A0A087X8H8_POEFO Loading...

Protein kinase cAMP-dependent X-linked catalytic subunit

AlphaFold DB , UniProt , Accession A0A087X8H8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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	31.6	Very low	31.1	Very low	245 Å²	245	123.5 Å²	123.5	100%	1.207	58%	0.576	S	S	*	*				0	153.4	0	-73.2	140.9	170.5	0	0	108
2	R	22.2	Very low	31.8	Very low	232 Å²	232	116.2 Å²	116.2	88%	0.875	54%	0.543	S	S	*	.			trans	-82.3	146.3	171.5	-65.5	-177.2	-178	175.9	1	108.9
3	P	25.6	Very low	32.3	Very low	97 Å²	97	115.2 Å²	115.2	63%	0.63	54%	0.544	S	S	*	.			trans	-64.5	134.2	165.1	-9.8	25	0	0	0	108.6
4	V	26.6	Very low	32.7	Very low	101 Å²	101	114.6 Å²	114.6	61%	0.612	54%	0.541	S	S	*	.			trans	-94.4	93.9	168.6	-172.4	0	0	0	0	105.9	Y6	V4-Y6 HydrophobicContact CB-CD2 4.21Å; V4-Y6 HydrophobicContact CB-CE2 3.74Å; V4-Y6 HydrophobicContact CG1-CD2 3.82Å; V4-Y6 HydrophobicContact CG1-CE2 3.31Å; V4-Y6 VanDerWaalsContact O-CD2 3.24Å; V4-Y6 WeakPolarHBondContact O-CD2 3.47Å; V4-Y6 PolarHBondContact O-N 3.46Å; V4-Y6 VanDerWaalsContact O-N 3.14Å
5	H	29	Very low	33.2	Very low	123 Å²	123	107.3 Å²	107.3	57%	0.569	51%	0.507	S	S	*	.			trans	-73.7	102.4	177.3	-68.2	-80.8	0	0	0	109.1	H7	H5-H7 PolarHBondContact O-N 3.37Å
6	Y	29.5	Very low	33.7	Very low	114 Å²	114	105.1 Å²	105.1	45%	0.447	50%	0.502	S	S	.	.			trans	-76.6	57.2	177.5	-78.2	-93.3	0	0	0	112	V4 Y8	V4-Y6 HydrophobicContact CB-CD2 4.21Å; V4-Y6 HydrophobicContact CB-CE2 3.74Å; V4-Y6 HydrophobicContact CG1-CD2 3.82Å; V4-Y6 HydrophobicContact CG1-CE2 3.31Å; V4-Y6 VanDerWaalsContact O-CD2 3.24Å; V4-Y6 WeakPolarHBondContact O-CD2 3.47Å; V4-Y6 PolarHBondContact O-N 3.46Å; V4-Y6 VanDerWaalsContact O-N 3.14Å; Y6-Y8 AromaticContact CD1-CD2 3.5Å; Y6-Y8 HydrophobicContact CD1-CD2 3.5Å; Y6-Y8 VanDerWaalsContact CD1-CD2 3.5Å; Y6-Y8 AromaticContact CD1-CE2 3.36Å; Y6-Y8 HydrophobicContact CD1-CE2 3.36Å; Y6-Y8 HydrophobicContact CE1-CD2 4.44Å; Y6-Y8 AromaticContact CE1-CE2 3.96Å; Y6-Y8 HydrophobicContact CE1-CE2 3.96Å; Y6-Y8 HydrophobicContact CG-CD2 4.08Å; Y6-Y8 HydrophobicContact CG-CE2 4.04Å; Y6-Y8 PolarHBondContact O-N 3.09Å
7	H	32.8	Very low	33.9	Very low	132 Å²	132	106.8 Å²	106.8	61%	0.611	51%	0.514	S	S	*	.			trans	-74.4	59.9	169.1	-77.1	-33.3	0	0	0	111.6	H5 F9	H5-H7 PolarHBondContact O-N 3.37Å; H7-F9 VanDerWaalsContact C-N 3.32Å; H7-F9 PolarHBondContact O-N 2.61Å
8	Y	33.5	Very low	34.3	Very low	106 Å²	106	105.4 Å²	105.4	42%	0.416	51%	0.507	S	S	.	.			trans	-93.2	51.8	179.2	-71	-86.9	0	0	0	112.7	Y6 I10	Y6-Y8 AromaticContact CD1-CD2 3.5Å; Y6-Y8 HydrophobicContact CD1-CD2 3.5Å; Y6-Y8 VanDerWaalsContact CD1-CD2 3.5Å; Y6-Y8 AromaticContact CD1-CE2 3.36Å; Y6-Y8 HydrophobicContact CD1-CE2 3.36Å; Y6-Y8 HydrophobicContact CE1-CD2 4.44Å; Y6-Y8 AromaticContact CE1-CE2 3.96Å; Y6-Y8 HydrophobicContact CE1-CE2 3.96Å; Y6-Y8 HydrophobicContact CG-CD2 4.08Å; Y6-Y8 HydrophobicContact CG-CE2 4.04Å; Y6-Y8 PolarHBondContact O-N 3.09Å; Y8-I10 HydrophobicContact CD1-CD1 4.47Å; Y8-I10 HydrophobicContact CD1-CG1 4.31Å; Y8-I10 PolarHBondContact O-N 3.47Å
9	F	37.8	Very low	34.8	Very low	67 Å²	67	100.6 Å²	100.6	29%	0.294	48%	0.484	S	S	.	.			trans	-76	78.4	151.5	-93.7	-77.4	0	0	0	108.4	H7 Q11 T69 D200 F203	H7-F9 VanDerWaalsContact C-N 3.32Å; H7-F9 PolarHBondContact O-N 2.61Å; F9-Q11 PolarHBondContact O-N 2.94Å; F9-T69 VanDerWaalsContact CB-OG1 3.31Å; F9-T69 WeakPolarHBondContact CB-OG1 3.17Å; F9-T69 WeakPolarHBondContact CD2-OG1 3.13Å; F9-T69 VanDerWaalsContact CG-OG1 3.29Å; F9-T69 WeakPolarHBondContact CG-OG1 3.45Å; F9-D200 WeakPolarHBondContact CZ-OD2 3.5Å; F9-F203 HydrophobicContact CD1-CE1 4.42Å; F9-F203 HydrophobicContact CD1-CE2 4.24Å; F9-F203 AromaticContact CD1-CZ 3.72Å; F9-F203 HydrophobicContact CD1-CZ 3.72Å; F9-F203 HydrophobicContact CE1-CE1 4.13Å; F9-F203 AromaticContact CE1-CE2 3.91Å; F9-F203 HydrophobicContact CE1-CE2 3.91Å; F9-F203 AromaticContact CE1-CZ 3.63Å; F9-F203 HydrophobicContact CE1-CZ 3.63Å
10	I	33.6	Very low	35.2	Very low	34 Å²	34	98.5 Å²	98.5	17%	0.174	48%	0.483	C	S	.	.			trans	-59.6	123.8	176.4	-66.9	-177.8	0	0	0	108.6	Y8 I12 L15 P218	Y8-I10 HydrophobicContact CD1-CD1 4.47Å; Y8-I10 HydrophobicContact CD1-CG1 4.31Å; Y8-I10 PolarHBondContact O-N 3.47Å; I10-I12 PolarHBondContact O-N 2.68Å; I10-L15 HydrophobicContact CD1-CD1 4.45Å; I10-L15 HydrophobicContact CG2-CB 4.11Å; I10-L15 HydrophobicContact CG2-CD1 4.02Å; I10-L15 HydrophobicContact CG2-CD2 4.22Å; I10-L15 HydrophobicContact CG2-CG 4.35Å; I10-P218 HydrophobicContact CD1-CG 3.43Å; I10-P218 VanDerWaalsContact CD1-CG 3.43Å
11	Q	39.8	Very low	35.4	Very low	107 Å²	107	97.7 Å²	97.7	50%	0.5	49%	0.493	S	S	.	.			trans	-61.1	125	171.8	-68.5	-179.1	-51.8	0	0	108.6	F9 D13 E14	F9-Q11 PolarHBondContact O-N 2.94Å; Q11-D13 PolarHBondContact O-N 2.75Å; Q11-E14 PolarHBondContact O-N 2.94Å
12	I	40.2	Very low	35.9	Very low	36 Å²	36	90.6 Å²	90.6	19%	0.185	46%	0.459	C	S	.	.	H	α-helix	trans	-53.3	-32.2	-177.6	-64.3	173.2	0	0	0	111	I10 V16 T213	I10-I12 PolarHBondContact O-N 2.68Å; I12-V16 HydrophobicContact CG2-CG2 4.43Å; I12-V16 WeakPolarHBondContact O-CB 3.36Å; I12-V16 VanDerWaalsContact O-CG2 3.25Å; I12-V16 WeakPolarHBondContact O-CG2 3.05Å; I12-V16 PolarHBondContact O-N 3.18Å; I12-V16 VanDerWaalsContact O-N 3.14Å; I12-T213 HydrophobicContact CD1-CG2 4.1Å
13	D	37.8	Very low	36.9	Very low	104 Å²	104	88 Å²	88	56%	0.556	45%	0.45	S	S	*	.	H	α-helix	trans	-65.7	-40.3	177.7	-65.3	-32.1	0	0	0	114	Q11 L17	Q11-D13 PolarHBondContact O-N 2.75Å; D13-L17 WeakPolarHBondContact O-CG 3.19Å; D13-L17 PolarHBondContact O-N 3.42Å; D13-L17 VanDerWaalsContact O-N 3.08Å
14	E	38.4	Very low	37.3	Very low	106 Å²	106	88.2 Å²	88.2	50%	0.495	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-43.2	178.1	-84.2	-153.2	125.7	0	0	111.5	Q11 L17 Q18	Q11-E14 PolarHBondContact O-N 2.94Å; E14-L17 PolarHBondContact O-N 2.86Å; E14-Q18 WeakPolarHBondContact O-CG 3.31Å; E14-Q18 PolarHBondContact O-N 2.63Å
15	L	40.2	Very low	37.5	Very low	6 Å²	6	93.2 Å²	93.2	3%	0.031	47%	0.467	C	S	.	.	H	α-helix	trans	-70.1	-35.8	-177.5	-135.3	59.2	0	0	0	111.6	I10 Q18 M19 L214 L221 Y263	I10-L15 HydrophobicContact CD1-CD1 4.45Å; I10-L15 HydrophobicContact CG2-CB 4.11Å; I10-L15 HydrophobicContact CG2-CD1 4.02Å; I10-L15 HydrophobicContact CG2-CD2 4.22Å; I10-L15 HydrophobicContact CG2-CG 4.35Å; L15-Q18 PolarHBondContact O-N 2.85Å; L15-M19 WeakPolarHBondContact O-CB 3.18Å; L15-M19 WeakPolarHBondContact O-CG 3.33Å; L15-M19 PolarHBondContact O-N 2.63Å; L15-L214 HydrophobicContact CB-CD2 3.87Å; L15-L214 HydrophobicContact CB-CG 4.33Å; L15-L214 HydrophobicContact CD2-CD1 4.03Å; L15-L214 HydrophobicContact CD2-CD2 4.05Å; L15-L214 HydrophobicContact CD2-CG 3.91Å; L15-L214 HydrophobicContact CG-CD2 4.01Å; L15-L214 HydrophobicContact CG-CG 4.41Å; L15-L221 HydrophobicContact CD2-CD1 4.43Å; L15-Y263 HydrophobicContact CD1-CE2 4Å; L15-Y263 WeakPolarHBondContact CD1-OH 3.39Å; L15-Y263 WeakPolarHBondContact CD2-OH 3.47Å; L15-Y263 HydrophobicContact CG-CE2 4.43Å
16	V	40.7	Very low	37.5	Very low	72 Å²	72	92 Å²	92	44%	0.436	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-40.6	171.8	167	0	0	0	0	111.9	I12 A20	I12-V16 HydrophobicContact CG2-CG2 4.43Å; I12-V16 WeakPolarHBondContact O-CB 3.36Å; I12-V16 VanDerWaalsContact O-CG2 3.25Å; I12-V16 WeakPolarHBondContact O-CG2 3.05Å; I12-V16 PolarHBondContact O-N 3.18Å; I12-V16 VanDerWaalsContact O-N 3.14Å; V16-A20 PolarHBondContact O-N 2.76Å
17	L	37.6	Very low	37.3	Very low	133 Å²	133	93.1 Å²	93.1	70%	0.696	50%	0.497	S	S	*	.	H	α-helix	trans	-65.3	-47.1	175.7	-74	166.9	0	0	0	112	D13 E14 M19 A20	D13-L17 WeakPolarHBondContact O-CG 3.19Å; D13-L17 PolarHBondContact O-N 3.42Å; D13-L17 VanDerWaalsContact O-N 3.08Å; E14-L17 PolarHBondContact O-N 2.86Å; L17-M19 VanDerWaalsContact C-N 3.33Å; L17-M19 PolarHBondContact O-N 2.85Å; L17-A20 WeakPolarHBondContact O-CB 3.03Å; L17-A20 PolarHBondContact O-N 3.08Å
18	Q	41.2	Very low	37.1	Very low	82 Å²	82	92.4 Å²	92.4	38%	0.383	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-36.2	180	-68.6	174.6	21.7	0	0	112.6	E14 L15 A20	E14-Q18 WeakPolarHBondContact O-CG 3.31Å; E14-Q18 PolarHBondContact O-N 2.63Å; L15-Q18 PolarHBondContact O-N 2.85Å; Q18-A20 VanDerWaalsContact C-N 3.32Å; Q18-A20 PolarHBondContact O-N 2.88Å
19	M	44.1	Very low	36.7	Very low	14 Å²	14	92.8 Å²	92.8	7%	0.069	53%	0.525	C	S	.	.	H	α-helix	trans	-77.4	-11.3	-179	-63.7	-118.9	68.3	0	0	114.1	L15 L17 A21 L22 L214 I226	L15-M19 WeakPolarHBondContact O-CB 3.18Å; L15-M19 WeakPolarHBondContact O-CG 3.33Å; L15-M19 PolarHBondContact O-N 2.63Å; L17-M19 VanDerWaalsContact C-N 3.33Å; L17-M19 PolarHBondContact O-N 2.85Å; M19-A21 PolarHBondContact O-N 3.47Å; M19-L22 HydrophobicContact CE-CD1 3.48Å; M19-L22 VanDerWaalsContact CE-CD1 3.48Å; M19-L22 PolarHBondContact O-N 3.49Å; M19-L214 HydrophobicContact CG-CD2 4.15Å; M19-L214 HydrophobicContact SD-CD2 4.33Å; M19-I226 HydrophobicContact CE-CG2 3.87Å; M19-I226 HydrophobicContact SD-CG2 4.07Å
20	A	41.6	Very low	36	Very low	58 Å²	58	93.5 Å²	93.5	48%	0.479	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-60	-34.6	178.2	0	0	0	0	0	112.7	V16 L17 Q18 L22 R23	V16-A20 PolarHBondContact O-N 2.76Å; L17-A20 WeakPolarHBondContact O-CB 3.03Å; L17-A20 PolarHBondContact O-N 3.08Å; Q18-A20 VanDerWaalsContact C-N 3.32Å; Q18-A20 PolarHBondContact O-N 2.88Å; A20-L22 PolarHBondContact O-N 3.38Å; A20-R23 PolarHBondContact O-N 3.12Å
21	A	39.2	Very low	35.6	Very low	83 Å²	83	98.7 Å²	98.7	69%	0.686	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-64.9	-19.2	-179.3	0	0	0	0	0	114.6	M19	M19-A21 PolarHBondContact O-N 3.47Å
22	L	43.1	Very low	34.9	Very low	95 Å²	95	98.5 Å²	98.5	50%	0.497	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-95.2	-0.2	-175.7	-75.7	168.5	0	0	0	114.4	M19 A20 S24 F260	M19-L22 HydrophobicContact CE-CD1 3.48Å; M19-L22 VanDerWaalsContact CE-CD1 3.48Å; M19-L22 PolarHBondContact O-N 3.49Å; A20-L22 PolarHBondContact O-N 3.38Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 2.98Å; L22-F260 HydrophobicContact CD1-CE2 3.74Å; L22-F260 HydrophobicContact CD1-CZ 4.39Å; L22-F260 HydrophobicContact CG-CE2 4.25Å
23	R	43	Very low	34.2	Very low	179 Å²	179	102 Å²	102	68%	0.675	62%	0.618	S	S	*	*			trans	-76.8	-5.1	-171.4	-67.1	-172.2	172.7	-162.3	-3.1	115.4	A20 K25	A20-R23 PolarHBondContact O-N 3.12Å; R23-K25 PolarHBondContact O-N 2.85Å
24	S	33.4	Very low	33.6	Very low	101 Å²	101	104.5 Å²	104.5	71%	0.706	63%	0.63	S	S	*	*	S	Bend	trans	-91.6	51.1	-173.1	57.6	0	0	0	0	115.3	L22	L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 2.98Å
25	K	31.9	Very low	33	Very low	205 Å²	205	111.2 Å²	111.2	89%	0.891	65%	0.651	S	S	*	*	S	Bend	trans	179.9	94.9	156.9	-99.5	148.7	-169.5	177.9	0	113.6	R23	R23-K25 PolarHBondContact O-N 2.85Å
26	A	27.9	Very low	32.3	Very low	98 Å²	98	118.6 Å²	118.6	81%	0.81	69%	0.69	S	S	*	*			trans	165.5	133.2	144.6	0	0	0	0	0	110.8
27	T	26.5	Very low	31.5	Very low	138 Å²	138	118.9 Å²	118.9	85%	0.847	71%	0.708	S	S	*	*			trans	-148.8	161.6	-179.8	39.5	0	0	0	0	112.2
28	S	27.2	Very low	30.9	Very low	116 Å²	116	122 Å²	122	81%	0.811	72%	0.716	S	S	*	*			trans	68.9	159.1	177.1	100.6	0	0	0	0	116.2
29	S	26.3	Very low	30.2	Very low	115 Å²	115	123.2 Å²	123.2	80%	0.804	73%	0.734	S	S	*	*			cis	175	143.5	-26.9	49.5	0	0	0	0	107.4
30	G	23.4	Very low	29.4	Very low	81 Å²	81	128.1 Å²	128.1	84%	0.835	77%	0.769	S	S	*	*			cis	-163.1	-146	-3.1	0	0	0	0	0	105.8
31	D	24.9	Very low	28.7	Very low	144 Å²	144	130.4 Å²	130.4	77%	0.77	79%	0.788	S	S	*	*			cis	-166.4	152.3	-29.8	170.8	60.5	0	0	0	108.8
32	S	24.5	Very low	28.1	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	79%	0.789	S	S	*	*			trans	47.9	167.1	167.9	64	0	0	0	0	119.1
33	S	24.8	Very low	27.3	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	81%	0.808	S	S	*	*			cis	-147	-173.8	3.9	57	0	0	0	0	111.3
34	L	25.1	Very low	27	Very low	155 Å²	155	129.3 Å²	129.3	81%	0.812	82%	0.817	S	S	*	*			trans	-96.6	167	-166.6	-50.6	90.7	0	0	0	116.6
35	R	26.2	Very low	27	Very low	247 Å²	247	129.2 Å²	129.2	93%	0.932	82%	0.822	S	S	*	*			trans	-171.2	155.4	137.5	-103.2	160.4	-161.1	-147.8	3.1	114.6
36	D	25.2	Very low	26.9	Very low	161 Å²	161	129 Å²	129	86%	0.861	83%	0.825	S	S	*	*			trans	-97.1	165.7	-168.2	-47.6	-95	0	0	0	116.1
37	G	24.3	Very low	27.1	Very low	79 Å²	79	128.8 Å²	128.8	81%	0.814	82%	0.823	S	S	*	*			trans	-173.4	52.9	-178.5	0	0	0	0	0	121
38	K	25.7	Very low	27.4	Very low	198 Å²	198	127.2 Å²	127.2	86%	0.861	82%	0.824	S	S	*	*			trans	14.6	112.1	159.2	-67.5	-177.7	178.1	179.5	0	122.4
39	S	25.9	Very low	28.1	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	81%	0.808	S	S	*	*				31.6	137	125.3	65.6	0	0	0	0	124
40	S	26.8	Very low	28.8	Very low	116 Å²	116	126.9 Å²	126.9	81%	0.811	81%	0.812	S	S	*	*				-179.1	151.9	113.1	46.4	0	0	0	0	114.9
41	A	28.1	Very low	30.5	Very low	106 Å²	106	128.8 Å²	128.8	88%	0.876	81%	0.812	S	S	*	*			trans	38.7	145.9	159.4	0	0	0	0	0	122.5
42	G	25.2	Very low	32.8	Very low	69 Å²	69	125.2 Å²	125.2	71%	0.711	79%	0.788	S	S	*	*			cis	140.6	143.7	-6.1	0	0	0	0	0	114.3
43	C	26.6	Very low	35.6	Very low	133 Å²	133	127 Å²	127	90%	0.899	79%	0.788	S	S	*	*			trans	85.4	154	176.1	-60.3	0	0	0	0	118.3
44	P	36.8	Very low	38.7	Very low	133 Å²	133	122.9 Å²	122.9	86%	0.864	76%	0.756	S	S	*	*			cis	-115.5	-178.6	-21.9	37.2	-22.5	0	0	0	112.3
45	A	34.6	Very low	41.9	Very low	99 Å²	99	117.2 Å²	117.2	82%	0.818	73%	0.73	S	S	*	*			trans	-117.8	131.2	-175.4	0	0	0	0	0	113.9
46	E	29.3	Very low	45.1	Very low	200 Å²	200	107.9 Å²	107.9	94%	0.935	70%	0.698	S	S	*	*			trans	-136.3	142.1	157.7	-72	-170.8	141.5	0	0	107.6
47	A	31.2	Very low	48.4	Very low	94 Å²	94	106.9 Å²	106.9	78%	0.777	69%	0.692	S	S	*	*			cis	-139.1	151.5	-6.3	0	0	0	0	0	110.1	A49	A47-A49 PolarHBondContact O-N 2.86Å
48	A	34.5	Very low	51.7	Low	105 Å²	105	105.3 Å²	105.3	87%	0.868	66%	0.664	S	S	*	*			trans	-71	98.5	171.2	0	0	0	0	0	109.6	N50	A48-N50 PolarHBondContact O-N 2.82Å
49	A	41.5	Very low	54.9	Low	58 Å²	58	96.4 Å²	96.4	48%	0.479	63%	0.626	S	S	.	*			trans	-63.9	131.5	170.8	0	0	0	0	0	109.5	A47 S51	A47-A49 PolarHBondContact O-N 2.86Å; A49-S51 PolarHBondContact O-N 3.41Å
50	N	40.2	Very low	58.3	Low	165 Å²	165	96 Å²	96	88%	0.882	61%	0.612	S	S	*	*			trans	-50.3	116.4	176.6	-79.6	-41.4	0	0	0	110.4	A48 R52	A48-N50 PolarHBondContact O-N 2.82Å; N50-R52 PolarHBondContact O-N 3.06Å
51	S	59.3	Low	61.5	Low	121 Å²	121	94.6 Å²	94.6	85%	0.846	60%	0.599	S	S	*	*			trans	-72.9	79.4	175.6	-169.9	0	0	0	0	109.3	A49 I53	A49-S51 PolarHBondContact O-N 3.41Å; S51-I53 PolarHBondContact O-N 3.35Å
52	R	74.1	Confident	64.5	Low	70 Å²	70	94.3 Å²	94.3	26%	0.264	58%	0.58	S	S	.	*			trans	-69.7	121.9	172.6	174.8	174.9	170.7	-167.8	-9.2	108.4	N50 Y54 E58 D78	N50-R52 PolarHBondContact O-N 3.06Å; R52-Y54 HydrophobicContact CB-CE2 4.26Å; R52-Y54 HydrophobicContact CG-CE2 4.23Å; R52-Y54 WeakPolarHBondContact O-CD2 3.38Å; R52-Y54 WeakPolarHBondContact O-CE2 3.24Å; R52-E58 IonicContact NH2-OE2 3.66Å; R52-E58 PolarHBondContact NH2-OE2 3.24Å; R52-D78 IonicContact CZ-OD1 2.69Å; R52-D78 IonicContact CZ-OD2 2.64Å; R52-D78 IonicContact NH1-OD1 3.58Å; R52-D78 IonicContact NH1-OD2 2.67Å; R52-D78 PolarHBondContact NH1-OD2 2.92Å; R52-D78 IonicContact NH2-OD1 2.7Å; R52-D78 PolarHBondContact NH2-OD1 2.82Å; R52-D78 IonicContact NH2-OD2 2.65Å; R52-D78 PolarHBondContact NH2-OD2 3.05Å
53	I	82.8	Confident	67.6	Low	139 Å²	139	92.4 Å²	92.4	71%	0.713	56%	0.558	S	S	*	*			trans	-72	131	168.5	-54.3	175.8	0	0	0	108.4	S51	S51-I53 PolarHBondContact O-N 3.35Å
54	Y	90.6	Very high	70.7	Confident	24 Å²	24	86.5 Å²	86.5	9%	0.094	52%	0.518	C	S	.	.			trans	-107.8	164.9	170.1	-62.8	-96.5	0	0	0	109.5	R52 F85 F123 W124 L135	R52-Y54 HydrophobicContact CB-CE2 4.26Å; R52-Y54 HydrophobicContact CG-CE2 4.23Å; R52-Y54 WeakPolarHBondContact O-CD2 3.38Å; R52-Y54 WeakPolarHBondContact O-CE2 3.24Å; Y54-F85 HydrophobicContact CE1-CE2 4.25Å; Y54-F85 HydrophobicContact CE1-CZ 4.12Å; Y54-F123 HydrophobicContact CE2-CB 4.13Å; Y54-W124 HydrophobicContact CD2-CB 3.78Å; Y54-W124 HydrophobicContact CD2-CG 4.13Å; Y54-W124 HydrophobicContact CG-CB 4.36Å; Y54-W124 HydrophobicContact CG-CG 4.44Å; Y54-W124 VanDerWaalsContact O-CE2 3.31Å; Y54-W124 VanDerWaalsContact O-CZ2 3.26Å; Y54-W124 WeakPolarHBondContact O-CZ2 3.11Å; Y54-W124 PolarHBondContact O-NE1 2.94Å; Y54-L135 HydrophobicContact CD1-CD2 3.6Å; Y54-L135 HydrophobicContact CD2-CD2 4.02Å; Y54-L135 HydrophobicContact CE1-CD2 3.85Å; Y54-L135 HydrophobicContact CE2-CD2 4.25Å; Y54-L135 HydrophobicContact CG-CD2 3.69Å
55	S	92.2	Very high	73.1	Confident	37 Å²	37	80.7 Å²	80.7	26%	0.259	48%	0.479	S	S	.	.			trans	-145.9	155.5	171.6	63.2	0	0	0	0	109.4	D57 E58	S55-D57 VanDerWaalsContact C-N 3.26Å; S55-D57 PolarHBondContact O-N 3.25Å; S55-E58 PolarHBondContact O-N 2.74Å; S55-E58 VanDerWaalsContact O-N 3.1Å; S55-E58 WeakPolarHBondContact OG-CG 3.4Å
56	L	92.9	Very high	75.5	Confident	51 Å²	51	76.5 Å²	76.5	27%	0.267	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-61.7	-36.1	179.5	-62.2	178.6	0	0	0	111.9	E58 L59 L87 W124 Y133	L56-E58 PolarHBondContact O-N 3.26Å; L56-L59 PolarHBondContact O-N 3.1Å; L56-L87 HydrophobicContact CD2-CD2 4.4Å; L56-W124 HydrophobicContact CD2-CH2 3.95Å; L56-W124 HydrophobicContact CD2-CZ3 3.86Å; L56-W124 HydrophobicContact CG-CH2 4.1Å; L56-Y133 HydrophobicContact CD1-CD2 4.22Å; L56-Y133 HydrophobicContact CD1-CE1 4.15Å; L56-Y133 HydrophobicContact CD1-CE2 3.71Å; L56-Y133 HydrophobicContact CD2-CD1 3.82Å; L56-Y133 HydrophobicContact CD2-CD2 4.38Å; L56-Y133 HydrophobicContact CD2-CE1 3.94Å; L56-Y133 HydrophobicContact CD2-CG 4.04Å
57	D	93.1	Very high	78	Confident	140 Å²	140	69.2 Å²	69.2	75%	0.749	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-63.8	-23.7	176.5	-62.6	-51.5	0	0	0	113.4	S55 K79	S55-D57 VanDerWaalsContact C-N 3.26Å; S55-D57 PolarHBondContact O-N 3.25Å; D57-K79 WeakPolarHBondContact O-CD 3.41Å; D57-K79 PolarHBondContact O-NZ 3.24Å
58	E	93.6	Very high	80.1	Confident	46 Å²	46	66.8 Å²	66.8	22%	0.215	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-85.6	-9.7	175.8	-73.4	179.3	-159.8	0	0	113.5	R52 S55 L56 K79 K80	R52-E58 IonicContact NH2-OE2 3.66Å; R52-E58 PolarHBondContact NH2-OE2 3.24Å; S55-E58 PolarHBondContact O-N 2.74Å; S55-E58 VanDerWaalsContact O-N 3.1Å; S55-E58 WeakPolarHBondContact OG-CG 3.4Å; L56-E58 PolarHBondContact O-N 3.26Å; E58-K79 WeakPolarHBondContact O-CB 3.33Å; E58-K79 WeakPolarHBondContact O-CG 3.47Å; E58-K79 PolarHBondContact O-N 2.84Å; E58-K80 VanDerWaalsContact OE1-CE 3.29Å; E58-K80 WeakPolarHBondContact OE1-CE 3.29Å; E58-K80 IonicContact OE1-NZ 3.75Å; E58-K80 PolarHBondContact OE1-NZ 2.89Å; E58-K80 WeakPolarHBondContact OE2-CD 3.37Å; E58-K80 WeakPolarHBondContact OE2-CE 3.42Å; E58-K80 IonicContact OE2-NZ 2.74Å; E58-K80 PolarHBondContact OE2-NZ 2.69Å
59	L	94.9	Very high	82.1	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.058	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.6	179.6	-61.1	173.9	0	0	0	110.5	L56 V76 D78 L87 L135	L56-L59 PolarHBondContact O-N 3.1Å; L59-V76 HydrophobicContact CB-CB 4.26Å; L59-V76 HydrophobicContact CB-CG2 4.38Å; L59-V76 HydrophobicContact CD1-CG2 4.38Å; L59-V76 HydrophobicContact CD2-CG2 3.99Å; L59-V76 HydrophobicContact CG-CG2 4.48Å; L59-D78 HydrophobicContact CD2-CB 4.4Å; L59-L87 HydrophobicContact CD1-CD1 4.38Å; L59-L87 HydrophobicContact CD1-CD2 4.35Å; L59-L135 HydrophobicContact CD1-CD1 3.87Å; L59-L135 HydrophobicContact CD1-CD2 4.42Å; L59-L135 HydrophobicContact CD2-CD1 4.15Å; L59-L135 HydrophobicContact CD2-CD2 4.37Å
60	E	95.6	Very high	83.9	Confident	98 Å²	98	63.7 Å²	63.7	46%	0.458	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	106.8	175.9	-173	173.2	-177	0	0	109.1	M62 V76 K77 K79	E60-M62 PolarHBondContact O-N 2.55Å; E60-V76 CarbonylContact O-C 3.52Å; E60-V76 VanDerWaalsContact O-CA 3.28Å; E60-V76 WeakPolarHBondContact O-CA 3.33Å; E60-K77 HydrophobicContact CB-CB 4.39Å; E60-K77 WeakPolarHBondContact CB-O 3.34Å; E60-K77 PolarHBondContact N-O 3.1Å; E60-K77 PolarHBondContact O-N 3.16Å; E60-K79 HydrophobicContact CB-CG 4.3Å
61	T	94.2	Very high	86	Confident	88 Å²	88	56.1 Å²	56.1	54%	0.54	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.2	175.2	-55.8	0	0	0	0	110.8	F74	T61-F74 HydrophobicContact CG2-CB 4.11Å; T61-F74 HydrophobicContact CG2-CD1 3.75Å; T61-F74 HydrophobicContact CG2-CE1 4.47Å; T61-F74 HydrophobicContact CG2-CG 4.1Å
62	M	92.1	Very high	87.4	Confident	100 Å²	100	51 Å²	51	49%	0.493	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-38.5	-176.9	-64.1	-171.9	63.6	0	0	113.9	E60 L75 K77 F84	E60-M62 PolarHBondContact O-N 2.55Å; M62-L75 HydrophobicContact CB-CD2 4.37Å; M62-L75 HydrophobicContact CB-CG 4.29Å; M62-L75 PolarHBondContact N-O 3.02Å; M62-K77 HydrophobicContact CG-CB 4.42Å; M62-K77 HydrophobicContact SD-CB 3.72Å; M62-K77 HydrophobicContact SD-CD 4.03Å; M62-K77 HydrophobicContact SD-CG 4.49Å; M62-F84 HydrophobicContact CE-CE1 4.2Å; M62-F84 HydrophobicContact SD-CD1 4.09Å; M62-F84 HydrophobicContact SD-CE1 3.59Å; M62-F84 VanDerWaalsContact SD-CE1 3.59Å
63	A	90.6	Very high	88.2	Confident	29 Å²	29	49.4 Å²	49.4	24%	0.24	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	155.4	-179.9	0	0	0	0	0	111.7	V65 F74 L75 T340	A63-V65 HydrophobicContact CB-CG1 4.45Å; A63-F74 CarbonylContact O-C 3.53Å; A63-F74 VanDerWaalsContact O-CA 3.29Å; A63-F74 WeakPolarHBondContact O-CA 3.44Å; A63-L75 HydrophobicContact CB-CB 4.47Å; A63-L75 PolarHBondContact O-N 2.74Å; A63-T340 HydrophobicContact CB-CG2 4.15Å
64	T	89.9	Confident	88.6	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.5	159.5	-55.6	0	0	0	0	108.4	T67 R72 F74 Y346	T64-T67 HydrophobicContact CG2-CG2 4.41Å; T64-R72 HydrophobicContact CG2-CB 4.42Å; T64-R72 HydrophobicContact CG2-CG 4.36Å; T64-R72 PolarHBondContact OG1-NH1 2.6Å; T64-F74 WeakPolarHBondContact OG1-CE1 3.28Å; T64-Y346 HydrophobicContact CG2-CD2 4.12Å; T64-Y346 HydrophobicContact CG2-CG 4.12Å
65	V	87.4	Confident	88.8	Confident	10 Å²	10	43.1 Å²	43.1	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-1.3	178.8	-63.5	0	0	0	0	113.6	A63 V73 L75 Y138 T340 F343	A63-V65 HydrophobicContact CB-CG1 4.45Å; V65-V73 HydrophobicContact CG2-CB 4.34Å; V65-V73 HydrophobicContact CG2-CG1 3.94Å; V65-V73 WeakPolarHBondContact CG2-O 3.38Å; V65-V73 PolarHBondContact N-O 3.39Å; V65-L75 HydrophobicContact CG1-CB 3.77Å; V65-Y138 HydrophobicContact CG1-CE2 4.31Å; V65-Y138 HydrophobicContact CG2-CE2 4.31Å; V65-T340 HydrophobicContact CG1-CG2 3.68Å; V65-F343 HydrophobicContact CB-CD1 4.23Å; V65-F343 HydrophobicContact CB-CG 4.3Å; V65-F343 VanDerWaalsContact O-CD1 3.32Å; V65-F343 WeakPolarHBondContact O-CD1 3.42Å
66	G	85.6	Confident	89	Confident	12 Å²	12	41.3 Å²	41.3	12%	0.124	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	156.8	173.5	0	0	0	0	0	112.9	R72 V73	G66-R72 WeakPolarHBondContact O-CA 3.37Å; G66-V73 PolarHBondContact N-O 2.88Å; G66-V73 PolarHBondContact O-N 2.74Å
67	T	82.6	Confident	89.2	Confident	46 Å²	46	41.5 Å²	41.5	28%	0.282	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.3	176.2	54.3	0	0	0	0	110.1	T64 R72 Y346	T64-T67 HydrophobicContact CG2-CG2 4.41Å; T67-R72 HydrophobicContact CG2-CG 4.36Å; T67-Y346 HydrophobicContact CG2-CD1 3.49Å; T67-Y346 VanDerWaalsContact CG2-CD1 3.49Å; T67-Y346 HydrophobicContact CG2-CE1 3.94Å; T67-Y346 HydrophobicContact CG2-CG 3.91Å; T67-Y346 WeakPolarHBondContact OG1-CE1 3.39Å
68	G	75.3	Confident	89.3	Confident	44 Å²	44	34.9 Å²	34.9	45%	0.454	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	172.6	178.4	0	0	0	0	0	112.3	F70 G71	G68-F70 PolarHBondContact O-N 3.2Å; G68-G71 PolarHBondContact N-O 3.38Å; G68-G71 PolarHBondContact O-N 2.66Å
69	T	74.8	Confident	89.4	Confident	62 Å²	62	37 Å²	37	38%	0.38	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.2	-168.9	-42.8	0	0	0	0	115.6	F9 L98	F9-T69 VanDerWaalsContact CB-OG1 3.31Å; F9-T69 WeakPolarHBondContact CB-OG1 3.17Å; F9-T69 WeakPolarHBondContact CD2-OG1 3.13Å; F9-T69 VanDerWaalsContact CG-OG1 3.29Å; F9-T69 WeakPolarHBondContact CG-OG1 3.45Å; T69-L98 HydrophobicContact CG2-CD1 4.26Å
70	F	79.9	Confident	89.2	Confident	35 Å²	35	42.8 Å²	42.8	15%	0.154	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	2.3	-178.6	-29.4	-66.2	0	0	0	112.7	G68 M90 K91 D94 V95 L98 Q100	G68-F70 PolarHBondContact O-N 3.2Å; F70-M90 HydrophobicContact CB-CB 4.32Å; F70-M90 CarbonylContact O-C 3.51Å; F70-M90 WeakPolarHBondContact O-CA 3.37Å; F70-K91 PolarHBondContact O-N 3.26Å; F70-D94 HydrophobicContact CB-CB 4.46Å; F70-V95 HydrophobicContact CB-CG2 3.74Å; F70-V95 HydrophobicContact CD1-CG2 4.48Å; F70-V95 HydrophobicContact CD2-CG2 4.31Å; F70-V95 HydrophobicContact CG-CG2 3.91Å; F70-L98 HydrophobicContact CD1-CD1 3.84Å; F70-L98 HydrophobicContact CE1-CB 4.21Å; F70-L98 HydrophobicContact CE1-CD1 3.75Å; F70-Q100 HydrophobicContact CE1-CB 4.16Å; F70-Q100 HydrophobicContact CE1-CG 3.66Å; F70-Q100 HydrophobicContact CE2-CB 4.41Å; F70-Q100 HydrophobicContact CZ-CB 3.92Å; F70-Q100 HydrophobicContact CZ-CG 3.58Å
71	G	83.9	Confident	89	Confident	6 Å²	6	41.3 Å²	41.3	6%	0.062	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	171.5	-147.7	0	0	0	0	0	117.1	G68 Q89	G68-G71 PolarHBondContact N-O 3.38Å; G68-G71 PolarHBondContact O-N 2.66Å; G71-Q89 CarbonylContact C-O 3.53Å; G71-Q89 WeakPolarHBondContact CA-O 3.22Å
72	R	88.9	Confident	89	Confident	14 Å²	14	42.8 Å²	42.8	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.9	171.3	-74.8	-178.2	169.6	-122.7	-2.7	109.6	T64 G66 T67 F74 Q89 P347 D349 W351	T64-R72 HydrophobicContact CG2-CB 4.42Å; T64-R72 HydrophobicContact CG2-CG 4.36Å; T64-R72 PolarHBondContact OG1-NH1 2.6Å; G66-R72 WeakPolarHBondContact O-CA 3.37Å; T67-R72 HydrophobicContact CG2-CG 4.36Å; R72-F74 HydrophobicContact CB-CD2 4.29Å; R72-F74 HydrophobicContact CB-CE1 4.36Å; R72-F74 HydrophobicContact CB-CE2 3.63Å; R72-F74 HydrophobicContact CB-CZ 3.68Å; R72-F74 HydrophobicContact CG-CZ 4.35Å; R72-Q89 PolarHBondContact N-O 3.27Å; R72-Q89 PolarHBondContact O-N 2.72Å; R72-P347 VanDerWaalsContact CZ-O 3.31Å; R72-P347 PolarHBondContact NH1-O 2.89Å; R72-P347 PolarHBondContact NH2-O 3.1Å; R72-D349 IonicContact NH2-OD2 2.67Å; R72-W351 HydrophobicContact CG-CE3 4.45Å; R72-W351 HydrophobicContact CG-CH2 3.98Å; R72-W351 HydrophobicContact CG-CZ2 4.21Å; R72-W351 HydrophobicContact CG-CZ3 4.1Å
73	V	91.2	Very high	89.1	Confident	37 Å²	37	39.5 Å²	39.5	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.4	168.7	-174.3	0	0	0	0	107.4	V65 G66 A86 L87 K88	V65-V73 HydrophobicContact CG2-CB 4.34Å; V65-V73 HydrophobicContact CG2-CG1 3.94Å; V65-V73 WeakPolarHBondContact CG2-O 3.38Å; V65-V73 PolarHBondContact N-O 3.39Å; G66-V73 PolarHBondContact N-O 2.88Å; G66-V73 PolarHBondContact O-N 2.74Å; V73-A86 HydrophobicContact CG1-CB 3.88Å; V73-L87 WeakPolarHBondContact CA-O 3.29Å; V73-K88 HydrophobicContact CG2-CB 4.34Å; V73-K88 HydrophobicContact CG2-CG 4.33Å
74	F	92.3	Very high	89.3	Confident	28 Å²	28	39.8 Å²	39.8	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137	178.6	-63.3	-79	0	0	0	110.8	T61 A63 T64 R72 V76 A86 L87 Q89	T61-F74 HydrophobicContact CG2-CB 4.11Å; T61-F74 HydrophobicContact CG2-CD1 3.75Å; T61-F74 HydrophobicContact CG2-CE1 4.47Å; T61-F74 HydrophobicContact CG2-CG 4.1Å; A63-F74 CarbonylContact O-C 3.53Å; A63-F74 VanDerWaalsContact O-CA 3.29Å; A63-F74 WeakPolarHBondContact O-CA 3.44Å; T64-F74 WeakPolarHBondContact OG1-CE1 3.28Å; R72-F74 HydrophobicContact CB-CD2 4.29Å; R72-F74 HydrophobicContact CB-CE1 4.36Å; R72-F74 HydrophobicContact CB-CE2 3.63Å; R72-F74 HydrophobicContact CB-CZ 3.68Å; R72-F74 HydrophobicContact CG-CZ 4.35Å; F74-V76 HydrophobicContact CB-CG1 4.05Å; F74-V76 PolarHBondContact O-N 3.03Å; F74-A86 WeakPolarHBondContact O-CA 3.25Å; F74-L87 HydrophobicContact CB-CB 4.49Å; F74-L87 PolarHBondContact N-O 2.79Å; F74-L87 PolarHBondContact O-N 2.93Å; F74-Q89 HydrophobicContact CD2-CB 4.25Å; F74-Q89 HydrophobicContact CE2-CB 3.98Å
75	L	94.8	Very high	89.6	Confident	2 Å²	2	40 Å²	40	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	119.6	157.8	175.9	60.7	0	0	0	107.5	M62 A63 V65 F84 Y138 G338 T340	M62-L75 HydrophobicContact CB-CD2 4.37Å; M62-L75 HydrophobicContact CB-CG 4.29Å; M62-L75 PolarHBondContact N-O 3.02Å; A63-L75 HydrophobicContact CB-CB 4.47Å; A63-L75 PolarHBondContact O-N 2.74Å; V65-L75 HydrophobicContact CG1-CB 3.77Å; L75-F84 HydrophobicContact CD1-CB 3.99Å; L75-F84 HydrophobicContact CD1-CD1 4Å; L75-F84 HydrophobicContact CD1-CG 4.47Å; L75-F84 HydrophobicContact CG-CD1 4.45Å; L75-Y138 HydrophobicContact CD1-CD1 3.6Å; L75-Y138 HydrophobicContact CD1-CD2 3.86Å; L75-Y138 HydrophobicContact CD1-CE1 3.73Å; L75-Y138 HydrophobicContact CD1-CE2 4.03Å; L75-Y138 HydrophobicContact CD1-CG 3.66Å; L75-Y138 HydrophobicContact CD2-CE1 4.37Å; L75-G338 WeakPolarHBondContact CD2-O 3.39Å; L75-T340 HydrophobicContact CD2-CG2 3.53Å
76	V	95.7	Very high	90	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.5	174.1	-56.1	0	0	0	0	110.6	L59 E60 F74 F84 F85 L87 L135	L59-V76 HydrophobicContact CB-CB 4.26Å; L59-V76 HydrophobicContact CB-CG2 4.38Å; L59-V76 HydrophobicContact CD1-CG2 4.38Å; L59-V76 HydrophobicContact CD2-CG2 3.99Å; L59-V76 HydrophobicContact CG-CG2 4.48Å; E60-V76 CarbonylContact O-C 3.52Å; E60-V76 VanDerWaalsContact O-CA 3.28Å; E60-V76 WeakPolarHBondContact O-CA 3.33Å; F74-V76 HydrophobicContact CB-CG1 4.05Å; F74-V76 PolarHBondContact O-N 3.03Å; V76-F84 WeakPolarHBondContact O-CA 3.39Å; V76-F85 HydrophobicContact CG2-CB 3.92Å; V76-F85 PolarHBondContact N-O 2.92Å; V76-F85 PolarHBondContact O-N 2.99Å; V76-L87 HydrophobicContact CB-CB 4.5Å; V76-L87 HydrophobicContact CG1-CB 3.65Å; V76-L87 HydrophobicContact CG1-CD2 3.92Å; V76-L87 HydrophobicContact CG1-CG 4.45Å; V76-L87 HydrophobicContact CG2-CB 3.96Å; V76-L135 HydrophobicContact CG2-CD1 3.71Å
77	K	96.6	Very high	90.5	Very high	55 Å²	55	39.8 Å²	39.8	24%	0.239	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129	174.7	-170	175.5	-165.6	169.2	0	110.1	E60 M62 K79 K82 F84	E60-K77 HydrophobicContact CB-CB 4.39Å; E60-K77 WeakPolarHBondContact CB-O 3.34Å; E60-K77 PolarHBondContact N-O 3.1Å; E60-K77 PolarHBondContact O-N 3.16Å; M62-K77 HydrophobicContact CG-CB 4.42Å; M62-K77 HydrophobicContact SD-CB 3.72Å; M62-K77 HydrophobicContact SD-CD 4.03Å; M62-K77 HydrophobicContact SD-CG 4.49Å; K77-K79 PolarHBondContact O-N 3.39Å; K77-K82 WeakPolarHBondContact CE-O 3.47Å; K77-F84 HydrophobicContact CB-CD1 4.18Å; K77-F84 HydrophobicContact CB-CE1 4.31Å; K77-F84 HydrophobicContact CD-CD1 4.4Å; K77-F84 HydrophobicContact CD-CE1 3.81Å; K77-F84 HydrophobicContact CD-CZ 3.93Å; K77-F84 HydrophobicContact CG-CD1 4.22Å; K77-F84 HydrophobicContact CG-CE1 4.13Å; K77-F84 HydrophobicContact CG-CZ 4.46Å
78	D	95.4	Very high	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.3	174.1	160.1	42.4	0	0	0	110.8	R52 L59 K80 S81 K82 A83 F85	R52-D78 IonicContact CZ-OD1 2.69Å; R52-D78 IonicContact CZ-OD2 2.64Å; R52-D78 IonicContact NH1-OD1 3.58Å; R52-D78 IonicContact NH1-OD2 2.67Å; R52-D78 PolarHBondContact NH1-OD2 2.92Å; R52-D78 IonicContact NH2-OD1 2.7Å; R52-D78 PolarHBondContact NH2-OD1 2.82Å; R52-D78 IonicContact NH2-OD2 2.65Å; R52-D78 PolarHBondContact NH2-OD2 3.05Å; L59-D78 HydrophobicContact CD2-CB 4.4Å; D78-K80 PolarHBondContact O-N 2.85Å; D78-K80 PolarHBondContact OD1-N 3.05Å; D78-S81 WeakPolarHBondContact OD2-CA 3.34Å; D78-S81 WeakPolarHBondContact OD2-CB 3.05Å; D78-S81 PolarHBondContact OD2-N 2.83Å; D78-S81 PolarHBondContact OD2-OG 3.37Å; D78-K82 WeakPolarHBondContact O-CA 3.27Å; D78-K82 PolarHBondContact O-N 2.91Å; D78-A83 PolarHBondContact N-O 2.92Å; D78-F85 HydrophobicContact CB-CD2 4.31Å; D78-F85 HydrophobicContact CB-CE2 3.88Å
79	K	95	Very high	91.9	Very high	91 Å²	91	38 Å²	38	40%	0.396	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.9	-178.5	-70.3	167.2	-173	161.1	0	113.4	D57 E58 E60 K77 K82	D57-K79 WeakPolarHBondContact O-CD 3.41Å; D57-K79 PolarHBondContact O-NZ 3.24Å; E58-K79 WeakPolarHBondContact O-CB 3.33Å; E58-K79 WeakPolarHBondContact O-CG 3.47Å; E58-K79 PolarHBondContact O-N 2.84Å; E60-K79 HydrophobicContact CB-CG 4.3Å; K77-K79 PolarHBondContact O-N 3.39Å; K79-K82 WeakPolarHBondContact O-CE 3.43Å; K79-K82 PolarHBondContact O-NZ 2.59Å
80	K	91.4	Very high	92.8	Very high	133 Å²	133	35.1 Å²	35.1	58%	0.578	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-62.5	179.6	-67.5	179.6	-179.4	154.5	0	113.4	E58 D78	E58-K80 VanDerWaalsContact OE1-CE 3.29Å; E58-K80 WeakPolarHBondContact OE1-CE 3.29Å; E58-K80 IonicContact OE1-NZ 3.75Å; E58-K80 PolarHBondContact OE1-NZ 2.89Å; E58-K80 WeakPolarHBondContact OE2-CD 3.37Å; E58-K80 WeakPolarHBondContact OE2-CE 3.42Å; E58-K80 IonicContact OE2-NZ 2.74Å; E58-K80 PolarHBondContact OE2-NZ 2.69Å; D78-K80 PolarHBondContact O-N 2.85Å; D78-K80 PolarHBondContact OD1-N 3.05Å
81	S	92.4	Very high	93.5	Very high	67 Å²	67	34.6 Å²	34.6	47%	0.469	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-17	-177.2	70	0	0	0	0	114.1	D78 A83	D78-S81 WeakPolarHBondContact OD2-CA 3.34Å; D78-S81 WeakPolarHBondContact OD2-CB 3.05Å; D78-S81 PolarHBondContact OD2-N 2.83Å; D78-S81 PolarHBondContact OD2-OG 3.37Å; S81-A83 PolarHBondContact O-N 3.01Å; S81-A83 WeakPolarHBondContact OG-CB 3.45Å; S81-A83 PolarHBondContact OG-N 3.14Å
82	K	94.1	Very high	94	Very high	118 Å²	118	34.3 Å²	34.3	51%	0.513	17%	0.169	S	C	.	.			trans	66.1	3.8	-171.5	-48.1	-52.7	-172.6	-174.4	0	115.3	K77 D78 K79	K77-K82 WeakPolarHBondContact CE-O 3.47Å; D78-K82 WeakPolarHBondContact O-CA 3.27Å; D78-K82 PolarHBondContact O-N 2.91Å; K79-K82 WeakPolarHBondContact O-CE 3.43Å; K79-K82 PolarHBondContact O-NZ 2.59Å
83	A	93.6	Very high	94.2	Very high	32 Å²	32	36 Å²	36	26%	0.264	18%	0.183	S	C	.	.			trans	-67.8	158	172.7	0	0	0	0	0	112.2	D78 S81 F85	D78-A83 PolarHBondContact N-O 2.92Å; S81-A83 PolarHBondContact O-N 3.01Å; S81-A83 WeakPolarHBondContact OG-CB 3.45Å; S81-A83 PolarHBondContact OG-N 3.14Å; A83-F85 HydrophobicContact CB-CE2 3.93Å; A83-F85 HydrophobicContact CB-CZ 4.22Å
84	F	94.9	Very high	94.3	Very high	34 Å²	34	35.3 Å²	35.3	15%	0.149	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142	-176.6	-62	-96.9	0	0	0	111.3	M62 L75 V76 K77 Y138 E337 G338	M62-F84 HydrophobicContact CE-CE1 4.2Å; M62-F84 HydrophobicContact SD-CD1 4.09Å; M62-F84 HydrophobicContact SD-CE1 3.59Å; M62-F84 VanDerWaalsContact SD-CE1 3.59Å; L75-F84 HydrophobicContact CD1-CB 3.99Å; L75-F84 HydrophobicContact CD1-CD1 4Å; L75-F84 HydrophobicContact CD1-CG 4.47Å; L75-F84 HydrophobicContact CG-CD1 4.45Å; V76-F84 WeakPolarHBondContact O-CA 3.39Å; K77-F84 HydrophobicContact CB-CD1 4.18Å; K77-F84 HydrophobicContact CB-CE1 4.31Å; K77-F84 HydrophobicContact CD-CD1 4.4Å; K77-F84 HydrophobicContact CD-CE1 3.81Å; K77-F84 HydrophobicContact CD-CZ 3.93Å; K77-F84 HydrophobicContact CG-CD1 4.22Å; K77-F84 HydrophobicContact CG-CE1 4.13Å; K77-F84 HydrophobicContact CG-CZ 4.46Å; F84-Y138 HydrophobicContact CB-CD1 4.28Å; F84-E337 HydrophobicContact CD2-CB 3.55Å; F84-E337 HydrophobicContact CE2-CB 3.78Å; F84-E337 HydrophobicContact CG-CB 4.49Å; F84-G338 VanDerWaalsContact CD1-CA 3.49Å
85	F	96.3	Very high	94.3	Very high	15 Å²	15	34 Å²	34	7%	0.066	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.7	-175.8	-61.7	-87.5	0	0	0	111.1	Y54 V76 D78 A83 F123 L135 M136	Y54-F85 HydrophobicContact CE1-CE2 4.25Å; Y54-F85 HydrophobicContact CE1-CZ 4.12Å; V76-F85 HydrophobicContact CG2-CB 3.92Å; V76-F85 PolarHBondContact N-O 2.92Å; V76-F85 PolarHBondContact O-N 2.99Å; D78-F85 HydrophobicContact CB-CD2 4.31Å; D78-F85 HydrophobicContact CB-CE2 3.88Å; A83-F85 HydrophobicContact CB-CE2 3.93Å; A83-F85 HydrophobicContact CB-CZ 4.22Å; F85-F123 AromaticContact CD1-CD2 3.9Å; F85-F123 HydrophobicContact CD1-CD2 3.9Å; F85-F123 AromaticContact CD1-CE2 3.99Å; F85-F123 HydrophobicContact CD1-CE2 3.99Å; F85-F123 HydrophobicContact CD1-CG 4.49Å; F85-F123 HydrophobicContact CE1-CD1 4.37Å; F85-F123 AromaticContact CE1-CD2 3.88Å; F85-F123 HydrophobicContact CE1-CD2 3.88Å; F85-F123 HydrophobicContact CE1-CE1 4.35Å; F85-F123 AromaticContact CE1-CE2 3.86Å; F85-F123 HydrophobicContact CE1-CE2 3.86Å; F85-F123 HydrophobicContact CE1-CG 4.13Å; F85-F123 HydrophobicContact CE1-CZ 4.1Å; F85-L135 HydrophobicContact CB-CD1 3.48Å; F85-L135 VanDerWaalsContact CB-CD1 3.48Å; F85-L135 HydrophobicContact CB-CG 4.07Å; F85-L135 HydrophobicContact CD1-CG 4.32Å; F85-L135 HydrophobicContact CG-CD1 4.04Å; F85-L135 HydrophobicContact CG-CD2 4.48Å; F85-L135 HydrophobicContact CG-CG 4.22Å; F85-M136 WeakPolarHBondContact CA-O 3.47Å; F85-M136 WeakPolarHBondContact CB-O 3.26Å
86	A	95.8	Very high	94.2	Very high	9 Å²	9	35.7 Å²	35.7	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.9	170	0	0	0	0	0	109.9	V73 F74 M136 D137	V73-A86 HydrophobicContact CG1-CB 3.88Å; F74-A86 WeakPolarHBondContact O-CA 3.25Å; A86-M136 PolarHBondContact N-O 3.16Å; A86-M136 PolarHBondContact O-N 3.06Å; A86-D137 WeakPolarHBondContact CB-O 3.13Å
87	L	95.9	Very high	94	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	102.5	175.4	-174.6	67.1	0	0	0	109.9	L56 L59 V73 F74 V76 Q89 Y133 M134 L135	L56-L87 HydrophobicContact CD2-CD2 4.4Å; L59-L87 HydrophobicContact CD1-CD1 4.38Å; L59-L87 HydrophobicContact CD1-CD2 4.35Å; V73-L87 WeakPolarHBondContact CA-O 3.29Å; F74-L87 HydrophobicContact CB-CB 4.49Å; F74-L87 PolarHBondContact N-O 2.79Å; F74-L87 PolarHBondContact O-N 2.93Å; V76-L87 HydrophobicContact CB-CB 4.5Å; V76-L87 HydrophobicContact CG1-CB 3.65Å; V76-L87 HydrophobicContact CG1-CD2 3.92Å; V76-L87 HydrophobicContact CG1-CG 4.45Å; V76-L87 HydrophobicContact CG2-CB 3.96Å; L87-Q89 PolarHBondContact O-N 3.36Å; L87-Y133 HydrophobicContact CD1-CD1 4.11Å; L87-Y133 HydrophobicContact CD2-CD1 4.07Å; L87-Y133 HydrophobicContact CD2-CE1 4.49Å; L87-Y133 HydrophobicContact CG-CD1 4.19Å; L87-M134 WeakPolarHBondContact CA-O 3.24Å; L87-L135 HydrophobicContact CB-CD1 4.39Å; L87-L135 HydrophobicContact CD1-CB 4.28Å; L87-L135 HydrophobicContact CD1-CD1 4.12Å
88	K	94.2	Very high	93.5	Very high	31 Å²	31	42.9 Å²	42.9	14%	0.135	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	106	171.7	-174.3	-176.4	-164.8	-178.4	0	108.1	V73 M90 E107 Y133 M134 M136 D200	V73-K88 HydrophobicContact CG2-CB 4.34Å; V73-K88 HydrophobicContact CG2-CG 4.33Å; K88-M90 HydrophobicContact CD-CE 4.28Å; K88-M90 HydrophobicContact CD-SD 4.12Å; K88-M90 HydrophobicContact CG-CE 4.41Å; K88-M90 HydrophobicContact CG-CG 4.2Å; K88-M90 HydrophobicContact CG-SD 4.23Å; K88-E107 IonicContact NZ-OE1 3.33Å; K88-E107 PolarHBondContact NZ-OE1 3.03Å; K88-E107 IonicContact NZ-OE2 3.62Å; K88-E107 PolarHBondContact NZ-OE2 2.65Å; K88-Y133 WeakPolarHBondContact O-CA 3.38Å; K88-M134 HydrophobicContact CB-CB 4.27Å; K88-M134 HydrophobicContact CD-SD 4.23Å; K88-M134 PolarHBondContact N-O 3.31Å; K88-M134 PolarHBondContact O-N 3.36Å; K88-M136 HydrophobicContact CB-CE 3.67Å; K88-M136 HydrophobicContact CD-CE 4.26Å; K88-D200 IonicContact NZ-OD1 3.65Å
89	Q	93.6	Very high	93.2	Very high	21 Å²	21	50 Å²	50	10%	0.098	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.2	173.7	-174.6	-172.5	51.1	0	0	109.1	G71 R72 F74 L87 F131 L132 Y133	G71-Q89 CarbonylContact C-O 3.53Å; G71-Q89 WeakPolarHBondContact CA-O 3.22Å; R72-Q89 PolarHBondContact N-O 3.27Å; R72-Q89 PolarHBondContact O-N 2.72Å; F74-Q89 HydrophobicContact CD2-CB 4.25Å; F74-Q89 HydrophobicContact CE2-CB 3.98Å; L87-Q89 PolarHBondContact O-N 3.36Å; Q89-F131 HydrophobicContact CG-CB 3.86Å; Q89-F131 HydrophobicContact CG-CD1 3.53Å; Q89-F131 HydrophobicContact CG-CE1 4.19Å; Q89-F131 HydrophobicContact CG-CG 3.78Å; Q89-L132 CarbonylContact C-O 3.57Å; Q89-L132 WeakPolarHBondContact CA-O 3.36Å; Q89-Y133 HydrophobicContact CB-CD1 4.22Å; Q89-Y133 HydrophobicContact CB-CE1 4.18Å; Q89-Y133 HydrophobicContact CG-CD1 4.07Å; Q89-Y133 HydrophobicContact CG-CE1 3.63Å; Q89-Y133 PolarHBondContact NE2-OH 2.7Å
90	M	93.9	Very high	92.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135	-178.4	-62.2	174.4	-72.9	0	0	110.9	F70 K88 I92 V95 V104 F131 L132 M134 F368	F70-M90 HydrophobicContact CB-CB 4.32Å; F70-M90 CarbonylContact O-C 3.51Å; F70-M90 WeakPolarHBondContact O-CA 3.37Å; K88-M90 HydrophobicContact CD-CE 4.28Å; K88-M90 HydrophobicContact CD-SD 4.12Å; K88-M90 HydrophobicContact CG-CE 4.41Å; K88-M90 HydrophobicContact CG-CG 4.2Å; K88-M90 HydrophobicContact CG-SD 4.23Å; M90-I92 PolarHBondContact O-N 3.24Å; M90-V95 HydrophobicContact CB-CG2 4.32Å; M90-V104 HydrophobicContact CE-CG1 3.85Å; M90-V104 HydrophobicContact SD-CG2 4.28Å; M90-F131 CarbonylContact O-C 3.57Å; M90-F131 VanDerWaalsContact O-CA 3.24Å; M90-F131 WeakPolarHBondContact O-CA 3.11Å; M90-L132 HydrophobicContact CB-CB 4.41Å; M90-L132 HydrophobicContact CE-CB 4.29Å; M90-L132 PolarHBondContact N-O 2.92Å; M90-L132 PolarHBondContact O-N 3.37Å; M90-M134 HydrophobicContact CE-CE 4.09Å; M90-M134 HydrophobicContact CE-CG 4.37Å; M90-M134 HydrophobicContact CE-SD 4.19Å; M90-F368 HydrophobicContact CE-CZ 4.43Å
91	K	93.2	Very high	92.9	Very high	23 Å²	23	43 Å²	43	10%	0.1	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.5	178.9	-64.5	-175.6	-167.6	-170	0	110.7	F70 S93 D94 V95 F131 W351 D354	F70-K91 PolarHBondContact O-N 3.26Å; K91-S93 PolarHBondContact O-N 2.84Å; K91-D94 HydrophobicContact CB-CB 4.06Å; K91-D94 PolarHBondContact O-N 2.88Å; K91-D94 VanDerWaalsContact O-N 3.16Å; K91-V95 WeakPolarHBondContact O-CG2 3.48Å; K91-V95 PolarHBondContact O-N 2.91Å; K91-F131 HydrophobicContact CG-CD1 4.06Å; K91-F131 HydrophobicContact CG-CE1 3.7Å; K91-W351 HydrophobicContact CD-CE3 4.29Å; K91-W351 HydrophobicContact CD-CZ3 4.27Å; K91-W351 VanDerWaalsContact CE-CE2 3.49Å; K91-W351 VanDerWaalsContact CE-CZ3 3.47Å; K91-W351 HydrophobicContact CG-CE3 4.13Å; K91-W351 HydrophobicContact CG-CZ3 4.01Å; K91-D354 WeakPolarHBondContact CD-OD2 3.28Å; K91-D354 WeakPolarHBondContact CE-OD2 3.48Å; K91-D354 IonicContact NZ-OD2 3.33Å; K91-D354 PolarHBondContact NZ-OD2 2.85Å
92	I	95.4	Very high	92.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-40	177.4	-64.6	170.6	0	0	0	110.4	M90 D94 V95 I96 R130 L132 V357 L362 F365	M90-I92 PolarHBondContact O-N 3.24Å; I92-D94 PolarHBondContact O-N 2.81Å; I92-V95 PolarHBondContact O-N 2.94Å; I92-I96 HydrophobicContact CG2-CD1 3.68Å; I92-I96 HydrophobicContact CG2-CG1 4.41Å; I92-I96 WeakPolarHBondContact O-CG1 3.32Å; I92-I96 PolarHBondContact O-N 2.87Å; I92-R130 WeakPolarHBondContact CB-O 3.44Å; I92-R130 WeakPolarHBondContact CG1-O 3.38Å; I92-R130 PolarHBondContact N-O 3.28Å; I92-L132 HydrophobicContact CD1-CD2 3.89Å; I92-L132 HydrophobicContact CD1-CG 4.42Å; I92-L132 HydrophobicContact CG1-CD1 4.45Å; I92-L132 HydrophobicContact CG1-CD2 3.66Å; I92-L132 HydrophobicContact CG1-CG 3.69Å; I92-V357 HydrophobicContact CB-CG1 4.25Å; I92-V357 HydrophobicContact CB-CG2 4.1Å; I92-V357 HydrophobicContact CD1-CG2 4.24Å; I92-V357 HydrophobicContact CG2-CB 4.5Å; I92-V357 HydrophobicContact CG2-CG1 4.26Å; I92-V357 HydrophobicContact CG2-CG2 3.82Å; I92-L362 HydrophobicContact CD1-CD2 3.7Å; I92-F365 HydrophobicContact CG2-CD2 3.82Å; I92-F365 HydrophobicContact CG2-CE2 3.82Å
93	S	93.6	Very high	92.4	Very high	49 Å²	49	41.3 Å²	41.3	34%	0.343	20%	0.197	S	C	.	.	H	α-helix	trans	-59.7	-42.5	176.6	50.1	0	0	0	0	113.6	K91 R97	K91-S93 PolarHBondContact O-N 2.84Å; S93-R97 VanDerWaalsContact O-CB 3.22Å; S93-R97 WeakPolarHBondContact O-CB 3.49Å; S93-R97 PolarHBondContact O-N 3.03Å
94	D	91.9	Very high	92.3	Very high	24 Å²	24	39.9 Å²	39.9	13%	0.128	19%	0.186	C	C	.	.	H	α-helix	trans	-75.6	-38.3	179.2	-73.1	-14.6	0	0	0	111.9	F70 K91 I92 I96 R97 L98	F70-D94 HydrophobicContact CB-CB 4.46Å; K91-D94 HydrophobicContact CB-CB 4.06Å; K91-D94 PolarHBondContact O-N 2.88Å; K91-D94 VanDerWaalsContact O-N 3.16Å; I92-D94 PolarHBondContact O-N 2.81Å; D94-I96 VanDerWaalsContact C-N 3.35Å; D94-I96 PolarHBondContact O-N 2.9Å; D94-R97 VanDerWaalsContact CG-NH2 3.3Å; D94-R97 PolarHBondContact O-N 2.89Å; D94-R97 IonicContact OD1-CZ 2.72Å; D94-R97 IonicContact OD1-NH1 2.65Å; D94-R97 PolarHBondContact OD1-NH1 2.75Å; D94-R97 IonicContact OD1-NH2 2.76Å; D94-R97 PolarHBondContact OD1-NH2 3.42Å; D94-R97 IonicContact OD2-NH2 3.2Å; D94-L98 WeakPolarHBondContact O-CB 3.26Å; D94-L98 WeakPolarHBondContact O-CG 3.49Å; D94-L98 PolarHBondContact O-N 3.35Å
95	V	91.6	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-44.3	175.4	173.9	0	0	0	0	110.8	F70 M90 K91 I92 K99 Q100 E101 V104 F365	F70-V95 HydrophobicContact CB-CG2 3.74Å; F70-V95 HydrophobicContact CD1-CG2 4.48Å; F70-V95 HydrophobicContact CD2-CG2 4.31Å; F70-V95 HydrophobicContact CG-CG2 3.91Å; M90-V95 HydrophobicContact CB-CG2 4.32Å; K91-V95 WeakPolarHBondContact O-CG2 3.48Å; K91-V95 PolarHBondContact O-N 2.91Å; I92-V95 PolarHBondContact O-N 2.94Å; V95-K99 PolarHBondContact O-N 2.95Å; V95-K99 VanDerWaalsContact O-N 3.12Å; V95-Q100 HydrophobicContact CG1-CB 4.3Å; V95-Q100 PolarHBondContact O-N 2.88Å; V95-E101 HydrophobicContact CG1-CG 4.3Å; V95-V104 HydrophobicContact CG1-CB 4.42Å; V95-V104 HydrophobicContact CG1-CG2 3.86Å; V95-V104 HydrophobicContact CG2-CG2 4.15Å; V95-F365 HydrophobicContact CG1-CE1 4.46Å; V95-F365 HydrophobicContact CG1-CZ 3.84Å
96	I	92.8	Very high	92	Very high	38 Å²	38	40.2 Å²	40.2	20%	0.195	19%	0.188	C	C	.	.	H	α-helix	trans	-70.8	-46	176.2	-65.4	169.1	0	0	0	111.3	I92 D94 L98 K99 E101 D361 I364 F365	I92-I96 HydrophobicContact CG2-CD1 3.68Å; I92-I96 HydrophobicContact CG2-CG1 4.41Å; I92-I96 WeakPolarHBondContact O-CG1 3.32Å; I92-I96 PolarHBondContact O-N 2.87Å; D94-I96 VanDerWaalsContact C-N 3.35Å; D94-I96 PolarHBondContact O-N 2.9Å; I96-L98 PolarHBondContact O-N 2.96Å; I96-L98 VanDerWaalsContact O-N 3.15Å; I96-K99 PolarHBondContact O-N 3.43Å; I96-E101 HydrophobicContact CG1-CG 3.92Å; I96-D361 HydrophobicContact CD1-CB 3.62Å; I96-I364 HydrophobicContact CD1-CD1 3.93Å; I96-I364 HydrophobicContact CG1-CD1 4.31Å; I96-F365 HydrophobicContact CD1-CE2 4.1Å; I96-F365 HydrophobicContact CG1-CE2 4Å
97	R	91.6	Very high	91.8	Very high	164 Å²	164	40 Å²	40	62%	0.619	19%	0.186	S	C	*	.	H	α-helix	trans	-55.8	-35.8	179	-175.8	-178	70.5	-131.6	-9.4	112	S93 D94	S93-R97 VanDerWaalsContact O-CB 3.22Å; S93-R97 WeakPolarHBondContact O-CB 3.49Å; S93-R97 PolarHBondContact O-N 3.03Å; D94-R97 VanDerWaalsContact CG-NH2 3.3Å; D94-R97 PolarHBondContact O-N 2.89Å; D94-R97 IonicContact OD1-CZ 2.72Å; D94-R97 IonicContact OD1-NH1 2.65Å; D94-R97 PolarHBondContact OD1-NH1 2.75Å; D94-R97 IonicContact OD1-NH2 2.76Å; D94-R97 PolarHBondContact OD1-NH2 3.42Å; D94-R97 IonicContact OD2-NH2 3.2Å
98	L	87.4	Confident	91.8	Very high	41 Å²	41	41.7 Å²	41.7	22%	0.215	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.4	-179.5	-63.3	173.5	0	0	0	113.6	T69 F70 D94 I96 Q100	T69-L98 HydrophobicContact CG2-CD1 4.26Å; F70-L98 HydrophobicContact CD1-CD1 3.84Å; F70-L98 HydrophobicContact CE1-CB 4.21Å; F70-L98 HydrophobicContact CE1-CD1 3.75Å; D94-L98 WeakPolarHBondContact O-CB 3.26Å; D94-L98 WeakPolarHBondContact O-CG 3.49Å; D94-L98 PolarHBondContact O-N 3.35Å; I96-L98 PolarHBondContact O-N 2.96Å; I96-L98 VanDerWaalsContact O-N 3.15Å; L98-Q100 HydrophobicContact CB-CG 4.01Å; L98-Q100 WeakPolarHBondContact O-CG 2.99Å; L98-Q100 PolarHBondContact O-NE2 3.18Å
99	K	89.3	Confident	91.8	Very high	151 Å²	151	45.8 Å²	45.8	66%	0.657	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	45.5	178	-52.7	171.9	-170.1	160.2	0	113.8	V95 I96 E101	V95-K99 PolarHBondContact O-N 2.95Å; V95-K99 VanDerWaalsContact O-N 3.12Å; I96-K99 PolarHBondContact O-N 3.43Å; K99-E101 WeakPolarHBondContact CA-OE2 3.48Å
100	Q	88.4	Confident	91.9	Very high	32 Å²	32	45 Å²	45	15%	0.15	21%	0.209	C	C	.	.			trans	-110.1	10.4	-175.6	-56.2	-58.5	-51.8	0	0	113.2	F70 V95 L98 Q102 H103 V104	F70-Q100 HydrophobicContact CE1-CB 4.16Å; F70-Q100 HydrophobicContact CE1-CG 3.66Å; F70-Q100 HydrophobicContact CE2-CB 4.41Å; F70-Q100 HydrophobicContact CZ-CB 3.92Å; F70-Q100 HydrophobicContact CZ-CG 3.58Å; V95-Q100 HydrophobicContact CG1-CB 4.3Å; V95-Q100 PolarHBondContact O-N 2.88Å; L98-Q100 HydrophobicContact CB-CG 4.01Å; L98-Q100 WeakPolarHBondContact O-CG 2.99Å; L98-Q100 PolarHBondContact O-NE2 3.18Å; Q100-Q102 VanDerWaalsContact C-N 3.3Å; Q100-Q102 PolarHBondContact O-N 2.81Å; Q100-H103 PolarHBondContact O-N 3.1Å; Q100-H103 PolarHBondContact OE1-ND1 2.77Å; Q100-V104 PolarHBondContact O-N 2.94Å
101	E	92.1	Very high	92	Very high	43 Å²	43	45.1 Å²	45.1	20%	0.201	21%	0.21	C	C	.	.	H	α-helix	trans	-55.4	-45.2	-177	-46.5	90.8	149.4	0	0	111.2	V95 I96 K99 H103 V104 H105 I364 F365	V95-E101 HydrophobicContact CG1-CG 4.3Å; I96-E101 HydrophobicContact CG1-CG 3.92Å; K99-E101 WeakPolarHBondContact CA-OE2 3.48Å; E101-H103 VanDerWaalsContact C-N 3.35Å; E101-H103 PolarHBondContact O-N 3.33Å; E101-V104 PolarHBondContact O-N 3.03Å; E101-H105 PolarHBondContact O-CD2 2.88Å; E101-H105 VanDerWaalsContact O-CD2 3.3Å; E101-H105 PolarHBondContact O-N 2.82Å; E101-I364 HydrophobicContact CB-CG2 4.07Å; E101-I364 HydrophobicContact CG-CG2 4.15Å; E101-F365 HydrophobicContact CB-CE1 4.24Å; E101-F365 HydrophobicContact CB-CZ 3.71Å; E101-F365 HydrophobicContact CG-CE2 4.29Å; E101-F365 HydrophobicContact CG-CZ 3.76Å
102	Q	88.5	Confident	92.1	Very high	118 Å²	118	48.4 Å²	48.4	55%	0.551	23%	0.232	S	C	*	.	H	α-helix	trans	-67.2	-32.7	177.3	-171.8	64.5	67.3	0	0	112.5	Q100 N106	Q100-Q102 VanDerWaalsContact C-N 3.3Å; Q100-Q102 PolarHBondContact O-N 2.81Å; Q102-N106 PolarHBondContact NE2-OD1 2.8Å; Q102-N106 WeakPolarHBondContact O-CB 3.18Å; Q102-N106 PolarHBondContact O-N 3.12Å; Q102-N106 PolarHBondContact O-ND2 3.32Å; Q102-N106 PolarHBondContact O-OD1 3.13Å; Q102-N106 VanDerWaalsContact O-OD1 3.06Å
103	H	86.3	Confident	92.1	Very high	32 Å²	32	52.1 Å²	52.1	15%	0.148	25%	0.249	C	C	.	.	H	α-helix	trans	-73.3	-37.9	177.2	-67.4	142.3	0	0	0	111.6	Q100 E101 N106 E107	Q100-H103 PolarHBondContact O-N 3.1Å; Q100-H103 PolarHBondContact OE1-ND1 2.77Å; E101-H103 VanDerWaalsContact C-N 3.35Å; E101-H103 PolarHBondContact O-N 3.33Å; H103-N106 PolarHBondContact O-N 2.72Å; H103-E107 WeakPolarHBondContact O-CB 3.3Å; H103-E107 PolarHBondContact O-N 2.76Å
104	V	91.8	Very high	92.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-38.8	174.8	174.2	0	0	0	0	111.9	M90 V95 Q100 E101 K108 L132 M134 F368	M90-V104 HydrophobicContact CE-CG1 3.85Å; M90-V104 HydrophobicContact SD-CG2 4.28Å; V95-V104 HydrophobicContact CG1-CB 4.42Å; V95-V104 HydrophobicContact CG1-CG2 3.86Å; V95-V104 HydrophobicContact CG2-CG2 4.15Å; Q100-V104 PolarHBondContact O-N 2.94Å; E101-V104 PolarHBondContact O-N 3.03Å; V104-K108 PolarHBondContact O-N 3.14Å; V104-K108 VanDerWaalsContact O-N 3.12Å; V104-L132 HydrophobicContact CG1-CD1 3.67Å; V104-M134 HydrophobicContact CG1-CE 4.38Å; V104-F368 HydrophobicContact CG1-CD2 4.33Å; V104-F368 HydrophobicContact CG1-CE2 3.58Å; V104-F368 HydrophobicContact CG1-CZ 4.21Å
105	H	93.2	Very high	92.5	Very high	37 Å²	37	53.5 Å²	53.5	17%	0.171	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-44.7	171.3	-77.7	-56	0	0	0	112.4	E101 E107 K108 E109 I364 F365	E101-H105 PolarHBondContact O-CD2 2.88Å; E101-H105 VanDerWaalsContact O-CD2 3.3Å; E101-H105 PolarHBondContact O-N 2.82Å; H105-E107 VanDerWaalsContact C-N 3.3Å; H105-E107 PolarHBondContact O-N 3.05Å; H105-K108 WeakPolarHBondContact O-CB 3.38Å; H105-K108 PolarHBondContact O-N 3.34Å; H105-E109 WeakPolarHBondContact O-CG 3.36Å; H105-E109 PolarHBondContact O-N 2.82Å; H105-I364 PolarHBondContact NE2-O 3.43Å; H105-F365 AromaticContact CE1-CD1 3.71Å; H105-F365 AromaticContact NE2-CD1 3.49Å; H105-F365 WeakPolarHBondContact NE2-CD1 3.43Å; H105-F365 AromaticContact NE2-CE1 3.73Å
106	N	90.7	Very high	92.8	Very high	18 Å²	18	54.8 Å²	54.8	10%	0.096	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-40.4	174.8	-65.5	-13.6	0	0	0	112	Q102 H103 E109 V110	Q102-N106 PolarHBondContact NE2-OD1 2.8Å; Q102-N106 WeakPolarHBondContact O-CB 3.18Å; Q102-N106 PolarHBondContact O-N 3.12Å; Q102-N106 PolarHBondContact O-ND2 3.32Å; Q102-N106 PolarHBondContact O-OD1 3.13Å; Q102-N106 VanDerWaalsContact O-OD1 3.06Å; H103-N106 PolarHBondContact O-N 2.72Å; N106-E109 PolarHBondContact O-N 2.7Å; N106-V110 WeakPolarHBondContact O-CB 3.42Å; N106-V110 WeakPolarHBondContact O-CG2 3.22Å; N106-V110 PolarHBondContact O-N 3.47Å
107	E	93.5	Very high	93.1	Very high	6 Å²	6	55 Å²	55	3%	0.028	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-47.8	177.1	179.8	173.3	-149.5	0	0	110.4	K88 H103 H105 E109 V110 L111 M134 F201 G202	K88-E107 IonicContact NZ-OE1 3.33Å; K88-E107 PolarHBondContact NZ-OE1 3.03Å; K88-E107 IonicContact NZ-OE2 3.62Å; K88-E107 PolarHBondContact NZ-OE2 2.65Å; H103-E107 WeakPolarHBondContact O-CB 3.3Å; H103-E107 PolarHBondContact O-N 2.76Å; H105-E107 VanDerWaalsContact C-N 3.3Å; H105-E107 PolarHBondContact O-N 3.05Å; E107-E109 PolarHBondContact O-N 3.43Å; E107-V110 PolarHBondContact O-N 3.14Å; E107-L111 HydrophobicContact CG-CD1 3.74Å; E107-L111 HydrophobicContact CG-CG 4.24Å; E107-L111 VanDerWaalsContact O-CB 3.24Å; E107-L111 WeakPolarHBondContact O-CB 3.24Å; E107-L111 VanDerWaalsContact O-CG 3.23Å; E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 2.68Å; E107-M134 HydrophobicContact CB-CE 4.24Å; E107-M134 HydrophobicContact CG-CE 4.04Å; E107-M134 HydrophobicContact CG-SD 4.29Å; E107-F201 HydrophobicContact CG-CB 3.92Å; E107-F201 PolarHBondContact OE1-N 2.96Å; E107-F201 VanDerWaalsContact OE1-N 3.16Å; E107-G202 PolarHBondContact OE1-N 3.21Å
108	K	94.7	Very high	93.4	Very high	43 Å²	43	47.2 Å²	47.2	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-55.8	-51.8	173.7	175.1	179.9	170.7	179.2	0	111.7	V104 H105 L111 T112 T125 M134 N367 F368	V104-K108 PolarHBondContact O-N 3.14Å; V104-K108 VanDerWaalsContact O-N 3.12Å; H105-K108 WeakPolarHBondContact O-CB 3.38Å; H105-K108 PolarHBondContact O-N 3.34Å; K108-L111 PolarHBondContact O-N 2.85Å; K108-T112 WeakPolarHBondContact O-CB 3.34Å; K108-T112 PolarHBondContact O-N 3.08Å; K108-T112 PolarHBondContact O-OG1 3.44Å; K108-T125 HydrophobicContact CD-CG2 4.28Å; K108-T125 WeakPolarHBondContact CE-OG1 3.32Å; K108-T125 HydrophobicContact CG-CG2 4.23Å; K108-T125 PolarHBondContact NZ-OG1 2.85Å; K108-M134 HydrophobicContact CB-CE 3.99Å; K108-N367 PolarHBondContact NZ-O 3.02Å; K108-F368 HydrophobicContact CB-CE2 4.16Å; K108-F368 HydrophobicContact CD-CD2 4.06Å; K108-F368 HydrophobicContact CD-CE2 4.26Å; K108-F368 HydrophobicContact CD-CG 4.49Å; K108-F368 WeakPolarHBondContact CD-OXT 3.06Å; K108-F368 WeakPolarHBondContact CE-OXT 3.31Å; K108-F368 PolarHBondContact NZ-OXT 3.18Å
109	E	95.1	Very high	93.9	Very high	116 Å²	116	45.4 Å²	45.4	54%	0.542	23%	0.23	S	C	.	.	H	α-helix	trans	-59.3	-49.5	-177.6	-73.5	176.7	-179	0	0	111.3	H105 N106 E107 T112 E113	H105-E109 WeakPolarHBondContact O-CG 3.36Å; H105-E109 PolarHBondContact O-N 2.82Å; N106-E109 PolarHBondContact O-N 2.7Å; E107-E109 PolarHBondContact O-N 3.43Å; E109-T112 PolarHBondContact O-N 2.91Å; E109-E113 PolarHBondContact O-N 2.95Å; E109-E113 VanDerWaalsContact O-N 3.15Å
110	V	95.8	Very high	94.2	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.036	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-48.9	177.9	164.6	0	0	0	0	111.4	N106 E107 T112 E113 I114 I178 F201 A204	N106-V110 WeakPolarHBondContact O-CB 3.42Å; N106-V110 WeakPolarHBondContact O-CG2 3.22Å; N106-V110 PolarHBondContact O-N 3.47Å; E107-V110 PolarHBondContact O-N 3.14Å; V110-T112 PolarHBondContact O-N 3.47Å; V110-E113 PolarHBondContact O-N 3.16Å; V110-I114 HydrophobicContact CG1-CD1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.36Å; V110-I114 WeakPolarHBondContact O-CG2 3.47Å; V110-I114 PolarHBondContact O-N 2.85Å; V110-I178 HydrophobicContact CG1-CD1 4.22Å; V110-I178 HydrophobicContact CG1-CG2 3.91Å; V110-I178 HydrophobicContact CG2-CD1 4.48Å; V110-I178 HydrophobicContact CG2-CG2 4.2Å; V110-F201 HydrophobicContact CG1-CB 4.5Å; V110-F201 HydrophobicContact CG1-CD1 3.54Å; V110-F201 HydrophobicContact CG1-CE1 4.2Å; V110-F201 HydrophobicContact CG1-CG 4.39Å; V110-A204 HydrophobicContact CG1-CB 3.93Å; V110-A204 HydrophobicContact CG2-CB 4.49Å
111	L	95.9	Very high	94.6	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-24.3	178.7	-74.3	177.8	0	0	0	113.3	E107 K108 I114 I120 L122 M134 M136 F201	E107-L111 HydrophobicContact CG-CD1 3.74Å; E107-L111 HydrophobicContact CG-CG 4.24Å; E107-L111 VanDerWaalsContact O-CB 3.24Å; E107-L111 WeakPolarHBondContact O-CB 3.24Å; E107-L111 VanDerWaalsContact O-CG 3.23Å; E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 2.68Å; K108-L111 PolarHBondContact O-N 2.85Å; L111-I114 HydrophobicContact CD2-CD1 4.08Å; L111-I120 HydrophobicContact CD2-CG2 3.73Å; L111-L122 HydrophobicContact CB-CB 3.86Å; L111-L122 HydrophobicContact CB-CD2 3.67Å; L111-L122 HydrophobicContact CB-CG 4.37Å; L111-M134 HydrophobicContact CD1-SD 4.12Å; L111-M136 HydrophobicContact CD1-SD 4.22Å; L111-F201 HydrophobicContact CD2-CB 3.98Å; L111-F201 HydrophobicContact CD2-CD1 4.41Å; L111-F201 HydrophobicContact CD2-CD2 3.53Å; L111-F201 HydrophobicContact CD2-CE2 4.1Å; L111-F201 HydrophobicContact CD2-CG 3.71Å; L111-F201 HydrophobicContact CG-CB 4.04Å; L111-F201 HydrophobicContact CG-CG 4.3Å
112	T	95.2	Very high	94.8	Very high	93 Å²	93	41 Å²	41	57%	0.571	21%	0.208	S	C	*	.	H	α-helix	trans	-81.2	-29.6	176.9	-55.7	0	0	0	0	112.4	K108 E109 V110	K108-T112 WeakPolarHBondContact O-CB 3.34Å; K108-T112 PolarHBondContact O-N 3.08Å; K108-T112 PolarHBondContact O-OG1 3.44Å; E109-T112 PolarHBondContact O-N 2.91Å; V110-T112 PolarHBondContact O-N 3.47Å
113	E	95.1	Very high	95.1	Very high	78 Å²	78	38.3 Å²	38.3	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-84.5	-14.7	-179.7	-78.3	-160.9	-152.2	0	0	115.1	E109 V110 K176 K206	E109-E113 PolarHBondContact O-N 2.95Å; E109-E113 VanDerWaalsContact O-N 3.15Å; V110-E113 PolarHBondContact O-N 3.16Å; E113-K176 PolarHBondContact O-NZ 3.1Å; E113-K206 IonicContact OE1-NZ 1.94Å; E113-K206 PolarHBondContact OE1-NZ 3.24Å; E113-K206 IonicContact OE2-NZ 3.96Å; E113-K206 PolarHBondContact OE2-NZ 3.05Å
114	I	96.8	Very high	95.5	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.062	20%	0.195	C	C	.	.			trans	-103.5	143.8	-171.7	66.3	-177.6	0	0	0	113.1	V110 L111 L119 Y172 L173 I178 F201	V110-I114 HydrophobicContact CG1-CD1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.36Å; V110-I114 WeakPolarHBondContact O-CG2 3.47Å; V110-I114 PolarHBondContact O-N 2.85Å; L111-I114 HydrophobicContact CD2-CD1 4.08Å; I114-L119 HydrophobicContact CB-CD1 4.27Å; I114-L119 HydrophobicContact CD1-CD1 4.08Å; I114-Y172 HydrophobicContact CB-CE1 3.99Å; I114-Y172 HydrophobicContact CG2-CE1 4.07Å; I114-L173 HydrophobicContact CG2-CD2 3.74Å; I114-I178 HydrophobicContact CG2-CD1 3.69Å; I114-F201 HydrophobicContact CD1-CD1 4.14Å; I114-F201 HydrophobicContact CD1-CE1 3.6Å; I114-F201 HydrophobicContact CD1-CE2 4.4Å; I114-F201 HydrophobicContact CD1-CZ 3.74Å
115	S	96.8	Very high	95.7	Very high	89 Å²	89	39.9 Å²	39.9	62%	0.622	20%	0.202	S	C	*	.			trans	-156.1	107.8	172	-178.9	0	0	0	0	108.4	Y172	S115-Y172 PolarHBondContact N-OH 2.91Å; S115-Y172 WeakPolarHBondContact O-CE2 3.24Å; S115-Y172 VanDerWaalsContact O-CZ 3.23Å; S115-Y172 PolarHBondContact O-OH 3.49Å
116	H	98.3	Very high	95.8	Very high	27 Å²	27	41.7 Å²	41.7	13%	0.125	21%	0.211	C	C	.	.			trans	-158.6	139.7	-174.4	-176.7	-102.4	0	0	0	109.6	F118 L119 Y172	H116-F118 AromaticContact CE1-CD2 3.73Å; H116-F118 PolarHBondContact O-N 3.02Å; H116-L119 HydrophobicContact CB-CD1 3.79Å; H116-L119 HydrophobicContact CB-CG 3.91Å; H116-L119 PolarHBondContact O-N 3.3Å; H116-L119 VanDerWaalsContact O-N 3.07Å; H116-Y172 HydrophobicContact CB-CD1 3.89Å; H116-Y172 HydrophobicContact CB-CD2 4.01Å; H116-Y172 HydrophobicContact CB-CE1 4.02Å; H116-Y172 HydrophobicContact CB-CE2 4.1Å; H116-Y172 HydrophobicContact CB-CG 3.89Å; H116-Y172 AromaticContact CD2-CD2 3.52Å; H116-Y172 AromaticContact CD2-CG 3.66Å; H116-Y172 AromaticContact CG-CD2 3.98Å; H116-Y172 AromaticContact CG-CG 3.8Å
117	P	98.1	Very high	96.1	Very high	43 Å²	43	43 Å²	43	28%	0.279	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.3	-170	21.9	-35.1	0	0	0	116.4	R197 P322	P117-R197 PolarHBondContact O-NE 3.45Å; P117-P322 WeakPolarHBondContact CG-O 3.42Å
118	F	98.7	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	8.8	-179.8	-60.4	-43.9	0	0	0	114.2	H116 E165 C168 A169 H195 I196 R197 L198 V321 R324	H116-F118 AromaticContact CE1-CD2 3.73Å; H116-F118 PolarHBondContact O-N 3.02Å; F118-E165 HydrophobicContact CD1-CB 4.16Å; F118-E165 HydrophobicContact CD1-CG 4.42Å; F118-E165 HydrophobicContact CD2-CB 3.88Å; F118-E165 HydrophobicContact CD2-CG 4.49Å; F118-E165 WeakPolarHBondContact CD2-O 3.38Å; F118-E165 HydrophobicContact CE1-CB 4.09Å; F118-E165 HydrophobicContact CE1-CG 3.88Å; F118-E165 WeakPolarHBondContact CE1-OE1 3.47Å; F118-E165 HydrophobicContact CE2-CB 3.82Å; F118-E165 HydrophobicContact CE2-CG 3.96Å; F118-E165 HydrophobicContact CG-CB 4.07Å; F118-E165 HydrophobicContact CZ-CB 3.92Å; F118-E165 HydrophobicContact CZ-CG 3.62Å; F118-E165 WeakPolarHBondContact CZ-OE1 3.45Å; F118-C168 HydrophobicContact CD2-CB 4.44Å; F118-A169 HydrophobicContact CB-CB 4.19Å; F118-H195 HydrophobicContact CE1-CB 4.19Å; F118-I196 WeakPolarHBondContact CA-O 3.37Å; F118-I196 HydrophobicContact CB-CD1 4.13Å; F118-I196 HydrophobicContact CB-CG1 3.77Å; F118-I196 HydrophobicContact CD1-CG1 3.89Å; F118-I196 HydrophobicContact CG-CD1 4.46Å; F118-I196 HydrophobicContact CG-CG1 3.99Å; F118-R197 WeakPolarHBondContact O-CA 3.44Å; F118-L198 PolarHBondContact O-N 2.86Å; F118-V321 HydrophobicContact CE2-CG1 3.78Å; F118-V321 HydrophobicContact CZ-CG1 4.29Å; F118-V321 VanDerWaalsContact CZ-O 3.27Å; F118-V321 WeakPolarHBondContact CZ-O 3.21Å; F118-R324 HydrophobicContact CE1-CG 4.06Å; F118-R324 HydrophobicContact CZ-CG 4.3Å
119	L	98.4	Very high	96.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-113.6	152.2	176.5	-52.6	-178.4	0	0	0	109.6	I114 H116 A169 Y172 L173 R197 L198 F201	I114-L119 HydrophobicContact CB-CD1 4.27Å; I114-L119 HydrophobicContact CD1-CD1 4.08Å; H116-L119 HydrophobicContact CB-CD1 3.79Å; H116-L119 HydrophobicContact CB-CG 3.91Å; H116-L119 PolarHBondContact O-N 3.3Å; H116-L119 VanDerWaalsContact O-N 3.07Å; L119-A169 HydrophobicContact CD2-CB 3.8Å; L119-Y172 HydrophobicContact CD1-CD1 3.84Å; L119-Y172 HydrophobicContact CD1-CE1 4.15Å; L119-L173 HydrophobicContact CD1-CD1 4.5Å; L119-L173 HydrophobicContact CD1-CD2 3.84Å; L119-L173 HydrophobicContact CD1-CG 4.07Å; L119-L173 HydrophobicContact CD2-CD1 4.3Å; L119-R197 WeakPolarHBondContact O-CD 3.34Å; L119-R197 PolarHBondContact O-NH1 2.86Å; L119-L198 HydrophobicContact CD2-CB 3.9Å; L119-L198 HydrophobicContact CD2-CD1 3.79Å; L119-L198 HydrophobicContact CD2-CG 3.99Å; L119-F201 HydrophobicContact CB-CZ 4.45Å; L119-F201 HydrophobicContact CD2-CZ 4.23Å
120	I	95.9	Very high	96.1	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64.6	135.2	170.1	-154.5	78.8	0	0	0	109.6	L111 M136 D137 V139 R197 L198 F201	L111-I120 HydrophobicContact CD2-CG2 3.73Å; I120-M136 HydrophobicContact CG1-CB 4.2Å; I120-D137 HydrophobicContact CD1-CB 3.78Å; I120-D137 HydrophobicContact CG1-CB 4.23Å; I120-V139 HydrophobicContact CD1-CG2 3.55Å; I120-R197 HydrophobicContact CD1-CB 4.49Å; I120-L198 WeakPolarHBondContact CB-O 3.24Å; I120-L198 PolarHBondContact N-O 3.29Å; I120-F201 HydrophobicContact CG2-CD2 4.07Å; I120-F201 HydrophobicContact CG2-CE2 3.88Å
121	R	95.8	Very high	96	Very high	106 Å²	106	43.7 Å²	43.7	40%	0.4	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-93.1	136.9	173.4	-177.3	173	179.4	172.6	3.3	111.2	F123 M136 D137	R121-F123 HydrophobicContact CB-CE2 4.22Å; R121-F123 HydrophobicContact CB-CZ 4.38Å; R121-F123 HydrophobicContact CG-CD2 4.47Å; R121-F123 HydrophobicContact CG-CE1 4.38Å; R121-F123 HydrophobicContact CG-CE2 4.18Å; R121-F123 HydrophobicContact CG-CZ 4.13Å; R121-M136 CarbonylContact O-C 3.24Å; R121-M136 WeakPolarHBondContact O-CA 3.35Å; R121-M136 WeakPolarHBondContact O-CB 3.24Å; R121-D137 VanDerWaalsContact CB-OD2 3.24Å; R121-D137 WeakPolarHBondContact CB-OD2 3.34Å; R121-D137 PolarHBondContact N-OD2 2.89Å; R121-D137 PolarHBondContact O-N 2.78Å
122	L	96.3	Very high	96	Very high	22 Å²	22	43.5 Å²	43.5	12%	0.115	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.3	163.1	-179.9	67.5	0	0	0	110	L111 T125 M134 M136	L111-L122 HydrophobicContact CB-CB 3.86Å; L111-L122 HydrophobicContact CB-CD2 3.67Å; L111-L122 HydrophobicContact CB-CG 4.37Å; L122-T125 HydrophobicContact CD1-CG2 3.85Å; L122-T125 HydrophobicContact CD2-CG2 3.84Å; L122-T125 HydrophobicContact CG-CG2 4.25Å; L122-M134 HydrophobicContact CD1-CB 3.82Å; L122-M134 HydrophobicContact CD1-CG 4.37Å; L122-M136 HydrophobicContact CD1-CG 3.99Å
123	F	94.5	Very high	96.1	Very high	62 Å²	62	39.8 Å²	39.8	27%	0.272	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-34.5	178.9	-68.4	-86.3	0	0	0	113.1	Y54 F85 R121 L135 D137	Y54-F123 HydrophobicContact CE2-CB 4.13Å; F85-F123 AromaticContact CD1-CD2 3.9Å; F85-F123 HydrophobicContact CD1-CD2 3.9Å; F85-F123 AromaticContact CD1-CE2 3.99Å; F85-F123 HydrophobicContact CD1-CE2 3.99Å; F85-F123 HydrophobicContact CD1-CG 4.49Å; F85-F123 HydrophobicContact CE1-CD1 4.37Å; F85-F123 AromaticContact CE1-CD2 3.88Å; F85-F123 HydrophobicContact CE1-CD2 3.88Å; F85-F123 HydrophobicContact CE1-CE1 4.35Å; F85-F123 AromaticContact CE1-CE2 3.86Å; F85-F123 HydrophobicContact CE1-CE2 3.86Å; F85-F123 HydrophobicContact CE1-CG 4.13Å; F85-F123 HydrophobicContact CE1-CZ 4.1Å; R121-F123 HydrophobicContact CB-CE2 4.22Å; R121-F123 HydrophobicContact CB-CZ 4.38Å; R121-F123 HydrophobicContact CG-CD2 4.47Å; R121-F123 HydrophobicContact CG-CE1 4.38Å; R121-F123 HydrophobicContact CG-CE2 4.18Å; R121-F123 HydrophobicContact CG-CZ 4.13Å; F123-L135 HydrophobicContact CB-CD2 4.46Å; F123-L135 PolarHBondContact N-O 3.43Å; F123-D137 VanDerWaalsContact CE2-OD1 3.24Å; F123-D137 WeakPolarHBondContact CE2-OD1 3.24Å; F123-D137 WeakPolarHBondContact CZ-OD1 3.48Å
124	W	95.6	Very high	96.1	Very high	41 Å²	41	36.1 Å²	36.1	16%	0.155	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	147.7	-172.1	-179.6	77.5	0	0	0	111	Y54 L56 H126 L135	Y54-W124 HydrophobicContact CD2-CB 3.78Å; Y54-W124 HydrophobicContact CD2-CG 4.13Å; Y54-W124 HydrophobicContact CG-CB 4.36Å; Y54-W124 HydrophobicContact CG-CG 4.44Å; Y54-W124 VanDerWaalsContact O-CE2 3.31Å; Y54-W124 VanDerWaalsContact O-CZ2 3.26Å; Y54-W124 WeakPolarHBondContact O-CZ2 3.11Å; Y54-W124 PolarHBondContact O-NE1 2.94Å; L56-W124 HydrophobicContact CD2-CH2 3.95Å; L56-W124 HydrophobicContact CD2-CZ3 3.86Å; L56-W124 HydrophobicContact CG-CH2 4.1Å; W124-H126 HydrophobicContact CD2-CB 4.44Å; W124-H126 HydrophobicContact CE3-CB 4.28Å; W124-H126 HydrophobicContact CH2-CB 3.33Å; W124-H126 AromaticContact CH2-CD2 3.69Å; W124-H126 AromaticContact CH2-CG 3.68Å; W124-H126 HydrophobicContact CZ2-CB 3.49Å; W124-H126 VanDerWaalsContact CZ2-CB 3.49Å; W124-H126 AromaticContact CZ2-CG 3.77Å; W124-H126 HydrophobicContact CZ3-CB 3.75Å; W124-L135 HydrophobicContact CB-CB 4.09Å; W124-L135 HydrophobicContact CB-CD2 4.23Å; W124-L135 HydrophobicContact CE3-CB 4.18Å; W124-L135 PolarHBondContact O-N 2.72Å
125	T	95.9	Very high	96.1	Very high	27 Å²	27	35.5 Å²	35.5	17%	0.166	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.9	170	59.9	0	0	0	0	110.8	K108 L122 Y133 M134 F368	K108-T125 HydrophobicContact CD-CG2 4.28Å; K108-T125 WeakPolarHBondContact CE-OG1 3.32Å; K108-T125 HydrophobicContact CG-CG2 4.23Å; K108-T125 PolarHBondContact NZ-OG1 2.85Å; L122-T125 HydrophobicContact CD1-CG2 3.85Å; L122-T125 HydrophobicContact CD2-CG2 3.84Å; L122-T125 HydrophobicContact CG-CG2 4.25Å; T125-Y133 VanDerWaalsContact CA-O 3.24Å; T125-Y133 WeakPolarHBondContact CA-O 3.38Å; T125-M134 HydrophobicContact CG2-CG 4.12Å; T125-F368 WeakPolarHBondContact CB-OXT 3.33Å; T125-F368 PolarHBondContact OG1-OXT 3.24Å
126	H	95.4	Very high	96	Very high	75 Å²	75	31.8 Å²	31.8	35%	0.347	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	164.3	179.6	-175.2	49.7	0	0	0	110.3	W124 Y133 F368	W124-H126 HydrophobicContact CD2-CB 4.44Å; W124-H126 HydrophobicContact CE3-CB 4.28Å; W124-H126 HydrophobicContact CH2-CB 3.33Å; W124-H126 AromaticContact CH2-CD2 3.69Å; W124-H126 AromaticContact CH2-CG 3.68Å; W124-H126 HydrophobicContact CZ2-CB 3.49Å; W124-H126 VanDerWaalsContact CZ2-CB 3.49Å; W124-H126 AromaticContact CZ2-CG 3.77Å; W124-H126 HydrophobicContact CZ3-CB 3.75Å; H126-Y133 PolarHBondContact N-O 2.84Å; H126-Y133 VanDerWaalsContact N-O 3.12Å; H126-Y133 PolarHBondContact O-N 3.19Å; H126-F368 WeakPolarHBondContact O-CD1 3.49Å; H126-F368 WeakPolarHBondContact O-CE1 3.34Å
127	H	95.5	Very high	95.8	Very high	47 Å²	47	31.9 Å²	31.9	22%	0.218	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.5	166.5	72.9	85.7	0	0	0	110.5	F131 L132 F365 F368	H127-F131 WeakPolarHBondContact CA-O 3.45Å; H127-F131 WeakPolarHBondContact CB-O 3.45Å; H127-L132 HydrophobicContact CB-CD2 3.66Å; H127-F365 PolarHBondContact CD2-O 3.47Å; H127-F365 PolarHBondContact NE2-O 2.86Å; H127-F368 HydrophobicContact CB-CD1 4.41Å
128	D	94	Very high	95.7	Very high	45 Å²	45	31 Å²	31	24%	0.241	14%	0.14	C	C	.	.			trans	-110.4	-149.3	168.9	63.6	28.2	0	0	0	110.5	R130 F131 Y133	D128-R130 VanDerWaalsContact C-N 3.33Å; D128-R130 WeakPolarHBondContact OD1-CA 3.29Å; D128-R130 PolarHBondContact OD1-N 3.09Å; D128-F131 PolarHBondContact N-O 3.47Å; D128-F131 PolarHBondContact OD1-N 2.8Å; D128-Y133 HydrophobicContact CB-CE2 4.28Å; D128-Y133 VanDerWaalsContact OD2-CE2 3.24Å; D128-Y133 WeakPolarHBondContact OD2-CE2 3.44Å; D128-Y133 VanDerWaalsContact OD2-CZ 3.32Å; D128-Y133 PolarHBondContact OD2-OH 2.69Å
129	D	94.9	Very high	95.6	Very high	63 Å²	63	31.3 Å²	31.3	34%	0.337	14%	0.142	S	C	.	.	S	Bend	trans	-85.6	1	178.4	71.6	-4.7	0	0	0	114.2	P356 V357	D129-P356 HydrophobicContact CB-CB 4.04Å; D129-P356 CarbonylContact O-C 3.45Å; D129-P356 VanDerWaalsContact O-CA 3.3Å; D129-P356 WeakPolarHBondContact O-CA 3.37Å; D129-P356 WeakPolarHBondContact OD2-CG 3.25Å; D129-V357 WeakPolarHBondContact O-CG2 3.49Å; D129-V357 PolarHBondContact O-N 2.83Å
130	R	94.6	Very high	95.3	Very high	69 Å²	69	31.7 Å²	31.7	26%	0.26	14%	0.144	S	C	.	.	S	Bend	trans	-140.2	-33.7	-174.9	-70.7	160.3	-132.9	-141.8	6.3	114.2	I92 D128 K352 D354	I92-R130 WeakPolarHBondContact CB-O 3.44Å; I92-R130 WeakPolarHBondContact CG1-O 3.38Å; I92-R130 PolarHBondContact N-O 3.28Å; D128-R130 VanDerWaalsContact C-N 3.33Å; D128-R130 WeakPolarHBondContact OD1-CA 3.29Å; D128-R130 PolarHBondContact OD1-N 3.09Å; R130-K352 PolarHBondContact NH1-O 2.87Å; R130-D354 WeakPolarHBondContact CD-O 3.22Å; R130-D354 PolarHBondContact NH1-O 2.88Å
131	F	95.1	Very high	95.3	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.5	-163.1	-59.8	-77.2	0	0	0	113.5	Q89 M90 K91 H127 D128 Y133 W351	Q89-F131 HydrophobicContact CG-CB 3.86Å; Q89-F131 HydrophobicContact CG-CD1 3.53Å; Q89-F131 HydrophobicContact CG-CE1 4.19Å; Q89-F131 HydrophobicContact CG-CG 3.78Å; M90-F131 CarbonylContact O-C 3.57Å; M90-F131 VanDerWaalsContact O-CA 3.24Å; M90-F131 WeakPolarHBondContact O-CA 3.11Å; K91-F131 HydrophobicContact CG-CD1 4.06Å; K91-F131 HydrophobicContact CG-CE1 3.7Å; H127-F131 WeakPolarHBondContact CA-O 3.45Å; H127-F131 WeakPolarHBondContact CB-O 3.45Å; D128-F131 PolarHBondContact N-O 3.47Å; D128-F131 PolarHBondContact OD1-N 2.8Å; F131-Y133 HydrophobicContact CB-CD2 4.39Å; F131-Y133 HydrophobicContact CB-CE1 4.38Å; F131-Y133 HydrophobicContact CB-CE2 3.65Å; F131-Y133 WeakPolarHBondContact CD2-OH 3.35Å; F131-W351 HydrophobicContact CE1-CE3 4.18Å; F131-W351 HydrophobicContact CZ-CB 4.25Å
132	L	96.1	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.7	166.5	-52.2	178	0	0	0	108.8	Q89 M90 I92 V104 H127 F365 F368	Q89-L132 CarbonylContact C-O 3.57Å; Q89-L132 WeakPolarHBondContact CA-O 3.36Å; M90-L132 HydrophobicContact CB-CB 4.41Å; M90-L132 HydrophobicContact CE-CB 4.29Å; M90-L132 PolarHBondContact N-O 2.92Å; M90-L132 PolarHBondContact O-N 3.37Å; I92-L132 HydrophobicContact CD1-CD2 3.89Å; I92-L132 HydrophobicContact CD1-CG 4.42Å; I92-L132 HydrophobicContact CG1-CD1 4.45Å; I92-L132 HydrophobicContact CG1-CD2 3.66Å; I92-L132 HydrophobicContact CG1-CG 3.69Å; V104-L132 HydrophobicContact CG1-CD1 3.67Å; H127-L132 HydrophobicContact CB-CD2 3.66Å; L132-F365 HydrophobicContact CD1-CD1 3.58Å; L132-F365 HydrophobicContact CD1-CE1 3.52Å; L132-F365 HydrophobicContact CD1-CG 4.15Å; L132-F365 HydrophobicContact CD1-CZ 4.03Å; L132-F365 HydrophobicContact CD2-CB 3.74Å; L132-F365 HydrophobicContact CD2-CD1 3.79Å; L132-F365 HydrophobicContact CD2-CD2 4.35Å; L132-F365 HydrophobicContact CD2-CG 3.69Å; L132-F365 HydrophobicContact CG-CD1 4.35Å; L132-F368 HydrophobicContact CB-CD1 4.09Å; L132-F368 HydrophobicContact CB-CE1 3.68Å; L132-F368 HydrophobicContact CB-CZ 3.93Å; L132-F368 HydrophobicContact CD1-CE2 4.49Å; L132-F368 HydrophobicContact CD2-CB 4.45Å; L132-F368 HydrophobicContact CD2-CD1 3.96Å; L132-F368 HydrophobicContact CD2-CE1 4.41Å; L132-F368 HydrophobicContact CD2-CG 4.07Å
133	Y	95.6	Very high	95.1	Very high	15 Å²	15	28.3 Å²	28.3	6%	0.059	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.9	-175.4	-62.3	-86.2	0	0	0	111.6	L56 L87 K88 Q89 T125 H126 D128 F131 F368	L56-Y133 HydrophobicContact CD1-CD2 4.22Å; L56-Y133 HydrophobicContact CD1-CE1 4.15Å; L56-Y133 HydrophobicContact CD1-CE2 3.71Å; L56-Y133 HydrophobicContact CD2-CD1 3.82Å; L56-Y133 HydrophobicContact CD2-CD2 4.38Å; L56-Y133 HydrophobicContact CD2-CE1 3.94Å; L56-Y133 HydrophobicContact CD2-CG 4.04Å; L87-Y133 HydrophobicContact CD1-CD1 4.11Å; L87-Y133 HydrophobicContact CD2-CD1 4.07Å; L87-Y133 HydrophobicContact CD2-CE1 4.49Å; L87-Y133 HydrophobicContact CG-CD1 4.19Å; K88-Y133 WeakPolarHBondContact O-CA 3.38Å; Q89-Y133 HydrophobicContact CB-CD1 4.22Å; Q89-Y133 HydrophobicContact CB-CE1 4.18Å; Q89-Y133 HydrophobicContact CG-CD1 4.07Å; Q89-Y133 HydrophobicContact CG-CE1 3.63Å; Q89-Y133 PolarHBondContact NE2-OH 2.7Å; T125-Y133 VanDerWaalsContact CA-O 3.24Å; T125-Y133 WeakPolarHBondContact CA-O 3.38Å; H126-Y133 PolarHBondContact N-O 2.84Å; H126-Y133 VanDerWaalsContact N-O 3.12Å; H126-Y133 PolarHBondContact O-N 3.19Å; D128-Y133 HydrophobicContact CB-CE2 4.28Å; D128-Y133 VanDerWaalsContact OD2-CE2 3.24Å; D128-Y133 WeakPolarHBondContact OD2-CE2 3.44Å; D128-Y133 VanDerWaalsContact OD2-CZ 3.32Å; D128-Y133 PolarHBondContact OD2-OH 2.69Å; F131-Y133 HydrophobicContact CB-CD2 4.39Å; F131-Y133 HydrophobicContact CB-CE1 4.38Å; F131-Y133 HydrophobicContact CB-CE2 3.65Å; F131-Y133 WeakPolarHBondContact CD2-OH 3.35Å; Y133-F368 WeakPolarHBondContact O-CE1 3.41Å
134	M	95.4	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121	167.1	-59.2	178.6	171.2	0	0	109.7	L87 K88 M90 V104 E107 K108 L111 L122 T125 M136 F368	L87-M134 WeakPolarHBondContact CA-O 3.24Å; K88-M134 HydrophobicContact CB-CB 4.27Å; K88-M134 HydrophobicContact CD-SD 4.23Å; K88-M134 PolarHBondContact N-O 3.31Å; K88-M134 PolarHBondContact O-N 3.36Å; M90-M134 HydrophobicContact CE-CE 4.09Å; M90-M134 HydrophobicContact CE-CG 4.37Å; M90-M134 HydrophobicContact CE-SD 4.19Å; V104-M134 HydrophobicContact CG1-CE 4.38Å; E107-M134 HydrophobicContact CB-CE 4.24Å; E107-M134 HydrophobicContact CG-CE 4.04Å; E107-M134 HydrophobicContact CG-SD 4.29Å; K108-M134 HydrophobicContact CB-CE 3.99Å; L111-M134 HydrophobicContact CD1-SD 4.12Å; L122-M134 HydrophobicContact CD1-CB 3.82Å; L122-M134 HydrophobicContact CD1-CG 4.37Å; T125-M134 HydrophobicContact CG2-CG 4.12Å; M134-M136 HydrophobicContact CB-CG 4.44Å; M134-M136 HydrophobicContact CB-SD 4.47Å; M134-F368 HydrophobicContact CE-CE2 3.77Å; M134-F368 HydrophobicContact CE-CZ 3.61Å; M134-F368 HydrophobicContact CG-CE1 4.47Å; M134-F368 HydrophobicContact CG-CZ 3.85Å
135	L	96.6	Very high	95.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.2	176.6	-173.6	73.2	0	0	0	109.8	Y54 L59 V76 F85 L87 F123 W124	Y54-L135 HydrophobicContact CD1-CD2 3.6Å; Y54-L135 HydrophobicContact CD2-CD2 4.02Å; Y54-L135 HydrophobicContact CE1-CD2 3.85Å; Y54-L135 HydrophobicContact CE2-CD2 4.25Å; Y54-L135 HydrophobicContact CG-CD2 3.69Å; L59-L135 HydrophobicContact CD1-CD1 3.87Å; L59-L135 HydrophobicContact CD1-CD2 4.42Å; L59-L135 HydrophobicContact CD2-CD1 4.15Å; L59-L135 HydrophobicContact CD2-CD2 4.37Å; V76-L135 HydrophobicContact CG2-CD1 3.71Å; F85-L135 HydrophobicContact CB-CD1 3.48Å; F85-L135 VanDerWaalsContact CB-CD1 3.48Å; F85-L135 HydrophobicContact CB-CG 4.07Å; F85-L135 HydrophobicContact CD1-CG 4.32Å; F85-L135 HydrophobicContact CG-CD1 4.04Å; F85-L135 HydrophobicContact CG-CD2 4.48Å; F85-L135 HydrophobicContact CG-CG 4.22Å; L87-L135 HydrophobicContact CB-CD1 4.39Å; L87-L135 HydrophobicContact CD1-CB 4.28Å; L87-L135 HydrophobicContact CD1-CD1 4.12Å; F123-L135 HydrophobicContact CB-CD2 4.46Å; F123-L135 PolarHBondContact N-O 3.43Å; W124-L135 HydrophobicContact CB-CB 4.09Å; W124-L135 HydrophobicContact CB-CD2 4.23Å; W124-L135 HydrophobicContact CE3-CB 4.18Å; W124-L135 PolarHBondContact O-N 2.72Å
136	M	96.1	Very high	95.2	Very high	11 Å²	11	26.9 Å²	26.9	5%	0.054	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	170.7	-169.6	-59.9	176.9	-63.1	0	0	112.3	F85 A86 K88 L111 I120 R121 L122 M134 Y138	F85-M136 WeakPolarHBondContact CA-O 3.47Å; F85-M136 WeakPolarHBondContact CB-O 3.26Å; A86-M136 PolarHBondContact N-O 3.16Å; A86-M136 PolarHBondContact O-N 3.06Å; K88-M136 HydrophobicContact CB-CE 3.67Å; K88-M136 HydrophobicContact CD-CE 4.26Å; L111-M136 HydrophobicContact CD1-SD 4.22Å; I120-M136 HydrophobicContact CG1-CB 4.2Å; R121-M136 CarbonylContact O-C 3.24Å; R121-M136 WeakPolarHBondContact O-CA 3.35Å; R121-M136 WeakPolarHBondContact O-CB 3.24Å; L122-M136 HydrophobicContact CD1-CG 3.99Å; M134-M136 HydrophobicContact CB-CG 4.44Å; M134-M136 HydrophobicContact CB-SD 4.47Å; M136-Y138 PolarHBondContact O-N 2.79Å
137	D	93.5	Very high	95.3	Very high	28 Å²	28	24.8 Å²	24.8	15%	0.15	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.4	134.7	168.8	-75.2	-34	0	0	0	110.6	A86 I120 R121 F123 V139 R197	A86-D137 WeakPolarHBondContact CB-O 3.13Å; I120-D137 HydrophobicContact CD1-CB 3.78Å; I120-D137 HydrophobicContact CG1-CB 4.23Å; R121-D137 VanDerWaalsContact CB-OD2 3.24Å; R121-D137 WeakPolarHBondContact CB-OD2 3.34Å; R121-D137 PolarHBondContact N-OD2 2.89Å; R121-D137 PolarHBondContact O-N 2.78Å; F123-D137 VanDerWaalsContact CE2-OD1 3.24Å; F123-D137 WeakPolarHBondContact CE2-OD1 3.24Å; F123-D137 WeakPolarHBondContact CZ-OD1 3.48Å; D137-V139 HydrophobicContact CB-CG2 4.22Å; D137-R197 IonicContact OD2-CZ 3.38Å; D137-R197 IonicContact OD2-NH1 3.89Å; D137-R197 PolarHBondContact OD2-NH1 3.43Å
138	Y	95.9	Very high	95.4	Very high	26 Å²	26	22.5 Å²	22.5	10%	0.102	11%	0.112	C	C	.	.			trans	-87.4	135.9	160.5	-174.9	-123.5	0	0	0	109.9	V65 L75 F84 M136 P140 E337 D339 F343	V65-Y138 HydrophobicContact CG1-CE2 4.31Å; V65-Y138 HydrophobicContact CG2-CE2 4.31Å; L75-Y138 HydrophobicContact CD1-CD1 3.6Å; L75-Y138 HydrophobicContact CD1-CD2 3.86Å; L75-Y138 HydrophobicContact CD1-CE1 3.73Å; L75-Y138 HydrophobicContact CD1-CE2 4.03Å; L75-Y138 HydrophobicContact CD1-CG 3.66Å; L75-Y138 HydrophobicContact CD2-CE1 4.37Å; F84-Y138 HydrophobicContact CB-CD1 4.28Å; M136-Y138 PolarHBondContact O-N 2.79Å; Y138-P140 HydrophobicContact CD1-CB 4.26Å; Y138-P140 HydrophobicContact CE1-CB 3.74Å; Y138-E337 WeakPolarHBondContact CD1-O 3.35Å; Y138-E337 WeakPolarHBondContact CE1-O 3.48Å; Y138-D339 PolarHBondContact OH-O 3.3Å; Y138-D339 VanDerWaalsContact OH-O 3.08Å; Y138-F343 AromaticContact CE2-CE2 3.94Å; Y138-F343 HydrophobicContact CE2-CE2 3.94Å; Y138-F343 HydrophobicContact CE2-CZ 4.1Å; Y138-F343 AromaticContact CZ-CE2 3.88Å; Y138-F343 VanDerWaalsContact OH-CE2 3.27Å; Y138-F343 WeakPolarHBondContact OH-CE2 3.36Å
139	V	95.5	Very high	95.5	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.036	12%	0.119	C	C	.	.			trans	-126.9	86.9	-171.7	-173.3	0	0	0	0	108.5	I120 D137 G141 L189 L190 D191 R197 F343	I120-V139 HydrophobicContact CD1-CG2 3.55Å; D137-V139 HydrophobicContact CB-CG2 4.22Å; V139-G141 VanDerWaalsContact C-N 3.27Å; V139-G141 PolarHBondContact O-N 3.19Å; V139-G141 VanDerWaalsContact O-N 3.14Å; V139-L189 HydrophobicContact CB-CB 4.04Å; V139-L189 HydrophobicContact CB-CD1 3.91Å; V139-L189 HydrophobicContact CG1-CB 3.55Å; V139-L189 HydrophobicContact CG1-CD1 4.37Å; V139-L189 HydrophobicContact CG2-CD1 4.33Å; V139-L190 VanDerWaalsContact CG1-C 3.48Å; V139-L190 VanDerWaalsContact CG1-O 3.29Å; V139-L190 WeakPolarHBondContact CG1-O 3.34Å; V139-D191 HydrophobicContact CG1-CB 4.13Å; V139-R197 HydrophobicContact CG1-CB 4.25Å; V139-R197 HydrophobicContact CG1-CG 4.13Å; V139-R197 HydrophobicContact CG2-CB 4.1Å; V139-R197 HydrophobicContact CG2-CG 3.97Å; V139-F343 WeakPolarHBondContact O-CZ 3.25Å
140	P	93.8	Very high	95.6	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.065	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-8.4	-159.5	27.1	-36.5	0	0	0	115.7	Y138 V334 N342	Y138-P140 HydrophobicContact CD1-CB 4.26Å; Y138-P140 HydrophobicContact CE1-CB 3.74Å; P140-V334 HydrophobicContact CB-CG1 3.98Å; P140-V334 HydrophobicContact CB-CG2 3.98Å; P140-V334 HydrophobicContact CG-CG1 4.01Å; P140-V334 HydrophobicContact CG-CG2 4.11Å; P140-N342 PolarHBondContact O-ND2 2.94Å
141	G	94.6	Very high	95.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.1	-176.2	0	0	0	0	0	115.5	V139 Y147 L190 P332 N342	V139-G141 VanDerWaalsContact C-N 3.27Å; V139-G141 PolarHBondContact O-N 3.19Å; V139-G141 VanDerWaalsContact O-N 3.14Å; G141-Y147 WeakPolarHBondContact O-CE2 3.42Å; G141-Y147 PolarHBondContact O-OH 3.4Å; G141-L190 CarbonylContact C-O 3.5Å; G141-L190 WeakPolarHBondContact CA-O 3.45Å; G141-L190 PolarHBondContact N-O 3.42Å; G141-P332 VanDerWaalsContact CA-CB 3.47Å; G141-N342 WeakPolarHBondContact O-CB 3.31Å
142	G	93.3	Very high	95.9	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.163	C	C	.	.			trans	75	-173.1	178	0	0	0	0	0	114.6	L189 L190	G142-L189 CarbonylContact O-C 3.45Å; G142-L189 WeakPolarHBondContact O-CA 3.38Å; G142-L190 PolarHBondContact O-N 2.99Å
143	E	94.8	Very high	96	Very high	62 Å²	62	36.4 Å²	36.4	29%	0.29	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-74.9	139.8	-172.7	-58.8	177.9	-166.4	0	0	114.1	F145 S146 Y147 L189	E143-F145 HydrophobicContact CB-CB 4.14Å; E143-F145 PolarHBondContact O-N 2.88Å; E143-S146 PolarHBondContact O-N 2.67Å; E143-S146 VanDerWaalsContact O-N 3.1Å; E143-Y147 VanDerWaalsContact O-CD2 3.24Å; E143-Y147 WeakPolarHBondContact O-CD2 3.32Å; E143-L189 HydrophobicContact CB-CD2 4.45Å; E143-L189 HydrophobicContact CG-CD2 3.84Å
144	L	97.6	Very high	96.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-29.8	170.9	-172.2	65.8	0	0	0	111.8	S146 Y147 L148 F154 Y162 P185 I188 L190 M247	L144-S146 PolarHBondContact O-N 3.47Å; L144-Y147 PolarHBondContact O-N 3.35Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 PolarHBondContact O-N 3.36Å; L144-F154 HydrophobicContact CD1-CE2 3.67Å; L144-F154 HydrophobicContact CD1-CZ 3.61Å; L144-F154 HydrophobicContact CD2-CE2 4.37Å; L144-F154 HydrophobicContact CG-CE2 3.98Å; L144-F154 HydrophobicContact CG-CZ 4.12Å; L144-Y162 HydrophobicContact CD1-CD2 3.95Å; L144-Y162 HydrophobicContact CD1-CE2 3.79Å; L144-Y162 HydrophobicContact CD1-CG 4.46Å; L144-Y162 HydrophobicContact CD2-CG 4.5Å; L144-P185 PolarHBondContact N-O 2.69Å; L144-I188 HydrophobicContact CB-CB 4.03Å; L144-I188 HydrophobicContact CB-CG2 4.03Å; L144-I188 VanDerWaalsContact CB-O 3.27Å; L144-I188 WeakPolarHBondContact CB-O 3.47Å; L144-I188 HydrophobicContact CD2-CB 4.22Å; L144-I188 HydrophobicContact CD2-CD1 4.19Å; L144-I188 HydrophobicContact CD2-CG2 3.83Å; L144-I188 PolarHBondContact N-O 3.18Å; L144-L190 HydrophobicContact CD1-CD1 4.27Å; L144-L190 HydrophobicContact CD1-CD2 4.25Å; L144-L190 HydrophobicContact CD1-CG 4.42Å; L144-M247 HydrophobicContact CD2-SD 4.28Å
145	F	96.1	Very high	96.2	Very high	37 Å²	37	38.5 Å²	38.5	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-49.9	-51.5	170.2	-176.2	-94.2	0	0	0	112.2	E143 Y147 L148 R149 P185 E186	E143-F145 HydrophobicContact CB-CB 4.14Å; E143-F145 PolarHBondContact O-N 2.88Å; F145-Y147 VanDerWaalsContact C-N 3.33Å; F145-Y147 PolarHBondContact O-N 2.96Å; F145-L148 PolarHBondContact O-N 2.97Å; F145-L148 VanDerWaalsContact O-N 3.08Å; F145-R149 HydrophobicContact CD1-CG 3.91Å; F145-R149 HydrophobicContact CD2-CG 4.44Å; F145-R149 HydrophobicContact CE1-CG 3.67Å; F145-R149 HydrophobicContact CE2-CG 4.25Å; F145-R149 HydrophobicContact CG-CG 4.3Å; F145-R149 HydrophobicContact CZ-CG 3.86Å; F145-R149 WeakPolarHBondContact O-CG 3.35Å; F145-R149 PolarHBondContact O-N 3Å; F145-P185 HydrophobicContact CB-CB 3.86Å; F145-P185 HydrophobicContact CD2-CB 4.19Å; F145-P185 PolarHBondContact N-O 2.56Å; F145-E186 HydrophobicContact CB-CG 4.08Å; F145-E186 VanDerWaalsContact CD2-CD 3.47Å; F145-E186 HydrophobicContact CD2-CG 3.78Å; F145-E186 VanDerWaalsContact CD2-OE1 3.24Å; F145-E186 WeakPolarHBondContact CD2-OE1 3.5Å; F145-E186 HydrophobicContact CE2-CG 4.33Å; F145-E186 WeakPolarHBondContact CE2-OE1 3.37Å; F145-E186 HydrophobicContact CG-CG 3.98Å
146	S	94.6	Very high	96.3	Very high	62 Å²	62	42 Å²	42	43%	0.434	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-37.3	-178.6	-68.7	0	0	0	0	112.5	E143 L144 S150	E143-S146 PolarHBondContact O-N 2.67Å; E143-S146 VanDerWaalsContact O-N 3.1Å; L144-S146 PolarHBondContact O-N 3.47Å; S146-S150 VanDerWaalsContact O-CB 3.26Å; S146-S150 WeakPolarHBondContact O-CB 3.46Å; S146-S150 PolarHBondContact O-N 3.29Å; S146-S150 PolarHBondContact O-OG 2.89Å
147	Y	97.4	Very high	96.4	Very high	31 Å²	31	44.5 Å²	44.5	12%	0.122	24%	0.242	C	C	.	.	H	α-helix	trans	-69.2	-35.8	172.8	-65.8	-76.8	0	0	0	113	G141 E143 L144 F145 S150 R151 F154 L190 I330 P332	G141-Y147 WeakPolarHBondContact O-CE2 3.42Å; G141-Y147 PolarHBondContact O-OH 3.4Å; E143-Y147 VanDerWaalsContact O-CD2 3.24Å; E143-Y147 WeakPolarHBondContact O-CD2 3.32Å; L144-Y147 PolarHBondContact O-N 3.35Å; F145-Y147 VanDerWaalsContact C-N 3.33Å; F145-Y147 PolarHBondContact O-N 2.96Å; Y147-S150 WeakPolarHBondContact CA-OG 3.27Å; Y147-S150 PolarHBondContact O-OG 2.78Å; Y147-R151 WeakPolarHBondContact O-CB 3.46Å; Y147-R151 VanDerWaalsContact O-CG 3.28Å; Y147-R151 WeakPolarHBondContact O-CG 3.31Å; Y147-R151 PolarHBondContact O-N 2.98Å; Y147-F154 WeakPolarHBondContact O-CE1 3.24Å; Y147-L190 HydrophobicContact CD2-CD1 3.74Å; Y147-L190 HydrophobicContact CD2-CG 4.44Å; Y147-L190 HydrophobicContact CE2-CD1 3.78Å; Y147-L190 HydrophobicContact CE2-CG 4.36Å; Y147-L190 HydrophobicContact CG-CD1 4.34Å; Y147-I330 HydrophobicContact CD1-CD1 4.28Å; Y147-I330 HydrophobicContact CD1-CG2 3.65Å; Y147-I330 HydrophobicContact CE1-CG2 3.75Å; Y147-I330 HydrophobicContact CG-CD1 4.14Å; Y147-I330 HydrophobicContact CG-CG2 4.29Å; Y147-P332 WeakPolarHBondContact OH-CB 3.38Å
148	L	98.1	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-47.5	178	-177.9	56.3	0	0	0	111.2	L144 F145 R151 G152 F154 P185 E246 M247	L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 PolarHBondContact O-N 3.36Å; F145-L148 PolarHBondContact O-N 2.97Å; F145-L148 VanDerWaalsContact O-N 3.08Å; L148-R151 PolarHBondContact O-N 3.39Å; L148-G152 CarbonylContact O-C 3.49Å; L148-G152 WeakPolarHBondContact O-CA 3.33Å; L148-G152 PolarHBondContact O-N 2.69Å; L148-F154 HydrophobicContact CB-CE1 4.06Å; L148-F154 HydrophobicContact CB-CE2 4.19Å; L148-F154 HydrophobicContact CB-CZ 3.72Å; L148-F154 HydrophobicContact CD1-CD1 3.97Å; L148-F154 HydrophobicContact CD1-CD2 4.01Å; L148-F154 HydrophobicContact CD1-CE1 4.1Å; L148-F154 HydrophobicContact CD1-CE2 4.12Å; L148-F154 HydrophobicContact CD1-CG 3.92Å; L148-F154 HydrophobicContact CD1-CZ 4.16Å; L148-P185 HydrophobicContact CD2-CG 4.34Å; L148-E246 HydrophobicContact CD2-CG 3.96Å; L148-M247 HydrophobicContact CD2-CG 4.45Å
149	R	96.6	Very high	96.8	Very high	100 Å²	100	42.5 Å²	42.5	38%	0.377	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-45.4	178.9	-64.8	-65.8	172.4	-132.9	-8.1	112.1	F145 R151 G152 E246 G250	F145-R149 HydrophobicContact CD1-CG 3.91Å; F145-R149 HydrophobicContact CD2-CG 4.44Å; F145-R149 HydrophobicContact CE1-CG 3.67Å; F145-R149 HydrophobicContact CE2-CG 4.25Å; F145-R149 HydrophobicContact CG-CG 4.3Å; F145-R149 HydrophobicContact CZ-CG 3.86Å; F145-R149 WeakPolarHBondContact O-CG 3.35Å; F145-R149 PolarHBondContact O-N 3Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.15Å; R149-G152 PolarHBondContact O-N 2.85Å; R149-G152 VanDerWaalsContact O-N 3.14Å; R149-E246 IonicContact CZ-OE1 2.61Å; R149-E246 IonicContact NH1-OE1 2.77Å; R149-E246 PolarHBondContact NH1-OE1 3.03Å; R149-E246 IonicContact NH2-OE1 3.31Å; R149-E246 PolarHBondContact NH2-OE1 2.72Å; R149-G250 PolarHBondContact NH1-O 3.42Å
150	S	96.3	Very high	97	Very high	95 Å²	95	43.1 Å²	43.1	66%	0.664	24%	0.236	S	C	*	.	H	α-helix	trans	-65.6	-27.1	178.3	57.4	0	0	0	0	113.9	S146 Y147	S146-S150 VanDerWaalsContact O-CB 3.26Å; S146-S150 WeakPolarHBondContact O-CB 3.46Å; S146-S150 PolarHBondContact O-N 3.29Å; S146-S150 PolarHBondContact O-OG 2.89Å; Y147-S150 WeakPolarHBondContact CA-OG 3.27Å; Y147-S150 PolarHBondContact O-OG 2.78Å
151	R	97.4	Very high	97.2	Very high	125 Å²	125	43.5 Å²	43.5	47%	0.472	24%	0.237	S	C	.	.	H	α-helix	trans	-92.6	-7.3	174.3	-65.3	-179.9	-177.6	-158.4	0.6	113.6	Y147 L148 R149 R153	Y147-R151 WeakPolarHBondContact O-CB 3.46Å; Y147-R151 VanDerWaalsContact O-CG 3.28Å; Y147-R151 WeakPolarHBondContact O-CG 3.31Å; Y147-R151 PolarHBondContact O-N 2.98Å; L148-R151 PolarHBondContact O-N 3.39Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.15Å; R151-R153 PolarHBondContact O-N 3Å
152	G	98	Very high	97.4	Very high	42 Å²	42	43.5 Å²	43.5	43%	0.433	24%	0.237	S	C	.	.	S	Bend	trans	70.3	-47.3	-170.2	0	0	0	0	0	113.7	L148 R149 G250	L148-G152 CarbonylContact O-C 3.49Å; L148-G152 WeakPolarHBondContact O-CA 3.33Å; L148-G152 PolarHBondContact O-N 2.69Å; R149-G152 PolarHBondContact O-N 2.85Å; R149-G152 VanDerWaalsContact O-N 3.14Å; G152-G250 WeakPolarHBondContact O-CA 3.48Å
153	R	98.1	Very high	97.7	Very high	114 Å²	114	43.5 Å²	43.5	43%	0.43	24%	0.236	S	C	.	.	S	Bend	trans	-157.5	158.1	171.2	64.3	-175.6	-174.8	76.7	1.8	111.3	R151	R151-R153 PolarHBondContact O-N 3Å
154	F	98.6	Very high	97.9	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	22%	0.223	C	C	.	.			trans	-84.1	163.8	175.6	-66.4	-24.1	0	0	0	113.6	L144 Y147 L148 T158 Y162 M247 I330	L144-F154 HydrophobicContact CD1-CE2 3.67Å; L144-F154 HydrophobicContact CD1-CZ 3.61Å; L144-F154 HydrophobicContact CD2-CE2 4.37Å; L144-F154 HydrophobicContact CG-CE2 3.98Å; L144-F154 HydrophobicContact CG-CZ 4.12Å; Y147-F154 WeakPolarHBondContact O-CE1 3.24Å; L148-F154 HydrophobicContact CB-CE1 4.06Å; L148-F154 HydrophobicContact CB-CE2 4.19Å; L148-F154 HydrophobicContact CB-CZ 3.72Å; L148-F154 HydrophobicContact CD1-CD1 3.97Å; L148-F154 HydrophobicContact CD1-CD2 4.01Å; L148-F154 HydrophobicContact CD1-CE1 4.1Å; L148-F154 HydrophobicContact CD1-CE2 4.12Å; L148-F154 HydrophobicContact CD1-CG 3.92Å; L148-F154 HydrophobicContact CD1-CZ 4.16Å; F154-T158 HydrophobicContact CB-CG2 3.85Å; F154-T158 HydrophobicContact CD1-CG2 4.02Å; F154-T158 HydrophobicContact CD2-CG2 3.99Å; F154-T158 HydrophobicContact CG-CG2 3.7Å; F154-Y162 HydrophobicContact CE2-CD2 4.32Å; F154-M247 WeakPolarHBondContact CB-O 3.24Å; F154-M247 HydrophobicContact CD2-CB 3.87Å; F154-M247 HydrophobicContact CD2-CG 3.79Å; F154-M247 HydrophobicContact CD2-SD 3.88Å; F154-M247 HydrophobicContact CE2-CG 4.03Å; F154-M247 HydrophobicContact CE2-SD 4.03Å; F154-M247 PolarHBondContact N-O 2.96Å; F154-I330 HydrophobicContact CE1-CD1 3.92Å; F154-I330 HydrophobicContact CZ-CD1 4.14Å
155	S	98.4	Very high	97.9	Very high	56 Å²	56	40.7 Å²	40.7	39%	0.392	22%	0.224	S	C	.	.			trans	-78.2	160.8	169.4	83.8	0	0	0	0	110.9	A157 T158 G159 L248	S155-A157 VanDerWaalsContact C-N 3.26Å; S155-A157 PolarHBondContact O-N 3.49Å; S155-A157 PolarHBondContact OG-N 2.8Å; S155-T158 PolarHBondContact O-N 3.4Å; S155-T158 VanDerWaalsContact O-N 3.14Å; S155-T158 WeakPolarHBondContact OG-CB 3.44Å; S155-T158 PolarHBondContact OG-N 2.78Å; S155-T158 PolarHBondContact OG-OG1 3.47Å; S155-G159 PolarHBondContact O-N 2.95Å; S155-L248 VanDerWaalsContact O-CD2 3.31Å; S155-L248 WeakPolarHBondContact O-CD2 3.38Å
156	N	98.1	Very high	98.1	Very high	72 Å²	72	39 Å²	39	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-56	-41	175.2	-173.4	83.7	0	0	0	112.4	L160 V281 W312	N156-L160 WeakPolarHBondContact O-CB 3.24Å; N156-L160 PolarHBondContact O-N 3.43Å; N156-V281 VanDerWaalsContact OD1-CG2 3.24Å; N156-V281 WeakPolarHBondContact OD1-CG2 3.37Å; N156-W312 PolarHBondContact ND2-NE1 3.21Å; N156-W312 PolarHBondContact OD1-NE1 3.14Å
157	A	98.3	Very high	98.3	Very high	65 Å²	65	36 Å²	36	54%	0.537	20%	0.195	S	C	.	.	H	α-helix	trans	-68.3	-38.7	177.9	0	0	0	0	0	112.4	S155 L160 F161	S155-A157 VanDerWaalsContact C-N 3.26Å; S155-A157 PolarHBondContact O-N 3.49Å; S155-A157 PolarHBondContact OG-N 2.8Å; A157-L160 PolarHBondContact O-N 3.01Å; A157-F161 WeakPolarHBondContact O-CB 3.4Å; A157-F161 PolarHBondContact O-N 2.96Å
158	T	98.7	Very high	98.3	Very high	12 Å²	12	34.8 Å²	34.8	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-46.3	176.6	-52.4	0	0	0	0	111.4	F154 S155 Y162 P329 I330	F154-T158 HydrophobicContact CB-CG2 3.85Å; F154-T158 HydrophobicContact CD1-CG2 4.02Å; F154-T158 HydrophobicContact CD2-CG2 3.99Å; F154-T158 HydrophobicContact CG-CG2 3.7Å; S155-T158 PolarHBondContact O-N 3.4Å; S155-T158 VanDerWaalsContact O-N 3.14Å; S155-T158 WeakPolarHBondContact OG-CB 3.44Å; S155-T158 PolarHBondContact OG-N 2.78Å; S155-T158 PolarHBondContact OG-OG1 3.47Å; T158-Y162 HydrophobicContact CG2-CD2 4.1Å; T158-Y162 HydrophobicContact CG2-CE2 3.83Å; T158-Y162 VanDerWaalsContact O-CD2 3.31Å; T158-Y162 WeakPolarHBondContact O-CD2 3.49Å; T158-Y162 PolarHBondContact O-N 2.7Å; T158-P329 HydrophobicContact CG2-CB 4.07Å; T158-P329 HydrophobicContact CG2-CG 3.88Å; T158-I330 HydrophobicContact CG2-CD1 4.42Å; T158-I330 HydrophobicContact CG2-CG1 4.43Å
159	G	98.5	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-39.3	175.7	0	0	0	0	0	112.6	S155 T163	S155-G159 PolarHBondContact O-N 2.95Å; G159-T163 WeakPolarHBondContact O-CB 3.42Å; G159-T163 PolarHBondContact O-N 2.6Å; G159-T163 PolarHBondContact O-OG1 2.91Å
160	L	98.8	Very high	98.5	Very high	19 Å²	19	30.1 Å²	30.1	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-45	176.5	178.3	64.3	0	0	0	112.1	N156 A157 S164 W312 F313 V316	N156-L160 WeakPolarHBondContact O-CB 3.24Å; N156-L160 PolarHBondContact O-N 3.43Å; A157-L160 PolarHBondContact O-N 3.01Å; L160-S164 WeakPolarHBondContact O-CB 3.37Å; L160-S164 PolarHBondContact O-N 3.26Å; L160-S164 PolarHBondContact O-OG 2.92Å; L160-W312 VanDerWaalsContact CA-CH2 3.45Å; L160-W312 HydrophobicContact CB-CH2 4.11Å; L160-W312 HydrophobicContact CB-CZ2 3.85Å; L160-W312 HydrophobicContact CD1-CD2 3.79Å; L160-W312 HydrophobicContact CD1-CE3 3.65Å; L160-W312 HydrophobicContact CD1-CG 4.45Å; L160-W312 HydrophobicContact CD1-CH2 4.26Å; L160-W312 HydrophobicContact CD1-CZ2 4.3Å; L160-W312 HydrophobicContact CD1-CZ3 3.93Å; L160-W312 WeakPolarHBondContact CD1-O 3.39Å; L160-F313 HydrophobicContact CD1-CD1 3.46Å; L160-F313 VanDerWaalsContact CD1-CD1 3.46Å; L160-F313 HydrophobicContact CD1-CE1 4Å; L160-F313 HydrophobicContact CD1-CG 4.18Å; L160-V316 HydrophobicContact CD1-CG2 3.96Å; L160-V316 HydrophobicContact CD2-CG2 4.31Å; L160-V316 HydrophobicContact CG-CG2 4.12Å
161	F	98.9	Very high	98.6	Very high	18 Å²	18	28.4 Å²	28.4	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-56.5	-59.6	176.2	177.6	-85.9	0	0	0	111	A157 T163 S164 E165 H195 L326 K327 P328 P329	A157-F161 WeakPolarHBondContact O-CB 3.4Å; A157-F161 PolarHBondContact O-N 2.96Å; F161-T163 VanDerWaalsContact C-N 3.33Å; F161-T163 PolarHBondContact O-N 3.04Å; F161-S164 WeakPolarHBondContact O-CB 3.43Å; F161-S164 PolarHBondContact O-N 3.14Å; F161-E165 HydrophobicContact CE1-CG 4.27Å; F161-E165 HydrophobicContact CZ-CG 4.47Å; F161-E165 WeakPolarHBondContact CZ-OE1 3.07Å; F161-E165 PolarHBondContact O-N 3.3Å; F161-H195 AromaticContact CZ-ND1 3.81Å; F161-L326 HydrophobicContact CD2-CB 4.16Å; F161-L326 HydrophobicContact CE2-CB 3.72Å; F161-K327 WeakPolarHBondContact CE2-O 3.23Å; F161-P328 HydrophobicContact CE1-CB 4.41Å; F161-P328 HydrophobicContact CZ-CB 4.06Å; F161-P328 HydrophobicContact CZ-CG 3.93Å; F161-P329 HydrophobicContact CB-CG 4.04Å; F161-P329 HydrophobicContact CD1-CG 3.81Å; F161-P329 VanDerWaalsContact CG-CD 3.48Å; F161-P329 HydrophobicContact CG-CG 3.94Å
162	Y	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-36.9	-176.4	-68.1	-51.5	0	0	0	112.7	L144 F154 T158 S164 E165 I166 L190 G194 I196 P329 I330	L144-Y162 HydrophobicContact CD1-CD2 3.95Å; L144-Y162 HydrophobicContact CD1-CE2 3.79Å; L144-Y162 HydrophobicContact CD1-CG 4.46Å; L144-Y162 HydrophobicContact CD2-CG 4.5Å; F154-Y162 HydrophobicContact CE2-CD2 4.32Å; T158-Y162 HydrophobicContact CG2-CD2 4.1Å; T158-Y162 HydrophobicContact CG2-CE2 3.83Å; T158-Y162 VanDerWaalsContact O-CD2 3.31Å; T158-Y162 WeakPolarHBondContact O-CD2 3.49Å; T158-Y162 PolarHBondContact O-N 2.7Å; Y162-S164 VanDerWaalsContact C-N 3.26Å; Y162-S164 PolarHBondContact O-N 2.96Å; Y162-E165 PolarHBondContact O-N 3.17Å; Y162-I166 WeakPolarHBondContact O-CD1 3.33Å; Y162-I166 WeakPolarHBondContact O-CG1 3.27Å; Y162-I166 PolarHBondContact O-N 2.83Å; Y162-L190 HydrophobicContact CD1-CD2 4.38Å; Y162-L190 HydrophobicContact CE1-CD2 3.59Å; Y162-G194 WeakPolarHBondContact CE1-O 3.36Å; Y162-G194 PolarHBondContact OH-O 3.15Å; Y162-I196 HydrophobicContact CD1-CG2 3.48Å; Y162-I196 VanDerWaalsContact CD1-CG2 3.48Å; Y162-I196 HydrophobicContact CE1-CG2 4Å; Y162-I196 HydrophobicContact CG-CG2 4.42Å; Y162-P329 HydrophobicContact CD2-CG 4.44Å; Y162-P329 HydrophobicContact CE2-CG 3.75Å; Y162-I330 HydrophobicContact CE2-CD1 4.07Å; Y162-I330 HydrophobicContact CE2-CG1 4.17Å; Y162-I330 VanDerWaalsContact OH-CB 3.32Å; Y162-I330 WeakPolarHBondContact OH-CB 3.34Å; Y162-I330 WeakPolarHBondContact OH-CG1 3.31Å
163	T	98.9	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-34	174.5	-48.6	0	0	0	0	111.8	G159 F161 I166 V167 L240 V244 M247 W312 F313	G159-T163 WeakPolarHBondContact O-CB 3.42Å; G159-T163 PolarHBondContact O-N 2.6Å; G159-T163 PolarHBondContact O-OG1 2.91Å; F161-T163 VanDerWaalsContact C-N 3.33Å; F161-T163 PolarHBondContact O-N 3.04Å; T163-I166 PolarHBondContact O-N 3.09Å; T163-V167 HydrophobicContact CG2-CG2 4.3Å; T163-V167 WeakPolarHBondContact O-CB 3.21Å; T163-V167 WeakPolarHBondContact O-CG2 3.2Å; T163-V167 PolarHBondContact O-N 3.45Å; T163-L240 HydrophobicContact CG2-CD1 3.97Å; T163-L240 HydrophobicContact CG2-CD2 4.25Å; T163-L240 HydrophobicContact CG2-CG 4.23Å; T163-V244 HydrophobicContact CG2-CG2 3.54Å; T163-V244 WeakPolarHBondContact OG1-CG2 2.91Å; T163-M247 WeakPolarHBondContact OG1-CE 3.45Å; T163-W312 HydrophobicContact CG2-CZ3 3.91Å; T163-F313 HydrophobicContact CG2-CE1 3.88Å; T163-F313 HydrophobicContact CG2-CZ 3.75Å
164	S	98.9	Very high	98.6	Very high	1 Å²	1	18 Å²	18	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-66.4	-43.5	178.8	-54.8	0	0	0	0	111.7	L160 F161 Y162 V167 C168 V316 W318	L160-S164 WeakPolarHBondContact O-CB 3.37Å; L160-S164 PolarHBondContact O-N 3.26Å; L160-S164 PolarHBondContact O-OG 2.92Å; F161-S164 WeakPolarHBondContact O-CB 3.43Å; F161-S164 PolarHBondContact O-N 3.14Å; Y162-S164 VanDerWaalsContact C-N 3.26Å; Y162-S164 PolarHBondContact O-N 2.96Å; S164-V167 PolarHBondContact O-N 3.31Å; S164-C168 PolarHBondContact O-N 2.93Å; S164-V316 WeakPolarHBondContact OG-CG2 3.14Å; S164-W318 WeakPolarHBondContact O-CZ3 3.48Å
165	E	98.9	Very high	98.6	Very high	3 Å²	3	22 Å²	22	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-41.6	175.3	-57.3	-164.8	144.5	0	0	111.8	F118 F161 Y162 C168 A169 H195 I196 V321	F118-E165 HydrophobicContact CD1-CB 4.16Å; F118-E165 HydrophobicContact CD1-CG 4.42Å; F118-E165 HydrophobicContact CD2-CB 3.88Å; F118-E165 HydrophobicContact CD2-CG 4.49Å; F118-E165 WeakPolarHBondContact CD2-O 3.38Å; F118-E165 HydrophobicContact CE1-CB 4.09Å; F118-E165 HydrophobicContact CE1-CG 3.88Å; F118-E165 WeakPolarHBondContact CE1-OE1 3.47Å; F118-E165 HydrophobicContact CE2-CB 3.82Å; F118-E165 HydrophobicContact CE2-CG 3.96Å; F118-E165 HydrophobicContact CG-CB 4.07Å; F118-E165 HydrophobicContact CZ-CB 3.92Å; F118-E165 HydrophobicContact CZ-CG 3.62Å; F118-E165 WeakPolarHBondContact CZ-OE1 3.45Å; F161-E165 HydrophobicContact CE1-CG 4.27Å; F161-E165 HydrophobicContact CZ-CG 4.47Å; F161-E165 WeakPolarHBondContact CZ-OE1 3.07Å; F161-E165 PolarHBondContact O-N 3.3Å; Y162-E165 PolarHBondContact O-N 3.17Å; E165-C168 PolarHBondContact O-N 3.16Å; E165-A169 PolarHBondContact O-N 3.11Å; E165-H195 IonicContact OE1-CE1 2.66Å; E165-H195 IonicContact OE1-CG 2.66Å; E165-H195 IonicContact OE1-ND1 3.66Å; E165-H195 PolarHBondContact OE1-ND1 3.37Å; E165-I196 HydrophobicContact CB-CD1 3.58Å; E165-I196 HydrophobicContact CB-CG1 3.85Å; E165-I196 PolarHBondContact OE2-N 2.9Å; E165-V321 HydrophobicContact CG-CG1 4.49Å
166	I	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-37.3	176.9	-61.3	166.5	0	0	0	111.5	Y162 T163 C168 A169 I170 L183 I188 I196 L240 L243	Y162-I166 WeakPolarHBondContact O-CD1 3.33Å; Y162-I166 WeakPolarHBondContact O-CG1 3.27Å; Y162-I166 PolarHBondContact O-N 2.83Å; T163-I166 PolarHBondContact O-N 3.09Å; I166-C168 VanDerWaalsContact C-N 3.35Å; I166-C168 PolarHBondContact O-N 3.28Å; I166-A169 PolarHBondContact O-N 3.16Å; I166-I170 HydrophobicContact CG2-CD1 3.68Å; I166-I170 HydrophobicContact CG2-CG1 4.04Å; I166-I170 WeakPolarHBondContact O-CG1 3.34Å; I166-I170 PolarHBondContact O-N 2.85Å; I166-L183 HydrophobicContact CG2-CD1 3.96Å; I166-L183 HydrophobicContact CG2-CD2 4.02Å; I166-I188 HydrophobicContact CD1-CD1 3.85Å; I166-I196 HydrophobicContact CB-CD1 4.35Å; I166-I196 HydrophobicContact CG1-CD1 3.42Å; I166-I196 VanDerWaalsContact CG1-CD1 3.42Å; I166-L240 HydrophobicContact CB-CD1 4.12Å; I166-L240 HydrophobicContact CG2-CD1 3.54Å; I166-L243 HydrophobicContact CD1-CD2 3.44Å; I166-L243 VanDerWaalsContact CD1-CD2 3.44Å
167	V	98.9	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-45.1	175.2	165.5	0	0	0	0	110.9	T163 S164 E171 W237 L240 V307 K308 F313 W318	T163-V167 HydrophobicContact CG2-CG2 4.3Å; T163-V167 WeakPolarHBondContact O-CB 3.21Å; T163-V167 WeakPolarHBondContact O-CG2 3.2Å; T163-V167 PolarHBondContact O-N 3.45Å; S164-V167 PolarHBondContact O-N 3.31Å; V167-E171 WeakPolarHBondContact O-CB 3.34Å; V167-E171 PolarHBondContact O-N 3.47Å; V167-W237 HydrophobicContact CG1-CH2 4.45Å; V167-W237 HydrophobicContact CG2-CZ3 4.24Å; V167-L240 HydrophobicContact CG2-CD2 3.8Å; V167-V307 HydrophobicContact CG1-CG1 4.38Å; V167-V307 HydrophobicContact CG2-CG1 3.79Å; V167-K308 HydrophobicContact CG1-CG 4.13Å; V167-F313 HydrophobicContact CG2-CZ 4.25Å; V167-W318 HydrophobicContact CB-CH2 3.85Å; V167-W318 HydrophobicContact CB-CZ3 3.89Å; V167-W318 HydrophobicContact CG1-CH2 3.69Å; V167-W318 HydrophobicContact CG1-CZ3 3.7Å; V167-W318 HydrophobicContact CG2-CH2 4.25Å
168	C	98.8	Very high	98.4	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.041	11%	0.106	C	C	.	.	H	α-helix	trans	-65.3	-39.5	174.8	-71.2	0	0	0	0	112.4	F118 S164 E165 I166 Y172 V321	F118-C168 HydrophobicContact CD2-CB 4.44Å; S164-C168 PolarHBondContact O-N 2.93Å; E165-C168 PolarHBondContact O-N 3.16Å; I166-C168 VanDerWaalsContact C-N 3.35Å; I166-C168 PolarHBondContact O-N 3.28Å; C168-Y172 WeakPolarHBondContact O-CB 3.19Å; C168-Y172 PolarHBondContact O-N 2.87Å; C168-V321 HydrophobicContact CB-CG1 4.2Å; C168-V321 VanDerWaalsContact SG-CG1 3.53Å
169	A	98.8	Very high	98.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-45.3	176.5	0	0	0	0	0	112.9	F118 L119 E165 I166 L173 L198	F118-A169 HydrophobicContact CB-CB 4.19Å; L119-A169 HydrophobicContact CD2-CB 3.8Å; E165-A169 PolarHBondContact O-N 3.11Å; I166-A169 PolarHBondContact O-N 3.16Å; A169-L173 WeakPolarHBondContact O-CG 3.02Å; A169-L173 PolarHBondContact O-N 3.01Å; A169-L173 VanDerWaalsContact O-N 3.15Å; A169-L198 HydrophobicContact CB-CD1 3.77Å; A169-L198 HydrophobicContact CB-CG 4.34Å
170	I	98.8	Very high	98.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-68.4	-43.9	177.3	-65.4	175.6	0	0	0	110.7	I166 Y172 L173 H174 L183 D236 W237 L240	I166-I170 HydrophobicContact CG2-CD1 3.68Å; I166-I170 HydrophobicContact CG2-CG1 4.04Å; I166-I170 WeakPolarHBondContact O-CG1 3.34Å; I166-I170 PolarHBondContact O-N 2.85Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 2.92Å; I170-L173 PolarHBondContact O-N 3.34Å; I170-H174 WeakPolarHBondContact CG2-CE1 3.22Å; I170-H174 WeakPolarHBondContact CG2-NE2 3.33Å; I170-H174 WeakPolarHBondContact O-CB 3.36Å; I170-H174 PolarHBondContact O-CD2 3.05Å; I170-H174 VanDerWaalsContact O-CG 3.28Å; I170-H174 PolarHBondContact O-N 2.66Å; I170-L183 HydrophobicContact CD1-CD2 4.14Å; I170-D236 HydrophobicContact CD1-CB 4.33Å; I170-D236 HydrophobicContact CG2-CB 4.03Å; I170-W237 HydrophobicContact CB-CH2 4.04Å; I170-W237 HydrophobicContact CB-CZ2 4.38Å; I170-W237 HydrophobicContact CB-CZ3 4.32Å; I170-W237 HydrophobicContact CD1-CZ3 4.45Å; I170-W237 HydrophobicContact CG2-CD2 4.21Å; I170-W237 HydrophobicContact CG2-CE3 4.3Å; I170-W237 HydrophobicContact CG2-CH2 3.71Å; I170-W237 HydrophobicContact CG2-CZ2 3.59Å; I170-W237 HydrophobicContact CG2-CZ3 4.06Å; I170-L240 HydrophobicContact CD1-CB 4.36Å; I170-L240 HydrophobicContact CD1-CD1 4.47Å; I170-L240 HydrophobicContact CD1-CD2 4.28Å
171	E	98.6	Very high	98.1	Very high	59 Å²	59	20.3 Å²	20.3	28%	0.276	10%	0.102	S	C	.	.	H	α-helix	trans	-57.3	-45.9	176	177.7	-179.7	-122.6	0	0	111.9	V167 H174 S175 A304 K308	V167-E171 WeakPolarHBondContact O-CB 3.34Å; V167-E171 PolarHBondContact O-N 3.47Å; E171-H174 PolarHBondContact O-N 2.64Å; E171-S175 PolarHBondContact O-N 3.36Å; E171-A304 HydrophobicContact CB-CB 3.9Å; E171-A304 HydrophobicContact CG-CB 3.81Å; E171-A304 WeakPolarHBondContact OE1-CB 3.34Å; E171-K308 WeakPolarHBondContact OE1-CE 3.19Å; E171-K308 IonicContact OE1-NZ 3.47Å; E171-K308 PolarHBondContact OE1-NZ 1.94Å; E171-K308 VanDerWaalsContact OE2-CE 3.3Å; E171-K308 WeakPolarHBondContact OE2-CE 3.48Å; E171-K308 IonicContact OE2-NZ 2.7Å; E171-K308 PolarHBondContact OE2-NZ 3.34Å
172	Y	98.6	Very high	98	Very high	44 Å²	44	19.7 Å²	19.7	17%	0.173	10%	0.099	C	C	.	.	H	α-helix	trans	-57.4	-51.4	174.6	177.6	-86.5	0	0	0	111.8	I114 S115 H116 L119 C168 I170 H174 S175 K176	I114-Y172 HydrophobicContact CB-CE1 3.99Å; I114-Y172 HydrophobicContact CG2-CE1 4.07Å; S115-Y172 PolarHBondContact N-OH 2.91Å; S115-Y172 WeakPolarHBondContact O-CE2 3.24Å; S115-Y172 VanDerWaalsContact O-CZ 3.23Å; S115-Y172 PolarHBondContact O-OH 3.49Å; H116-Y172 HydrophobicContact CB-CD1 3.89Å; H116-Y172 HydrophobicContact CB-CD2 4.01Å; H116-Y172 HydrophobicContact CB-CE1 4.02Å; H116-Y172 HydrophobicContact CB-CE2 4.1Å; H116-Y172 HydrophobicContact CB-CG 3.89Å; H116-Y172 AromaticContact CD2-CD2 3.52Å; H116-Y172 AromaticContact CD2-CG 3.66Å; H116-Y172 AromaticContact CG-CD2 3.98Å; H116-Y172 AromaticContact CG-CG 3.8Å; L119-Y172 HydrophobicContact CD1-CD1 3.84Å; L119-Y172 HydrophobicContact CD1-CE1 4.15Å; C168-Y172 WeakPolarHBondContact O-CB 3.19Å; C168-Y172 PolarHBondContact O-N 2.87Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 2.92Å; Y172-H174 VanDerWaalsContact C-N 3.33Å; Y172-H174 PolarHBondContact O-N 3.01Å; Y172-S175 WeakPolarHBondContact O-CB 3.31Å; Y172-S175 PolarHBondContact O-N 3.22Å; Y172-S175 PolarHBondContact O-OG 3.12Å; Y172-K176 HydrophobicContact CE1-CG 4.08Å; Y172-K176 PolarHBondContact O-N 3.48Å; Y172-K176 WeakPolarHBondContact OH-CE 3.48Å
173	L	98.5	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-41.8	178.9	-70.3	173.3	0	0	0	111.5	I114 L119 A169 I170 S175 K176 E177 I178 Y180 F201	I114-L173 HydrophobicContact CG2-CD2 3.74Å; L119-L173 HydrophobicContact CD1-CD1 4.5Å; L119-L173 HydrophobicContact CD1-CD2 3.84Å; L119-L173 HydrophobicContact CD1-CG 4.07Å; L119-L173 HydrophobicContact CD2-CD1 4.3Å; A169-L173 WeakPolarHBondContact O-CG 3.02Å; A169-L173 PolarHBondContact O-N 3.01Å; A169-L173 VanDerWaalsContact O-N 3.15Å; I170-L173 PolarHBondContact O-N 3.34Å; L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 PolarHBondContact O-N 2.83Å; L173-K176 CarbonylContact O-C 3.54Å; L173-K176 WeakPolarHBondContact O-CA 3.29Å; L173-K176 WeakPolarHBondContact O-CB 3.44Å; L173-K176 PolarHBondContact O-N 2.9Å; L173-E177 PolarHBondContact O-N 2.89Å; L173-I178 CarbonylContact C-O 3.41Å; L173-I178 VanDerWaalsContact C-O 3.24Å; L173-I178 HydrophobicContact CB-CB 4.37Å; L173-I178 HydrophobicContact CD2-CB 4.27Å; L173-I178 HydrophobicContact CD2-CD1 4.47Å; L173-I178 HydrophobicContact CD2-CG2 4.05Å; L173-I178 PolarHBondContact O-N 3.39Å; L173-I178 VanDerWaalsContact O-O 3.09Å; L173-Y180 HydrophobicContact CD1-CG 4.48Å; L173-F201 HydrophobicContact CD1-CE1 4.15Å; L173-F201 HydrophobicContact CD2-CE1 4.14Å
174	H	97.8	Very high	97.8	Very high	17 Å²	17	20.6 Å²	20.6	8%	0.079	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-28.4	178.4	-73.4	-167.7	0	0	0	112.7	I170 E171 Y172 K176 E177 I178 R233 D236 W237	I170-H174 WeakPolarHBondContact CG2-CE1 3.22Å; I170-H174 WeakPolarHBondContact CG2-NE2 3.33Å; I170-H174 WeakPolarHBondContact O-CB 3.36Å; I170-H174 PolarHBondContact O-CD2 3.05Å; I170-H174 VanDerWaalsContact O-CG 3.28Å; I170-H174 PolarHBondContact O-N 2.66Å; E171-H174 PolarHBondContact O-N 2.64Å; Y172-H174 VanDerWaalsContact C-N 3.33Å; Y172-H174 PolarHBondContact O-N 3.01Å; H174-K176 VanDerWaalsContact C-N 3.33Å; H174-E177 PolarHBondContact O-N 3.27Å; H174-I178 PolarHBondContact CD2-O 3.07Å; H174-R233 HydrophobicContact CB-CG 4.46Å; H174-R233 PolarHBondContact CE1-O 2.94Å; H174-R233 PolarHBondContact O-NH1 2.7Å; H174-D236 IonicContact CD2-OD2 3.23Å; H174-D236 IonicContact CE1-OD2 2.88Å; H174-D236 IonicContact NE2-OD2 3.43Å; H174-D236 PolarHBondContact NE2-OD2 3.2Å; H174-W237 AromaticContact CE1-CD1 3.81Å; H174-W237 AromaticContact CE1-CE2 3.83Å; H174-W237 AromaticContact CE1-NE1 3.27Å; H174-W237 PolarHBondContact CE1-NE1 3.41Å; H174-W237 VanDerWaalsContact CE1-NE1 3.27Å; H174-W237 AromaticContact ND1-CE2 3.79Å; H174-W237 AromaticContact ND1-CZ2 3.96Å; H174-W237 AromaticContact ND1-NE1 3.24Å; H174-W237 PolarHBondContact ND1-NE1 3.03Å
175	S	97	Very high	97.8	Very high	88 Å²	88	20.6 Å²	20.6	62%	0.615	10%	0.103	S	C	*	.	H	α-helix	trans	-69.5	-28.7	170.5	83.7	0	0	0	0	113.2	E171 Y172 L173 E177	E171-S175 PolarHBondContact O-N 3.36Å; Y172-S175 WeakPolarHBondContact O-CB 3.31Å; Y172-S175 PolarHBondContact O-N 3.22Å; Y172-S175 PolarHBondContact O-OG 3.12Å; L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 PolarHBondContact O-N 2.83Å; S175-E177 VanDerWaalsContact C-N 3.27Å
176	K	97	Very high	97.6	Very high	73 Å²	73	22.3 Å²	22.3	32%	0.317	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.3	173.9	-67.8	-76.9	-171.5	139.1	0	113.4	E113 Y172 L173 H174 I178	E113-K176 PolarHBondContact O-NZ 3.1Å; Y172-K176 HydrophobicContact CE1-CG 4.08Å; Y172-K176 PolarHBondContact O-N 3.48Å; Y172-K176 WeakPolarHBondContact OH-CE 3.48Å; L173-K176 CarbonylContact O-C 3.54Å; L173-K176 WeakPolarHBondContact O-CA 3.29Å; L173-K176 WeakPolarHBondContact O-CB 3.44Å; L173-K176 PolarHBondContact O-N 2.9Å; H174-K176 VanDerWaalsContact C-N 3.33Å; K176-I178 HydrophobicContact CB-CD1 3.73Å; K176-I178 HydrophobicContact CB-CG1 4.06Å; K176-I178 PolarHBondContact O-N 2.99Å
177	E	96.8	Very high	97.4	Very high	94 Å²	94	23 Å²	23	44%	0.439	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	15.7	-173.9	-41.8	-150.2	93.8	0	0	114.7	L173 H174 S175 L207 R233	L173-E177 PolarHBondContact O-N 2.89Å; H174-E177 PolarHBondContact O-N 3.27Å; S175-E177 VanDerWaalsContact C-N 3.27Å; E177-L207 PolarHBondContact O-N 3.34Å; E177-R233 IonicContact OE1-CZ 2.72Å; E177-R233 IonicContact OE1-NH1 3.65Å; E177-R233 IonicContact OE1-NH2 2.69Å; E177-R233 PolarHBondContact OE1-NH2 3.34Å
178	I	97.6	Very high	97.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.4	179.9	-60.3	164	0	0	0	109.1	V110 I114 L173 H174 K176 A204 K205 K206	V110-I178 HydrophobicContact CG1-CD1 4.22Å; V110-I178 HydrophobicContact CG1-CG2 3.91Å; V110-I178 HydrophobicContact CG2-CD1 4.48Å; V110-I178 HydrophobicContact CG2-CG2 4.2Å; I114-I178 HydrophobicContact CG2-CD1 3.69Å; L173-I178 CarbonylContact C-O 3.41Å; L173-I178 VanDerWaalsContact C-O 3.24Å; L173-I178 HydrophobicContact CB-CB 4.37Å; L173-I178 HydrophobicContact CD2-CB 4.27Å; L173-I178 HydrophobicContact CD2-CD1 4.47Å; L173-I178 HydrophobicContact CD2-CG2 4.05Å; L173-I178 PolarHBondContact O-N 3.39Å; L173-I178 VanDerWaalsContact O-O 3.09Å; H174-I178 PolarHBondContact CD2-O 3.07Å; K176-I178 HydrophobicContact CB-CD1 3.73Å; K176-I178 HydrophobicContact CB-CG1 4.06Å; K176-I178 PolarHBondContact O-N 2.99Å; I178-A204 HydrophobicContact CG2-CB 4.44Å; I178-K205 WeakPolarHBondContact CA-O 3.49Å; I178-K206 HydrophobicContact CG1-CB 4.16Å; I178-K206 HydrophobicContact CG1-CG 4.3Å
179	V	97	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147	165.8	-65.7	0	0	0	0	109.9	R181 A204 K205 L207 R233 D236	V179-R181 HydrophobicContact CB-CG 4.05Å; V179-R181 HydrophobicContact CG2-CG 3.72Å; V179-A204 CarbonylContact O-C 3.58Å; V179-A204 WeakPolarHBondContact O-CA 3.48Å; V179-K205 HydrophobicContact CG2-CB 4.43Å; V179-K205 WeakPolarHBondContact CG2-O 3.33Å; V179-K205 PolarHBondContact N-O 3.46Å; V179-K205 PolarHBondContact O-N 2.79Å; V179-L207 HydrophobicContact CB-CD1 4.3Å; V179-L207 HydrophobicContact CG1-CD1 3.5Å; V179-L207 HydrophobicContact CG1-CG 4.24Å; V179-L207 HydrophobicContact CG2-CD1 3.77Å; V179-L207 HydrophobicContact CG2-CD2 4.07Å; V179-L207 HydrophobicContact CG2-CG 3.88Å; V179-R233 HydrophobicContact CG1-CB 4.24Å; V179-R233 HydrophobicContact CG1-CG 3.71Å; V179-D236 WeakPolarHBondContact CA-OD2 3.38Å; V179-D236 WeakPolarHBondContact CB-OD2 3.13Å
180	Y	97.3	Very high	97.3	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	12%	0.118	C	C	.	.			trans	-96.8	-43.5	-170.1	179.1	-123.2	0	0	0	113	L173 D182 L183 N187 L198 T199 D200 F201 F203 A204 D236	L173-Y180 HydrophobicContact CD1-CG 4.48Å; Y180-D182 VanDerWaalsContact C-N 3.25Å; Y180-D182 PolarHBondContact O-N 2.67Å; Y180-D182 VanDerWaalsContact O-N 3.1Å; Y180-L183 HydrophobicContact CD1-CB 4.01Å; Y180-L183 HydrophobicContact CD1-CD1 4.47Å; Y180-L183 HydrophobicContact CE1-CB 4.04Å; Y180-L183 HydrophobicContact CE1-CD1 4.14Å; Y180-N187 WeakPolarHBondContact OH-CB 3.39Å; Y180-L198 HydrophobicContact CE1-CD1 4.39Å; Y180-T199 PolarHBondContact OH-O 3.18Å; Y180-D200 WeakPolarHBondContact CE2-O 3.49Å; Y180-F201 HydrophobicContact CD2-CD1 4.1Å; Y180-F201 AromaticContact CD2-CE1 3.94Å; Y180-F201 HydrophobicContact CD2-CE1 3.94Å; Y180-F201 HydrophobicContact CD2-CZ 4.27Å; Y180-F201 HydrophobicContact CE2-CD1 4.28Å; Y180-F201 HydrophobicContact CE2-CD2 4.28Å; Y180-F201 HydrophobicContact CE2-CE1 4.18Å; Y180-F201 HydrophobicContact CE2-CE2 4.17Å; Y180-F201 HydrophobicContact CE2-CG 4.34Å; Y180-F201 HydrophobicContact CE2-CZ 4.12Å; Y180-F203 CarbonylContact O-C 3.53Å; Y180-A204 HydrophobicContact CD2-CB 4.41Å; Y180-A204 PolarHBondContact O-N 3.39Å; Y180-D236 PolarHBondContact N-OD1 2.94Å; Y180-D236 PolarHBondContact N-OD2 2.65Å; Y180-D236 VanDerWaalsContact N-OD2 3.1Å
181	R	96.4	Very high	97.2	Very high	19 Å²	19	24.2 Å²	24.2	7%	0.072	12%	0.121	C	C	.	.			trans	65.6	-1.9	167.8	-50.9	-169.6	-65.8	152.2	7.4	118.5	V179 F203 C215 V235 D236	V179-R181 HydrophobicContact CB-CG 4.05Å; V179-R181 HydrophobicContact CG2-CG 3.72Å; R181-F203 HydrophobicContact CB-CB 4.42Å; R181-F203 PolarHBondContact NE-O 2.79Å; R181-F203 PolarHBondContact NH2-O 3.08Å; R181-C215 PolarHBondContact NH1-SG 3.31Å; R181-V235 HydrophobicContact CG-CG2 4.01Å; R181-D236 PolarHBondContact N-OD1 3.24Å
182	D	95.3	Very high	97	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.027	13%	0.128	C	C	.	.			trans	-136.8	49.5	171.5	-154.6	39.2	0	0	0	112.9	Y180 K184 N187 F203 G216 T217	Y180-D182 VanDerWaalsContact C-N 3.25Å; Y180-D182 PolarHBondContact O-N 2.67Å; Y180-D182 VanDerWaalsContact O-N 3.1Å; D182-K184 PolarHBondContact O-N 3.21Å; D182-K184 IonicContact OD1-NZ 2.7Å; D182-K184 WeakPolarHBondContact OD2-CE 3.21Å; D182-K184 IonicContact OD2-NZ 3.51Å; D182-K184 PolarHBondContact OD2-NZ 3.43Å; D182-N187 PolarHBondContact O-ND2 3.09Å; D182-N187 PolarHBondContact OD2-ND2 2.98Å; D182-F203 HydrophobicContact CB-CB 4.44Å; D182-F203 HydrophobicContact CB-CD2 3.93Å; D182-G216 WeakPolarHBondContact OD1-CA 3.44Å; D182-T217 PolarHBondContact OD1-N 3.1Å; D182-T217 VanDerWaalsContact OD1-N 3.08Å; D182-T217 PolarHBondContact OD1-OG1 3.45Å
183	L	98.2	Very high	97	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.144	C	C	.	.			trans	-73.2	114.5	172.5	-176.3	74.8	0	0	0	110.6	I166 I170 Y180 I188 L198 Y220 A239 L240 L243	I166-L183 HydrophobicContact CG2-CD1 3.96Å; I166-L183 HydrophobicContact CG2-CD2 4.02Å; I170-L183 HydrophobicContact CD1-CD2 4.14Å; Y180-L183 HydrophobicContact CD1-CB 4.01Å; Y180-L183 HydrophobicContact CD1-CD1 4.47Å; Y180-L183 HydrophobicContact CE1-CB 4.04Å; Y180-L183 HydrophobicContact CE1-CD1 4.14Å; L183-I188 HydrophobicContact CD1-CD1 4.02Å; L183-I188 HydrophobicContact CD1-CG1 4.36Å; L183-L198 HydrophobicContact CD1-CD2 4.11Å; L183-Y220 WeakPolarHBondContact O-CD1 3.49Å; L183-Y220 WeakPolarHBondContact O-CE1 3.49Å; L183-A239 HydrophobicContact CB-CB 4Å; L183-A239 HydrophobicContact CD2-CB 4.39Å; L183-L240 HydrophobicContact CD2-CB 4.11Å; L183-L240 HydrophobicContact CD2-CD1 3.95Å; L183-L243 HydrophobicContact CD1-CD2 4.26Å; L183-L243 HydrophobicContact CD2-CD2 4.01Å; L183-L243 HydrophobicContact CG-CD2 4.05Å
184	K	97	Very high	96.9	Very high	17 Å²	17	27.4 Å²	27.4	7%	0.074	14%	0.144	C	C	.	.	S	Bend	trans	-156.7	159.9	177.8	64.8	-167.8	-170.7	-151.7	0	110.4	D182 E186 N187 I188 T217 Y220	D182-K184 PolarHBondContact O-N 3.21Å; D182-K184 IonicContact OD1-NZ 2.7Å; D182-K184 WeakPolarHBondContact OD2-CE 3.21Å; D182-K184 IonicContact OD2-NZ 3.51Å; D182-K184 PolarHBondContact OD2-NZ 3.43Å; K184-E186 WeakPolarHBondContact CB-OE2 3.41Å; K184-E186 HydrophobicContact CG-CB 4.25Å; K184-E186 WeakPolarHBondContact CG-OE2 3.23Å; K184-E186 PolarHBondContact O-N 3.14Å; K184-E186 VanDerWaalsContact O-N 3.14Å; K184-N187 VanDerWaalsContact CE-OD1 3.23Å; K184-N187 WeakPolarHBondContact CE-OD1 3.32Å; K184-N187 HydrophobicContact CG-CB 4.21Å; K184-N187 PolarHBondContact O-N 2.93Å; K184-I188 WeakPolarHBondContact O-CD1 3.31Å; K184-I188 WeakPolarHBondContact O-CG1 3.33Å; K184-T217 HydrophobicContact CD-CG2 4.27Å; K184-T217 WeakPolarHBondContact CD-OG1 3.24Å; K184-T217 PolarHBondContact NZ-OG1 2.76Å; K184-Y220 HydrophobicContact CB-CD2 4.24Å; K184-Y220 HydrophobicContact CB-CE2 4.15Å
185	P	97.4	Very high	97	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57.9	-26.2	-175.9	-23.7	32.7	0	0	0	115.6	L144 F145 L148 Y220 L243	L144-P185 PolarHBondContact N-O 2.69Å; F145-P185 HydrophobicContact CB-CB 3.86Å; F145-P185 HydrophobicContact CD2-CB 4.19Å; F145-P185 PolarHBondContact N-O 2.56Å; L148-P185 HydrophobicContact CD2-CG 4.34Å; P185-Y220 WeakPolarHBondContact CD-OH 3.19Å; P185-L243 HydrophobicContact CG-CD1 3.64Å
186	E	94.5	Very high	97.1	Very high	40 Å²	40	22.6 Å²	22.6	19%	0.187	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-70.4	-41.1	179.1	-58.8	85.1	163.8	0	0	111.1	F145 K184 I188	F145-E186 HydrophobicContact CB-CG 4.08Å; F145-E186 VanDerWaalsContact CD2-CD 3.47Å; F145-E186 HydrophobicContact CD2-CG 3.78Å; F145-E186 VanDerWaalsContact CD2-OE1 3.24Å; F145-E186 WeakPolarHBondContact CD2-OE1 3.5Å; F145-E186 HydrophobicContact CE2-CG 4.33Å; F145-E186 WeakPolarHBondContact CE2-OE1 3.37Å; F145-E186 HydrophobicContact CG-CG 3.98Å; K184-E186 WeakPolarHBondContact CB-OE2 3.41Å; K184-E186 HydrophobicContact CG-CB 4.25Å; K184-E186 WeakPolarHBondContact CG-OE2 3.23Å; K184-E186 PolarHBondContact O-N 3.14Å; K184-E186 VanDerWaalsContact O-N 3.14Å; E186-I188 PolarHBondContact O-N 2.98Å
187	N	96.1	Very high	97.1	Very high	13 Å²	13	21.5 Å²	21.5	7%	0.07	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-82.2	11.1	-180	-63.4	-3.5	0	0	0	113.2	Y180 D182 K184 T199	Y180-N187 WeakPolarHBondContact OH-CB 3.39Å; D182-N187 PolarHBondContact O-ND2 3.09Å; D182-N187 PolarHBondContact OD2-ND2 2.98Å; K184-N187 VanDerWaalsContact CE-OD1 3.23Å; K184-N187 WeakPolarHBondContact CE-OD1 3.32Å; K184-N187 HydrophobicContact CG-CB 4.21Å; K184-N187 PolarHBondContact O-N 2.93Å; N187-T199 PolarHBondContact O-N 3.07Å
188	I	98.4	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	100.4	179.3	-57.2	165.5	0	0	0	107.8	L144 I166 L183 K184 E186 I196 L198 L243	L144-I188 HydrophobicContact CB-CB 4.03Å; L144-I188 HydrophobicContact CB-CG2 4.03Å; L144-I188 VanDerWaalsContact CB-O 3.27Å; L144-I188 WeakPolarHBondContact CB-O 3.47Å; L144-I188 HydrophobicContact CD2-CB 4.22Å; L144-I188 HydrophobicContact CD2-CD1 4.19Å; L144-I188 HydrophobicContact CD2-CG2 3.83Å; L144-I188 PolarHBondContact N-O 3.18Å; I166-I188 HydrophobicContact CD1-CD1 3.85Å; L183-I188 HydrophobicContact CD1-CD1 4.02Å; L183-I188 HydrophobicContact CD1-CG1 4.36Å; K184-I188 WeakPolarHBondContact O-CD1 3.31Å; K184-I188 WeakPolarHBondContact O-CG1 3.33Å; E186-I188 PolarHBondContact O-N 2.98Å; I188-I196 HydrophobicContact CG2-CB 3.88Å; I188-I196 HydrophobicContact CG2-CG2 3.7Å; I188-L198 HydrophobicContact CG1-CD2 3.71Å; I188-L198 HydrophobicContact CG2-CD2 4.46Å; I188-L243 HydrophobicContact CD1-CD1 4.31Å; I188-L243 HydrophobicContact CD1-CD2 3.56Å
189	L	97.2	Very high	97.1	Very high	21 Å²	21	18.3 Å²	18.3	11%	0.11	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	153.8	175.9	-55.9	-177.9	0	0	0	110.4	V139 G142 E143 I196 R197 T199	V139-L189 HydrophobicContact CB-CB 4.04Å; V139-L189 HydrophobicContact CB-CD1 3.91Å; V139-L189 HydrophobicContact CG1-CB 3.55Å; V139-L189 HydrophobicContact CG1-CD1 4.37Å; V139-L189 HydrophobicContact CG2-CD1 4.33Å; G142-L189 CarbonylContact O-C 3.45Å; G142-L189 WeakPolarHBondContact O-CA 3.38Å; E143-L189 HydrophobicContact CB-CD2 4.45Å; E143-L189 HydrophobicContact CG-CD2 3.84Å; L189-I196 CarbonylContact O-C 3.58Å; L189-I196 WeakPolarHBondContact O-CA 3.45Å; L189-R197 PolarHBondContact N-O 3.25Å; L189-R197 PolarHBondContact O-N 2.81Å; L189-T199 HydrophobicContact CD1-CG2 4.03Å; L189-T199 HydrophobicContact CD2-CG2 4.49Å; L189-T199 HydrophobicContact CG-CG2 3.9Å
190	L	98.1	Very high	96.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.6	168.9	-63.3	-172.3	0	0	0	110.7	V139 G141 G142 L144 Y147 Y162 I196 I330 P332	V139-L190 VanDerWaalsContact CG1-C 3.48Å; V139-L190 VanDerWaalsContact CG1-O 3.29Å; V139-L190 WeakPolarHBondContact CG1-O 3.34Å; G141-L190 CarbonylContact C-O 3.5Å; G141-L190 WeakPolarHBondContact CA-O 3.45Å; G141-L190 PolarHBondContact N-O 3.42Å; G142-L190 PolarHBondContact O-N 2.99Å; L144-L190 HydrophobicContact CD1-CD1 4.27Å; L144-L190 HydrophobicContact CD1-CD2 4.25Å; L144-L190 HydrophobicContact CD1-CG 4.42Å; Y147-L190 HydrophobicContact CD2-CD1 3.74Å; Y147-L190 HydrophobicContact CD2-CG 4.44Å; Y147-L190 HydrophobicContact CE2-CD1 3.78Å; Y147-L190 HydrophobicContact CE2-CG 4.36Å; Y147-L190 HydrophobicContact CG-CD1 4.34Å; Y162-L190 HydrophobicContact CD1-CD2 4.38Å; Y162-L190 HydrophobicContact CE1-CD2 3.59Å; L190-I196 HydrophobicContact CD2-CG2 4.06Å; L190-I330 HydrophobicContact CD1-CB 4.22Å; L190-I330 HydrophobicContact CD1-CG2 4.29Å; L190-P332 HydrophobicContact CB-CG 3.75Å; L190-P332 HydrophobicContact CD1-CG 4.29Å
191	D	95.9	Very high	96.5	Very high	13 Å²	13	20 Å²	20	7%	0.07	10%	0.102	C	C	.	.			trans	-78.5	176	171	67	31.9	0	0	0	112.6	V139 E193 G194 H195 R324 P332	V139-D191 HydrophobicContact CG1-CB 4.13Å; D191-E193 PolarHBondContact O-N 3.36Å; D191-E193 PolarHBondContact OD1-N 2.98Å; D191-E193 VanDerWaalsContact OD1-N 3.16Å; D191-G194 WeakPolarHBondContact O-CA 3.35Å; D191-G194 PolarHBondContact O-N 3.04Å; D191-G194 PolarHBondContact OD1-N 2.81Å; D191-G194 VanDerWaalsContact OD1-N 3.1Å; D191-H195 PolarHBondContact N-O 3.2Å; D191-H195 PolarHBondContact OD1-N 3.25Å; D191-H195 VanDerWaalsContact OD1-N 3.13Å; D191-R324 IonicContact OD1-NH2 3.74Å; D191-R324 PolarHBondContact OD1-NH2 3.23Å; D191-R324 IonicContact OD2-CZ 3.74Å; D191-R324 IonicContact OD2-NH1 2.78Å; D191-R324 PolarHBondContact OD2-NH1 3.26Å; D191-R324 IonicContact OD2-NH2 2.69Å; D191-R324 PolarHBondContact OD2-NH2 3.12Å; D191-P332 WeakPolarHBondContact O-CD 3.41Å; D191-P332 WeakPolarHBondContact O-CG 3.48Å
192	S	96.1	Very high	96.2	Very high	63 Å²	63	19.6 Å²	19.6	44%	0.441	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.7	-176.1	45.6	0	0	0	0	114.5
193	E	96.8	Very high	96	Very high	107 Å²	107	20.2 Å²	20.2	50%	0.5	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-27	173.2	-69.1	169.3	-164.6	0	0	111.5	D191 H195 R324 P328	D191-E193 PolarHBondContact O-N 3.36Å; D191-E193 PolarHBondContact OD1-N 2.98Å; D191-E193 VanDerWaalsContact OD1-N 3.16Å; E193-H195 IonicContact OE2-CD2 3.2Å; E193-R324 IonicContact OE2-CZ 2.72Å; E193-R324 IonicContact OE2-NE 3.75Å; E193-R324 PolarHBondContact OE2-NE 2.7Å; E193-R324 IonicContact OE2-NH2 2.6Å; E193-R324 PolarHBondContact OE2-NH2 2.6Å; E193-P328 WeakPolarHBondContact O-CG 3.23Å
194	G	98.1	Very high	95.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	107.6	9.7	179.5	0	0	0	0	0	115.2	Y162 D191 I330	Y162-G194 WeakPolarHBondContact CE1-O 3.36Å; Y162-G194 PolarHBondContact OH-O 3.15Å; D191-G194 WeakPolarHBondContact O-CA 3.35Å; D191-G194 PolarHBondContact O-N 3.04Å; D191-G194 PolarHBondContact OD1-N 2.81Å; D191-G194 VanDerWaalsContact OD1-N 3.1Å; G194-I330 VanDerWaalsContact CA-O 3.24Å; G194-I330 WeakPolarHBondContact CA-O 3.49Å
195	H	98.6	Very high	95.6	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.023	12%	0.115	C	C	.	.			trans	-82.1	154.6	172.4	-66.5	-82.2	0	0	0	110.5	F118 F161 E165 D191 E193 R324 L326 P328	F118-H195 HydrophobicContact CE1-CB 4.19Å; F161-H195 AromaticContact CZ-ND1 3.81Å; E165-H195 IonicContact OE1-CE1 2.66Å; E165-H195 IonicContact OE1-CG 2.66Å; E165-H195 IonicContact OE1-ND1 3.66Å; E165-H195 PolarHBondContact OE1-ND1 3.37Å; D191-H195 PolarHBondContact N-O 3.2Å; D191-H195 PolarHBondContact OD1-N 3.25Å; D191-H195 VanDerWaalsContact OD1-N 3.13Å; E193-H195 IonicContact OE2-CD2 3.2Å; H195-R324 PolarHBondContact CD2-NH2 3.3Å; H195-R324 VanDerWaalsContact CD2-NH2 3.32Å; H195-L326 PolarHBondContact CE1-O 3.42Å; H195-P328 WeakPolarHBondContact NE2-CG 3.46Å
196	I	98.6	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	155.6	-178.6	71.2	179.7	0	0	0	113.7	F118 Y162 E165 I166 I188 L189 L190 L198	F118-I196 WeakPolarHBondContact CA-O 3.37Å; F118-I196 HydrophobicContact CB-CD1 4.13Å; F118-I196 HydrophobicContact CB-CG1 3.77Å; F118-I196 HydrophobicContact CD1-CG1 3.89Å; F118-I196 HydrophobicContact CG-CD1 4.46Å; F118-I196 HydrophobicContact CG-CG1 3.99Å; Y162-I196 HydrophobicContact CD1-CG2 3.48Å; Y162-I196 VanDerWaalsContact CD1-CG2 3.48Å; Y162-I196 HydrophobicContact CE1-CG2 4Å; Y162-I196 HydrophobicContact CG-CG2 4.42Å; E165-I196 HydrophobicContact CB-CD1 3.58Å; E165-I196 HydrophobicContact CB-CG1 3.85Å; E165-I196 PolarHBondContact OE2-N 2.9Å; I166-I196 HydrophobicContact CB-CD1 4.35Å; I166-I196 HydrophobicContact CG1-CD1 3.42Å; I166-I196 VanDerWaalsContact CG1-CD1 3.42Å; I188-I196 HydrophobicContact CG2-CB 3.88Å; I188-I196 HydrophobicContact CG2-CG2 3.7Å; L189-I196 CarbonylContact O-C 3.58Å; L189-I196 WeakPolarHBondContact O-CA 3.45Å; L190-I196 HydrophobicContact CD2-CG2 4.06Å; I196-L198 HydrophobicContact CD1-CD2 4.24Å
197	R	98.2	Very high	95.2	Very high	49 Å²	49	25.6 Å²	25.6	19%	0.185	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	115.1	154.3	-64.3	-62.1	-173.9	114.6	12.8	109.5	P117 F118 L119 I120 D137 V139 L189 T199	P117-R197 PolarHBondContact O-NE 3.45Å; F118-R197 WeakPolarHBondContact O-CA 3.44Å; L119-R197 WeakPolarHBondContact O-CD 3.34Å; L119-R197 PolarHBondContact O-NH1 2.86Å; I120-R197 HydrophobicContact CD1-CB 4.49Å; D137-R197 IonicContact OD2-CZ 3.38Å; D137-R197 IonicContact OD2-NH1 3.89Å; D137-R197 PolarHBondContact OD2-NH1 3.43Å; V139-R197 HydrophobicContact CG1-CB 4.25Å; V139-R197 HydrophobicContact CG1-CG 4.13Å; V139-R197 HydrophobicContact CG2-CB 4.1Å; V139-R197 HydrophobicContact CG2-CG 3.97Å; L189-R197 PolarHBondContact N-O 3.25Å; L189-R197 PolarHBondContact O-N 2.81Å; R197-T199 PolarHBondContact O-N 3.13Å
198	L	98.4	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126	165.6	-56.9	-168.8	0	0	0	108.5	F118 L119 I120 A169 Y180 L183 I188 I196	F118-L198 PolarHBondContact O-N 2.86Å; L119-L198 HydrophobicContact CD2-CB 3.9Å; L119-L198 HydrophobicContact CD2-CD1 3.79Å; L119-L198 HydrophobicContact CD2-CG 3.99Å; I120-L198 WeakPolarHBondContact CB-O 3.24Å; I120-L198 PolarHBondContact N-O 3.29Å; A169-L198 HydrophobicContact CB-CD1 3.77Å; A169-L198 HydrophobicContact CB-CG 4.34Å; Y180-L198 HydrophobicContact CE1-CD1 4.39Å; L183-L198 HydrophobicContact CD1-CD2 4.11Å; I188-L198 HydrophobicContact CG1-CD2 3.71Å; I188-L198 HydrophobicContact CG2-CD2 4.46Å; I196-L198 HydrophobicContact CD1-CD2 4.24Å
199	T	94.8	Very high	94	Very high	29 Å²	29	35.9 Å²	35.9	18%	0.178	20%	0.195	C	C	.	.			trans	-116	-172	177.5	-166.6	0	0	0	0	110.7	Y180 N187 L189 R197	Y180-T199 PolarHBondContact OH-O 3.18Å; N187-T199 PolarHBondContact O-N 3.07Å; L189-T199 HydrophobicContact CD1-CG2 4.03Å; L189-T199 HydrophobicContact CD2-CG2 4.49Å; L189-T199 HydrophobicContact CG-CG2 3.9Å; R197-T199 PolarHBondContact O-N 3.13Å
200	D	89.6	Confident	93.6	Very high	37 Å²	37	40.7 Å²	40.7	20%	0.198	21%	0.212	C	C	.	.			trans	43.6	94.8	-179.1	-157.4	-22.4	0	0	0	115.1	F9 K88 Y180 G202	F9-D200 WeakPolarHBondContact CZ-OD2 3.5Å; K88-D200 IonicContact NZ-OD1 3.65Å; Y180-D200 WeakPolarHBondContact CE2-O 3.49Å; D200-G202 PolarHBondContact OD1-N 3.47Å
201	F	93.4	Very high	93.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.			trans	-100.5	16	-179.7	-78.4	-106	0	0	0	111.8	E107 V110 L111 I114 L119 I120 L173 Y180 F203 A204	E107-F201 HydrophobicContact CG-CB 3.92Å; E107-F201 PolarHBondContact OE1-N 2.96Å; E107-F201 VanDerWaalsContact OE1-N 3.16Å; V110-F201 HydrophobicContact CG1-CB 4.5Å; V110-F201 HydrophobicContact CG1-CD1 3.54Å; V110-F201 HydrophobicContact CG1-CE1 4.2Å; V110-F201 HydrophobicContact CG1-CG 4.39Å; L111-F201 HydrophobicContact CD2-CB 3.98Å; L111-F201 HydrophobicContact CD2-CD1 4.41Å; L111-F201 HydrophobicContact CD2-CD2 3.53Å; L111-F201 HydrophobicContact CD2-CE2 4.1Å; L111-F201 HydrophobicContact CD2-CG 3.71Å; L111-F201 HydrophobicContact CG-CB 4.04Å; L111-F201 HydrophobicContact CG-CG 4.3Å; I114-F201 HydrophobicContact CD1-CD1 4.14Å; I114-F201 HydrophobicContact CD1-CE1 3.6Å; I114-F201 HydrophobicContact CD1-CE2 4.4Å; I114-F201 HydrophobicContact CD1-CZ 3.74Å; L119-F201 HydrophobicContact CB-CZ 4.45Å; L119-F201 HydrophobicContact CD2-CZ 4.23Å; I120-F201 HydrophobicContact CG2-CD2 4.07Å; I120-F201 HydrophobicContact CG2-CE2 3.88Å; L173-F201 HydrophobicContact CD1-CE1 4.15Å; L173-F201 HydrophobicContact CD2-CE1 4.14Å; Y180-F201 HydrophobicContact CD2-CD1 4.1Å; Y180-F201 AromaticContact CD2-CE1 3.94Å; Y180-F201 HydrophobicContact CD2-CE1 3.94Å; Y180-F201 HydrophobicContact CD2-CZ 4.27Å; Y180-F201 HydrophobicContact CE2-CD1 4.28Å; Y180-F201 HydrophobicContact CE2-CD2 4.28Å; Y180-F201 HydrophobicContact CE2-CE1 4.18Å; Y180-F201 HydrophobicContact CE2-CE2 4.17Å; Y180-F201 HydrophobicContact CE2-CG 4.34Å; Y180-F201 HydrophobicContact CE2-CZ 4.12Å; F201-F203 PolarHBondContact O-N 2.6Å; F201-A204 HydrophobicContact CB-CB 3.91Å; F201-A204 HydrophobicContact CD1-CB 3.53Å; F201-A204 HydrophobicContact CE1-CB 4.48Å; F201-A204 HydrophobicContact CG-CB 4.13Å; F201-A204 VanDerWaalsContact O-CB 3.32Å; F201-A204 WeakPolarHBondContact O-CB 3.18Å; F201-A204 PolarHBondContact O-N 2.9Å
202	G	89.7	Confident	93	Very high	11 Å²	11	48 Å²	48	11%	0.113	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.2	-179.3	0	0	0	0	0	114.9	E107 D200	E107-G202 PolarHBondContact OE1-N 3.21Å; D200-G202 PolarHBondContact OD1-N 3.47Å
203	F	90.3	Very high	92.5	Very high	17 Å²	17	46.7 Å²	46.7	8%	0.075	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.7	171.2	-64.3	-22.9	0	0	0	114	F9 Y180 R181 D182 F201 C215 G216	F9-F203 HydrophobicContact CD1-CE1 4.42Å; F9-F203 HydrophobicContact CD1-CE2 4.24Å; F9-F203 AromaticContact CD1-CZ 3.72Å; F9-F203 HydrophobicContact CD1-CZ 3.72Å; F9-F203 HydrophobicContact CE1-CE1 4.13Å; F9-F203 AromaticContact CE1-CE2 3.91Å; F9-F203 HydrophobicContact CE1-CE2 3.91Å; F9-F203 AromaticContact CE1-CZ 3.63Å; F9-F203 HydrophobicContact CE1-CZ 3.63Å; Y180-F203 CarbonylContact O-C 3.53Å; R181-F203 HydrophobicContact CB-CB 4.42Å; R181-F203 PolarHBondContact NE-O 2.79Å; R181-F203 PolarHBondContact NH2-O 3.08Å; D182-F203 HydrophobicContact CB-CB 4.44Å; D182-F203 HydrophobicContact CB-CD2 3.93Å; F201-F203 PolarHBondContact O-N 2.6Å; F203-C215 HydrophobicContact CD1-CB 3.92Å; F203-C215 HydrophobicContact CD2-CB 4.02Å; F203-C215 HydrophobicContact CE1-CB 3.96Å; F203-C215 HydrophobicContact CE2-CB 4.08Å; F203-C215 HydrophobicContact CG-CB 3.97Å; F203-C215 HydrophobicContact CZ-CB 4.05Å; F203-G216 VanDerWaalsContact CE2-N 3.29Å
204	A	93.9	Very high	92.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	21%	0.208	C	C	.	.			trans	-68.1	149.6	175.6	0	0	0	0	0	111.3	V110 I178 V179 Y180 F201	V110-A204 HydrophobicContact CG1-CB 3.93Å; V110-A204 HydrophobicContact CG2-CB 4.49Å; I178-A204 HydrophobicContact CG2-CB 4.44Å; V179-A204 CarbonylContact O-C 3.58Å; V179-A204 WeakPolarHBondContact O-CA 3.48Å; Y180-A204 HydrophobicContact CD2-CB 4.41Å; Y180-A204 PolarHBondContact O-N 3.39Å; F201-A204 HydrophobicContact CB-CB 3.91Å; F201-A204 HydrophobicContact CD1-CB 3.53Å; F201-A204 HydrophobicContact CE1-CB 4.48Å; F201-A204 HydrophobicContact CG-CB 4.13Å; F201-A204 VanDerWaalsContact O-CB 3.32Å; F201-A204 WeakPolarHBondContact O-CB 3.18Å; F201-A204 PolarHBondContact O-N 2.9Å
205	K	92.8	Very high	91.6	Very high	60 Å²	60	42.6 Å²	42.6	26%	0.261	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	131.9	-177.5	-170.2	165.4	-176.1	168.7	0	113.1	I178 V179 L207 T211	I178-K205 WeakPolarHBondContact CA-O 3.49Å; V179-K205 HydrophobicContact CG2-CB 4.43Å; V179-K205 WeakPolarHBondContact CG2-O 3.33Å; V179-K205 PolarHBondContact N-O 3.46Å; V179-K205 PolarHBondContact O-N 2.79Å; K205-L207 HydrophobicContact CG-CD2 4.33Å; K205-T211 PolarHBondContact NZ-OG1 3.22Å
206	K	94.4	Very high	91.1	Very high	100 Å²	100	42.7 Å²	42.7	44%	0.435	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.6	166.8	-165.1	166.1	176.7	170.6	0	110.2	E113 I178	E113-K206 IonicContact OE1-NZ 1.94Å; E113-K206 PolarHBondContact OE1-NZ 3.24Å; E113-K206 IonicContact OE2-NZ 3.96Å; E113-K206 PolarHBondContact OE2-NZ 3.05Å; I178-K206 HydrophobicContact CG1-CB 4.16Å; I178-K206 HydrophobicContact CG1-CG 4.3Å
207	L	90.3	Very high	90.6	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	22%	0.218	C	C	.	.			trans	-109.5	132.3	-173.6	-61.2	-178.2	0	0	0	112.6	E177 V179 K205 T211	E177-L207 PolarHBondContact O-N 3.34Å; V179-L207 HydrophobicContact CB-CD1 4.3Å; V179-L207 HydrophobicContact CG1-CD1 3.5Å; V179-L207 HydrophobicContact CG1-CG 4.24Å; V179-L207 HydrophobicContact CG2-CD1 3.77Å; V179-L207 HydrophobicContact CG2-CD2 4.07Å; V179-L207 HydrophobicContact CG2-CG 3.88Å; K205-L207 HydrophobicContact CG-CD2 4.33Å; L207-T211 HydrophobicContact CD2-CG2 4.18Å
208	S	84.6	Confident	90.3	Very high	132 Å²	132	41.1 Å²	41.1	92%	0.923	21%	0.209	S	C	*	.	S	Bend	trans	-88.3	-27.3	165.9	49.2	0	0	0	0	113.7
209	D	84.9	Confident	90.2	Very high	97 Å²	97	42.6 Å²	42.6	52%	0.519	22%	0.217	S	C	.	.	S	Bend	trans	-153.2	-77.2	163.7	158.7	54.8	0	0	0	108.4
210	R	89.3	Confident	90.3	Very high	123 Å²	123	42 Å²	42	46%	0.464	21%	0.211	S	C	.	.			trans	-130.8	164.4	-174.3	-73.9	160	-154.1	-156.8	-1.2	111.5	W212 H231	R210-W212 HydrophobicContact CB-CE3 4.46Å; R210-W212 HydrophobicContact CB-CH2 3.71Å; R210-W212 HydrophobicContact CB-CZ2 4.32Å; R210-W212 HydrophobicContact CB-CZ3 3.8Å; R210-W212 WeakPolarHBondContact O-CZ3 3.46Å; R210-H231 CarbonylContact C-O 3.47Å; R210-H231 VanDerWaalsContact CA-O 3.29Å; R210-H231 WeakPolarHBondContact CA-O 3.43Å
211	T	89.8	Confident	90.6	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-131	160.2	164.7	-150.9	0	0	0	0	111.5	K205 L207 G230 H231	K205-T211 PolarHBondContact NZ-OG1 3.22Å; L207-T211 HydrophobicContact CD2-CG2 4.18Å; T211-G230 WeakPolarHBondContact O-CA 3.46Å; T211-H231 WeakPolarHBondContact CG2-NE2 3.38Å; T211-H231 PolarHBondContact N-O 3.48Å; T211-H231 PolarHBondContact O-CE1 3.25Å; T211-H231 PolarHBondContact O-N 3.41Å; T211-H231 PolarHBondContact O-ND1 2.86Å; T211-H231 VanDerWaalsContact O-ND1 3.12Å
212	W	90.9	Very high	90.8	Very high	155 Å²	155	40.7 Å²	40.7	59%	0.587	20%	0.204	S	C	*	.			trans	-122.6	-1.6	-174.8	-71.4	-104.4	0	0	0	112.4	R210 L214 G230	R210-W212 HydrophobicContact CB-CE3 4.46Å; R210-W212 HydrophobicContact CB-CH2 3.71Å; R210-W212 HydrophobicContact CB-CZ2 4.32Å; R210-W212 HydrophobicContact CB-CZ3 3.8Å; R210-W212 WeakPolarHBondContact O-CZ3 3.46Å; W212-L214 PolarHBondContact O-N 3.35Å; W212-G230 VanDerWaalsContact CE2-CA 3.45Å
213	T	85.9	Confident	91.2	Very high	36 Å²	36	40.2 Å²	40.2	22%	0.221	20%	0.199	C	C	.	.			trans	-63.3	116.1	177.8	-51	0	0	0	0	110	I12 C215 H231	I12-T213 HydrophobicContact CD1-CG2 4.1Å; T213-C215 HydrophobicContact CG2-CB 4.33Å; T213-C215 PolarHBondContact O-N 2.9Å; T213-H231 PolarHBondContact O-CE1 2.89Å
214	L	88	Confident	91.4	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	20%	0.197	C	C	.	.			trans	-76.1	104.8	172.9	175	56.6	0	0	0	108.6	L15 M19 W212 L221 V225	L15-L214 HydrophobicContact CB-CD2 3.87Å; L15-L214 HydrophobicContact CB-CG 4.33Å; L15-L214 HydrophobicContact CD2-CD1 4.03Å; L15-L214 HydrophobicContact CD2-CD2 4.05Å; L15-L214 HydrophobicContact CD2-CG 3.91Å; L15-L214 HydrophobicContact CG-CD2 4.01Å; L15-L214 HydrophobicContact CG-CG 4.41Å; M19-L214 HydrophobicContact CG-CD2 4.15Å; M19-L214 HydrophobicContact SD-CD2 4.33Å; W212-L214 PolarHBondContact O-N 3.35Å; L214-L221 HydrophobicContact CD1-CD1 4.27Å; L214-V225 HydrophobicContact CD1-CG1 3.8Å
215	C	86.7	Confident	91.5	Very high	11 Å²	11	40 Å²	40	7%	0.074	20%	0.199	C	C	.	.			trans	-155.2	167.7	-177.8	62.7	0	0	0	0	110.6	R181 F203 T213 L221	R181-C215 PolarHBondContact NH1-SG 3.31Å; F203-C215 HydrophobicContact CD1-CB 3.92Å; F203-C215 HydrophobicContact CD2-CB 4.02Å; F203-C215 HydrophobicContact CE1-CB 3.96Å; F203-C215 HydrophobicContact CE2-CB 4.08Å; F203-C215 HydrophobicContact CG-CB 3.97Å; F203-C215 HydrophobicContact CZ-CB 4.05Å; T213-C215 HydrophobicContact CG2-CB 4.33Å; T213-C215 PolarHBondContact O-N 2.9Å; C215-L221 VanDerWaalsContact O-CD2 3.22Å; C215-L221 WeakPolarHBondContact O-CD2 3.37Å
216	G	88	Confident	91.5	Very high	7 Å²	7	37.3 Å²	37.3	7%	0.072	19%	0.187	C	C	.	.	S	Bend	trans	101.6	169.3	-172.5	0	0	0	0	0	112.6	D182 F203	D182-G216 WeakPolarHBondContact OD1-CA 3.44Å; F203-G216 VanDerWaalsContact CE2-N 3.29Å
217	T	89.1	Confident	91.3	Very high	13 Å²	13	36.4 Å²	36.4	8%	0.08	18%	0.184	C	C	.	.			trans	-81.2	136.7	-174	-55.3	0	0	0	0	111.9	D182 K184 E219 Y220 L221	D182-T217 PolarHBondContact OD1-N 3.1Å; D182-T217 VanDerWaalsContact OD1-N 3.08Å; D182-T217 PolarHBondContact OD1-OG1 3.45Å; K184-T217 HydrophobicContact CD-CG2 4.27Å; K184-T217 WeakPolarHBondContact CD-OG1 3.24Å; K184-T217 PolarHBondContact NZ-OG1 2.76Å; T217-E219 PolarHBondContact O-N 3.38Å; T217-Y220 WeakPolarHBondContact O-CA 3.23Å; T217-Y220 WeakPolarHBondContact O-CB 3.24Å; T217-Y220 PolarHBondContact O-N 3.41Å; T217-L221 PolarHBondContact O-N 3.46Å
218	P	92.6	Very high	91.3	Very high	2 Å²	2	38 Å²	38	1%	0.013	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-51.7	-47.5	-166.2	-31.5	37.1	0	0	0	116.8	I10 Y220 L221 I262 Y263 I266	I10-P218 HydrophobicContact CD1-CG 3.43Å; I10-P218 VanDerWaalsContact CD1-CG 3.43Å; P218-Y220 PolarHBondContact O-N 3.18Å; P218-L221 PolarHBondContact O-N 2.86Å; P218-I262 HydrophobicContact CB-CD1 4.14Å; P218-Y263 HydrophobicContact CB-CE1 3.91Å; P218-I266 WeakPolarHBondContact O-CD1 3.19Å
219	E	94.9	Very high	91.5	Very high	32 Å²	32	37 Å²	37	15%	0.15	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-63.5	-23.5	-179.2	-65.3	81.7	173.6	0	0	112.2	T217 P252 I262	T217-E219 PolarHBondContact O-N 3.38Å; E219-P252 HydrophobicContact CB-CB 4.19Å; E219-P252 HydrophobicContact CB-CG 4.26Å; E219-P252 HydrophobicContact CG-CB 4.46Å; E219-P252 HydrophobicContact CG-CG 4Å; E219-I262 HydrophobicContact CG-CD1 4.11Å; E219-I262 HydrophobicContact CG-CG2 4.49Å
220	Y	97.6	Very high	91.6	Very high	16 Å²	16	32.8 Å²	32.8	6%	0.063	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-100.7	-8.3	-175.5	-77.2	-93.2	0	0	0	113.7	L183 K184 P185 T217 P218 A222 A239 I242 L243 E246	L183-Y220 WeakPolarHBondContact O-CD1 3.49Å; L183-Y220 WeakPolarHBondContact O-CE1 3.49Å; K184-Y220 HydrophobicContact CB-CD2 4.24Å; K184-Y220 HydrophobicContact CB-CE2 4.15Å; P185-Y220 WeakPolarHBondContact CD-OH 3.19Å; T217-Y220 WeakPolarHBondContact O-CA 3.23Å; T217-Y220 WeakPolarHBondContact O-CB 3.24Å; T217-Y220 PolarHBondContact O-N 3.41Å; P218-Y220 PolarHBondContact O-N 3.18Å; Y220-A222 PolarHBondContact O-N 2.98Å; Y220-A239 HydrophobicContact CD1-CB 4.12Å; Y220-I242 HydrophobicContact CD1-CB 3.64Å; Y220-I242 HydrophobicContact CD1-CG1 4.39Å; Y220-I242 HydrophobicContact CD1-CG2 3.5Å; Y220-I242 HydrophobicContact CD2-CG2 4.01Å; Y220-I242 HydrophobicContact CE1-CB 3.64Å; Y220-I242 HydrophobicContact CE1-CG2 3.35Å; Y220-I242 HydrophobicContact CE2-CG2 3.84Å; Y220-I242 HydrophobicContact CG-CB 4.34Å; Y220-I242 HydrophobicContact CG-CG2 3.84Å; Y220-I242 VanDerWaalsContact CZ-CG2 3.5Å; Y220-L243 HydrophobicContact CE1-CB 4Å; Y220-L243 HydrophobicContact CE1-CD1 4.49Å; Y220-E246 PolarHBondContact OH-OE2 3.25Å
221	L	96.6	Very high	91.6	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.133	C	C	.	.			trans	-66	133.9	-177.9	-63.9	-171.5	0	0	0	112.6	L15 L214 C215 T217 P218 V225 I226 W238 Y263	L15-L221 HydrophobicContact CD2-CD1 4.43Å; L214-L221 HydrophobicContact CD1-CD1 4.27Å; C215-L221 VanDerWaalsContact O-CD2 3.22Å; C215-L221 WeakPolarHBondContact O-CD2 3.37Å; T217-L221 PolarHBondContact O-N 3.46Å; P218-L221 PolarHBondContact O-N 2.86Å; L221-V225 HydrophobicContact CD2-CG1 4.37Å; L221-I226 HydrophobicContact CB-CD1 4.04Å; L221-I226 HydrophobicContact CB-CG1 3.89Å; L221-I226 HydrophobicContact CD1-CG1 4.1Å; L221-W238 PolarHBondContact O-NE1 3.22Å; L221-Y263 HydrophobicContact CD1-CE1 3.77Å
222	A	97.3	Very high	91.8	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.136	C	C	.	.			trans	-75.9	148.9	173.8	0	0	0	0	0	111.8	Y220 E224 V225 I226 V235 W238	Y220-A222 PolarHBondContact O-N 2.98Å; A222-E224 HydrophobicContact CB-CG 4.28Å; A222-E224 PolarHBondContact O-N 2.98Å; A222-E224 VanDerWaalsContact O-N 3.13Å; A222-V225 HydrophobicContact CB-CG2 4.15Å; A222-V225 WeakPolarHBondContact O-CB 3.45Å; A222-V225 PolarHBondContact O-N 3.06Å; A222-I226 PolarHBondContact O-N 2.92Å; A222-V235 HydrophobicContact CB-CB 4.1Å; A222-V235 HydrophobicContact CB-CG1 3.91Å; A222-W238 HydrophobicContact CB-CB 3.87Å; A222-W238 HydrophobicContact CB-CD2 4.23Å; A222-W238 HydrophobicContact CB-CG 3.7Å
223	P	96.9	Very high	92.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-53.4	-37.1	-178.8	-27.9	34.1	0	0	0	113.9	V225 Q227 W238 I266 L267 I291	P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 3.19Å; P223-Q227 WeakPolarHBondContact O-CB 3.38Å; P223-Q227 VanDerWaalsContact O-CG 3.25Å; P223-Q227 WeakPolarHBondContact O-CG 3.49Å; P223-Q227 PolarHBondContact O-N 3.3Å; P223-W238 HydrophobicContact CG-CE3 4.14Å; P223-W238 HydrophobicContact CG-CH2 3.52Å; P223-W238 HydrophobicContact CG-CZ2 3.97Å; P223-W238 HydrophobicContact CG-CZ3 3.6Å; P223-I266 HydrophobicContact CB-CG2 4.47Å; P223-I266 HydrophobicContact CG-CG2 3.88Å; P223-L267 HydrophobicContact CB-CD2 3.97Å; P223-I291 HydrophobicContact CB-CD1 4.23Å; P223-I291 HydrophobicContact CB-CG2 4.19Å; P223-I291 HydrophobicContact CG-CD1 3.54Å; P223-I291 HydrophobicContact CG-CG2 4.46Å
224	E	95.8	Very high	92.6	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-67.1	-29.8	176.4	58	-100.9	-122.1	0	0	114.1	A222 S228 K229 H231 V235 R293 R296	A222-E224 HydrophobicContact CB-CG 4.28Å; A222-E224 PolarHBondContact O-N 2.98Å; A222-E224 VanDerWaalsContact O-N 3.13Å; E224-S228 PolarHBondContact O-N 3.49Å; E224-K229 HydrophobicContact CB-CB 4.25Å; E224-K229 WeakPolarHBondContact O-CB 3.48Å; E224-K229 PolarHBondContact O-N 3.01Å; E224-H231 HydrophobicContact CG-CB 3.95Å; E224-V235 HydrophobicContact CG-CG1 4.18Å; E224-R293 VanDerWaalsContact OE1-CB 3.32Å; E224-R293 WeakPolarHBondContact OE1-CB 3.41Å; E224-R293 WeakPolarHBondContact OE1-CD 3.4Å; E224-R296 IonicContact OE1-CZ 2.78Å; E224-R296 IonicContact OE1-NH1 2.69Å; E224-R296 PolarHBondContact OE1-NH1 3.02Å; E224-R296 IonicContact OE1-NH2 3.46Å; E224-R296 IonicContact OE2-CZ 3.82Å; E224-R296 IonicContact OE2-NH1 2.68Å; E224-R296 PolarHBondContact OE2-NH1 3.13Å; E224-R296 IonicContact OE2-NH2 3.39Å; E224-R296 PolarHBondContact OE2-NH2 3.27Å
225	V	94.8	Very high	93.1	Very high	7 Å²	7	22 Å²	22	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-72.4	-49	178.5	-178	0	0	0	0	109.3	L214 L221 A222 P223 Q227 S228 H231 V235	L214-V225 HydrophobicContact CD1-CG1 3.8Å; L221-V225 HydrophobicContact CD2-CG1 4.37Å; A222-V225 HydrophobicContact CB-CG2 4.15Å; A222-V225 WeakPolarHBondContact O-CB 3.45Å; A222-V225 PolarHBondContact O-N 3.06Å; P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 3.19Å; V225-Q227 VanDerWaalsContact C-N 3.29Å; V225-Q227 PolarHBondContact O-N 2.85Å; V225-S228 WeakPolarHBondContact O-CA 3.34Å; V225-S228 PolarHBondContact O-N 2.91Å; V225-H231 HydrophobicContact CG2-CB 4.35Å; V225-V235 HydrophobicContact CG2-CB 4.42Å; V225-V235 HydrophobicContact CG2-CG1 3.66Å
226	I	92.7	Very high	93.7	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-57.4	-43	174	-62.1	165.2	0	0	0	110.4	M19 L221 A222 S228 Y263 I266 L267	M19-I226 HydrophobicContact CE-CG2 3.87Å; M19-I226 HydrophobicContact SD-CG2 4.07Å; L221-I226 HydrophobicContact CB-CD1 4.04Å; L221-I226 HydrophobicContact CB-CG1 3.89Å; L221-I226 HydrophobicContact CD1-CG1 4.1Å; A222-I226 PolarHBondContact O-N 2.92Å; I226-S228 PolarHBondContact O-N 3.3Å; I226-Y263 HydrophobicContact CD1-CD1 3.67Å; I226-Y263 HydrophobicContact CD1-CE1 4.49Å; I226-Y263 HydrophobicContact CD1-CG 4.21Å; I226-Y263 HydrophobicContact CG1-CD1 3.96Å; I226-Y263 HydrophobicContact CG1-CE1 4.49Å; I226-Y263 HydrophobicContact CG1-CG 4.37Å; I226-Y263 HydrophobicContact CG2-CG 4.17Å; I226-I266 HydrophobicContact CD1-CB 3.93Å; I226-I266 HydrophobicContact CD1-CD1 3.84Å; I226-I266 HydrophobicContact CD1-CG1 4.49Å; I226-I266 HydrophobicContact CD1-CG2 3.54Å; I226-L267 HydrophobicContact CB-CD2 4.39Å; I226-L267 HydrophobicContact CG2-CD1 3.95Å; I226-L267 HydrophobicContact CG2-CD2 4.24Å; I226-L267 HydrophobicContact CG2-CG 4.2Å
227	Q	91.3	Very high	94.2	Very high	81 Å²	81	21.3 Å²	21.3	38%	0.379	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	7.5	176.7	-70	176.8	-7.1	0	0	114.1	P223 V225 K229 L267	P223-Q227 WeakPolarHBondContact O-CB 3.38Å; P223-Q227 VanDerWaalsContact O-CG 3.25Å; P223-Q227 WeakPolarHBondContact O-CG 3.49Å; P223-Q227 PolarHBondContact O-N 3.3Å; V225-Q227 VanDerWaalsContact C-N 3.29Å; V225-Q227 PolarHBondContact O-N 2.85Å; Q227-K229 HydrophobicContact CB-CD 3.98Å; Q227-K229 HydrophobicContact CB-CG 4.04Å; Q227-K229 PolarHBondContact O-N 3.36Å; Q227-K229 VanDerWaalsContact O-N 3.1Å; Q227-K229 VanDerWaalsContact OE1-CE 3.27Å; Q227-L267 HydrophobicContact CG-CD2 3.86Å
228	S	90.1	Very high	94.6	Very high	45 Å²	45	20.7 Å²	20.7	32%	0.315	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	26.3	-177.8	-57.7	0	0	0	0	113.7	E224 V225 I226	E224-S228 PolarHBondContact O-N 3.49Å; V225-S228 WeakPolarHBondContact O-CA 3.34Å; V225-S228 PolarHBondContact O-N 2.91Å; I226-S228 PolarHBondContact O-N 3.3Å
229	K	87.6	Confident	94.9	Very high	112 Å²	112	20.9 Å²	20.9	49%	0.487	11%	0.105	S	C	.	.			trans	-84.3	142.3	179	-68.1	172.6	176.2	172.4	0	109.3	E224 Q227 H231	E224-K229 HydrophobicContact CB-CB 4.25Å; E224-K229 WeakPolarHBondContact O-CB 3.48Å; E224-K229 PolarHBondContact O-N 3.01Å; Q227-K229 HydrophobicContact CB-CD 3.98Å; Q227-K229 HydrophobicContact CB-CG 4.04Å; Q227-K229 PolarHBondContact O-N 3.36Å; Q227-K229 VanDerWaalsContact O-N 3.1Å; Q227-K229 VanDerWaalsContact OE1-CE 3.27Å; K229-H231 PolarHBondContact O-N 2.94Å; K229-H231 VanDerWaalsContact O-N 3.1Å; K229-H231 PolarHBondContact O-ND1 3.46Å
230	G	87.3	Confident	95.1	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	10%	0.098	C	C	.	.			trans	-55.2	118.1	174.7	0	0	0	0	0	110.4	T211 W212 R293	T211-G230 WeakPolarHBondContact O-CA 3.46Å; W212-G230 VanDerWaalsContact CE2-CA 3.45Å; G230-R293 VanDerWaalsContact O-CZ 3.3Å; G230-R293 PolarHBondContact O-NH1 3.02Å; G230-R293 PolarHBondContact O-NH2 2.92Å
231	H	90.8	Very high	95.2	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.014	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-123.8	169.2	-169.2	62.1	-98.1	0	0	0	112.1	R210 T211 T213 E224 V225 K229 V235	R210-H231 CarbonylContact C-O 3.47Å; R210-H231 VanDerWaalsContact CA-O 3.29Å; R210-H231 WeakPolarHBondContact CA-O 3.43Å; T211-H231 WeakPolarHBondContact CG2-NE2 3.38Å; T211-H231 PolarHBondContact N-O 3.48Å; T211-H231 PolarHBondContact O-CE1 3.25Å; T211-H231 PolarHBondContact O-N 3.41Å; T211-H231 PolarHBondContact O-ND1 2.86Å; T211-H231 VanDerWaalsContact O-ND1 3.12Å; T213-H231 PolarHBondContact O-CE1 2.89Å; E224-H231 HydrophobicContact CG-CB 3.95Å; V225-H231 HydrophobicContact CG2-CB 4.35Å; K229-H231 PolarHBondContact O-N 2.94Å; K229-H231 VanDerWaalsContact O-N 3.1Å; K229-H231 PolarHBondContact O-ND1 3.46Å; H231-V235 HydrophobicContact CB-CG1 3.9Å
232	G	93.6	Very high	95.3	Very high	11 Å²	11	18.3 Å²	18.3	11%	0.113	9%	0.093	C	C	.	.			trans	-166.9	-149.6	-177	0	0	0	0	0	111.1	A234 V235	G232-A234 PolarHBondContact O-N 2.86Å; G232-V235 WeakPolarHBondContact O-CG2 3.46Å; G232-V235 PolarHBondContact O-N 3.21Å
233	R	95.9	Very high	95.4	Very high	82 Å²	82	18.2 Å²	18.2	31%	0.309	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-31.4	-169.4	-63.4	176.5	-151.6	-179	15.5	115.7	H174 E177 V179 V235 D236	H174-R233 HydrophobicContact CB-CG 4.46Å; H174-R233 PolarHBondContact CE1-O 2.94Å; H174-R233 PolarHBondContact O-NH1 2.7Å; E177-R233 IonicContact OE1-CZ 2.72Å; E177-R233 IonicContact OE1-NH1 3.65Å; E177-R233 IonicContact OE1-NH2 2.69Å; E177-R233 PolarHBondContact OE1-NH2 3.34Å; V179-R233 HydrophobicContact CG1-CB 4.24Å; V179-R233 HydrophobicContact CG1-CG 3.71Å; R233-V235 PolarHBondContact O-N 3.15Å; R233-V235 VanDerWaalsContact O-N 3.1Å; R233-D236 PolarHBondContact O-N 3.32Å
234	A	97.4	Very high	95.4	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.033	9%	0.092	C	C	.	.	H	α-helix	trans	-53.8	-23.5	172.8	0	0	0	0	0	116.6	G232 W238 R293 R296 N299	G232-A234 PolarHBondContact O-N 2.86Å; A234-W238 PolarHBondContact O-N 2.95Å; A234-R293 HydrophobicContact CB-CB 4.04Å; A234-R296 WeakPolarHBondContact O-CD 3.25Å; A234-R296 PolarHBondContact O-NH1 2.89Å; A234-N299 HydrophobicContact CB-CB 3.99Å
235	V	98.1	Very high	95.6	Very high	10 Å²	10	17.8 Å²	17.8	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-76.8	-35.4	-175.9	-54.8	0	0	0	0	112.7	R181 A222 E224 V225 H231 G232 R233 W237 W238 A239	R181-V235 HydrophobicContact CG-CG2 4.01Å; A222-V235 HydrophobicContact CB-CB 4.1Å; A222-V235 HydrophobicContact CB-CG1 3.91Å; E224-V235 HydrophobicContact CG-CG1 4.18Å; V225-V235 HydrophobicContact CG2-CB 4.42Å; V225-V235 HydrophobicContact CG2-CG1 3.66Å; H231-V235 HydrophobicContact CB-CG1 3.9Å; G232-V235 WeakPolarHBondContact O-CG2 3.46Å; G232-V235 PolarHBondContact O-N 3.21Å; R233-V235 PolarHBondContact O-N 3.15Å; R233-V235 VanDerWaalsContact O-N 3.1Å; V235-W237 VanDerWaalsContact C-N 3.29Å; V235-W237 PolarHBondContact O-N 3.15Å; V235-W238 WeakPolarHBondContact O-CB 3.43Å; V235-W238 PolarHBondContact O-N 2.97Å; V235-W238 VanDerWaalsContact O-N 3.1Å; V235-A239 PolarHBondContact O-N 2.68Å
236	D	98.6	Very high	95.8	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-36	178.2	-58.5	-37.1	0	0	0	110.5	I170 H174 V179 Y180 R181 R233 W238 A239 L240	I170-D236 HydrophobicContact CD1-CB 4.33Å; I170-D236 HydrophobicContact CG2-CB 4.03Å; H174-D236 IonicContact CD2-OD2 3.23Å; H174-D236 IonicContact CE1-OD2 2.88Å; H174-D236 IonicContact NE2-OD2 3.43Å; H174-D236 PolarHBondContact NE2-OD2 3.2Å; V179-D236 WeakPolarHBondContact CA-OD2 3.38Å; V179-D236 WeakPolarHBondContact CB-OD2 3.13Å; Y180-D236 PolarHBondContact N-OD1 2.94Å; Y180-D236 PolarHBondContact N-OD2 2.65Å; Y180-D236 VanDerWaalsContact N-OD2 3.1Å; R181-D236 PolarHBondContact N-OD1 3.24Å; R233-D236 PolarHBondContact O-N 3.32Å; D236-W238 VanDerWaalsContact C-N 3.35Å; D236-A239 PolarHBondContact O-N 3.19Å; D236-L240 WeakPolarHBondContact O-CB 3.42Å; D236-L240 PolarHBondContact O-N 2.81Å
237	W	98.8	Very high	96.1	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-69.6	-27.8	172.8	-60.2	118.6	0	0	0	113.6	V167 I170 H174 V235 L240 G241 F288 L297 G298 A304 V307	V167-W237 HydrophobicContact CG1-CH2 4.45Å; V167-W237 HydrophobicContact CG2-CZ3 4.24Å; I170-W237 HydrophobicContact CB-CH2 4.04Å; I170-W237 HydrophobicContact CB-CZ2 4.38Å; I170-W237 HydrophobicContact CB-CZ3 4.32Å; I170-W237 HydrophobicContact CD1-CZ3 4.45Å; I170-W237 HydrophobicContact CG2-CD2 4.21Å; I170-W237 HydrophobicContact CG2-CE3 4.3Å; I170-W237 HydrophobicContact CG2-CH2 3.71Å; I170-W237 HydrophobicContact CG2-CZ2 3.59Å; I170-W237 HydrophobicContact CG2-CZ3 4.06Å; H174-W237 AromaticContact CE1-CD1 3.81Å; H174-W237 AromaticContact CE1-CE2 3.83Å; H174-W237 AromaticContact CE1-NE1 3.27Å; H174-W237 PolarHBondContact CE1-NE1 3.41Å; H174-W237 VanDerWaalsContact CE1-NE1 3.27Å; H174-W237 AromaticContact ND1-CE2 3.79Å; H174-W237 AromaticContact ND1-CZ2 3.96Å; H174-W237 AromaticContact ND1-NE1 3.24Å; H174-W237 PolarHBondContact ND1-NE1 3.03Å; V235-W237 VanDerWaalsContact C-N 3.29Å; V235-W237 PolarHBondContact O-N 3.15Å; W237-L240 HydrophobicContact CE3-CD2 3.76Å; W237-L240 HydrophobicContact CZ3-CD2 3.76Å; W237-G241 PolarHBondContact O-N 2.67Å; W237-F288 HydrophobicContact CB-CD1 4.17Å; W237-F288 HydrophobicContact CB-CE1 4.34Å; W237-F288 AromaticContact CE3-CE1 3.91Å; W237-F288 HydrophobicContact CE3-CE1 3.91Å; W237-F288 WeakPolarHBondContact O-CB 3.45Å; W237-F288 WeakPolarHBondContact O-CD1 3.4Å; W237-F288 WeakPolarHBondContact O-CG 3.31Å; W237-L297 WeakPolarHBondContact CB-O 3.39Å; W237-G298 PolarHBondContact NE1-O 3.34Å; W237-G298 VanDerWaalsContact NE1-O 3.08Å; W237-A304 HydrophobicContact CH2-CB 3.91Å; W237-A304 HydrophobicContact CZ2-CB 3.89Å; W237-V307 HydrophobicContact CE3-CG2 4.05Å; W237-V307 HydrophobicContact CH2-CG2 4.37Å; W237-V307 HydrophobicContact CZ3-CG2 3.96Å
238	W	98.8	Very high	96.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69.4	-50.6	169.4	171.9	-82.3	0	0	0	110.3	L221 A222 P223 A234 V235 D236 L240 G241 I242 F254 I266 L289 I291	L221-W238 PolarHBondContact O-NE1 3.22Å; A222-W238 HydrophobicContact CB-CB 3.87Å; A222-W238 HydrophobicContact CB-CD2 4.23Å; A222-W238 HydrophobicContact CB-CG 3.7Å; P223-W238 HydrophobicContact CG-CE3 4.14Å; P223-W238 HydrophobicContact CG-CH2 3.52Å; P223-W238 HydrophobicContact CG-CZ2 3.97Å; P223-W238 HydrophobicContact CG-CZ3 3.6Å; A234-W238 PolarHBondContact O-N 2.95Å; V235-W238 WeakPolarHBondContact O-CB 3.43Å; V235-W238 PolarHBondContact O-N 2.97Å; V235-W238 VanDerWaalsContact O-N 3.1Å; D236-W238 VanDerWaalsContact C-N 3.35Å; W238-L240 PolarHBondContact O-N 2.67Å; W238-G241 WeakPolarHBondContact O-CA 3.41Å; W238-G241 PolarHBondContact O-N 2.85Å; W238-I242 HydrophobicContact CZ2-CD1 4.34Å; W238-I242 PolarHBondContact O-N 3.3Å; W238-I242 VanDerWaalsContact O-N 3.11Å; W238-F254 HydrophobicContact CH2-CE2 4.09Å; W238-F254 HydrophobicContact CH2-CZ 4.38Å; W238-F254 HydrophobicContact CZ2-CD2 4.39Å; W238-F254 AromaticContact CZ2-CE2 3.62Å; W238-F254 HydrophobicContact CZ2-CE2 3.62Å; W238-F254 HydrophobicContact CZ2-CZ 4.34Å; W238-I266 HydrophobicContact CH2-CG2 4.32Å; W238-I266 HydrophobicContact CZ2-CG2 3.77Å; W238-L289 HydrophobicContact CD2-CD2 3.62Å; W238-L289 HydrophobicContact CE3-CB 4.43Å; W238-L289 HydrophobicContact CE3-CD2 3.88Å; W238-L289 HydrophobicContact CG-CD2 4.06Å; W238-L289 HydrophobicContact CH2-CB 4.27Å; W238-L289 HydrophobicContact CH2-CD2 4.28Å; W238-L289 HydrophobicContact CZ2-CD2 4.04Å; W238-L289 VanDerWaalsContact CZ3-C 3.42Å; W238-L289 VanDerWaalsContact CZ3-CA 3.48Å; W238-L289 HydrophobicContact CZ3-CB 4.09Å; W238-L289 HydrophobicContact CZ3-CD2 4.21Å; W238-L289 WeakPolarHBondContact O-CD2 3.27Å; W238-I291 HydrophobicContact CH2-CD1 4.06Å; W238-I291 HydrophobicContact CZ3-CD1 4.22Å
239	A	98.8	Very high	96.8	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	6%	0.062	C	C	.	.	H	α-helix	trans	-58	-35.7	178	0	0	0	0	0	112.1	L183 Y220 V235 D236 G241 I242 L243	L183-A239 HydrophobicContact CB-CB 4Å; L183-A239 HydrophobicContact CD2-CB 4.39Å; Y220-A239 HydrophobicContact CD1-CB 4.12Å; V235-A239 PolarHBondContact O-N 2.68Å; D236-A239 PolarHBondContact O-N 3.19Å; A239-G241 VanDerWaalsContact C-N 3.32Å; A239-G241 PolarHBondContact O-N 3.47Å; A239-I242 WeakPolarHBondContact O-CB 3.44Å; A239-I242 PolarHBondContact O-N 2.73Å; A239-L243 WeakPolarHBondContact O-CB 3.46Å; A239-L243 PolarHBondContact O-N 3.14Å
240	L	98.9	Very high	97.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62	-38.2	171.9	-169.5	62.4	0	0	0	112.4	T163 I166 V167 I170 L183 D236 W237 W238 L243 V244 F288	T163-L240 HydrophobicContact CG2-CD1 3.97Å; T163-L240 HydrophobicContact CG2-CD2 4.25Å; T163-L240 HydrophobicContact CG2-CG 4.23Å; I166-L240 HydrophobicContact CB-CD1 4.12Å; I166-L240 HydrophobicContact CG2-CD1 3.54Å; V167-L240 HydrophobicContact CG2-CD2 3.8Å; I170-L240 HydrophobicContact CD1-CB 4.36Å; I170-L240 HydrophobicContact CD1-CD1 4.47Å; I170-L240 HydrophobicContact CD1-CD2 4.28Å; L183-L240 HydrophobicContact CD2-CB 4.11Å; L183-L240 HydrophobicContact CD2-CD1 3.95Å; D236-L240 WeakPolarHBondContact O-CB 3.42Å; D236-L240 PolarHBondContact O-N 2.81Å; W237-L240 HydrophobicContact CE3-CD2 3.76Å; W237-L240 HydrophobicContact CZ3-CD2 3.76Å; W238-L240 PolarHBondContact O-N 2.67Å; L240-L243 PolarHBondContact O-N 3Å; L240-V244 HydrophobicContact CG-CG2 4.42Å; L240-V244 WeakPolarHBondContact O-CB 3.33Å; L240-V244 WeakPolarHBondContact O-CG2 3.33Å; L240-V244 PolarHBondContact O-N 3.27Å; L240-F288 HydrophobicContact CD2-CE1 4.24Å; L240-F288 HydrophobicContact CD2-CE2 4.26Å; L240-F288 HydrophobicContact CD2-CZ 3.71Å; L240-F288 HydrophobicContact CG-CE2 4.35Å; L240-F288 HydrophobicContact CG-CZ 4.25Å
241	G	98.8	Very high	97.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.3	-36.9	173.4	0	0	0	0	0	113.7	W237 W238 A239 F245	W237-G241 PolarHBondContact O-N 2.67Å; W238-G241 WeakPolarHBondContact O-CA 3.41Å; W238-G241 PolarHBondContact O-N 2.85Å; A239-G241 VanDerWaalsContact C-N 3.32Å; A239-G241 PolarHBondContact O-N 3.47Å; G241-F245 PolarHBondContact O-N 3.25Å
242	I	98.8	Very high	98.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.5	-49	172.6	-56.1	-63.3	0	0	0	109.4	Y220 W238 A239 V244 F245 E246 P252 P253 F254 L289	Y220-I242 HydrophobicContact CD1-CB 3.64Å; Y220-I242 HydrophobicContact CD1-CG1 4.39Å; Y220-I242 HydrophobicContact CD1-CG2 3.5Å; Y220-I242 HydrophobicContact CD2-CG2 4.01Å; Y220-I242 HydrophobicContact CE1-CB 3.64Å; Y220-I242 HydrophobicContact CE1-CG2 3.35Å; Y220-I242 HydrophobicContact CE2-CG2 3.84Å; Y220-I242 HydrophobicContact CG-CB 4.34Å; Y220-I242 HydrophobicContact CG-CG2 3.84Å; Y220-I242 VanDerWaalsContact CZ-CG2 3.5Å; W238-I242 HydrophobicContact CZ2-CD1 4.34Å; W238-I242 PolarHBondContact O-N 3.3Å; W238-I242 VanDerWaalsContact O-N 3.11Å; A239-I242 WeakPolarHBondContact O-CB 3.44Å; A239-I242 PolarHBondContact O-N 2.73Å; I242-V244 PolarHBondContact O-N 3.35Å; I242-F245 WeakPolarHBondContact O-CB 3.19Å; I242-F245 PolarHBondContact O-N 3.12Å; I242-E246 PolarHBondContact O-N 3.03Å; I242-P252 HydrophobicContact CG2-CB 4.36Å; I242-P253 HydrophobicContact CD1-CG 3.59Å; I242-P253 HydrophobicContact CG2-CG 4.42Å; I242-F254 HydrophobicContact CD1-CD2 3.75Å; I242-F254 HydrophobicContact CD1-CE2 3.83Å; I242-L289 HydrophobicContact CD1-CD1 3.87Å; I242-L289 HydrophobicContact CD1-CD2 3.56Å; I242-L289 HydrophobicContact CD1-CG 4.39Å; I242-L289 HydrophobicContact CG1-CD2 3.9Å
243	L	98.9	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.8	-42.8	-178.9	-172.6	63.9	0	0	0	112.8	I166 L183 P185 I188 Y220 A239 L240 F245 E246 M247	I166-L243 HydrophobicContact CD1-CD2 3.44Å; I166-L243 VanDerWaalsContact CD1-CD2 3.44Å; L183-L243 HydrophobicContact CD1-CD2 4.26Å; L183-L243 HydrophobicContact CD2-CD2 4.01Å; L183-L243 HydrophobicContact CG-CD2 4.05Å; P185-L243 HydrophobicContact CG-CD1 3.64Å; I188-L243 HydrophobicContact CD1-CD1 4.31Å; I188-L243 HydrophobicContact CD1-CD2 3.56Å; Y220-L243 HydrophobicContact CE1-CB 4Å; Y220-L243 HydrophobicContact CE1-CD1 4.49Å; A239-L243 WeakPolarHBondContact O-CB 3.46Å; A239-L243 PolarHBondContact O-N 3.14Å; L240-L243 PolarHBondContact O-N 3Å; L243-F245 VanDerWaalsContact C-N 3.31Å; L243-F245 PolarHBondContact O-N 3.32Å; L243-E246 PolarHBondContact O-N 3.14Å; L243-M247 HydrophobicContact CD1-CG 4.29Å; L243-M247 HydrophobicContact CG-CE 4.16Å; L243-M247 HydrophobicContact CG-CG 4.37Å; L243-M247 WeakPolarHBondContact O-CB 3.19Å; L243-M247 WeakPolarHBondContact O-CG 3.4Å; L243-M247 PolarHBondContact O-N 3.49Å
244	V	98.9	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.6	-37.8	176.9	172.4	0	0	0	0	111.1	T163 L240 I242 L248 L284 I285 W312	T163-V244 HydrophobicContact CG2-CG2 3.54Å; T163-V244 WeakPolarHBondContact OG1-CG2 2.91Å; L240-V244 HydrophobicContact CG-CG2 4.42Å; L240-V244 WeakPolarHBondContact O-CB 3.33Å; L240-V244 WeakPolarHBondContact O-CG2 3.33Å; L240-V244 PolarHBondContact O-N 3.27Å; I242-V244 PolarHBondContact O-N 3.35Å; V244-L248 HydrophobicContact CG1-CD1 4.27Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; V244-L284 HydrophobicContact CG1-CD2 4.47Å; V244-I285 HydrophobicContact CB-CG1 4.32Å; V244-I285 HydrophobicContact CG1-CD1 4.11Å; V244-I285 HydrophobicContact CG1-CG1 3.85Å; V244-W312 HydrophobicContact CG1-CH2 4.09Å; V244-W312 HydrophobicContact CG1-CZ3 4.33Å
245	F	98.9	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.3	-52.8	171.8	-174.2	-76.2	0	0	0	110.4	G241 I242 L243 M247 L248 A249 Y251 P253 E272 F273 L277 I285	G241-F245 PolarHBondContact O-N 3.25Å; I242-F245 WeakPolarHBondContact O-CB 3.19Å; I242-F245 PolarHBondContact O-N 3.12Å; L243-F245 VanDerWaalsContact C-N 3.31Å; L243-F245 PolarHBondContact O-N 3.32Å; F245-M247 PolarHBondContact O-N 3.25Å; F245-L248 PolarHBondContact O-N 3.32Å; F245-L248 VanDerWaalsContact O-N 3.13Å; F245-A249 HydrophobicContact CD1-CB 3.74Å; F245-A249 HydrophobicContact CE1-CB 3.51Å; F245-A249 HydrophobicContact CZ-CB 4.18Å; F245-A249 WeakPolarHBondContact O-CB 3.34Å; F245-A249 PolarHBondContact O-N 2.97Å; F245-Y251 VanDerWaalsContact CD1-O 3.27Å; F245-Y251 WeakPolarHBondContact CD1-O 3.32Å; F245-Y251 HydrophobicContact CE1-CD2 4.26Å; F245-Y251 AromaticContact CE1-CE2 3.93Å; F245-Y251 HydrophobicContact CE1-CE2 3.93Å; F245-Y251 WeakPolarHBondContact CE1-O 3.21Å; F245-Y251 HydrophobicContact CZ-CE2 4.27Å; F245-P253 HydrophobicContact CB-CB 4.41Å; F245-P253 HydrophobicContact CB-CG 4.15Å; F245-P253 HydrophobicContact CD1-CB 3.75Å; F245-P253 HydrophobicContact CD1-CG 4.09Å; F245-P253 HydrophobicContact CD2-CB 3.87Å; F245-P253 HydrophobicContact CE1-CB 3.88Å; F245-P253 HydrophobicContact CE2-CB 3.97Å; F245-P253 HydrophobicContact CG-CB 3.76Å; F245-P253 HydrophobicContact CG-CG 4.02Å; F245-P253 HydrophobicContact CZ-CB 3.98Å; F245-E272 WeakPolarHBondContact CZ-O 3.4Å; F245-F273 AromaticContact CD2-CD1 3.96Å; F245-F273 HydrophobicContact CD2-CD1 3.96Å; F245-F273 AromaticContact CD2-CE1 3.95Å; F245-F273 HydrophobicContact CD2-CE1 3.95Å; F245-F273 AromaticContact CE2-CD1 3.74Å; F245-F273 HydrophobicContact CE2-CD1 3.74Å; F245-F273 HydrophobicContact CE2-CE1 4.1Å; F245-F273 HydrophobicContact CE2-CG 4.38Å; F245-L277 HydrophobicContact CD2-CD1 4.49Å; F245-L277 HydrophobicContact CE2-CD1 4.47Å; F245-I285 HydrophobicContact CB-CD1 3.92Å; F245-I285 HydrophobicContact CB-CG2 4.36Å; F245-I285 HydrophobicContact CD2-CD1 4.12Å; F245-I285 HydrophobicContact CD2-CG2 4.34Å; F245-I285 HydrophobicContact CG-CD1 4.46Å
246	E	98.7	Very high	97.9	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.028	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-45.1	-174.4	-179.8	161.4	-157.1	0	0	112.6	L148 R149 Y220 I242 L243 L248 A249 G250 Y251 P252	L148-E246 HydrophobicContact CD2-CG 3.96Å; R149-E246 IonicContact CZ-OE1 2.61Å; R149-E246 IonicContact NH1-OE1 2.77Å; R149-E246 PolarHBondContact NH1-OE1 3.03Å; R149-E246 IonicContact NH2-OE1 3.31Å; R149-E246 PolarHBondContact NH2-OE1 2.72Å; Y220-E246 PolarHBondContact OH-OE2 3.25Å; I242-E246 PolarHBondContact O-N 3.03Å; L243-E246 PolarHBondContact O-N 3.14Å; E246-L248 PolarHBondContact O-N 3.18Å; E246-A249 PolarHBondContact O-N 2.97Å; E246-G250 WeakPolarHBondContact O-CA 3.32Å; E246-G250 PolarHBondContact O-N 3.32Å; E246-Y251 WeakPolarHBondContact CA-O 3.36Å; E246-P252 WeakPolarHBondContact OE1-CD 3.46Å
247	M	98.8	Very high	97.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-54.6	-38.5	175.1	-78.1	-165.3	-63.4	0	0	112.6	L144 L148 F154 T163 L243 F245	L144-M247 HydrophobicContact CD2-SD 4.28Å; L148-M247 HydrophobicContact CD2-CG 4.45Å; F154-M247 WeakPolarHBondContact CB-O 3.24Å; F154-M247 HydrophobicContact CD2-CB 3.87Å; F154-M247 HydrophobicContact CD2-CG 3.79Å; F154-M247 HydrophobicContact CD2-SD 3.88Å; F154-M247 HydrophobicContact CE2-CG 4.03Å; F154-M247 HydrophobicContact CE2-SD 4.03Å; F154-M247 PolarHBondContact N-O 2.96Å; T163-M247 WeakPolarHBondContact OG1-CE 3.45Å; L243-M247 HydrophobicContact CD1-CG 4.29Å; L243-M247 HydrophobicContact CG-CE 4.16Å; L243-M247 HydrophobicContact CG-CG 4.37Å; L243-M247 WeakPolarHBondContact O-CB 3.19Å; L243-M247 WeakPolarHBondContact O-CG 3.4Å; L243-M247 PolarHBondContact O-N 3.49Å; F245-M247 PolarHBondContact O-N 3.25Å
248	L	98.8	Very high	97	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-97.8	-19.5	-172.4	-61.4	177.1	0	0	0	113.9	S155 V244 F245 E246 H276 L277 V281 W312	S155-L248 VanDerWaalsContact O-CD2 3.31Å; S155-L248 WeakPolarHBondContact O-CD2 3.38Å; V244-L248 HydrophobicContact CG1-CD1 4.27Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; F245-L248 PolarHBondContact O-N 3.32Å; F245-L248 VanDerWaalsContact O-N 3.13Å; E246-L248 PolarHBondContact O-N 3.18Å; L248-H276 PolarHBondContact O-NE2 3.44Å; L248-L277 HydrophobicContact CB-CD2 3.46Å; L248-L277 VanDerWaalsContact CB-CD2 3.46Å; L248-L277 WeakPolarHBondContact O-CD2 3.32Å; L248-V281 HydrophobicContact CD1-CB 4.42Å; L248-V281 HydrophobicContact CD1-CG1 3.64Å; L248-V281 HydrophobicContact CD1-CG2 3.8Å; L248-W312 HydrophobicContact CD1-CZ2 3.92Å
249	A	98.4	Very high	96.5	Very high	10 Å²	10	29.6 Å²	29.6	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-95.2	-36	175.9	0	0	0	0	0	112.8	F245 E246 Y251 P274	F245-A249 HydrophobicContact CD1-CB 3.74Å; F245-A249 HydrophobicContact CE1-CB 3.51Å; F245-A249 HydrophobicContact CZ-CB 4.18Å; F245-A249 WeakPolarHBondContact O-CB 3.34Å; F245-A249 PolarHBondContact O-N 2.97Å; E246-A249 PolarHBondContact O-N 2.97Å; A249-Y251 HydrophobicContact CB-CD1 4.04Å; A249-Y251 HydrophobicContact CB-CE1 3.88Å; A249-P274 HydrophobicContact CB-CG 3.93Å
250	G	97.8	Very high	96.1	Very high	13 Å²	13	32.9 Å²	32.9	13%	0.134	17%	0.169	C	C	.	.	S	Bend	trans	97.5	-3.3	-172.3	0	0	0	0	0	114.8	R149 G152 E246	R149-G250 PolarHBondContact NH1-O 3.42Å; G152-G250 WeakPolarHBondContact O-CA 3.48Å; E246-G250 WeakPolarHBondContact O-CA 3.32Å; E246-G250 PolarHBondContact O-N 3.32Å
251	Y	97.1	Very high	95.9	Very high	92 Å²	92	33.1 Å²	33.1	36%	0.361	17%	0.171	S	C	.	.	S	Bend	trans	-153.6	151.8	-177.3	63.4	-84.6	0	0	0	109.6	F245 E246 A249 F255 P274	F245-Y251 VanDerWaalsContact CD1-O 3.27Å; F245-Y251 WeakPolarHBondContact CD1-O 3.32Å; F245-Y251 HydrophobicContact CE1-CD2 4.26Å; F245-Y251 AromaticContact CE1-CE2 3.93Å; F245-Y251 HydrophobicContact CE1-CE2 3.93Å; F245-Y251 WeakPolarHBondContact CE1-O 3.21Å; F245-Y251 HydrophobicContact CZ-CE2 4.27Å; E246-Y251 WeakPolarHBondContact CA-O 3.36Å; A249-Y251 HydrophobicContact CB-CD1 4.04Å; A249-Y251 HydrophobicContact CB-CE1 3.88Å; Y251-F255 HydrophobicContact CD2-CD1 4.13Å; Y251-F255 AromaticContact CD2-CE1 3.85Å; Y251-F255 HydrophobicContact CD2-CE1 3.85Å; Y251-F255 HydrophobicContact CE2-CE1 4.05Å; Y251-P274 HydrophobicContact CE1-CG 4.27Å; Y251-P274 WeakPolarHBondContact OH-CG 3.49Å
252	P	97.3	Very high	95.7	Very high	15 Å²	15	33.3 Å²	33.3	10%	0.097	17%	0.172	C	C	.	.			trans	-71	153.8	-179.3	28.1	-31.7	0	0	0	112	E219 I242 E246 F254 F255	E219-P252 HydrophobicContact CB-CB 4.19Å; E219-P252 HydrophobicContact CB-CG 4.26Å; E219-P252 HydrophobicContact CG-CB 4.46Å; E219-P252 HydrophobicContact CG-CG 4Å; I242-P252 HydrophobicContact CG2-CB 4.36Å; E246-P252 WeakPolarHBondContact OE1-CD 3.46Å; P252-F254 PolarHBondContact O-N 2.97Å; P252-F255 HydrophobicContact CG-CB 4.35Å
253	P	97.7	Very high	95.4	Very high	17 Å²	17	33.7 Å²	33.7	11%	0.11	17%	0.174	C	C	.	.	S	Bend	trans	-68.6	-20.1	-176.8	27.4	-33	0	0	0	113.5	I242 F245 L271 L289	I242-P253 HydrophobicContact CD1-CG 3.59Å; I242-P253 HydrophobicContact CG2-CG 4.42Å; F245-P253 HydrophobicContact CB-CB 4.41Å; F245-P253 HydrophobicContact CB-CG 4.15Å; F245-P253 HydrophobicContact CD1-CB 3.75Å; F245-P253 HydrophobicContact CD1-CG 4.09Å; F245-P253 HydrophobicContact CD2-CB 3.87Å; F245-P253 HydrophobicContact CE1-CB 3.88Å; F245-P253 HydrophobicContact CE2-CB 3.97Å; F245-P253 HydrophobicContact CG-CB 3.76Å; F245-P253 HydrophobicContact CG-CG 4.02Å; F245-P253 HydrophobicContact CZ-CB 3.98Å; P253-L271 HydrophobicContact CB-CD2 3.95Å; P253-L289 HydrophobicContact CG-CD1 3.95Å
254	F	97.1	Very high	95.3	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.018	20%	0.2	C	C	.	.	S	Bend	trans	-127.9	113.5	176.6	-49.2	-66.8	0	0	0	108.5	W238 I242 P252 I262 K265 I266 L271 L289	W238-F254 HydrophobicContact CH2-CE2 4.09Å; W238-F254 HydrophobicContact CH2-CZ 4.38Å; W238-F254 HydrophobicContact CZ2-CD2 4.39Å; W238-F254 AromaticContact CZ2-CE2 3.62Å; W238-F254 HydrophobicContact CZ2-CE2 3.62Å; W238-F254 HydrophobicContact CZ2-CZ 4.34Å; I242-F254 HydrophobicContact CD1-CD2 3.75Å; I242-F254 HydrophobicContact CD1-CE2 3.83Å; P252-F254 PolarHBondContact O-N 2.97Å; F254-I262 HydrophobicContact CB-CG2 4.33Å; F254-K265 HydrophobicContact CB-CB 4.31Å; F254-K265 HydrophobicContact CD1-CB 4.01Å; F254-I266 HydrophobicContact CB-CD1 4.49Å; F254-I266 HydrophobicContact CB-CG1 3.78Å; F254-I266 HydrophobicContact CD1-CG1 4.42Å; F254-I266 HydrophobicContact CD2-CB 4.45Å; F254-I266 HydrophobicContact CD2-CD1 4.5Å; F254-I266 HydrophobicContact CD2-CG1 3.48Å; F254-I266 VanDerWaalsContact CD2-CG1 3.48Å; F254-I266 HydrophobicContact CE2-CG1 4.12Å; F254-I266 HydrophobicContact CG-CG1 3.64Å; F254-L271 HydrophobicContact CE1-CD2 3.9Å; F254-L271 HydrophobicContact CE2-CD2 4.05Å; F254-L271 HydrophobicContact CZ-CD2 3.41Å; F254-L271 VanDerWaalsContact CZ-CD2 3.41Å; F254-L271 HydrophobicContact CZ-CG 4.3Å; F254-L289 HydrophobicContact CE2-CD1 4.36Å
255	F	92.9	Very high	95.1	Very high	115 Å²	115	43.1 Å²	43.1	50%	0.504	22%	0.217	S	C	.	.			trans	-143.9	152.8	176.6	67.5	-86.3	0	0	0	109.7	Y251 P252 K265	Y251-F255 HydrophobicContact CD2-CD1 4.13Å; Y251-F255 AromaticContact CD2-CE1 3.85Å; Y251-F255 HydrophobicContact CD2-CE1 3.85Å; Y251-F255 HydrophobicContact CE2-CE1 4.05Å; P252-F255 HydrophobicContact CG-CB 4.35Å; F255-K265 WeakPolarHBondContact O-CD 3.35Å; F255-K265 PolarHBondContact O-NZ 3.27Å
256	D	93.1	Very high	95	Very high	52 Å²	52	43.1 Å²	43.1	28%	0.278	22%	0.217	S	C	.	.			trans	-161.9	165.9	179.1	-155.4	-80.3	0	0	0	108.8	N258 I262 K265	D256-N258 PolarHBondContact O-N 3.44Å; D256-N258 PolarHBondContact OD1-N 3.36Å; D256-N258 PolarHBondContact OD1-ND2 3.2Å; D256-I262 HydrophobicContact CB-CG1 3.7Å; D256-K265 HydrophobicContact CB-CD 4.5Å; D256-K265 WeakPolarHBondContact OD2-CE 3.42Å; D256-K265 IonicContact OD2-NZ 2.7Å; D256-K265 PolarHBondContact OD2-NZ 3.11Å
257	D	90.3	Very high	94.8	Very high	173 Å²	173	45.7 Å²	45.7	93%	0.925	23%	0.23	S	C	*	.	S	Bend	trans	-73.7	-11.2	178.2	-61.9	-40.7	0	0	0	112.4
258	N	89.5	Confident	94.7	Very high	74 Å²	74	49.2 Å²	49.2	40%	0.396	26%	0.255	S	S	.	.	S	Bend	trans	-140.1	145.4	177.9	69	93.3	0	0	0	111.9	D256 F260 G261 I262	D256-N258 PolarHBondContact O-N 3.44Å; D256-N258 PolarHBondContact OD1-N 3.36Å; D256-N258 PolarHBondContact OD1-ND2 3.2Å; N258-F260 PolarHBondContact O-N 2.89Å; N258-F260 VanDerWaalsContact O-N 3.14Å; N258-F260 WeakPolarHBondContact OD1-CB 3.21Å; N258-F260 PolarHBondContact OD1-N 2.89Å; N258-G261 PolarHBondContact O-N 3.36Å; N258-G261 VanDerWaalsContact O-N 3.12Å; N258-G261 PolarHBondContact OD1-N 3.38Å; N258-I262 PolarHBondContact O-N 3.26Å
259	P	88.4	Confident	94.4	Very high	38 Å²	38	50.1 Å²	50.1	25%	0.247	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-31.9	-177.5	-27.3	35.4	0	0	0	114.7	G261 I262 Y263	P259-G261 PolarHBondContact O-N 2.97Å; P259-I262 WeakPolarHBondContact O-CB 3.19Å; P259-I262 PolarHBondContact O-N 3.1Å; P259-Y263 HydrophobicContact CB-CE2 3.93Å; P259-Y263 WeakPolarHBondContact O-CD1 3.49Å; P259-Y263 VanDerWaalsContact O-CD2 3.24Å; P259-Y263 WeakPolarHBondContact O-CD2 3.48Å; P259-Y263 PolarHBondContact O-N 2.78Å
260	F	90.3	Very high	94.2	Very high	75 Å²	75	56.3 Å²	56.3	33%	0.329	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-38.4	179.3	-173.6	-95.4	0	0	0	112.4	L22 N258 Y263 Q264	L22-F260 HydrophobicContact CD1-CE2 3.74Å; L22-F260 HydrophobicContact CD1-CZ 4.39Å; L22-F260 HydrophobicContact CG-CE2 4.25Å; N258-F260 PolarHBondContact O-N 2.89Å; N258-F260 VanDerWaalsContact O-N 3.14Å; N258-F260 WeakPolarHBondContact OD1-CB 3.21Å; N258-F260 PolarHBondContact OD1-N 2.89Å; F260-Y263 PolarHBondContact O-N 3.2Å; F260-Q264 HydrophobicContact CD1-CG 4.31Å; F260-Q264 HydrophobicContact CE1-CG 4.13Å; F260-Q264 VanDerWaalsContact CE1-NE2 3.29Å; F260-Q264 WeakPolarHBondContact O-CG 3.47Å; F260-Q264 PolarHBondContact O-N 2.76Å
261	G	93.7	Very high	94	Very high	5 Å²	5	57.3 Å²	57.3	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-37.9	171.3	0	0	0	0	0	112.9	N258 P259 Q264 K265	N258-G261 PolarHBondContact O-N 3.36Å; N258-G261 VanDerWaalsContact O-N 3.12Å; N258-G261 PolarHBondContact OD1-N 3.38Å; P259-G261 PolarHBondContact O-N 2.97Å; G261-Q264 PolarHBondContact O-N 3.42Å; G261-K265 WeakPolarHBondContact O-CB 3.39Å; G261-K265 WeakPolarHBondContact O-CG 3.3Å; G261-K265 PolarHBondContact O-N 2.8Å
262	I	94.2	Very high	94	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-46.4	171.9	-54.6	177.3	0	0	0	109.9	P218 E219 F254 D256 N258 P259 K265 I266	P218-I262 HydrophobicContact CB-CD1 4.14Å; E219-I262 HydrophobicContact CG-CD1 4.11Å; E219-I262 HydrophobicContact CG-CG2 4.49Å; F254-I262 HydrophobicContact CB-CG2 4.33Å; D256-I262 HydrophobicContact CB-CG1 3.7Å; N258-I262 PolarHBondContact O-N 3.26Å; P259-I262 WeakPolarHBondContact O-CB 3.19Å; P259-I262 PolarHBondContact O-N 3.1Å; I262-K265 WeakPolarHBondContact O-CB 3.4Å; I262-K265 PolarHBondContact O-N 2.46Å; I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.46Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 3.42Å
263	Y	94	Very high	94	Very high	7 Å²	7	60.2 Å²	60.2	3%	0.027	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-41.7	178.5	-56.1	-25.9	0	0	0	112.7	L15 P218 L221 I226 P259 F260 K265 I266 L267	L15-Y263 HydrophobicContact CD1-CE2 4Å; L15-Y263 WeakPolarHBondContact CD1-OH 3.39Å; L15-Y263 WeakPolarHBondContact CD2-OH 3.47Å; L15-Y263 HydrophobicContact CG-CE2 4.43Å; P218-Y263 HydrophobicContact CB-CE1 3.91Å; L221-Y263 HydrophobicContact CD1-CE1 3.77Å; I226-Y263 HydrophobicContact CD1-CD1 3.67Å; I226-Y263 HydrophobicContact CD1-CE1 4.49Å; I226-Y263 HydrophobicContact CD1-CG 4.21Å; I226-Y263 HydrophobicContact CG1-CD1 3.96Å; I226-Y263 HydrophobicContact CG1-CE1 4.49Å; I226-Y263 HydrophobicContact CG1-CG 4.37Å; I226-Y263 HydrophobicContact CG2-CG 4.17Å; P259-Y263 HydrophobicContact CB-CE2 3.93Å; P259-Y263 WeakPolarHBondContact O-CD1 3.49Å; P259-Y263 VanDerWaalsContact O-CD2 3.24Å; P259-Y263 WeakPolarHBondContact O-CD2 3.48Å; P259-Y263 PolarHBondContact O-N 2.78Å; F260-Y263 PolarHBondContact O-N 3.2Å; Y263-K265 VanDerWaalsContact C-N 3.31Å; Y263-K265 PolarHBondContact O-N 2.88Å; Y263-I266 HydrophobicContact CD1-CD1 4.5Å; Y263-I266 PolarHBondContact O-N 3.1Å; Y263-L267 WeakPolarHBondContact O-CB 3.33Å; Y263-L267 VanDerWaalsContact O-CG 3.22Å; Y263-L267 WeakPolarHBondContact O-CG 3.37Å; Y263-L267 PolarHBondContact O-N 2.78Å
264	Q	95	Very high	94	Very high	118 Å²	118	60.2 Å²	60.2	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-59.3	-42.2	173.1	-73.2	-175.5	-28.5	0	0	112	F260 G261 S268	F260-Q264 HydrophobicContact CD1-CG 4.31Å; F260-Q264 HydrophobicContact CE1-CG 4.13Å; F260-Q264 VanDerWaalsContact CE1-NE2 3.29Å; F260-Q264 WeakPolarHBondContact O-CG 3.47Å; F260-Q264 PolarHBondContact O-N 2.76Å; G261-Q264 PolarHBondContact O-N 3.42Å; Q264-S268 PolarHBondContact O-N 2.82Å
265	K	96.3	Very high	94	Very high	81 Å²	81	71.9 Å²	71.9	35%	0.352	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-48.2	176.6	-75.1	165.1	171.7	165.7	0	111.9	F254 F255 D256 G261 I262 Y263 L267 S268 G269	F254-K265 HydrophobicContact CB-CB 4.31Å; F254-K265 HydrophobicContact CD1-CB 4.01Å; F255-K265 WeakPolarHBondContact O-CD 3.35Å; F255-K265 PolarHBondContact O-NZ 3.27Å; D256-K265 HydrophobicContact CB-CD 4.5Å; D256-K265 WeakPolarHBondContact OD2-CE 3.42Å; D256-K265 IonicContact OD2-NZ 2.7Å; D256-K265 PolarHBondContact OD2-NZ 3.11Å; G261-K265 WeakPolarHBondContact O-CB 3.39Å; G261-K265 WeakPolarHBondContact O-CG 3.3Å; G261-K265 PolarHBondContact O-N 2.8Å; I262-K265 WeakPolarHBondContact O-CB 3.4Å; I262-K265 PolarHBondContact O-N 2.46Å; Y263-K265 VanDerWaalsContact C-N 3.31Å; Y263-K265 PolarHBondContact O-N 2.88Å; K265-L267 PolarHBondContact O-N 3.27Å; K265-S268 WeakPolarHBondContact O-CB 3.45Å; K265-S268 PolarHBondContact O-N 2.88Å; K265-S268 PolarHBondContact O-OG 2.88Å; K265-G269 PolarHBondContact O-N 3.26Å
266	I	96.4	Very high	94.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-56.6	-49.4	175	-71.9	164.7	0	0	0	111.2	P218 P223 I226 W238 F254 I262 Y263 S268 G269 I291	P218-I266 WeakPolarHBondContact O-CD1 3.19Å; P223-I266 HydrophobicContact CB-CG2 4.47Å; P223-I266 HydrophobicContact CG-CG2 3.88Å; I226-I266 HydrophobicContact CD1-CB 3.93Å; I226-I266 HydrophobicContact CD1-CD1 3.84Å; I226-I266 HydrophobicContact CD1-CG1 4.49Å; I226-I266 HydrophobicContact CD1-CG2 3.54Å; W238-I266 HydrophobicContact CH2-CG2 4.32Å; W238-I266 HydrophobicContact CZ2-CG2 3.77Å; F254-I266 HydrophobicContact CB-CD1 4.49Å; F254-I266 HydrophobicContact CB-CG1 3.78Å; F254-I266 HydrophobicContact CD1-CG1 4.42Å; F254-I266 HydrophobicContact CD2-CB 4.45Å; F254-I266 HydrophobicContact CD2-CD1 4.5Å; F254-I266 HydrophobicContact CD2-CG1 3.48Å; F254-I266 VanDerWaalsContact CD2-CG1 3.48Å; F254-I266 HydrophobicContact CE2-CG1 4.12Å; F254-I266 HydrophobicContact CG-CG1 3.64Å; I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.46Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 3.42Å; Y263-I266 HydrophobicContact CD1-CD1 4.5Å; Y263-I266 PolarHBondContact O-N 3.1Å; I266-S268 PolarHBondContact O-N 2.86Å; I266-G269 PolarHBondContact O-N 3.02Å; I266-G269 VanDerWaalsContact O-N 3.1Å; I266-I291 WeakPolarHBondContact O-CD1 3.35Å
267	L	94.9	Very high	94.4	Very high	59 Å²	59	68.8 Å²	68.8	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-67.9	-22.2	-178.5	-66.2	-177.2	0	0	0	113.5	P223 I226 Q227 Y263 K265	P223-L267 HydrophobicContact CB-CD2 3.97Å; I226-L267 HydrophobicContact CB-CD2 4.39Å; I226-L267 HydrophobicContact CG2-CD1 3.95Å; I226-L267 HydrophobicContact CG2-CD2 4.24Å; I226-L267 HydrophobicContact CG2-CG 4.2Å; Q227-L267 HydrophobicContact CG-CD2 3.86Å; Y263-L267 WeakPolarHBondContact O-CB 3.33Å; Y263-L267 VanDerWaalsContact O-CG 3.22Å; Y263-L267 WeakPolarHBondContact O-CG 3.37Å; Y263-L267 PolarHBondContact O-N 2.78Å; K265-L267 PolarHBondContact O-N 3.27Å
268	S	95.3	Very high	94.7	Very high	75 Å²	75	63.9 Å²	63.9	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-73.4	-24.8	172.3	82	0	0	0	0	113.7	Q264 K265 I266 K270	Q264-S268 PolarHBondContact O-N 2.82Å; K265-S268 WeakPolarHBondContact O-CB 3.45Å; K265-S268 PolarHBondContact O-N 2.88Å; K265-S268 PolarHBondContact O-OG 2.88Å; I266-S268 PolarHBondContact O-N 2.86Å; S268-K270 PolarHBondContact O-N 3.33Å; S268-K270 VanDerWaalsContact O-N 3.16Å; S268-K270 PolarHBondContact OG-N 2.93Å
269	G	92.4	Very high	95.1	Very high	25 Å²	25	67.1 Å²	67.1	26%	0.258	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	9.7	-173.8	0	0	0	0	0	115.6	K265 I266 L271	K265-G269 PolarHBondContact O-N 3.26Å; I266-G269 PolarHBondContact O-N 3.02Å; I266-G269 VanDerWaalsContact O-N 3.1Å; G269-L271 PolarHBondContact O-N 3.2Å
270	K	93.8	Very high	95.6	Very high	139 Å²	139	69.1 Å²	69.1	60%	0.604	33%	0.325	S	S	*	.			trans	-77.4	102.5	-177.4	-167.3	-160.6	-175.5	-159.8	0	110.9	S268 E272	S268-K270 PolarHBondContact O-N 3.33Å; S268-K270 VanDerWaalsContact O-N 3.16Å; S268-K270 PolarHBondContact OG-N 2.93Å; K270-E272 WeakPolarHBondContact CE-OE1 3.39Å; K270-E272 IonicContact NZ-OE1 4Å; K270-E272 PolarHBondContact NZ-OE1 2.97Å
271	L	95.4	Very high	95.9	Very high	34 Å²	34	65.6 Å²	65.6	18%	0.178	31%	0.31	C	S	.	.			trans	-94.4	123.8	177.8	-64.6	168	0	0	0	112	P253 F254 G269 F273 K286 L289	P253-L271 HydrophobicContact CB-CD2 3.95Å; F254-L271 HydrophobicContact CE1-CD2 3.9Å; F254-L271 HydrophobicContact CE2-CD2 4.05Å; F254-L271 HydrophobicContact CZ-CD2 3.41Å; F254-L271 VanDerWaalsContact CZ-CD2 3.41Å; F254-L271 HydrophobicContact CZ-CG 4.3Å; G269-L271 PolarHBondContact O-N 3.2Å; L271-F273 HydrophobicContact CB-CD2 4.27Å; L271-F273 HydrophobicContact CB-CE2 3.53Å; L271-F273 HydrophobicContact CB-CZ 3.89Å; L271-F273 HydrophobicContact CD1-CE2 4.25Å; L271-F273 HydrophobicContact CD1-CZ 3.94Å; L271-F273 HydrophobicContact CG-CZ 4.47Å; L271-K286 HydrophobicContact CD1-CG 4.35Å; L271-L289 HydrophobicContact CD1-CB 3.82Å; L271-L289 HydrophobicContact CD1-CD1 4.31Å; L271-L289 HydrophobicContact CD2-CB 4.34Å; L271-L289 HydrophobicContact CD2-CD1 3.65Å
272	E	96.3	Very high	96.2	Very high	125 Å²	125	67.6 Å²	67.6	58%	0.584	32%	0.317	S	S	*	.			trans	-110	116.3	173.9	-65.2	-170.2	-165.9	0	0	110.4	F245 K270	F245-E272 WeakPolarHBondContact CZ-O 3.4Å; K270-E272 WeakPolarHBondContact CE-OE1 3.39Å; K270-E272 IonicContact NZ-OE1 4Å; K270-E272 PolarHBondContact NZ-OE1 2.97Å
273	F	97.8	Very high	96.4	Very high	43 Å²	43	69.4 Å²	69.4	19%	0.189	33%	0.327	C	S	.	.			trans	-102.6	131.7	-171.8	-67.1	-88.5	0	0	0	112.1	F245 L271 L277 K282 I285 K286	F245-F273 AromaticContact CD2-CD1 3.96Å; F245-F273 HydrophobicContact CD2-CD1 3.96Å; F245-F273 AromaticContact CD2-CE1 3.95Å; F245-F273 HydrophobicContact CD2-CE1 3.95Å; F245-F273 AromaticContact CE2-CD1 3.74Å; F245-F273 HydrophobicContact CE2-CD1 3.74Å; F245-F273 HydrophobicContact CE2-CE1 4.1Å; F245-F273 HydrophobicContact CE2-CG 4.38Å; L271-F273 HydrophobicContact CB-CD2 4.27Å; L271-F273 HydrophobicContact CB-CE2 3.53Å; L271-F273 HydrophobicContact CB-CZ 3.89Å; L271-F273 HydrophobicContact CD1-CE2 4.25Å; L271-F273 HydrophobicContact CD1-CZ 3.94Å; L271-F273 HydrophobicContact CG-CZ 4.47Å; F273-L277 HydrophobicContact CD1-CD1 4.02Å; F273-K282 HydrophobicContact CB-CD 4.35Å; F273-K282 HydrophobicContact CB-CG 4.09Å; F273-K282 HydrophobicContact CD1-CB 4.45Å; F273-K282 HydrophobicContact CD1-CG 3.74Å; F273-K282 HydrophobicContact CE1-CG 4.28Å; F273-K282 HydrophobicContact CG-CG 3.89Å; F273-I285 HydrophobicContact CE1-CB 3.9Å; F273-I285 HydrophobicContact CE1-CD1 4.04Å; F273-I285 HydrophobicContact CE1-CG2 3.77Å; F273-I285 HydrophobicContact CZ-CB 4.29Å; F273-I285 HydrophobicContact CZ-CG2 4.03Å; F273-K286 HydrophobicContact CE2-CD 4.42Å; F273-K286 HydrophobicContact CE2-CG 4.06Å; F273-K286 HydrophobicContact CZ-CG 3.87Å
274	P	97.2	Very high	96.6	Very high	18 Å²	18	69 Å²	69	12%	0.117	33%	0.325	C	S	.	.			trans	-50.6	144.7	167.1	-26.7	30.8	0	0	0	113.3	A249 Y251 H276 L277 K282	A249-P274 HydrophobicContact CB-CG 3.93Å; Y251-P274 HydrophobicContact CE1-CG 4.27Å; Y251-P274 WeakPolarHBondContact OH-CG 3.49Å; P274-H276 WeakPolarHBondContact CB-CE1 3.25Å; P274-H276 WeakPolarHBondContact CB-ND1 3.46Å; P274-H276 PolarHBondContact O-N 3.24Å; P274-L277 HydrophobicContact CB-CG 4.22Å; P274-L277 HydrophobicContact CG-CD1 4.25Å; P274-L277 HydrophobicContact CG-CG 4.39Å; P274-L277 PolarHBondContact O-N 3.26Å; P274-K282 VanDerWaalsContact O-CE 3.32Å; P274-K282 WeakPolarHBondContact O-CE 3.37Å; P274-K282 PolarHBondContact O-NZ 2.87Å
275	R	96.9	Very high	96.8	Very high	248 Å²	248	63.4 Å²	63.4	94%	0.936	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-37.9	179.9	-67.2	-176	-178.6	176.9	1.2	111.7	L277 K282	R275-L277 VanDerWaalsContact C-N 3.35Å; R275-L277 PolarHBondContact O-N 3.36Å; R275-K282 PolarHBondContact O-NZ 3.27Å
276	H	97.4	Very high	96.9	Very high	92 Å²	92	65.4 Å²	65.4	43%	0.426	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.9	-175.9	71.5	-96.2	0	0	0	116.2	L248 P274	L248-H276 PolarHBondContact O-NE2 3.44Å; P274-H276 WeakPolarHBondContact CB-CE1 3.25Å; P274-H276 WeakPolarHBondContact CB-ND1 3.46Å; P274-H276 PolarHBondContact O-N 3.24Å
277	L	97.5	Very high	97	Very high	11 Å²	11	69 Å²	69	6%	0.058	32%	0.323	C	S	.	.	S	Bend	trans	-71.4	138.2	178.1	-65.1	-178.4	0	0	0	110.8	F245 L248 F273 P274 R275 V281 K282	F245-L277 HydrophobicContact CD2-CD1 4.49Å; F245-L277 HydrophobicContact CE2-CD1 4.47Å; L248-L277 HydrophobicContact CB-CD2 3.46Å; L248-L277 VanDerWaalsContact CB-CD2 3.46Å; L248-L277 WeakPolarHBondContact O-CD2 3.32Å; F273-L277 HydrophobicContact CD1-CD1 4.02Å; P274-L277 HydrophobicContact CB-CG 4.22Å; P274-L277 HydrophobicContact CG-CD1 4.25Å; P274-L277 HydrophobicContact CG-CG 4.39Å; P274-L277 PolarHBondContact O-N 3.26Å; R275-L277 VanDerWaalsContact C-N 3.35Å; R275-L277 PolarHBondContact O-N 3.36Å; L277-V281 HydrophobicContact CB-CG1 4.3Å; L277-V281 HydrophobicContact CD1-CG1 4.44Å; L277-V281 HydrophobicContact CD2-CG1 4.32Å; L277-K282 HydrophobicContact CB-CD 4.38Å; L277-K282 HydrophobicContact CB-CG 4.18Å; L277-K282 WeakPolarHBondContact O-CE 3.19Å; L277-K282 PolarHBondContact O-NZ 3.08Å
278	D	95.6	Very high	97.2	Very high	69 Å²	69	66.2 Å²	66.2	37%	0.369	31%	0.309	S	S	.	.			trans	-63.5	158.2	178.6	174.6	-111.8	0	0	0	112.8	Y280 V281 K282	D278-Y280 WeakPolarHBondContact OD1-CA 3.42Å; D278-Y280 VanDerWaalsContact OD1-CB 3.29Å; D278-Y280 WeakPolarHBondContact OD1-CB 3.47Å; D278-Y280 WeakPolarHBondContact OD1-CD2 3.22Å; D278-Y280 PolarHBondContact OD1-N 3.33Å; D278-V281 HydrophobicContact CB-CB 4.29Å; D278-V281 HydrophobicContact CB-CG2 4Å; D278-V281 PolarHBondContact O-N 2.84Å; D278-K282 WeakPolarHBondContact O-CB 3.39Å; D278-K282 WeakPolarHBondContact O-CG 3.32Å; D278-K282 PolarHBondContact O-N 2.9Å
279	F	98.1	Very high	97.3	Very high	142 Å²	142	63 Å²	63	62%	0.623	29%	0.285	S	S	*	.	H	α-helix	trans	-59.9	-44.2	175.6	178.3	-91.8	0	0	0	112.4	K282 D283	F279-K282 PolarHBondContact O-N 3.31Å; F279-D283 WeakPolarHBondContact O-CB 3.32Å; F279-D283 PolarHBondContact O-N 3.47Å
280	Y	98.4	Very high	97.6	Very high	81 Å²	81	63.3 Å²	63.3	32%	0.318	28%	0.282	S	S	.	.	H	α-helix	trans	-72.6	-30.5	-179.5	-58.1	-62.5	0	0	0	112.2	D278 D283 L284 H310 R311	D278-Y280 WeakPolarHBondContact OD1-CA 3.42Å; D278-Y280 VanDerWaalsContact OD1-CB 3.29Å; D278-Y280 WeakPolarHBondContact OD1-CB 3.47Å; D278-Y280 WeakPolarHBondContact OD1-CD2 3.22Å; D278-Y280 PolarHBondContact OD1-N 3.33Å; Y280-D283 PolarHBondContact O-N 2.93Å; Y280-L284 VanDerWaalsContact O-CB 3.29Å; Y280-L284 WeakPolarHBondContact O-CB 3.45Å; Y280-L284 PolarHBondContact O-N 3.42Å; Y280-H310 VanDerWaalsContact CA-CE1 3.49Å; Y280-H310 WeakPolarHBondContact CA-CE1 3.49Å; Y280-H310 PolarHBondContact O-CE1 3.34Å; Y280-R311 HydrophobicContact CD1-CB 3.64Å; Y280-R311 HydrophobicContact CD1-CG 4.42Å; Y280-R311 HydrophobicContact CE1-CB 3.9Å; Y280-R311 HydrophobicContact CE1-CG 4.28Å; Y280-R311 HydrophobicContact CG-CB 4.14Å; Y280-R311 PolarHBondContact OH-NH1 3.16Å
281	V	98.4	Very high	97.6	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-51.6	167.5	171.3	0	0	0	0	110.8	N156 L248 L277 D278 D283 L284 I285 W312	N156-V281 VanDerWaalsContact OD1-CG2 3.24Å; N156-V281 WeakPolarHBondContact OD1-CG2 3.37Å; L248-V281 HydrophobicContact CD1-CB 4.42Å; L248-V281 HydrophobicContact CD1-CG1 3.64Å; L248-V281 HydrophobicContact CD1-CG2 3.8Å; L277-V281 HydrophobicContact CB-CG1 4.3Å; L277-V281 HydrophobicContact CD1-CG1 4.44Å; L277-V281 HydrophobicContact CD2-CG1 4.32Å; D278-V281 HydrophobicContact CB-CB 4.29Å; D278-V281 HydrophobicContact CB-CG2 4Å; D278-V281 PolarHBondContact O-N 2.84Å; V281-D283 VanDerWaalsContact C-N 3.29Å; V281-D283 PolarHBondContact O-N 3.04Å; V281-L284 PolarHBondContact O-N 3.37Å; V281-I285 HydrophobicContact CG1-CD1 3.56Å; V281-I285 HydrophobicContact CG1-CG1 4.44Å; V281-I285 VanDerWaalsContact O-CG1 3.32Å; V281-I285 WeakPolarHBondContact O-CG1 3.49Å; V281-I285 PolarHBondContact O-N 3.23Å; V281-W312 HydrophobicContact CG2-CG 4.41Å; V281-W312 HydrophobicContact CG2-CZ2 4.29Å
282	K	98.7	Very high	97.6	Very high	47 Å²	47	61.8 Å²	61.8	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-38.4	178.2	-76.9	162.5	165.9	145.6	0	112.2	F273 P274 R275 L277 D278 F279 K286	F273-K282 HydrophobicContact CB-CD 4.35Å; F273-K282 HydrophobicContact CB-CG 4.09Å; F273-K282 HydrophobicContact CD1-CB 4.45Å; F273-K282 HydrophobicContact CD1-CG 3.74Å; F273-K282 HydrophobicContact CE1-CG 4.28Å; F273-K282 HydrophobicContact CG-CG 3.89Å; P274-K282 VanDerWaalsContact O-CE 3.32Å; P274-K282 WeakPolarHBondContact O-CE 3.37Å; P274-K282 PolarHBondContact O-NZ 2.87Å; R275-K282 PolarHBondContact O-NZ 3.27Å; L277-K282 HydrophobicContact CB-CD 4.38Å; L277-K282 HydrophobicContact CB-CG 4.18Å; L277-K282 WeakPolarHBondContact O-CE 3.19Å; L277-K282 PolarHBondContact O-NZ 3.08Å; D278-K282 WeakPolarHBondContact O-CB 3.39Å; D278-K282 WeakPolarHBondContact O-CG 3.32Å; D278-K282 PolarHBondContact O-N 2.9Å; F279-K282 PolarHBondContact O-N 3.31Å; K282-K286 WeakPolarHBondContact O-CD 3.47Å; K282-K286 WeakPolarHBondContact O-CG 3.29Å; K282-K286 PolarHBondContact O-N 3.33Å
283	D	98.8	Very high	97.5	Very high	42 Å²	42	58.8 Å²	58.8	23%	0.225	26%	0.264	C	S	.	.	H	α-helix	trans	-70.7	-41.5	176.5	177.9	52.4	0	0	0	112.6	F279 Y280 V281 K287 H310	F279-D283 WeakPolarHBondContact O-CB 3.32Å; F279-D283 PolarHBondContact O-N 3.47Å; Y280-D283 PolarHBondContact O-N 2.93Å; V281-D283 VanDerWaalsContact C-N 3.29Å; V281-D283 PolarHBondContact O-N 3.04Å; D283-K287 WeakPolarHBondContact O-CD 3.11Å; D283-K287 WeakPolarHBondContact O-CG 3.46Å; D283-K287 PolarHBondContact O-N 2.69Å; D283-K287 WeakPolarHBondContact OD1-CE 3.29Å; D283-K287 IonicContact OD1-NZ 3.56Å; D283-K287 PolarHBondContact OD1-NZ 3.31Å; D283-K287 IonicContact OD2-NZ 2.6Å; D283-K287 PolarHBondContact OD2-NZ 2.92Å; D283-H310 WeakPolarHBondContact CB-NE2 3.41Å; D283-H310 IonicContact OD1-NE2 4Å; D283-H310 PolarHBondContact OD1-NE2 2.77Å; D283-H310 IonicContact OD2-CD2 3.56Å; D283-H310 IonicContact OD2-CE1 2.87Å; D283-H310 PolarHBondContact OD2-CE1 2.86Å; D283-H310 VanDerWaalsContact OD2-CE1 3.23Å; D283-H310 IonicContact OD2-NE2 3.6Å; D283-H310 PolarHBondContact OD2-NE2 3.32Å
284	L	98.8	Very high	97.3	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-52.3	175.5	178.8	62.6	0	0	0	111.7	V244 Y280 V281 K286 K287 F288 L297 H310 W312 F313	V244-L284 HydrophobicContact CG1-CD2 4.47Å; Y280-L284 VanDerWaalsContact O-CB 3.29Å; Y280-L284 WeakPolarHBondContact O-CB 3.45Å; Y280-L284 PolarHBondContact O-N 3.42Å; V281-L284 PolarHBondContact O-N 3.37Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 2.61Å; L284-K287 WeakPolarHBondContact O-CB 3.47Å; L284-K287 PolarHBondContact O-N 3.01Å; L284-F288 HydrophobicContact CD1-CD2 4.06Å; L284-F288 HydrophobicContact CD1-CE2 3.53Å; L284-F288 HydrophobicContact CD1-CZ 4.02Å; L284-F288 HydrophobicContact CD2-CE2 4.07Å; L284-F288 HydrophobicContact CG-CD2 3.97Å; L284-F288 HydrophobicContact CG-CE2 3.64Å; L284-F288 PolarHBondContact O-N 3.42Å; L284-F288 VanDerWaalsContact O-N 3.16Å; L284-L297 HydrophobicContact CD1-CD2 3.47Å; L284-L297 VanDerWaalsContact CD1-CD2 3.47Å; L284-H310 HydrophobicContact CD1-CB 4.12Å; L284-H310 PolarHBondContact N-CE1 3.43Å; L284-H310 VanDerWaalsContact N-CE1 3.32Å; L284-H310 PolarHBondContact N-NE2 3.32Å; L284-W312 HydrophobicContact CD2-CB 4.28Å; L284-W312 HydrophobicContact CD2-CD2 3.91Å; L284-W312 HydrophobicContact CD2-CE3 3.25Å; L284-W312 HydrophobicContact CD2-CG 4.37Å; L284-W312 HydrophobicContact CD2-CZ3 3.77Å; L284-F313 HydrophobicContact CD1-CE2 4.1Å; L284-F313 HydrophobicContact CD2-CE2 3.8Å; L284-F313 HydrophobicContact CD2-CZ 4.01Å
285	I	98.8	Very high	97.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-39.7	-177.8	-65.6	163.5	0	0	0	110.6	V244 F245 F273 V281 K287 F288 L289	V244-I285 HydrophobicContact CB-CG1 4.32Å; V244-I285 HydrophobicContact CG1-CD1 4.11Å; V244-I285 HydrophobicContact CG1-CG1 3.85Å; F245-I285 HydrophobicContact CB-CD1 3.92Å; F245-I285 HydrophobicContact CB-CG2 4.36Å; F245-I285 HydrophobicContact CD2-CD1 4.12Å; F245-I285 HydrophobicContact CD2-CG2 4.34Å; F245-I285 HydrophobicContact CG-CD1 4.46Å; F273-I285 HydrophobicContact CE1-CB 3.9Å; F273-I285 HydrophobicContact CE1-CD1 4.04Å; F273-I285 HydrophobicContact CE1-CG2 3.77Å; F273-I285 HydrophobicContact CZ-CB 4.29Å; F273-I285 HydrophobicContact CZ-CG2 4.03Å; V281-I285 HydrophobicContact CG1-CD1 3.56Å; V281-I285 HydrophobicContact CG1-CG1 4.44Å; V281-I285 VanDerWaalsContact O-CG1 3.32Å; V281-I285 WeakPolarHBondContact O-CG1 3.49Å; V281-I285 PolarHBondContact O-N 3.23Å; I285-K287 PolarHBondContact O-N 2.66Å; I285-F288 PolarHBondContact O-N 2.92Å; I285-L289 HydrophobicContact CG2-CD1 3.53Å; I285-L289 HydrophobicContact CG2-CG 3.99Å; I285-L289 WeakPolarHBondContact O-CB 3.48Å; I285-L289 WeakPolarHBondContact O-CG 3.39Å; I285-L289 PolarHBondContact O-N 3.27Å
286	K	98.6	Very high	97.4	Very high	122 Å²	122	55.6 Å²	55.6	53%	0.53	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-25.3	175	-75.5	172.4	-176.6	-177	0	114.3	L271 F273 K282 L284	L271-K286 HydrophobicContact CD1-CG 4.35Å; F273-K286 HydrophobicContact CE2-CD 4.42Å; F273-K286 HydrophobicContact CE2-CG 4.06Å; F273-K286 HydrophobicContact CZ-CG 3.87Å; K282-K286 WeakPolarHBondContact O-CD 3.47Å; K282-K286 WeakPolarHBondContact O-CG 3.29Å; K282-K286 PolarHBondContact O-N 3.33Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 2.61Å
287	K	98.5	Very high	97.4	Very high	77 Å²	77	51.7 Å²	51.7	34%	0.335	25%	0.245	S	C	.	.	H	α-helix	trans	-87.2	-24.5	179.3	-68.6	165	176.6	167.1	0	112.7	D283 L284 I285 L297 H310	D283-K287 WeakPolarHBondContact O-CD 3.11Å; D283-K287 WeakPolarHBondContact O-CG 3.46Å; D283-K287 PolarHBondContact O-N 2.69Å; D283-K287 WeakPolarHBondContact OD1-CE 3.29Å; D283-K287 IonicContact OD1-NZ 3.56Å; D283-K287 PolarHBondContact OD1-NZ 3.31Å; D283-K287 IonicContact OD2-NZ 2.6Å; D283-K287 PolarHBondContact OD2-NZ 2.92Å; L284-K287 WeakPolarHBondContact O-CB 3.47Å; L284-K287 PolarHBondContact O-N 3.01Å; I285-K287 PolarHBondContact O-N 2.66Å; K287-L297 HydrophobicContact CB-CB 4.04Å; K287-L297 HydrophobicContact CB-CD1 4.47Å; K287-L297 HydrophobicContact CB-CD2 4.24Å; K287-L297 PolarHBondContact O-N 3.2Å; K287-H310 VanDerWaalsContact CD-NE2 3.31Å; K287-H310 WeakPolarHBondContact CD-NE2 3.44Å; K287-H310 WeakPolarHBondContact CE-NE2 3.43Å; K287-H310 PolarHBondContact NZ-NE2 2.88Å
288	F	98.7	Very high	97.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-79.7	-48.1	166.3	-71.6	-51.1	0	0	0	111.9	W237 L240 L284 I285 V290 R296 L297 V307	W237-F288 HydrophobicContact CB-CD1 4.17Å; W237-F288 HydrophobicContact CB-CE1 4.34Å; W237-F288 AromaticContact CE3-CE1 3.91Å; W237-F288 HydrophobicContact CE3-CE1 3.91Å; W237-F288 WeakPolarHBondContact O-CB 3.45Å; W237-F288 WeakPolarHBondContact O-CD1 3.4Å; W237-F288 WeakPolarHBondContact O-CG 3.31Å; L240-F288 HydrophobicContact CD2-CE1 4.24Å; L240-F288 HydrophobicContact CD2-CE2 4.26Å; L240-F288 HydrophobicContact CD2-CZ 3.71Å; L240-F288 HydrophobicContact CG-CE2 4.35Å; L240-F288 HydrophobicContact CG-CZ 4.25Å; L284-F288 HydrophobicContact CD1-CD2 4.06Å; L284-F288 HydrophobicContact CD1-CE2 3.53Å; L284-F288 HydrophobicContact CD1-CZ 4.02Å; L284-F288 HydrophobicContact CD2-CE2 4.07Å; L284-F288 HydrophobicContact CG-CD2 3.97Å; L284-F288 HydrophobicContact CG-CE2 3.64Å; L284-F288 PolarHBondContact O-N 3.42Å; L284-F288 VanDerWaalsContact O-N 3.16Å; I285-F288 PolarHBondContact O-N 2.92Å; F288-V290 PolarHBondContact O-N 3.41Å; F288-R296 VanDerWaalsContact O-CD 3.23Å; F288-R296 WeakPolarHBondContact O-CD 3.41Å; F288-R296 VanDerWaalsContact O-CG 3.23Å; F288-R296 WeakPolarHBondContact O-CG 3.39Å; F288-R296 PolarHBondContact O-NE 2.93Å; F288-L297 HydrophobicContact CD1-CB 3.91Å; F288-L297 HydrophobicContact CE1-CB 4.02Å; F288-L297 HydrophobicContact CE1-CD2 4.22Å; F288-L297 HydrophobicContact CE1-CG 4.48Å; F288-L297 HydrophobicContact CZ-CD2 4.31Å; F288-V307 HydrophobicContact CE1-CG1 4.23Å; F288-V307 HydrophobicContact CE1-CG2 3.88Å; F288-V307 HydrophobicContact CZ-CG1 3.67Å; F288-V307 HydrophobicContact CZ-CG2 4.19Å
289	L	98.5	Very high	97.4	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	-86.8	41.4	-174.2	-57	-172.9	0	0	0	112.9	W238 I242 P253 F254 L271 I285	W238-L289 HydrophobicContact CD2-CD2 3.62Å; W238-L289 HydrophobicContact CE3-CB 4.43Å; W238-L289 HydrophobicContact CE3-CD2 3.88Å; W238-L289 HydrophobicContact CG-CD2 4.06Å; W238-L289 HydrophobicContact CH2-CB 4.27Å; W238-L289 HydrophobicContact CH2-CD2 4.28Å; W238-L289 HydrophobicContact CZ2-CD2 4.04Å; W238-L289 VanDerWaalsContact CZ3-C 3.42Å; W238-L289 VanDerWaalsContact CZ3-CA 3.48Å; W238-L289 HydrophobicContact CZ3-CB 4.09Å; W238-L289 HydrophobicContact CZ3-CD2 4.21Å; W238-L289 WeakPolarHBondContact O-CD2 3.27Å; I242-L289 HydrophobicContact CD1-CD1 3.87Å; I242-L289 HydrophobicContact CD1-CD2 3.56Å; I242-L289 HydrophobicContact CD1-CG 4.39Å; I242-L289 HydrophobicContact CG1-CD2 3.9Å; P253-L289 HydrophobicContact CG-CD1 3.95Å; F254-L289 HydrophobicContact CE2-CD1 4.36Å; L271-L289 HydrophobicContact CD1-CB 3.82Å; L271-L289 HydrophobicContact CD1-CD1 4.31Å; L271-L289 HydrophobicContact CD2-CB 4.34Å; L271-L289 HydrophobicContact CD2-CD1 3.65Å; I285-L289 HydrophobicContact CG2-CD1 3.53Å; I285-L289 HydrophobicContact CG2-CG 3.99Å; I285-L289 WeakPolarHBondContact O-CB 3.48Å; I285-L289 WeakPolarHBondContact O-CG 3.39Å; I285-L289 PolarHBondContact O-N 3.27Å
290	V	97	Very high	97.2	Very high	32 Å²	32	47.6 Å²	47.6	19%	0.194	23%	0.23	C	C	.	.			trans	-92.9	131.8	170.9	62.1	0	0	0	0	110.3	F288 D292 R296	F288-V290 PolarHBondContact O-N 3.41Å; V290-D292 VanDerWaalsContact C-N 3.34Å; V290-D292 HydrophobicContact CG2-CB 4.47Å; V290-D292 PolarHBondContact O-N 2.94Å; V290-R296 VanDerWaalsContact CG1-CA 3.48Å; V290-R296 HydrophobicContact CG1-CB 3.73Å; V290-R296 HydrophobicContact CG1-CG 4.12Å; V290-R296 PolarHBondContact O-NE 3.39Å; V290-R296 PolarHBondContact O-NH2 3.2Å
291	I	95.1	Very high	97	Very high	67 Å²	67	53.5 Å²	53.5	34%	0.344	26%	0.257	S	S	.	.	S	Bend	trans	-63.7	-40.3	-178.6	-53.3	-57.9	0	0	0	111.2	P223 W238 I266 R293	P223-I291 HydrophobicContact CB-CD1 4.23Å; P223-I291 HydrophobicContact CB-CG2 4.19Å; P223-I291 HydrophobicContact CG-CD1 3.54Å; P223-I291 HydrophobicContact CG-CG2 4.46Å; W238-I291 HydrophobicContact CH2-CD1 4.06Å; W238-I291 HydrophobicContact CZ3-CD1 4.22Å; I266-I291 WeakPolarHBondContact O-CD1 3.35Å; I291-R293 PolarHBondContact O-N 3.49Å; I291-R293 VanDerWaalsContact O-N 3.12Å
292	D	94.8	Very high	96.9	Very high	75 Å²	75	57.5 Å²	57.5	40%	0.401	28%	0.278	S	S	.	.			trans	-75.8	98.4	171.9	178.8	10.4	0	0	0	111	V290 A294 R295	V290-D292 VanDerWaalsContact C-N 3.34Å; V290-D292 HydrophobicContact CG2-CB 4.47Å; V290-D292 PolarHBondContact O-N 2.94Å; D292-A294 PolarHBondContact O-N 3.25Å; D292-A294 WeakPolarHBondContact OD1-CB 3.42Å; D292-A294 PolarHBondContact OD1-N 3.08Å; D292-R295 PolarHBondContact O-N 3.18Å; D292-R295 WeakPolarHBondContact OD2-CD 3.29Å; D292-R295 VanDerWaalsContact OD2-CG 3.31Å; D292-R295 WeakPolarHBondContact OD2-CG 3.42Å
293	R	94.3	Very high	96.7	Very high	61 Å²	61	56.2 Å²	56.2	23%	0.23	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59	-22	177.5	71.5	-172.9	-173.9	-177.7	4.9	114.9	E224 G230 A234 I291 R295 R296 N299	E224-R293 VanDerWaalsContact OE1-CB 3.32Å; E224-R293 WeakPolarHBondContact OE1-CB 3.41Å; E224-R293 WeakPolarHBondContact OE1-CD 3.4Å; G230-R293 VanDerWaalsContact O-CZ 3.3Å; G230-R293 PolarHBondContact O-NH1 3.02Å; G230-R293 PolarHBondContact O-NH2 2.92Å; A234-R293 HydrophobicContact CB-CB 4.04Å; I291-R293 PolarHBondContact O-N 3.49Å; I291-R293 VanDerWaalsContact O-N 3.12Å; R293-R295 PolarHBondContact O-N 3.44Å; R293-R296 WeakPolarHBondContact O-CB 3.23Å; R293-R296 PolarHBondContact O-N 2.89Å; R293-N299 PolarHBondContact O-ND2 2.98Å
294	A	94.3	Very high	96.7	Very high	68 Å²	68	54.8 Å²	54.8	56%	0.562	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-70.6	-18.4	175.2	0	0	0	0	0	112.4	D292	D292-A294 PolarHBondContact O-N 3.25Å; D292-A294 WeakPolarHBondContact OD1-CB 3.42Å; D292-A294 PolarHBondContact OD1-N 3.08Å
295	R	96.2	Very high	96.6	Very high	174 Å²	174	58 Å²	58	66%	0.657	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-105.9	5.8	177.3	-63.3	171.8	62.4	-168.7	-2.1	113	D292 R293	D292-R295 PolarHBondContact O-N 3.18Å; D292-R295 WeakPolarHBondContact OD2-CD 3.29Å; D292-R295 VanDerWaalsContact OD2-CG 3.31Å; D292-R295 WeakPolarHBondContact OD2-CG 3.42Å; R293-R295 PolarHBondContact O-N 3.44Å
296	R	98.3	Very high	96.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-79.6	131.2	-175.8	-170.1	174.7	-59.6	145.6	4.4	111.1	E224 A234 F288 V290 R293 N299 M300	E224-R296 IonicContact OE1-CZ 2.78Å; E224-R296 IonicContact OE1-NH1 2.69Å; E224-R296 PolarHBondContact OE1-NH1 3.02Å; E224-R296 IonicContact OE1-NH2 3.46Å; E224-R296 IonicContact OE2-CZ 3.82Å; E224-R296 IonicContact OE2-NH1 2.68Å; E224-R296 PolarHBondContact OE2-NH1 3.13Å; E224-R296 IonicContact OE2-NH2 3.39Å; E224-R296 PolarHBondContact OE2-NH2 3.27Å; A234-R296 WeakPolarHBondContact O-CD 3.25Å; A234-R296 PolarHBondContact O-NH1 2.89Å; F288-R296 VanDerWaalsContact O-CD 3.23Å; F288-R296 WeakPolarHBondContact O-CD 3.41Å; F288-R296 VanDerWaalsContact O-CG 3.23Å; F288-R296 WeakPolarHBondContact O-CG 3.39Å; F288-R296 PolarHBondContact O-NE 2.93Å; V290-R296 VanDerWaalsContact CG1-CA 3.48Å; V290-R296 HydrophobicContact CG1-CB 3.73Å; V290-R296 HydrophobicContact CG1-CG 4.12Å; V290-R296 PolarHBondContact O-NE 3.39Å; V290-R296 PolarHBondContact O-NH2 3.2Å; R293-R296 WeakPolarHBondContact O-CB 3.23Å; R293-R296 PolarHBondContact O-N 2.89Å; R296-N299 HydrophobicContact CB-CB 4.41Å; R296-N299 WeakPolarHBondContact O-CA 3.25Å; R296-N299 PolarHBondContact O-N 2.89Å; R296-M300 PolarHBondContact O-N 3.49Å
297	L	98.1	Very high	96.6	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.058	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	139.1	174.4	-151.4	69.2	0	0	0	109.9	W237 L284 K287 F288 N299 M300 D306 V307 H310	W237-L297 WeakPolarHBondContact CB-O 3.39Å; L284-L297 HydrophobicContact CD1-CD2 3.47Å; L284-L297 VanDerWaalsContact CD1-CD2 3.47Å; K287-L297 HydrophobicContact CB-CB 4.04Å; K287-L297 HydrophobicContact CB-CD1 4.47Å; K287-L297 HydrophobicContact CB-CD2 4.24Å; K287-L297 PolarHBondContact O-N 3.2Å; F288-L297 HydrophobicContact CD1-CB 3.91Å; F288-L297 HydrophobicContact CE1-CB 4.02Å; F288-L297 HydrophobicContact CE1-CD2 4.22Å; F288-L297 HydrophobicContact CE1-CG 4.48Å; F288-L297 HydrophobicContact CZ-CD2 4.31Å; L297-N299 PolarHBondContact O-N 3.17Å; L297-M300 HydrophobicContact CD1-CE 3.84Å; L297-D306 HydrophobicContact CD1-CB 4.02Å; L297-D306 WeakPolarHBondContact CD1-O 3.34Å; L297-V307 HydrophobicContact CB-CG2 4.46Å; L297-V307 HydrophobicContact CD2-CB 4.46Å; L297-V307 HydrophobicContact CD2-CG2 4.2Å; L297-V307 HydrophobicContact CG-CG2 3.89Å; L297-H310 HydrophobicContact CD2-CB 4.47Å
298	G	97.2	Very high	96.6	Very high	6 Å²	6	51.7 Å²	51.7	6%	0.062	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-19.2	-171.6	0	0	0	0	0	115	W237 G303	W237-G298 PolarHBondContact NE1-O 3.34Å; W237-G298 VanDerWaalsContact NE1-O 3.08Å; G298-G303 VanDerWaalsContact CA-O 3.31Å; G298-G303 WeakPolarHBondContact CA-O 3.5Å; G298-G303 CarbonylContact O-C 3.53Å; G298-G303 WeakPolarHBondContact O-CA 3.35Å
299	N	96.5	Very high	96.6	Very high	57 Å²	57	58.1 Å²	58.1	31%	0.305	29%	0.291	S	S	.	.	S	Bend	trans	-116.7	10.8	-179.6	-164.6	71.8	0	0	0	113.6	A234 R293 R296 L297	A234-N299 HydrophobicContact CB-CB 3.99Å; R293-N299 PolarHBondContact O-ND2 2.98Å; R296-N299 HydrophobicContact CB-CB 4.41Å; R296-N299 WeakPolarHBondContact O-CA 3.25Å; R296-N299 PolarHBondContact O-N 2.89Å; L297-N299 PolarHBondContact O-N 3.17Å
300	M	94.1	Very high	96.6	Very high	73 Å²	73	58.5 Å²	58.5	36%	0.36	29%	0.293	S	S	.	.	S	Bend	trans	-88.3	-178	172.1	-64.2	-173.5	-54.7	0	0	111.1	R296 L297 N302 G303 D306	R296-M300 PolarHBondContact O-N 3.49Å; L297-M300 HydrophobicContact CD1-CE 3.84Å; M300-N302 PolarHBondContact O-N 3.3Å; M300-N302 VanDerWaalsContact O-N 3.09Å; M300-G303 PolarHBondContact O-N 3.3Å; M300-D306 HydrophobicContact CE-CB 3.89Å
301	K	93.9	Very high	96.7	Very high	205 Å²	205	65 Å²	65	89%	0.891	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.1	-172.7	-175.1	180	176	-174.4	0	114.4
302	N	95.1	Very high	96.8	Very high	85 Å²	85	62.4 Å²	62.4	46%	0.455	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	2.1	-179	-39.5	-49.3	0	0	0	112.5	M300 A304 D305 D306	M300-N302 PolarHBondContact O-N 3.3Å; M300-N302 VanDerWaalsContact O-N 3.09Å; N302-A304 PolarHBondContact O-N 2.81Å; N302-D305 HydrophobicContact CB-CB 3.95Å; N302-D305 WeakPolarHBondContact O-CB 3.42Å; N302-D305 PolarHBondContact O-N 3.26Å; N302-D305 VanDerWaalsContact O-N 3.14Å; N302-D306 WeakPolarHBondContact CB-OD2 3.42Å; N302-D306 PolarHBondContact N-OD2 3.31Å; N302-D306 PolarHBondContact ND2-OD1 3.31Å; N302-D306 PolarHBondContact ND2-OD2 2.77Å
303	G	95.8	Very high	97	Very high	20 Å²	20	59 Å²	59	21%	0.206	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-129.3	177.2	0	0	0	0	0	113.3	G298 M300 D305 D306	G298-G303 VanDerWaalsContact CA-O 3.31Å; G298-G303 WeakPolarHBondContact CA-O 3.5Å; G298-G303 CarbonylContact O-C 3.53Å; G298-G303 WeakPolarHBondContact O-CA 3.35Å; M300-G303 PolarHBondContact O-N 3.3Å; G303-D305 PolarHBondContact O-N 3.25Å; G303-D306 PolarHBondContact O-N 3.01Å
304	A	97.6	Very high	97.2	Very high	12 Å²	12	65 Å²	65	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-25.4	178.3	0	0	0	0	0	113.4	E171 W237 N302 D306 V307 K308	E171-A304 HydrophobicContact CB-CB 3.9Å; E171-A304 HydrophobicContact CG-CB 3.81Å; E171-A304 WeakPolarHBondContact OE1-CB 3.34Å; W237-A304 HydrophobicContact CH2-CB 3.91Å; W237-A304 HydrophobicContact CZ2-CB 3.89Å; N302-A304 PolarHBondContact O-N 2.81Å; A304-D306 VanDerWaalsContact C-N 3.26Å; A304-D306 PolarHBondContact O-N 3.29Å; A304-V307 WeakPolarHBondContact O-CA 3.42Å; A304-V307 VanDerWaalsContact O-CB 3.25Å; A304-V307 WeakPolarHBondContact O-CB 3.43Å; A304-V307 PolarHBondContact O-N 2.85Å; A304-K308 PolarHBondContact O-N 3.4Å
305	D	98	Very high	97.3	Very high	66 Å²	66	67.4 Å²	67.4	35%	0.353	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-32.4	179.9	-127.9	19.9	0	0	0	112	N302 G303 V307 K308 K309	N302-D305 HydrophobicContact CB-CB 3.95Å; N302-D305 WeakPolarHBondContact O-CB 3.42Å; N302-D305 PolarHBondContact O-N 3.26Å; N302-D305 VanDerWaalsContact O-N 3.14Å; G303-D305 PolarHBondContact O-N 3.25Å; D305-V307 VanDerWaalsContact C-N 3.29Å; D305-V307 PolarHBondContact O-N 3.38Å; D305-K308 PolarHBondContact O-N 2.7Å; D305-K309 WeakPolarHBondContact O-CB 3.35Å; D305-K309 VanDerWaalsContact O-CD 3.25Å; D305-K309 WeakPolarHBondContact O-CD 3.45Å; D305-K309 WeakPolarHBondContact O-CG 3.5Å; D305-K309 PolarHBondContact O-N 3.23Å; D305-K309 VanDerWaalsContact O-N 3.08Å; D305-K309 IonicContact OD1-NZ 3.78Å; D305-K309 WeakPolarHBondContact OD2-CE 3.48Å; D305-K309 IonicContact OD2-NZ 3.01Å; D305-K309 PolarHBondContact OD2-NZ 3.41Å
306	D	97.9	Very high	97.4	Very high	31 Å²	31	60 Å²	60	17%	0.166	29%	0.292	C	S	.	.	H	α-helix	trans	-70.7	-25.6	173.5	-69.2	-39.9	0	0	0	112.2	L297 M300 N302 G303 A304	L297-D306 HydrophobicContact CD1-CB 4.02Å; L297-D306 WeakPolarHBondContact CD1-O 3.34Å; M300-D306 HydrophobicContact CE-CB 3.89Å; N302-D306 WeakPolarHBondContact CB-OD2 3.42Å; N302-D306 PolarHBondContact N-OD2 3.31Å; N302-D306 PolarHBondContact ND2-OD1 3.31Å; N302-D306 PolarHBondContact ND2-OD2 2.77Å; G303-D306 PolarHBondContact O-N 3.01Å; A304-D306 VanDerWaalsContact C-N 3.26Å; A304-D306 PolarHBondContact O-N 3.29Å
307	V	98.6	Very high	97.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-73.2	-53.1	170.8	-175.4	0	0	0	0	109.7	V167 W237 F288 L297 A304 D305 K309 H310 F313	V167-V307 HydrophobicContact CG1-CG1 4.38Å; V167-V307 HydrophobicContact CG2-CG1 3.79Å; W237-V307 HydrophobicContact CE3-CG2 4.05Å; W237-V307 HydrophobicContact CH2-CG2 4.37Å; W237-V307 HydrophobicContact CZ3-CG2 3.96Å; F288-V307 HydrophobicContact CE1-CG1 4.23Å; F288-V307 HydrophobicContact CE1-CG2 3.88Å; F288-V307 HydrophobicContact CZ-CG1 3.67Å; F288-V307 HydrophobicContact CZ-CG2 4.19Å; L297-V307 HydrophobicContact CB-CG2 4.46Å; L297-V307 HydrophobicContact CD2-CB 4.46Å; L297-V307 HydrophobicContact CD2-CG2 4.2Å; L297-V307 HydrophobicContact CG-CG2 3.89Å; A304-V307 WeakPolarHBondContact O-CA 3.42Å; A304-V307 VanDerWaalsContact O-CB 3.25Å; A304-V307 WeakPolarHBondContact O-CB 3.43Å; A304-V307 PolarHBondContact O-N 2.85Å; D305-V307 VanDerWaalsContact C-N 3.29Å; D305-V307 PolarHBondContact O-N 3.38Å; V307-K309 PolarHBondContact O-N 3.31Å; V307-H310 VanDerWaalsContact O-CB 3.25Å; V307-H310 WeakPolarHBondContact O-CB 3.36Å; V307-H310 PolarHBondContact O-N 3.12Å; V307-F313 HydrophobicContact CG1-CE2 3.72Å; V307-F313 HydrophobicContact CG1-CZ 4.1Å; V307-F313 VanDerWaalsContact O-CD2 3.23Å; V307-F313 WeakPolarHBondContact O-CD2 3.1Å
308	K	98.6	Very high	97.4	Very high	36 Å²	36	65.7 Å²	65.7	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-56.1	-35	-178.5	-70	-179.8	170.7	168.8	0	113.4	V167 E171 A304 D305 H310 W318	V167-K308 HydrophobicContact CG1-CG 4.13Å; E171-K308 WeakPolarHBondContact OE1-CE 3.19Å; E171-K308 IonicContact OE1-NZ 3.47Å; E171-K308 PolarHBondContact OE1-NZ 1.94Å; E171-K308 VanDerWaalsContact OE2-CE 3.3Å; E171-K308 WeakPolarHBondContact OE2-CE 3.48Å; E171-K308 IonicContact OE2-NZ 2.7Å; E171-K308 PolarHBondContact OE2-NZ 3.34Å; A304-K308 PolarHBondContact O-N 3.4Å; D305-K308 PolarHBondContact O-N 2.7Å; K308-H310 VanDerWaalsContact C-N 3.33Å; K308-W318 HydrophobicContact CB-CD2 4.2Å; K308-W318 HydrophobicContact CB-CG 4.47Å; K308-W318 HydrophobicContact CB-CZ2 3.99Å; K308-W318 HydrophobicContact CD-CD2 4.04Å; K308-W318 HydrophobicContact CD-CE3 4.26Å; K308-W318 HydrophobicContact CD-CG 4.22Å; K308-W318 HydrophobicContact CG-CD2 3.75Å; K308-W318 HydrophobicContact CG-CE3 4.02Å; K308-W318 HydrophobicContact CG-CG 4.3Å; K308-W318 HydrophobicContact CG-CH2 4.08Å; K308-W318 HydrophobicContact CG-CZ2 3.8Å; K308-W318 HydrophobicContact CG-CZ3 4.18Å; K308-W318 PolarHBondContact O-NE1 2.95Å
309	K	98.4	Very high	97.5	Very high	136 Å²	136	72.4 Å²	72.4	59%	0.591	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.7	179.4	-66.7	164	-163.5	170.7	0	114	D305 V307	D305-K309 WeakPolarHBondContact O-CB 3.35Å; D305-K309 VanDerWaalsContact O-CD 3.25Å; D305-K309 WeakPolarHBondContact O-CD 3.45Å; D305-K309 WeakPolarHBondContact O-CG 3.5Å; D305-K309 PolarHBondContact O-N 3.23Å; D305-K309 VanDerWaalsContact O-N 3.08Å; D305-K309 IonicContact OD1-NZ 3.78Å; D305-K309 WeakPolarHBondContact OD2-CE 3.48Å; D305-K309 IonicContact OD2-NZ 3.01Å; D305-K309 PolarHBondContact OD2-NZ 3.41Å; V307-K309 PolarHBondContact O-N 3.31Å
310	H	98.8	Very high	97.5	Very high	14 Å²	14	70 Å²	70	7%	0.065	34%	0.337	C	S	.	.	S	Bend	trans	-68.9	141.5	178.4	-169.7	-79.9	0	0	0	111.4	Y280 D283 L284 K287 L297 V307 K308 W312 F313	Y280-H310 VanDerWaalsContact CA-CE1 3.49Å; Y280-H310 WeakPolarHBondContact CA-CE1 3.49Å; Y280-H310 PolarHBondContact O-CE1 3.34Å; D283-H310 WeakPolarHBondContact CB-NE2 3.41Å; D283-H310 IonicContact OD1-NE2 4Å; D283-H310 PolarHBondContact OD1-NE2 2.77Å; D283-H310 IonicContact OD2-CD2 3.56Å; D283-H310 IonicContact OD2-CE1 2.87Å; D283-H310 PolarHBondContact OD2-CE1 2.86Å; D283-H310 VanDerWaalsContact OD2-CE1 3.23Å; D283-H310 IonicContact OD2-NE2 3.6Å; D283-H310 PolarHBondContact OD2-NE2 3.32Å; L284-H310 HydrophobicContact CD1-CB 4.12Å; L284-H310 PolarHBondContact N-CE1 3.43Å; L284-H310 VanDerWaalsContact N-CE1 3.32Å; L284-H310 PolarHBondContact N-NE2 3.32Å; K287-H310 VanDerWaalsContact CD-NE2 3.31Å; K287-H310 WeakPolarHBondContact CD-NE2 3.44Å; K287-H310 WeakPolarHBondContact CE-NE2 3.43Å; K287-H310 PolarHBondContact NZ-NE2 2.88Å; L297-H310 HydrophobicContact CD2-CB 4.47Å; V307-H310 VanDerWaalsContact O-CB 3.25Å; V307-H310 WeakPolarHBondContact O-CB 3.36Å; V307-H310 PolarHBondContact O-N 3.12Å; K308-H310 VanDerWaalsContact C-N 3.33Å; H310-W312 PolarHBondContact ND1-N 2.95Å; H310-W312 PolarHBondContact O-N 2.93Å; H310-F313 HydrophobicContact CB-CD2 4.11Å; H310-F313 HydrophobicContact CB-CE2 4.49Å; H310-F313 PolarHBondContact O-N 3.1Å
311	R	98.5	Very high	97.7	Very high	167 Å²	167	66.6 Å²	66.6	63%	0.63	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-57.3	-24.8	-171.9	-74.7	-172.7	176	-161.1	4.7	114.7	Y280 F313 K314	Y280-R311 HydrophobicContact CD1-CB 3.64Å; Y280-R311 HydrophobicContact CD1-CG 4.42Å; Y280-R311 HydrophobicContact CE1-CB 3.9Å; Y280-R311 HydrophobicContact CE1-CG 4.28Å; Y280-R311 HydrophobicContact CG-CB 4.14Å; Y280-R311 PolarHBondContact OH-NH1 3.16Å; R311-F313 VanDerWaalsContact C-N 3.31Å; R311-K314 VanDerWaalsContact O-CB 3.29Å; R311-K314 WeakPolarHBondContact O-CB 3.24Å; R311-K314 PolarHBondContact O-N 3.39Å
312	W	98.7	Very high	97.9	Very high	13 Å²	13	59.1 Å²	59.1	5%	0.049	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65.6	-33.9	175.5	-171.1	61.3	0	0	0	112.6	N156 L160 T163 V244 L248 V281 L284 H310 K314	N156-W312 PolarHBondContact ND2-NE1 3.21Å; N156-W312 PolarHBondContact OD1-NE1 3.14Å; L160-W312 VanDerWaalsContact CA-CH2 3.45Å; L160-W312 HydrophobicContact CB-CH2 4.11Å; L160-W312 HydrophobicContact CB-CZ2 3.85Å; L160-W312 HydrophobicContact CD1-CD2 3.79Å; L160-W312 HydrophobicContact CD1-CE3 3.65Å; L160-W312 HydrophobicContact CD1-CG 4.45Å; L160-W312 HydrophobicContact CD1-CH2 4.26Å; L160-W312 HydrophobicContact CD1-CZ2 4.3Å; L160-W312 HydrophobicContact CD1-CZ3 3.93Å; L160-W312 WeakPolarHBondContact CD1-O 3.39Å; T163-W312 HydrophobicContact CG2-CZ3 3.91Å; V244-W312 HydrophobicContact CG1-CH2 4.09Å; V244-W312 HydrophobicContact CG1-CZ3 4.33Å; L248-W312 HydrophobicContact CD1-CZ2 3.92Å; V281-W312 HydrophobicContact CG2-CG 4.41Å; V281-W312 HydrophobicContact CG2-CZ2 4.29Å; L284-W312 HydrophobicContact CD2-CB 4.28Å; L284-W312 HydrophobicContact CD2-CD2 3.91Å; L284-W312 HydrophobicContact CD2-CE3 3.25Å; L284-W312 HydrophobicContact CD2-CG 4.37Å; L284-W312 HydrophobicContact CD2-CZ3 3.77Å; H310-W312 PolarHBondContact ND1-N 2.95Å; H310-W312 PolarHBondContact O-N 2.93Å; W312-K314 VanDerWaalsContact C-N 3.33Å; W312-K314 PolarHBondContact O-N 3.39Å
313	F	98.7	Very high	98.1	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-88.6	11.7	177	-53.7	-83.2	0	0	0	113.9	L160 T163 V167 L284 V307 H310 R311 T315 V316 W318	L160-F313 HydrophobicContact CD1-CD1 3.46Å; L160-F313 VanDerWaalsContact CD1-CD1 3.46Å; L160-F313 HydrophobicContact CD1-CE1 4Å; L160-F313 HydrophobicContact CD1-CG 4.18Å; T163-F313 HydrophobicContact CG2-CE1 3.88Å; T163-F313 HydrophobicContact CG2-CZ 3.75Å; V167-F313 HydrophobicContact CG2-CZ 4.25Å; L284-F313 HydrophobicContact CD1-CE2 4.1Å; L284-F313 HydrophobicContact CD2-CE2 3.8Å; L284-F313 HydrophobicContact CD2-CZ 4.01Å; V307-F313 HydrophobicContact CG1-CE2 3.72Å; V307-F313 HydrophobicContact CG1-CZ 4.1Å; V307-F313 VanDerWaalsContact O-CD2 3.23Å; V307-F313 WeakPolarHBondContact O-CD2 3.1Å; H310-F313 HydrophobicContact CB-CD2 4.11Å; H310-F313 HydrophobicContact CB-CE2 4.49Å; H310-F313 PolarHBondContact O-N 3.1Å; R311-F313 VanDerWaalsContact C-N 3.31Å; F313-T315 PolarHBondContact O-N 2.96Å; F313-V316 HydrophobicContact CB-CB 4.38Å; F313-V316 HydrophobicContact CB-CG2 4.09Å; F313-V316 HydrophobicContact CD1-CG2 4.23Å; F313-V316 WeakPolarHBondContact O-CB 3.35Å; F313-V316 PolarHBondContact O-N 2.84Å; F313-W318 HydrophobicContact CB-CZ2 3.67Å; F313-W318 AromaticContact CD1-CH2 3.84Å; F313-W318 HydrophobicContact CD1-CH2 3.84Å; F313-W318 AromaticContact CD1-CZ2 3.6Å; F313-W318 HydrophobicContact CD1-CZ2 3.6Å; F313-W318 HydrophobicContact CD2-CZ2 4.3Å; F313-W318 HydrophobicContact CE1-CH2 4.1Å; F313-W318 HydrophobicContact CE1-CZ2 4.26Å; F313-W318 HydrophobicContact CG-CH2 4.29Å; F313-W318 AromaticContact CG-CZ2 3.63Å; F313-W318 HydrophobicContact CG-CZ2 3.63Å
314	K	98	Very high	98.2	Very high	187 Å²	187	62 Å²	62	81%	0.813	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.6	-175.8	178.8	-178.9	174.3	-166.6	0	114	R311 W312	R311-K314 VanDerWaalsContact O-CB 3.29Å; R311-K314 WeakPolarHBondContact O-CB 3.24Å; R311-K314 PolarHBondContact O-N 3.39Å; W312-K314 VanDerWaalsContact C-N 3.33Å; W312-K314 PolarHBondContact O-N 3.39Å
315	T	97.3	Very high	98.1	Very high	119 Å²	119	68.5 Å²	68.5	73%	0.73	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	9.3	-178.3	57.8	0	0	0	0	113.8	F313	F313-T315 PolarHBondContact O-N 2.96Å
316	V	98.4	Very high	98	Very high	20 Å²	20	67.6 Å²	67.6	12%	0.121	32%	0.319	C	S	.	.			trans	-92.5	120.5	-179.5	178.3	0	0	0	0	109.7	L160 S164 F313 W318 V321	L160-V316 HydrophobicContact CD1-CG2 3.96Å; L160-V316 HydrophobicContact CD2-CG2 4.31Å; L160-V316 HydrophobicContact CG-CG2 4.12Å; S164-V316 WeakPolarHBondContact OG-CG2 3.14Å; F313-V316 HydrophobicContact CB-CB 4.38Å; F313-V316 HydrophobicContact CB-CG2 4.09Å; F313-V316 HydrophobicContact CD1-CG2 4.23Å; F313-V316 WeakPolarHBondContact O-CB 3.35Å; F313-V316 PolarHBondContact O-N 2.84Å; V316-W318 HydrophobicContact CB-CD2 4.5Å; V316-W318 HydrophobicContact CB-CZ2 4.36Å; V316-W318 HydrophobicContact CG1-CD2 3.71Å; V316-W318 HydrophobicContact CG1-CE3 4.05Å; V316-W318 HydrophobicContact CG1-CG 4.11Å; V316-W318 HydrophobicContact CG1-CH2 4.38Å; V316-W318 HydrophobicContact CG1-CZ2 4.06Å; V316-W318 HydrophobicContact CG1-CZ3 4.37Å; V316-W318 PolarHBondContact O-N 3.11Å; V316-V321 HydrophobicContact CG1-CG2 3.73Å
317	D	98	Very high	98	Very high	92 Å²	92	75 Å²	75	49%	0.492	35%	0.35	S	S	.	.			trans	-79.5	99.5	164	177.5	-9.3	0	0	0	108.1	E319 A320 V321	D317-E319 VanDerWaalsContact C-N 3.26Å; D317-E319 PolarHBondContact O-N 2.97Å; D317-E319 PolarHBondContact OD1-N 3.33Å; D317-E319 VanDerWaalsContact OD1-N 3.09Å; D317-A320 HydrophobicContact CB-CB 3.79Å; D317-A320 WeakPolarHBondContact O-CB 3.21Å; D317-A320 PolarHBondContact O-N 3.08Å; D317-A320 PolarHBondContact OD1-N 3.49Å; D317-A320 VanDerWaalsContact OD1-N 3.07Å; D317-A320 WeakPolarHBondContact OD2-CB 3.41Å; D317-V321 WeakPolarHBondContact O-CG2 3.41Å; D317-V321 PolarHBondContact O-N 3.24Å
318	W	98.3	Very high	97.9	Very high	37 Å²	37	76 Å²	76	14%	0.14	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.8	-175.9	-72.1	105.9	0	0	0	114	S164 V167 K308 F313 V316 V321 P322	S164-W318 WeakPolarHBondContact O-CZ3 3.48Å; V167-W318 HydrophobicContact CB-CH2 3.85Å; V167-W318 HydrophobicContact CB-CZ3 3.89Å; V167-W318 HydrophobicContact CG1-CH2 3.69Å; V167-W318 HydrophobicContact CG1-CZ3 3.7Å; V167-W318 HydrophobicContact CG2-CH2 4.25Å; K308-W318 HydrophobicContact CB-CD2 4.2Å; K308-W318 HydrophobicContact CB-CG 4.47Å; K308-W318 HydrophobicContact CB-CZ2 3.99Å; K308-W318 HydrophobicContact CD-CD2 4.04Å; K308-W318 HydrophobicContact CD-CE3 4.26Å; K308-W318 HydrophobicContact CD-CG 4.22Å; K308-W318 HydrophobicContact CG-CD2 3.75Å; K308-W318 HydrophobicContact CG-CE3 4.02Å; K308-W318 HydrophobicContact CG-CG 4.3Å; K308-W318 HydrophobicContact CG-CH2 4.08Å; K308-W318 HydrophobicContact CG-CZ2 3.8Å; K308-W318 HydrophobicContact CG-CZ3 4.18Å; K308-W318 PolarHBondContact O-NE1 2.95Å; F313-W318 HydrophobicContact CB-CZ2 3.67Å; F313-W318 AromaticContact CD1-CH2 3.84Å; F313-W318 HydrophobicContact CD1-CH2 3.84Å; F313-W318 AromaticContact CD1-CZ2 3.6Å; F313-W318 HydrophobicContact CD1-CZ2 3.6Å; F313-W318 HydrophobicContact CD2-CZ2 4.3Å; F313-W318 HydrophobicContact CE1-CH2 4.1Å; F313-W318 HydrophobicContact CE1-CZ2 4.26Å; F313-W318 HydrophobicContact CG-CH2 4.29Å; F313-W318 AromaticContact CG-CZ2 3.63Å; F313-W318 HydrophobicContact CG-CZ2 3.63Å; V316-W318 HydrophobicContact CB-CD2 4.5Å; V316-W318 HydrophobicContact CB-CZ2 4.36Å; V316-W318 HydrophobicContact CG1-CD2 3.71Å; V316-W318 HydrophobicContact CG1-CE3 4.05Å; V316-W318 HydrophobicContact CG1-CG 4.11Å; V316-W318 HydrophobicContact CG1-CH2 4.38Å; V316-W318 HydrophobicContact CG1-CZ2 4.06Å; V316-W318 HydrophobicContact CG1-CZ3 4.37Å; V316-W318 PolarHBondContact O-N 3.11Å; W318-V321 HydrophobicContact CE3-CG2 4.25Å; W318-P322 WeakPolarHBondContact O-CD 3.48Å
319	E	97.4	Very high	97.9	Very high	148 Å²	148	76.5 Å²	76.5	69%	0.692	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-31.3	173.4	-56.1	-57.5	130.1	0	0	110.7	D317 L323	D317-E319 VanDerWaalsContact C-N 3.26Å; D317-E319 PolarHBondContact O-N 2.97Å; D317-E319 PolarHBondContact OD1-N 3.33Å; D317-E319 VanDerWaalsContact OD1-N 3.09Å; E319-L323 WeakPolarHBondContact O-CD1 3.41Å; E319-L323 WeakPolarHBondContact O-CG 3.34Å
320	A	98.1	Very high	97.8	Very high	6 Å²	6	70.3 Å²	70.3	5%	0.05	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.6	173.8	0	0	0	0	0	114	D317 R324 K325 L326	D317-A320 HydrophobicContact CB-CB 3.79Å; D317-A320 WeakPolarHBondContact O-CB 3.21Å; D317-A320 PolarHBondContact O-N 3.08Å; D317-A320 PolarHBondContact OD1-N 3.49Å; D317-A320 VanDerWaalsContact OD1-N 3.07Å; D317-A320 WeakPolarHBondContact OD2-CB 3.41Å; A320-R324 PolarHBondContact O-N 3.14Å; A320-K325 HydrophobicContact CB-CB 3.9Å; A320-K325 HydrophobicContact CB-CD 4.49Å; A320-K325 PolarHBondContact O-N 3.05Å; A320-L326 HydrophobicContact CB-CD2 3.94Å; A320-L326 HydrophobicContact CB-CG 4.43Å
321	V	98.4	Very high	97.7	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.012	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-65.7	-178.8	170.6	0	0	0	0	112.5	F118 E165 C168 V316 D317 W318 L323 R324 L326	F118-V321 HydrophobicContact CE2-CG1 3.78Å; F118-V321 HydrophobicContact CZ-CG1 4.29Å; F118-V321 VanDerWaalsContact CZ-O 3.27Å; F118-V321 WeakPolarHBondContact CZ-O 3.21Å; E165-V321 HydrophobicContact CG-CG1 4.49Å; C168-V321 HydrophobicContact CB-CG1 4.2Å; C168-V321 VanDerWaalsContact SG-CG1 3.53Å; V316-V321 HydrophobicContact CG1-CG2 3.73Å; D317-V321 WeakPolarHBondContact O-CG2 3.41Å; D317-V321 PolarHBondContact O-N 3.24Å; W318-V321 HydrophobicContact CE3-CG2 4.25Å; V321-L323 PolarHBondContact O-N 3.21Å; V321-L323 VanDerWaalsContact O-N 3.14Å; V321-R324 PolarHBondContact O-N 3.38Å; V321-L326 HydrophobicContact CG2-CD1 3.55Å; V321-L326 HydrophobicContact CG2-CG 4.3Å
322	P	97.6	Very high	97.6	Very high	47 Å²	47	66.6 Å²	66.6	31%	0.305	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.7	-178	29	-36.1	0	0	0	112.8	P117 W318 R324	P117-P322 WeakPolarHBondContact CG-O 3.42Å; W318-P322 WeakPolarHBondContact O-CD 3.48Å; P322-R324 PolarHBondContact O-N 2.9Å
323	L	97.9	Very high	97.4	Very high	106 Å²	106	74.6 Å²	74.6	56%	0.555	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	5.3	173.7	-60.3	-179.8	0	0	0	113.7	E319 V321 K325	E319-L323 WeakPolarHBondContact O-CD1 3.41Å; E319-L323 WeakPolarHBondContact O-CG 3.34Å; V321-L323 PolarHBondContact O-N 3.21Å; V321-L323 VanDerWaalsContact O-N 3.14Å; L323-K325 HydrophobicContact CB-CD 3.96Å; L323-K325 HydrophobicContact CB-CG 4.01Å; L323-K325 HydrophobicContact CD1-CD 4.29Å; L323-K325 VanDerWaalsContact CD1-NZ 3.35Å; L323-K325 PolarHBondContact O-N 3.3Å; L323-K325 VanDerWaalsContact O-N 3.15Å
324	R	98.1	Very high	97.3	Very high	59 Å²	59	76.5 Å²	76.5	22%	0.223	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	30.6	-179	-64	169.1	65.3	109.2	-4.3	113.6	F118 D191 E193 H195 A320 V321 P322	F118-R324 HydrophobicContact CE1-CG 4.06Å; F118-R324 HydrophobicContact CZ-CG 4.3Å; D191-R324 IonicContact OD1-NH2 3.74Å; D191-R324 PolarHBondContact OD1-NH2 3.23Å; D191-R324 IonicContact OD2-CZ 3.74Å; D191-R324 IonicContact OD2-NH1 2.78Å; D191-R324 PolarHBondContact OD2-NH1 3.26Å; D191-R324 IonicContact OD2-NH2 2.69Å; D191-R324 PolarHBondContact OD2-NH2 3.12Å; E193-R324 IonicContact OE2-CZ 2.72Å; E193-R324 IonicContact OE2-NE 3.75Å; E193-R324 PolarHBondContact OE2-NE 2.7Å; E193-R324 IonicContact OE2-NH2 2.6Å; E193-R324 PolarHBondContact OE2-NH2 2.6Å; H195-R324 PolarHBondContact CD2-NH2 3.3Å; H195-R324 VanDerWaalsContact CD2-NH2 3.32Å; A320-R324 PolarHBondContact O-N 3.14Å; V321-R324 PolarHBondContact O-N 3.38Å; P322-R324 PolarHBondContact O-N 2.9Å
325	K	97.3	Very high	97	Very high	150 Å²	150	72.1 Å²	72.1	65%	0.652	37%	0.373	S	S	*	.			trans	-86.8	-13.1	-177.9	-70.5	173.6	-179.1	172	0	113.7	A320 L323	A320-K325 HydrophobicContact CB-CB 3.9Å; A320-K325 HydrophobicContact CB-CD 4.49Å; A320-K325 PolarHBondContact O-N 3.05Å; L323-K325 HydrophobicContact CB-CD 3.96Å; L323-K325 HydrophobicContact CB-CG 4.01Å; L323-K325 HydrophobicContact CD1-CD 4.29Å; L323-K325 VanDerWaalsContact CD1-NZ 3.35Å; L323-K325 PolarHBondContact O-N 3.3Å; L323-K325 VanDerWaalsContact O-N 3.15Å
326	L	94.9	Very high	96.8	Very high	46 Å²	46	71.9 Å²	71.9	24%	0.241	36%	0.363	C	S	.	.	S	Bend	trans	-79.2	134.6	174.1	-58.7	-169	0	0	0	110.1	F161 H195 A320 V321 P328	F161-L326 HydrophobicContact CD2-CB 4.16Å; F161-L326 HydrophobicContact CE2-CB 3.72Å; H195-L326 PolarHBondContact CE1-O 3.42Å; A320-L326 HydrophobicContact CB-CD2 3.94Å; A320-L326 HydrophobicContact CB-CG 4.43Å; V321-L326 HydrophobicContact CG2-CD1 3.55Å; V321-L326 HydrophobicContact CG2-CG 4.3Å; L326-P328 WeakPolarHBondContact O-CD 3.39Å
327	K	97	Very high	96.4	Very high	188 Å²	188	77.3 Å²	77.3	82%	0.817	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-72.4	124	-179.3	-178.3	176.5	179.5	175.5	0	111.9	F161	F161-K327 WeakPolarHBondContact CE2-O 3.23Å
328	P	97.6	Very high	96	Very high	21 Å²	21	73.1 Å²	73.1	14%	0.136	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-60.6	141.4	177.8	-29.8	39.4	0	0	0	114.9	F161 E193 H195 L326	F161-P328 HydrophobicContact CE1-CB 4.41Å; F161-P328 HydrophobicContact CZ-CB 4.06Å; F161-P328 HydrophobicContact CZ-CG 3.93Å; E193-P328 WeakPolarHBondContact O-CG 3.23Å; H195-P328 WeakPolarHBondContact NE2-CG 3.46Å; L326-P328 WeakPolarHBondContact O-CD 3.39Å
329	P	97.9	Very high	95.7	Very high	45 Å²	45	72 Å²	72	29%	0.292	36%	0.363	S	S	.	.	S	Bend	trans	-86.9	-8.9	179.4	36.2	-37.7	0	0	0	113.4	T158 F161 Y162	T158-P329 HydrophobicContact CG2-CB 4.07Å; T158-P329 HydrophobicContact CG2-CG 3.88Å; F161-P329 HydrophobicContact CB-CG 4.04Å; F161-P329 HydrophobicContact CD1-CG 3.81Å; F161-P329 VanDerWaalsContact CG-CD 3.48Å; F161-P329 HydrophobicContact CG-CG 3.94Å; Y162-P329 HydrophobicContact CD2-CG 4.44Å; Y162-P329 HydrophobicContact CE2-CG 3.75Å
330	I	97.9	Very high	95.4	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.031	35%	0.346	C	S	.	.			trans	-137.9	123.9	171.5	-46.1	-173.1	0	0	0	105.5	Y147 F154 T158 Y162 L190 G194	Y147-I330 HydrophobicContact CD1-CD1 4.28Å; Y147-I330 HydrophobicContact CD1-CG2 3.65Å; Y147-I330 HydrophobicContact CE1-CG2 3.75Å; Y147-I330 HydrophobicContact CG-CD1 4.14Å; Y147-I330 HydrophobicContact CG-CG2 4.29Å; F154-I330 HydrophobicContact CE1-CD1 3.92Å; F154-I330 HydrophobicContact CZ-CD1 4.14Å; T158-I330 HydrophobicContact CG2-CD1 4.42Å; T158-I330 HydrophobicContact CG2-CG1 4.43Å; Y162-I330 HydrophobicContact CE2-CD1 4.07Å; Y162-I330 HydrophobicContact CE2-CG1 4.17Å; Y162-I330 VanDerWaalsContact OH-CB 3.32Å; Y162-I330 WeakPolarHBondContact OH-CB 3.34Å; Y162-I330 WeakPolarHBondContact OH-CG1 3.31Å; L190-I330 HydrophobicContact CD1-CB 4.22Å; L190-I330 HydrophobicContact CD1-CG2 4.29Å; G194-I330 VanDerWaalsContact CA-O 3.24Å; G194-I330 WeakPolarHBondContact CA-O 3.49Å
331	V	96.6	Very high	95.1	Very high	94 Å²	94	71.4 Å²	71.4	57%	0.57	37%	0.372	S	S	*	.			trans	-106.2	117.2	165.7	-176.3	0	0	0	0	105.8
332	P	95.8	Very high	94.6	Very high	9 Å²	9	73.2 Å²	73.2	6%	0.058	38%	0.382	C	S	.	.			trans	-56.5	154.6	176.3	-32.3	41.1	0	0	0	113.3	G141 Y147 L190 D191 V334	G141-P332 VanDerWaalsContact CA-CB 3.47Å; Y147-P332 WeakPolarHBondContact OH-CB 3.38Å; L190-P332 HydrophobicContact CB-CG 3.75Å; L190-P332 HydrophobicContact CD1-CG 4.29Å; D191-P332 WeakPolarHBondContact O-CD 3.41Å; D191-P332 WeakPolarHBondContact O-CG 3.48Å; P332-V334 HydrophobicContact CB-CG2 4.06Å; P332-V334 PolarHBondContact O-N 3.44Å
333	K	95	Very high	94	Very high	182 Å²	182	72.9 Å²	72.9	79%	0.791	38%	0.376	S	S	*	.			trans	-86.1	104.4	170.4	-71.2	-175.5	179.2	-179	0	108.2	N342	K333-N342 PolarHBondContact O-ND2 3.32Å
334	V	94.8	Very high	93.3	Very high	42 Å²	42	73.1 Å²	73.1	26%	0.255	38%	0.377	S	S	.	.			trans	-128.2	118.5	179.7	174.7	0	0	0	0	107.4	P140 P332 H336 D339	P140-V334 HydrophobicContact CB-CG1 3.98Å; P140-V334 HydrophobicContact CB-CG2 3.98Å; P140-V334 HydrophobicContact CG-CG1 4.01Å; P140-V334 HydrophobicContact CG-CG2 4.11Å; P332-V334 HydrophobicContact CB-CG2 4.06Å; P332-V334 PolarHBondContact O-N 3.44Å; V334-H336 VanDerWaalsContact CG1-O 3.24Å; V334-H336 WeakPolarHBondContact CG1-O 3.09Å; V334-D339 HydrophobicContact CG1-CB 4.18Å
335	S	93.3	Very high	92.4	Very high	95 Å²	95	79.1 Å²	79.1	66%	0.664	41%	0.41	S	S	*	.	S	Bend	trans	-86.3	-28.7	-178.7	63.5	0	0	0	0	113.2	D339	S335-D339 VanDerWaalsContact CB-OD2 3.31Å; S335-D339 WeakPolarHBondContact CB-OD2 3.48Å; S335-D339 PolarHBondContact N-OD2 3.2Å; S335-D339 PolarHBondContact OG-OD2 3.26Å
336	H	92.8	Very high	91.6	Very high	114 Å²	114	75 Å²	75	53%	0.528	39%	0.391	S	S	.	.	S	Bend	trans	-158.3	166.3	173.1	56.4	48	0	0	0	110.9	V334 G338 D339	V334-H336 VanDerWaalsContact CG1-O 3.24Å; V334-H336 WeakPolarHBondContact CG1-O 3.09Å; H336-G338 VanDerWaalsContact C-N 3.27Å; H336-G338 VanDerWaalsContact CE1-C 3.44Å; H336-G338 PolarHBondContact CE1-O 2.65Å; H336-G338 VanDerWaalsContact ND1-C 3.3Å; H336-G338 PolarHBondContact ND1-N 3.22Å; H336-G338 PolarHBondContact O-N 3.41Å; H336-G338 VanDerWaalsContact O-N 3.12Å; H336-D339 PolarHBondContact CE1-N 3.1Å; H336-D339 PolarHBondContact ND1-N 3.16Å; H336-D339 WeakPolarHBondContact O-CB 3.32Å; H336-D339 PolarHBondContact O-N 3.42Å
337	E	89.3	Confident	90.8	Very high	134 Å²	134	77.7 Å²	77.7	63%	0.626	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-35.3	-174.1	-64.2	178	169.3	0	0	114.7	F84 Y138	F84-E337 HydrophobicContact CD2-CB 3.55Å; F84-E337 HydrophobicContact CE2-CB 3.78Å; F84-E337 HydrophobicContact CG-CB 4.49Å; Y138-E337 WeakPolarHBondContact CD1-O 3.35Å; Y138-E337 WeakPolarHBondContact CE1-O 3.48Å
338	G	89.8	Confident	89.5	Confident	5 Å²	5	75.4 Å²	75.4	5%	0.052	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	28	176.1	0	0	0	0	0	115.1	L75 F84 H336 T340	L75-G338 WeakPolarHBondContact CD2-O 3.39Å; F84-G338 VanDerWaalsContact CD1-CA 3.49Å; H336-G338 VanDerWaalsContact C-N 3.27Å; H336-G338 VanDerWaalsContact CE1-C 3.44Å; H336-G338 PolarHBondContact CE1-O 2.65Å; H336-G338 VanDerWaalsContact ND1-C 3.3Å; H336-G338 PolarHBondContact ND1-N 3.22Å; H336-G338 PolarHBondContact O-N 3.41Å; H336-G338 VanDerWaalsContact O-N 3.12Å; G338-T340 PolarHBondContact O-N 3.46Å
339	D	91.4	Very high	88	Confident	14 Å²	14	79 Å²	79	8%	0.075	43%	0.426	C	S	.	.			trans	-79.2	116.5	-176.7	-173.7	-14	0	0	0	111.4	Y138 V334 S335 H336 S341	Y138-D339 PolarHBondContact OH-O 3.3Å; Y138-D339 VanDerWaalsContact OH-O 3.08Å; V334-D339 HydrophobicContact CG1-CB 4.18Å; S335-D339 VanDerWaalsContact CB-OD2 3.31Å; S335-D339 WeakPolarHBondContact CB-OD2 3.48Å; S335-D339 PolarHBondContact N-OD2 3.2Å; S335-D339 PolarHBondContact OG-OD2 3.26Å; H336-D339 PolarHBondContact CE1-N 3.1Å; H336-D339 PolarHBondContact ND1-N 3.16Å; H336-D339 WeakPolarHBondContact O-CB 3.32Å; H336-D339 PolarHBondContact O-N 3.42Å; D339-S341 WeakPolarHBondContact OD1-CB 3.34Å; D339-S341 PolarHBondContact OD1-N 2.91Å; D339-S341 PolarHBondContact OD1-OG 3.05Å; D339-S341 PolarHBondContact OD2-OG 2.98Å
340	T	91.5	Very high	86.5	Confident	54 Å²	54	80.9 Å²	80.9	33%	0.331	43%	0.434	S	S	.	.			trans	-92.1	1.4	-179	56.4	0	0	0	0	114.2	A63 V65 L75 G338 N342 F343	A63-T340 HydrophobicContact CB-CG2 4.15Å; V65-T340 HydrophobicContact CG1-CG2 3.68Å; L75-T340 HydrophobicContact CD2-CG2 3.53Å; G338-T340 PolarHBondContact O-N 3.46Å; T340-N342 PolarHBondContact O-N 3.49Å; T340-F343 WeakPolarHBondContact O-CB 3.18Å; T340-F343 PolarHBondContact O-N 3.41Å
341	S	91.5	Very high	84.9	Confident	86 Å²	86	82.4 Å²	82.4	60%	0.601	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.6	-171.7	61.7	0	0	0	0	115.8	D339	D339-S341 WeakPolarHBondContact OD1-CB 3.34Å; D339-S341 PolarHBondContact OD1-N 2.91Å; D339-S341 PolarHBondContact OD1-OG 3.05Å; D339-S341 PolarHBondContact OD2-OG 2.98Å
342	N	89.4	Confident	83.3	Confident	40 Å²	40	86.3 Å²	86.3	21%	0.214	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7.4	170.4	-56.1	-69.2	0	0	0	113.5	P140 G141 K333 T340	P140-N342 PolarHBondContact O-ND2 2.94Å; G141-N342 WeakPolarHBondContact O-CB 3.31Å; K333-N342 PolarHBondContact O-ND2 3.32Å; T340-N342 PolarHBondContact O-N 3.49Å
343	F	84.2	Confident	82.1	Confident	41 Å²	41	93.5 Å²	93.5	18%	0.18	48%	0.479	C	S	.	.	S	Bend	trans	-119.1	154.7	178.2	-65.1	-93.1	0	0	0	111.4	V65 Y138 V139 T340	V65-F343 HydrophobicContact CB-CD1 4.23Å; V65-F343 HydrophobicContact CB-CG 4.3Å; V65-F343 VanDerWaalsContact O-CD1 3.32Å; V65-F343 WeakPolarHBondContact O-CD1 3.42Å; Y138-F343 AromaticContact CE2-CE2 3.94Å; Y138-F343 HydrophobicContact CE2-CE2 3.94Å; Y138-F343 HydrophobicContact CE2-CZ 4.1Å; Y138-F343 AromaticContact CZ-CE2 3.88Å; Y138-F343 VanDerWaalsContact OH-CE2 3.27Å; Y138-F343 WeakPolarHBondContact OH-CE2 3.36Å; V139-F343 WeakPolarHBondContact O-CZ 3.25Å; T340-F343 WeakPolarHBondContact O-CB 3.18Å; T340-F343 PolarHBondContact O-N 3.41Å
344	D	83.5	Confident	81.2	Confident	110 Å²	110	87.2 Å²	87.2	59%	0.588	45%	0.454	S	S	*	.			trans	-68.2	146.3	171.2	-84.9	-23.6	0	0	0	111.4	Y346	D344-Y346 HydrophobicContact CB-CE2 4.13Å; D344-Y346 VanDerWaalsContact O-CD2 3.25Å; D344-Y346 WeakPolarHBondContact O-CD2 3.34Å; D344-Y346 WeakPolarHBondContact O-CE2 3.17Å; D344-Y346 PolarHBondContact O-N 3.37Å
345	M	78.4	Confident	80.9	Confident	186 Å²	186	89.9 Å²	89.9	92%	0.916	47%	0.472	S	S	*	.			trans	-82.4	108.7	173.2	-66.8	-164.3	-57	0	0	110.7
346	Y	80.3	Confident	80.9	Confident	63 Å²	63	88.5 Å²	88.5	25%	0.247	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-87.7	140.3	172.8	-58.8	-83.5	0	0	0	110.9	T64 T67 D344	T64-Y346 HydrophobicContact CG2-CD2 4.12Å; T64-Y346 HydrophobicContact CG2-CG 4.12Å; T67-Y346 HydrophobicContact CG2-CD1 3.49Å; T67-Y346 VanDerWaalsContact CG2-CD1 3.49Å; T67-Y346 HydrophobicContact CG2-CE1 3.94Å; T67-Y346 HydrophobicContact CG2-CG 3.91Å; T67-Y346 WeakPolarHBondContact OG1-CE1 3.39Å; D344-Y346 HydrophobicContact CB-CE2 4.13Å; D344-Y346 VanDerWaalsContact O-CD2 3.25Å; D344-Y346 WeakPolarHBondContact O-CD2 3.34Å; D344-Y346 WeakPolarHBondContact O-CE2 3.17Å; D344-Y346 PolarHBondContact O-N 3.37Å
347	P	77.9	Confident	81	Confident	102 Å²	102	83.9 Å²	83.9	66%	0.662	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-66.2	136.8	174.7	28.2	-34	0	0	0	110.4	R72	R72-P347 VanDerWaalsContact CZ-O 3.31Å; R72-P347 PolarHBondContact NH1-O 2.89Å; R72-P347 PolarHBondContact NH2-O 3.1Å
348	D	70.6	Confident	81.3	Confident	141 Å²	141	80.5 Å²	80.5	75%	0.754	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-61.2	139.6	168.1	-72	-38.3	0	0	0	110.2
349	D	67.1	Low	81.5	Confident	97 Å²	97	85.4 Å²	85.4	52%	0.519	46%	0.461	S	S	.	.			trans	-140.3	136.9	-173.3	-174.1	0.7	0	0	0	108.6	R72 W351	R72-D349 IonicContact NH2-OD2 2.67Å; D349-W351 PolarHBondContact O-N 3.01Å; D349-W351 PolarHBondContact OD2-NE1 3.3Å
350	D	64.4	Low	81.6	Confident	83 Å²	83	91.6 Å²	91.6	44%	0.444	49%	0.488	S	S	.	.			trans	-90.5	52.8	-159.5	-160.4	-0.6	0	0	0	111.6	K352 K353	D350-K352 PolarHBondContact O-N 3.12Å; D350-K353 HydrophobicContact CB-CD 4.15Å; D350-K353 WeakPolarHBondContact O-CB 3.46Å; D350-K353 PolarHBondContact O-N 3.5Å; D350-K353 WeakPolarHBondContact OD2-CE 3.43Å; D350-K353 IonicContact OD2-NZ 2.63Å; D350-K353 PolarHBondContact OD2-NZ 2.86Å
351	W	64.9	Low	81.8	Confident	38 Å²	38	90.1 Å²	90.1	14%	0.144	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-58.5	-16.2	-175.6	-75.6	19.6	0	0	0	113.5	R72 K91 F131 D349 K353 D354	R72-W351 HydrophobicContact CG-CE3 4.45Å; R72-W351 HydrophobicContact CG-CH2 3.98Å; R72-W351 HydrophobicContact CG-CZ2 4.21Å; R72-W351 HydrophobicContact CG-CZ3 4.1Å; K91-W351 HydrophobicContact CD-CE3 4.29Å; K91-W351 HydrophobicContact CD-CZ3 4.27Å; K91-W351 VanDerWaalsContact CE-CE2 3.49Å; K91-W351 VanDerWaalsContact CE-CZ3 3.47Å; K91-W351 HydrophobicContact CG-CE3 4.13Å; K91-W351 HydrophobicContact CG-CZ3 4.01Å; F131-W351 HydrophobicContact CE1-CE3 4.18Å; F131-W351 HydrophobicContact CZ-CB 4.25Å; D349-W351 PolarHBondContact O-N 3.01Å; D349-W351 PolarHBondContact OD2-NE1 3.3Å; W351-K353 PolarHBondContact O-N 2.82Å; W351-K353 VanDerWaalsContact O-N 3.1Å; W351-D354 PolarHBondContact O-N 3.1Å; W351-D354 VanDerWaalsContact O-N 3.16Å
352	K	62.6	Low	81.9	Confident	176 Å²	176	87.9 Å²	87.9	77%	0.765	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-62.3	-13.6	172.7	-62.5	-176.7	-179.5	-179.8	0	113.3	R130 D350	R130-K352 PolarHBondContact NH1-O 2.87Å; D350-K352 PolarHBondContact O-N 3.12Å
353	K	71.9	Confident	82.1	Confident	160 Å²	160	91.1 Å²	91.1	70%	0.696	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-80.9	-14.6	175.4	-73.5	169.6	170.1	153.7	0	114.8	D350 W351	D350-K353 HydrophobicContact CB-CD 4.15Å; D350-K353 WeakPolarHBondContact O-CB 3.46Å; D350-K353 PolarHBondContact O-N 3.5Å; D350-K353 WeakPolarHBondContact OD2-CE 3.43Å; D350-K353 IonicContact OD2-NZ 2.63Å; D350-K353 PolarHBondContact OD2-NZ 2.86Å; W351-K353 PolarHBondContact O-N 2.82Å; W351-K353 VanDerWaalsContact O-N 3.1Å
354	D	76	Confident	82.5	Confident	51 Å²	51	92.5 Å²	92.5	27%	0.273	48%	0.481	S	S	.	.	S	Bend	trans	-63.9	140	177	-75.3	-45.3	0	0	0	110.9	K91 R130 W351	K91-D354 WeakPolarHBondContact CD-OD2 3.28Å; K91-D354 WeakPolarHBondContact CE-OD2 3.48Å; K91-D354 IonicContact NZ-OD2 3.33Å; K91-D354 PolarHBondContact NZ-OD2 2.85Å; R130-D354 WeakPolarHBondContact CD-O 3.22Å; R130-D354 PolarHBondContact NH1-O 2.88Å; W351-D354 PolarHBondContact O-N 3.1Å; W351-D354 VanDerWaalsContact O-N 3.16Å
355	P	87.9	Confident	83	Confident	98 Å²	98	87.2 Å²	87.2	64%	0.636	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-74.3	154.3	-179.9	31	-35.4	0	0	0	111.8
356	P	93.2	Very high	83.5	Confident	66 Å²	66	83.8 Å²	83.8	43%	0.429	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-53.9	143.7	169.9	-26.4	36.5	0	0	0	113.1	D129	D129-P356 HydrophobicContact CB-CB 4.04Å; D129-P356 CarbonylContact O-C 3.45Å; D129-P356 VanDerWaalsContact O-CA 3.3Å; D129-P356 WeakPolarHBondContact O-CA 3.37Å; D129-P356 WeakPolarHBondContact OD2-CG 3.25Å
357	V	94.4	Very high	83.8	Confident	16 Å²	16	86.9 Å²	86.9	10%	0.097	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-78.6	152.5	173.4	-69.4	0	0	0	0	111.4	I92 D129 D361 L362	I92-V357 HydrophobicContact CB-CG1 4.25Å; I92-V357 HydrophobicContact CB-CG2 4.1Å; I92-V357 HydrophobicContact CD1-CG2 4.24Å; I92-V357 HydrophobicContact CG2-CB 4.5Å; I92-V357 HydrophobicContact CG2-CG1 4.26Å; I92-V357 HydrophobicContact CG2-CG2 3.82Å; D129-V357 WeakPolarHBondContact O-CG2 3.49Å; D129-V357 PolarHBondContact O-N 2.83Å; V357-D361 HydrophobicContact CB-CB 4.29Å; V357-L362 HydrophobicContact CG2-CD2 3.36Å; V357-L362 HydrophobicContact CG2-CG 3.79Å
358	P	95.4	Very high	84.4	Confident	63 Å²	63	82.7 Å²	82.7	41%	0.409	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-55.6	147.8	176.6	-27.3	35.2	0	0	0	113.4	K360 D361 L362	P358-K360 HydrophobicContact CB-CG 3.83Å; P358-K360 PolarHBondContact O-N 3.32Å; P358-K360 VanDerWaalsContact O-N 3.09Å; P358-D361 WeakPolarHBondContact CD-OD2 3.09Å; P358-D361 WeakPolarHBondContact CG-OD2 3.42Å; P358-D361 WeakPolarHBondContact O-CA 3.34Å; P358-D361 WeakPolarHBondContact O-CB 3.47Å; P358-D361 PolarHBondContact O-N 3.36Å; P358-L362 PolarHBondContact O-N 2.87Å
359	P	94.6	Very high	85	Confident	109 Å²	109	79.8 Å²	79.8	71%	0.708	41%	0.409	S	S	*	.	H	α-helix	trans	-55.9	-32.4	-179.5	-29	36	0	0	0	115.1	D361 L362 E363	P359-D361 PolarHBondContact O-N 2.91Å; P359-L362 PolarHBondContact O-N 3.48Å; P359-E363 PolarHBondContact O-N 2.77Å; P359-E363 VanDerWaalsContact O-N 3.09Å
360	K	94.6	Very high	86	Confident	144 Å²	144	78.9 Å²	78.9	63%	0.626	40%	0.403	S	S	*	.	H	α-helix	trans	-60.2	-25.7	173.2	57.8	157.7	-172.1	90.4	0	114.1	P358	P358-K360 HydrophobicContact CB-CG 3.83Å; P358-K360 PolarHBondContact O-N 3.32Å; P358-K360 VanDerWaalsContact O-N 3.09Å
361	D	94.4	Very high	87.2	Confident	23 Å²	23	78.7 Å²	78.7	12%	0.123	40%	0.4	C	S	.	.	H	α-helix	trans	-93.6	-27.9	-176.5	-63	-26.6	0	0	0	110.4	I96 V357 P358 P359	I96-D361 HydrophobicContact CD1-CB 3.62Å; V357-D361 HydrophobicContact CB-CB 4.29Å; P358-D361 WeakPolarHBondContact CD-OD2 3.09Å; P358-D361 WeakPolarHBondContact CG-OD2 3.42Å; P358-D361 WeakPolarHBondContact O-CA 3.34Å; P358-D361 WeakPolarHBondContact O-CB 3.47Å; P358-D361 PolarHBondContact O-N 3.36Å; P359-D361 PolarHBondContact O-N 2.91Å
362	L	93.3	Very high	88.5	Confident	39 Å²	39	81.1 Å²	81.1	20%	0.204	42%	0.416	C	S	.	.	H	α-helix	trans	-68.6	-35.6	167.6	-64.5	177.2	0	0	0	112.7	I92 V357 P358 P359 I364 F365 K366	I92-L362 HydrophobicContact CD1-CD2 3.7Å; V357-L362 HydrophobicContact CG2-CD2 3.36Å; V357-L362 HydrophobicContact CG2-CG 3.79Å; P358-L362 PolarHBondContact O-N 2.87Å; P359-L362 PolarHBondContact O-N 3.48Å; L362-I364 PolarHBondContact O-N 3.27Å; L362-I364 VanDerWaalsContact O-N 3.11Å; L362-F365 CarbonylContact O-C 3.56Å; L362-F365 WeakPolarHBondContact O-CA 3.32Å; L362-F365 PolarHBondContact O-N 3.41Å; L362-K366 PolarHBondContact O-N 3.37Å; L362-K366 VanDerWaalsContact O-N 3.16Å
363	E	93.8	Very high	90.1	Very high	108 Å²	108	75.1 Å²	75.1	51%	0.505	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.2	179	-179.4	64.3	-170.6	0	0	112.8	P359 F365 K366	P359-E363 PolarHBondContact O-N 2.77Å; P359-E363 VanDerWaalsContact O-N 3.09Å; E363-F365 PolarHBondContact O-N 3.21Å; E363-K366 WeakPolarHBondContact O-CD 3.44Å; E363-K366 WeakPolarHBondContact OE1-CD 3.29Å; E363-K366 IonicContact OE1-NZ 2.77Å; E363-K366 PolarHBondContact OE1-NZ 3.09Å; E363-K366 WeakPolarHBondContact OE2-CD 3.39Å
364	I	93.2	Very high	91.3	Very high	69 Å²	69	69.5 Å²	69.5	35%	0.354	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.5	174.1	-55.3	172.3	0	0	0	111.7	I96 E101 H105 L362	I96-I364 HydrophobicContact CD1-CD1 3.93Å; I96-I364 HydrophobicContact CG1-CD1 4.31Å; E101-I364 HydrophobicContact CB-CG2 4.07Å; E101-I364 HydrophobicContact CG-CG2 4.15Å; H105-I364 PolarHBondContact NE2-O 3.43Å; L362-I364 PolarHBondContact O-N 3.27Å; L362-I364 VanDerWaalsContact O-N 3.11Å
365	F	94.1	Very high	92.4	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	7.8	-173	-62.9	-75.4	0	0	0	114.2	I92 V95 I96 E101 H105 H127 L132 L362 E363 N367 F368	I92-F365 HydrophobicContact CG2-CD2 3.82Å; I92-F365 HydrophobicContact CG2-CE2 3.82Å; V95-F365 HydrophobicContact CG1-CE1 4.46Å; V95-F365 HydrophobicContact CG1-CZ 3.84Å; I96-F365 HydrophobicContact CD1-CE2 4.1Å; I96-F365 HydrophobicContact CG1-CE2 4Å; E101-F365 HydrophobicContact CB-CE1 4.24Å; E101-F365 HydrophobicContact CB-CZ 3.71Å; E101-F365 HydrophobicContact CG-CE2 4.29Å; E101-F365 HydrophobicContact CG-CZ 3.76Å; H105-F365 AromaticContact CE1-CD1 3.71Å; H105-F365 AromaticContact NE2-CD1 3.49Å; H105-F365 WeakPolarHBondContact NE2-CD1 3.43Å; H105-F365 AromaticContact NE2-CE1 3.73Å; H127-F365 PolarHBondContact CD2-O 3.47Å; H127-F365 PolarHBondContact NE2-O 2.86Å; L132-F365 HydrophobicContact CD1-CD1 3.58Å; L132-F365 HydrophobicContact CD1-CE1 3.52Å; L132-F365 HydrophobicContact CD1-CG 4.15Å; L132-F365 HydrophobicContact CD1-CZ 4.03Å; L132-F365 HydrophobicContact CD2-CB 3.74Å; L132-F365 HydrophobicContact CD2-CD1 3.79Å; L132-F365 HydrophobicContact CD2-CD2 4.35Å; L132-F365 HydrophobicContact CD2-CG 3.69Å; L132-F365 HydrophobicContact CG-CD1 4.35Å; L362-F365 CarbonylContact O-C 3.56Å; L362-F365 WeakPolarHBondContact O-CA 3.32Å; L362-F365 PolarHBondContact O-N 3.41Å; E363-F365 PolarHBondContact O-N 3.21Å; F365-N367 PolarHBondContact O-N 3Å; F365-F368 HydrophobicContact CB-CB 4.16Å; F365-F368 HydrophobicContact CD1-CD2 4.46Å; F365-F368 WeakPolarHBondContact O-CB 3.5Å; F365-F368 PolarHBondContact O-N 2.96Å
366	K	90.1	Very high	92.8	Very high	114 Å²	114	68.7 Å²	68.7	50%	0.496	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-16.1	-179.8	73.8	-171.3	-178.5	179.3	0	116.9	L362 E363	L362-K366 PolarHBondContact O-N 3.37Å; L362-K366 VanDerWaalsContact O-N 3.16Å; E363-K366 WeakPolarHBondContact O-CD 3.44Å; E363-K366 WeakPolarHBondContact OE1-CD 3.29Å; E363-K366 IonicContact OE1-NZ 2.77Å; E363-K366 PolarHBondContact OE1-NZ 3.09Å; E363-K366 WeakPolarHBondContact OE2-CD 3.39Å
367	N	85.9	Confident	92.7	Very high	127 Å²	127	68.9 Å²	68.9	68%	0.679	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	11.6	178.5	-68.1	-18.1	0	0	0	112.2	K108 F365	K108-N367 PolarHBondContact NZ-O 3.02Å; F365-N367 PolarHBondContact O-N 3Å
368	F	89.1	Confident	92.6	Very high	15 Å²	15	73.7 Å²	73.7	7%	0.066	38%	0.379	C	S	.	.			trans	-81.5	0	-179	-171.3	-87.6	0	0	0	112.2	M90 V104 K108 T125 H126 H127 L132 Y133 M134 F365	M90-F368 HydrophobicContact CE-CZ 4.43Å; V104-F368 HydrophobicContact CG1-CD2 4.33Å; V104-F368 HydrophobicContact CG1-CE2 3.58Å; V104-F368 HydrophobicContact CG1-CZ 4.21Å; K108-F368 HydrophobicContact CB-CE2 4.16Å; K108-F368 HydrophobicContact CD-CD2 4.06Å; K108-F368 HydrophobicContact CD-CE2 4.26Å; K108-F368 HydrophobicContact CD-CG 4.49Å; K108-F368 WeakPolarHBondContact CD-OXT 3.06Å; K108-F368 WeakPolarHBondContact CE-OXT 3.31Å; K108-F368 PolarHBondContact NZ-OXT 3.18Å; T125-F368 WeakPolarHBondContact CB-OXT 3.33Å; T125-F368 PolarHBondContact OG1-OXT 3.24Å; H126-F368 WeakPolarHBondContact O-CD1 3.49Å; H126-F368 WeakPolarHBondContact O-CE1 3.34Å; H127-F368 HydrophobicContact CB-CD1 4.41Å; L132-F368 HydrophobicContact CB-CD1 4.09Å; L132-F368 HydrophobicContact CB-CE1 3.68Å; L132-F368 HydrophobicContact CB-CZ 3.93Å; L132-F368 HydrophobicContact CD1-CE2 4.49Å; L132-F368 HydrophobicContact CD2-CB 4.45Å; L132-F368 HydrophobicContact CD2-CD1 3.96Å; L132-F368 HydrophobicContact CD2-CE1 4.41Å; L132-F368 HydrophobicContact CD2-CG 4.07Å; Y133-F368 WeakPolarHBondContact O-CE1 3.41Å; M134-F368 HydrophobicContact CE-CE2 3.77Å; M134-F368 HydrophobicContact CE-CZ 3.61Å; M134-F368 HydrophobicContact CG-CE1 4.47Å; M134-F368 HydrophobicContact CG-CZ 3.85Å; F365-F368 HydrophobicContact CB-CB 4.16Å; F365-F368 HydrophobicContact CD1-CD2 4.46Å; F365-F368 WeakPolarHBondContact O-CB 3.5Å; F365-F368 PolarHBondContact O-N 2.96Å

Retrieved 368 of 368 residues in 2577.2 ms (Link to these results)

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