207 VanDerWaalsContact O-CG1 3.31Å; I203-I207 WeakPolarHBondContact O-CG1 3.07Å; I203-I207 PolarHBondContact O-N 3.03Å; I207-H209 PolarHBondContact O-N 3.4Å; I207-L210 PolarHBondContact O-N 2.9Å; I207-D211 PolarHBondContact O-N 3.45Å; I207-V218 HydrophobicContact CG1-CG1 4.24Å; I207-V220 HydrophobicContact CD1-CG2 3.91Å; I207-V220 HydrophobicContact CG1-CG2 4.19Å; I207-Y234 HydrophobicContact CD1-CE1 4.12Å; I207-Y234 HydrophobicContact CD1-CE2 4.21Å
208	S	89.5	Confident	89.9	Confident	71 Å²	71	48 Å²	48	50%	0.497	27%	0.268	S	S	.	.	H	α-helix	trans	-57.9	-36.6	179.6	-57.7	0	0	0	0	112.3	T204 K205 L206 S212	T204-S208 WeakPolarHBondContact O-CB 3.08Å; T204-S208 PolarHBondContact O-N 3.36Å; T204-S208 PolarHBondContact O-OG 3.24Å; K205-S208 PolarHBondContact O-N 3.26Å; L206-S208 PolarHBondContact O-N 3.26Å; S208-S212 PolarHBondContact O-N 2.93Å
209	H	89.8	Confident	90.1	Very high	67 Å²	67	50.1 Å²	50.1	31%	0.31	28%	0.276	S	S	.	.	H	α-helix	trans	-69.4	-46.4	174.8	-177.1	79.6	0	0	0	111.7	L176 L179 K205 L206 I207 D211 S212 L213	L176-H209 HydrophobicContact CD1-CB 3.66Å; L179-H209 WeakPolarHBondContact CD1-CD2 3.3Å; L179-H209 VanDerWaalsContact CD1-NE2 3.33Å; L179-H209 WeakPolarHBondContact CD1-NE2 3.48Å; K205-H209 PolarHBondContact O-N 2.98Å; L206-H209 PolarHBondContact O-N 3.41Å; I207-H209 PolarHBondContact O-N 3.4Å; H209-D211 VanDerWaalsContact C-N 3.35Å; H209-D211 PolarHBondContact O-N 2.88Å; H209-S212 WeakPolarHBondContact O-CB 3.16Å; H209-S212 PolarHBondContact O-N 2.86Å; H209-S212 VanDerWaalsContact O-N 3.11Å; H209-S212 PolarHBondContact O-OG 3.22Å; H209-L213 WeakPolarHBondContact O-CG 3.42Å
210	L	91.8	Very high	90.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-41.1	177.6	-70.3	171.8	0	0	0	112.6	M125 V190 V192 L206 I207 S212 L213 T215 V218	M125-L210 HydrophobicContact CE-CD2 3.83Å; M125-L210 HydrophobicContact SD-CD1 4.2Å; M125-L210 HydrophobicContact SD-CD2 4Å; V190-L210 HydrophobicContact CG1-CD1 4.06Å; V192-L210 HydrophobicContact CG2-CD1 3.6Å; L206-L210 HydrophobicContact CD1-CD1 4.33Å; L206-L210 HydrophobicContact CD1-CG 4.31Å; L206-L210 HydrophobicContact CG-CD1 4.2Å; L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.31Å; I207-L210 PolarHBondContact O-N 2.9Å; L210-S212 PolarHBondContact O-N 2.96Å; L210-L213 HydrophobicContact CD2-CD1 4.29Å; L210-L213 WeakPolarHBondContact O-CA 3.4Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 3.35Å; L210-T215 HydrophobicContact CB-CG2 4.41Å; L210-T215 PolarHBondContact O-OG1 3.25Å; L210-V218 HydrophobicContact CB-CG2 3.85Å; L210-V218 HydrophobicContact CD1-CG1 3.87Å; L210-V218 HydrophobicContact CD1-CG2 4.36Å
211	D	89.8	Confident	91	Very high	97 Å²	97	46.9 Å²	46.9	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-35.4	175.6	-70.5	-21.8	0	0	0	111.3	I207 H209 L213 S214	I207-D211 PolarHBondContact O-N 3.45Å; H209-D211 VanDerWaalsContact C-N 3.35Å; H209-D211 PolarHBondContact O-N 2.88Å; D211-L213 PolarHBondContact O-N 2.9Å; D211-S214 PolarHBondContact O-N 3.32Å
212	S	90.7	Very high	91.6	Very high	83 Å²	83	40.7 Å²	40.7	58%	0.58	23%	0.229	S	C	*	.	H	α-helix	trans	-68.1	-16.4	175.7	82.8	0	0	0	0	113.9	S208 H209 L210 S214	S208-S212 PolarHBondContact O-N 2.93Å; H209-S212 WeakPolarHBondContact O-CB 3.16Å; H209-S212 PolarHBondContact O-N 2.86Å; H209-S212 VanDerWaalsContact O-N 3.11Å; H209-S212 PolarHBondContact O-OG 3.22Å; L210-S212 PolarHBondContact O-N 2.96Å; S212-S214 VanDerWaalsContact C-N 3.34Å
213	L	91.5	Very high	92.1	Very high	19 Å²	19	40 Å²	40	10%	0.099	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.8	179	-49.4	-179.2	0	0	0	113.1	P182 Y185 H209 L210 D211 T215	P182-L213 HydrophobicContact CB-CD2 3.83Å; P182-L213 HydrophobicContact CG-CD2 4.31Å; Y185-L213 HydrophobicContact CD2-CD1 3.62Å; Y185-L213 HydrophobicContact CE2-CD1 4.4Å; Y185-L213 HydrophobicContact CG-CD1 3.98Å; H209-L213 WeakPolarHBondContact O-CG 3.42Å; L210-L213 HydrophobicContact CD2-CD1 4.29Å; L210-L213 WeakPolarHBondContact O-CA 3.4Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 3.35Å; D211-L213 PolarHBondContact O-N 2.9Å; L213-T215 VanDerWaalsContact C-N 3.3Å; L213-T215 PolarHBondContact O-N 3.04Å
214	S	91.2	Very high	92.5	Very high	76 Å²	76	39.9 Å²	39.9	53%	0.531	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	41.3	-176.9	-52	0	0	0	0	112.9	D187 D211 S212	D187-S214 PolarHBondContact N-O 3.43Å; D211-S214 PolarHBondContact O-N 3.32Å; S212-S214 VanDerWaalsContact C-N 3.34Å
215	T	94.6	Very high	92.7	Very high	21 Å²	21	37.2 Å²	37.2	13%	0.129	21%	0.207	C	C	.	.			trans	-61.6	146	169.9	48.1	0	0	0	0	110.8	Y185 V190 L210 L213 V218	Y185-T215 WeakPolarHBondContact O-CG2 3.18Å; V190-T215 HydrophobicContact CG2-CG2 3.87Å; L210-T215 HydrophobicContact CB-CG2 4.41Å; L210-T215 PolarHBondContact O-OG1 3.25Å; L213-T215 VanDerWaalsContact C-N 3.3Å; L213-T215 PolarHBondContact O-N 3.04Å; T215-V218 HydrophobicContact CG2-CG2 4.43Å; T215-V218 VanDerWaalsContact OG1-CG2 3.24Å; T215-V218 WeakPolarHBondContact OG1-CG2 3.47Å
216	K	95.2	Very high	93	Very high	121 Å²	121	35.3 Å²	35.3	53%	0.526	20%	0.199	S	C	.	.	S	Bend	trans	-68.6	-40.9	178.1	174.1	175.4	176.6	177.5	0	112.2	D187 K188	D187-K216 VanDerWaalsContact C-CB 3.47Å; D187-K216 VanDerWaalsContact O-CB 3.31Å; D187-K216 WeakPolarHBondContact O-CB 3.24Å; K188-K216 WeakPolarHBondContact O-CB 3.48Å; K188-K216 PolarHBondContact O-N 2.79Å
217	S	94.8	Very high	93	Very high	28 Å²	28	38 Å²	38	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	146	173.6	63.5	0	0	0	0	110.1	K188 N189 V190	K188-S217 PolarHBondContact O-N 2.71Å; N189-S217 WeakPolarHBondContact CB-OG 3.32Å; N189-S217 PolarHBondContact OD1-OG 2.81Å; V190-S217 PolarHBondContact N-O 2.69Å
218	V	94.2	Very high	92.8	Very high	28 Å²	28	37.6 Å²	37.6	17%	0.17	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.8	171.5	-176.4	0	0	0	0	108.3	V190 V192 I207 L210 T215	V190-V218 WeakPolarHBondContact O-CA 3.28Å; V192-V218 HydrophobicContact CG2-CG1 4.23Å; I207-V218 HydrophobicContact CG1-CG1 4.24Å; L210-V218 HydrophobicContact CB-CG2 3.85Å; L210-V218 HydrophobicContact CD1-CG1 3.87Å; L210-V218 HydrophobicContact CD1-CG2 4.36Å; T215-V218 HydrophobicContact CG2-CG2 4.43Å; T215-V218 VanDerWaalsContact OG1-CG2 3.24Å; T215-V218 WeakPolarHBondContact OG1-CG2 3.47Å
219	K	94.2	Very high	92.2	Very high	64 Å²	64	40 Å²	40	28%	0.278	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	161.7	171.2	-75.2	-69.2	-169.2	159.1	0	109.3	Y113 V190 L191 V192	Y113-K219 HydrophobicContact CE1-CD 4.38Å; Y113-K219 HydrophobicContact CE1-CG 3.91Å; Y113-K219 WeakPolarHBondContact OH-CE 3.38Å; V190-K219 PolarHBondContact O-N 2.73Å; L191-K219 CarbonylContact C-O 3.59Å; L191-K219 WeakPolarHBondContact CA-O 3.31Å; L191-K219 HydrophobicContact CD1-CB 3.64Å; V192-K219 PolarHBondContact N-O 3.09Å
220	V	94.5	Very high	91.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124	-179.8	177.6	0	0	0	0	108	V192 I197 I203 I207 Y234 P236 D237	V192-V220 HydrophobicContact CB-CG2 4.08Å; V192-V220 HydrophobicContact CG2-CG2 4.46Å; V192-V220 CarbonylContact O-C 3.55Å; V192-V220 WeakPolarHBondContact O-CA 3.4Å; I197-V220 HydrophobicContact CD1-CG1 4.23Å; I203-V220 HydrophobicContact CD1-CB 4.38Å; I203-V220 HydrophobicContact CD1-CG1 3.74Å; I203-V220 HydrophobicContact CD1-CG2 3.68Å; I203-V220 HydrophobicContact CG1-CG1 3.96Å; I203-V220 HydrophobicContact CG1-CG2 3.85Å; I207-V220 HydrophobicContact CD1-CG2 3.91Å; I207-V220 HydrophobicContact CG1-CG2 4.19Å; V220-Y234 HydrophobicContact CB-CE1 3.88Å; V220-Y234 WeakPolarHBondContact CB-OH 3.24Å; V220-Y234 HydrophobicContact CG1-CE1 4.35Å; V220-Y234 HydrophobicContact CG2-CE1 3.85Å; V220-Y234 WeakPolarHBondContact CG2-OH 3.24Å; V220-P236 HydrophobicContact CB-CB 3.85Å; V220-P236 HydrophobicContact CG1-CB 3.79Å; V220-P236 HydrophobicContact CG1-CG 4.36Å; V220-P236 WeakPolarHBondContact O-CB 3.35Å; V220-D237 PolarHBondContact O-N 3.33Å
221	A	95.9	Very high	90.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.5	164	0	0	0	0	0	107.9	M106 I110 F134 L138 L191 V192 V193 E194 D237	M106-A221 HydrophobicContact CE-CB 4.49Å; I110-A221 HydrophobicContact CD1-CB 4.3Å; F134-A221 HydrophobicContact CZ-CB 4.19Å; L138-A221 HydrophobicContact CD2-CB 4.34Å; L191-A221 HydrophobicContact CD1-CB 3.99Å; L191-A221 HydrophobicContact CD2-CB 4.29Å; L191-A221 HydrophobicContact CG-CB 4.26Å; V192-A221 PolarHBondContact O-N 3.03Å; V193-A221 WeakPolarHBondContact CA-O 3.37Å; E194-A221 PolarHBondContact N-O 2.6Å; A221-D237 CarbonylContact C-O 3.41Å; A221-D237 VanDerWaalsContact CA-O 3.29Å; A221-D237 WeakPolarHBondContact CA-O 3.4Å
222	S	95.5	Very high	89	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.1	174.5	-171.1	0	0	0	0	110.5	E194 L224 D237 V238 G239	E194-S222 VanDerWaalsContact O-CA 3.31Å; E194-S222 WeakPolarHBondContact O-CA 3.33Å; S222-L224 PolarHBondContact OG-O 3.02Å; S222-D237 PolarHBondContact N-O 3.38Å; S222-V238 WeakPolarHBondContact O-CA 3.45Å; S222-G239 PolarHBondContact O-N 3.02Å
223	L	97.3	Very high	87.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-47	173.8	174.7	66.8	0	0	0	110.3	I99 L103 F134 E194 D195 G239 F240 Y250 I264	I99-L223 HydrophobicContact CG2-CD1 3.9Å; L103-L223 HydrophobicContact CD2-CD1 4.07Å; F134-L223 HydrophobicContact CB-CB 4.48Å; F134-L223 HydrophobicContact CB-CD2 4.49Å; F134-L223 HydrophobicContact CD1-CB 3.79Å; F134-L223 HydrophobicContact CD2-CB 4.27Å; F134-L223 HydrophobicContact CE1-CB 4.03Å; F134-L223 VanDerWaalsContact CE1-N 3.35Å; F134-L223 HydrophobicContact CG-CB 3.92Å; F134-L223 HydrophobicContact CZ-CB 4.4Å; E194-L223 PolarHBondContact O-N 3.09Å; D195-L223 WeakPolarHBondContact O-CB 3.46Å; L223-G239 CarbonylContact O-C 3.49Å; L223-G239 WeakPolarHBondContact O-CA 3.46Å; L223-G239 PolarHBondContact O-N 3.42Å; L223-F240 HydrophobicContact CD1-CD2 4.05Å; L223-F240 HydrophobicContact CD1-CE2 4.04Å; L223-F240 PolarHBondContact O-N 3.42Å; L223-Y250 HydrophobicContact CD2-CD1 3.37Å; L223-Y250 HydrophobicContact CD2-CE1 3.5Å; L223-I264 HydrophobicContact CD2-CD1 3.96Å
224	L	96.1	Very high	86.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146	-177.6	-56.2	-177	0	0	0	112.2	I94 D195 I196 I197 S222 F240 V242 V247 L252 I264	I94-L224 HydrophobicContact CD1-CD2 3.86Å; D195-L224 PolarHBondContact O-N 3.49Å; D195-L224 VanDerWaalsContact O-N 3.09Å; I196-L224 WeakPolarHBondContact CA-O 3.2Å; I196-L224 HydrophobicContact CB-CB 4.06Å; I196-L224 HydrophobicContact CD1-CB 4.18Å; I196-L224 HydrophobicContact CD1-CD1 3.98Å; I196-L224 HydrophobicContact CG1-CB 3.8Å; I196-L224 HydrophobicContact CG1-CD1 4.41Å; I197-L224 PolarHBondContact N-O 3.45Å; S222-L224 PolarHBondContact OG-O 3.02Å; L224-F240 CarbonylContact C-O 3.53Å; L224-F240 WeakPolarHBondContact CA-O 3.42Å; L224-F240 HydrophobicContact CD2-CB 3.81Å; L224-F240 HydrophobicContact CD2-CD2 4.17Å; L224-F240 HydrophobicContact CD2-CG 4.35Å; L224-V242 HydrophobicContact CB-CG2 4.43Å; L224-V242 HydrophobicContact CD2-CG1 3.97Å; L224-V247 HydrophobicContact CD1-CG2 3.93Å; L224-L252 HydrophobicContact CD1-CD1 3.61Å; L224-I264 HydrophobicContact CD1-CD1 4.12Å; L224-I264 HydrophobicContact CD1-CG2 4.27Å; L224-I264 HydrophobicContact CD2-CD1 3.96Å; L224-I264 HydrophobicContact CG-CD1 4.35Å
225	V	93.5	Very high	85.2	Confident	17 Å²	17	52.3 Å²	52.3	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.3	160.3	67.5	0	0	0	0	109.3	I197 V238 F240 E241 V242	I197-V225 HydrophobicContact CB-CG2 4.21Å; I197-V225 HydrophobicContact CG2-CG2 4.16Å; I197-V225 CarbonylContact O-C 3.59Å; I197-V225 WeakPolarHBondContact O-CA 3.33Å; V225-V238 HydrophobicContact CB-CG1 4.19Å; V225-V238 HydrophobicContact CB-CG2 4.31Å; V225-V238 HydrophobicContact CG1-CG1 3.64Å; V225-V238 HydrophobicContact CG1-CG2 4.23Å; V225-F240 PolarHBondContact N-O 3.43Å; V225-E241 HydrophobicContact CG1-CB 3.77Å; V225-E241 HydrophobicContact CG1-CG 3.95Å; V225-E241 WeakPolarHBondContact O-CA 3.32Å; V225-V242 PolarHBondContact O-N 3.04Å
226	K	92.5	Very high	84.3	Confident	19 Å²	19	52.1 Å²	52.1	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	143.4	174.6	-70.1	-171.1	-173.3	168	0	110.6	I196 I197 D198 T228 V242 R245	I196-K226 HydrophobicContact CD1-CD 4.28Å; I196-K226 HydrophobicContact CD1-CG 3.93Å; I196-K226 HydrophobicContact CG1-CG 4.31Å; I197-K226 PolarHBondContact O-N 2.92Å; D198-K226 HydrophobicContact CB-CD 4.26Å; D198-K226 IonicContact OD2-NZ 3.37Å; D198-K226 PolarHBondContact OD2-NZ 3.02Å; K226-T228 VanDerWaalsContact C-N 3.31Å; K226-T228 HydrophobicContact CB-CG2 3.9Å; K226-T228 PolarHBondContact O-N 3.47Å; K226-V242 HydrophobicContact CG-CG2 4.22Å; K226-R245 WeakPolarHBondContact CE-O 3.21Å
227	R	90.7	Very high	83.7	Confident	56 Å²	56	49.2 Å²	49.2	21%	0.211	25%	0.254	C	S	.	.			trans	-79	78.2	167.1	-73.6	-176.2	-76.2	139.4	-2.7	111.3	I67 E68 D69 E241 V242 N244	I67-R227 PolarHBondContact O-NH2 2.93Å; E68-R227 VanDerWaalsContact C-NH2 3.26Å; D69-R227 VanDerWaalsContact CG-CZ 3.44Å; D69-R227 VanDerWaalsContact CG-NH2 3.26Å; D69-R227 IonicContact OD1-CZ 2.66Å; D69-R227 IonicContact OD1-NE 2.89Å; D69-R227 IonicContact OD1-NH1 2.64Å; D69-R227 PolarHBondContact OD1-NH1 2.94Å; D69-R227 VanDerWaalsContact OD1-NH1 3.09Å; D69-R227 IonicContact OD1-NH2 3.19Å; D69-R227 PolarHBondContact OD1-NH2 3.48Å; D69-R227 IonicContact OD2-CZ 3.69Å; D69-R227 IonicContact OD2-NH1 2.7Å; D69-R227 PolarHBondContact OD2-NH1 3.23Å; D69-R227 IonicContact OD2-NH2 2.84Å; R227-E241 WeakPolarHBondContact CD-OE1 3.45Å; R227-E241 HydrophobicContact CG-CG 3.61Å; R227-E241 WeakPolarHBondContact CG-OE1 3.38Å; R227-V242 PolarHBondContact N-O 3.47Å; R227-N244 WeakPolarHBondContact O-CB 3.45Å
228	T	84.9	Confident	83.3	Confident	21 Å²	21	48.3 Å²	48.3	13%	0.129	25%	0.247	C	C	.	.			trans	-86.4	164.5	176.3	60.9	0	0	0	0	112.6	D198 K226 P230 R231	D198-T228 WeakPolarHBondContact OD1-CG2 3.42Å; K226-T228 VanDerWaalsContact C-N 3.31Å; K226-T228 HydrophobicContact CB-CG2 3.9Å; K226-T228 PolarHBondContact O-N 3.47Å; T228-P230 CarbonylContact C-O 3.57Å; T228-P230 CarbonylContact O-C 3.56Å; T228-P230 PolarHBondContact OG1-O 3.45Å; T228-R231 PolarHBondContact O-N 3.34Å
229	S	77.2	Confident	83.2	Confident	122 Å²	122	47 Å²	47	85%	0.853	24%	0.239	S	C	*	.	S	Bend	trans	-122	122.5	166.5	-172.9	0	0	0	0	109.7
230	P	75.5	Confident	83.3	Confident	115 Å²	115	43.9 Å²	43.9	75%	0.747	23%	0.226	S	C	*	.	S	Bend	cis	-66.6	155.6	-2.1	29.9	-34.7	0	0	0	111.9	T228	T228-P230 CarbonylContact C-O 3.57Å; T228-P230 CarbonylContact O-C 3.56Å; T228-P230 PolarHBondContact OG1-O 3.45Å
231	R	64	Low	83.3	Confident	123 Å²	123	44.4 Å²	44.4	46%	0.464	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-70.3	140.8	175.1	-162	-180	-161.8	164.8	11.1	108.7	T228 D233 E241	T228-R231 PolarHBondContact O-N 3.34Å; R231-D233 PolarHBondContact O-N 3.14Å; R231-E241 IonicContact CZ-OE1 2.73Å; R231-E241 IonicContact NH2-OE1 3.09Å; R231-E241 PolarHBondContact NH2-OE1 3.42Å; R231-E241 IonicContact NH2-OE2 3.02Å; R231-E241 PolarHBondContact NH2-OE2 3.04Å
232	N	64.5	Low	83.3	Confident	36 Å²	36	44.4 Å²	44.4	19%	0.193	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-74.9	118.5	164.5	-172	-2.8	0	0	0	108.4	G200 Y234	G200-N232 WeakPolarHBondContact CA-ND2 3.29Å; N232-Y234 PolarHBondContact O-N 3.45Å; N232-Y234 WeakPolarHBondContact OD1-CB 3.41Å; N232-Y234 PolarHBondContact OD1-N 2.82Å
233	D	62.7	Low	83.3	Confident	146 Å²	146	44.5 Å²	44.5	78%	0.781	23%	0.229	S	C	*	.			trans	-75.7	-14.3	177.6	-68.4	-27.8	0	0	0	112.3	R231 R235	R231-D233 PolarHBondContact O-N 3.14Å; D233-R235 PolarHBondContact O-N 3.31Å
234	Y	65.6	Low	83.1	Confident	78 Å²	78	49 Å²	49	31%	0.306	25%	0.253	S	S	.	.			trans	-66.5	122	171.2	-174	-106.7	0	0	0	110	I207 V220 N232 P236	I207-Y234 HydrophobicContact CD1-CE1 4.12Å; I207-Y234 HydrophobicContact CD1-CE2 4.21Å; V220-Y234 HydrophobicContact CB-CE1 3.88Å; V220-Y234 WeakPolarHBondContact CB-OH 3.24Å; V220-Y234 HydrophobicContact CG1-CE1 4.35Å; V220-Y234 HydrophobicContact CG2-CE1 3.85Å; V220-Y234 WeakPolarHBondContact CG2-OH 3.24Å; N232-Y234 PolarHBondContact O-N 3.45Å; N232-Y234 WeakPolarHBondContact OD1-CB 3.41Å; N232-Y234 PolarHBondContact OD1-N 2.82Å; Y234-P236 HydrophobicContact CD1-CB 4.42Å; Y234-P236 HydrophobicContact CD1-CG 3.98Å; Y234-P236 HydrophobicContact CE1-CB 3.85Å; Y234-P236 HydrophobicContact CE1-CG 3.89Å; Y234-P236 VanDerWaalsContact O-CD 3.23Å; Y234-P236 WeakPolarHBondContact O-CD 3.41Å
235	R	66.3	Low	83.1	Confident	101 Å²	101	52.3 Å²	52.3	38%	0.381	27%	0.265	S	S	.	.			trans	-112.6	89.1	-178.8	-73.5	-88.4	-174.3	-163.5	6.1	109.3	D233 E241	D233-R235 PolarHBondContact O-N 3.31Å; R235-E241 IonicContact NH1-OE2 3.53Å; R235-E241 PolarHBondContact NH1-OE2 3.49Å
236	P	74.9	Confident	83.2	Confident	17 Å²	17	53.3 Å²	53.3	11%	0.11	27%	0.268	C	S	.	.			trans	-68.2	175.6	171.8	14	-9.5	0	0	0	111.8	I197 V220 Y234 V238	I197-P236 HydrophobicContact CD1-CB 4.34Å; I197-P236 HydrophobicContact CD1-CG 3.34Å; V220-P236 HydrophobicContact CB-CB 3.85Å; V220-P236 HydrophobicContact CG1-CB 3.79Å; V220-P236 HydrophobicContact CG1-CG 4.36Å; V220-P236 WeakPolarHBondContact O-CB 3.35Å; Y234-P236 HydrophobicContact CD1-CB 4.42Å; Y234-P236 HydrophobicContact CD1-CG 3.98Å; Y234-P236 HydrophobicContact CE1-CB 3.85Å; Y234-P236 HydrophobicContact CE1-CG 3.89Å; Y234-P236 VanDerWaalsContact O-CD 3.23Å; Y234-P236 WeakPolarHBondContact O-CD 3.41Å; P236-V238 HydrophobicContact CB-CG2 4.13Å; P236-V238 HydrophobicContact CG-CG2 3.63Å; P236-V238 WeakPolarHBondContact O-CG2 3.32Å; P236-V238 PolarHBondContact O-N 2.97Å; P236-V238 VanDerWaalsContact O-N 3.16Å
237	D	82.4	Confident	83.4	Confident	60 Å²	60	52.7 Å²	52.7	32%	0.321	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	107.3	160.8	-61.3	-58.1	0	0	0	107.7	V220 A221 S222	V220-D237 PolarHBondContact O-N 3.33Å; A221-D237 CarbonylContact C-O 3.41Å; A221-D237 VanDerWaalsContact CA-O 3.29Å; A221-D237 WeakPolarHBondContact CA-O 3.4Å; S222-D237 PolarHBondContact N-O 3.38Å
238	V	86.9	Confident	83.7	Confident	9 Å²	9	50 Å²	50	6%	0.055	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134	-168.8	171.3	0	0	0	0	111.1	C64 S222 V225 P236 F240	C64-V238 HydrophobicContact CB-CB 3.84Å; C64-V238 HydrophobicContact CB-CG1 3.75Å; C64-V238 WeakPolarHBondContact CB-O 3.39Å; S222-V238 WeakPolarHBondContact O-CA 3.45Å; V225-V238 HydrophobicContact CB-CG1 4.19Å; V225-V238 HydrophobicContact CB-CG2 4.31Å; V225-V238 HydrophobicContact CG1-CG1 3.64Å; V225-V238 HydrophobicContact CG1-CG2 4.23Å; P236-V238 HydrophobicContact CB-CG2 4.13Å; P236-V238 HydrophobicContact CG-CG2 3.63Å; P236-V238 WeakPolarHBondContact O-CG2 3.32Å; P236-V238 PolarHBondContact O-N 2.97Å; P236-V238 VanDerWaalsContact O-N 3.16Å; V238-F240 WeakPolarHBondContact CG1-O 3.29Å
239	G	91.7	Very high	84.3	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	-62.9	169.3	0	0	0	0	0	111.5	V65 R102 M106 S222 L223	V65-G239 PolarHBondContact N-O 2.91Å; R102-G239 PolarHBondContact NE-O 3.47Å; M106-G239 WeakPolarHBondContact SD-CA 3.5Å; S222-G239 PolarHBondContact O-N 3.02Å; L223-G239 CarbonylContact O-C 3.49Å; L223-G239 WeakPolarHBondContact O-CA 3.46Å; L223-G239 PolarHBondContact O-N 3.42Å
240	F	96.4	Very high	85.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.8	-174.1	-53.9	-95.2	0	0	0	113.2	V65 I67 I94 M98 I99 R102 L223 L224 V225 V238 V242	V65-F240 HydrophobicContact CB-CD1 3.57Å; V65-F240 HydrophobicContact CB-CE1 3.87Å; V65-F240 HydrophobicContact CB-CG 4.46Å; V65-F240 HydrophobicContact CG1-CD1 3.75Å; V65-F240 HydrophobicContact CG1-CE1 3.97Å; V65-F240 HydrophobicContact CG2-CD1 4.39Å; V65-F240 HydrophobicContact CG2-CE1 4.22Å; V65-F240 CarbonylContact O-C 3.54Å; V65-F240 VanDerWaalsContact O-CA 3.24Å; V65-F240 WeakPolarHBondContact O-CA 3.25Å; I67-F240 HydrophobicContact CG1-CD1 4.47Å; I94-F240 HydrophobicContact CD1-CB 3.83Å; I94-F240 HydrophobicContact CD1-CD1 3.76Å; I94-F240 HydrophobicContact CD1-CD2 3.95Å; I94-F240 HydrophobicContact CD1-CE1 4.32Å; I94-F240 HydrophobicContact CD1-CE2 4.49Å; I94-F240 HydrophobicContact CD1-CG 3.57Å; I94-F240 HydrophobicContact CG2-CD1 4.38Å; I94-F240 HydrophobicContact CG2-CE1 3.91Å; I94-F240 HydrophobicContact CG2-CE2 4.39Å; I94-F240 HydrophobicContact CG2-CZ 3.91Å; M98-F240 HydrophobicContact CE-CE1 4.38Å; M98-F240 HydrophobicContact CG-CE1 4.02Å; M98-F240 HydrophobicContact CG-CZ 4.22Å; M98-F240 HydrophobicContact SD-CE1 4.12Å; I99-F240 HydrophobicContact CG1-CE2 4.45Å; R102-F240 HydrophobicContact CB-CE1 4.33Å; R102-F240 HydrophobicContact CB-CE2 3.88Å; R102-F240 HydrophobicContact CB-CZ 3.5Å; R102-F240 VanDerWaalsContact CB-CZ 3.5Å; R102-F240 HydrophobicContact CG-CE1 4.48Å; R102-F240 HydrophobicContact CG-CE2 3.89Å; R102-F240 HydrophobicContact CG-CZ 3.84Å; L223-F240 HydrophobicContact CD1-CD2 4.05Å; L223-F240 HydrophobicContact CD1-CE2 4.04Å; L223-F240 PolarHBondContact O-N 3.42Å; L224-F240 CarbonylContact C-O 3.53Å; L224-F240 WeakPolarHBondContact CA-O 3.42Å; L224-F240 HydrophobicContact CD2-CB 3.81Å; L224-F240 HydrophobicContact CD2-CD2 4.17Å; L224-F240 HydrophobicContact CD2-CG 4.35Å; V225-F240 PolarHBondContact N-O 3.43Å; V238-F240 WeakPolarHBondContact CG1-O 3.29Å; F240-V242 HydrophobicContact CB-CG1 4.06Å
241	E	94.8	Very high	86.3	Confident	12 Å²	12	38 Å²	38	6%	0.056	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.7	165.3	180	165.1	171.7	0	0	108.9	V65 V66 I67 V225 R227 R231 R235	V65-E241 PolarHBondContact O-N 2.92Å; V66-E241 HydrophobicContact CG2-CB 4.31Å; I67-E241 PolarHBondContact N-O 3.43Å; V225-E241 HydrophobicContact CG1-CB 3.77Å; V225-E241 HydrophobicContact CG1-CG 3.95Å; V225-E241 WeakPolarHBondContact O-CA 3.32Å; R227-E241 WeakPolarHBondContact CD-OE1 3.45Å; R227-E241 HydrophobicContact CG-CG 3.61Å; R227-E241 WeakPolarHBondContact CG-OE1 3.38Å; R231-E241 IonicContact CZ-OE1 2.73Å; R231-E241 IonicContact NH2-OE1 3.09Å; R231-E241 PolarHBondContact NH2-OE1 3.42Å; R231-E241 IonicContact NH2-OE2 3.02Å; R231-E241 PolarHBondContact NH2-OE2 3.04Å; R235-E241 IonicContact NH1-OE2 3.53Å; R235-E241 PolarHBondContact NH1-OE2 3.49Å
242	V	95.6	Very high	87.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.1	-169.9	-63.3	0	0	0	0	112.9	I67 L93 I94 L224 V225 K226 R227 F240	I67-V242 HydrophobicContact CB-CG1 4.49Å; I67-V242 HydrophobicContact CG1-CG1 4.37Å; L93-V242 HydrophobicContact CD2-CB 4.26Å; L93-V242 HydrophobicContact CD2-CG1 4.17Å; I94-V242 HydrophobicContact CD1-CG1 4.04Å; L224-V242 HydrophobicContact CB-CG2 4.43Å; L224-V242 HydrophobicContact CD2-CG1 3.97Å; V225-V242 PolarHBondContact O-N 3.04Å; K226-V242 HydrophobicContact CG-CG2 4.22Å; R227-V242 PolarHBondContact N-O 3.47Å; F240-V242 HydrophobicContact CB-CG1 4.06Å
243	P	95.5	Very high	89.3	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.013	16%	0.157	C	C	.	.			trans	-55.8	152.8	171.4	-25	36.3	0	0	0	111.9	I67 D69 R245	I67-P243 WeakPolarHBondContact O-CD 3.26Å; D69-P243 WeakPolarHBondContact OD1-CA 3.38Å; D69-P243 VanDerWaalsContact OD1-CB 3.24Å; D69-P243 WeakPolarHBondContact OD1-CB 3.39Å; P243-R245 HydrophobicContact CB-CG 4.18Å; P243-R245 PolarHBondContact O-N 2.9Å
244	N	94.4	Very high	90.9	Very high	95 Å²	95	26.3 Å²	26.3	51%	0.508	12%	0.121	S	C	.	.	S	Bend	trans	-74	71.8	172.8	-172.2	23	0	0	0	111.4	R227	R227-N244 WeakPolarHBondContact O-CB 3.45Å
245	R	94.8	Very high	92.2	Very high	69 Å²	69	24.2 Å²	24.2	26%	0.26	12%	0.115	S	C	.	.	S	Bend	trans	-121.6	157	173	-60.5	-174	-164	-167.2	12.8	108.9	D69 Y91 K226 P243 V247 V266	D69-R245 PolarHBondContact O-NH2 3.29Å; Y91-R245 VanDerWaalsContact OH-CD 3.3Å; Y91-R245 WeakPolarHBondContact OH-CD 3.36Å; Y91-R245 PolarHBondContact OH-NE 2.99Å; Y91-R245 PolarHBondContact OH-NH1 2.71Å; K226-R245 WeakPolarHBondContact CE-O 3.21Å; P243-R245 HydrophobicContact CB-CG 4.18Å; P243-R245 PolarHBondContact O-N 2.9Å; R245-V247 PolarHBondContact O-N 2.96Å; R245-V266 HydrophobicContact CB-CG1 4.2Å; R245-V266 HydrophobicContact CB-CG2 4.15Å
246	F	95.5	Very high	93.5	Very high	38 Å²	38	23.8 Å²	23.8	17%	0.167	12%	0.121	C	C	.	.			trans	-77.1	117.9	175.2	-158.4	-76.1	0	0	0	109.3	D168 V248 Y254 I267	D168-F246 HydrophobicContact CB-CD2 3.92Å; D168-F246 HydrophobicContact CB-CE2 4.07Å; F246-V248 HydrophobicContact CD1-CG1 4.08Å; F246-V248 HydrophobicContact CE1-CG1 3.89Å; F246-Y254 HydrophobicContact CD1-CD2 4.08Å; F246-Y254 AromaticContact CE1-CD2 3.51Å; F246-Y254 HydrophobicContact CE1-CD2 3.51Å; F246-Y254 HydrophobicContact CE1-CE2 4.5Å; F246-Y254 HydrophobicContact CE1-CG 4.2Å; F246-Y254 HydrophobicContact CE2-CD2 4.26Å; F246-Y254 AromaticContact CZ-CD2 3.61Å; F246-Y254 HydrophobicContact CZ-CD2 3.61Å; F246-Y254 HydrophobicContact CZ-CE2 4.39Å; F246-I267 HydrophobicContact CB-CG2 3.9Å; F246-I267 HydrophobicContact CD1-CG2 3.52Å; F246-I267 HydrophobicContact CG-CG2 4.07Å; F246-I267 PolarHBondContact O-N 3.37Å
247	V	97.2	Very high	94.5	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.036	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.6	-176.1	-67	0	0	0	0	110.9	L93 I196 L224 R245 L252 I264 C265 V266	L93-V247 HydrophobicContact CD2-CG1 3.78Å; I196-V247 HydrophobicContact CD1-CG2 3.63Å; L224-V247 HydrophobicContact CD1-CG2 3.93Å; R245-V247 PolarHBondContact O-N 2.96Å; V247-L252 HydrophobicContact CG2-CD1 4.17Å; V247-I264 HydrophobicContact CB-CG2 3.93Å; V247-I264 HydrophobicContact CG1-CG2 4.23Å; V247-I264 HydrophobicContact CG2-CG2 4.48Å; V247-C265 CarbonylContact C-O 3.46Å; V247-C265 WeakPolarHBondContact CA-O 3.19Å; V247-V266 HydrophobicContact CG1-CG2 4.06Å
248	V	97.4	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	166.2	-179.3	-64.7	0	0	0	0	110.5	L89 F246 F258 L261 I264 C265 I267	L89-V248 HydrophobicContact CD2-CG2 3.81Å; F246-V248 HydrophobicContact CD1-CG1 4.08Å; F246-V248 HydrophobicContact CE1-CG1 3.89Å; V248-F258 HydrophobicContact CB-CB 3.6Å; V248-F258 HydrophobicContact CB-CG 4.05Å; V248-F258 HydrophobicContact CG1-CB 4.13Å; V248-F258 HydrophobicContact CG1-CD2 4.28Å; V248-F258 HydrophobicContact CG1-CG 4.23Å; V248-F258 HydrophobicContact CG2-CB 3.87Å; V248-F258 HydrophobicContact CG2-CD1 3.98Å; V248-F258 HydrophobicContact CG2-CG 3.98Å; V248-L261 HydrophobicContact CG2-CD1 4.25Å; V248-I264 WeakPolarHBondContact O-CA 3.43Å; V248-C265 HydrophobicContact CG2-CB 4.33Å; V248-C265 PolarHBondContact N-O 3.07Å; V248-C265 PolarHBondContact O-N 3.35Å; V248-I267 HydrophobicContact CG1-CB 4.23Å; V248-I267 HydrophobicContact CG1-CG2 4.38Å; V248-I267 HydrophobicContact CG2-CB 4.24Å
249	G	97.6	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	89.8	169.1	-179.9	0	0	0	0	0	113.2	A251 L252 F258 H263	G249-A251 PolarHBondContact O-N 2.96Å; G249-L252 PolarHBondContact N-O 2.91Å; G249-L252 WeakPolarHBondContact O-CB 3.42Å; G249-L252 PolarHBondContact O-N 3.23Å; G249-F258 VanDerWaalsContact CA-O 3.31Å; G249-F258 WeakPolarHBondContact CA-O 3.5Å; G249-H263 CarbonylContact C-O 3.6Å; G249-H263 WeakPolarHBondContact CA-O 3.36Å
250	Y	97.7	Very high	95.7	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.02	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	47.2	-168.9	-163.1	-101.6	0	0	0	111.5	I99 L103 K133 F134 D137 L223 L252 L261 H263	I99-Y250 HydrophobicContact CD1-CD1 4.39Å; I99-Y250 HydrophobicContact CD1-CD2 3.92Å; I99-Y250 HydrophobicContact CD1-CE2 4.36Å; I99-Y250 HydrophobicContact CD1-CG 3.93Å; I99-Y250 HydrophobicContact CG2-CD1 4.42Å; I99-Y250 HydrophobicContact CG2-CE1 3.82Å; I99-Y250 HydrophobicContact CG2-CE2 3.95Å; L103-Y250 WeakPolarHBondContact CD1-OH 3.26Å; K133-Y250 HydrophobicContact CB-CE1 4.46Å; F134-Y250 HydrophobicContact CB-CE1 4.09Å; D137-Y250 PolarHBondContact OD2-OH 2.84Å; L223-Y250 HydrophobicContact CD2-CD1 3.37Å; L223-Y250 HydrophobicContact CD2-CE1 3.5Å; Y250-L252 PolarHBondContact O-N 3.16Å; Y250-L261 WeakPolarHBondContact CA-O 3.41Å; Y250-L261 PolarHBondContact N-O 3.26Å; Y250-H263 PolarHBondContact N-O 3.49Å
251	A	96.9	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-7.6	-174.3	0	0	0	0	0	117.4	G130 F132 K133 G249 R259	G130-A251 WeakPolarHBondContact CA-O 3.4Å; G130-A251 VanDerWaalsContact O-CB 3.26Å; G130-A251 WeakPolarHBondContact O-CB 3.29Å; F132-A251 HydrophobicContact CD1-CB 3.61Å; F132-A251 HydrophobicContact CE1-CB 3.3Å; F132-A251 HydrophobicContact CZ-CB 4.18Å; K133-A251 HydrophobicContact CB-CB 3.9Å; K133-A251 HydrophobicContact CD-CB 3.77Å; K133-A251 HydrophobicContact CG-CB 3.76Å; G249-A251 PolarHBondContact O-N 2.96Å; A251-R259 PolarHBondContact N-O 3.13Å; A251-R259 WeakPolarHBondContact O-CG 3.33Å; A251-R259 PolarHBondContact O-NH1 3.05Å
252	L	96.5	Very high	95.8	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-65.8	145.2	162.5	-63.2	151.9	0	0	0	109.6	D195 I196 L224 V247 G249 Y250 I264	D195-L252 HydrophobicContact CB-CD2 3.93Å; D195-L252 HydrophobicContact CB-CG 4.46Å; D195-L252 WeakPolarHBondContact OD2-CD2 3.43Å; I196-L252 HydrophobicContact CB-CD2 3.87Å; I196-L252 HydrophobicContact CG2-CD2 3.5Å; I196-L252 VanDerWaalsContact CG2-CD2 3.5Å; L224-L252 HydrophobicContact CD1-CD1 3.61Å; V247-L252 HydrophobicContact CG2-CD1 4.17Å; G249-L252 PolarHBondContact N-O 2.91Å; G249-L252 WeakPolarHBondContact O-CB 3.42Å; G249-L252 PolarHBondContact O-N 3.23Å; Y250-L252 PolarHBondContact O-N 3.16Å; L252-I264 HydrophobicContact CD1-CG1 4.33Å; L252-I264 HydrophobicContact CD1-CG2 4.46Å
253	D	95.2	Very high	95.9	Very high	46 Å²	46	32.6 Å²	32.6	25%	0.246	16%	0.159	C	C	.	.			trans	-129.8	162.3	-174.7	74.4	-73.6	0	0	0	114.4	D256 N257 R259	D253-D256 WeakPolarHBondContact OD2-CA 3.43Å; D253-D256 PolarHBondContact OD2-N 3.4Å; D253-N257 WeakPolarHBondContact CA-O 3.3Å; D253-N257 VanDerWaalsContact CB-O 3.24Å; D253-N257 WeakPolarHBondContact CB-O 3.45Å; D253-R259 HydrophobicContact CB-CG 3.61Å; D253-R259 VanDerWaalsContact CB-CZ 3.48Å; D253-R259 IonicContact OD1-CZ 3.78Å; D253-R259 IonicContact OD1-NH1 3.41Å; D253-R259 PolarHBondContact OD1-NH1 3.35Å; D253-R259 IonicContact OD1-NH2 3.63Å; D253-R259 PolarHBondContact OD1-NH2 3.49Å; D253-R259 IonicContact OD2-CZ 2.79Å; D253-R259 IonicContact OD2-NH2 2.93Å; D253-R259 PolarHBondContact OD2-NH2 2.96Å
254	Y	95.1	Very high	96.1	Very high	8 Å²	8	32.5 Å²	32.5	3%	0.031	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-122.3	110.2	157.1	-174.8	-99.6	0	0	0	107.7	D168 F246 D256 N257 I267 Q272 F275	D168-Y254 HydrophobicContact CB-CE2 4.46Å; F246-Y254 HydrophobicContact CD1-CD2 4.08Å; F246-Y254 AromaticContact CE1-CD2 3.51Å; F246-Y254 HydrophobicContact CE1-CD2 3.51Å; F246-Y254 HydrophobicContact CE1-CE2 4.5Å; F246-Y254 HydrophobicContact CE1-CG 4.2Å; F246-Y254 HydrophobicContact CE2-CD2 4.26Å; F246-Y254 AromaticContact CZ-CD2 3.61Å; F246-Y254 HydrophobicContact CZ-CD2 3.61Å; F246-Y254 HydrophobicContact CZ-CE2 4.39Å; Y254-D256 PolarHBondContact O-N 2.92Å; Y254-N257 PolarHBondContact N-O 3.41Å; Y254-N257 VanDerWaalsContact N-O 3.15Å; Y254-N257 WeakPolarHBondContact O-CB 3.47Å; Y254-N257 PolarHBondContact O-N 2.98Å; Y254-I267 HydrophobicContact CD1-CD1 4.1Å; Y254-I267 HydrophobicContact CG-CD1 4.02Å; Y254-Q272 HydrophobicContact CE1-CB 4.48Å; Y254-Q272 WeakPolarHBondContact CE1-O 3.26Å; Y254-Q272 HydrophobicContact CE2-CG 4.29Å; Y254-Q272 PolarHBondContact OH-O 3.05Å; Y254-F275 HydrophobicContact CD1-CB 3.79Å; Y254-F275 HydrophobicContact CE1-CB 4.11Å
255	N	93.1	Very high	96.2	Very high	33 Å²	33	28 Å²	28	18%	0.176	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	53.8	-176.2	-61.2	-37.7	0	0	0	113.2	N167 N257 F275 V277	N167-N255 WeakPolarHBondContact CA-OD1 3.48Å; N167-N255 PolarHBondContact N-OD1 3.43Å; N167-N255 VanDerWaalsContact N-OD1 3.09Å; N167-N255 PolarHBondContact OD1-ND2 3.33Å; N255-N257 PolarHBondContact O-N 3.25Å; N255-N257 VanDerWaalsContact O-N 3.11Å; N255-N257 PolarHBondContact O-ND2 2.93Å; N255-F275 PolarHBondContact ND2-O 3.18Å; N255-V277 HydrophobicContact CB-CG1 3.92Å; N255-V277 HydrophobicContact CB-CG2 4.49Å; N255-V277 PolarHBondContact ND2-N 2.85Å
256	D	93.1	Very high	96.4	Very high	93 Å²	93	25 Å²	25	50%	0.497	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	7.7	-176.5	-86.1	-34.7	0	0	0	115.8	K129 D253 Y254 R259	K129-D256 VanDerWaalsContact NZ-CG 3.34Å; K129-D256 IonicContact NZ-OD1 2.91Å; K129-D256 PolarHBondContact NZ-OD1 3.47Å; K129-D256 IonicContact NZ-OD2 3.02Å; K129-D256 PolarHBondContact NZ-OD2 3.09Å; D253-D256 WeakPolarHBondContact OD2-CA 3.43Å; D253-D256 PolarHBondContact OD2-N 3.4Å; Y254-D256 PolarHBondContact O-N 2.92Å; D256-R259 IonicContact OD1-CZ 3.69Å; D256-R259 IonicContact OD1-NE 2.61Å; D256-R259 PolarHBondContact OD1-NE 3.31Å; D256-R259 IonicContact OD1-NH2 3.98Å; D256-R259 PolarHBondContact OD1-NH2 3.25Å
257	N	95.9	Very high	96.5	Very high	33 Å²	33	23.3 Å²	23.3	18%	0.176	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-96.1	169.3	171.7	-65.4	-92	0	0	0	111.5	R84 Y85 D253 Y254 N255 R259 F275	R84-N257 PolarHBondContact NH2-OD1 3.06Å; Y85-N257 HydrophobicContact CE1-CB 4.36Å; D253-N257 WeakPolarHBondContact CA-O 3.3Å; D253-N257 VanDerWaalsContact CB-O 3.24Å; D253-N257 WeakPolarHBondContact CB-O 3.45Å; Y254-N257 PolarHBondContact N-O 3.41Å; Y254-N257 VanDerWaalsContact N-O 3.15Å; Y254-N257 WeakPolarHBondContact O-CB 3.47Å; Y254-N257 PolarHBondContact O-N 2.98Å; N255-N257 PolarHBondContact O-N 3.25Å; N255-N257 VanDerWaalsContact O-N 3.11Å; N255-N257 PolarHBondContact O-ND2 2.93Å; N257-R259 PolarHBondContact O-N 3.02Å; N257-R259 VanDerWaalsContact O-N 3.13Å; N257-F275 HydrophobicContact CB-CD1 3.96Å; N257-F275 HydrophobicContact CB-CE1 4.33Å; N257-F275 HydrophobicContact CB-CG 4.39Å; N257-F275 VanDerWaalsContact CG-CD1 3.4Å; N257-F275 WeakPolarHBondContact OD1-CD1 3.42Å; N257-F275 WeakPolarHBondContact OD1-CE1 3.41Å
258	F	97	Very high	96.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	70	-6.6	174.8	-52.6	-92.1	0	0	0	116.9	Y85 C88 L89 V248 G249 D260 L261 I267 F275	Y85-F258 AromaticContact CD1-CD1 3.42Å; Y85-F258 HydrophobicContact CD1-CD1 3.42Å; Y85-F258 VanDerWaalsContact CD1-CD1 3.42Å; Y85-F258 AromaticContact CD1-CE1 3.24Å; Y85-F258 HydrophobicContact CD1-CE1 3.24Å; Y85-F258 HydrophobicContact CD1-CE2 4.47Å; Y85-F258 HydrophobicContact CD1-CG 4.15Å; Y85-F258 AromaticContact CD1-CZ 3.82Å; Y85-F258 HydrophobicContact CD1-CZ 3.82Å; Y85-F258 AromaticContact CD2-CD1 3.89Å; Y85-F258 HydrophobicContact CD2-CD1 3.89Å; Y85-F258 HydrophobicContact CD2-CE1 4.37Å; Y85-F258 AromaticContact CE1-CD1 3.72Å; Y85-F258 HydrophobicContact CE1-CD1 3.72Å; Y85-F258 HydrophobicContact CE1-CD2 4.36Å; Y85-F258 AromaticContact CE1-CE1 3.89Å; Y85-F258 HydrophobicContact CE1-CE1 3.89Å; Y85-F258 HydrophobicContact CE1-CE2 4.47Å; Y85-F258 AromaticContact CE1-CG 3.98Å; Y85-F258 HydrophobicContact CE1-CG 3.98Å; Y85-F258 HydrophobicContact CE1-CZ 4.26Å; Y85-F258 HydrophobicContact CE2-CD1 4.17Å; Y85-F258 AromaticContact CG-CD1 3.52Å; Y85-F258 HydrophobicContact CG-CD1 3.52Å; Y85-F258 AromaticContact CG-CE1 3.54Å; Y85-F258 HydrophobicContact CG-CE1 3.54Å; Y85-F258 WeakPolarHBondContact OH-CA 3.49Å; Y85-F258 PolarHBondContact OH-N 2.98Å; C88-F258 HydrophobicContact CB-CE1 4.07Å; C88-F258 HydrophobicContact CB-CZ 4.21Å; L89-F258 HydrophobicContact CD2-CD1 4.16Å; L89-F258 HydrophobicContact CD2-CE1 4.06Å; V248-F258 HydrophobicContact CB-CB 3.6Å; V248-F258 HydrophobicContact CB-CG 4.05Å; V248-F258 HydrophobicContact CG1-CB 4.13Å; V248-F258 HydrophobicContact CG1-CD2 4.28Å; V248-F258 HydrophobicContact CG1-CG 4.23Å; V248-F258 HydrophobicContact CG2-CB 3.87Å; V248-F258 HydrophobicContact CG2-CD1 3.98Å; V248-F258 HydrophobicContact CG2-CG 3.98Å; G249-F258 VanDerWaalsContact CA-O 3.31Å; G249-F258 WeakPolarHBondContact CA-O 3.5Å; F258-D260 PolarHBondContact O-N 3.46Å; F258-L261 HydrophobicContact CB-CD1 4.24Å; F258-L261 HydrophobicContact CD1-CD1 4.06Å; F258-L261 PolarHBondContact O-N 2.87Å; F258-L261 VanDerWaalsContact O-N 3.09Å; F258-I267 HydrophobicContact CD2-CD1 4.31Å; F258-I267 HydrophobicContact CE1-CD1 4.3Å; F258-I267 HydrophobicContact CE2-CD1 3.55Å; F258-I267 HydrophobicContact CZ-CD1 3.53Å; F258-I267 HydrophobicContact CZ-CG1 4.14Å; F258-F275 HydrophobicContact CE1-CD2 4.48Å; F258-F275 HydrophobicContact CE1-CE2 4.28Å; F258-F275 HydrophobicContact CE2-CB 4.11Å; F258-F275 AromaticContact CE2-CD2 3.52Å; F258-F275 HydrophobicContact CE2-CD2 3.52Å; F258-F275 HydrophobicContact CE2-CE2 4Å; F258-F275 AromaticContact CE2-CG 3.82Å; F258-F275 HydrophobicContact CE2-CG 3.82Å; F258-F275 AromaticContact CZ-CD2 3.32Å; F258-F275 HydrophobicContact CZ-CD2 3.32Å; F258-F275 AromaticContact CZ-CE2 3.48Å; F258-F275 HydrophobicContact CZ-CE2 3.48Å; F258-F275 VanDerWaalsContact CZ-CE2 3.48Å; F258-F275 HydrophobicContact CZ-CG 4.11Å; F258-F275 HydrophobicContact CZ-CZ 4.37Å
259	R	95.8	Very high	96.5	Very high	40 Å²	40	32.1 Å²	32.1	15%	0.151	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.4	177.5	-64.4	-162.4	-168.8	-81.1	-2.5	113.8	K133 A251 D253 D256 N257 L261	K133-R259 PolarHBondContact NZ-O 3.32Å; A251-R259 PolarHBondContact N-O 3.13Å; A251-R259 WeakPolarHBondContact O-CG 3.33Å; A251-R259 PolarHBondContact O-NH1 3.05Å; D253-R259 HydrophobicContact CB-CG 3.61Å; D253-R259 VanDerWaalsContact CB-CZ 3.48Å; D253-R259 IonicContact OD1-CZ 3.78Å; D253-R259 IonicContact OD1-NH1 3.41Å; D253-R259 PolarHBondContact OD1-NH1 3.35Å; D253-R259 IonicContact OD1-NH2 3.63Å; D253-R259 PolarHBondContact OD1-NH2 3.49Å; D253-R259 IonicContact OD2-CZ 2.79Å; D253-R259 IonicContact OD2-NH2 2.93Å; D253-R259 PolarHBondContact OD2-NH2 2.96Å; D256-R259 IonicContact OD1-CZ 3.69Å; D256-R259 IonicContact OD1-NE 2.61Å; D256-R259 PolarHBondContact OD1-NE 3.31Å; D256-R259 IonicContact OD1-NH2 3.98Å; D256-R259 PolarHBondContact OD1-NH2 3.25Å; N257-R259 PolarHBondContact O-N 3.02Å; N257-R259 VanDerWaalsContact O-N 3.13Å; R259-L261 VanDerWaalsContact C-N 3.35Å
260	D	95.2	Very high	96.4	Very high	72 Å²	72	36 Å²	36	39%	0.385	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16	-177.7	58	-51.7	0	0	0	113.9	Y85 F258 H262	Y85-D260 WeakPolarHBondContact CE2-OD1 3.38Å; Y85-D260 WeakPolarHBondContact CE2-OD2 3.37Å; Y85-D260 VanDerWaalsContact CZ-OD1 3.28Å; Y85-D260 PolarHBondContact OH-OD1 3.37Å; F258-D260 PolarHBondContact O-N 3.46Å; D260-H262 PolarHBondContact O-N 3.03Å
261	L	96.9	Very high	96.4	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.181	C	C	.	.			trans	-62.8	138	172	-65.5	173.4	0	0	0	110.7	T81 Y85 L89 V248 Y250 F258 R259	T81-L261 HydrophobicContact CG2-CD2 4.25Å; Y85-L261 HydrophobicContact CD2-CD1 4.26Å; Y85-L261 HydrophobicContact CD2-CD2 3.85Å; Y85-L261 HydrophobicContact CD2-CG 3.98Å; Y85-L261 HydrophobicContact CE2-CD2 4.36Å; Y85-L261 HydrophobicContact CE2-CG 4.18Å; L89-L261 HydrophobicContact CD1-CD1 3.86Å; L89-L261 HydrophobicContact CD2-CD1 4.19Å; V248-L261 HydrophobicContact CG2-CD1 4.25Å; Y250-L261 WeakPolarHBondContact CA-O 3.41Å; Y250-L261 PolarHBondContact N-O 3.26Å; F258-L261 HydrophobicContact CB-CD1 4.24Å; F258-L261 HydrophobicContact CD1-CD1 4.06Å; F258-L261 PolarHBondContact O-N 2.87Å; F258-L261 VanDerWaalsContact O-N 3.09Å; R259-L261 VanDerWaalsContact C-N 3.35Å
262	H	96.4	Very high	96.4	Very high	113 Å²	113	38.2 Å²	38.2	52%	0.523	19%	0.192	S	C	.	.	S	Bend	trans	-83	-20.5	178.5	-69.9	-78.7	0	0	0	113.3	N96 D260	N96-H262 HydrophobicContact CB-CB 4.42Å; N96-H262 WeakPolarHBondContact CB-O 3.38Å; N96-H262 PolarHBondContact ND2-O 3.09Å; D260-H262 PolarHBondContact O-N 3.03Å
263	H	97.5	Very high	96.4	Very high	21 Å²	21	46.2 Å²	46.2	10%	0.097	23%	0.226	C	C	.	.	S	Bend	trans	-104	160.8	-179.9	-47	-48.8	0	0	0	110	F79 V92 N96 G249 Y250	F79-H263 AromaticContact CD1-CD2 3.86Å; F79-H263 AromaticContact CD1-CE1 3.84Å; F79-H263 AromaticContact CD1-NE2 3.5Å; F79-H263 AromaticContact CG-CD2 3.93Å; F79-H263 AromaticContact CG-NE2 3.88Å; V92-H263 HydrophobicContact CG1-CB 3.76Å; V92-H263 HydrophobicContact CG2-CB 4.47Å; N96-H263 WeakPolarHBondContact CB-ND1 3.47Å; N96-H263 PolarHBondContact N-ND1 3.4Å; G249-H263 CarbonylContact C-O 3.6Å; G249-H263 WeakPolarHBondContact CA-O 3.36Å; Y250-H263 PolarHBondContact N-O 3.49Å
264	I	98.3	Very high	96.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.4	167.7	-63.5	163.8	0	0	0	107.3	L93 I94 I99 L223 L224 V247 V248 L252	L93-I264 WeakPolarHBondContact CA-O 3.2Å; L93-I264 WeakPolarHBondContact CB-O 3.3Å; L93-I264 PolarHBondContact N-O 3.13Å; I94-I264 HydrophobicContact CB-CB 4.13Å; I94-I264 HydrophobicContact CB-CD1 4.33Å; I94-I264 HydrophobicContact CD1-CD1 4.09Å; I94-I264 HydrophobicContact CG1-CB 4.42Å; I94-I264 PolarHBondContact N-O 3.05Å; I94-I264 PolarHBondContact O-N 2.8Å; I99-I264 HydrophobicContact CD1-CD1 3.58Å; I99-I264 HydrophobicContact CD1-CG1 3.76Å; I99-I264 HydrophobicContact CG1-CD1 4.16Å; L223-I264 HydrophobicContact CD2-CD1 3.96Å; L224-I264 HydrophobicContact CD1-CD1 4.12Å; L224-I264 HydrophobicContact CD1-CG2 4.27Å; L224-I264 HydrophobicContact CD2-CD1 3.96Å; L224-I264 HydrophobicContact CG-CD1 4.35Å; V247-I264 HydrophobicContact CB-CG2 3.93Å; V247-I264 HydrophobicContact CG1-CG2 4.23Å; V247-I264 HydrophobicContact CG2-CG2 4.48Å; V248-I264 WeakPolarHBondContact O-CA 3.43Å; L252-I264 HydrophobicContact CD1-CG1 4.33Å; L252-I264 HydrophobicContact CD1-CG2 4.46Å
265	C	98.1	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.8	-175.1	-57.4	0	0	0	0	110.3	L89 Y91 V247 V248	L89-C265 HydrophobicContact CD1-CB 4.1Å; L89-C265 HydrophobicContact CD2-CB 3.92Å; L89-C265 HydrophobicContact CG-CB 4.46Å; Y91-C265 WeakPolarHBondContact O-CA 3.38Å; V247-C265 CarbonylContact C-O 3.46Å; V247-C265 WeakPolarHBondContact CA-O 3.19Å; V248-C265 HydrophobicContact CG2-CB 4.33Å; V248-C265 PolarHBondContact N-O 3.07Å; V248-C265 PolarHBondContact O-N 3.35Å
266	V	97.9	Very high	96.5	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.2	168.4	172	0	0	0	0	108.8	L89 D90 Y91 L93 R245 V247	L89-V266 WeakPolarHBondContact CA-O 3.42Å; D90-V266 HydrophobicContact CB-CG1 4.36Å; D90-V266 PolarHBondContact N-O 3.03Å; Y91-V266 HydrophobicContact CD2-CB 4.45Å; Y91-V266 HydrophobicContact CD2-CG2 4.41Å; Y91-V266 HydrophobicContact CE1-CB 4.4Å; Y91-V266 HydrophobicContact CE2-CB 3.98Å; Y91-V266 HydrophobicContact CE2-CG2 3.59Å; Y91-V266 PolarHBondContact O-N 2.82Å; Y91-V266 VanDerWaalsContact O-N 3.07Å; L93-V266 HydrophobicContact CB-CG2 4.36Å; L93-V266 HydrophobicContact CD2-CG2 4.28Å; R245-V266 HydrophobicContact CB-CG1 4.2Å; R245-V266 HydrophobicContact CB-CG2 4.15Å; V247-V266 HydrophobicContact CG1-CG2 4.06Å
267	I	97.6	Very high	96.3	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.7	176.2	-167.1	179	0	0	0	109.8	C88 F246 V248 Y254 F258 Q272	C88-I267 VanDerWaalsContact O-CG1 3.32Å; C88-I267 WeakPolarHBondContact O-CG1 3.08Å; F246-I267 HydrophobicContact CB-CG2 3.9Å; F246-I267 HydrophobicContact CD1-CG2 3.52Å; F246-I267 HydrophobicContact CG-CG2 4.07Å; F246-I267 PolarHBondContact O-N 3.37Å; V248-I267 HydrophobicContact CG1-CB 4.23Å; V248-I267 HydrophobicContact CG1-CG2 4.38Å; V248-I267 HydrophobicContact CG2-CB 4.24Å; Y254-I267 HydrophobicContact CD1-CD1 4.1Å; Y254-I267 HydrophobicContact CG-CD1 4.02Å; F258-I267 HydrophobicContact CD2-CD1 4.31Å; F258-I267 HydrophobicContact CE1-CD1 4.3Å; F258-I267 HydrophobicContact CE2-CD1 3.55Å; F258-I267 HydrophobicContact CZ-CD1 3.53Å; F258-I267 HydrophobicContact CZ-CG1 4.14Å; I267-Q272 HydrophobicContact CD1-CG 4.04Å; I267-Q272 HydrophobicContact CG1-CG 4.22Å; I267-Q272 HydrophobicContact CG2-CG 3.86Å
268	N	97.1	Very high	95.6	Very high	22 Å²	22	53.8 Å²	53.8	12%	0.118	27%	0.274	C	S	.	.			trans	-92.3	177.5	178.7	71.8	19.2	0	0	0	111.9	E87 C88 L89 D90 V270 G271 Q272	E87-N268 PolarHBondContact O-ND2 2.79Å; E87-N268 PolarHBondContact O-OD1 2.98Å; C88-N268 VanDerWaalsContact C-CG 3.42Å; C88-N268 VanDerWaalsContact C-OD1 3.26Å; C88-N268 WeakPolarHBondContact CA-OD1 3.47Å; C88-N268 PolarHBondContact O-N 2.8Å; C88-N268 PolarHBondContact O-OD1 3.4Å; C88-N268 VanDerWaalsContact O-OD1 3.13Å; L89-N268 PolarHBondContact O-ND2 2.96Å; D90-N268 HydrophobicContact CB-CB 4.47Å; D90-N268 WeakPolarHBondContact OD1-CB 3.49Å; N268-V270 VanDerWaalsContact C-N 3.3Å; N268-V270 PolarHBondContact O-N 3.07Å; N268-V270 WeakPolarHBondContact OD1-CB 3.36Å; N268-V270 PolarHBondContact OD1-N 3.36Å; N268-G271 PolarHBondContact O-N 2.68Å; N268-G271 PolarHBondContact OD1-N 3.46Å; N268-Q272 WeakPolarHBondContact O-CG 3.46Å; N268-Q272 PolarHBondContact O-N 3.03Å
269	E	96.9	Very high	94.2	Very high	168 Å²	168	58.2 Å²	58.2	79%	0.785	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-34.1	-179.1	-64.2	-178.3	179.5	0	0	113.3	Q272 K273	E269-Q272 PolarHBondContact O-N 3.28Å; E269-K273 VanDerWaalsContact O-CB 3.29Å; E269-K273 WeakPolarHBondContact O-CB 3.33Å; E269-K273 PolarHBondContact O-N 3.05Å
270	V	97.2	Very high	92.5	Very high	82 Å²	82	61.4 Å²	61.4	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-46.7	176.7	178.4	0	0	0	0	109.9	N268 K273 K274	N268-V270 VanDerWaalsContact C-N 3.3Å; N268-V270 PolarHBondContact O-N 3.07Å; N268-V270 WeakPolarHBondContact OD1-CB 3.36Å; N268-V270 PolarHBondContact OD1-N 3.36Å; V270-K273 PolarHBondContact O-N 2.9Å; V270-K274 WeakPolarHBondContact O-CB 3.45Å; V270-K274 PolarHBondContact O-N 3.2Å
271	G	97.2	Very high	90.1	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-49.8	175.4	0	0	0	0	0	112.2	N268 K273 K274 F275	N268-G271 PolarHBondContact O-N 2.68Å; N268-G271 PolarHBondContact OD1-N 3.46Å; G271-K273 VanDerWaalsContact C-N 3.34Å; G271-K273 PolarHBondContact O-N 2.94Å; G271-K274 PolarHBondContact O-N 3.02Å; G271-F275 WeakPolarHBondContact O-CD2 3.24Å; G271-F275 PolarHBondContact O-N 3.19Å
272	Q	96.5	Very high	87.5	Confident	52 Å²	52	71.6 Å²	71.6	24%	0.243	38%	0.381	C	S	.	.	H	α-helix	trans	-58.9	-45.7	179	-70.6	-179.5	53	0	0	111.4	Y254 I267 N268 E269 S276	Y254-Q272 HydrophobicContact CE1-CB 4.48Å; Y254-Q272 WeakPolarHBondContact CE1-O 3.26Å; Y254-Q272 HydrophobicContact CE2-CG 4.29Å; Y254-Q272 PolarHBondContact OH-O 3.05Å; I267-Q272 HydrophobicContact CD1-CG 4.04Å; I267-Q272 HydrophobicContact CG1-CG 4.22Å; I267-Q272 HydrophobicContact CG2-CG 3.86Å; N268-Q272 WeakPolarHBondContact O-CG 3.46Å; N268-Q272 PolarHBondContact O-N 3.03Å; E269-Q272 PolarHBondContact O-N 3.28Å; Q272-S276 WeakPolarHBondContact O-CA 3.36Å; Q272-S276 VanDerWaalsContact O-CB 3.22Å; Q272-S276 WeakPolarHBondContact O-CB 3.2Å; Q272-S276 PolarHBondContact O-N 3.02Å
273	K	96	Very high	84.9	Confident	174 Å²	174	72 Å²	72	76%	0.757	39%	0.394	S	S	*	.	H	α-helix	trans	-62.1	-47.4	176.7	-175.9	175.5	-179.6	179	0	111.8	E269 V270 G271 F275 S276	E269-K273 VanDerWaalsContact O-CB 3.29Å; E269-K273 WeakPolarHBondContact O-CB 3.33Å; E269-K273 PolarHBondContact O-N 3.05Å; V270-K273 PolarHBondContact O-N 2.9Å; G271-K273 VanDerWaalsContact C-N 3.34Å; G271-K273 PolarHBondContact O-N 2.94Å; K273-F275 VanDerWaalsContact C-N 3.33Å; K273-F275 PolarHBondContact O-N 2.9Å; K273-S276 PolarHBondContact O-OG 3.47Å
274	K	96.2	Very high	82.2	Confident	124 Å²	124	80.7 Å²	80.7	54%	0.539	45%	0.448	S	S	.	.	H	α-helix	trans	-62.7	-36.1	-177.3	-178.1	178.5	176.8	-174.4	0	113.1	R84 V270 G271	R84-K274 PolarHBondContact O-NZ 2.97Å; V270-K274 WeakPolarHBondContact O-CB 3.45Å; V270-K274 PolarHBondContact O-N 3.2Å; G271-K274 PolarHBondContact O-N 3.02Å
275	F	95.2	Very high	81.4	Confident	20 Å²	20	84.7 Å²	84.7	9%	0.088	47%	0.47	C	S	.	.	H	α-helix	trans	-110.1	8.8	-174.8	-65.1	-78.9	0	0	0	113.8	Y85 Y254 N255 N257 F258 G271 K273	Y85-F275 HydrophobicContact CD1-CE2 4Å; Y85-F275 AromaticContact CD1-CZ 3.81Å; Y85-F275 HydrophobicContact CD1-CZ 3.81Å; Y85-F275 HydrophobicContact CE1-CE1 4.36Å; Y85-F275 HydrophobicContact CE1-CE2 4.41Å; Y85-F275 AromaticContact CE1-CZ 3.91Å; Y85-F275 HydrophobicContact CE1-CZ 3.91Å; Y254-F275 HydrophobicContact CD1-CB 3.79Å; Y254-F275 HydrophobicContact CE1-CB 4.11Å; N255-F275 PolarHBondContact ND2-O 3.18Å; N257-F275 HydrophobicContact CB-CD1 3.96Å; N257-F275 HydrophobicContact CB-CE1 4.33Å; N257-F275 HydrophobicContact CB-CG 4.39Å; N257-F275 VanDerWaalsContact CG-CD1 3.4Å; N257-F275 WeakPolarHBondContact OD1-CD1 3.42Å; N257-F275 WeakPolarHBondContact OD1-CE1 3.41Å; F258-F275 HydrophobicContact CE1-CD2 4.48Å; F258-F275 HydrophobicContact CE1-CE2 4.28Å; F258-F275 HydrophobicContact CE2-CB 4.11Å; F258-F275 AromaticContact CE2-CD2 3.52Å; F258-F275 HydrophobicContact CE2-CD2 3.52Å; F258-F275 HydrophobicContact CE2-CE2 4Å; F258-F275 AromaticContact CE2-CG 3.82Å; F258-F275 HydrophobicContact CE2-CG 3.82Å; F258-F275 AromaticContact CZ-CD2 3.32Å; F258-F275 HydrophobicContact CZ-CD2 3.32Å; F258-F275 AromaticContact CZ-CE2 3.48Å; F258-F275 HydrophobicContact CZ-CE2 3.48Å; F258-F275 VanDerWaalsContact CZ-CE2 3.48Å; F258-F275 HydrophobicContact CZ-CG 4.11Å; F258-F275 HydrophobicContact CZ-CZ 4.37Å; G271-F275 WeakPolarHBondContact O-CD2 3.24Å; G271-F275 PolarHBondContact O-N 3.19Å; K273-F275 VanDerWaalsContact C-N 3.33Å; K273-F275 PolarHBondContact O-N 2.9Å
276	S	94.1	Very high	80.5	Confident	62 Å²	62	89.2 Å²	89.2	43%	0.434	50%	0.495	S	S	.	.			trans	-63.6	144.9	174.5	60.9	0	0	0	0	110.6	Q272 K273	Q272-S276 WeakPolarHBondContact O-CA 3.36Å; Q272-S276 VanDerWaalsContact O-CB 3.22Å; Q272-S276 WeakPolarHBondContact O-CB 3.2Å; Q272-S276 PolarHBondContact O-N 3.02Å; K273-S276 PolarHBondContact O-OG 3.47Å
277	V	88.9	Confident	79.5	Confident	62 Å²	62	93.8 Å²	93.8	38%	0.376	52%	0.521	S	S	.	.			trans	-110.5	144.2	171.7	-62.3	0	0	0	0	109.2	V166 N167 N255 C279	V166-V277 HydrophobicContact CG1-CG2 4.3Å; N167-V277 PolarHBondContact ND2-O 3.35Å; N167-V277 WeakPolarHBondContact OD1-CG2 3.13Å; N167-V277 PolarHBondContact OD1-N 3.34Å; N167-V277 PolarHBondContact OD1-O 3.49Å; N255-V277 HydrophobicContact CB-CG1 3.92Å; N255-V277 HydrophobicContact CB-CG2 4.49Å; N255-V277 PolarHBondContact ND2-N 2.85Å; V277-C279 PolarHBondContact O-N 3.48Å
278	P	82.3	Confident	78.4	Confident	105 Å²	105	99.1 Å²	99.1	68%	0.682	55%	0.55	S	S	*	*			trans	-55	134.2	171.6	-21.5	31.9	0	0	0	109.1	T280	P278-T280 HydrophobicContact CB-CG2 4.37Å; P278-T280 PolarHBondContact O-N 2.86Å
279	C	66.9	Low	77.3	Confident	93 Å²	93	103.9 Å²	103.9	63%	0.628	58%	0.578	S	S	*	*			trans	-66.1	79.3	169.4	-75.5	0	0	0	0	108.8	V277 S281	V277-C279 PolarHBondContact O-N 3.48Å; C279-S281 PolarHBondContact O-N 2.87Å
280	T	59.6	Low	76	Confident	107 Å²	107	99.7 Å²	99.7	66%	0.656	56%	0.564	S	S	*	*			trans	-79.2	98.4	167	58.1	0	0	0	0	106.4	P278 K282	P278-T280 HydrophobicContact CB-CG2 4.37Å; P278-T280 PolarHBondContact O-N 2.86Å; T280-K282 PolarHBondContact O-N 3.33Å
281	S	46.2	Very low	74.5	Confident	105 Å²	105	100.9 Å²	100.9	73%	0.734	57%	0.568	S	S	*	*			trans	-62.8	82.1	160.6	47.3	0	0	0	0	108.1	C279 P283	C279-S281 PolarHBondContact O-N 2.87Å; S281-P283 WeakPolarHBondContact O-CD 3.14Å
282	K	41.4	Very low	72.7	Confident	184 Å²	184	108.7 Å²	108.7	80%	0.8	61%	0.612	S	S	*	*			trans	-80.4	114	158.8	-82.1	-167.1	175.9	-177.3	0	106.5	T280	T280-K282 PolarHBondContact O-N 3.33Å
283	P	41.4	Very low	70.7	Confident	121 Å²	121	113.4 Å²	113.4	79%	0.786	64%	0.643	S	S	*	*			trans	-64	142.4	170.8	-4.8	21.3	0	0	0	108.5	S281	S281-P283 WeakPolarHBondContact O-CD 3.14Å
284	V	40.4	Very low	68.4	Low	204 Å²	204	107.9 Å²	107.9	100%	1.236	63%	0.633	S	S	*	*			trans	-17.6	0	175	-176.1	0	0	0	0	115.6

Retrieved 284 of 284 residues in 108.2 ms (Link to these results)

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