A0A077ZET8_TRITR Loading...

DUF1328 and Patatin and BON domain containing pro tein

AlphaFold DB , UniProt , Accession A0A077ZET8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 564 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	48.2	Very low	38.2	Very low	233 Å²	233	121.5 Å²	121.5	100%	1.148	80%	0.803	S	S	*	*				0	91.6	0	-61.8	-163.6	-171.2	0	0	106.4
2	L	34.2	Very low	38.2	Very low	153 Å²	153	130.9 Å²	130.9	80%	0.801	81%	0.813	S	S	*	*				57.7	99.1	93.1	-90.2	135.4	0	0	0	110.6
3	T	34.2	Very low	38.2	Very low	118 Å²	118	128.8 Å²	128.8	72%	0.724	82%	0.816	S	S	*	*				76.3	140.1	102.1	51.5	0	0	0	0	112.6
4	S	38.4	Very low	37.7	Very low	103 Å²	103	132.9 Å²	132.9	72%	0.72	82%	0.82	S	S	*	*			cis	172.9	165.5	-3	42.6	0	0	0	0	106.2
5	A	40.5	Very low	37.9	Very low	88 Å²	88	134.5 Å²	134.5	73%	0.727	82%	0.821	S	S	*	*			trans	86.1	149.6	142.5	0	0	0	0	0	119.6
6	V	38.4	Very low	38.2	Very low	134 Å²	134	135.2 Å²	135.2	81%	0.812	82%	0.818	S	S	*	*			cis	-176.1	157.4	-13.7	142.6	0	0	0	0	105.1
7	A	39.6	Very low	38.3	Very low	80 Å²	80	131.9 Å²	131.9	66%	0.661	81%	0.809	S	S	*	*			trans	76.4	140.2	155.3	0	0	0	0	0	118.4
8	T	36.3	Very low	38.5	Very low	144 Å²	144	134.7 Å²	134.7	88%	0.883	81%	0.811	S	S	*	*			cis	-168.2	154.2	19.2	10.3	0	0	0	0	109.6
9	G	40.4	Very low	38.6	Very low	81 Å²	81	132.9 Å²	132.9	84%	0.835	80%	0.801	S	S	*	*			trans	-179.7	89.6	165.6	0	0	0	0	0	113.2
10	S	35	Very low	38.8	Very low	123 Å²	123	130.9 Å²	130.9	86%	0.86	79%	0.789	S	S	*	*			trans	-91.7	138.4	175.4	-56.4	0	0	0	0	111.8
11	A	35.3	Very low	39	Very low	80 Å²	80	130.7 Å²	130.7	66%	0.661	78%	0.784	S	S	*	*			trans	167.3	150.8	136.1	0	0	0	0	0	111.2
12	Y	37.7	Very low	38.8	Very low	234 Å²	234	126.4 Å²	126.4	92%	0.918	76%	0.761	S	S	*	*			trans	91.2	92.8	173	-55.9	-78.3	0	0	0	118
13	A	38.4	Very low	39.7	Very low	104 Å²	104	121.6 Å²	121.6	86%	0.86	74%	0.74	S	S	*	*				154.2	75.6	117.6	0	0	0	0	0	113
14	E	31.9	Very low	40.4	Very low	186 Å²	186	118.4 Å²	118.4	87%	0.869	73%	0.726	S	S	*	*			trans	-82.2	119.9	152.1	-78	175.1	143.1	0	0	107.7
15	N	40.2	Very low	41.1	Very low	156 Å²	156	115.1 Å²	115.1	83%	0.834	71%	0.709	S	S	*	*			trans	177.5	7.6	154.6	-96.8	-21.9	0	0	0	118
16	N	42.1	Very low	41.9	Very low	146 Å²	146	117.1 Å²	117.1	78%	0.781	70%	0.703	S	S	*	*			trans	-113.8	15.5	-172.1	-82	-21.1	0	0	0	117.3
17	A	41.2	Very low	42.7	Very low	80 Å²	80	117.4 Å²	117.4	66%	0.661	69%	0.693	S	S	*	*	S	Bend	trans	-98.7	-11.1	-175	0	0	0	0	0	115.9
18	Q	41.5	Very low	43.4	Very low	181 Å²	181	117.4 Å²	117.4	85%	0.846	69%	0.685	S	S	*	*	S	Bend	trans	-94.8	-25.8	-178.2	-93	173.3	-44.5	0	0	114.3	T20	Q18-T20 PolarHBondContact O-N 2.8Å
19	T	39.7	Very low	44.6	Very low	102 Å²	102	115.2 Å²	115.2	63%	0.626	67%	0.668	S	S	*	*	H	α-helix	trans	-79.5	-15.6	-176.1	-16.2	0	0	0	0	114
20	T	42.8	Very low	45.4	Very low	91 Å²	91	114.7 Å²	114.7	56%	0.558	65%	0.651	S	S	*	*	H	α-helix	trans	-82.9	-23.1	-177.6	42.2	0	0	0	0	113.7	Q18	Q18-T20 PolarHBondContact O-N 2.8Å
21	N	43.9	Very low	46.4	Very low	128 Å²	128	112 Å²	112	68%	0.684	63%	0.633	S	S	*	*	H	α-helix	trans	-81.4	-32.1	-178.7	-82	-11.8	0	0	0	113.7	S23 A24 G25	N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 3.28Å; N21-A24 PolarHBondContact O-N 3.05Å; N21-G25 PolarHBondContact O-N 3.34Å
22	E	42.7	Very low	47.3	Very low	143 Å²	143	114.1 Å²	114.1	67%	0.668	63%	0.63	S	S	*	*	H	α-helix	trans	-67.6	-33.4	176.8	-66.5	-172.9	162.3	0	0	112.3	A24 G25 Q26	E22-A24 PolarHBondContact O-N 2.74Å; E22-G25 PolarHBondContact O-N 2.76Å; E22-Q26 WeakPolarHBondContact O-CG 3.2Å; E22-Q26 PolarHBondContact O-N 3.4Å; E22-Q26 VanDerWaalsContact O-N 3.14Å
23	S	53.7	Low	48.2	Very low	51 Å²	51	108.2 Å²	108.2	36%	0.357	62%	0.615	S	S	.	*	H	α-helix	trans	-69.1	-31.3	176.5	-171.8	0	0	0	0	113.1	N21 K27	N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 3.28Å; S23-K27 WeakPolarHBondContact O-CB 3.46Å; S23-K27 VanDerWaalsContact O-CG 3.28Å; S23-K27 WeakPolarHBondContact O-CG 3.29Å; S23-K27 PolarHBondContact O-N 2.9Å
24	A	48.1	Very low	49.1	Very low	51 Å²	51	110.6 Å²	110.6	42%	0.421	61%	0.606	S	S	.	*	H	α-helix	trans	-70.3	-45	176.4	0	0	0	0	0	111.1	N21 E22 K27 V28	N21-A24 PolarHBondContact O-N 3.05Å; E22-A24 PolarHBondContact O-N 2.74Å; A24-K27 PolarHBondContact O-N 3.09Å; A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 3.41Å
25	G	53.1	Low	49.8	Very low	35 Å²	35	106.1 Å²	106.1	36%	0.361	59%	0.591	S	S	.	*	H	α-helix	trans	-60.3	-48.5	176.6	0	0	0	0	0	112.8	N21 E22 K27 V28 D29	N21-G25 PolarHBondContact O-N 3.34Å; E22-G25 PolarHBondContact O-N 2.76Å; G25-K27 VanDerWaalsContact C-N 3.3Å; G25-K27 PolarHBondContact O-N 3.04Å; G25-V28 PolarHBondContact O-N 3.31Å; G25-V28 VanDerWaalsContact O-N 3.09Å; G25-D29 PolarHBondContact O-N 3.43Å
26	Q	58.6	Low	50.2	Low	130 Å²	130	100.4 Å²	100.4	61%	0.607	57%	0.569	S	S	*	*	H	α-helix	trans	-61.7	-34.6	178.2	-72.8	176.5	-13	0	0	113.2	E22 S30	E22-Q26 WeakPolarHBondContact O-CG 3.2Å; E22-Q26 PolarHBondContact O-N 3.4Å; E22-Q26 VanDerWaalsContact O-N 3.14Å; Q26-S30 VanDerWaalsContact O-CB 3.25Å; Q26-S30 WeakPolarHBondContact O-CB 3.3Å; Q26-S30 PolarHBondContact O-N 3.25Å; Q26-S30 PolarHBondContact O-OG 2.9Å
27	K	55.1	Low	51	Low	139 Å²	139	96.8 Å²	96.8	60%	0.604	55%	0.549	S	S	*	.	H	α-helix	trans	-70.8	-35.6	174.9	-76.1	177.1	-176.2	175.8	0	112.4	S23 A24 G25 S31	S23-K27 WeakPolarHBondContact O-CB 3.46Å; S23-K27 VanDerWaalsContact O-CG 3.28Å; S23-K27 WeakPolarHBondContact O-CG 3.29Å; S23-K27 PolarHBondContact O-N 2.9Å; A24-K27 PolarHBondContact O-N 3.09Å; G25-K27 VanDerWaalsContact C-N 3.3Å; G25-K27 PolarHBondContact O-N 3.04Å; K27-S31 WeakPolarHBondContact O-CB 3.3Å; K27-S31 PolarHBondContact O-N 3.46Å; K27-S31 PolarHBondContact O-OG 2.75Å
28	V	54.7	Low	51.4	Low	81 Å²	81	98.8 Å²	98.8	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-67.4	-48.7	174.8	172.7	0	0	0	0	110.4	A24 G25 S30 S31 M32	A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 3.41Å; G25-V28 PolarHBondContact O-N 3.31Å; G25-V28 VanDerWaalsContact O-N 3.09Å; V28-S30 VanDerWaalsContact C-N 3.35Å; V28-S30 PolarHBondContact O-N 3.35Å; V28-S31 CarbonylContact O-C 3.45Å; V28-S31 WeakPolarHBondContact O-CA 3.13Å; V28-S31 WeakPolarHBondContact O-CB 3.44Å; V28-S31 PolarHBondContact O-N 3.21Å; V28-M32 HydrophobicContact CG1-CG 4.37Å; V28-M32 HydrophobicContact CG1-SD 4.06Å; V28-M32 WeakPolarHBondContact O-CG 3.47Å; V28-M32 PolarHBondContact O-N 2.87Å
29	D	61.3	Low	51.9	Low	98 Å²	98	96.7 Å²	96.7	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-42.3	177.5	-71.9	-19.1	0	0	0	111.9	G25 S31 M32 N33	G25-D29 PolarHBondContact O-N 3.43Å; D29-S31 PolarHBondContact O-N 2.88Å; D29-M32 PolarHBondContact O-N 2.86Å; D29-N33 WeakPolarHBondContact O-CB 3.35Å; D29-N33 PolarHBondContact O-N 2.87Å; D29-N33 PolarHBondContact O-ND2 3.37Å
30	S	56.9	Low	53.6	Low	69 Å²	69	95.4 Å²	95.4	48%	0.483	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-34.8	174.4	-61.5	0	0	0	0	112.2	Q26 V28 K34	Q26-S30 VanDerWaalsContact O-CB 3.25Å; Q26-S30 WeakPolarHBondContact O-CB 3.3Å; Q26-S30 PolarHBondContact O-N 3.25Å; Q26-S30 PolarHBondContact O-OG 2.9Å; V28-S30 VanDerWaalsContact C-N 3.35Å; V28-S30 PolarHBondContact O-N 3.35Å; S30-K34 WeakPolarHBondContact O-CB 3.45Å; S30-K34 WeakPolarHBondContact O-CG 3.42Å; S30-K34 PolarHBondContact O-N 3.31Å; S30-K34 VanDerWaalsContact O-N 3.13Å
31	S	56.6	Low	55.5	Low	68 Å²	68	91.4 Å²	91.4	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-76.3	-41.6	178.1	-58.6	0	0	0	0	111.5	K27 V28 D29 K34 V35	K27-S31 WeakPolarHBondContact O-CB 3.3Å; K27-S31 PolarHBondContact O-N 3.46Å; K27-S31 PolarHBondContact O-OG 2.75Å; V28-S31 CarbonylContact O-C 3.45Å; V28-S31 WeakPolarHBondContact O-CA 3.13Å; V28-S31 WeakPolarHBondContact O-CB 3.44Å; V28-S31 PolarHBondContact O-N 3.21Å; D29-S31 PolarHBondContact O-N 2.88Å; S31-K34 WeakPolarHBondContact O-CB 3.4Å; S31-K34 PolarHBondContact O-N 3.28Å; S31-V35 WeakPolarHBondContact O-CG2 3.37Å; S31-V35 PolarHBondContact O-N 3.31Å
32	M	53.4	Low	57.2	Low	124 Å²	124	87.9 Å²	87.9	61%	0.611	49%	0.485	S	S	*	.	H	α-helix	trans	-64.8	-42	176	-72.4	-176.6	68.5	0	0	111.7	V28 D29 K34 V35 G36	V28-M32 HydrophobicContact CG1-CG 4.37Å; V28-M32 HydrophobicContact CG1-SD 4.06Å; V28-M32 WeakPolarHBondContact O-CG 3.47Å; V28-M32 PolarHBondContact O-N 2.87Å; D29-M32 PolarHBondContact O-N 2.86Å; M32-K34 VanDerWaalsContact C-N 3.33Å; M32-K34 PolarHBondContact O-N 3.34Å; M32-V35 PolarHBondContact O-N 3.4Å; M32-G36 PolarHBondContact O-N 3.07Å
33	N	57.2	Low	59.1	Low	109 Å²	109	83.4 Å²	83.4	58%	0.583	47%	0.473	S	S	*	.	H	α-helix	trans	-63.5	-37.8	173.3	-74.8	-23.2	0	0	0	112	D29 N37	D29-N33 WeakPolarHBondContact O-CB 3.35Å; D29-N33 PolarHBondContact O-N 2.87Å; D29-N33 PolarHBondContact O-ND2 3.37Å; N33-N37 WeakPolarHBondContact O-CB 3.34Å; N33-N37 VanDerWaalsContact O-CG 3.25Å; N33-N37 PolarHBondContact O-N 3.01Å; N33-N37 PolarHBondContact O-ND2 3.36Å
34	K	56.2	Low	60.7	Low	155 Å²	155	81.4 Å²	81.4	67%	0.674	46%	0.458	S	S	*	.	H	α-helix	trans	-64.5	-40.2	172.4	-83.5	-178.6	179.2	-175.7	0	112.5	S30 S31 M32 F38	S30-K34 WeakPolarHBondContact O-CB 3.45Å; S30-K34 WeakPolarHBondContact O-CG 3.42Å; S30-K34 PolarHBondContact O-N 3.31Å; S30-K34 VanDerWaalsContact O-N 3.13Å; S31-K34 WeakPolarHBondContact O-CB 3.4Å; S31-K34 PolarHBondContact O-N 3.28Å; M32-K34 VanDerWaalsContact C-N 3.33Å; M32-K34 PolarHBondContact O-N 3.34Å; K34-F38 WeakPolarHBondContact O-CB 3.21Å; K34-F38 PolarHBondContact O-N 3.44Å
35	V	47	Very low	62.6	Low	91 Å²	91	80.1 Å²	80.1	55%	0.552	45%	0.445	S	S	*	.	H	α-helix	trans	-66	-43.8	177.1	172.2	0	0	0	0	111.1	S31 M32 F38 M39	S31-V35 WeakPolarHBondContact O-CG2 3.37Å; S31-V35 PolarHBondContact O-N 3.31Å; M32-V35 PolarHBondContact O-N 3.4Å; V35-F38 PolarHBondContact O-N 2.91Å; V35-M39 PolarHBondContact O-N 3.26Å
36	G	49	Very low	64.1	Low	36 Å²	36	81.3 Å²	81.3	37%	0.371	45%	0.451	S	S	.	.	H	α-helix	trans	-60.8	-49.7	175.1	0	0	0	0	0	112.3	M32 F38 M39 D40	M32-G36 PolarHBondContact O-N 3.07Å; G36-F38 VanDerWaalsContact C-N 3.31Å; G36-F38 PolarHBondContact O-N 2.86Å; G36-M39 PolarHBondContact O-N 3.32Å; G36-D40 PolarHBondContact O-N 2.85Å; G36-D40 VanDerWaalsContact O-N 3.09Å
37	N	57.6	Low	65.6	Low	71 Å²	71	79.7 Å²	79.7	38%	0.38	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-35.2	177	-71.9	-14.4	0	0	0	112.4	N33 D40 D41	N33-N37 WeakPolarHBondContact O-CB 3.34Å; N33-N37 VanDerWaalsContact O-CG 3.25Å; N33-N37 PolarHBondContact O-N 3.01Å; N33-N37 PolarHBondContact O-ND2 3.36Å; N37-D40 WeakPolarHBondContact O-CB 3.13Å; N37-D40 PolarHBondContact O-N 3.08Å; N37-D41 WeakPolarHBondContact O-CB 3.43Å; N37-D41 PolarHBondContact O-N 3.42Å
38	F	50	Low	67.3	Low	121 Å²	121	73.1 Å²	73.1	53%	0.531	41%	0.413	S	S	.	.	H	α-helix	trans	-69.4	-34.2	177.7	-168.5	-90.1	0	0	0	112.7	K34 V35 G36 S42	K34-F38 WeakPolarHBondContact O-CB 3.21Å; K34-F38 PolarHBondContact O-N 3.44Å; V35-F38 PolarHBondContact O-N 2.91Å; G36-F38 VanDerWaalsContact C-N 3.31Å; G36-F38 PolarHBondContact O-N 2.86Å; F38-S42 WeakPolarHBondContact O-CB 3.43Å; F38-S42 PolarHBondContact O-N 3.32Å; F38-S42 PolarHBondContact O-OG 2.94Å
39	M	53.2	Low	69	Low	138 Å²	138	72.6 Å²	72.6	68%	0.68	41%	0.405	S	S	*	.	H	α-helix	trans	-65.6	-42.9	171.4	-81.6	-174.2	168.6	0	0	111.2	V35 G36 A43	V35-M39 PolarHBondContact O-N 3.26Å; G36-M39 PolarHBondContact O-N 3.32Å; M39-A43 PolarHBondContact O-N 3.46Å
40	D	73.8	Confident	70.3	Confident	74 Å²	74	70.2 Å²	70.2	40%	0.396	40%	0.399	S	S	.	.	H	α-helix	trans	-60.2	-49	173.4	-87.5	7.9	0	0	0	111.5	G36 N37 S42 A43 I44 K70	G36-D40 PolarHBondContact O-N 2.85Å; G36-D40 VanDerWaalsContact O-N 3.09Å; N37-D40 WeakPolarHBondContact O-CB 3.13Å; N37-D40 PolarHBondContact O-N 3.08Å; D40-S42 VanDerWaalsContact C-N 3.34Å; D40-S42 PolarHBondContact O-N 3.49Å; D40-A43 PolarHBondContact O-N 2.98Å; D40-I44 VanDerWaalsContact O-CG1 3.32Å; D40-I44 WeakPolarHBondContact O-CG1 3.32Å; D40-I44 PolarHBondContact O-N 2.92Å; D40-K70 WeakPolarHBondContact OD2-CE 3.35Å; D40-K70 IonicContact OD2-NZ 2.75Å; D40-K70 PolarHBondContact OD2-NZ 2.63Å
41	D	83	Confident	71.8	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.043	39%	0.388	C	S	.	.	H	α-helix	trans	-66.3	-34.2	-177	-72.6	-17.9	0	0	0	112.8	N37 I44 T45 T67 D68 Q69 K70	N37-D41 WeakPolarHBondContact O-CB 3.43Å; N37-D41 PolarHBondContact O-N 3.42Å; D41-I44 PolarHBondContact O-N 3.43Å; D41-T45 WeakPolarHBondContact O-CB 3.4Å; D41-T45 PolarHBondContact O-N 2.86Å; D41-T45 PolarHBondContact O-OG1 3.3Å; D41-T67 HydrophobicContact CB-CG2 3.96Å; D41-D68 WeakPolarHBondContact OD2-CA 3.49Å; D41-Q69 PolarHBondContact OD2-N 3.02Å; D41-K70 WeakPolarHBondContact OD1-CA 3.44Å; D41-K70 PolarHBondContact OD1-N 2.74Å
42	S	80	Confident	73.3	Confident	53 Å²	53	65.3 Å²	65.3	37%	0.371	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-43.2	174.8	-62.2	0	0	0	0	110.9	F38 D40 T45 A46	F38-S42 WeakPolarHBondContact O-CB 3.43Å; F38-S42 PolarHBondContact O-N 3.32Å; F38-S42 PolarHBondContact O-OG 2.94Å; D40-S42 VanDerWaalsContact C-N 3.34Å; D40-S42 PolarHBondContact O-N 3.49Å; S42-T45 PolarHBondContact O-N 3.07Å; S42-A46 PolarHBondContact O-N 3.26Å
43	A	82.5	Confident	74.8	Confident	50 Å²	50	63.9 Å²	63.9	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-42.1	175.6	0	0	0	0	0	111.6	M39 D40 A46 K47	M39-A43 PolarHBondContact O-N 3.46Å; D40-A43 PolarHBondContact O-N 2.98Å; A43-A46 PolarHBondContact O-N 3.21Å; A43-K47 WeakPolarHBondContact O-CG 3.49Å; A43-K47 PolarHBondContact O-N 3.46Å
44	I	87.5	Confident	76	Confident	8 Å²	8	65 Å²	65	4%	0.041	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-47.9	173.9	-68.7	164.9	0	0	0	110.5	D40 D41 A46 K47 V48 T67 K70 V72 G96 V97	D40-I44 VanDerWaalsContact O-CG1 3.32Å; D40-I44 WeakPolarHBondContact O-CG1 3.32Å; D40-I44 PolarHBondContact O-N 2.92Å; D41-I44 PolarHBondContact O-N 3.43Å; I44-A46 VanDerWaalsContact C-N 3.3Å; I44-A46 PolarHBondContact O-N 3.38Å; I44-K47 PolarHBondContact O-N 2.84Å; I44-V48 HydrophobicContact CG2-CG2 4.22Å; I44-V48 WeakPolarHBondContact O-CG2 3.3Å; I44-V48 PolarHBondContact O-N 3.13Å; I44-T67 HydrophobicContact CB-CG2 4.13Å; I44-T67 HydrophobicContact CG2-CG2 3.79Å; I44-K70 HydrophobicContact CD1-CB 4.16Å; I44-K70 HydrophobicContact CD1-CD 4.41Å; I44-K70 HydrophobicContact CD1-CG 3.78Å; I44-V72 HydrophobicContact CG2-CG2 3.87Å; I44-G96 WeakPolarHBondContact CD1-O 3.34Å; I44-V97 HydrophobicContact CG2-CG2 3.53Å
45	T	87.1	Confident	77.3	Confident	25 Å²	25	60 Å²	60	15%	0.153	35%	0.348	C	S	.	.	H	α-helix	trans	-57.5	-43.8	178.6	-57.2	0	0	0	0	111.4	D41 S42 K49 V65 T67	D41-T45 WeakPolarHBondContact O-CB 3.4Å; D41-T45 PolarHBondContact O-N 2.86Å; D41-T45 PolarHBondContact O-OG1 3.3Å; S42-T45 PolarHBondContact O-N 3.07Å; T45-K49 HydrophobicContact CG2-CD 4.42Å; T45-K49 WeakPolarHBondContact O-CB 3.42Å; T45-K49 WeakPolarHBondContact O-CG 3.36Å; T45-K49 PolarHBondContact O-N 2.97Å; T45-V65 HydrophobicContact CG2-CB 4.44Å; T45-V65 HydrophobicContact CG2-CG1 4.22Å; T45-T67 WeakPolarHBondContact OG1-CB 3.47Å; T45-T67 PolarHBondContact OG1-N 3.33Å; T45-T67 PolarHBondContact OG1-OG1 3.06Å
46	A	86.2	Confident	78.7	Confident	59 Å²	59	63.4 Å²	63.4	49%	0.488	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-44.6	177.6	0	0	0	0	0	112.2	S42 A43 I44 K49 A50	S42-A46 PolarHBondContact O-N 3.26Å; A43-A46 PolarHBondContact O-N 3.21Å; I44-A46 VanDerWaalsContact C-N 3.3Å; I44-A46 PolarHBondContact O-N 3.38Å; A46-K49 PolarHBondContact O-N 3.46Å; A46-A50 WeakPolarHBondContact O-CB 3.39Å; A46-A50 PolarHBondContact O-N 3.34Å
47	K	89.1	Confident	80	Confident	97 Å²	97	67.8 Å²	67.8	42%	0.422	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-42.6	176.2	-72.9	-179.5	178.9	-175.7	0	111.8	A43 I44 A50 A51 V94 E95	A43-K47 WeakPolarHBondContact O-CG 3.49Å; A43-K47 PolarHBondContact O-N 3.46Å; I44-K47 PolarHBondContact O-N 2.84Å; K47-A50 PolarHBondContact O-N 3.44Å; K47-A51 WeakPolarHBondContact O-CB 3.49Å; K47-A51 PolarHBondContact O-N 3.03Å; K47-V94 HydrophobicContact CB-CG1 3.44Å; K47-V94 VanDerWaalsContact CB-CG1 3.44Å; K47-V94 HydrophobicContact CD-CG1 4.08Å; K47-V94 HydrophobicContact CG-CG1 4.42Å; K47-E95 IonicContact NZ-OE2 2.93Å; K47-E95 PolarHBondContact NZ-OE2 3.31Å
48	V	92	Very high	80.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-65.5	-45.4	176.6	175.1	0	0	0	0	111.6	I44 A50 A51 L52 V65 V72 L74 A91 V94 V97	I44-V48 HydrophobicContact CG2-CG2 4.22Å; I44-V48 WeakPolarHBondContact O-CG2 3.3Å; I44-V48 PolarHBondContact O-N 3.13Å; V48-A50 VanDerWaalsContact C-N 3.32Å; V48-A50 PolarHBondContact O-N 3.36Å; V48-A51 PolarHBondContact O-N 3.12Å; V48-L52 HydrophobicContact CG1-CD1 4.02Å; V48-L52 HydrophobicContact CG1-CG 4.35Å; V48-L52 WeakPolarHBondContact O-CG 3.44Å; V48-L52 PolarHBondContact O-N 3.24Å; V48-V65 HydrophobicContact CB-CG1 3.93Å; V48-V65 HydrophobicContact CG1-CG1 3.59Å; V48-V65 HydrophobicContact CG1-CG2 4.08Å; V48-V72 HydrophobicContact CG1-CG1 4.24Å; V48-V72 HydrophobicContact CG2-CG2 4.1Å; V48-L74 HydrophobicContact CG1-CD2 4.3Å; V48-A91 HydrophobicContact CG1-CB 3.78Å; V48-V94 HydrophobicContact CB-CG2 4.46Å; V48-V94 HydrophobicContact CG2-CB 3.82Å; V48-V94 HydrophobicContact CG2-CG1 3.93Å; V48-V94 HydrophobicContact CG2-CG2 3.84Å; V48-V97 HydrophobicContact CG2-CG2 3.99Å
49	K	90.4	Very high	82.1	Confident	71 Å²	71	64 Å²	64	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-43.8	175.4	-75.8	-176.7	177.7	-175	0	111.5	T45 A46 L52 V53 V65	T45-K49 HydrophobicContact CG2-CD 4.42Å; T45-K49 WeakPolarHBondContact O-CB 3.42Å; T45-K49 WeakPolarHBondContact O-CG 3.36Å; T45-K49 PolarHBondContact O-N 2.97Å; A46-K49 PolarHBondContact O-N 3.46Å; K49-L52 PolarHBondContact O-N 2.82Å; K49-V53 WeakPolarHBondContact O-CB 3.4Å; K49-V53 WeakPolarHBondContact O-CG2 3.5Å; K49-V53 PolarHBondContact O-N 3.41Å; K49-V65 HydrophobicContact CG-CB 3.86Å; K49-V65 HydrophobicContact CG-CG2 3.76Å
50	A	87	Confident	82.7	Confident	48 Å²	48	58.5 Å²	58.5	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-47.7	176	0	0	0	0	0	111.7	A46 K47 V48 L52 V53 D54	A46-A50 WeakPolarHBondContact O-CB 3.39Å; A46-A50 PolarHBondContact O-N 3.34Å; K47-A50 PolarHBondContact O-N 3.44Å; V48-A50 VanDerWaalsContact C-N 3.32Å; V48-A50 PolarHBondContact O-N 3.36Å; A50-L52 VanDerWaalsContact C-N 3.33Å; A50-L52 PolarHBondContact O-N 3.02Å; A50-V53 PolarHBondContact O-N 2.97Å; A50-V53 VanDerWaalsContact O-N 3.14Å; A50-D54 WeakPolarHBondContact O-CB 3.26Å; A50-D54 PolarHBondContact O-N 2.97Å
51	A	89	Confident	82.5	Confident	31 Å²	31	60.3 Å²	60.3	26%	0.256	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-37	179.3	0	0	0	0	0	113	K47 V48 H55 V90 V94	K47-A51 WeakPolarHBondContact O-CB 3.49Å; K47-A51 PolarHBondContact O-N 3.03Å; V48-A51 PolarHBondContact O-N 3.12Å; A51-H55 PolarHBondContact O-N 3.47Å; A51-V90 HydrophobicContact CB-CG1 3.59Å; A51-V94 HydrophobicContact CB-CG2 3.93Å
52	L	89.3	Confident	82.2	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-70.1	-36.7	174.7	-69.4	172.8	0	0	0	112.2	V48 K49 A50 H55 I58 S60 I63 V65 L74 A87 V90	V48-L52 HydrophobicContact CG1-CD1 4.02Å; V48-L52 HydrophobicContact CG1-CG 4.35Å; V48-L52 WeakPolarHBondContact O-CG 3.44Å; V48-L52 PolarHBondContact O-N 3.24Å; K49-L52 PolarHBondContact O-N 2.82Å; A50-L52 VanDerWaalsContact C-N 3.33Å; A50-L52 PolarHBondContact O-N 3.02Å; L52-H55 PolarHBondContact O-N 2.99Å; L52-I58 HydrophobicContact CD2-CD1 3.99Å; L52-I58 HydrophobicContact CD2-CG2 4.34Å; L52-S60 WeakPolarHBondContact O-CB 3.37Å; L52-I63 HydrophobicContact CD1-CG2 4.04Å; L52-V65 HydrophobicContact CD1-CG2 3.6Å; L52-L74 HydrophobicContact CD1-CD2 4.1Å; L52-A87 HydrophobicContact CD2-CB 3.84Å; L52-V90 HydrophobicContact CD2-CB 4.04Å; L52-V90 HydrophobicContact CD2-CG1 3.88Å; L52-V90 HydrophobicContact CG-CG1 4.28Å
53	V	84.4	Confident	82.3	Confident	94 Å²	94	60.3 Å²	60.3	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-69.5	-37	177.5	170	0	0	0	0	111.8	K49 A50 H55 S60	K49-V53 WeakPolarHBondContact O-CB 3.4Å; K49-V53 WeakPolarHBondContact O-CG2 3.5Å; K49-V53 PolarHBondContact O-N 3.41Å; A50-V53 PolarHBondContact O-N 2.97Å; A50-V53 VanDerWaalsContact O-N 3.14Å; V53-H55 PolarHBondContact O-N 3.38Å; V53-S60 WeakPolarHBondContact CA-OG 3.41Å; V53-S60 WeakPolarHBondContact CG2-OG 3.3Å
54	D	82.7	Confident	82.4	Confident	132 Å²	132	59.2 Å²	59.2	71%	0.706	33%	0.333	S	S	*	.	S	Bend	trans	-76.9	-7.1	179.2	-72	-16.3	0	0	0	113.2	A50	A50-D54 WeakPolarHBondContact O-CB 3.26Å; A50-D54 PolarHBondContact O-N 2.97Å
55	H	82.1	Confident	82.5	Confident	50 Å²	50	59.1 Å²	59.1	23%	0.231	33%	0.333	C	S	.	.			trans	-91	111.8	-178	-162.2	-73.5	0	0	0	112.2	A51 L52 V53 N57 I58 E86 V90	A51-H55 PolarHBondContact O-N 3.47Å; L52-H55 PolarHBondContact O-N 2.99Å; V53-H55 PolarHBondContact O-N 3.38Å; H55-N57 VanDerWaalsContact C-N 3.25Å; H55-N57 PolarHBondContact O-N 2.86Å; H55-I58 HydrophobicContact CB-CB 4.36Å; H55-I58 HydrophobicContact CB-CD1 3.93Å; H55-I58 HydrophobicContact CB-CG1 4.29Å; H55-I58 PolarHBondContact O-N 2.88Å; H55-E86 IonicContact NE2-OE1 3.45Å; H55-V90 HydrophobicContact CB-CG2 4.46Å; H55-V90 VanDerWaalsContact CD2-CG2 3.42Å; H55-V90 WeakPolarHBondContact CD2-CG2 3.27Å
56	D	76.6	Confident	82.5	Confident	164 Å²	164	65 Å²	65	88%	0.877	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.9	-171.7	-67.6	-35.4	0	0	0	115.1
57	N	76.2	Confident	82.4	Confident	127 Å²	127	62.9 Å²	62.9	68%	0.679	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	0.6	-175.6	-68.1	-22.3	0	0	0	114.5	H55 Q83	H55-N57 VanDerWaalsContact C-N 3.25Å; H55-N57 PolarHBondContact O-N 2.86Å; N57-Q83 PolarHBondContact O-NE2 3.28Å
58	I	77.2	Confident	82.2	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.046	35%	0.345	C	S	.	.			trans	-111.2	118.2	-177.7	-60.2	170.8	0	0	0	109	L52 H55 S60 I63 Q83 E86 A87 V90	L52-I58 HydrophobicContact CD2-CD1 3.99Å; L52-I58 HydrophobicContact CD2-CG2 4.34Å; H55-I58 HydrophobicContact CB-CB 4.36Å; H55-I58 HydrophobicContact CB-CD1 3.93Å; H55-I58 HydrophobicContact CB-CG1 4.29Å; H55-I58 PolarHBondContact O-N 2.88Å; I58-S60 PolarHBondContact O-N 3.41Å; I58-I63 HydrophobicContact CG2-CD1 3.6Å; I58-Q83 HydrophobicContact CG1-CG 4.34Å; I58-E86 HydrophobicContact CD1-CB 4.27Å; I58-E86 HydrophobicContact CD1-CG 4.21Å; I58-A87 HydrophobicContact CD1-CB 4.08Å; I58-A87 HydrophobicContact CG2-CB 4.4Å; I58-V90 HydrophobicContact CD1-CB 4.47Å; I58-V90 HydrophobicContact CD1-CG2 3.92Å
59	K	75	Confident	81.8	Confident	105 Å²	105	70 Å²	70	46%	0.457	38%	0.375	S	S	.	.			trans	-75.6	75.4	168	-71.7	-175	-179.2	172.2	0	109.4	T61 D62 E79	K59-T61 PolarHBondContact O-N 3.27Å; K59-T61 VanDerWaalsContact O-N 3.08Å; K59-D62 PolarHBondContact O-N 3.11Å; K59-E79 WeakPolarHBondContact CE-OE1 3.4Å; K59-E79 VanDerWaalsContact NZ-CD 3.33Å; K59-E79 IonicContact NZ-OE1 3.68Å; K59-E79 PolarHBondContact NZ-OE1 3.26Å; K59-E79 IonicContact NZ-OE2 2.8Å; K59-E79 PolarHBondContact NZ-OE2 3.24Å
60	S	65.5	Low	81.7	Confident	22 Å²	22	69.7 Å²	69.7	15%	0.154	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-58	-21.6	-175.5	55.5	0	0	0	0	114.4	L52 V53 I58 D62 I63	L52-S60 WeakPolarHBondContact O-CB 3.37Å; V53-S60 WeakPolarHBondContact CA-OG 3.41Å; V53-S60 WeakPolarHBondContact CG2-OG 3.3Å; I58-S60 PolarHBondContact O-N 3.41Å; S60-D62 PolarHBondContact O-N 3.17Å; S60-I63 PolarHBondContact O-N 2.97Å; S60-I63 VanDerWaalsContact O-N 3.11Å
61	T	68.9	Low	81.8	Confident	111 Å²	111	69.8 Å²	69.8	68%	0.681	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-62.7	-22.2	178.6	56.3	0	0	0	0	113.8	K59	K59-T61 PolarHBondContact O-N 3.27Å; K59-T61 VanDerWaalsContact O-N 3.08Å
62	D	78	Confident	82	Confident	47 Å²	47	68.3 Å²	68.3	25%	0.251	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-100.6	7.4	179.9	-68.2	-4.7	0	0	0	112.5	K59 S60 G76 F77 R107	K59-D62 PolarHBondContact O-N 3.11Å; S60-D62 PolarHBondContact O-N 3.17Å; D62-G76 WeakPolarHBondContact O-CA 3.34Å; D62-F77 WeakPolarHBondContact CB-O 3.49Å; D62-F77 PolarHBondContact O-N 2.91Å; D62-R107 IonicContact OD2-CZ 2.7Å; D62-R107 IonicContact OD2-NH1 2.7Å; D62-R107 PolarHBondContact OD2-NH1 3.31Å; D62-R107 IonicContact OD2-NH2 2.64Å; D62-R107 PolarHBondContact OD2-NH2 3.45Å
63	I	81.7	Confident	82.1	Confident	14 Å²	14	70 Å²	70	7%	0.072	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.9	-179.7	-58.4	178.1	0	0	0	110.2	L52 I58 S60 V65 L74 V78 A87 L104	L52-I63 HydrophobicContact CD1-CG2 4.04Å; I58-I63 HydrophobicContact CG2-CD1 3.6Å; S60-I63 PolarHBondContact O-N 2.97Å; S60-I63 VanDerWaalsContact O-N 3.11Å; I63-V65 HydrophobicContact CG2-CG2 4.46Å; I63-L74 HydrophobicContact CG2-CB 4.39Å; I63-L74 HydrophobicContact CG2-CD2 4.24Å; I63-V78 HydrophobicContact CD1-CG1 3.96Å; I63-V78 HydrophobicContact CG1-CG1 4.28Å; I63-A87 HydrophobicContact CD1-CB 3.81Å; I63-L104 HydrophobicContact CB-CD2 4.4Å; I63-L104 HydrophobicContact CD1-CD2 4.31Å; I63-L104 HydrophobicContact CG1-CD2 3.93Å; I63-L104 HydrophobicContact CG2-CD2 3.92Å
64	S	84.2	Confident	82.3	Confident	27 Å²	27	65.5 Å²	65.5	19%	0.189	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.7	169.8	-159	0	0	0	0	110.6	L74 S75 Q419	S64-L74 WeakPolarHBondContact O-CA 3.47Å; S64-S75 WeakPolarHBondContact CA-O 3.32Å; S64-S75 WeakPolarHBondContact CB-O 3.25Å; S64-S75 PolarHBondContact N-O 3.42Å; S64-S75 PolarHBondContact O-N 3.24Å; S64-Q419 PolarHBondContact OG-NE2 3.42Å; S64-Q419 PolarHBondContact OG-OE1 3.45Å
65	V	90.4	Very high	82.6	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.1	-179	-174.2	0	0	0	0	108.5	T45 V48 K49 L52 I63 V72 L74	T45-V65 HydrophobicContact CG2-CB 4.44Å; T45-V65 HydrophobicContact CG2-CG1 4.22Å; V48-V65 HydrophobicContact CB-CG1 3.93Å; V48-V65 HydrophobicContact CG1-CG1 3.59Å; V48-V65 HydrophobicContact CG1-CG2 4.08Å; K49-V65 HydrophobicContact CG-CB 3.86Å; K49-V65 HydrophobicContact CG-CG2 3.76Å; L52-V65 HydrophobicContact CD1-CG2 3.6Å; I63-V65 HydrophobicContact CG2-CG2 4.46Å; V65-V72 HydrophobicContact CG1-CG1 3.76Å; V65-L74 HydrophobicContact CB-CD2 4.39Å; V65-L74 HydrophobicContact CG1-CD2 4.19Å; V65-L74 HydrophobicContact CG2-CD2 3.81Å
66	K	86.1	Confident	82.8	Confident	148 Å²	148	60 Å²	60	64%	0.643	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.1	172.1	-175.3	-180	179.2	-176.6	0	109.4	V72 T73	K66-V72 CarbonylContact O-C 3.56Å; K66-V72 WeakPolarHBondContact O-CA 3.37Å; K66-T73 PolarHBondContact N-O 2.89Å; K66-T73 PolarHBondContact O-N 3.02Å
67	T	85.2	Confident	83	Confident	15 Å²	15	57.4 Å²	57.4	9%	0.092	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135	174.8	-46.9	0	0	0	0	109.8	D41 I44 T45 V71 V72	D41-T67 HydrophobicContact CB-CG2 3.96Å; I44-T67 HydrophobicContact CB-CG2 4.13Å; I44-T67 HydrophobicContact CG2-CG2 3.79Å; T45-T67 WeakPolarHBondContact OG1-CB 3.47Å; T45-T67 PolarHBondContact OG1-N 3.33Å; T45-T67 PolarHBondContact OG1-OG1 3.06Å; T67-V71 WeakPolarHBondContact CA-O 3.37Å; T67-V72 HydrophobicContact CG2-CG2 4.05Å
68	D	84.8	Confident	83.3	Confident	108 Å²	108	51.4 Å²	51.4	58%	0.578	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	123.6	171.6	-176.2	42.5	0	0	0	108.7	D41 K70 V71	D41-D68 WeakPolarHBondContact OD2-CA 3.49Å; D68-K70 VanDerWaalsContact C-N 3.27Å; D68-K70 PolarHBondContact O-N 3.24Å; D68-V71 PolarHBondContact N-O 2.93Å; D68-V71 WeakPolarHBondContact O-CB 3.1Å; D68-V71 PolarHBondContact O-N 2.76Å
69	Q	84.1	Confident	83.6	Confident	137 Å²	137	55.8 Å²	55.8	64%	0.64	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	46.6	-176.1	-56.1	-173.2	-25.4	0	0	112.6	D41 V71	D41-Q69 PolarHBondContact OD2-N 3.02Å; Q69-V71 PolarHBondContact O-N 2.97Å; Q69-V71 VanDerWaalsContact O-N 3.11Å
70	K	86.8	Confident	84	Confident	66 Å²	66	53.2 Å²	53.2	29%	0.287	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	8.6	-178.3	-54.1	-174	-179.1	-169.8	0	114.7	D40 D41 I44 D68 G96 T98	D40-K70 WeakPolarHBondContact OD2-CE 3.35Å; D40-K70 IonicContact OD2-NZ 2.75Å; D40-K70 PolarHBondContact OD2-NZ 2.63Å; D41-K70 WeakPolarHBondContact OD1-CA 3.44Å; D41-K70 PolarHBondContact OD1-N 2.74Å; I44-K70 HydrophobicContact CD1-CB 4.16Å; I44-K70 HydrophobicContact CD1-CD 4.41Å; I44-K70 HydrophobicContact CD1-CG 3.78Å; D68-K70 VanDerWaalsContact C-N 3.27Å; D68-K70 PolarHBondContact O-N 3.24Å; K70-G96 WeakPolarHBondContact CB-O 3.29Å; K70-T98 WeakPolarHBondContact CB-OG1 3.46Å; K70-T98 PolarHBondContact O-N 2.89Å
71	V	90.1	Very high	84.9	Confident	50 Å²	50	57 Å²	57	30%	0.303	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.1	172.1	-178.8	0	0	0	0	109.3	T67 D68 Q69 S99	T67-V71 WeakPolarHBondContact CA-O 3.37Å; D68-V71 PolarHBondContact N-O 2.93Å; D68-V71 WeakPolarHBondContact O-CB 3.1Å; D68-V71 PolarHBondContact O-N 2.76Å; Q69-V71 PolarHBondContact O-N 2.97Å; Q69-V71 VanDerWaalsContact O-N 3.11Å; V71-S99 WeakPolarHBondContact CA-O 3.11Å; V71-S99 WeakPolarHBondContact CG1-OG 3.39Å; V71-S99 WeakPolarHBondContact CG2-OG 3.39Å
72	V	92.3	Very high	85.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.2	-179.4	175.4	0	0	0	0	109.3	I44 V48 V65 K66 T67 L74 A91 V97 S99 V100 S101	I44-V72 HydrophobicContact CG2-CG2 3.87Å; V48-V72 HydrophobicContact CG1-CG1 4.24Å; V48-V72 HydrophobicContact CG2-CG2 4.1Å; V65-V72 HydrophobicContact CG1-CG1 3.76Å; K66-V72 CarbonylContact O-C 3.56Å; K66-V72 WeakPolarHBondContact O-CA 3.37Å; T67-V72 HydrophobicContact CG2-CG2 4.05Å; V72-L74 HydrophobicContact CG1-CD2 3.85Å; V72-L74 HydrophobicContact CG1-CG 4.3Å; V72-A91 HydrophobicContact CG1-CB 4.37Å; V72-V97 HydrophobicContact CB-CG1 4.34Å; V72-V97 HydrophobicContact CG2-CB 4.35Å; V72-V97 HydrophobicContact CG2-CG1 3.84Å; V72-V97 HydrophobicContact CG2-CG2 3.62Å; V72-S99 PolarHBondContact N-O 3.25Å; V72-V100 HydrophobicContact CB-CG2 4.26Å; V72-V100 CarbonylContact O-C 3.54Å; V72-V100 WeakPolarHBondContact O-CA 3.05Å; V72-S101 PolarHBondContact O-N 2.93Å
73	T	91.5	Very high	86.2	Confident	37 Å²	37	53.4 Å²	53.4	23%	0.227	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121	168.2	-54.7	0	0	0	0	109.1	K66 S101 K103	K66-T73 PolarHBondContact N-O 2.89Å; K66-T73 PolarHBondContact O-N 3.02Å; T73-S101 WeakPolarHBondContact CA-O 3.28Å; T73-K103 HydrophobicContact CG2-CD 3.85Å; T73-K103 HydrophobicContact CG2-CG 4.1Å
74	L	89.5	Confident	86.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123	169.7	-58.7	-178	0	0	0	108.3	V48 L52 I63 S64 V65 V72 A87 V88 A91 V100 S101 K103 L104	V48-L74 HydrophobicContact CG1-CD2 4.3Å; L52-L74 HydrophobicContact CD1-CD2 4.1Å; I63-L74 HydrophobicContact CG2-CB 4.39Å; I63-L74 HydrophobicContact CG2-CD2 4.24Å; S64-L74 WeakPolarHBondContact O-CA 3.47Å; V65-L74 HydrophobicContact CB-CD2 4.39Å; V65-L74 HydrophobicContact CG1-CD2 4.19Å; V65-L74 HydrophobicContact CG2-CD2 3.81Å; V72-L74 HydrophobicContact CG1-CD2 3.85Å; V72-L74 HydrophobicContact CG1-CG 4.3Å; L74-A87 HydrophobicContact CD1-CB 4.21Å; L74-A87 WeakPolarHBondContact CD1-O 3.28Å; L74-V88 HydrophobicContact CD1-CG2 4.09Å; L74-A91 HydrophobicContact CD1-CB 3.87Å; L74-A91 HydrophobicContact CD2-CB 4.23Å; L74-A91 HydrophobicContact CG-CB 4.34Å; L74-V100 HydrophobicContact CD1-CG1 3.97Å; L74-V100 HydrophobicContact CG-CG1 3.97Å; L74-S101 PolarHBondContact N-O 2.92Å; L74-K103 CarbonylContact O-C 3.5Å; L74-K103 VanDerWaalsContact O-CA 3.3Å; L74-K103 WeakPolarHBondContact O-CA 3.46Å; L74-K103 WeakPolarHBondContact O-CB 3.24Å; L74-K103 PolarHBondContact O-N 3.34Å; L74-L104 HydrophobicContact CB-CD1 4.16Å; L74-L104 HydrophobicContact CB-CD2 4.2Å; L74-L104 HydrophobicContact CB-CG 4.06Å; L74-L104 HydrophobicContact CD1-CD1 4.34Å
75	S	88.4	Confident	86.9	Confident	46 Å²	46	57.1 Å²	57.1	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.6	178.8	59.8	0	0	0	0	110.6	S64 K103	S64-S75 WeakPolarHBondContact CA-O 3.32Å; S64-S75 WeakPolarHBondContact CB-O 3.25Å; S64-S75 PolarHBondContact N-O 3.42Å; S64-S75 PolarHBondContact O-N 3.24Å; S75-K103 WeakPolarHBondContact CA-O 3.3Å
76	G	85.7	Confident	86.9	Confident	20 Å²	20	59.5 Å²	59.5	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.3	-155.3	-177.8	0	0	0	0	0	111.7	D62 H105	D62-G76 WeakPolarHBondContact O-CA 3.34Å; G76-H105 PolarHBondContact O-N 3.25Å
77	F	81.1	Confident	87.2	Confident	109 Å²	109	52.4 Å²	52.4	48%	0.478	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.1	-175.7	-66.1	-81.6	0	0	0	111.5	D62 H105 R107	D62-F77 WeakPolarHBondContact CB-O 3.49Å; D62-F77 PolarHBondContact O-N 2.91Å; F77-H105 CarbonylContact C-O 3.56Å; F77-H105 VanDerWaalsContact CA-O 3.28Å; F77-H105 WeakPolarHBondContact CA-O 3Å; F77-H105 HydrophobicContact CD1-CB 3.98Å; F77-H105 HydrophobicContact CE1-CB 4.11Å; F77-R107 HydrophobicContact CB-CG 3.93Å; F77-R107 HydrophobicContact CD1-CG 4.04Å; F77-R107 HydrophobicContact CG-CG 4.31Å
78	V	83.7	Confident	87.6	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	160.2	171.6	-64.6	0	0	0	0	110.2	I63 S80 Q83 A84 L104 H105 V106 R107	I63-V78 HydrophobicContact CD1-CG1 3.96Å; I63-V78 HydrophobicContact CG1-CG1 4.28Å; V78-S80 WeakPolarHBondContact CG2-O 3.16Å; V78-Q83 HydrophobicContact CB-CB 4.13Å; V78-Q83 HydrophobicContact CB-CG 4.16Å; V78-Q83 HydrophobicContact CG1-CG 4.21Å; V78-A84 HydrophobicContact CG2-CB 3.78Å; V78-L104 HydrophobicContact CG1-CB 4.38Å; V78-L104 HydrophobicContact CG1-CD1 4.11Å; V78-L104 HydrophobicContact CG1-CD2 4.28Å; V78-H105 PolarHBondContact N-O 3.44Å; V78-V106 HydrophobicContact CG2-CB 4.47Å; V78-V106 HydrophobicContact CG2-CG2 3.92Å; V78-V106 CarbonylContact O-C 3.59Å; V78-V106 WeakPolarHBondContact O-CA 3.42Å; V78-R107 PolarHBondContact O-N 3.14Å
79	E	81.8	Confident	88.1	Confident	100 Å²	100	53.4 Å²	53.4	47%	0.467	28%	0.279	S	S	.	.	S	Bend	trans	-84.3	-17.1	-177.7	-59.6	-170.6	148	0	0	113.4	K59	K59-E79 WeakPolarHBondContact CE-OE1 3.4Å; K59-E79 VanDerWaalsContact NZ-CD 3.33Å; K59-E79 IonicContact NZ-OE1 3.68Å; K59-E79 PolarHBondContact NZ-OE1 3.26Å; K59-E79 IonicContact NZ-OE2 2.8Å; K59-E79 PolarHBondContact NZ-OE2 3.24Å
80	S	83.8	Confident	88.5	Confident	52 Å²	52	47.9 Å²	47.9	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-156.5	159.1	178.9	65.3	0	0	0	0	111.1	V78 A82 Q83 A84	V78-S80 WeakPolarHBondContact CG2-O 3.16Å; S80-A82 PolarHBondContact O-N 3.28Å; S80-Q83 WeakPolarHBondContact O-CB 3.28Å; S80-Q83 PolarHBondContact O-N 2.9Å; S80-Q83 PolarHBondContact OG-N 2.81Å; S80-A84 PolarHBondContact O-N 3.13Å
81	Q	84.7	Confident	88.8	Confident	102 Å²	102	44.8 Å²	44.8	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-58.8	-36.6	173.7	-172.2	59.8	30.1	0	0	111.8	Q83 A84 E85 V106	Q81-Q83 VanDerWaalsContact C-N 3.25Å; Q81-Q83 PolarHBondContact O-N 3.07Å; Q81-A84 WeakPolarHBondContact O-CB 3.44Å; Q81-A84 PolarHBondContact O-N 2.72Å; Q81-A84 VanDerWaalsContact O-N 3.14Å; Q81-E85 WeakPolarHBondContact O-CG 3.3Å; Q81-E85 PolarHBondContact O-N 3.24Å; Q81-V106 HydrophobicContact CB-CG2 4.19Å
82	A	86.9	Confident	89	Confident	64 Å²	64	48.5 Å²	48.5	53%	0.529	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-35	175.7	0	0	0	0	0	112.5	S80 E86	S80-A82 PolarHBondContact O-N 3.28Å; A82-E86 WeakPolarHBondContact O-CB 3.49Å; A82-E86 PolarHBondContact O-N 2.7Å
83	Q	88.6	Confident	89.1	Confident	17 Å²	17	51.7 Å²	51.7	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-73.2	-35	176.6	-171.4	178	50.7	0	0	112.2	N57 I58 V78 S80 Q81 A87	N57-Q83 PolarHBondContact O-NE2 3.28Å; I58-Q83 HydrophobicContact CG1-CG 4.34Å; V78-Q83 HydrophobicContact CB-CB 4.13Å; V78-Q83 HydrophobicContact CB-CG 4.16Å; V78-Q83 HydrophobicContact CG1-CG 4.21Å; S80-Q83 WeakPolarHBondContact O-CB 3.28Å; S80-Q83 PolarHBondContact O-N 2.9Å; S80-Q83 PolarHBondContact OG-N 2.81Å; Q81-Q83 VanDerWaalsContact C-N 3.25Å; Q81-Q83 PolarHBondContact O-N 3.07Å; Q83-A87 WeakPolarHBondContact O-CB 3.48Å; Q83-A87 PolarHBondContact O-N 2.97Å
84	A	87.5	Confident	89.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-47.5	171.2	0	0	0	0	0	111.2	V78 S80 Q81 E86 A87 V88 L104	V78-A84 HydrophobicContact CG2-CB 3.78Å; S80-A84 PolarHBondContact O-N 3.13Å; Q81-A84 WeakPolarHBondContact O-CB 3.44Å; Q81-A84 PolarHBondContact O-N 2.72Å; Q81-A84 VanDerWaalsContact O-N 3.14Å; A84-E86 VanDerWaalsContact C-N 3.34Å; A84-E86 PolarHBondContact O-N 2.84Å; A84-A87 PolarHBondContact O-N 2.74Å; A84-V88 WeakPolarHBondContact O-CG2 3.44Å; A84-V88 PolarHBondContact O-N 3.41Å; A84-L104 HydrophobicContact CB-CB 4.08Å; A84-L104 HydrophobicContact CB-CD1 3.95Å
85	E	91.2	Very high	89.1	Confident	118 Å²	118	58 Å²	58	55%	0.551	31%	0.314	S	S	*	.	H	α-helix	trans	-60.6	-42.6	178.8	-71.9	173.9	-170.6	0	0	112	Q81 V88 K89	Q81-E85 WeakPolarHBondContact O-CG 3.3Å; Q81-E85 PolarHBondContact O-N 3.24Å; E85-V88 PolarHBondContact O-N 3.19Å; E85-K89 WeakPolarHBondContact O-CB 3.43Å; E85-K89 PolarHBondContact O-N 3.32Å
86	E	91.4	Very high	89.1	Confident	57 Å²	57	57.4 Å²	57.4	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-39.4	176.9	-159.3	62.6	-150.4	0	0	111.5	H55 I58 A82 A84 V88 K89 V90	H55-E86 IonicContact NE2-OE1 3.45Å; I58-E86 HydrophobicContact CD1-CB 4.27Å; I58-E86 HydrophobicContact CD1-CG 4.21Å; A82-E86 WeakPolarHBondContact O-CB 3.49Å; A82-E86 PolarHBondContact O-N 2.7Å; A84-E86 VanDerWaalsContact C-N 3.34Å; A84-E86 PolarHBondContact O-N 2.84Å; E86-V88 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 3.48Å; E86-K89 WeakPolarHBondContact O-CB 3.33Å; E86-K89 PolarHBondContact O-N 3.48Å; E86-K89 IonicContact OE1-NZ 2.93Å; E86-K89 PolarHBondContact OE1-NZ 3.13Å; E86-K89 IonicContact OE2-NZ 2.63Å; E86-K89 PolarHBondContact OE2-NZ 3.47Å; E86-V90 WeakPolarHBondContact O-CB 3.23Å; E86-V90 VanDerWaalsContact O-CG2 3.28Å; E86-V90 WeakPolarHBondContact O-CG2 3.17Å; E86-V90 PolarHBondContact O-N 3.26Å
87	A	92.1	Very high	89.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-42.4	174.7	0	0	0	0	0	112.4	L52 I58 I63 L74 Q83 A84 K89 V90 A91 L104	L52-A87 HydrophobicContact CD2-CB 3.84Å; I58-A87 HydrophobicContact CD1-CB 4.08Å; I58-A87 HydrophobicContact CG2-CB 4.4Å; I63-A87 HydrophobicContact CD1-CB 3.81Å; L74-A87 HydrophobicContact CD1-CB 4.21Å; L74-A87 WeakPolarHBondContact CD1-O 3.28Å; Q83-A87 WeakPolarHBondContact O-CB 3.48Å; Q83-A87 PolarHBondContact O-N 2.97Å; A84-A87 PolarHBondContact O-N 2.74Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 2.87Å; A87-V90 PolarHBondContact O-N 2.96Å; A87-A91 WeakPolarHBondContact O-CB 3.25Å; A87-A91 PolarHBondContact O-N 2.94Å; A87-L104 HydrophobicContact CB-CD1 3.92Å
88	V	94.5	Very high	89.8	Confident	17 Å²	17	57.5 Å²	57.5	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-41.3	174.5	170.9	0	0	0	0	110.9	L74 A84 E85 E86 A91 K92 V100 D102	L74-V88 HydrophobicContact CD1-CG2 4.09Å; A84-V88 WeakPolarHBondContact O-CG2 3.44Å; A84-V88 PolarHBondContact O-N 3.41Å; E85-V88 PolarHBondContact O-N 3.19Å; E86-V88 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 3.48Å; V88-A91 PolarHBondContact O-N 2.75Å; V88-K92 HydrophobicContact CG1-CD 4.13Å; V88-K92 HydrophobicContact CG1-CG 4.47Å; V88-K92 WeakPolarHBondContact O-CB 3.34Å; V88-K92 VanDerWaalsContact O-CG 3.32Å; V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 2.98Å; V88-V100 HydrophobicContact CB-CG1 4.48Å; V88-V100 HydrophobicContact CG1-CB 4.25Å; V88-V100 HydrophobicContact CG1-CG1 4.06Å; V88-V100 HydrophobicContact CG2-CG1 4.3Å; V88-D102 HydrophobicContact CG2-CB 3.82Å
89	K	93.6	Very high	90.1	Very high	126 Å²	126	60 Å²	60	55%	0.548	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-43.6	178.5	-177.3	-179.8	160.5	-143.9	0	112.3	E85 E86 A87 A91 K92 G93	E85-K89 WeakPolarHBondContact O-CB 3.43Å; E85-K89 PolarHBondContact O-N 3.32Å; E86-K89 WeakPolarHBondContact O-CB 3.33Å; E86-K89 PolarHBondContact O-N 3.48Å; E86-K89 IonicContact OE1-NZ 2.93Å; E86-K89 PolarHBondContact OE1-NZ 3.13Å; E86-K89 IonicContact OE2-NZ 2.63Å; E86-K89 PolarHBondContact OE2-NZ 3.47Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 2.87Å; K89-A91 VanDerWaalsContact C-N 3.35Å; K89-K92 PolarHBondContact O-N 3.01Å; K89-G93 PolarHBondContact O-N 3.23Å
90	V	93.1	Very high	90.7	Very high	22 Å²	22	56.2 Å²	56.2	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-46.9	174	170.4	0	0	0	0	110.3	A51 L52 H55 I58 E86 A87 K92 G93	A51-V90 HydrophobicContact CB-CG1 3.59Å; L52-V90 HydrophobicContact CD2-CB 4.04Å; L52-V90 HydrophobicContact CD2-CG1 3.88Å; L52-V90 HydrophobicContact CG-CG1 4.28Å; H55-V90 HydrophobicContact CB-CG2 4.46Å; H55-V90 VanDerWaalsContact CD2-CG2 3.42Å; H55-V90 WeakPolarHBondContact CD2-CG2 3.27Å; I58-V90 HydrophobicContact CD1-CB 4.47Å; I58-V90 HydrophobicContact CD1-CG2 3.92Å; E86-V90 WeakPolarHBondContact O-CB 3.23Å; E86-V90 VanDerWaalsContact O-CG2 3.28Å; E86-V90 WeakPolarHBondContact O-CG2 3.17Å; E86-V90 PolarHBondContact O-N 3.26Å; A87-V90 PolarHBondContact O-N 2.96Å; V90-K92 PolarHBondContact O-N 2.97Å; V90-G93 PolarHBondContact O-N 3.4Å
91	A	94.1	Very high	90.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-41.8	177.1	0	0	0	0	0	112.6	V48 V72 L74 A87 V88 K89 G93 V94 V97 V100	V48-A91 HydrophobicContact CG1-CB 3.78Å; V72-A91 HydrophobicContact CG1-CB 4.37Å; L74-A91 HydrophobicContact CD1-CB 3.87Å; L74-A91 HydrophobicContact CD2-CB 4.23Å; L74-A91 HydrophobicContact CG-CB 4.34Å; A87-A91 WeakPolarHBondContact O-CB 3.25Å; A87-A91 PolarHBondContact O-N 2.94Å; V88-A91 PolarHBondContact O-N 2.75Å; K89-A91 VanDerWaalsContact C-N 3.35Å; A91-G93 PolarHBondContact O-N 3.06Å; A91-V94 PolarHBondContact O-N 3.17Å; A91-V97 WeakPolarHBondContact O-CG2 3.26Å; A91-V100 HydrophobicContact CB-CG1 4.33Å; A91-V100 HydrophobicContact CB-CG2 3.89Å
92	K	94.6	Very high	91.1	Very high	129 Å²	129	54.2 Å²	54.2	56%	0.561	32%	0.315	S	S	*	.	H	α-helix	trans	-63.1	-28.9	175.4	-77.9	179	-178.7	174.2	0	113	V88 K89 V90 V94 V100	V88-K92 HydrophobicContact CG1-CD 4.13Å; V88-K92 HydrophobicContact CG1-CG 4.47Å; V88-K92 WeakPolarHBondContact O-CB 3.34Å; V88-K92 VanDerWaalsContact O-CG 3.32Å; V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 2.98Å; K89-K92 PolarHBondContact O-N 3.01Å; V90-K92 PolarHBondContact O-N 2.97Å; K92-V94 VanDerWaalsContact C-N 3.27Å; K92-V94 PolarHBondContact O-N 3.38Å; K92-V100 HydrophobicContact CB-CG2 4.33Å; K92-V100 HydrophobicContact CG-CB 4.03Å; K92-V100 HydrophobicContact CG-CG2 3.44Å; K92-V100 VanDerWaalsContact CG-CG2 3.44Å
93	G	92.7	Very high	91.1	Very high	67 Å²	67	57 Å²	57	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.2	179.2	0	0	0	0	0	114.5	K89 V90 A91	K89-G93 PolarHBondContact O-N 3.23Å; V90-G93 PolarHBondContact O-N 3.4Å; A91-G93 PolarHBondContact O-N 3.06Å
94	V	92.4	Very high	90.8	Very high	17 Å²	17	57.1 Å²	57.1	10%	0.103	32%	0.316	C	S	.	.	S	Bend	trans	-77.6	126.1	179.9	174.3	0	0	0	0	110.8	K47 V48 A51 A91 K92 G96 V97	K47-V94 HydrophobicContact CB-CG1 3.44Å; K47-V94 VanDerWaalsContact CB-CG1 3.44Å; K47-V94 HydrophobicContact CD-CG1 4.08Å; K47-V94 HydrophobicContact CG-CG1 4.42Å; V48-V94 HydrophobicContact CB-CG2 4.46Å; V48-V94 HydrophobicContact CG2-CB 3.82Å; V48-V94 HydrophobicContact CG2-CG1 3.93Å; V48-V94 HydrophobicContact CG2-CG2 3.84Å; A51-V94 HydrophobicContact CB-CG2 3.93Å; A91-V94 PolarHBondContact O-N 3.17Å; K92-V94 VanDerWaalsContact C-N 3.27Å; K92-V94 PolarHBondContact O-N 3.38Å; V94-G96 PolarHBondContact O-N 2.85Å; V94-V97 HydrophobicContact CB-CG2 3.96Å; V94-V97 HydrophobicContact CG1-CG2 4.24Å; V94-V97 WeakPolarHBondContact O-CB 3.48Å; V94-V97 WeakPolarHBondContact O-CG2 3.19Å; V94-V97 PolarHBondContact O-N 2.96Å; V94-V97 VanDerWaalsContact O-N 3.14Å
95	E	88.4	Confident	90.4	Very high	151 Å²	151	62.4 Å²	62.4	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	126.3	175.7	-175.2	-165.7	-162.9	0	0	111.6	K47	K47-E95 IonicContact NZ-OE2 2.93Å; K47-E95 PolarHBondContact NZ-OE2 3.31Å
96	G	88.5	Confident	90	Very high	35 Å²	35	59.2 Å²	59.2	36%	0.361	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	102	-15.8	-179.4	0	0	0	0	0	114.1	I44 K70 V94 T98	I44-G96 WeakPolarHBondContact CD1-O 3.34Å; K70-G96 WeakPolarHBondContact CB-O 3.29Å; V94-G96 PolarHBondContact O-N 2.85Å; G96-T98 PolarHBondContact O-N 2.7Å
97	V	92.8	Very high	89.1	Confident	24 Å²	24	61.9 Å²	61.9	15%	0.145	34%	0.336	C	S	.	.			trans	-73.5	123.4	177.4	179.2	0	0	0	0	110.5	I44 V48 V72 A91 V94 S99 V100	I44-V97 HydrophobicContact CG2-CG2 3.53Å; V48-V97 HydrophobicContact CG2-CG2 3.99Å; V72-V97 HydrophobicContact CB-CG1 4.34Å; V72-V97 HydrophobicContact CG2-CB 4.35Å; V72-V97 HydrophobicContact CG2-CG1 3.84Å; V72-V97 HydrophobicContact CG2-CG2 3.62Å; A91-V97 WeakPolarHBondContact O-CG2 3.26Å; V94-V97 HydrophobicContact CB-CG2 3.96Å; V94-V97 HydrophobicContact CG1-CG2 4.24Å; V94-V97 WeakPolarHBondContact O-CB 3.48Å; V94-V97 WeakPolarHBondContact O-CG2 3.19Å; V94-V97 PolarHBondContact O-N 2.96Å; V94-V97 VanDerWaalsContact O-N 3.14Å; V97-S99 WeakPolarHBondContact CG1-O 3.28Å; V97-V100 HydrophobicContact CG1-CG2 3.74Å
98	T	89.2	Confident	87.5	Confident	106 Å²	106	69 Å²	69	65%	0.65	38%	0.375	S	S	*	.			trans	-91.5	-39.7	178.9	-58.4	0	0	0	0	111.8	K70 G96	K70-T98 WeakPolarHBondContact CB-OG1 3.46Å; K70-T98 PolarHBondContact O-N 2.89Å; G96-T98 PolarHBondContact O-N 2.7Å
99	S	91.2	Very high	85.1	Confident	54 Å²	54	72.8 Å²	72.8	38%	0.378	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.7	172.5	65.4	0	0	0	0	110.6	V71 V72 V97	V71-S99 WeakPolarHBondContact CA-O 3.11Å; V71-S99 WeakPolarHBondContact CG1-OG 3.39Å; V71-S99 WeakPolarHBondContact CG2-OG 3.39Å; V72-S99 PolarHBondContact N-O 3.25Å; V97-S99 WeakPolarHBondContact CG1-O 3.28Å
100	V	93.7	Very high	82.3	Confident	21 Å²	21	76.4 Å²	76.4	13%	0.127	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.4	176.6	179.8	0	0	0	0	108.8	V72 L74 V88 A91 K92 V97	V72-V100 HydrophobicContact CB-CG2 4.26Å; V72-V100 CarbonylContact O-C 3.54Å; V72-V100 WeakPolarHBondContact O-CA 3.05Å; L74-V100 HydrophobicContact CD1-CG1 3.97Å; L74-V100 HydrophobicContact CG-CG1 3.97Å; V88-V100 HydrophobicContact CB-CG1 4.48Å; V88-V100 HydrophobicContact CG1-CB 4.25Å; V88-V100 HydrophobicContact CG1-CG1 4.06Å; V88-V100 HydrophobicContact CG2-CG1 4.3Å; A91-V100 HydrophobicContact CB-CG1 4.33Å; A91-V100 HydrophobicContact CB-CG2 3.89Å; K92-V100 HydrophobicContact CB-CG2 4.33Å; K92-V100 HydrophobicContact CG-CB 4.03Å; K92-V100 HydrophobicContact CG-CG2 3.44Å; K92-V100 VanDerWaalsContact CG-CG2 3.44Å; V97-V100 HydrophobicContact CG1-CG2 3.74Å
101	S	87.7	Confident	79.5	Confident	43 Å²	43	81.8 Å²	81.8	30%	0.301	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.8	168.2	-179.7	0	0	0	0	108.5	V72 T73 L74	V72-S101 PolarHBondContact O-N 2.93Å; T73-S101 WeakPolarHBondContact CA-O 3.28Å; L74-S101 PolarHBondContact N-O 2.92Å
102	D	89.3	Confident	76.8	Confident	70 Å²	70	85 Å²	85	37%	0.374	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.1	174.7	-173.5	3.8	0	0	0	110.2	V88 L104	V88-D102 HydrophobicContact CG2-CB 3.82Å; D102-L104 VanDerWaalsContact OD1-CB 3.27Å; D102-L104 WeakPolarHBondContact OD1-CB 3.42Å; D102-L104 WeakPolarHBondContact OD1-CG 3.34Å; D102-L104 PolarHBondContact OD1-N 2.83Å
103	K	85.6	Confident	74.3	Confident	123 Å²	123	84.6 Å²	84.6	54%	0.535	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	30.1	170.7	-58.3	-169.5	178.8	-173.9	0	110.3	T73 L74 S75	T73-K103 HydrophobicContact CG2-CD 3.85Å; T73-K103 HydrophobicContact CG2-CG 4.1Å; L74-K103 CarbonylContact O-C 3.5Å; L74-K103 VanDerWaalsContact O-CA 3.3Å; L74-K103 WeakPolarHBondContact O-CA 3.46Å; L74-K103 WeakPolarHBondContact O-CB 3.24Å; L74-K103 PolarHBondContact O-N 3.34Å; S75-K103 WeakPolarHBondContact CA-O 3.3Å
104	L	83.2	Confident	71.9	Confident	18 Å²	18	87.1 Å²	87.1	9%	0.094	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.1	176.4	-62.8	171.4	0	0	0	110.1	I63 L74 V78 A84 A87 D102	I63-L104 HydrophobicContact CB-CD2 4.4Å; I63-L104 HydrophobicContact CD1-CD2 4.31Å; I63-L104 HydrophobicContact CG1-CD2 3.93Å; I63-L104 HydrophobicContact CG2-CD2 3.92Å; L74-L104 HydrophobicContact CB-CD1 4.16Å; L74-L104 HydrophobicContact CB-CD2 4.2Å; L74-L104 HydrophobicContact CB-CG 4.06Å; L74-L104 HydrophobicContact CD1-CD1 4.34Å; V78-L104 HydrophobicContact CG1-CB 4.38Å; V78-L104 HydrophobicContact CG1-CD1 4.11Å; V78-L104 HydrophobicContact CG1-CD2 4.28Å; A84-L104 HydrophobicContact CB-CB 4.08Å; A84-L104 HydrophobicContact CB-CD1 3.95Å; A87-L104 HydrophobicContact CB-CD1 3.92Å; D102-L104 VanDerWaalsContact OD1-CB 3.27Å; D102-L104 WeakPolarHBondContact OD1-CB 3.42Å; D102-L104 WeakPolarHBondContact OD1-CG 3.34Å; D102-L104 PolarHBondContact OD1-N 2.83Å
105	H	80.1	Confident	69.5	Low	113 Å²	113	92.4 Å²	92.4	52%	0.523	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.1	175.9	-67.9	-81.6	0	0	0	110.1	G76 F77 V78 R107	G76-H105 PolarHBondContact O-N 3.25Å; F77-H105 CarbonylContact C-O 3.56Å; F77-H105 VanDerWaalsContact CA-O 3.28Å; F77-H105 WeakPolarHBondContact CA-O 3Å; F77-H105 HydrophobicContact CD1-CB 3.98Å; F77-H105 HydrophobicContact CE1-CB 4.11Å; V78-H105 PolarHBondContact N-O 3.44Å; H105-R107 PolarHBondContact O-N 3.25Å
106	V	81.8	Confident	67.5	Low	51 Å²	51	87.3 Å²	87.3	31%	0.309	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.5	172.9	-177.4	0	0	0	0	108.8	V78 Q81 D108	V78-V106 HydrophobicContact CG2-CB 4.47Å; V78-V106 HydrophobicContact CG2-CG2 3.92Å; V78-V106 CarbonylContact O-C 3.59Å; V78-V106 WeakPolarHBondContact O-CA 3.42Å; Q81-V106 HydrophobicContact CB-CG2 4.19Å; V106-D108 PolarHBondContact O-N 3.43Å
107	R	73.4	Confident	65.4	Low	112 Å²	112	92.5 Å²	92.5	42%	0.423	51%	0.514	S	S	.	.			trans	-68.5	115.3	172.5	-70.4	-174.8	171.8	147.9	5.2	108.5	D62 F77 V78 H105 A109	D62-R107 IonicContact OD2-CZ 2.7Å; D62-R107 IonicContact OD2-NH1 2.7Å; D62-R107 PolarHBondContact OD2-NH1 3.31Å; D62-R107 IonicContact OD2-NH2 2.64Å; D62-R107 PolarHBondContact OD2-NH2 3.45Å; F77-R107 HydrophobicContact CB-CG 3.93Å; F77-R107 HydrophobicContact CD1-CG 4.04Å; F77-R107 HydrophobicContact CG-CG 4.31Å; V78-R107 PolarHBondContact O-N 3.14Å; H105-R107 PolarHBondContact O-N 3.25Å; R107-A109 PolarHBondContact O-N 2.92Å; R107-A109 VanDerWaalsContact O-N 3.09Å
108	D	58.1	Low	63.5	Low	150 Å²	150	94.3 Å²	94.3	80%	0.802	53%	0.532	S	S	*	.			trans	-60.5	115.6	168.8	-72.1	-41	0	0	0	109.5	V106 K110	V106-D108 PolarHBondContact O-N 3.43Å; D108-K110 PolarHBondContact O-N 3.38Å; D108-K110 VanDerWaalsContact O-N 3.08Å
109	A	43.9	Very low	62.4	Low	97 Å²	97	90.8 Å²	90.8	80%	0.802	52%	0.517	S	S	*	.	S	Bend	trans	-64.3	111.7	173.5	0	0	0	0	0	108.6	R107	R107-A109 PolarHBondContact O-N 2.92Å; R107-A109 VanDerWaalsContact O-N 3.09Å
110	K	35	Very low	61.7	Low	201 Å²	201	89 Å²	89	87%	0.874	50%	0.503	S	S	*	.	S	Bend	trans	81.2	77.6	175.2	-52.7	176.3	178	177.2	0	115.7	D108	D108-K110 PolarHBondContact O-N 3.38Å; D108-K110 VanDerWaalsContact O-N 3.08Å
111	E	33.7	Very low	60.9	Low	136 Å²	136	92.2 Å²	92.2	64%	0.636	52%	0.523	S	S	*	.			trans	-158.2	73.6	134.2	-107.2	178.6	177.3	0	0	108.6	S113 K115	E111-S113 PolarHBondContact O-N 3.41Å; E111-K115 IonicContact OE1-NZ 3.64Å; E111-K115 PolarHBondContact OE1-NZ 3.42Å; E111-K115 WeakPolarHBondContact OE2-CD 3.37Å; E111-K115 WeakPolarHBondContact OE2-CE 3.47Å; E111-K115 IonicContact OE2-NZ 3.27Å; E111-K115 PolarHBondContact OE2-NZ 3.04Å
112	G	37.9	Very low	60.5	Low	66 Å²	66	93 Å²	93	68%	0.68	53%	0.532	S	S	*	.			trans	-67.9	127.1	178.1	0	0	0	0	0	112.1	V114	G112-V114 PolarHBondContact O-N 3.4Å
113	S	41.4	Very low	60.2	Low	122 Å²	122	90.5 Å²	90.5	85%	0.853	52%	0.519	S	S	*	.	S	Bend	trans	79.4	1.7	146.5	69.6	0	0	0	0	122.1	E111	E111-S113 PolarHBondContact O-N 3.41Å
114	V	42.7	Very low	60.1	Low	120 Å²	120	85.5 Å²	85.5	73%	0.727	50%	0.499	S	S	*	.	S	Bend	trans	-121.4	-24.3	175.7	-172.2	0	0	0	0	114.4	G112	G112-V114 PolarHBondContact O-N 3.4Å
115	K	41.1	Very low	60.2	Low	127 Å²	127	87.9 Å²	87.9	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-86.3	-23	-173.8	-105.8	173.7	-179.4	171.9	0	116.4	E111 Y117 A118 G119	E111-K115 IonicContact OE1-NZ 3.64Å; E111-K115 PolarHBondContact OE1-NZ 3.42Å; E111-K115 WeakPolarHBondContact OE2-CD 3.37Å; E111-K115 WeakPolarHBondContact OE2-CE 3.47Å; E111-K115 IonicContact OE2-NZ 3.27Å; E111-K115 PolarHBondContact OE2-NZ 3.04Å; K115-Y117 PolarHBondContact O-N 3.24Å; K115-A118 PolarHBondContact O-N 3.41Å; K115-G119 PolarHBondContact O-N 3.48Å
116	G	46.7	Very low	60.5	Low	44 Å²	44	86.6 Å²	86.6	45%	0.454	51%	0.511	S	S	.	.	H	α-helix	trans	-59	-46	-178.1	0	0	0	0	0	113.2	A118 G119 D120	G116-A118 PolarHBondContact O-N 3.48Å; G116-G119 PolarHBondContact O-N 3.13Å; G116-D120 PolarHBondContact O-N 2.96Å
117	Y	45.1	Very low	60.8	Low	144 Å²	144	84.2 Å²	84.2	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-67.5	-35.4	177.5	-80.1	-82.5	0	0	0	113.8	K115 G119 T121 L499	K115-Y117 PolarHBondContact O-N 3.24Å; Y117-G119 VanDerWaalsContact C-N 3.34Å; Y117-T121 WeakPolarHBondContact O-CB 3.27Å; Y117-T121 PolarHBondContact O-N 2.88Å; Y117-T121 PolarHBondContact O-OG1 3.42Å; Y117-L499 WeakPolarHBondContact OH-CD1 3.35Å; Y117-L499 VanDerWaalsContact OH-CD2 3.29Å; Y117-L499 WeakPolarHBondContact OH-CD2 3.38Å
118	A	52.5	Low	61.5	Low	63 Å²	63	83.4 Å²	83.4	52%	0.521	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-37.6	174.8	0	0	0	0	0	111.1	K115 G116 A122	K115-A118 PolarHBondContact O-N 3.41Å; G116-A118 PolarHBondContact O-N 3.48Å; A118-A122 WeakPolarHBondContact O-CB 3.41Å; A118-A122 PolarHBondContact O-N 2.71Å; A118-A122 VanDerWaalsContact O-N 3.13Å
119	G	66.1	Low	62.9	Low	32 Å²	32	79.1 Å²	79.1	33%	0.33	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-53.5	175.1	0	0	0	0	0	112.4	K115 G116 Y117 T121 A122 T123	K115-G119 PolarHBondContact O-N 3.48Å; G116-G119 PolarHBondContact O-N 3.13Å; Y117-G119 VanDerWaalsContact C-N 3.34Å; G119-T121 VanDerWaalsContact C-N 3.28Å; G119-T121 PolarHBondContact O-N 3.05Å; G119-A122 CarbonylContact O-C 3.56Å; G119-A122 WeakPolarHBondContact O-CA 3.3Å; G119-A122 WeakPolarHBondContact O-CB 3.42Å; G119-A122 PolarHBondContact O-N 3.04Å; G119-A122 VanDerWaalsContact O-N 3.07Å; G119-T123 PolarHBondContact O-N 2.97Å; G119-T123 PolarHBondContact O-OG1 3.31Å
120	D	77.1	Confident	65	Low	16 Å²	16	78 Å²	78	9%	0.086	46%	0.459	C	S	.	.	H	α-helix	trans	-61.4	-36.8	-178	-71.6	-15.3	0	0	0	113	G116 T124 T146 T147 D148 G149	G116-D120 PolarHBondContact O-N 2.96Å; D120-T124 VanDerWaalsContact O-CB 3.23Å; D120-T124 WeakPolarHBondContact O-CB 3.5Å; D120-T124 PolarHBondContact O-N 3.1Å; D120-T124 PolarHBondContact O-OG1 2.93Å; D120-T146 HydrophobicContact CB-CG2 4Å; D120-T146 WeakPolarHBondContact O-CB 3.34Å; D120-T146 WeakPolarHBondContact OD1-CG2 3.48Å; D120-T147 VanDerWaalsContact OD2-CA 3.28Å; D120-T147 WeakPolarHBondContact OD2-CA 3.48Å; D120-D148 PolarHBondContact OD1-N 3.31Å; D120-D148 PolarHBondContact OD2-N 3.49Å; D120-G149 PolarHBondContact OD1-N 3.06Å
121	T	77.2	Confident	67.6	Low	89 Å²	89	68.6 Å²	68.6	55%	0.546	42%	0.418	S	S	.	.	H	α-helix	trans	-67.9	-41.6	176.4	-54.6	0	0	0	0	110.7	Y117 G119 S125	Y117-T121 WeakPolarHBondContact O-CB 3.27Å; Y117-T121 PolarHBondContact O-N 2.88Å; Y117-T121 PolarHBondContact O-OG1 3.42Å; G119-T121 VanDerWaalsContact C-N 3.28Å; G119-T121 PolarHBondContact O-N 3.05Å; T121-S125 VanDerWaalsContact O-CB 3.3Å; T121-S125 WeakPolarHBondContact O-CB 3.4Å; T121-S125 PolarHBondContact O-N 2.76Å; T121-S125 PolarHBondContact O-OG 3.16Å
122	A	79.5	Confident	70.2	Confident	58 Å²	58	68.2 Å²	68.2	48%	0.479	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-48.8	174.3	0	0	0	0	0	111.3	A118 G119 T124 S125 E126	A118-A122 WeakPolarHBondContact O-CB 3.41Å; A118-A122 PolarHBondContact O-N 2.71Å; A118-A122 VanDerWaalsContact O-N 3.13Å; G119-A122 CarbonylContact O-C 3.56Å; G119-A122 WeakPolarHBondContact O-CA 3.3Å; G119-A122 WeakPolarHBondContact O-CB 3.42Å; G119-A122 PolarHBondContact O-N 3.04Å; G119-A122 VanDerWaalsContact O-N 3.07Å; A122-T124 PolarHBondContact O-N 2.7Å; A122-S125 PolarHBondContact O-N 2.64Å; A122-S125 VanDerWaalsContact O-N 3.13Å; A122-E126 WeakPolarHBondContact O-CB 3.28Å; A122-E126 PolarHBondContact O-N 2.8Å
123	T	82	Confident	72.5	Confident	19 Å²	19	68.8 Å²	68.8	12%	0.117	42%	0.418	C	S	.	.	H	α-helix	trans	-58.5	-47.8	176.6	-56.8	0	0	0	0	111.7	G119 S125 E126 I127 T146 V151 V173 V176	G119-T123 PolarHBondContact O-N 2.97Å; G119-T123 PolarHBondContact O-OG1 3.31Å; T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 PolarHBondContact O-N 3.32Å; T123-E126 PolarHBondContact O-N 3.31Å; T123-I127 HydrophobicContact CG2-CD1 3.9Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.31Å; T123-I127 PolarHBondContact O-N 2.88Å; T123-T146 HydrophobicContact CG2-CG2 3.99Å; T123-V151 HydrophobicContact CG2-CG2 3.88Å; T123-V173 HydrophobicContact CG2-CG1 4.07Å; T123-V176 HydrophobicContact CG2-CG2 3.74Å
124	T	83.6	Confident	74.7	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.11	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-40.8	176.5	-58.4	0	0	0	0	111.5	D120 A122 K128 V144 T146	D120-T124 VanDerWaalsContact O-CB 3.23Å; D120-T124 WeakPolarHBondContact O-CB 3.5Å; D120-T124 PolarHBondContact O-N 3.1Å; D120-T124 PolarHBondContact O-OG1 2.93Å; A122-T124 PolarHBondContact O-N 2.7Å; T124-K128 HydrophobicContact CG2-CD 4.09Å; T124-K128 WeakPolarHBondContact O-CB 3.48Å; T124-K128 VanDerWaalsContact O-CG 3.27Å; T124-K128 WeakPolarHBondContact O-CG 3.41Å; T124-K128 PolarHBondContact O-N 2.98Å; T124-V144 HydrophobicContact CG2-CB 4.44Å; T124-V144 HydrophobicContact CG2-CG1 4.36Å; T124-V144 WeakPolarHBondContact CG2-O 3.33Å; T124-T146 PolarHBondContact N-OG1 2.96Å; T124-T146 WeakPolarHBondContact OG1-CB 3.36Å; T124-T146 PolarHBondContact OG1-N 2.97Å; T124-T146 PolarHBondContact OG1-OG1 3.31Å
125	S	84.7	Confident	76.7	Confident	67 Å²	67	66.3 Å²	66.3	47%	0.469	39%	0.391	S	S	.	.	H	α-helix	trans	-70.3	-40.8	-179.3	-59.3	0	0	0	0	111.7	T121 A122 T123 K128 A129	T121-S125 VanDerWaalsContact O-CB 3.3Å; T121-S125 WeakPolarHBondContact O-CB 3.4Å; T121-S125 PolarHBondContact O-N 2.76Å; T121-S125 PolarHBondContact O-OG 3.16Å; A122-S125 PolarHBondContact O-N 2.64Å; A122-S125 VanDerWaalsContact O-N 3.13Å; T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 PolarHBondContact O-N 3.32Å; S125-K128 PolarHBondContact O-N 3.14Å; S125-A129 WeakPolarHBondContact O-CB 3.43Å; S125-A129 PolarHBondContact O-N 2.8Å
126	E	86.5	Confident	78.7	Confident	87 Å²	87	64.4 Å²	64.4	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-64.1	-47.4	177	-172.4	179	165.2	0	0	111.3	A122 T123 K128 A129 K130 V173	A122-E126 WeakPolarHBondContact O-CB 3.28Å; A122-E126 PolarHBondContact O-N 2.8Å; T123-E126 PolarHBondContact O-N 3.31Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.25Å; E126-A129 PolarHBondContact O-N 2.77Å; E126-K130 HydrophobicContact CG-CD 4.41Å; E126-K130 WeakPolarHBondContact O-CG 3.36Å; E126-K130 PolarHBondContact O-N 3.25Å; E126-K130 WeakPolarHBondContact OE1-CE 3.39Å; E126-K130 IonicContact OE1-NZ 2.91Å; E126-K130 PolarHBondContact OE1-NZ 3.06Å; E126-V173 HydrophobicContact CB-CG1 4.49Å; E126-V173 HydrophobicContact CG-CG1 4.41Å; E126-V173 HydrophobicContact CG-CG2 3.98Å
127	I	87.8	Confident	80.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-42.3	178.4	-64.2	171.7	0	0	0	110.5	T123 A129 K130 L131 V144 V151 L153 A170 V173	T123-I127 HydrophobicContact CG2-CD1 3.9Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.31Å; T123-I127 PolarHBondContact O-N 2.88Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 3.47Å; I127-K130 PolarHBondContact O-N 2.89Å; I127-L131 HydrophobicContact CG2-CD1 3.92Å; I127-L131 HydrophobicContact CG2-CG 4.26Å; I127-L131 WeakPolarHBondContact O-CB 3.46Å; I127-L131 VanDerWaalsContact O-CG 3.26Å; I127-L131 WeakPolarHBondContact O-CG 3.29Å; I127-L131 PolarHBondContact O-N 3.08Å; I127-V144 HydrophobicContact CB-CG1 3.94Å; I127-V144 HydrophobicContact CD1-CG1 4.35Å; I127-V144 HydrophobicContact CG2-CB 4.4Å; I127-V144 HydrophobicContact CG2-CG1 3.67Å; I127-V144 HydrophobicContact CG2-CG2 3.84Å; I127-V151 HydrophobicContact CD1-CB 4.11Å; I127-V151 HydrophobicContact CD1-CG1 3.85Å; I127-V151 HydrophobicContact CD1-CG2 3.3Å; I127-L153 HydrophobicContact CG2-CD2 4.28Å; I127-A170 HydrophobicContact CD1-CB 4.08Å; I127-A170 HydrophobicContact CG1-CB 4.48Å; I127-A170 HydrophobicContact CG2-CB 3.94Å; I127-V173 HydrophobicContact CD1-CB 4.34Å; I127-V173 HydrophobicContact CD1-CG2 4.5Å; I127-V173 HydrophobicContact CG1-CB 3.93Å; I127-V173 HydrophobicContact CG1-CG1 4.26Å; I127-V173 HydrophobicContact CG1-CG2 3.59Å
128	K	89.2	Confident	82.3	Confident	95 Å²	95	57.4 Å²	57.4	41%	0.413	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-42	174.5	-77.6	175.6	-177.6	167.1	0	112	T124 S125 E126 L131 L132 V144	T124-K128 HydrophobicContact CG2-CD 4.09Å; T124-K128 WeakPolarHBondContact O-CB 3.48Å; T124-K128 VanDerWaalsContact O-CG 3.27Å; T124-K128 WeakPolarHBondContact O-CG 3.41Å; T124-K128 PolarHBondContact O-N 2.98Å; S125-K128 PolarHBondContact O-N 3.14Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.25Å; K128-L131 PolarHBondContact O-N 3.45Å; K128-L132 WeakPolarHBondContact O-CB 3.43Å; K128-L132 WeakPolarHBondContact O-CD1 3.45Å; K128-L132 PolarHBondContact O-N 3.39Å; K128-V144 VanDerWaalsContact CE-O 3.28Å; K128-V144 WeakPolarHBondContact CE-O 3.45Å; K128-V144 HydrophobicContact CG-CB 3.96Å; K128-V144 HydrophobicContact CG-CG2 3.82Å; K128-V144 PolarHBondContact NZ-O 3.4Å
129	A	87.8	Confident	83.7	Confident	61 Å²	61	55.6 Å²	55.6	50%	0.504	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-44.2	177.3	0	0	0	0	0	111.7	S125 E126 I127 L132 A133	S125-A129 WeakPolarHBondContact O-CB 3.43Å; S125-A129 PolarHBondContact O-N 2.8Å; E126-A129 PolarHBondContact O-N 2.77Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 3.47Å; A129-L132 PolarHBondContact O-N 3.45Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.86Å
130	K	88.7	Confident	84.5	Confident	74 Å²	74	65.5 Å²	65.5	32%	0.322	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-38.2	176.9	-68.4	-176.2	-178	177.1	0	112.6	E126 I127 A133 D134 I169 A172 V173	E126-K130 HydrophobicContact CG-CD 4.41Å; E126-K130 WeakPolarHBondContact O-CG 3.36Å; E126-K130 PolarHBondContact O-N 3.25Å; E126-K130 WeakPolarHBondContact OE1-CE 3.39Å; E126-K130 IonicContact OE1-NZ 2.91Å; E126-K130 PolarHBondContact OE1-NZ 3.06Å; I127-K130 PolarHBondContact O-N 2.89Å; K130-A133 PolarHBondContact O-N 2.86Å; K130-D134 PolarHBondContact O-N 3.09Å; K130-I169 HydrophobicContact CB-CG2 3.41Å; K130-I169 VanDerWaalsContact CB-CG2 3.41Å; K130-I169 HydrophobicContact CD-CG2 4.49Å; K130-A172 PolarHBondContact NZ-O 3.06Å; K130-V173 HydrophobicContact CD-CG2 3.93Å
131	L	88.8	Confident	84.7	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-66.2	-40.5	173	-71	172.4	0	0	0	111.4	I127 K128 A133 D134 V137 S139 V142 V144 L153 A166 I169	I127-L131 HydrophobicContact CG2-CD1 3.92Å; I127-L131 HydrophobicContact CG2-CG 4.26Å; I127-L131 WeakPolarHBondContact O-CB 3.46Å; I127-L131 VanDerWaalsContact O-CG 3.26Å; I127-L131 WeakPolarHBondContact O-CG 3.29Å; I127-L131 PolarHBondContact O-N 3.08Å; K128-L131 PolarHBondContact O-N 3.45Å; L131-A133 VanDerWaalsContact C-N 3.26Å; L131-A133 PolarHBondContact O-N 3.2Å; L131-D134 PolarHBondContact O-N 2.89Å; L131-V137 HydrophobicContact CD2-CB 4.3Å; L131-V137 HydrophobicContact CD2-CG1 3.93Å; L131-V137 HydrophobicContact CD2-CG2 4.44Å; L131-S139 WeakPolarHBondContact O-CB 3.43Å; L131-V142 HydrophobicContact CD1-CB 4.47Å; L131-V142 HydrophobicContact CD1-CG1 3.93Å; L131-V144 HydrophobicContact CD1-CG2 3.36Å; L131-L153 HydrophobicContact CD1-CD2 4.32Å; L131-A166 HydrophobicContact CD2-CB 3.99Å; L131-I169 HydrophobicContact CD2-CB 4.11Å; L131-I169 HydrophobicContact CD2-CD1 3.85Å; L131-I169 HydrophobicContact CD2-CG2 3.94Å; L131-I169 HydrophobicContact CG-CG2 4.02Å
132	L	88.2	Confident	84.9	Confident	129 Å²	129	66.8 Å²	66.8	68%	0.675	36%	0.362	S	S	*	.	H	α-helix	trans	-63.6	-32.1	176.5	-104.5	100.3	0	0	0	112.9	K128 A129 D134	K128-L132 WeakPolarHBondContact O-CB 3.43Å; K128-L132 WeakPolarHBondContact O-CD1 3.45Å; K128-L132 PolarHBondContact O-N 3.39Å; A129-L132 PolarHBondContact O-N 3.45Å; L132-D134 VanDerWaalsContact C-N 3.33Å
133	A	86	Confident	85	Confident	78 Å²	78	66.8 Å²	66.8	65%	0.645	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.1	179	0	0	0	0	0	113.7	A129 K130 L131	A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.86Å; K130-A133 PolarHBondContact O-N 2.86Å; L131-A133 VanDerWaalsContact C-N 3.26Å; L131-A133 PolarHBondContact O-N 3.2Å
134	D	87.2	Confident	85.1	Confident	19 Å²	19	65.9 Å²	65.9	10%	0.102	35%	0.346	C	S	.	.			trans	-96	121.7	-179.6	-170.6	-96.5	0	0	0	111.3	K130 L131 L132 I136 V137 R165 I169	K130-D134 PolarHBondContact O-N 3.09Å; L131-D134 PolarHBondContact O-N 2.89Å; L132-D134 VanDerWaalsContact C-N 3.33Å; D134-I136 PolarHBondContact O-N 3.43Å; D134-I136 WeakPolarHBondContact OD1-CA 3.32Å; D134-I136 VanDerWaalsContact OD1-CB 3.3Å; D134-I136 WeakPolarHBondContact OD1-CB 3.44Å; D134-I136 PolarHBondContact OD1-N 2.91Å; D134-V137 WeakPolarHBondContact OD1-CG2 3.49Å; D134-V137 PolarHBondContact OD1-N 3.31Å; D134-R165 WeakPolarHBondContact OD1-CG 3.49Å; D134-R165 IonicContact OD1-NE 3.81Å; D134-R165 IonicContact OD2-CZ 3.21Å; D134-R165 IonicContact OD2-NE 2.74Å; D134-R165 PolarHBondContact OD2-NE 2.99Å; D134-R165 IonicContact OD2-NH2 2.8Å; D134-R165 PolarHBondContact OD2-NH2 3.25Å; D134-I169 HydrophobicContact CB-CD1 3.5Å
135	D	85.9	Confident	84.7	Confident	170 Å²	170	67.7 Å²	67.7	91%	0.909	35%	0.353	S	S	*	.	S	Bend	trans	-74.2	-13.8	-177.5	-64.6	-31.6	0	0	0	113.5
136	I	83.2	Confident	84.3	Confident	87 Å²	87	65 Å²	65	45%	0.446	33%	0.334	S	S	.	.	S	Bend	trans	-89.5	-45.9	-177.5	-58.6	171.6	0	0	0	109.5	D134 P138 Q162 R165	D134-I136 PolarHBondContact O-N 3.43Å; D134-I136 WeakPolarHBondContact OD1-CA 3.32Å; D134-I136 VanDerWaalsContact OD1-CB 3.3Å; D134-I136 WeakPolarHBondContact OD1-CB 3.44Å; D134-I136 PolarHBondContact OD1-N 2.91Å; I136-P138 WeakPolarHBondContact O-CD 3.36Å; I136-Q162 HydrophobicContact CG2-CG 4.02Å; I136-Q162 VanDerWaalsContact O-CG 3.3Å; I136-Q162 WeakPolarHBondContact O-CG 3.32Å; I136-Q162 PolarHBondContact O-NE2 3.42Å; I136-Q162 VanDerWaalsContact O-NE2 3.09Å; I136-R165 HydrophobicContact CB-CG 4.2Å; I136-R165 HydrophobicContact CD1-CG 4.44Å; I136-R165 HydrophobicContact CG2-CB 4.34Å; I136-R165 HydrophobicContact CG2-CG 4.32Å
137	V	83.4	Confident	83.3	Confident	3 Å²	3	64 Å²	64	2%	0.018	33%	0.333	C	S	.	.	S	Bend	trans	-84.7	119.5	-176.6	-175.2	0	0	0	0	110.8	L131 D134 S139 V142 R165 A166 I169	L131-V137 HydrophobicContact CD2-CB 4.3Å; L131-V137 HydrophobicContact CD2-CG1 3.93Å; L131-V137 HydrophobicContact CD2-CG2 4.44Å; D134-V137 WeakPolarHBondContact OD1-CG2 3.49Å; D134-V137 PolarHBondContact OD1-N 3.31Å; V137-S139 PolarHBondContact O-N 2.85Å; V137-V142 HydrophobicContact CG1-CG2 3.69Å; V137-R165 HydrophobicContact CG2-CB 3.69Å; V137-R165 HydrophobicContact CG2-CG 3.59Å; V137-A166 HydrophobicContact CG1-CB 3.94Å; V137-A166 HydrophobicContact CG2-CB 4.01Å; V137-I169 HydrophobicContact CG2-CD1 4.17Å
138	P	84	Confident	82.1	Confident	38 Å²	38	70 Å²	70	25%	0.247	37%	0.365	C	S	.	.			trans	-71.3	83	172.7	29.8	-33.3	0	0	0	109.5	I136 R140 H141 V157	I136-P138 WeakPolarHBondContact O-CD 3.36Å; P138-R140 PolarHBondContact O-N 3.45Å; P138-H141 PolarHBondContact O-N 3.5Å; P138-V157 HydrophobicContact CG-CG1 4.34Å
139	S	80.4	Confident	81.1	Confident	26 Å²	26	66.4 Å²	66.4	18%	0.182	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-52.6	-30.5	-173.8	56.9	0	0	0	0	114.3	L131 V137 H141 V142	L131-S139 WeakPolarHBondContact O-CB 3.43Å; V137-S139 PolarHBondContact O-N 2.85Å; S139-H141 PolarHBondContact O-N 3.23Å; S139-V142 PolarHBondContact O-N 3.33Å; S139-V142 VanDerWaalsContact O-N 3.12Å
140	R	82.7	Confident	80	Confident	240 Å²	240	66.4 Å²	66.4	91%	0.906	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62.2	-24.1	174.8	-67.7	-177.3	176.3	155.5	0.3	113.5	P138	P138-R140 PolarHBondContact O-N 3.45Å
141	H	82.2	Confident	79.5	Confident	113 Å²	113	62.9 Å²	62.9	52%	0.523	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-100.1	0.4	178.4	-57.7	174.4	0	0	0	112.7	P138 S139 G155 T156	P138-H141 PolarHBondContact O-N 3.5Å; S139-H141 PolarHBondContact O-N 3.23Å; H141-G155 VanDerWaalsContact O-CA 3.25Å; H141-G155 WeakPolarHBondContact O-CA 3.28Å; H141-T156 VanDerWaalsContact CB-O 3.3Å; H141-T156 WeakPolarHBondContact CB-O 3.49Å; H141-T156 PolarHBondContact O-N 3.18Å
142	V	80.8	Confident	78.8	Confident	19 Å²	19	65 Å²	65	12%	0.115	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.3	178.8	-177.3	0	0	0	0	109.8	L131 V137 S139 L153 S154 V157	L131-V142 HydrophobicContact CD1-CB 4.47Å; L131-V142 HydrophobicContact CD1-CG1 3.93Å; V137-V142 HydrophobicContact CG1-CG2 3.69Å; S139-V142 PolarHBondContact O-N 3.33Å; S139-V142 VanDerWaalsContact O-N 3.12Å; V142-L153 HydrophobicContact CG1-CD2 4.25Å; V142-S154 CarbonylContact C-O 3.59Å; V142-V157 HydrophobicContact CG2-CG1 3.91Å
143	K	81.8	Confident	78.4	Confident	57 Å²	57	59.1 Å²	59.1	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.3	175.3	-173.4	-170.2	-178	-138.7	0	109.5	E145 L153 S154	K143-E145 VanDerWaalsContact CE-CD 3.41Å; K143-E145 WeakPolarHBondContact CE-OE1 3.25Å; K143-E145 IonicContact NZ-OE1 3.06Å; K143-E145 PolarHBondContact NZ-OE1 3.45Å; K143-E145 IonicContact NZ-OE2 2.71Å; K143-E145 PolarHBondContact NZ-OE2 2.98Å; K143-L153 WeakPolarHBondContact O-CA 3.36Å; K143-S154 PolarHBondContact N-O 3.49Å; K143-S154 PolarHBondContact O-N 2.93Å
144	V	84.8	Confident	78	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.8	175.5	-168.1	0	0	0	0	109.4	T124 I127 K128 L131 V151 L153	T124-V144 HydrophobicContact CG2-CB 4.44Å; T124-V144 HydrophobicContact CG2-CG1 4.36Å; T124-V144 WeakPolarHBondContact CG2-O 3.33Å; I127-V144 HydrophobicContact CB-CG1 3.94Å; I127-V144 HydrophobicContact CD1-CG1 4.35Å; I127-V144 HydrophobicContact CG2-CB 4.4Å; I127-V144 HydrophobicContact CG2-CG1 3.67Å; I127-V144 HydrophobicContact CG2-CG2 3.84Å; K128-V144 VanDerWaalsContact CE-O 3.28Å; K128-V144 WeakPolarHBondContact CE-O 3.45Å; K128-V144 HydrophobicContact CG-CB 3.96Å; K128-V144 HydrophobicContact CG-CG2 3.82Å; K128-V144 PolarHBondContact NZ-O 3.4Å; L131-V144 HydrophobicContact CD1-CG2 3.36Å; V144-V151 HydrophobicContact CG1-CG1 3.8Å; V144-L153 HydrophobicContact CB-CD2 4.2Å; V144-L153 HydrophobicContact CG1-CD2 4.02Å; V144-L153 HydrophobicContact CG2-CD2 3.69Å
145	E	75	Confident	77.6	Confident	55 Å²	55	58.5 Å²	58.5	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134	169.5	-70.1	-179.6	153.6	0	0	108.9	K143 V151 Q152	K143-E145 VanDerWaalsContact CE-CD 3.41Å; K143-E145 WeakPolarHBondContact CE-OE1 3.25Å; K143-E145 IonicContact NZ-OE1 3.06Å; K143-E145 PolarHBondContact NZ-OE1 3.45Å; K143-E145 IonicContact NZ-OE2 2.71Å; K143-E145 PolarHBondContact NZ-OE2 2.98Å; E145-V151 WeakPolarHBondContact O-CA 3.43Å; E145-Q152 PolarHBondContact N-O 3.31Å; E145-Q152 VanDerWaalsContact N-O 3.13Å; E145-Q152 PolarHBondContact O-N 3Å
146	T	75.3	Confident	77.1	Confident	12 Å²	12	54.6 Å²	54.6	7%	0.074	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.7	173.5	-44.8	0	0	0	0	109	D120 T123 T124 V150 V151	D120-T146 HydrophobicContact CB-CG2 4Å; D120-T146 WeakPolarHBondContact O-CB 3.34Å; D120-T146 WeakPolarHBondContact OD1-CG2 3.48Å; T123-T146 HydrophobicContact CG2-CG2 3.99Å; T124-T146 PolarHBondContact N-OG1 2.96Å; T124-T146 WeakPolarHBondContact OG1-CB 3.36Å; T124-T146 PolarHBondContact OG1-N 2.97Å; T124-T146 PolarHBondContact OG1-OG1 3.31Å; T146-V150 CarbonylContact C-O 3.59Å; T146-V150 VanDerWaalsContact CA-O 3.28Å; T146-V150 WeakPolarHBondContact CA-O 3.49Å; T146-V151 HydrophobicContact CG2-CG2 3.83Å; T146-V151 VanDerWaalsContact OG1-CG2 3.25Å; T146-V151 WeakPolarHBondContact OG1-CG2 3.44Å
147	T	66.9	Low	77	Confident	64 Å²	64	52.3 Å²	52.3	39%	0.393	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	122	175.2	-57.8	0	0	0	0	109.2	D120 G149 V150	D120-T147 VanDerWaalsContact OD2-CA 3.28Å; D120-T147 WeakPolarHBondContact OD2-CA 3.48Å; T147-G149 PolarHBondContact O-N 3.13Å; T147-V150 PolarHBondContact N-O 2.95Å; T147-V150 WeakPolarHBondContact O-CB 3.28Å; T147-V150 PolarHBondContact O-N 3.46Å
148	D	62.5	Low	76.7	Confident	126 Å²	126	58.2 Å²	58.2	67%	0.674	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	44.9	-176	-64.4	-42.8	0	0	0	112.1	D120 V150	D120-D148 PolarHBondContact OD1-N 3.31Å; D120-D148 PolarHBondContact OD2-N 3.49Å; D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 3.37Å
149	G	66.7	Low	76.6	Confident	20 Å²	20	58.8 Å²	58.8	21%	0.206	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	-0.3	-178.4	0	0	0	0	0	115.7	D120 T147 V176	D120-G149 PolarHBondContact OD1-N 3.06Å; T147-G149 PolarHBondContact O-N 3.13Å; G149-V176 WeakPolarHBondContact O-CA 3.49Å; G149-V176 VanDerWaalsContact O-CG1 3.29Å; G149-V176 WeakPolarHBondContact O-CG1 3.33Å
150	V	66.5	Low	76.4	Confident	62 Å²	62	62.1 Å²	62.1	38%	0.376	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.2	175.9	-177.1	0	0	0	0	109.8	T146 T147 D148 T177	T146-V150 CarbonylContact C-O 3.59Å; T146-V150 VanDerWaalsContact CA-O 3.28Å; T146-V150 WeakPolarHBondContact CA-O 3.49Å; T147-V150 PolarHBondContact N-O 2.95Å; T147-V150 WeakPolarHBondContact O-CB 3.28Å; T147-V150 PolarHBondContact O-N 3.46Å; D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 3.37Å; V150-T177 WeakPolarHBondContact CG1-O 3.35Å
151	V	76.6	Confident	76.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126	174.6	170.5	0	0	0	0	109.3	T123 I127 V144 E145 T146 L153 V176 T177	T123-V151 HydrophobicContact CG2-CG2 3.88Å; I127-V151 HydrophobicContact CD1-CB 4.11Å; I127-V151 HydrophobicContact CD1-CG1 3.85Å; I127-V151 HydrophobicContact CD1-CG2 3.3Å; V144-V151 HydrophobicContact CG1-CG1 3.8Å; E145-V151 WeakPolarHBondContact O-CA 3.43Å; T146-V151 HydrophobicContact CG2-CG2 3.83Å; T146-V151 VanDerWaalsContact OG1-CG2 3.25Å; T146-V151 WeakPolarHBondContact OG1-CG2 3.44Å; V151-L153 HydrophobicContact CG1-CD2 4.04Å; V151-L153 HydrophobicContact CG1-CG 4.19Å; V151-V176 HydrophobicContact CB-CB 4.45Å; V151-V176 HydrophobicContact CB-CG1 3.34Å; V151-V176 HydrophobicContact CG2-CB 4.18Å; V151-V176 HydrophobicContact CG2-CG1 3.45Å; V151-V176 VanDerWaalsContact CG2-CG1 3.45Å; V151-V176 HydrophobicContact CG2-CG2 3.8Å; V151-T177 PolarHBondContact N-O 2.75Å
152	Q	75.1	Confident	76.5	Confident	47 Å²	47	49.7 Å²	49.7	22%	0.22	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.4	167.1	-166.2	174.6	27.9	0	0	109.4	E145	E145-Q152 PolarHBondContact N-O 3.31Å; E145-Q152 VanDerWaalsContact N-O 3.13Å; E145-Q152 PolarHBondContact O-N 3Å
153	L	79.1	Confident	76.4	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.2	165.7	-62.1	179.9	0	0	0	108.6	I127 L131 V142 K143 V144 V151 A166 A170 L178 M180	I127-L153 HydrophobicContact CG2-CD2 4.28Å; L131-L153 HydrophobicContact CD1-CD2 4.32Å; V142-L153 HydrophobicContact CG1-CD2 4.25Å; K143-L153 WeakPolarHBondContact O-CA 3.36Å; V144-L153 HydrophobicContact CB-CD2 4.2Å; V144-L153 HydrophobicContact CG1-CD2 4.02Å; V144-L153 HydrophobicContact CG2-CD2 3.69Å; V151-L153 HydrophobicContact CG1-CD2 4.04Å; V151-L153 HydrophobicContact CG1-CG 4.19Å; L153-A166 HydrophobicContact CD1-CB 4.23Å; L153-A166 WeakPolarHBondContact CD1-O 3.49Å; L153-A170 HydrophobicContact CD1-CB 3.76Å; L153-A170 HydrophobicContact CD2-CB 4.33Å; L153-A170 HydrophobicContact CG-CB 4.26Å; L153-L178 HydrophobicContact CB-CD2 4.43Å; L153-L178 HydrophobicContact CD1-CD2 3.8Å; L153-L178 HydrophobicContact CG-CD2 3.9Å; L153-M180 HydrophobicContact CB-SD 3.84Å; L153-M180 HydrophobicContact CD1-SD 4.29Å
154	S	78	Confident	76.5	Confident	41 Å²	41	50.5 Å²	50.5	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.8	176.4	55.6	0	0	0	0	110.6	V142 K143	V142-S154 CarbonylContact C-O 3.59Å; K143-S154 PolarHBondContact N-O 3.49Å; K143-S154 PolarHBondContact O-N 2.93Å
155	G	77.8	Confident	76.6	Confident	42 Å²	42	55.6 Å²	55.6	43%	0.433	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.9	-175.4	-179.2	0	0	0	0	0	112.8	H141	H141-G155 VanDerWaalsContact O-CA 3.25Å; H141-G155 WeakPolarHBondContact O-CA 3.28Å
156	T	76.7	Confident	77.2	Confident	89 Å²	89	53.1 Å²	53.1	55%	0.546	31%	0.312	S	S	.	.			trans	-115	129.2	-174	-40.1	0	0	0	0	110	H141	H141-T156 VanDerWaalsContact CB-O 3.3Å; H141-T156 WeakPolarHBondContact CB-O 3.49Å; H141-T156 PolarHBondContact O-N 3.18Å
157	V	80.6	Confident	77.6	Confident	38 Å²	38	55 Å²	55	23%	0.23	32%	0.32	C	S	.	.			trans	-127.1	152.2	174.9	-65.5	0	0	0	0	109.5	P138 V142 Q162	P138-V157 HydrophobicContact CG-CG1 4.34Å; V142-V157 HydrophobicContact CG2-CG1 3.91Å; V157-Q162 HydrophobicContact CB-CB 3.75Å; V157-Q162 HydrophobicContact CG1-CB 4.12Å; V157-Q162 HydrophobicContact CG2-CB 4.15Å
158	D	77.7	Confident	78.4	Confident	128 Å²	128	54.9 Å²	54.9	68%	0.684	32%	0.322	S	S	*	.	S	Bend	trans	-80.7	-22.2	-171.3	-60.7	-41.5	0	0	0	112.9
159	S	80.9	Confident	79.5	Confident	49 Å²	49	49.6 Å²	49.6	34%	0.343	29%	0.293	S	S	.	.	S	Bend	trans	-138.9	155.8	-177.3	70.1	0	0	0	0	113.5	A161 Q162 S163	S159-A161 PolarHBondContact O-N 2.94Å; S159-Q162 WeakPolarHBondContact O-CB 3.48Å; S159-Q162 PolarHBondContact O-N 3.44Å; S159-Q162 WeakPolarHBondContact OG-CG 3.21Å; S159-Q162 PolarHBondContact OG-N 2.89Å; S159-S163 PolarHBondContact O-N 2.93Å
160	Q	75.9	Confident	80.4	Confident	97 Å²	97	48.7 Å²	48.7	45%	0.453	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-35.3	172.9	-171.8	60.6	48.7	0	0	111.1	Q162 S163 D164	Q160-Q162 VanDerWaalsContact C-N 3.29Å; Q160-Q162 PolarHBondContact O-N 3.49Å; Q160-S163 WeakPolarHBondContact O-CB 3.47Å; Q160-S163 PolarHBondContact O-N 2.83Å; Q160-D164 PolarHBondContact NE2-OD1 2.94Å; Q160-D164 PolarHBondContact O-N 3.11Å
161	A	80.7	Confident	81	Confident	61 Å²	61	51.6 Å²	51.6	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-58.9	-38	175.8	0	0	0	0	0	112.7	S159 R165	S159-A161 PolarHBondContact O-N 2.94Å; A161-R165 WeakPolarHBondContact O-CB 3.35Å; A161-R165 PolarHBondContact O-N 2.78Å
162	Q	87	Confident	81.2	Confident	30 Å²	30	54.5 Å²	54.5	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-39.6	173.8	-73.9	175.2	-26.3	0	0	112.3	I136 V157 S159 Q160 R165 A166	I136-Q162 HydrophobicContact CG2-CG 4.02Å; I136-Q162 VanDerWaalsContact O-CG 3.3Å; I136-Q162 WeakPolarHBondContact O-CG 3.32Å; I136-Q162 PolarHBondContact O-NE2 3.42Å; I136-Q162 VanDerWaalsContact O-NE2 3.09Å; V157-Q162 HydrophobicContact CB-CB 3.75Å; V157-Q162 HydrophobicContact CG1-CB 4.12Å; V157-Q162 HydrophobicContact CG2-CB 4.15Å; S159-Q162 WeakPolarHBondContact O-CB 3.48Å; S159-Q162 PolarHBondContact O-N 3.44Å; S159-Q162 WeakPolarHBondContact OG-CG 3.21Å; S159-Q162 PolarHBondContact OG-N 2.89Å; Q160-Q162 VanDerWaalsContact C-N 3.29Å; Q160-Q162 PolarHBondContact O-N 3.49Å; Q162-R165 PolarHBondContact O-N 3.28Å; Q162-A166 WeakPolarHBondContact O-CB 3.36Å; Q162-A166 PolarHBondContact O-N 3.46Å
163	S	78	Confident	81.4	Confident	14 Å²	14	52.6 Å²	52.6	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-48.4	174.5	-178.7	0	0	0	0	111	S159 Q160 R165 A166 E167 M180	S159-S163 PolarHBondContact O-N 2.93Å; Q160-S163 WeakPolarHBondContact O-CB 3.47Å; Q160-S163 PolarHBondContact O-N 2.83Å; S163-R165 VanDerWaalsContact C-N 3.29Å; S163-R165 PolarHBondContact O-N 2.69Å; S163-A166 PolarHBondContact O-N 3.14Å; S163-E167 WeakPolarHBondContact O-CB 3.49Å; S163-E167 PolarHBondContact O-N 3.48Å; S163-M180 WeakPolarHBondContact OG-CE 3.29Å
164	D	84.1	Confident	80.4	Confident	79 Å²	79	60.1 Å²	60.1	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-35.9	-178.9	-60.6	-16.2	0	0	0	110.8	Q160 S168	Q160-D164 PolarHBondContact NE2-OD1 2.94Å; Q160-D164 PolarHBondContact O-N 3.11Å; D164-S168 VanDerWaalsContact O-CB 3.32Å; D164-S168 WeakPolarHBondContact O-CB 3.38Å; D164-S168 PolarHBondContact O-N 3Å
165	R	87.9	Confident	78.9	Confident	108 Å²	108	61.7 Å²	61.7	41%	0.408	36%	0.362	S	S	.	.	H	α-helix	trans	-68	-43.4	175.3	-173.5	63.7	174.5	-171	0	112.3	D134 I136 V137 A161 Q162 S163 E167 S168 I169	D134-R165 WeakPolarHBondContact OD1-CG 3.49Å; D134-R165 IonicContact OD1-NE 3.81Å; D134-R165 IonicContact OD2-CZ 3.21Å; D134-R165 IonicContact OD2-NE 2.74Å; D134-R165 PolarHBondContact OD2-NE 2.99Å; D134-R165 IonicContact OD2-NH2 2.8Å; D134-R165 PolarHBondContact OD2-NH2 3.25Å; I136-R165 HydrophobicContact CB-CG 4.2Å; I136-R165 HydrophobicContact CD1-CG 4.44Å; I136-R165 HydrophobicContact CG2-CB 4.34Å; I136-R165 HydrophobicContact CG2-CG 4.32Å; V137-R165 HydrophobicContact CG2-CB 3.69Å; V137-R165 HydrophobicContact CG2-CG 3.59Å; A161-R165 WeakPolarHBondContact O-CB 3.35Å; A161-R165 PolarHBondContact O-N 2.78Å; Q162-R165 PolarHBondContact O-N 3.28Å; S163-R165 VanDerWaalsContact C-N 3.29Å; S163-R165 PolarHBondContact O-N 2.69Å; R165-E167 VanDerWaalsContact C-N 3.33Å; R165-E167 PolarHBondContact O-N 3.49Å; R165-S168 PolarHBondContact O-N 3.42Å; R165-I169 HydrophobicContact CG-CD1 4.07Å; R165-I169 VanDerWaalsContact O-CG1 3.29Å; R165-I169 WeakPolarHBondContact O-CG1 3.32Å; R165-I169 PolarHBondContact O-N 3.44Å
166	A	86.2	Confident	77.3	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-42.9	175.8	0	0	0	0	0	111.3	L131 V137 L153 Q162 S163 I169 A170	L131-A166 HydrophobicContact CD2-CB 3.99Å; V137-A166 HydrophobicContact CG1-CB 3.94Å; V137-A166 HydrophobicContact CG2-CB 4.01Å; L153-A166 HydrophobicContact CD1-CB 4.23Å; L153-A166 WeakPolarHBondContact CD1-O 3.49Å; Q162-A166 WeakPolarHBondContact O-CB 3.36Å; Q162-A166 PolarHBondContact O-N 3.46Å; S163-A166 PolarHBondContact O-N 3.14Å; A166-I169 PolarHBondContact O-N 3.4Å; A166-A170 PolarHBondContact O-N 3.22Å; A166-A170 VanDerWaalsContact O-N 3.08Å
167	E	84.4	Confident	75.6	Confident	50 Å²	50	61.3 Å²	61.3	23%	0.234	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-45	174.1	-174	179	162.4	0	0	111.5	S163 R165 I169 A170 K171 L178	S163-E167 WeakPolarHBondContact O-CB 3.49Å; S163-E167 PolarHBondContact O-N 3.48Å; R165-E167 VanDerWaalsContact C-N 3.33Å; R165-E167 PolarHBondContact O-N 3.49Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 2.92Å; E167-A170 PolarHBondContact O-N 2.98Å; E167-K171 HydrophobicContact CG-CD 4.29Å; E167-K171 WeakPolarHBondContact O-CB 3.49Å; E167-K171 WeakPolarHBondContact O-CG 3.49Å; E167-K171 PolarHBondContact O-N 2.74Å; E167-K171 WeakPolarHBondContact OE1-CE 3.22Å; E167-K171 IonicContact OE1-NZ 2.76Å; E167-K171 PolarHBondContact OE1-NZ 3Å; E167-L178 HydrophobicContact CG-CD1 4.32Å; E167-L178 HydrophobicContact CG-CD2 4.49Å
168	S	84.4	Confident	73.2	Confident	63 Å²	63	61.1 Å²	61.1	44%	0.441	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-39.4	176.3	178.4	0	0	0	0	112.6	D164 R165 A172	D164-S168 VanDerWaalsContact O-CB 3.32Å; D164-S168 WeakPolarHBondContact O-CB 3.38Å; D164-S168 PolarHBondContact O-N 3Å; R165-S168 PolarHBondContact O-N 3.42Å; S168-A172 WeakPolarHBondContact O-CB 3.2Å; S168-A172 PolarHBondContact O-N 2.73Å; S168-A172 VanDerWaalsContact O-N 3.07Å
169	I	85.9	Confident	71	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.077	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-44.3	178.2	-73.7	163.2	0	0	0	110.7	K130 L131 D134 V137 R165 A166 E167 A172	K130-I169 HydrophobicContact CB-CG2 3.41Å; K130-I169 VanDerWaalsContact CB-CG2 3.41Å; K130-I169 HydrophobicContact CD-CG2 4.49Å; L131-I169 HydrophobicContact CD2-CB 4.11Å; L131-I169 HydrophobicContact CD2-CD1 3.85Å; L131-I169 HydrophobicContact CD2-CG2 3.94Å; L131-I169 HydrophobicContact CG-CG2 4.02Å; D134-I169 HydrophobicContact CB-CD1 3.5Å; V137-I169 HydrophobicContact CG2-CD1 4.17Å; R165-I169 HydrophobicContact CG-CD1 4.07Å; R165-I169 VanDerWaalsContact O-CG1 3.29Å; R165-I169 WeakPolarHBondContact O-CG1 3.32Å; R165-I169 PolarHBondContact O-N 3.44Å; A166-I169 PolarHBondContact O-N 3.4Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 2.92Å; I169-A172 PolarHBondContact O-N 3.27Å
170	A	84.2	Confident	68.6	Low	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-70.4	-34.5	178.2	0	0	0	0	0	112.4	I127 L153 A166 E167 A172 V173 L178	I127-A170 HydrophobicContact CD1-CB 4.08Å; I127-A170 HydrophobicContact CG1-CB 4.48Å; I127-A170 HydrophobicContact CG2-CB 3.94Å; L153-A170 HydrophobicContact CD1-CB 3.76Å; L153-A170 HydrophobicContact CD2-CB 4.33Å; L153-A170 HydrophobicContact CG-CB 4.26Å; A166-A170 PolarHBondContact O-N 3.22Å; A166-A170 VanDerWaalsContact O-N 3.08Å; E167-A170 PolarHBondContact O-N 2.98Å; A170-A172 VanDerWaalsContact C-N 3.28Å; A170-A172 PolarHBondContact O-N 2.98Å; A170-V173 PolarHBondContact O-N 3.33Å; A170-L178 HydrophobicContact CB-CD1 3.71Å; A170-L178 HydrophobicContact CB-CG 4.5Å
171	K	79.3	Confident	66.8	Low	123 Å²	123	58.8 Å²	58.8	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-66.5	-26.8	171.8	-77	-178	-177.8	169	0	113.6	E167 V173 L178	E167-K171 HydrophobicContact CG-CD 4.29Å; E167-K171 WeakPolarHBondContact O-CB 3.49Å; E167-K171 WeakPolarHBondContact O-CG 3.49Å; E167-K171 PolarHBondContact O-N 2.74Å; E167-K171 WeakPolarHBondContact OE1-CE 3.22Å; E167-K171 IonicContact OE1-NZ 2.76Å; E167-K171 PolarHBondContact OE1-NZ 3Å; K171-V173 PolarHBondContact O-N 2.63Å; K171-L178 HydrophobicContact CG-CD1 3.68Å
172	A	81.4	Confident	64.7	Low	62 Å²	62	63.3 Å²	63.3	51%	0.512	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	3.3	177	0	0	0	0	0	113.4	K130 S168 I169 A170	K130-A172 PolarHBondContact NZ-O 3.06Å; S168-A172 WeakPolarHBondContact O-CB 3.2Å; S168-A172 PolarHBondContact O-N 2.73Å; S168-A172 VanDerWaalsContact O-N 3.07Å; I169-A172 PolarHBondContact O-N 3.27Å; A170-A172 VanDerWaalsContact C-N 3.28Å; A170-A172 PolarHBondContact O-N 2.98Å
173	V	79.3	Confident	62.8	Low	7 Å²	7	68.9 Å²	68.9	4%	0.042	38%	0.375	C	S	.	.	S	Bend	trans	-104.3	104.3	169.4	-178.9	0	0	0	0	106.9	T123 E126 I127 K130 A170 K171 A175	T123-V173 HydrophobicContact CG2-CG1 4.07Å; E126-V173 HydrophobicContact CB-CG1 4.49Å; E126-V173 HydrophobicContact CG-CG1 4.41Å; E126-V173 HydrophobicContact CG-CG2 3.98Å; I127-V173 HydrophobicContact CD1-CB 4.34Å; I127-V173 HydrophobicContact CD1-CG2 4.5Å; I127-V173 HydrophobicContact CG1-CB 3.93Å; I127-V173 HydrophobicContact CG1-CG1 4.26Å; I127-V173 HydrophobicContact CG1-CG2 3.59Å; K130-V173 HydrophobicContact CD-CG2 3.93Å; A170-V173 PolarHBondContact O-N 3.33Å; K171-V173 PolarHBondContact O-N 2.63Å; V173-A175 PolarHBondContact O-N 3.02Å
174	D	57.3	Low	61.5	Low	163 Å²	163	71.7 Å²	71.7	87%	0.872	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	98.1	-176.4	-82.1	-31.4	0	0	0	111.2
175	A	47.5	Very low	60	Low	73 Å²	73	73.5 Å²	73.5	60%	0.603	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	174.7	5.9	155.7	0	0	0	0	0	114.2	V173	V173-A175 PolarHBondContact O-N 3.02Å
176	V	44.8	Very low	58.5	Low	33 Å²	33	71.6 Å²	71.6	20%	0.2	40%	0.397	C	S	.	.			trans	-126.3	127.7	-150.3	-173	0	0	0	0	117.1	T123 G149 V151	T123-V176 HydrophobicContact CG2-CG2 3.74Å; G149-V176 WeakPolarHBondContact O-CA 3.49Å; G149-V176 VanDerWaalsContact O-CG1 3.29Å; G149-V176 WeakPolarHBondContact O-CG1 3.33Å; V151-V176 HydrophobicContact CB-CB 4.45Å; V151-V176 HydrophobicContact CB-CG1 3.34Å; V151-V176 HydrophobicContact CG2-CB 4.18Å; V151-V176 HydrophobicContact CG2-CG1 3.45Å; V151-V176 VanDerWaalsContact CG2-CG1 3.45Å; V151-V176 HydrophobicContact CG2-CG2 3.8Å
177	T	39.4	Very low	57.3	Low	91 Å²	91	75.3 Å²	75.3	56%	0.558	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.4	158.6	-56.9	0	0	0	0	109.7	V150 V151	V150-T177 WeakPolarHBondContact CG1-O 3.35Å; V151-T177 PolarHBondContact N-O 2.75Å
178	L	31.4	Very low	56.5	Low	34 Å²	34	80.2 Å²	80.2	18%	0.178	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.8	-178.7	-115.9	142.2	0	0	0	111.2	L153 E167 A170 K171 M180	L153-L178 HydrophobicContact CB-CD2 4.43Å; L153-L178 HydrophobicContact CD1-CD2 3.8Å; L153-L178 HydrophobicContact CG-CD2 3.9Å; E167-L178 HydrophobicContact CG-CD1 4.32Å; E167-L178 HydrophobicContact CG-CD2 4.49Å; A170-L178 HydrophobicContact CB-CD1 3.71Å; A170-L178 HydrophobicContact CB-CG 4.5Å; K171-L178 HydrophobicContact CG-CD1 3.68Å; L178-M180 HydrophobicContact CD2-CG 4.36Å; L178-M180 HydrophobicContact CD2-SD 4.27Å
179	T	32	Very low	55.7	Low	78 Å²	78	83.6 Å²	83.6	48%	0.479	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	108	169.2	-49.5	0	0	0	0	109.5
180	M	29.9	Very low	55.2	Low	65 Å²	65	82.9 Å²	82.9	32%	0.32	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.5	175.1	-72.9	-70.4	-69.9	0	0	110.2	L153 S163 L178	L153-M180 HydrophobicContact CB-SD 3.84Å; L153-M180 HydrophobicContact CD1-SD 4.29Å; S163-M180 WeakPolarHBondContact OG-CE 3.29Å; L178-M180 HydrophobicContact CD2-CG 4.36Å; L178-M180 HydrophobicContact CD2-SD 4.27Å
181	V	37.5	Very low	55	Low	82 Å²	82	87.3 Å²	87.3	50%	0.497	45%	0.451	S	S	.	.			trans	-93.2	101.3	168.4	-177.3	0	0	0	0	107.7	E183	V181-E183 PolarHBondContact O-N 2.78Å
182	K	36.8	Very low	55.1	Low	155 Å²	155	84.7 Å²	84.7	67%	0.674	44%	0.443	S	S	*	.			trans	-73.4	108.7	173.5	-79.6	-175.7	175.8	-178.4	0	109.3	T184	K182-T184 PolarHBondContact O-N 2.75Å
183	E	46.5	Very low	55.2	Low	147 Å²	147	84.8 Å²	84.8	69%	0.687	43%	0.432	S	S	*	.			trans	-62.6	128.8	167	-71.7	-167.6	163.5	0	0	110	V181	V181-E183 PolarHBondContact O-N 2.78Å
184	T	51.5	Low	55.4	Low	73 Å²	73	88.4 Å²	88.4	45%	0.448	45%	0.45	S	S	.	.			trans	-61.2	134.9	-164.5	9.6	0	0	0	0	114.3	K182 M186 F187 F227	K182-T184 PolarHBondContact O-N 2.75Å; T184-M186 PolarHBondContact O-N 3.42Å; T184-F187 PolarHBondContact O-N 2.85Å; T184-F227 WeakPolarHBondContact OG1-CZ 3.41Å
185	L	53.5	Low	56.7	Low	118 Å²	118	84 Å²	84	62%	0.618	43%	0.429	S	S	*	.	H	α-helix	trans	-44.5	-22.8	176.2	-139.5	83.5	0	0	0	115.7	R188 W189	L185-R188 PolarHBondContact O-N 2.87Å; L185-W189 PolarHBondContact O-N 2.74Å
186	M	54.8	Low	58.5	Low	68 Å²	68	83.9 Å²	83.9	34%	0.335	42%	0.417	S	S	.	.	H	α-helix	trans	-68.4	-38.6	-173.2	-77.4	177.5	72.9	0	0	114.1	T184 R188 W189 G190 V219 V222 L226	T184-M186 PolarHBondContact O-N 3.42Å; M186-R188 VanDerWaalsContact C-N 3.34Å; M186-W189 PolarHBondContact O-N 3.42Å; M186-G190 PolarHBondContact O-N 2.78Å; M186-G190 VanDerWaalsContact O-N 3.14Å; M186-V219 WeakPolarHBondContact O-CG1 3.47Å; M186-V222 HydrophobicContact CE-CG1 4.13Å; M186-L226 HydrophobicContact CE-CD1 3.86Å; M186-L226 HydrophobicContact SD-CD1 4.5Å
187	F	61.1	Low	60.4	Low	82 Å²	82	82.8 Å²	82.8	36%	0.36	41%	0.412	S	S	.	.	H	α-helix	trans	-71.1	-30.5	178	-81.6	-75.7	0	0	0	112.1	T184 W189 G190 I191 F220	T184-F187 PolarHBondContact O-N 2.85Å; F187-W189 VanDerWaalsContact C-N 3.33Å; F187-W189 PolarHBondContact O-N 2.77Å; F187-G190 PolarHBondContact O-N 3.48Å; F187-I191 WeakPolarHBondContact O-CG1 3.31Å; F187-I191 PolarHBondContact O-N 2.87Å; F187-F220 HydrophobicContact CD1-CD1 4.11Å; F187-F220 AromaticContact CD1-CE1 3.69Å; F187-F220 HydrophobicContact CD1-CE1 3.69Å; F187-F220 HydrophobicContact CD1-CZ 4.48Å; F187-F220 AromaticContact CE1-CD1 3.81Å; F187-F220 HydrophobicContact CE1-CD1 3.81Å; F187-F220 AromaticContact CE1-CE1 3.75Å; F187-F220 HydrophobicContact CE1-CE1 3.75Å
188	R	67.1	Low	62.6	Low	152 Å²	152	83.9 Å²	83.9	57%	0.574	41%	0.413	S	S	*	.	H	α-helix	trans	-57.1	-47	170.4	-90.2	177.2	79.3	171.5	6.6	111.1	L185 M186 I191 I192	L185-R188 PolarHBondContact O-N 2.87Å; M186-R188 VanDerWaalsContact C-N 3.34Å; R188-I191 PolarHBondContact O-N 3.31Å; R188-I192 WeakPolarHBondContact O-CB 3.45Å; R188-I192 WeakPolarHBondContact O-CD1 3.26Å; R188-I192 WeakPolarHBondContact O-CG1 3.31Å; R188-I192 PolarHBondContact O-N 2.82Å
189	W	69.3	Low	65.2	Low	135 Å²	135	86.7 Å²	86.7	51%	0.511	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-41.4	177.4	-73.7	106.5	0	0	0	112.5	L185 M186 F187 I191 I192 F193	L185-W189 PolarHBondContact O-N 2.74Å; M186-W189 PolarHBondContact O-N 3.42Å; F187-W189 VanDerWaalsContact C-N 3.33Å; F187-W189 PolarHBondContact O-N 2.77Å; W189-I191 VanDerWaalsContact C-N 3.33Å; W189-I191 PolarHBondContact O-N 3.38Å; W189-I192 HydrophobicContact CE3-CD1 4.4Å; W189-I192 PolarHBondContact O-N 3.32Å; W189-F193 HydrophobicContact CB-CE2 4.33Å; W189-F193 HydrophobicContact CE3-CE2 4.23Å; W189-F193 HydrophobicContact CE3-CZ 4.45Å; W189-F193 WeakPolarHBondContact O-CD2 3.15Å; W189-F193 PolarHBondContact O-N 3.44Å
190	G	75.5	Confident	67.8	Low	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-58.1	-44.2	175.8	0	0	0	0	0	112.7	M186 F187 L194	M186-G190 PolarHBondContact O-N 2.78Å; M186-G190 VanDerWaalsContact O-N 3.14Å; F187-G190 PolarHBondContact O-N 3.48Å; G190-L194 PolarHBondContact O-N 2.94Å; G190-L194 VanDerWaalsContact O-N 3.1Å
191	I	78.5	Confident	70.4	Confident	93 Å²	93	83 Å²	83	48%	0.477	42%	0.416	S	S	.	.	H	α-helix	trans	-66.9	-44.3	175.7	-65.6	167.8	0	0	0	111	F187 R188 W189 F193 L194 V195 F220	F187-I191 WeakPolarHBondContact O-CG1 3.31Å; F187-I191 PolarHBondContact O-N 2.87Å; R188-I191 PolarHBondContact O-N 3.31Å; W189-I191 VanDerWaalsContact C-N 3.33Å; W189-I191 PolarHBondContact O-N 3.38Å; I191-F193 VanDerWaalsContact C-N 3.34Å; I191-F193 PolarHBondContact O-N 3.42Å; I191-L194 WeakPolarHBondContact O-CB 3.17Å; I191-L194 PolarHBondContact O-N 2.77Å; I191-L194 VanDerWaalsContact O-N 3.13Å; I191-V195 HydrophobicContact CG2-CG2 4.23Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 2.92Å; I191-F220 HydrophobicContact CG1-CZ 4.4Å
192	I	81.5	Confident	72.7	Confident	68 Å²	68	83.4 Å²	83.4	35%	0.349	43%	0.427	S	S	.	.	H	α-helix	trans	-57.5	-47.2	177.7	-71.5	162.7	0	0	0	110.6	R188 W189 L194 V195 I196	R188-I192 WeakPolarHBondContact O-CB 3.45Å; R188-I192 WeakPolarHBondContact O-CD1 3.26Å; R188-I192 WeakPolarHBondContact O-CG1 3.31Å; R188-I192 PolarHBondContact O-N 2.82Å; W189-I192 HydrophobicContact CE3-CD1 4.4Å; W189-I192 PolarHBondContact O-N 3.32Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 2.83Å; I192-V195 PolarHBondContact O-N 3.19Å; I192-I196 HydrophobicContact CG2-CD1 3.76Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.15Å; I192-I196 PolarHBondContact O-N 2.95Å
193	F	83.6	Confident	75.3	Confident	64 Å²	64	81.6 Å²	81.6	28%	0.281	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-37.2	177.2	-74.8	-61.2	0	0	0	112.5	W189 I191 I196 A197 A215 A216 V219	W189-F193 HydrophobicContact CB-CE2 4.33Å; W189-F193 HydrophobicContact CE3-CE2 4.23Å; W189-F193 HydrophobicContact CE3-CZ 4.45Å; W189-F193 WeakPolarHBondContact O-CD2 3.15Å; W189-F193 PolarHBondContact O-N 3.44Å; I191-F193 VanDerWaalsContact C-N 3.34Å; I191-F193 PolarHBondContact O-N 3.42Å; F193-I196 PolarHBondContact O-N 3.37Å; F193-A197 WeakPolarHBondContact O-CB 3.46Å; F193-A197 PolarHBondContact O-N 2.95Å; F193-A215 HydrophobicContact CD1-CB 4.01Å; F193-A215 HydrophobicContact CD2-CB 4.4Å; F193-A215 HydrophobicContact CE1-CB 4.29Å; F193-A215 HydrophobicContact CG-CB 4.09Å; F193-A216 HydrophobicContact CB-CB 3.75Å; F193-V219 HydrophobicContact CD2-CG2 4.21Å; F193-V219 HydrophobicContact CE2-CG2 4.3Å
194	L	84.3	Confident	77	Confident	82 Å²	82	77.6 Å²	77.6	43%	0.429	42%	0.423	S	S	.	.	H	α-helix	trans	-64.7	-43.5	175.1	-175.5	69.4	0	0	0	111.7	G190 I191 I192 A197 L198 A216	G190-L194 PolarHBondContact O-N 2.94Å; G190-L194 VanDerWaalsContact O-N 3.1Å; I191-L194 WeakPolarHBondContact O-CB 3.17Å; I191-L194 PolarHBondContact O-N 2.77Å; I191-L194 VanDerWaalsContact O-N 3.13Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 2.83Å; L194-A197 WeakPolarHBondContact O-CB 3.45Å; L194-A197 PolarHBondContact O-N 3.23Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.94Å; L194-A216 HydrophobicContact CB-CB 4.35Å
195	V	85	Confident	78.6	Confident	70 Å²	70	80.3 Å²	80.3	42%	0.424	43%	0.428	S	S	.	.	H	α-helix	trans	-63.8	-44	177.3	171.9	0	0	0	0	110.7	I191 I192 A197 L198 I199	I191-V195 HydrophobicContact CG2-CG2 4.23Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 2.92Å; I192-V195 PolarHBondContact O-N 3.19Å; V195-A197 VanDerWaalsContact C-N 3.29Å; V195-A197 PolarHBondContact O-N 3.4Å; V195-L198 PolarHBondContact O-N 2.96Å; V195-I199 HydrophobicContact CG1-CD1 3.78Å; V195-I199 HydrophobicContact CG1-CG1 4.44Å; V195-I199 WeakPolarHBondContact O-CG1 3.42Å; V195-I199 PolarHBondContact O-N 3.28Å
196	I	84.3	Confident	79.8	Confident	71 Å²	71	77.2 Å²	77.2	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-59.5	-42.2	174.3	-67.7	166.6	0	0	0	110.6	I192 F193 L198 I199 A200 A212	I192-I196 HydrophobicContact CG2-CD1 3.76Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.15Å; I192-I196 PolarHBondContact O-N 2.95Å; F193-I196 PolarHBondContact O-N 3.37Å; I196-L198 PolarHBondContact O-N 3.36Å; I196-I199 PolarHBondContact O-N 2.97Å; I196-A200 VanDerWaalsContact O-CB 3.26Å; I196-A200 WeakPolarHBondContact O-CB 3.45Å; I196-A200 PolarHBondContact O-N 3.13Å; I196-A212 HydrophobicContact CB-CB 4.36Å; I196-A212 HydrophobicContact CG2-CB 3.94Å
197	A	84	Confident	81.1	Confident	10 Å²	10	76.9 Å²	76.9	8%	0.083	44%	0.439	C	S	.	.	H	α-helix	trans	-61.7	-43	178.3	0	0	0	0	0	112.2	F193 L194 V195 A201 A212 A213	F193-A197 WeakPolarHBondContact O-CB 3.46Å; F193-A197 PolarHBondContact O-N 2.95Å; L194-A197 WeakPolarHBondContact O-CB 3.45Å; L194-A197 PolarHBondContact O-N 3.23Å; V195-A197 VanDerWaalsContact C-N 3.29Å; V195-A197 PolarHBondContact O-N 3.4Å; A197-A201 WeakPolarHBondContact O-CB 3.38Å; A197-A201 PolarHBondContact O-N 3.27Å; A197-A212 HydrophobicContact CB-CB 3.79Å; A197-A213 HydrophobicContact CB-CB 4.06Å
198	L	85.6	Confident	82	Confident	114 Å²	114	77.9 Å²	77.9	60%	0.597	45%	0.448	S	S	*	.	H	α-helix	trans	-66	-44.3	177.6	-71.2	171.1	0	0	0	112.1	L194 V195 I196 A201 A202	L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.94Å; V195-L198 PolarHBondContact O-N 2.96Å; I196-L198 PolarHBondContact O-N 3.36Å; L198-A201 PolarHBondContact O-N 3.09Å; L198-A202 WeakPolarHBondContact O-CB 2.96Å; L198-A202 PolarHBondContact O-N 3.47Å
199	I	86.6	Confident	82.6	Confident	94 Å²	94	71.2 Å²	71.2	48%	0.482	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-46.2	177.3	-66.5	168.8	0	0	0	110.4	V195 I196 A201 A202 L203	V195-I199 HydrophobicContact CG1-CD1 3.78Å; V195-I199 HydrophobicContact CG1-CG1 4.44Å; V195-I199 WeakPolarHBondContact O-CG1 3.42Å; V195-I199 PolarHBondContact O-N 3.28Å; I196-I199 PolarHBondContact O-N 2.97Å; I199-A201 VanDerWaalsContact C-N 3.31Å; I199-A201 PolarHBondContact O-N 3.49Å; I199-A202 PolarHBondContact O-N 3.35Å; I199-L203 HydrophobicContact CG2-CD1 3.78Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CB 3.35Å; I199-L203 WeakPolarHBondContact O-CG 3.38Å; I199-L203 PolarHBondContact O-N 3.25Å
200	A	86.3	Confident	83.2	Confident	6 Å²	6	67 Å²	67	5%	0.05	42%	0.424	C	S	.	.	H	α-helix	trans	-61.9	-39.2	178.1	0	0	0	0	0	112.1	I196 L203 G204 F205 L208 A209	I196-A200 VanDerWaalsContact O-CB 3.26Å; I196-A200 WeakPolarHBondContact O-CB 3.45Å; I196-A200 PolarHBondContact O-N 3.13Å; A200-L203 PolarHBondContact O-N 3.44Å; A200-G204 PolarHBondContact O-N 2.85Å; A200-F205 HydrophobicContact CB-CB 4.3Å; A200-F205 WeakPolarHBondContact O-CA 3.29Å; A200-F205 PolarHBondContact O-N 2.86Å; A200-L208 HydrophobicContact CB-CB 4.17Å; A200-L208 HydrophobicContact CB-CD2 4.24Å; A200-A209 HydrophobicContact CB-CB 3.98Å
201	A	85.4	Confident	83.6	Confident	59 Å²	59	71.7 Å²	71.7	49%	0.488	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-45.4	175.5	0	0	0	0	0	111.7	A197 L198 I199 L203 G204 A209	A197-A201 WeakPolarHBondContact O-CB 3.38Å; A197-A201 PolarHBondContact O-N 3.27Å; L198-A201 PolarHBondContact O-N 3.09Å; I199-A201 VanDerWaalsContact C-N 3.31Å; I199-A201 PolarHBondContact O-N 3.49Å; A201-L203 VanDerWaalsContact C-N 3.28Å; A201-L203 PolarHBondContact O-N 3.11Å; A201-G204 PolarHBondContact O-N 2.89Å; A201-G204 VanDerWaalsContact O-N 3.17Å; A201-A209 HydrophobicContact CB-CB 3.93Å
202	A	85.9	Confident	83.7	Confident	90 Å²	90	67.6 Å²	67.6	74%	0.744	43%	0.432	S	S	*	.	H	α-helix	trans	-63.6	-33	178.7	0	0	0	0	0	113	L198 I199 G204	L198-A202 WeakPolarHBondContact O-CB 2.96Å; L198-A202 PolarHBondContact O-N 3.47Å; I199-A202 PolarHBondContact O-N 3.35Å; A202-G204 VanDerWaalsContact C-N 3.33Å
203	L	91.8	Very high	83.6	Confident	117 Å²	117	66.5 Å²	66.5	61%	0.613	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.6	177.8	-65.6	175.9	0	0	0	114	I199 A200 A201 F205	I199-L203 HydrophobicContact CG2-CD1 3.78Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CB 3.35Å; I199-L203 WeakPolarHBondContact O-CG 3.38Å; I199-L203 PolarHBondContact O-N 3.25Å; A200-L203 PolarHBondContact O-N 3.44Å; A201-L203 VanDerWaalsContact C-N 3.28Å; A201-L203 PolarHBondContact O-N 3.11Å; L203-F205 HydrophobicContact CB-CD2 3.68Å; L203-F205 HydrophobicContact CB-CE2 3.87Å
204	G	82.3	Confident	83.4	Confident	63 Å²	63	64.9 Å²	64.9	65%	0.649	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	9.1	177.7	0	0	0	0	0	115.5	A200 A201 A202 G206	A200-G204 PolarHBondContact O-N 2.85Å; A201-G204 PolarHBondContact O-N 2.89Å; A201-G204 VanDerWaalsContact O-N 3.17Å; A202-G204 VanDerWaalsContact C-N 3.33Å; G204-G206 VanDerWaalsContact C-N 3.33Å; G204-G206 PolarHBondContact O-N 2.81Å; G204-G206 VanDerWaalsContact O-N 3.11Å
205	F	83.7	Confident	83.2	Confident	130 Å²	130	62.4 Å²	62.4	57%	0.57	43%	0.427	S	S	*	.			trans	-86.6	66.3	176.4	-63.5	-74.7	0	0	0	111.7	A200 L203 G207 L208 A209	A200-F205 HydrophobicContact CB-CB 4.3Å; A200-F205 WeakPolarHBondContact O-CA 3.29Å; A200-F205 PolarHBondContact O-N 2.86Å; L203-F205 HydrophobicContact CB-CD2 3.68Å; L203-F205 HydrophobicContact CB-CE2 3.87Å; F205-G207 VanDerWaalsContact C-N 3.28Å; F205-G207 PolarHBondContact O-N 3.17Å; F205-G207 VanDerWaalsContact O-N 3.17Å; F205-L208 HydrophobicContact CB-CB 4.11Å; F205-L208 PolarHBondContact O-N 2.66Å; F205-A209 PolarHBondContact O-N 2.7Å
206	G	78.5	Confident	82.9	Confident	53 Å²	53	59.3 Å²	59.3	55%	0.546	41%	0.408	S	S	.	.	H	α-helix	trans	-54.6	-36.3	-174.3	0	0	0	0	0	115.2	G204 G210	G204-G206 VanDerWaalsContact C-N 3.33Å; G204-G206 PolarHBondContact O-N 2.81Å; G204-G206 VanDerWaalsContact O-N 3.11Å; G206-G210 PolarHBondContact O-N 2.94Å
207	G	83.3	Confident	82.5	Confident	61 Å²	61	63 Å²	63	63%	0.629	42%	0.422	S	S	*	.	H	α-helix	trans	-65.8	-42.2	176.5	0	0	0	0	0	113.3	F205 G210 T211	F205-G207 VanDerWaalsContact C-N 3.28Å; F205-G207 PolarHBondContact O-N 3.17Å; F205-G207 VanDerWaalsContact O-N 3.17Å; G207-G210 PolarHBondContact O-N 2.72Å; G207-T211 PolarHBondContact O-N 3.31Å; G207-T211 VanDerWaalsContact O-N 3.16Å; G207-T211 PolarHBondContact O-OG1 2.81Å
208	L	78.7	Confident	82.2	Confident	103 Å²	103	67.9 Å²	67.9	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-73.7	-34.2	179.7	-141.9	117	0	0	0	111.4	A200 F205 T211 A212	A200-L208 HydrophobicContact CB-CB 4.17Å; A200-L208 HydrophobicContact CB-CD2 4.24Å; F205-L208 HydrophobicContact CB-CB 4.11Å; F205-L208 PolarHBondContact O-N 2.66Å; L208-T211 PolarHBondContact O-OG1 3.01Å; L208-A212 VanDerWaalsContact O-CB 3.3Å; L208-A212 WeakPolarHBondContact O-CB 3.42Å; L208-A212 PolarHBondContact O-N 3.02Å
209	A	81.1	Confident	81.6	Confident	12 Å²	12	64.1 Å²	64.1	10%	0.099	43%	0.427	C	S	.	.	H	α-helix	trans	-61.5	-45.1	171.9	0	0	0	0	0	111.4	A200 A201 F205 A213	A200-A209 HydrophobicContact CB-CB 3.98Å; A201-A209 HydrophobicContact CB-CB 3.93Å; F205-A209 PolarHBondContact O-N 2.7Å; A209-A213 VanDerWaalsContact O-CB 3.24Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.08Å
210	G	81	Confident	80.7	Confident	47 Å²	47	62.7 Å²	62.7	49%	0.485	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-44.9	177.9	0	0	0	0	0	113.3	G206 G207 G214	G206-G210 PolarHBondContact O-N 2.94Å; G207-G210 PolarHBondContact O-N 2.72Å; G210-G214 PolarHBondContact O-N 3.14Å
211	T	84.3	Confident	79.8	Confident	98 Å²	98	65.6 Å²	65.6	60%	0.601	43%	0.434	S	S	*	.	H	α-helix	trans	-67.5	-43.3	179.1	54.1	0	0	0	0	112.2	G207 L208 G214 A215	G207-T211 PolarHBondContact O-N 3.31Å; G207-T211 VanDerWaalsContact O-N 3.16Å; G207-T211 PolarHBondContact O-OG1 2.81Å; L208-T211 PolarHBondContact O-OG1 3.01Å; T211-G214 PolarHBondContact O-N 2.86Å; T211-A215 PolarHBondContact O-N 3.32Å
212	A	80.6	Confident	78.7	Confident	7 Å²	7	65.9 Å²	65.9	6%	0.058	43%	0.429	C	S	.	.	H	α-helix	trans	-64.9	-41.2	176.8	0	0	0	0	0	112	I196 A197 L208 G214 A215 A216	I196-A212 HydrophobicContact CB-CB 4.36Å; I196-A212 HydrophobicContact CG2-CB 3.94Å; A197-A212 HydrophobicContact CB-CB 3.79Å; L208-A212 VanDerWaalsContact O-CB 3.3Å; L208-A212 WeakPolarHBondContact O-CB 3.42Å; L208-A212 PolarHBondContact O-N 3.02Å; A212-G214 PolarHBondContact O-N 3.32Å; A212-A215 PolarHBondContact O-N 3.27Å; A212-A216 WeakPolarHBondContact O-CB 3.33Å; A212-A216 PolarHBondContact O-N 2.97Å
213	A	79.1	Confident	77.4	Confident	45 Å²	45	61.7 Å²	61.7	37%	0.372	40%	0.396	S	S	.	.	H	α-helix	trans	-63.7	-40.1	174.2	0	0	0	0	0	112	A197 A209 A216 K217	A197-A213 HydrophobicContact CB-CB 4.06Å; A209-A213 VanDerWaalsContact O-CB 3.24Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.08Å; A213-A216 PolarHBondContact O-N 3.41Å; A213-K217 WeakPolarHBondContact O-CB 3.38Å; A213-K217 PolarHBondContact O-N 3.2Å
214	G	79.1	Confident	75.8	Confident	31 Å²	31	60.3 Å²	60.3	32%	0.32	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-46.1	173.1	0	0	0	0	0	112.5	G210 T211 A212 K217 I218	G210-G214 PolarHBondContact O-N 3.14Å; T211-G214 PolarHBondContact O-N 2.86Å; A212-G214 PolarHBondContact O-N 3.32Å; G214-K217 PolarHBondContact O-N 3.47Å; G214-I218 WeakPolarHBondContact O-CG1 3.41Å; G214-I218 PolarHBondContact O-N 3.29Å
215	A	80.6	Confident	74.4	Confident	30 Å²	30	62.6 Å²	62.6	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-62.9	-45	176.1	0	0	0	0	0	112.1	F193 T211 A212 K217 I218 V219	F193-A215 HydrophobicContact CD1-CB 4.01Å; F193-A215 HydrophobicContact CD2-CB 4.4Å; F193-A215 HydrophobicContact CE1-CB 4.29Å; F193-A215 HydrophobicContact CG-CB 4.09Å; T211-A215 PolarHBondContact O-N 3.32Å; A212-A215 PolarHBondContact O-N 3.27Å; A215-K217 VanDerWaalsContact C-N 3.33Å; A215-K217 PolarHBondContact O-N 3.46Å; A215-I218 PolarHBondContact O-N 3.45Å; A215-V219 WeakPolarHBondContact O-CG2 3.4Å; A215-V219 PolarHBondContact O-N 2.91Å
216	A	77.8	Confident	72.8	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.033	38%	0.378	C	S	.	.	H	α-helix	trans	-57.2	-47.3	174.7	0	0	0	0	0	111	F193 L194 A212 A213 I218 V219 F220	F193-A216 HydrophobicContact CB-CB 3.75Å; L194-A216 HydrophobicContact CB-CB 4.35Å; A212-A216 WeakPolarHBondContact O-CB 3.33Å; A212-A216 PolarHBondContact O-N 2.97Å; A213-A216 PolarHBondContact O-N 3.41Å; A216-I218 VanDerWaalsContact C-N 3.33Å; A216-I218 PolarHBondContact O-N 2.97Å; A216-V219 PolarHBondContact O-N 2.83Å; A216-F220 WeakPolarHBondContact O-CB 3.33Å; A216-F220 VanDerWaalsContact O-CD2 3.31Å; A216-F220 WeakPolarHBondContact O-CD2 3.5Å; A216-F220 PolarHBondContact O-N 3.26Å
217	K	76.9	Confident	71.7	Confident	150 Å²	150	62.7 Å²	62.7	65%	0.652	37%	0.373	S	S	*	.	H	α-helix	trans	-58.6	-44	176.8	-172.9	178.5	-179	179.6	0	111.6	A213 G214 A215 F220 V221	A213-K217 WeakPolarHBondContact O-CB 3.38Å; A213-K217 PolarHBondContact O-N 3.2Å; G214-K217 PolarHBondContact O-N 3.47Å; A215-K217 VanDerWaalsContact C-N 3.33Å; A215-K217 PolarHBondContact O-N 3.46Å; K217-F220 PolarHBondContact O-N 3.34Å; K217-V221 HydrophobicContact CG-CG2 4.24Å; K217-V221 VanDerWaalsContact O-CB 3.26Å; K217-V221 WeakPolarHBondContact O-CB 3.44Å; K217-V221 WeakPolarHBondContact O-CG2 3.47Å; K217-V221 PolarHBondContact O-N 2.84Å
218	I	76.7	Confident	70.7	Confident	112 Å²	112	64.5 Å²	64.5	57%	0.574	37%	0.367	S	S	*	.	H	α-helix	trans	-63.1	-47.6	176.8	-67.5	165.6	0	0	0	110.6	G214 A215 A216 F220 V221 V222	G214-I218 WeakPolarHBondContact O-CG1 3.41Å; G214-I218 PolarHBondContact O-N 3.29Å; A215-I218 PolarHBondContact O-N 3.45Å; A216-I218 VanDerWaalsContact C-N 3.33Å; A216-I218 PolarHBondContact O-N 2.97Å; I218-F220 PolarHBondContact O-N 3.32Å; I218-V221 PolarHBondContact O-N 3.46Å; I218-V222 HydrophobicContact CG2-CG2 3.99Å; I218-V222 VanDerWaalsContact O-CB 3.22Å; I218-V222 WeakPolarHBondContact O-CB 3.42Å; I218-V222 WeakPolarHBondContact O-CG2 3.36Å; I218-V222 PolarHBondContact O-N 3.25Å
219	V	73.2	Confident	69.9	Low	35 Å²	35	61.1 Å²	61.1	21%	0.212	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-42.3	179.8	174.4	0	0	0	0	111.4	M186 F193 A215 A216 G223	M186-V219 WeakPolarHBondContact O-CG1 3.47Å; F193-V219 HydrophobicContact CD2-CG2 4.21Å; F193-V219 HydrophobicContact CE2-CG2 4.3Å; A215-V219 WeakPolarHBondContact O-CG2 3.4Å; A215-V219 PolarHBondContact O-N 2.91Å; A216-V219 PolarHBondContact O-N 2.83Å; V219-G223 WeakPolarHBondContact O-CA 3.34Å; V219-G223 PolarHBondContact O-N 2.88Å
220	F	68.7	Low	69.8	Low	64 Å²	64	62.3 Å²	62.3	28%	0.281	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-45.9	175.1	-89.2	-74.4	0	0	0	111.9	F187 I191 A216 K217 I218 G223 I224	F187-F220 HydrophobicContact CD1-CD1 4.11Å; F187-F220 AromaticContact CD1-CE1 3.69Å; F187-F220 HydrophobicContact CD1-CE1 3.69Å; F187-F220 HydrophobicContact CD1-CZ 4.48Å; F187-F220 AromaticContact CE1-CD1 3.81Å; F187-F220 HydrophobicContact CE1-CD1 3.81Å; F187-F220 AromaticContact CE1-CE1 3.75Å; F187-F220 HydrophobicContact CE1-CE1 3.75Å; I191-F220 HydrophobicContact CG1-CZ 4.4Å; A216-F220 WeakPolarHBondContact O-CB 3.33Å; A216-F220 VanDerWaalsContact O-CD2 3.31Å; A216-F220 WeakPolarHBondContact O-CD2 3.5Å; A216-F220 PolarHBondContact O-N 3.26Å; K217-F220 PolarHBondContact O-N 3.34Å; I218-F220 PolarHBondContact O-N 3.32Å; F220-G223 PolarHBondContact O-N 3.33Å; F220-I224 VanDerWaalsContact O-CB 3.31Å; F220-I224 WeakPolarHBondContact O-CB 3.34Å; F220-I224 WeakPolarHBondContact O-CD1 3.45Å; F220-I224 WeakPolarHBondContact O-CG1 3.35Å; F220-I224 PolarHBondContact O-N 3.41Å
221	V	67.1	Low	70.3	Confident	67 Å²	67	64.2 Å²	64.2	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-65.6	-45.6	179.2	169.5	0	0	0	0	111	K217 I218 I224 I225	K217-V221 HydrophobicContact CG-CG2 4.24Å; K217-V221 VanDerWaalsContact O-CB 3.26Å; K217-V221 WeakPolarHBondContact O-CB 3.44Å; K217-V221 WeakPolarHBondContact O-CG2 3.47Å; K217-V221 PolarHBondContact O-N 2.84Å; I218-V221 PolarHBondContact O-N 3.46Å; V221-I224 PolarHBondContact O-N 3.33Å; V221-I225 HydrophobicContact CG1-CD1 3.55Å; V221-I225 HydrophobicContact CG1-CG1 4.31Å; V221-I225 VanDerWaalsContact O-CB 3.31Å; V221-I225 WeakPolarHBondContact O-CB 3.47Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 3.47Å
222	V	63.2	Low	70.8	Confident	64 Å²	64	59.8 Å²	59.8	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-42.7	175.6	171.1	0	0	0	0	110.4	M186 I218 I225 L226	M186-V222 HydrophobicContact CE-CG1 4.13Å; I218-V222 HydrophobicContact CG2-CG2 3.99Å; I218-V222 VanDerWaalsContact O-CB 3.22Å; I218-V222 WeakPolarHBondContact O-CB 3.42Å; I218-V222 WeakPolarHBondContact O-CG2 3.36Å; I218-V222 PolarHBondContact O-N 3.25Å; V222-I225 PolarHBondContact O-N 3.13Å; V222-L226 HydrophobicContact CG1-CD1 3.57Å; V222-L226 HydrophobicContact CG1-CG 4.25Å; V222-L226 WeakPolarHBondContact O-CB 3.18Å; V222-L226 WeakPolarHBondContact O-CD1 3.35Å; V222-L226 WeakPolarHBondContact O-CG 3.5Å; V222-L226 PolarHBondContact O-N 2.93Å
223	G	57.3	Low	71.6	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-58.8	-52	174.2	0	0	0	0	0	111.9	V219 F220 L226 F227	V219-G223 WeakPolarHBondContact O-CA 3.34Å; V219-G223 PolarHBondContact O-N 2.88Å; F220-G223 PolarHBondContact O-N 3.33Å; G223-L226 PolarHBondContact O-N 3.05Å; G223-F227 VanDerWaalsContact O-CB 3.29Å; G223-F227 WeakPolarHBondContact O-CB 3.35Å; G223-F227 WeakPolarHBondContact O-CD2 3.4Å; G223-F227 PolarHBondContact O-N 3.03Å
224	I	57.8	Low	72.5	Confident	87 Å²	87	57.3 Å²	57.3	45%	0.446	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-48.6	177.4	-69.8	164.8	0	0	0	110.6	F220 V221 L226 F227 L228	F220-I224 VanDerWaalsContact O-CB 3.31Å; F220-I224 WeakPolarHBondContact O-CB 3.34Å; F220-I224 WeakPolarHBondContact O-CD1 3.45Å; F220-I224 WeakPolarHBondContact O-CG1 3.35Å; F220-I224 PolarHBondContact O-N 3.41Å; V221-I224 PolarHBondContact O-N 3.33Å; I224-L226 VanDerWaalsContact C-N 3.31Å; I224-L226 PolarHBondContact O-N 2.93Å; I224-F227 CarbonylContact O-C 3.53Å; I224-F227 PolarHBondContact O-N 2.82Å; I224-F227 VanDerWaalsContact O-N 3.08Å; I224-L228 HydrophobicContact CG2-CD1 4.3Å; I224-L228 HydrophobicContact CG2-CG 4.22Å; I224-L228 WeakPolarHBondContact O-CG 3.17Å; I224-L228 PolarHBondContact O-N 3.09Å
225	I	53.6	Low	73.5	Confident	111 Å²	111	55.8 Å²	55.8	57%	0.569	29%	0.294	S	S	*	.	H	α-helix	trans	-61.7	-39.9	179.5	-69.9	169.5	0	0	0	111.4	V221 V222 F227	V221-I225 HydrophobicContact CG1-CD1 3.55Å; V221-I225 HydrophobicContact CG1-CG1 4.31Å; V221-I225 VanDerWaalsContact O-CB 3.31Å; V221-I225 WeakPolarHBondContact O-CB 3.47Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 3.47Å; V222-I225 PolarHBondContact O-N 3.13Å; I225-F227 VanDerWaalsContact C-N 3.32Å
226	L	50.8	Low	74.3	Confident	86 Å²	86	54.4 Å²	54.4	45%	0.45	28%	0.283	S	S	.	.	H	α-helix	trans	-71.4	-27	176.3	-71.7	170.5	0	0	0	112.6	M186 V222 G223 I224	M186-L226 HydrophobicContact CE-CD1 3.86Å; M186-L226 HydrophobicContact SD-CD1 4.5Å; V222-L226 HydrophobicContact CG1-CD1 3.57Å; V222-L226 HydrophobicContact CG1-CG 4.25Å; V222-L226 WeakPolarHBondContact O-CB 3.18Å; V222-L226 WeakPolarHBondContact O-CD1 3.35Å; V222-L226 WeakPolarHBondContact O-CG 3.5Å; V222-L226 PolarHBondContact O-N 2.93Å; G223-L226 PolarHBondContact O-N 3.05Å; I224-L226 VanDerWaalsContact C-N 3.31Å; I224-L226 PolarHBondContact O-N 2.93Å
227	F	55.8	Low	75.3	Confident	100 Å²	100	54.3 Å²	54.3	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-96.2	-15.6	-178.5	-91.2	-91.8	0	0	0	115	T184 G223 I224 I225	T184-F227 WeakPolarHBondContact OG1-CZ 3.41Å; G223-F227 VanDerWaalsContact O-CB 3.29Å; G223-F227 WeakPolarHBondContact O-CB 3.35Å; G223-F227 WeakPolarHBondContact O-CD2 3.4Å; G223-F227 PolarHBondContact O-N 3.03Å; I224-F227 CarbonylContact O-C 3.53Å; I224-F227 PolarHBondContact O-N 2.82Å; I224-F227 VanDerWaalsContact O-N 3.08Å; I225-F227 VanDerWaalsContact C-N 3.32Å
228	L	60.6	Low	76.1	Confident	98 Å²	98	47.7 Å²	47.7	51%	0.513	26%	0.256	S	S	.	.			trans	-53.2	129.7	174.6	-83.2	165.7	0	0	0	108.7	I224 G230 R468	I224-L228 HydrophobicContact CG2-CD1 4.3Å; I224-L228 HydrophobicContact CG2-CG 4.22Å; I224-L228 WeakPolarHBondContact O-CG 3.17Å; I224-L228 PolarHBondContact O-N 3.09Å; L228-G230 PolarHBondContact O-N 3.06Å; L228-R468 PolarHBondContact O-NH2 3.09Å
229	P	62.4	Low	76.8	Confident	32 Å²	32	42.7 Å²	42.7	21%	0.208	23%	0.232	C	C	.	.			trans	-60	-18.1	-177.3	23.1	-32.1	0	0	0	111.9	I232 T409 R468	P229-I232 HydrophobicContact CB-CD1 3.56Å; P229-I232 HydrophobicContact CB-CG1 3.85Å; P229-I232 HydrophobicContact CG-CD1 3.8Å; P229-I232 HydrophobicContact CG-CG1 4.31Å; P229-T409 WeakPolarHBondContact O-CB 3.37Å; P229-T409 PolarHBondContact O-OG1 3.4Å; P229-R468 VanDerWaalsContact C-NH2 3.27Å; P229-R468 PolarHBondContact O-NH2 3.22Å; P229-R468 VanDerWaalsContact O-NH2 3.08Å
230	G	79	Confident	77.7	Confident	37 Å²	37	42 Å²	42	38%	0.381	23%	0.232	S	C	.	.			trans	64.6	-164.8	-167.7	0	0	0	0	0	109.7	L228 I232	L228-G230 PolarHBondContact O-N 3.06Å; G230-I232 VanDerWaalsContact O-CG1 3.32Å; G230-I232 WeakPolarHBondContact O-CG1 3.45Å; G230-I232 PolarHBondContact O-N 3.29Å
231	R	90.8	Very high	79	Confident	88 Å²	88	39.1 Å²	39.1	33%	0.332	22%	0.219	S	C	.	.	S	Bend	trans	-61.8	124.3	174.9	-164.7	176.6	-166.5	-176.4	6.7	109.5	D262 L263 Q405 A407 K408 T409	R231-D262 VanDerWaalsContact CA-OD2 3.32Å; R231-D262 WeakPolarHBondContact CA-OD2 3.22Å; R231-D262 HydrophobicContact CG-CB 3.65Å; R231-L263 HydrophobicContact CG-CD1 4.16Å; R231-L263 HydrophobicContact CG-CG 4.36Å; R231-Q405 PolarHBondContact NH1-O 2.85Å; R231-A407 CarbonylContact O-C 3.43Å; R231-A407 WeakPolarHBondContact O-CA 3.24Å; R231-K408 PolarHBondContact O-N 3.13Å; R231-T409 PolarHBondContact O-N 3.3Å
232	I	95	Very high	80.4	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.6	-175.5	-43.4	-177.6	0	0	0	110	P229 G230 P260 F261 D262 L263 T409 L512	P229-I232 HydrophobicContact CB-CD1 3.56Å; P229-I232 HydrophobicContact CB-CG1 3.85Å; P229-I232 HydrophobicContact CG-CD1 3.8Å; P229-I232 HydrophobicContact CG-CG1 4.31Å; G230-I232 VanDerWaalsContact O-CG1 3.32Å; G230-I232 WeakPolarHBondContact O-CG1 3.45Å; G230-I232 PolarHBondContact O-N 3.29Å; I232-P260 HydrophobicContact CD1-CB 4.16Å; I232-F261 HydrophobicContact CB-CD1 4.31Å; I232-F261 HydrophobicContact CG2-CD1 3.64Å; I232-F261 HydrophobicContact CG2-CE1 3.98Å; I232-D262 PolarHBondContact N-OD2 3.33Å; I232-D262 PolarHBondContact O-N 3.32Å; I232-L263 PolarHBondContact O-N 3.33Å; I232-L263 VanDerWaalsContact O-N 3.13Å; I232-T409 WeakPolarHBondContact CA-O 3.42Å; I232-T409 HydrophobicContact CG2-CG2 4.33Å; I232-L512 HydrophobicContact CD1-CB 4.39Å; I232-L512 HydrophobicContact CD1-CD2 4.4Å
233	A	98	Very high	82	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.5	174.5	0	0	0	0	0	111.8	V235 L263 L265 A402 A407 T409 L410 V411	A233-V235 HydrophobicContact CB-CG2 4.47Å; A233-L263 CarbonylContact C-O 3.57Å; A233-L263 VanDerWaalsContact CA-O 3.25Å; A233-L263 WeakPolarHBondContact CA-O 3.41Å; A233-L263 HydrophobicContact CB-CB 3.83Å; A233-L265 HydrophobicContact CB-CD1 4.15Å; A233-A402 HydrophobicContact CB-CB 3.91Å; A233-A407 HydrophobicContact CB-CB 3.64Å; A233-T409 PolarHBondContact N-O 3.13Å; A233-L410 HydrophobicContact CB-CD2 3.9Å; A233-L410 CarbonylContact O-C 3.14Å; A233-L410 WeakPolarHBondContact O-CA 3.41Å; A233-V411 PolarHBondContact O-N 3.43Å
234	L	98.6	Very high	84	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.7	165.5	179.6	61.9	0	0	0	109	L250 F253 F261 L263 Y264 L265 L274 F277 V411 I413	L234-L250 HydrophobicContact CD2-CD2 3.83Å; L234-F253 HydrophobicContact CD1-CE2 4.43Å; L234-F261 HydrophobicContact CB-CB 4.19Å; L234-F261 HydrophobicContact CB-CD1 3.7Å; L234-F261 HydrophobicContact CB-CD2 3.86Å; L234-F261 HydrophobicContact CB-CE1 3.97Å; L234-F261 HydrophobicContact CB-CE2 4.13Å; L234-F261 HydrophobicContact CB-CG 3.63Å; L234-F261 HydrophobicContact CB-CZ 4.17Å; L234-F261 HydrophobicContact CD1-CE1 4.29Å; L234-F261 HydrophobicContact CD1-CE2 4.22Å; L234-F261 HydrophobicContact CD1-CZ 3.94Å; L234-F261 HydrophobicContact CD2-CD2 3.82Å; L234-F261 HydrophobicContact CD2-CE2 3.74Å; L234-F261 HydrophobicContact CD2-CG 4.46Å; L234-F261 HydrophobicContact CD2-CZ 4.31Å; L234-F261 HydrophobicContact CG-CD2 4.36Å; L234-F261 HydrophobicContact CG-CE2 4.26Å; L234-F261 HydrophobicContact CG-CZ 4.37Å; L234-L263 PolarHBondContact N-O 3.03Å; L234-Y264 HydrophobicContact CB-CD1 4.08Å; L234-Y264 HydrophobicContact CD2-CD1 4.15Å; L234-Y264 HydrophobicContact CD2-CE1 4.4Å; L234-Y264 CarbonylContact O-C 3.53Å; L234-Y264 WeakPolarHBondContact O-CA 3.13Å; L234-L265 PolarHBondContact O-N 2.74Å; L234-L274 HydrophobicContact CD2-CD2 3.57Å; L234-L274 HydrophobicContact CG-CD2 3.98Å; L234-F277 HydrophobicContact CD2-CD1 4.19Å; L234-F277 HydrophobicContact CD2-CE1 4.06Å; L234-V411 CarbonylContact C-O 3.55Å; L234-V411 WeakPolarHBondContact CA-O 3.44Å; L234-V411 HydrophobicContact CD1-CB 4.13Å; L234-V411 HydrophobicContact CD1-CG1 3.98Å; L234-I413 HydrophobicContact CD1-CD1 3.95Å; L234-I413 HydrophobicContact CD1-CG1 4.17Å
235	V	98.7	Very high	85.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.6	-177.9	-175.4	0	0	0	0	109.1	A233 L265 I397 P398 V399 A402 L410 V411 V412 I413	A233-V235 HydrophobicContact CB-CG2 4.47Å; V235-L265 CarbonylContact C-O 2.9Å; V235-L265 VanDerWaalsContact CA-O 3.29Å; V235-L265 WeakPolarHBondContact CA-O 3.34Å; V235-L265 HydrophobicContact CG2-CB 4.49Å; V235-L265 HydrophobicContact CG2-CD1 4.41Å; V235-I397 HydrophobicContact CG1-CG2 3.83Å; V235-P398 HydrophobicContact CG1-CG 3.95Å; V235-V399 HydrophobicContact CG1-CG1 4.12Å; V235-A402 HydrophobicContact CG2-CB 3.81Å; V235-L410 HydrophobicContact CG2-CD2 3.7Å; V235-V411 PolarHBondContact N-O 2.87Å; V235-V412 HydrophobicContact CB-CG1 4.47Å; V235-V412 HydrophobicContact CB-CG2 4.25Å; V235-V412 CarbonylContact O-C 3.26Å; V235-V412 WeakPolarHBondContact O-CA 3.4Å; V235-I413 PolarHBondContact O-N 3.14Å
236	C	98.6	Very high	88.1	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.8	-179.6	-68.5	0	0	0	0	111.3	T246 L265 T267 L274	C236-T246 HydrophobicContact CB-CG2 4.21Å; C236-L265 PolarHBondContact N-O 2.72Å; C236-T267 PolarHBondContact O-N 3.25Å; C236-L274 HydrophobicContact CB-CD1 3.93Å; C236-L274 HydrophobicContact CB-CG 4.02Å
237	E	97.6	Very high	90.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	12%	0.121	C	C	.	.			trans	-64.6	143.9	178.2	174.6	171.5	-157.6	0	0	112.6	G270 A396 I397 I413 R414 T415 Y453	E237-G270 WeakPolarHBondContact O-CA 3.21Å; E237-G270 PolarHBondContact O-N 3.07Å; E237-A396 WeakPolarHBondContact CA-O 3.45Å; E237-I397 HydrophobicContact CB-CD1 4.2Å; E237-I397 HydrophobicContact CB-CG1 3.84Å; E237-I397 HydrophobicContact CB-CG2 4.47Å; E237-I397 HydrophobicContact CG-CD1 4.05Å; E237-I397 HydrophobicContact CG-CG1 3.73Å; E237-I413 WeakPolarHBondContact CB-O 3.28Å; E237-I413 PolarHBondContact N-O 3.12Å; E237-R414 WeakPolarHBondContact OE2-CA 3.47Å; E237-R414 VanDerWaalsContact OE2-CB 3.26Å; E237-R414 WeakPolarHBondContact OE2-CB 3.27Å; E237-T415 PolarHBondContact OE2-N 3.45Å; E237-Y453 WeakPolarHBondContact OE1-CE2 3.35Å; E237-Y453 PolarHBondContact OE1-OH 3.31Å
238	G	94.8	Very high	92.4	Very high	11 Å²	11	17.1 Å²	17.1	11%	0.113	10%	0.1	C	C	.	.			trans	-77	145	167.3	0	0	0	0	0	113.2	T267 A396	G238-T267 WeakPolarHBondContact CA-O 3.21Å; G238-T267 PolarHBondContact N-O 3.47Å; G238-A396 PolarHBondContact N-O 3.47Å
239	G	90.3	Very high	94.1	Very high	8 Å²	8	12.5 Å²	12.5	8%	0.082	8%	0.075	C	C	.	.			trans	-174.2	19.2	-178.2	0	0	0	0	0	116	Q241 R242 A482	G239-Q241 PolarHBondContact O-N 2.88Å; G239-R242 WeakPolarHBondContact O-CB 3.41Å; G239-R242 PolarHBondContact O-N 2.71Å; G239-A482 WeakPolarHBondContact O-CA 3.18Å
240	G	93	Very high	95.9	Very high	19 Å²	19	11 Å²	11	20%	0.196	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	54.9	-131.3	-173.4	0	0	0	0	0	112	R242 G243 A269 A482	G240-R242 PolarHBondContact O-N 3.06Å; G240-R242 VanDerWaalsContact O-N 3.15Å; G240-G243 PolarHBondContact O-N 3.11Å; G240-A269 WeakPolarHBondContact O-CB 3.42Å; G240-A482 WeakPolarHBondContact CA-O 3.48Å
241	Q	96.3	Very high	96.8	Very high	4 Å²	4	10 Å²	10	2%	0.019	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-64.8	-17.2	-178.7	-66.3	-177.5	-42.1	0	0	114.4	G239 G243 I244 I289 T293 I481 A482 S485 L490	G239-Q241 PolarHBondContact O-N 2.88Å; Q241-G243 PolarHBondContact O-N 2.85Å; Q241-I244 VanDerWaalsContact O-CB 3.32Å; Q241-I244 WeakPolarHBondContact O-CB 3.48Å; Q241-I244 VanDerWaalsContact O-CG2 3.26Å; Q241-I244 WeakPolarHBondContact O-CG2 3.46Å; Q241-I244 PolarHBondContact O-N 3.05Å; Q241-I289 HydrophobicContact CB-CG2 4.28Å; Q241-I289 HydrophobicContact CG-CG2 4.36Å; Q241-T293 WeakPolarHBondContact CG-OG1 3.47Å; Q241-T293 PolarHBondContact NE2-O 2.8Å; Q241-T293 PolarHBondContact NE2-OG1 2.85Å; Q241-I481 WeakPolarHBondContact CB-O 3.47Å; Q241-A482 PolarHBondContact N-O 3.42Å; Q241-S485 PolarHBondContact OE1-OG 3.45Å; Q241-L490 HydrophobicContact CB-CD2 3.97Å
242	R	96.5	Very high	97.1	Very high	56 Å²	56	5.8 Å²	5.8	21%	0.211	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20.5	170.1	-61.7	-168.1	-58.3	-140.5	-0.5	113	G239 G240 I244 F245 T415 L478 S480	G239-R242 WeakPolarHBondContact O-CB 3.41Å; G239-R242 PolarHBondContact O-N 2.71Å; G240-R242 PolarHBondContact O-N 3.06Å; G240-R242 VanDerWaalsContact O-N 3.15Å; R242-I244 PolarHBondContact O-N 2.76Å; R242-F245 PolarHBondContact O-N 3.47Å; R242-F245 VanDerWaalsContact O-N 3.1Å; R242-T415 HydrophobicContact CB-CG2 4.26Å; R242-L478 HydrophobicContact CB-CD1 3.88Å; R242-L478 HydrophobicContact CG-CD1 4.34Å; R242-S480 WeakPolarHBondContact CG-O 3.33Å
243	G	97.5	Very high	97.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58.7	-6.6	169.9	0	0	0	0	0	113.8	G240 Q241 F245 T246 A247 N273	G240-G243 PolarHBondContact O-N 3.11Å; Q241-G243 PolarHBondContact O-N 2.85Å; G243-F245 PolarHBondContact O-N 3.3Å; G243-T246 WeakPolarHBondContact O-CB 3.42Å; G243-T246 PolarHBondContact O-N 3.38Å; G243-A247 PolarHBondContact O-N 3.19Å; G243-N273 PolarHBondContact O-ND2 3.21Å; G243-N273 VanDerWaalsContact O-ND2 3.1Å; G243-N273 PolarHBondContact O-OD1 3.08Å
244	I	98.4	Very high	97.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.2	-31.3	170.4	-165.1	63.1	0	0	0	112.5	Q241 R242 A247 G248 R286 I289 M290 L490 D493 Y494	Q241-I244 VanDerWaalsContact O-CB 3.32Å; Q241-I244 WeakPolarHBondContact O-CB 3.48Å; Q241-I244 VanDerWaalsContact O-CG2 3.26Å; Q241-I244 WeakPolarHBondContact O-CG2 3.46Å; Q241-I244 PolarHBondContact O-N 3.05Å; R242-I244 PolarHBondContact O-N 2.76Å; I244-A247 HydrophobicContact CD1-CB 4.43Å; I244-A247 WeakPolarHBondContact O-CB 3.49Å; I244-A247 PolarHBondContact O-N 3.18Å; I244-G248 PolarHBondContact O-N 3.21Å; I244-G248 VanDerWaalsContact O-N 3.14Å; I244-R286 HydrophobicContact CD1-CB 4.31Å; I244-R286 HydrophobicContact CD1-CG 4.09Å; I244-I289 HydrophobicContact CB-CD1 4.25Å; I244-I289 HydrophobicContact CB-CG2 4.07Å; I244-I289 HydrophobicContact CD1-CB 4.03Å; I244-I289 HydrophobicContact CD1-CD1 4.22Å; I244-I289 HydrophobicContact CD1-CG2 3.99Å; I244-I289 HydrophobicContact CG1-CG2 4.39Å; I244-M290 HydrophobicContact CD1-CG 4.05Å; I244-L490 HydrophobicContact CB-CD2 4.16Å; I244-L490 HydrophobicContact CG1-CB 4.24Å; I244-L490 HydrophobicContact CG1-CD2 4.48Å; I244-L490 VanDerWaalsContact CG1-O 3.28Å; I244-L490 WeakPolarHBondContact CG1-O 3.32Å; I244-L490 HydrophobicContact CG2-CD2 3.89Å; I244-D493 HydrophobicContact CG2-CB 3.73Å; I244-Y494 HydrophobicContact CD1-CD2 4.15Å; I244-Y494 HydrophobicContact CG1-CD2 4.43Å
245	F	98.1	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.5	-49.3	170.8	171.9	-94.1	0	0	0	110.2	R242 G243 A247 G248 V249 I413 R414 I472 Y473 P474 L478 L496 G497 C500	R242-F245 PolarHBondContact O-N 3.47Å; R242-F245 VanDerWaalsContact O-N 3.1Å; G243-F245 PolarHBondContact O-N 3.3Å; F245-A247 VanDerWaalsContact C-N 3.29Å; F245-A247 PolarHBondContact O-N 3.16Å; F245-G248 WeakPolarHBondContact O-CA 3.36Å; F245-G248 PolarHBondContact O-N 3.27Å; F245-V249 HydrophobicContact CD1-CG2 4.35Å; F245-V249 HydrophobicContact CE1-CG2 3.91Å; F245-V249 HydrophobicContact CZ-CG2 4.08Å; F245-V249 PolarHBondContact O-N 2.71Å; F245-V249 VanDerWaalsContact O-N 3.08Å; F245-I413 HydrophobicContact CD1-CG2 4.3Å; F245-I413 HydrophobicContact CE1-CG2 4.08Å; F245-R414 VanDerWaalsContact CD1-O 3.28Å; F245-R414 WeakPolarHBondContact CD1-O 3.5Å; F245-R414 VanDerWaalsContact CE1-O 3.25Å; F245-R414 WeakPolarHBondContact CE1-O 3.25Å; F245-I472 HydrophobicContact CE1-CG2 4.43Å; F245-I472 HydrophobicContact CZ-CG2 4.29Å; F245-Y473 VanDerWaalsContact CZ-C 3.49Å; F245-P474 HydrophobicContact CD2-CB 4.11Å; F245-P474 HydrophobicContact CE2-CB 3.91Å; F245-P474 HydrophobicContact CZ-CB 4.28Å; F245-L478 HydrophobicContact CB-CD1 3.81Å; F245-L478 HydrophobicContact CB-CD2 4.07Å; F245-L478 HydrophobicContact CD2-CD2 4.02Å; F245-L478 HydrophobicContact CG-CD1 4.45Å; F245-L478 HydrophobicContact CG-CD2 4.26Å; F245-L496 HydrophobicContact CD2-CG 4.31Å; F245-L496 HydrophobicContact CE2-CG 4.14Å; F245-G497 VanDerWaalsContact CE2-CA 3.5Å; F245-G497 WeakPolarHBondContact O-CA 3.45Å; F245-C500 HydrophobicContact CE2-CB 4.08Å; F245-C500 HydrophobicContact CZ-CB 3.88Å
246	T	98.6	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.8	-41.1	175.5	-52.3	0	0	0	0	111.6	C236 G243 G248 V249 L250 N273 I413	C236-T246 HydrophobicContact CB-CG2 4.21Å; G243-T246 WeakPolarHBondContact O-CB 3.42Å; G243-T246 PolarHBondContact O-N 3.38Å; T246-G248 VanDerWaalsContact C-N 3.29Å; T246-G248 PolarHBondContact O-N 3.08Å; T246-V249 PolarHBondContact O-N 3.11Å; T246-L250 HydrophobicContact CG2-CD1 3.95Å; T246-L250 HydrophobicContact CG2-CG 4.24Å; T246-L250 WeakPolarHBondContact O-CG 3.48Å; T246-L250 PolarHBondContact O-N 2.77Å; T246-N273 HydrophobicContact CG2-CB 3.85Å; T246-I413 HydrophobicContact CG2-CB 4.31Å; T246-I413 HydrophobicContact CG2-CD1 4.29Å; T246-I413 HydrophobicContact CG2-CG2 3.9Å
247	A	98.7	Very high	96.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-57.5	-43	175.2	0	0	0	0	0	111.6	G243 I244 F245 L250 D251 N273 A285 Y494	G243-A247 PolarHBondContact O-N 3.19Å; I244-A247 HydrophobicContact CD1-CB 4.43Å; I244-A247 WeakPolarHBondContact O-CB 3.49Å; I244-A247 PolarHBondContact O-N 3.18Å; F245-A247 VanDerWaalsContact C-N 3.29Å; F245-A247 PolarHBondContact O-N 3.16Å; A247-L250 PolarHBondContact O-N 3.08Å; A247-D251 VanDerWaalsContact O-CB 3.28Å; A247-D251 WeakPolarHBondContact O-CB 3.36Å; A247-D251 VanDerWaalsContact O-CG 3.24Å; A247-D251 PolarHBondContact O-N 3.37Å; A247-N273 WeakPolarHBondContact CA-OD1 3.46Å; A247-N273 WeakPolarHBondContact CB-OD1 3.41Å; A247-N273 PolarHBondContact N-OD1 2.91Å; A247-N273 VanDerWaalsContact N-OD1 3.08Å; A247-A285 HydrophobicContact CB-CB 3.88Å; A247-Y494 HydrophobicContact CB-CD2 4.31Å; A247-Y494 HydrophobicContact CB-CE2 4.34Å
248	G	98.2	Very high	96.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-44.2	175.8	0	0	0	0	0	113	I244 F245 T246 E252 Y494 R498	I244-G248 PolarHBondContact O-N 3.21Å; I244-G248 VanDerWaalsContact O-N 3.14Å; F245-G248 WeakPolarHBondContact O-CA 3.36Å; F245-G248 PolarHBondContact O-N 3.27Å; T246-G248 VanDerWaalsContact C-N 3.29Å; T246-G248 PolarHBondContact O-N 3.08Å; G248-E252 WeakPolarHBondContact O-CG 3.39Å; G248-E252 PolarHBondContact O-N 2.98Å; G248-Y494 VanDerWaalsContact CA-CE2 3.46Å; G248-R498 WeakPolarHBondContact O-CA 3.28Å; G248-R498 WeakPolarHBondContact O-CG 3.43Å
249	V	98.1	Very high	96.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-49	177.3	177.5	0	0	0	0	110.8	F245 T246 E252 F253 I413 I472 G497	F245-V249 HydrophobicContact CD1-CG2 4.35Å; F245-V249 HydrophobicContact CE1-CG2 3.91Å; F245-V249 HydrophobicContact CZ-CG2 4.08Å; F245-V249 PolarHBondContact O-N 2.71Å; F245-V249 VanDerWaalsContact O-N 3.08Å; T246-V249 PolarHBondContact O-N 3.11Å; V249-E252 WeakPolarHBondContact O-CB 3.32Å; V249-E252 PolarHBondContact O-N 3.41Å; V249-F253 HydrophobicContact CG1-CD1 4.43Å; V249-F253 HydrophobicContact CG1-CE1 4.01Å; V249-F253 HydrophobicContact CG1-CE2 4.45Å; V249-F253 HydrophobicContact CG1-CZ 4.04Å; V249-F253 WeakPolarHBondContact O-CD1 3.38Å; V249-F253 PolarHBondContact O-N 2.97Å; V249-F253 VanDerWaalsContact O-N 3.08Å; V249-I413 HydrophobicContact CB-CD1 4.11Å; V249-I413 HydrophobicContact CB-CG2 4.48Å; V249-I413 HydrophobicContact CG1-CD1 3.56Å; V249-I413 HydrophobicContact CG1-CG1 4.19Å; V249-I413 HydrophobicContact CG2-CG2 4.26Å; V249-I472 HydrophobicContact CG1-CD1 3.83Å; V249-I472 HydrophobicContact CG1-CG2 4.12Å; V249-I472 HydrophobicContact CG2-CG2 3.81Å; V249-G497 WeakPolarHBondContact CA-O 3.35Å; V249-G497 WeakPolarHBondContact CG2-O 3.32Å; V249-G497 PolarHBondContact N-O 3.12Å
250	L	98.7	Very high	96.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-71.6	-32.1	-176.2	-64.6	-178.2	0	0	0	113	L234 T246 A247 E252 F253 M254 N273 L274 F277 I413	L234-L250 HydrophobicContact CD2-CD2 3.83Å; T246-L250 HydrophobicContact CG2-CD1 3.95Å; T246-L250 HydrophobicContact CG2-CG 4.24Å; T246-L250 WeakPolarHBondContact O-CG 3.48Å; T246-L250 PolarHBondContact O-N 2.77Å; A247-L250 PolarHBondContact O-N 3.08Å; L250-E252 VanDerWaalsContact C-N 3.26Å; L250-E252 PolarHBondContact O-N 3.14Å; L250-F253 HydrophobicContact CD2-CD2 4.02Å; L250-F253 WeakPolarHBondContact O-CB 3.5Å; L250-F253 PolarHBondContact O-N 3.49Å; L250-M254 PolarHBondContact O-N 3.29Å; L250-N273 HydrophobicContact CD1-CB 3.92Å; L250-L274 HydrophobicContact CD1-CD2 4.41Å; L250-F277 HydrophobicContact CB-CB 4.41Å; L250-F277 HydrophobicContact CB-CD2 3.95Å; L250-F277 HydrophobicContact CB-CG 4.43Å; L250-F277 HydrophobicContact CD1-CB 3.97Å; L250-F277 HydrophobicContact CD1-CG 4.4Å; L250-F277 HydrophobicContact CD2-CD2 4.1Å; L250-F277 HydrophobicContact CD2-CE2 4.45Å; L250-F277 HydrophobicContact CD2-CG 4.21Å; L250-F277 HydrophobicContact CG-CD2 4.46Å; L250-I413 HydrophobicContact CD2-CD1 3.54Å; L250-I413 HydrophobicContact CG-CD1 4.04Å
251	D	98.5	Very high	96.6	Very high	14 Å²	14	23.3 Å²	23.3	8%	0.075	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-35.4	171.7	-80.8	-14.9	0	0	0	111.6	A247 M254 R255 G283 Y494	A247-D251 VanDerWaalsContact O-CB 3.28Å; A247-D251 WeakPolarHBondContact O-CB 3.36Å; A247-D251 VanDerWaalsContact O-CG 3.24Å; A247-D251 PolarHBondContact O-N 3.37Å; D251-M254 WeakPolarHBondContact OD1-CE 3.43Å; D251-R255 WeakPolarHBondContact O-CB 3.39Å; D251-R255 PolarHBondContact O-N 3.31Å; D251-G283 PolarHBondContact OD1-N 3.35Å; D251-G283 WeakPolarHBondContact OD2-CA 3.11Å; D251-G283 PolarHBondContact OD2-N 2.98Å; D251-Y494 VanDerWaalsContact OD2-CE2 3.28Å; D251-Y494 WeakPolarHBondContact OD2-CE2 3.34Å; D251-Y494 PolarHBondContact OD2-OH 2.88Å
252	E	97	Very high	96.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-73	-35.1	174.8	-67.2	-72.6	147.6	0	0	112.5	G248 V249 L250 R255 A256 R498 R502 L505	G248-E252 WeakPolarHBondContact O-CG 3.39Å; G248-E252 PolarHBondContact O-N 2.98Å; V249-E252 WeakPolarHBondContact O-CB 3.32Å; V249-E252 PolarHBondContact O-N 3.41Å; L250-E252 VanDerWaalsContact C-N 3.26Å; L250-E252 PolarHBondContact O-N 3.14Å; E252-R255 PolarHBondContact O-N 3.13Å; E252-R255 IonicContact OE1-CZ 3.78Å; E252-R255 IonicContact OE1-NH1 3.31Å; E252-R255 PolarHBondContact OE1-NH1 2.92Å; E252-R255 IonicContact OE2-CZ 3.78Å; E252-R255 IonicContact OE2-NE 3.14Å; E252-R255 IonicContact OE2-NH1 3.91Å; E252-R255 PolarHBondContact OE2-NH1 3.45Å; E252-R255 IonicContact OE2-NH2 3.93Å; E252-R255 PolarHBondContact OE2-NH2 3.42Å; E252-A256 WeakPolarHBondContact O-CB 3.49Å; E252-A256 PolarHBondContact O-N 2.95Å; E252-R498 HydrophobicContact CG-CB 3.65Å; E252-R498 HydrophobicContact CG-CG 3.85Å; E252-R498 WeakPolarHBondContact CG-O 3.43Å; E252-R498 IonicContact OE1-CZ 3.08Å; E252-R498 IonicContact OE1-NE 3.47Å; E252-R498 PolarHBondContact OE1-NE 2.89Å; E252-R498 IonicContact OE1-NH2 2.66Å; E252-R498 PolarHBondContact OE1-NH2 3.24Å; E252-R502 HydrophobicContact CG-CG 4.23Å; E252-R502 IonicContact OE1-CZ 2.95Å; E252-R502 IonicContact OE1-NE 2.78Å; E252-R502 PolarHBondContact OE1-NE 2.97Å; E252-R502 IonicContact OE1-NH2 2.63Å; E252-R502 PolarHBondContact OE1-NH2 3.22Å; E252-R502 WeakPolarHBondContact OE2-CD 3.3Å; E252-R502 WeakPolarHBondContact OE2-CG 3.25Å; E252-R502 IonicContact OE2-CZ 3.37Å; E252-R502 IonicContact OE2-NE 3.13Å; E252-R502 PolarHBondContact OE2-NE 3.18Å; E252-R502 IonicContact OE2-NH2 3.33Å; E252-L505 HydrophobicContact CB-CD1 4.42Å
253	F	97.1	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-46.5	171.4	-74.5	10.5	0	0	0	110.9	L234 V249 L250 A256 Q257 F258 F261 F277 I472 F504 L505	L234-F253 HydrophobicContact CD1-CE2 4.43Å; V249-F253 HydrophobicContact CG1-CD1 4.43Å; V249-F253 HydrophobicContact CG1-CE1 4.01Å; V249-F253 HydrophobicContact CG1-CE2 4.45Å; V249-F253 HydrophobicContact CG1-CZ 4.04Å; V249-F253 WeakPolarHBondContact O-CD1 3.38Å; V249-F253 PolarHBondContact O-N 2.97Å; V249-F253 VanDerWaalsContact O-N 3.08Å; L250-F253 HydrophobicContact CD2-CD2 4.02Å; L250-F253 WeakPolarHBondContact O-CB 3.5Å; L250-F253 PolarHBondContact O-N 3.49Å; F253-A256 CarbonylContact O-C 3.57Å; F253-A256 PolarHBondContact O-N 3.22Å; F253-Q257 PolarHBondContact O-N 3.24Å; F253-F258 HydrophobicContact CB-CB 4.42Å; F253-F258 HydrophobicContact CB-CD1 4.27Å; F253-F258 AromaticContact CD1-CD1 3.92Å; F253-F258 HydrophobicContact CD1-CD1 3.92Å; F253-F258 AromaticContact CD2-CD1 3.72Å; F253-F258 HydrophobicContact CD2-CD1 3.72Å; F253-F258 HydrophobicContact CD2-CE1 4.12Å; F253-F258 HydrophobicContact CE1-CD1 4.1Å; F253-F258 HydrophobicContact CE1-CE1 4.29Å; F253-F258 AromaticContact CE2-CD1 3.91Å; F253-F258 HydrophobicContact CE2-CD1 3.91Å; F253-F258 AromaticContact CE2-CE1 3.84Å; F253-F258 HydrophobicContact CE2-CE1 3.84Å; F253-F258 AromaticContact CG-CD1 3.71Å; F253-F258 HydrophobicContact CG-CD1 3.71Å; F253-F258 HydrophobicContact CG-CE1 4.45Å; F253-F258 HydrophobicContact CZ-CD1 4.08Å; F253-F258 AromaticContact CZ-CE1 3.91Å; F253-F258 HydrophobicContact CZ-CE1 3.91Å; F253-F258 PolarHBondContact O-N 2.9Å; F253-F261 HydrophobicContact CD2-CE2 4.02Å; F253-F261 HydrophobicContact CD2-CZ 4.35Å; F253-F261 HydrophobicContact CE2-CE2 4.01Å; F253-F261 AromaticContact CE2-CZ 3.88Å; F253-F261 HydrophobicContact CE2-CZ 3.88Å; F253-F277 HydrophobicContact CB-CE2 3.65Å; F253-F277 HydrophobicContact CB-CZ 4.19Å; F253-I472 HydrophobicContact CE1-CD1 4.25Å; F253-I472 HydrophobicContact CE2-CD1 4.47Å; F253-I472 HydrophobicContact CZ-CD1 3.58Å; F253-F504 AromaticContact CE1-CD1 3.71Å; F253-F504 HydrophobicContact CE1-CD1 3.71Å; F253-F504 HydrophobicContact CE1-CE1 4.36Å; F253-F504 HydrophobicContact CE1-CG 4.47Å; F253-F504 AromaticContact CZ-CD1 3.54Å; F253-F504 HydrophobicContact CZ-CD1 3.54Å; F253-F504 AromaticContact CZ-CE1 3.81Å; F253-F504 HydrophobicContact CZ-CE1 3.81Å; F253-F504 HydrophobicContact CZ-CG 4.33Å; F253-L505 HydrophobicContact CD1-CD1 4.1Å; F253-L505 HydrophobicContact CD1-CD2 3.91Å; F253-L505 HydrophobicContact CD1-CG 3.97Å; F253-L505 HydrophobicContact CE1-CD2 4.07Å; F253-L505 HydrophobicContact CE1-CG 4.02Å
254	M	97.1	Very high	96.7	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.079	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-43.5	175.1	-72.6	-176.4	-76.9	0	0	111.9	L250 D251 A256 Q257 F277 P282	L250-M254 PolarHBondContact O-N 3.29Å; D251-M254 WeakPolarHBondContact OD1-CE 3.43Å; M254-A256 VanDerWaalsContact C-N 3.26Å; M254-A256 PolarHBondContact O-N 3.29Å; M254-Q257 PolarHBondContact O-N 3.43Å; M254-F277 HydrophobicContact CE-CD2 4.32Å; M254-F277 HydrophobicContact CG-CD2 3.52Å; M254-F277 HydrophobicContact CG-CE2 3.67Å; M254-F277 HydrophobicContact SD-CD2 4.11Å; M254-P282 HydrophobicContact CB-CG 4.14Å; M254-P282 HydrophobicContact CE-CB 4.44Å; M254-P282 HydrophobicContact SD-CG 4.09Å
255	R	95.7	Very high	96.7	Very high	126 Å²	126	22.8 Å²	22.8	48%	0.475	11%	0.11	S	C	.	.	H	α-helix	trans	-58.4	-39.8	176.4	-166.5	-167.2	75.7	-144.7	-13	111.9	D251 E252 Q257	D251-R255 WeakPolarHBondContact O-CB 3.39Å; D251-R255 PolarHBondContact O-N 3.31Å; E252-R255 PolarHBondContact O-N 3.13Å; E252-R255 IonicContact OE1-CZ 3.78Å; E252-R255 IonicContact OE1-NH1 3.31Å; E252-R255 PolarHBondContact OE1-NH1 2.92Å; E252-R255 IonicContact OE2-CZ 3.78Å; E252-R255 IonicContact OE2-NE 3.14Å; E252-R255 IonicContact OE2-NH1 3.91Å; E252-R255 PolarHBondContact OE2-NH1 3.45Å; E252-R255 IonicContact OE2-NH2 3.93Å; E252-R255 PolarHBondContact OE2-NH2 3.42Å; R255-Q257 VanDerWaalsContact C-N 3.28Å
256	A	91.7	Very high	96.7	Very high	13 Å²	13	22.8 Å²	22.8	11%	0.107	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	5.6	179.1	0	0	0	0	0	113.7	E252 F253 M254 F258 L505 P517 L518	E252-A256 WeakPolarHBondContact O-CB 3.49Å; E252-A256 PolarHBondContact O-N 2.95Å; F253-A256 CarbonylContact O-C 3.57Å; F253-A256 PolarHBondContact O-N 3.22Å; M254-A256 VanDerWaalsContact C-N 3.26Å; M254-A256 PolarHBondContact O-N 3.29Å; A256-F258 HydrophobicContact CB-CB 4.33Å; A256-F258 PolarHBondContact O-N 3.43Å; A256-F258 VanDerWaalsContact O-N 3.08Å; A256-L505 HydrophobicContact CB-CD1 3.59Å; A256-L505 HydrophobicContact CB-CD2 4.28Å; A256-P517 HydrophobicContact CB-CB 4.31Å; A256-L518 HydrophobicContact CB-CD2 4.42Å
257	Q	93.6	Very high	96.7	Very high	181 Å²	181	22.8 Å²	22.8	85%	0.846	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	32.3	-173	-58.6	-176.5	-40.8	0	0	112.9	F253 M254 R255 N259	F253-Q257 PolarHBondContact O-N 3.24Å; M254-Q257 PolarHBondContact O-N 3.43Å; R255-Q257 VanDerWaalsContact C-N 3.28Å; Q257-N259 PolarHBondContact O-N 3.08Å
258	F	93.6	Very high	96.6	Very high	3 Å²	3	23 Å²	23	1%	0.013	11%	0.111	C	C	.	.			trans	-89.9	98.8	-177	179.8	-101.8	0	0	0	110	F253 A256 P260 F261 F504 L505 G509 L512 T513 P517	F253-F258 HydrophobicContact CB-CB 4.42Å; F253-F258 HydrophobicContact CB-CD1 4.27Å; F253-F258 AromaticContact CD1-CD1 3.92Å; F253-F258 HydrophobicContact CD1-CD1 3.92Å; F253-F258 AromaticContact CD2-CD1 3.72Å; F253-F258 HydrophobicContact CD2-CD1 3.72Å; F253-F258 HydrophobicContact CD2-CE1 4.12Å; F253-F258 HydrophobicContact CE1-CD1 4.1Å; F253-F258 HydrophobicContact CE1-CE1 4.29Å; F253-F258 AromaticContact CE2-CD1 3.91Å; F253-F258 HydrophobicContact CE2-CD1 3.91Å; F253-F258 AromaticContact CE2-CE1 3.84Å; F253-F258 HydrophobicContact CE2-CE1 3.84Å; F253-F258 AromaticContact CG-CD1 3.71Å; F253-F258 HydrophobicContact CG-CD1 3.71Å; F253-F258 HydrophobicContact CG-CE1 4.45Å; F253-F258 HydrophobicContact CZ-CD1 4.08Å; F253-F258 AromaticContact CZ-CE1 3.91Å; F253-F258 HydrophobicContact CZ-CE1 3.91Å; F253-F258 PolarHBondContact O-N 2.9Å; A256-F258 HydrophobicContact CB-CB 4.33Å; A256-F258 PolarHBondContact O-N 3.43Å; A256-F258 VanDerWaalsContact O-N 3.08Å; F258-P260 HydrophobicContact CD2-CG 4.34Å; F258-P260 HydrophobicContact CE1-CG 4.06Å; F258-P260 HydrophobicContact CE2-CG 3.71Å; F258-P260 HydrophobicContact CZ-CG 3.54Å; F258-F261 HydrophobicContact CD1-CE2 4.3Å; F258-F261 HydrophobicContact CD1-CZ 4.38Å; F258-F261 AromaticContact CE1-CE2 4Å; F258-F261 HydrophobicContact CE1-CE2 4Å; F258-F261 AromaticContact CE1-CZ 3.65Å; F258-F261 HydrophobicContact CE1-CZ 3.65Å; F258-F261 HydrophobicContact CZ-CZ 4.37Å; F258-F504 HydrophobicContact CE1-CD1 4.49Å; F258-F504 AromaticContact CE1-CE1 3.89Å; F258-F504 HydrophobicContact CE1-CE1 3.89Å; F258-F504 AromaticContact CZ-CE1 3.96Å; F258-F504 HydrophobicContact CZ-CE1 3.96Å; F258-L505 HydrophobicContact CB-CD2 3.43Å; F258-L505 VanDerWaalsContact CB-CD2 3.43Å; F258-L505 HydrophobicContact CD1-CD2 3.56Å; F258-L505 HydrophobicContact CD2-CD2 3.74Å; F258-L505 HydrophobicContact CE1-CD2 4.21Å; F258-L505 HydrophobicContact CE2-CD2 4.37Å; F258-L505 HydrophobicContact CG-CD2 3.28Å; F258-G509 WeakPolarHBondContact CE2-O 3.37Å; F258-L512 HydrophobicContact CE2-CB 4.33Å; F258-L512 HydrophobicContact CZ-CB 4.17Å; F258-L512 HydrophobicContact CZ-CD1 4.04Å; F258-T513 HydrophobicContact CD2-CG2 3.7Å; F258-T513 HydrophobicContact CE2-CG2 3.54Å; F258-P517 HydrophobicContact CB-CB 4.2Å; F258-P517 HydrophobicContact CD2-CB 3.96Å; F258-P517 HydrophobicContact CD2-CG 4.18Å; F258-P517 HydrophobicContact CG-CB 4.48Å
259	N	94.5	Very high	96.6	Very high	47 Å²	47	23 Å²	23	25%	0.251	11%	0.111	S	C	.	.			trans	-143	66.9	174.1	-169.5	9.2	0	0	0	112.8	Q257 F261 Y264 F277	Q257-N259 PolarHBondContact O-N 3.08Å; N259-F261 PolarHBondContact O-N 2.56Å; N259-F261 VanDerWaalsContact OD1-CD2 3.31Å; N259-F261 WeakPolarHBondContact OD1-CD2 3.36Å; N259-Y264 VanDerWaalsContact CG-OH 3.23Å; N259-Y264 PolarHBondContact ND2-OH 3.07Å; N259-Y264 PolarHBondContact OD1-OH 3.24Å; N259-F277 HydrophobicContact CB-CE1 4.4Å; N259-F277 HydrophobicContact CB-CZ 4.02Å
260	P	93.6	Very high	96.6	Very high	25 Å²	25	23 Å²	23	16%	0.162	11%	0.111	C	C	.	.			trans	-78.7	6	177.9	34.9	-37.5	0	0	0	113.7	I232 F258 L512 T513	I232-P260 HydrophobicContact CD1-CB 4.16Å; F258-P260 HydrophobicContact CD2-CG 4.34Å; F258-P260 HydrophobicContact CE1-CG 4.06Å; F258-P260 HydrophobicContact CE2-CG 3.71Å; F258-P260 HydrophobicContact CZ-CG 3.54Å; P260-L512 WeakPolarHBondContact CB-O 3.09Å; P260-L512 HydrophobicContact CG-CB 4.21Å; P260-T513 HydrophobicContact CB-CG2 3.74Å; P260-T513 HydrophobicContact CG-CG2 3.95Å
261	F	96.5	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.			trans	-84.8	136.2	-166.5	-52.4	-66.8	0	0	0	112.6	I232 L234 F253 F258 N259 Y264 F277 K339 V411	I232-F261 HydrophobicContact CB-CD1 4.31Å; I232-F261 HydrophobicContact CG2-CD1 3.64Å; I232-F261 HydrophobicContact CG2-CE1 3.98Å; L234-F261 HydrophobicContact CB-CB 4.19Å; L234-F261 HydrophobicContact CB-CD1 3.7Å; L234-F261 HydrophobicContact CB-CD2 3.86Å; L234-F261 HydrophobicContact CB-CE1 3.97Å; L234-F261 HydrophobicContact CB-CE2 4.13Å; L234-F261 HydrophobicContact CB-CG 3.63Å; L234-F261 HydrophobicContact CB-CZ 4.17Å; L234-F261 HydrophobicContact CD1-CE1 4.29Å; L234-F261 HydrophobicContact CD1-CE2 4.22Å; L234-F261 HydrophobicContact CD1-CZ 3.94Å; L234-F261 HydrophobicContact CD2-CD2 3.82Å; L234-F261 HydrophobicContact CD2-CE2 3.74Å; L234-F261 HydrophobicContact CD2-CG 4.46Å; L234-F261 HydrophobicContact CD2-CZ 4.31Å; L234-F261 HydrophobicContact CG-CD2 4.36Å; L234-F261 HydrophobicContact CG-CE2 4.26Å; L234-F261 HydrophobicContact CG-CZ 4.37Å; F253-F261 HydrophobicContact CD2-CE2 4.02Å; F253-F261 HydrophobicContact CD2-CZ 4.35Å; F253-F261 HydrophobicContact CE2-CE2 4.01Å; F253-F261 AromaticContact CE2-CZ 3.88Å; F253-F261 HydrophobicContact CE2-CZ 3.88Å; F258-F261 HydrophobicContact CD1-CE2 4.3Å; F258-F261 HydrophobicContact CD1-CZ 4.38Å; F258-F261 AromaticContact CE1-CE2 4Å; F258-F261 HydrophobicContact CE1-CE2 4Å; F258-F261 AromaticContact CE1-CZ 3.65Å; F258-F261 HydrophobicContact CE1-CZ 3.65Å; F258-F261 HydrophobicContact CZ-CZ 4.37Å; N259-F261 PolarHBondContact O-N 2.56Å; N259-F261 VanDerWaalsContact OD1-CD2 3.31Å; N259-F261 WeakPolarHBondContact OD1-CD2 3.36Å; F261-Y264 HydrophobicContact CB-CD1 4.29Å; F261-Y264 HydrophobicContact CB-CE1 3.64Å; F261-Y264 HydrophobicContact CD2-CE1 4.11Å; F261-Y264 HydrophobicContact CG-CE1 4.27Å; F261-Y264 PolarHBondContact O-OH 3.37Å; F261-F277 HydrophobicContact CD2-CE1 4.31Å; F261-K339 WeakPolarHBondContact O-CD 3.37Å; F261-K339 WeakPolarHBondContact O-CE 3.36Å; F261-K339 PolarHBondContact O-NZ 2.9Å; F261-V411 HydrophobicContact CE1-CB 3.79Å; F261-V411 HydrophobicContact CE1-CG1 4.47Å; F261-V411 HydrophobicContact CE1-CG2 3.67Å; F261-V411 HydrophobicContact CZ-CB 4.22Å; F261-V411 HydrophobicContact CZ-CG1 4.42Å; F261-V411 HydrophobicContact CZ-CG2 4.26Å
262	D	95.8	Very high	96.5	Very high	50 Å²	50	24.3 Å²	24.3	27%	0.267	12%	0.116	S	C	.	.	S	Bend	trans	-94.7	-28	174	-53.7	-57.1	0	0	0	112	R231 I232 K339 S340	R231-D262 VanDerWaalsContact CA-OD2 3.32Å; R231-D262 WeakPolarHBondContact CA-OD2 3.22Å; R231-D262 HydrophobicContact CG-CB 3.65Å; I232-D262 PolarHBondContact N-OD2 3.33Å; I232-D262 PolarHBondContact O-N 3.32Å; D262-K339 CarbonylContact O-C 3.52Å; D262-K339 VanDerWaalsContact O-CA 3.25Å; D262-K339 WeakPolarHBondContact O-CA 3.4Å; D262-K339 IonicContact OD1-NZ 3.5Å; D262-S340 PolarHBondContact O-N 3.41Å
263	L	97.6	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137	-177	-68.7	173.3	0	0	0	109.7	R231 I232 A233 L234 L265 S340 Y342 Q405 A407	R231-L263 HydrophobicContact CG-CD1 4.16Å; R231-L263 HydrophobicContact CG-CG 4.36Å; I232-L263 PolarHBondContact O-N 3.33Å; I232-L263 VanDerWaalsContact O-N 3.13Å; A233-L263 CarbonylContact C-O 3.57Å; A233-L263 VanDerWaalsContact CA-O 3.25Å; A233-L263 WeakPolarHBondContact CA-O 3.41Å; A233-L263 HydrophobicContact CB-CB 3.83Å; L234-L263 PolarHBondContact N-O 3.03Å; L263-L265 HydrophobicContact CB-CD1 4.01Å; L263-S340 CarbonylContact C-O 3.54Å; L263-S340 WeakPolarHBondContact CA-O 3.46Å; L263-Y342 HydrophobicContact CD2-CE2 4.05Å; L263-Q405 HydrophobicContact CD1-CB 3.63Å; L263-Q405 HydrophobicContact CD2-CB 4.45Å; L263-A407 HydrophobicContact CD1-CB 4.25Å
264	Y	98.7	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.9	172.8	-51.4	-87.8	0	0	0	108.1	L234 N259 F261 L274 F277 I278 K339 S340 F341 Y342	L234-Y264 HydrophobicContact CB-CD1 4.08Å; L234-Y264 HydrophobicContact CD2-CD1 4.15Å; L234-Y264 HydrophobicContact CD2-CE1 4.4Å; L234-Y264 CarbonylContact O-C 3.53Å; L234-Y264 WeakPolarHBondContact O-CA 3.13Å; N259-Y264 VanDerWaalsContact CG-OH 3.23Å; N259-Y264 PolarHBondContact ND2-OH 3.07Å; N259-Y264 PolarHBondContact OD1-OH 3.24Å; F261-Y264 HydrophobicContact CB-CD1 4.29Å; F261-Y264 HydrophobicContact CB-CE1 3.64Å; F261-Y264 HydrophobicContact CD2-CE1 4.11Å; F261-Y264 HydrophobicContact CG-CE1 4.27Å; F261-Y264 PolarHBondContact O-OH 3.37Å; Y264-L274 HydrophobicContact CD1-CD2 4.04Å; Y264-F277 HydrophobicContact CD1-CD1 4.49Å; Y264-F277 HydrophobicContact CE1-CD1 4.09Å; Y264-F277 AromaticContact CE1-CE1 3.84Å; Y264-F277 HydrophobicContact CE1-CE1 3.84Å; Y264-I278 HydrophobicContact CD1-CD1 3.98Å; Y264-I278 HydrophobicContact CD1-CG1 4Å; Y264-I278 HydrophobicContact CD2-CD1 3.68Å; Y264-I278 HydrophobicContact CD2-CG1 4.09Å; Y264-I278 HydrophobicContact CE1-CG1 4.14Å; Y264-I278 HydrophobicContact CE2-CD1 4.3Å; Y264-I278 HydrophobicContact CE2-CG1 4.23Å; Y264-I278 HydrophobicContact CG-CD1 3.49Å; Y264-I278 VanDerWaalsContact CG-CD1 3.49Å; Y264-I278 HydrophobicContact CG-CG1 3.97Å; Y264-K339 HydrophobicContact CE2-CB 4.06Å; Y264-K339 HydrophobicContact CE2-CD 4.21Å; Y264-S340 WeakPolarHBondContact CD2-O 3.47Å; Y264-S340 PolarHBondContact N-O 2.89Å; Y264-F341 HydrophobicContact CD2-CB 4.45Å; Y264-F341 CarbonylContact O-C 3.57Å; Y264-F341 WeakPolarHBondContact O-CA 3.22Å; Y264-Y342 PolarHBondContact O-N 2.82Å
265	L	98.7	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.2	176.7	-57.9	87.3	0	0	0	109.7	A233 L234 V235 C236 L263 L274 Y342 P398 E401 A402	A233-L265 HydrophobicContact CB-CD1 4.15Å; L234-L265 PolarHBondContact O-N 2.74Å; V235-L265 CarbonylContact C-O 2.9Å; V235-L265 VanDerWaalsContact CA-O 3.29Å; V235-L265 WeakPolarHBondContact CA-O 3.34Å; V235-L265 HydrophobicContact CG2-CB 4.49Å; V235-L265 HydrophobicContact CG2-CD1 4.41Å; C236-L265 PolarHBondContact N-O 2.72Å; L263-L265 HydrophobicContact CB-CD1 4.01Å; L265-L274 VanDerWaalsContact O-CD1 3.22Å; L265-L274 WeakPolarHBondContact O-CD1 3.49Å; L265-Y342 WeakPolarHBondContact CA-O 3.39Å; L265-Y342 HydrophobicContact CG-CD2 4.26Å; L265-P398 HydrophobicContact CB-CB 4.27Å; L265-P398 HydrophobicContact CB-CG 3.61Å; L265-P398 HydrophobicContact CD2-CB 4.26Å; L265-P398 HydrophobicContact CD2-CG 4.49Å; L265-E401 HydrophobicContact CD2-CB 3.85Å; L265-E401 HydrophobicContact CD2-CG 3.51Å; L265-A402 HydrophobicContact CD1-CB 3.57Å; L265-A402 HydrophobicContact CD2-CB 3.88Å; L265-A402 HydrophobicContact CG-CB 4.31Å
266	G	98.5	Very high	96.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.4	-178.3	0	0	0	0	0	112.5	Y342 M343 C344	G266-Y342 PolarHBondContact N-O 3.01Å; G266-M343 WeakPolarHBondContact O-CA 3.21Å; G266-C344 PolarHBondContact O-N 2.81Å
267	T	98.4	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.1	174.5	-57.6	0	0	0	0	108.9	C236 G238 A269 G270 C344 D395	C236-T267 PolarHBondContact O-N 3.25Å; G238-T267 WeakPolarHBondContact CA-O 3.21Å; G238-T267 PolarHBondContact N-O 3.47Å; T267-A269 PolarHBondContact O-N 3.14Å; T267-G270 WeakPolarHBondContact O-CA 3.36Å; T267-G270 PolarHBondContact O-N 3.06Å; T267-C344 HydrophobicContact CG2-CB 4.28Å; T267-C344 VanDerWaalsContact OG1-CB 3.28Å; T267-C344 WeakPolarHBondContact OG1-CB 3.37Å; T267-D395 WeakPolarHBondContact CG2-O 3.5Å; T267-D395 PolarHBondContact OG1-O 2.88Å
268	S	97.5	Very high	97.4	Very high	6 Å²	6	8.8 Å²	8.8	4%	0.042	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-122	174.6	-171.9	0	0	0	0	111.6	G270 A271 Q272 S370 D390	S268-G270 PolarHBondContact O-N 3.47Å; S268-G270 VanDerWaalsContact O-N 3.11Å; S268-A271 WeakPolarHBondContact O-CA 3.03Å; S268-A271 WeakPolarHBondContact O-CB 3.34Å; S268-A271 PolarHBondContact O-N 2.9Å; S268-Q272 PolarHBondContact O-N 2.61Å; S268-S370 VanDerWaalsContact CA-O 3.28Å; S268-S370 WeakPolarHBondContact CA-O 3.49Å; S268-S370 WeakPolarHBondContact CB-O 3.22Å; S268-S370 PolarHBondContact N-O 3.48Å; S268-S370 PolarHBondContact N-OG 2.95Å; S268-D390 WeakPolarHBondContact CB-OD1 3.43Å; S268-D390 VanDerWaalsContact CB-OD2 3.25Å; S268-D390 WeakPolarHBondContact CB-OD2 3.39Å; S268-D390 PolarHBondContact OG-OD2 2.81Å
269	A	97.2	Very high	97.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-52.7	-31.3	174.1	0	0	0	0	0	114.2	G240 T267 Q272 N273	G240-A269 WeakPolarHBondContact O-CB 3.42Å; T267-A269 PolarHBondContact O-N 3.14Å; A269-Q272 PolarHBondContact O-N 3.09Å; A269-N273 WeakPolarHBondContact O-CB 3.26Å; A269-N273 PolarHBondContact O-N 3.37Å; A269-N273 PolarHBondContact O-ND2 3.42Å
270	G	98.3	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.7	-41.1	173.5	0	0	0	0	0	112.6	E237 T267 S268 N273 L274	E237-G270 WeakPolarHBondContact O-CA 3.21Å; E237-G270 PolarHBondContact O-N 3.07Å; T267-G270 WeakPolarHBondContact O-CA 3.36Å; T267-G270 PolarHBondContact O-N 3.06Å; S268-G270 PolarHBondContact O-N 3.47Å; S268-G270 VanDerWaalsContact O-N 3.11Å; G270-N273 PolarHBondContact O-N 2.93Å; G270-L274 WeakPolarHBondContact O-CB 3.35Å; G270-L274 WeakPolarHBondContact O-CG 3.41Å; G270-L274 PolarHBondContact O-N 2.91Å
271	A	98.4	Very high	97.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.5	-39.4	174.1	0	0	0	0	0	112	S268 L274 S275 F341 M343	S268-A271 WeakPolarHBondContact O-CA 3.03Å; S268-A271 WeakPolarHBondContact O-CB 3.34Å; S268-A271 PolarHBondContact O-N 2.9Å; A271-L274 PolarHBondContact O-N 3.36Å; A271-S275 WeakPolarHBondContact O-CB 3.25Å; A271-S275 PolarHBondContact O-N 3.21Å; A271-S275 PolarHBondContact O-OG 3.4Å; A271-F341 HydrophobicContact CB-CZ 4.46Å; A271-F341 WeakPolarHBondContact O-CZ 3.35Å; A271-M343 HydrophobicContact CB-CB 4.17Å; A271-M343 HydrophobicContact CB-CG 3.86Å; A271-M343 HydrophobicContact CB-SD 4.12Å
272	Q	98.1	Very high	97.8	Very high	42 Å²	42	14.7 Å²	14.7	20%	0.196	8%	0.081	C	C	.	.	H	α-helix	trans	-63.9	-44.8	175.7	-66.2	172.3	-20.1	0	0	111.8	S268 A269 S275 A276 I367 S371	S268-Q272 PolarHBondContact O-N 2.61Å; A269-Q272 PolarHBondContact O-N 3.09Å; Q272-S275 WeakPolarHBondContact O-CB 3.28Å; Q272-S275 PolarHBondContact O-N 3.24Å; Q272-A276 PolarHBondContact O-N 2.92Å; Q272-I367 HydrophobicContact CG-CG2 3.86Å; Q272-S371 PolarHBondContact NE2-OG 3.33Å
273	N	98.7	Very high	97.8	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-43.8	176.2	-87.9	-78.4	0	0	0	112.3	G243 T246 A247 L250 A269 G270 S275 A276 F277 A285	G243-N273 PolarHBondContact O-ND2 3.21Å; G243-N273 VanDerWaalsContact O-ND2 3.1Å; G243-N273 PolarHBondContact O-OD1 3.08Å; T246-N273 HydrophobicContact CG2-CB 3.85Å; A247-N273 WeakPolarHBondContact CA-OD1 3.46Å; A247-N273 WeakPolarHBondContact CB-OD1 3.41Å; A247-N273 PolarHBondContact N-OD1 2.91Å; A247-N273 VanDerWaalsContact N-OD1 3.08Å; L250-N273 HydrophobicContact CD1-CB 3.92Å; A269-N273 WeakPolarHBondContact O-CB 3.26Å; A269-N273 PolarHBondContact O-N 3.37Å; A269-N273 PolarHBondContact O-ND2 3.42Å; G270-N273 PolarHBondContact O-N 2.93Å; N273-S275 VanDerWaalsContact C-N 3.29Å; N273-S275 PolarHBondContact O-N 3.21Å; N273-A276 WeakPolarHBondContact O-CB 3.34Å; N273-A276 PolarHBondContact O-N 3.38Å; N273-F277 PolarHBondContact O-N 3.48Å; N273-A285 WeakPolarHBondContact OD1-CB 3.33Å
274	L	98.7	Very high	97.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-33.8	174.8	-77	173.5	0	0	0	112.5	L234 C236 L250 Y264 L265 G270 A271 A276 F277 I278 F341	L234-L274 HydrophobicContact CD2-CD2 3.57Å; L234-L274 HydrophobicContact CG-CD2 3.98Å; C236-L274 HydrophobicContact CB-CD1 3.93Å; C236-L274 HydrophobicContact CB-CG 4.02Å; L250-L274 HydrophobicContact CD1-CD2 4.41Å; Y264-L274 HydrophobicContact CD1-CD2 4.04Å; L265-L274 VanDerWaalsContact O-CD1 3.22Å; L265-L274 WeakPolarHBondContact O-CD1 3.49Å; G270-L274 WeakPolarHBondContact O-CB 3.35Å; G270-L274 WeakPolarHBondContact O-CG 3.41Å; G270-L274 PolarHBondContact O-N 2.91Å; A271-L274 PolarHBondContact O-N 3.36Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3.14Å; L274-F277 PolarHBondContact O-N 2.94Å; L274-I278 HydrophobicContact CB-CD1 4.33Å; L274-I278 WeakPolarHBondContact O-CB 3.37Å; L274-I278 WeakPolarHBondContact O-CD1 3.48Å; L274-I278 WeakPolarHBondContact O-CG1 3.41Å; L274-I278 PolarHBondContact O-N 2.97Å; L274-F341 HydrophobicContact CB-CD2 4.45Å; L274-F341 HydrophobicContact CB-CE1 4.48Å; L274-F341 HydrophobicContact CB-CE2 3.64Å; L274-F341 HydrophobicContact CB-CZ 3.66Å; L274-F341 HydrophobicContact CD1-CD2 4.46Å; L274-F341 HydrophobicContact CD1-CE2 3.86Å; L274-F341 HydrophobicContact CG-CE2 4.42Å
275	S	98.3	Very high	97.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-59.6	-45.9	174.1	-60.3	0	0	0	0	111.5	A271 Q272 N273 C279 W363	A271-S275 WeakPolarHBondContact O-CB 3.25Å; A271-S275 PolarHBondContact O-N 3.21Å; A271-S275 PolarHBondContact O-OG 3.4Å; Q272-S275 WeakPolarHBondContact O-CB 3.28Å; Q272-S275 PolarHBondContact O-N 3.24Å; N273-S275 VanDerWaalsContact C-N 3.29Å; N273-S275 PolarHBondContact O-N 3.21Å; S275-C279 VanDerWaalsContact O-CB 3.26Å; S275-C279 WeakPolarHBondContact O-CB 3.36Å; S275-C279 PolarHBondContact O-N 3.41Å; S275-C279 PolarHBondContact O-SG 2.95Å; S275-W363 PolarHBondContact OG-NE1 3.29Å
276	A	97.9	Very high	97.8	Very high	2 Å²	2	17 Å²	17	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-42.1	174.6	0	0	0	0	0	112.8	Q272 N273 L274 N280 Q281 Y284 A285	Q272-A276 PolarHBondContact O-N 2.92Å; N273-A276 WeakPolarHBondContact O-CB 3.34Å; N273-A276 PolarHBondContact O-N 3.38Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3.14Å; A276-N280 PolarHBondContact O-N 3.43Å; A276-Q281 PolarHBondContact O-N 3.41Å; A276-Y284 HydrophobicContact CB-CD1 3.84Å; A276-Y284 HydrophobicContact CB-CG 4.16Å; A276-A285 HydrophobicContact CB-CB 4.03Å
277	F	98.4	Very high	97.7	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-48.3	-179.7	-178.9	-105.6	0	0	0	112.7	L234 L250 F253 M254 N259 F261 Y264 N273 L274 C279 N280	L234-F277 HydrophobicContact CD2-CD1 4.19Å; L234-F277 HydrophobicContact CD2-CE1 4.06Å; L250-F277 HydrophobicContact CB-CB 4.41Å; L250-F277 HydrophobicContact CB-CD2 3.95Å; L250-F277 HydrophobicContact CB-CG 4.43Å; L250-F277 HydrophobicContact CD1-CB 3.97Å; L250-F277 HydrophobicContact CD1-CG 4.4Å; L250-F277 HydrophobicContact CD2-CD2 4.1Å; L250-F277 HydrophobicContact CD2-CE2 4.45Å; L250-F277 HydrophobicContact CD2-CG 4.21Å; L250-F277 HydrophobicContact CG-CD2 4.46Å; F253-F277 HydrophobicContact CB-CE2 3.65Å; F253-F277 HydrophobicContact CB-CZ 4.19Å; M254-F277 HydrophobicContact CE-CD2 4.32Å; M254-F277 HydrophobicContact CG-CD2 3.52Å; M254-F277 HydrophobicContact CG-CE2 3.67Å; M254-F277 HydrophobicContact SD-CD2 4.11Å; N259-F277 HydrophobicContact CB-CE1 4.4Å; N259-F277 HydrophobicContact CB-CZ 4.02Å; F261-F277 HydrophobicContact CD2-CE1 4.31Å; Y264-F277 HydrophobicContact CD1-CD1 4.49Å; Y264-F277 HydrophobicContact CE1-CD1 4.09Å; Y264-F277 AromaticContact CE1-CE1 3.84Å; Y264-F277 HydrophobicContact CE1-CE1 3.84Å; N273-F277 PolarHBondContact O-N 3.48Å; L274-F277 PolarHBondContact O-N 2.94Å; F277-C279 VanDerWaalsContact C-N 3.35Å; F277-N280 WeakPolarHBondContact O-CA 3.49Å; F277-N280 PolarHBondContact O-N 3.4Å
278	I	97.5	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.7	-31.9	-178.2	-62.1	164.9	0	0	0	110.8	Y264 L274 N280 A331 L334 F335 F341	Y264-I278 HydrophobicContact CD1-CD1 3.98Å; Y264-I278 HydrophobicContact CD1-CG1 4Å; Y264-I278 HydrophobicContact CD2-CD1 3.68Å; Y264-I278 HydrophobicContact CD2-CG1 4.09Å; Y264-I278 HydrophobicContact CE1-CG1 4.14Å; Y264-I278 HydrophobicContact CE2-CD1 4.3Å; Y264-I278 HydrophobicContact CE2-CG1 4.23Å; Y264-I278 HydrophobicContact CG-CD1 3.49Å; Y264-I278 VanDerWaalsContact CG-CD1 3.49Å; Y264-I278 HydrophobicContact CG-CG1 3.97Å; L274-I278 HydrophobicContact CB-CD1 4.33Å; L274-I278 WeakPolarHBondContact O-CB 3.37Å; L274-I278 WeakPolarHBondContact O-CD1 3.48Å; L274-I278 WeakPolarHBondContact O-CG1 3.41Å; L274-I278 PolarHBondContact O-N 2.97Å; I278-N280 PolarHBondContact O-N 2.86Å; I278-A331 HydrophobicContact CG2-CB 3.62Å; I278-L334 HydrophobicContact CB-CD1 4.48Å; I278-L334 HydrophobicContact CG2-CD1 3.74Å; I278-L334 WeakPolarHBondContact O-CD1 3.25Å; I278-F335 HydrophobicContact CG2-CE1 4.04Å; I278-F335 HydrophobicContact CG2-CZ 4.22Å; I278-F341 HydrophobicContact CD1-CB 3.74Å; I278-F341 HydrophobicContact CD1-CD1 3.46Å; I278-F341 VanDerWaalsContact CD1-CD1 3.46Å; I278-F341 HydrophobicContact CD1-CD2 3.84Å; I278-F341 HydrophobicContact CD1-CE1 3.99Å; I278-F341 HydrophobicContact CD1-CE2 4.35Å; I278-F341 HydrophobicContact CD1-CG 3.39Å; I278-F341 HydrophobicContact CD1-CZ 4.42Å
279	C	97.1	Very high	97.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.014	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.7	169.3	-64.1	0	0	0	0	113.1	S275 F277 Q281 L326 Q327	S275-C279 VanDerWaalsContact O-CB 3.26Å; S275-C279 WeakPolarHBondContact O-CB 3.36Å; S275-C279 PolarHBondContact O-N 3.41Å; S275-C279 PolarHBondContact O-SG 2.95Å; F277-C279 VanDerWaalsContact C-N 3.35Å; C279-Q281 HydrophobicContact CB-CG 4.33Å; C279-L326 HydrophobicContact CB-CD2 4.34Å; C279-Q327 HydrophobicContact CB-CB 4.3Å
280	N	96.6	Very high	97.6	Very high	99 Å²	99	21.3 Å²	21.3	53%	0.529	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	53	-178.7	-168.3	41.7	0	0	0	112.9	A276 F277 I278 P282 T330	A276-N280 PolarHBondContact O-N 3.43Å; F277-N280 WeakPolarHBondContact O-CA 3.49Å; F277-N280 PolarHBondContact O-N 3.4Å; I278-N280 PolarHBondContact O-N 2.86Å; N280-P282 WeakPolarHBondContact O-CD 3.47Å; N280-T330 HydrophobicContact CB-CG2 4.05Å
281	Q	96.8	Very high	97.4	Very high	28 Å²	28	28.3 Å²	28.3	13%	0.131	14%	0.139	C	C	.	.			trans	-118.1	85.5	-179.7	-68.5	178.2	-91.1	0	0	111.6	A276 C279 G283 Y284 P325 L326 Q327	A276-Q281 PolarHBondContact O-N 3.41Å; C279-Q281 HydrophobicContact CB-CG 4.33Å; Q281-G283 PolarHBondContact O-N 3.02Å; Q281-Y284 HydrophobicContact CB-CD2 4.31Å; Q281-Y284 HydrophobicContact CB-CG 4.39Å; Q281-Y284 WeakPolarHBondContact O-CB 3.46Å; Q281-Y284 PolarHBondContact O-N 3.2Å; Q281-Y284 VanDerWaalsContact O-N 3.16Å; Q281-P325 PolarHBondContact NE2-O 2.95Å; Q281-L326 VanDerWaalsContact OE1-CA 3.32Å; Q281-Q327 HydrophobicContact CG-CB 4.31Å; Q281-Q327 HydrophobicContact CG-CG 3.99Å
282	P	96.4	Very high	97.3	Very high	71 Å²	71	29 Å²	29	46%	0.461	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	134.5	177.8	-24.9	33.4	0	0	0	112.7	M254 N280 Y284	M254-P282 HydrophobicContact CB-CG 4.14Å; M254-P282 HydrophobicContact CE-CB 4.44Å; M254-P282 HydrophobicContact SD-CG 4.09Å; N280-P282 WeakPolarHBondContact O-CD 3.47Å; P282-Y284 PolarHBondContact O-N 3.33Å
283	G	96.5	Very high	97.1	Very high	17 Å²	17	27.4 Å²	27.4	18%	0.175	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-1.9	178.7	0	0	0	0	0	115.2	D251 Q281 K287	D251-G283 PolarHBondContact OD1-N 3.35Å; D251-G283 WeakPolarHBondContact OD2-CA 3.11Å; D251-G283 PolarHBondContact OD2-N 2.98Å; Q281-G283 PolarHBondContact O-N 3.02Å; G283-K287 WeakPolarHBondContact O-CB 3.26Å; G283-K287 PolarHBondContact O-N 3.37Å
284	Y	98	Very high	96.8	Very high	27 Å²	27	29.9 Å²	29.9	11%	0.106	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-57	178.8	-175.9	-79.9	0	0	0	111.7	A276 Q281 P282 R286 K287 V288 M324 L326	A276-Y284 HydrophobicContact CB-CD1 3.84Å; A276-Y284 HydrophobicContact CB-CG 4.16Å; Q281-Y284 HydrophobicContact CB-CD2 4.31Å; Q281-Y284 HydrophobicContact CB-CG 4.39Å; Q281-Y284 WeakPolarHBondContact O-CB 3.46Å; Q281-Y284 PolarHBondContact O-N 3.2Å; Q281-Y284 VanDerWaalsContact O-N 3.16Å; P282-Y284 PolarHBondContact O-N 3.33Å; Y284-R286 VanDerWaalsContact C-N 3.3Å; Y284-R286 PolarHBondContact O-N 2.85Å; Y284-K287 WeakPolarHBondContact O-CB 3.49Å; Y284-K287 PolarHBondContact O-N 3.2Å; Y284-V288 HydrophobicContact CD1-CG2 3.88Å; Y284-V288 HydrophobicContact CE1-CG2 3.52Å; Y284-V288 WeakPolarHBondContact O-CG2 3.32Å; Y284-V288 PolarHBondContact O-N 3.02Å; Y284-M324 HydrophobicContact CE2-CB 4.05Å; Y284-M324 HydrophobicContact CE2-CG 4.05Å; Y284-M324 WeakPolarHBondContact CE2-O 3.27Å; Y284-M324 HydrophobicContact CE2-SD 4.33Å; Y284-M324 PolarHBondContact OH-O 3.16Å; Y284-L326 HydrophobicContact CD1-CD2 4.07Å; Y284-L326 HydrophobicContact CD2-CD2 4.38Å; Y284-L326 HydrophobicContact CE1-CD2 3.65Å; Y284-L326 HydrophobicContact CE1-CG 4.22Å; Y284-L326 HydrophobicContact CE2-CD2 3.97Å; Y284-L326 HydrophobicContact CE2-CG 4.4Å; Y284-L326 HydrophobicContact CG-CD2 4.44Å
285	A	98	Very high	96.6	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-41	-178.1	0	0	0	0	0	111.5	A247 N273 A276 K287 V288 I289	A247-A285 HydrophobicContact CB-CB 3.88Å; N273-A285 WeakPolarHBondContact OD1-CB 3.33Å; A276-A285 HydrophobicContact CB-CB 4.03Å; A285-K287 VanDerWaalsContact C-N 3.34Å; A285-K287 PolarHBondContact O-N 2.8Å; A285-V288 PolarHBondContact O-N 3.04Å; A285-I289 WeakPolarHBondContact O-CB 3.28Å; A285-I289 VanDerWaalsContact O-CG1 3.27Å; A285-I289 WeakPolarHBondContact O-CG1 3.44Å; A285-I289 PolarHBondContact O-N 3.35Å
286	R	98	Very high	96.3	Very high	47 Å²	47	40 Å²	40	18%	0.177	19%	0.191	C	C	.	.	H	α-helix	trans	-55	-48.5	171.9	-178.4	-162.5	178.5	173.4	-8.3	111.4	I244 Y284 I289 M290 Y494	I244-R286 HydrophobicContact CD1-CB 4.31Å; I244-R286 HydrophobicContact CD1-CG 4.09Å; Y284-R286 VanDerWaalsContact C-N 3.3Å; Y284-R286 PolarHBondContact O-N 2.85Å; R286-I289 PolarHBondContact O-N 2.92Å; R286-M290 HydrophobicContact CG-CG 4.32Å; R286-M290 HydrophobicContact CG-SD 3.66Å; R286-M290 VanDerWaalsContact O-CB 3.29Å; R286-M290 WeakPolarHBondContact O-CB 3.22Å; R286-M290 VanDerWaalsContact O-CG 3.3Å; R286-M290 WeakPolarHBondContact O-CG 3.28Å; R286-M290 PolarHBondContact O-N 3.45Å; R286-Y494 HydrophobicContact CB-CD2 4.16Å; R286-Y494 HydrophobicContact CB-CE2 3.79Å; R286-Y494 VanDerWaalsContact CD-CZ 3.48Å; R286-Y494 HydrophobicContact CG-CD1 4.5Å; R286-Y494 HydrophobicContact CG-CD2 3.92Å; R286-Y494 HydrophobicContact CG-CE1 4.41Å; R286-Y494 HydrophobicContact CG-CE2 3.83Å; R286-Y494 HydrophobicContact CG-CG 4.26Å; R286-Y494 VanDerWaalsContact NH1-CE1 3.32Å
287	K	97.2	Very high	96	Very high	52 Å²	52	44.3 Å²	44.3	23%	0.226	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-44.3	-178.3	-167.6	179.3	-71.4	175.3	0	111.3	G283 Y284 A285 R291 M324	G283-K287 WeakPolarHBondContact O-CB 3.26Å; G283-K287 PolarHBondContact O-N 3.37Å; Y284-K287 WeakPolarHBondContact O-CB 3.49Å; Y284-K287 PolarHBondContact O-N 3.2Å; A285-K287 VanDerWaalsContact C-N 3.34Å; A285-K287 PolarHBondContact O-N 2.8Å; K287-R291 HydrophobicContact CG-CG 4.34Å; K287-R291 WeakPolarHBondContact O-CA 3.1Å; K287-R291 VanDerWaalsContact O-CB 3.24Å; K287-R291 WeakPolarHBondContact O-CB 3.27Å; K287-R291 PolarHBondContact O-N 3.28Å; K287-M324 HydrophobicContact CD-CE 3.26Å; K287-M324 HydrophobicContact CD-SD 4.24Å; K287-M324 HydrophobicContact CG-CE 3.87Å; K287-M324 HydrophobicContact CG-SD 4.48Å
288	V	97.2	Very high	95.8	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-52	175.4	174.3	0	0	0	0	110.6	Y284 A285 Y292 T293 L316 T320 M324	Y284-V288 HydrophobicContact CD1-CG2 3.88Å; Y284-V288 HydrophobicContact CE1-CG2 3.52Å; Y284-V288 WeakPolarHBondContact O-CG2 3.32Å; Y284-V288 PolarHBondContact O-N 3.02Å; A285-V288 PolarHBondContact O-N 3.04Å; V288-Y292 WeakPolarHBondContact O-CA 3.3Å; V288-Y292 WeakPolarHBondContact O-CB 3.35Å; V288-Y292 PolarHBondContact O-N 3.1Å; V288-T293 HydrophobicContact CG1-CG2 4.43Å; V288-T293 PolarHBondContact O-N 3.38Å; V288-L316 HydrophobicContact CG1-CD1 4.08Å; V288-T320 HydrophobicContact CG1-CG2 4.3Å; V288-T320 HydrophobicContact CG2-CG2 3.9Å; V288-M324 HydrophobicContact CG2-SD 3.89Å
289	I	97.1	Very high	95.4	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-49.7	-178.6	-64.6	166	0	0	0	110.6	Q241 I244 A285 R286 T293 L490	Q241-I289 HydrophobicContact CB-CG2 4.28Å; Q241-I289 HydrophobicContact CG-CG2 4.36Å; I244-I289 HydrophobicContact CB-CD1 4.25Å; I244-I289 HydrophobicContact CB-CG2 4.07Å; I244-I289 HydrophobicContact CD1-CB 4.03Å; I244-I289 HydrophobicContact CD1-CD1 4.22Å; I244-I289 HydrophobicContact CD1-CG2 3.99Å; I244-I289 HydrophobicContact CG1-CG2 4.39Å; A285-I289 WeakPolarHBondContact O-CB 3.28Å; A285-I289 VanDerWaalsContact O-CG1 3.27Å; A285-I289 WeakPolarHBondContact O-CG1 3.44Å; A285-I289 PolarHBondContact O-N 3.35Å; R286-I289 PolarHBondContact O-N 2.92Å; I289-T293 WeakPolarHBondContact CA-OG1 3.28Å; I289-T293 PolarHBondContact O-OG1 3Å; I289-L490 HydrophobicContact CG2-CD1 4.26Å; I289-L490 HydrophobicContact CG2-CD2 4.05Å
290	M	95.9	Very high	95	Very high	24 Å²	24	48.2 Å²	48.2	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-75	-28.8	-174.5	-67.2	-176.5	73.6	0	0	114.5	I244 R286 T294 V487 L490 R491	I244-M290 HydrophobicContact CD1-CG 4.05Å; R286-M290 HydrophobicContact CG-CG 4.32Å; R286-M290 HydrophobicContact CG-SD 3.66Å; R286-M290 VanDerWaalsContact O-CB 3.29Å; R286-M290 WeakPolarHBondContact O-CB 3.22Å; R286-M290 VanDerWaalsContact O-CG 3.3Å; R286-M290 WeakPolarHBondContact O-CG 3.28Å; R286-M290 PolarHBondContact O-N 3.45Å; M290-T294 PolarHBondContact O-OG1 2.79Å; M290-V487 HydrophobicContact CE-CG1 3.76Å; M290-L490 HydrophobicContact CG-CB 4.28Å; M290-L490 HydrophobicContact CG-CD1 4.5Å; M290-R491 HydrophobicContact CE-CB 4.19Å
291	R	94.8	Very high	94.5	Very high	147 Å²	147	46.7 Å²	46.7	56%	0.555	22%	0.224	S	C	*	.	H	α-helix	trans	-114	-22.1	-171.8	-58.1	-169.1	179.8	-178.2	-1	115.4	K287 K295	K287-R291 HydrophobicContact CG-CG 4.34Å; K287-R291 WeakPolarHBondContact O-CA 3.1Å; K287-R291 VanDerWaalsContact O-CB 3.24Å; K287-R291 WeakPolarHBondContact O-CB 3.27Å; K287-R291 PolarHBondContact O-N 3.28Å; R291-K295 VanDerWaalsContact O-CD 3.28Å; R291-K295 WeakPolarHBondContact O-CD 3.4Å; R291-K295 VanDerWaalsContact O-CE 3.29Å; R291-K295 WeakPolarHBondContact O-CE 3.31Å; R291-K295 VanDerWaalsContact O-CG 3.31Å; R291-K295 WeakPolarHBondContact O-CG 3.38Å
292	Y	95.8	Very high	94	Very high	14 Å²	14	49.4 Å²	49.4	6%	0.055	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-46.2	-179.7	-67.3	-103.8	0	0	0	110.8	V288 T294 K295 F298 W315 L316 A319 T320 Q323 M324	V288-Y292 WeakPolarHBondContact O-CA 3.3Å; V288-Y292 WeakPolarHBondContact O-CB 3.35Å; V288-Y292 PolarHBondContact O-N 3.1Å; Y292-T294 PolarHBondContact O-N 2.81Å; Y292-K295 WeakPolarHBondContact O-CB 3.37Å; Y292-K295 PolarHBondContact O-N 3.01Å; Y292-K295 VanDerWaalsContact O-N 3.17Å; Y292-F298 VanDerWaalsContact O-CB 3.28Å; Y292-F298 WeakPolarHBondContact O-CB 3.49Å; Y292-W315 AromaticContact CD1-CH2 3.87Å; Y292-W315 HydrophobicContact CD1-CH2 3.87Å; Y292-W315 HydrophobicContact CD1-CZ3 4.26Å; Y292-L316 HydrophobicContact CG-CD1 4.45Å; Y292-A319 HydrophobicContact CD1-CB 4.02Å; Y292-A319 HydrophobicContact CE1-CB 3.92Å; Y292-T320 HydrophobicContact CD1-CG2 4.11Å; Y292-T320 HydrophobicContact CE1-CG2 4.34Å; Y292-T320 HydrophobicContact CG-CG2 4.26Å; Y292-Q323 PolarHBondContact OH-OE1 3.44Å; Y292-M324 HydrophobicContact CD2-SD 4.42Å; Y292-M324 HydrophobicContact CE2-CE 3.48Å; Y292-M324 VanDerWaalsContact CE2-CE 3.48Å; Y292-M324 HydrophobicContact CE2-SD 3.69Å; Y292-M324 WeakPolarHBondContact OH-CE 3.2Å
293	T	94.9	Very high	93.5	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.055	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.2	-178.8	78.4	0	0	0	0	114.1	Q241 V288 I289 F298 L316	Q241-T293 WeakPolarHBondContact CG-OG1 3.47Å; Q241-T293 PolarHBondContact NE2-O 2.8Å; Q241-T293 PolarHBondContact NE2-OG1 2.85Å; V288-T293 HydrophobicContact CG1-CG2 4.43Å; V288-T293 PolarHBondContact O-N 3.38Å; I289-T293 WeakPolarHBondContact CA-OG1 3.28Å; I289-T293 PolarHBondContact O-OG1 3Å; T293-F298 HydrophobicContact CG2-CD1 4.47Å; T293-F298 HydrophobicContact CG2-CE1 4.21Å; T293-F298 HydrophobicContact CG2-CZ 4.38Å; T293-F298 WeakPolarHBondContact O-CD1 3.19Å; T293-L316 HydrophobicContact CG2-CD1 4.32Å; T293-L316 HydrophobicContact CG2-CD2 4.45Å
294	T	92.9	Very high	92.9	Very high	55 Å²	55	51.3 Å²	51.3	34%	0.337	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.3	174.7	55	0	0	0	0	112.7	M290 Y292 V487 L490	M290-T294 PolarHBondContact O-OG1 2.79Å; Y292-T294 PolarHBondContact O-N 2.81Å; T294-V487 HydrophobicContact CG2-CG2 4.34Å; T294-L490 HydrophobicContact CG2-CD1 3.67Å
295	K	93.7	Very high	92.1	Very high	78 Å²	78	55.9 Å²	55.9	34%	0.339	26%	0.264	S	S	.	.	S	Bend	trans	-77.5	151.8	176.8	-82.2	179.1	175	-170.6	0	111.2	R291 Y292 E297 F298 F299 W315	R291-K295 VanDerWaalsContact O-CD 3.28Å; R291-K295 WeakPolarHBondContact O-CD 3.4Å; R291-K295 VanDerWaalsContact O-CE 3.29Å; R291-K295 WeakPolarHBondContact O-CE 3.31Å; R291-K295 VanDerWaalsContact O-CG 3.31Å; R291-K295 WeakPolarHBondContact O-CG 3.38Å; Y292-K295 WeakPolarHBondContact O-CB 3.37Å; Y292-K295 PolarHBondContact O-N 3.01Å; Y292-K295 VanDerWaalsContact O-N 3.17Å; K295-E297 VanDerWaalsContact C-N 3.28Å; K295-E297 WeakPolarHBondContact CB-OE2 3.18Å; K295-E297 PolarHBondContact O-N 3.08Å; K295-F298 PolarHBondContact O-N 2.83Å; K295-F299 PolarHBondContact O-N 2.79Å; K295-W315 HydrophobicContact CB-CH2 4.11Å; K295-W315 HydrophobicContact CD-CH2 3.76Å; K295-W315 HydrophobicContact CD-CZ2 4.16Å
296	R	91.2	Very high	91.6	Very high	136 Å²	136	65.4 Å²	65.4	51%	0.513	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.6	178.8	-176.6	176.3	164.7	144.7	1.9	111.2	F298 F299 D300	R296-F298 PolarHBondContact O-N 3.34Å; R296-F299 WeakPolarHBondContact CA-O 3.24Å; R296-F299 CarbonylContact O-C 3.5Å; R296-F299 PolarHBondContact O-N 2.82Å; R296-D300 HydrophobicContact CG-CB 4.19Å; R296-D300 IonicContact CZ-OD1 3.66Å; R296-D300 IonicContact CZ-OD2 3.6Å; R296-D300 IonicContact NE-OD1 3.52Å; R296-D300 IonicContact NE-OD2 3.63Å; R296-D300 PolarHBondContact NE-OD2 3.4Å; R296-D300 IonicContact NH2-OD1 2.72Å; R296-D300 PolarHBondContact NH2-OD1 2.71Å; R296-D300 IonicContact NH2-OD2 2.94Å; R296-D300 PolarHBondContact NH2-OD2 3.13Å; R296-D300 VanDerWaalsContact NH2-OD2 3.08Å; R296-D300 VanDerWaalsContact O-CB 3.32Å; R296-D300 WeakPolarHBondContact O-CB 3.27Å; R296-D300 PolarHBondContact O-N 2.82Å
297	E	92.8	Very high	90.7	Very high	92 Å²	92	65.1 Å²	65.1	43%	0.43	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-39.4	176.8	-60.2	93.7	128.7	0	0	111.5	K295 R303 D312 W315	K295-E297 VanDerWaalsContact C-N 3.28Å; K295-E297 WeakPolarHBondContact CB-OE2 3.18Å; K295-E297 PolarHBondContact O-N 3.08Å; E297-R303 PolarHBondContact O-NH1 3.5Å; E297-R303 PolarHBondContact O-NH2 3.16Å; E297-D312 WeakPolarHBondContact O-CB 3.42Å; E297-W315 HydrophobicContact CB-CD2 3.67Å; E297-W315 HydrophobicContact CB-CE3 4.18Å; E297-W315 HydrophobicContact CB-CG 4.17Å; E297-W315 HydrophobicContact CB-CH2 4.12Å; E297-W315 HydrophobicContact CB-CZ2 3.57Å; E297-W315 HydrophobicContact CB-CZ3 4.41Å; E297-W315 HydrophobicContact CG-CZ2 4.14Å
298	F	92.8	Very high	90	Very high	12 Å²	12	63.8 Å²	63.8	5%	0.053	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-57	170.4	178.2	-107.1	0	0	0	111.5	Y292 T293 K295 R296 R303 I311 D312 L313 W315 L316 L483	Y292-F298 VanDerWaalsContact O-CB 3.28Å; Y292-F298 WeakPolarHBondContact O-CB 3.49Å; T293-F298 HydrophobicContact CG2-CD1 4.47Å; T293-F298 HydrophobicContact CG2-CE1 4.21Å; T293-F298 HydrophobicContact CG2-CZ 4.38Å; T293-F298 WeakPolarHBondContact O-CD1 3.19Å; K295-F298 PolarHBondContact O-N 2.83Å; R296-F298 PolarHBondContact O-N 3.34Å; F298-R303 PolarHBondContact O-NH2 2.79Å; F298-I311 HydrophobicContact CE1-CB 4.41Å; F298-I311 HydrophobicContact CE1-CG2 4.07Å; F298-I311 HydrophobicContact CE2-CB 4.11Å; F298-I311 HydrophobicContact CZ-CB 3.95Å; F298-I311 HydrophobicContact CZ-CG2 4Å; F298-I311 CarbonylContact O-C 3.54Å; F298-I311 VanDerWaalsContact O-CA 3.22Å; F298-I311 WeakPolarHBondContact O-CA 3.38Å; F298-D312 WeakPolarHBondContact CD2-O 3.4Å; F298-D312 PolarHBondContact O-N 2.81Å; F298-L313 HydrophobicContact CE2-CD2 4.25Å; F298-W315 HydrophobicContact CB-CE3 3.87Å; F298-W315 HydrophobicContact CB-CZ3 3.7Å; F298-L316 HydrophobicContact CD2-CB 3.94Å; F298-L316 HydrophobicContact CD2-CD1 4.42Å; F298-L316 HydrophobicContact CD2-CD2 4.16Å; F298-L316 HydrophobicContact CD2-CG 4.4Å; F298-L316 HydrophobicContact CE2-CB 4.22Å; F298-L316 HydrophobicContact CE2-CD2 3.75Å; F298-L316 HydrophobicContact CE2-CG 4.46Å; F298-L316 HydrophobicContact CZ-CD2 4.49Å; F298-L483 HydrophobicContact CE1-CD2 4.18Å
299	F	89.5	Confident	89.5	Confident	55 Å²	55	64.6 Å²	64.6	24%	0.241	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-112.8	99.3	-173.7	-177.6	-96.8	0	0	0	111	K295 R296 P301 L310 I311 L483	K295-F299 PolarHBondContact O-N 2.79Å; R296-F299 WeakPolarHBondContact CA-O 3.24Å; R296-F299 CarbonylContact O-C 3.5Å; R296-F299 PolarHBondContact O-N 2.82Å; F299-P301 HydrophobicContact CD1-CG 4.36Å; F299-P301 HydrophobicContact CE1-CG 3.81Å; F299-P301 HydrophobicContact CZ-CG 4.3Å; F299-L310 WeakPolarHBondContact CA-O 3.44Å; F299-L310 HydrophobicContact CD2-CD1 4.32Å; F299-L310 HydrophobicContact CD2-CD2 4.39Å; F299-L310 HydrophobicContact CD2-CG 4.03Å; F299-L310 HydrophobicContact CE2-CD1 3.97Å; F299-L310 HydrophobicContact CE2-CD2 3.64Å; F299-L310 HydrophobicContact CE2-CG 3.73Å; F299-L310 HydrophobicContact CZ-CD1 4.24Å; F299-L310 HydrophobicContact CZ-CD2 4.27Å; F299-L310 HydrophobicContact CZ-CG 4.44Å; F299-I311 HydrophobicContact CD2-CG2 4.19Å; F299-L483 HydrophobicContact CD2-CB 4.28Å; F299-L483 HydrophobicContact CE2-CB 3.9Å; F299-L483 HydrophobicContact CE2-CD1 4.37Å
300	D	89.2	Confident	88.9	Confident	22 Å²	22	65.1 Å²	65.1	12%	0.118	32%	0.318	C	S	.	.			trans	-124.9	99.1	-179.2	-163.6	-22.5	0	0	0	112.3	R296 L302 R303 F304 L310	R296-D300 HydrophobicContact CG-CB 4.19Å; R296-D300 IonicContact CZ-OD1 3.66Å; R296-D300 IonicContact CZ-OD2 3.6Å; R296-D300 IonicContact NE-OD1 3.52Å; R296-D300 IonicContact NE-OD2 3.63Å; R296-D300 PolarHBondContact NE-OD2 3.4Å; R296-D300 IonicContact NH2-OD1 2.72Å; R296-D300 PolarHBondContact NH2-OD1 2.71Å; R296-D300 IonicContact NH2-OD2 2.94Å; R296-D300 PolarHBondContact NH2-OD2 3.13Å; R296-D300 VanDerWaalsContact NH2-OD2 3.08Å; R296-D300 VanDerWaalsContact O-CB 3.32Å; R296-D300 WeakPolarHBondContact O-CB 3.27Å; R296-D300 PolarHBondContact O-N 2.82Å; D300-L302 PolarHBondContact O-N 3.16Å; D300-L302 WeakPolarHBondContact OD1-CA 3.36Å; D300-L302 VanDerWaalsContact OD1-CB 3.24Å; D300-L302 WeakPolarHBondContact OD1-CB 3.23Å; D300-L302 PolarHBondContact OD1-N 3.36Å; D300-R303 HydrophobicContact CB-CB 3.69Å; D300-R303 WeakPolarHBondContact O-CB 3.27Å; D300-R303 PolarHBondContact O-N 3.39Å; D300-R303 PolarHBondContact OD1-N 3.06Å; D300-F304 PolarHBondContact O-N 2.94Å; D300-F304 VanDerWaalsContact O-N 3.14Å; D300-L310 PolarHBondContact N-O 2.89Å
301	P	85.1	Confident	88.7	Confident	67 Å²	67	64.1 Å²	64.1	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-57.8	-30.5	171.5	-26.1	35.4	0	0	0	114.2	F299 F304 V305 L310	F299-P301 HydrophobicContact CD1-CG 4.36Å; F299-P301 HydrophobicContact CE1-CG 3.81Å; F299-P301 HydrophobicContact CZ-CG 4.3Å; P301-F304 WeakPolarHBondContact O-CB 3.46Å; P301-F304 PolarHBondContact O-N 2.65Å; P301-V305 WeakPolarHBondContact O-CG2 3.04Å; P301-V305 PolarHBondContact O-N 3.47Å; P301-L310 HydrophobicContact CB-CD1 4.27Å; P301-L310 HydrophobicContact CG-CD1 4.13Å
302	L	86.8	Confident	88.6	Confident	85 Å²	85	58.7 Å²	58.7	45%	0.445	30%	0.295	S	S	.	.	H	α-helix	trans	-74.5	-33.8	177.6	-67.3	165.9	0	0	0	111.7	D300 F304 R306	D300-L302 PolarHBondContact O-N 3.16Å; D300-L302 WeakPolarHBondContact OD1-CA 3.36Å; D300-L302 VanDerWaalsContact OD1-CB 3.24Å; D300-L302 WeakPolarHBondContact OD1-CB 3.23Å; D300-L302 PolarHBondContact OD1-N 3.36Å; L302-F304 VanDerWaalsContact C-N 3.29Å; L302-R306 VanDerWaalsContact O-CG 3.31Å; L302-R306 WeakPolarHBondContact O-CG 3.44Å; L302-R306 PolarHBondContact O-N 3.08Å
303	R	86.6	Confident	88.5	Confident	55 Å²	55	58.3 Å²	58.3	21%	0.208	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-40.7	169.6	-176.3	173.8	58.8	-144.3	-16.4	110.5	E297 F298 D300 R306 G307 G308 N309 L310 D312	E297-R303 PolarHBondContact O-NH1 3.5Å; E297-R303 PolarHBondContact O-NH2 3.16Å; F298-R303 PolarHBondContact O-NH2 2.79Å; D300-R303 HydrophobicContact CB-CB 3.69Å; D300-R303 WeakPolarHBondContact O-CB 3.27Å; D300-R303 PolarHBondContact O-N 3.39Å; D300-R303 PolarHBondContact OD1-N 3.06Å; R303-R306 PolarHBondContact O-N 3.35Å; R303-G307 PolarHBondContact O-N 3.1Å; R303-G308 WeakPolarHBondContact O-CA 3.43Å; R303-G308 PolarHBondContact O-N 3.27Å; R303-N309 PolarHBondContact NE-O 2.96Å; R303-L310 PolarHBondContact NH2-O 3.14Å; R303-D312 IonicContact CZ-OD2 3.39Å; R303-D312 VanDerWaalsContact NH1-CB 3.33Å; R303-D312 IonicContact NH1-OD2 2.65Å; R303-D312 PolarHBondContact NH1-OD2 3.4Å
304	F	83	Confident	88.4	Confident	73 Å²	73	60.1 Å²	60.1	32%	0.32	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-45.5	178	-175.5	-110.9	0	0	0	113.2	D300 P301 L302 R306 G307 G308 L310 G375 R378	D300-F304 PolarHBondContact O-N 2.94Å; D300-F304 VanDerWaalsContact O-N 3.14Å; P301-F304 WeakPolarHBondContact O-CB 3.46Å; P301-F304 PolarHBondContact O-N 2.65Å; L302-F304 VanDerWaalsContact C-N 3.29Å; F304-R306 PolarHBondContact O-N 3.42Å; F304-G307 PolarHBondContact O-N 2.58Å; F304-G308 WeakPolarHBondContact CD2-O 3.32Å; F304-L310 HydrophobicContact CB-CB 4.04Å; F304-L310 HydrophobicContact CB-CD1 3.89Å; F304-L310 HydrophobicContact CD2-CB 3.88Å; F304-L310 HydrophobicContact CG-CB 4.05Å; F304-L310 HydrophobicContact CG-CD1 4.38Å; F304-G375 WeakPolarHBondContact CE2-O 3.45Å; F304-R378 VanDerWaalsContact CE2-NH2 3.33Å; F304-R378 PolarHBondContact O-NH2 3.18Å
305	V	82.4	Confident	88.5	Confident	123 Å²	123	60.1 Å²	60.1	75%	0.745	30%	0.297	S	S	*	.	H	α-helix	trans	-62.1	-30.7	176.3	171.9	0	0	0	0	111.9	P301 G307	P301-V305 WeakPolarHBondContact O-CG2 3.04Å; P301-V305 PolarHBondContact O-N 3.47Å; V305-G307 PolarHBondContact O-N 3.05Å
306	R	86.5	Confident	88.5	Confident	208 Å²	208	56.7 Å²	56.7	79%	0.785	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	8.3	174.7	-67.6	172.6	-178.4	170.5	-0.2	113.9	L302 R303 F304	L302-R306 VanDerWaalsContact O-CG 3.31Å; L302-R306 WeakPolarHBondContact O-CG 3.44Å; L302-R306 PolarHBondContact O-N 3.08Å; R303-R306 PolarHBondContact O-N 3.35Å; F304-R306 PolarHBondContact O-N 3.42Å
307	G	79.2	Confident	88.7	Confident	41 Å²	41	51 Å²	51	42%	0.423	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	2.3	177.8	0	0	0	0	0	115.3	R303 F304 V305 R378	R303-G307 PolarHBondContact O-N 3.1Å; F304-G307 PolarHBondContact O-N 2.58Å; V305-G307 PolarHBondContact O-N 3.05Å; G307-R378 PolarHBondContact O-NH1 3.17Å; G307-R378 VanDerWaalsContact O-NH1 3.08Å
308	G	82.6	Confident	88.8	Confident	24 Å²	24	52.9 Å²	52.9	25%	0.247	27%	0.271	C	S	.	.	S	Bend	trans	-84.6	-174	175.5	0	0	0	0	0	113.8	R303 F304 R378	R303-G308 WeakPolarHBondContact O-CA 3.43Å; R303-G308 PolarHBondContact O-N 3.27Å; F304-G308 WeakPolarHBondContact CD2-O 3.32Å; G308-R378 PolarHBondContact O-NE 3.39Å
309	N	86.2	Confident	88.9	Confident	31 Å²	31	52.6 Å²	52.6	17%	0.166	27%	0.272	C	S	.	.			trans	-74	142.1	174.7	-63.1	-35.8	0	0	0	110.8	R303 I311 F376 Y377 R378	R303-N309 PolarHBondContact NE-O 2.96Å; N309-I311 WeakPolarHBondContact CB-O 3.15Å; N309-F376 CarbonylContact C-O 3.24Å; N309-F376 WeakPolarHBondContact CB-O 3.46Å; N309-Y377 HydrophobicContact CB-CD2 4.2Å; N309-R378 PolarHBondContact OD1-N 3.36Å
310	L	85.3	Confident	89.2	Confident	17 Å²	17	50.5 Å²	50.5	9%	0.089	26%	0.263	C	S	.	.	S	Bend	trans	-70.8	-46.9	171.9	-179.6	63.1	0	0	0	110.2	F299 D300 P301 R303 F304 F376	F299-L310 WeakPolarHBondContact CA-O 3.44Å; F299-L310 HydrophobicContact CD2-CD1 4.32Å; F299-L310 HydrophobicContact CD2-CD2 4.39Å; F299-L310 HydrophobicContact CD2-CG 4.03Å; F299-L310 HydrophobicContact CE2-CD1 3.97Å; F299-L310 HydrophobicContact CE2-CD2 3.64Å; F299-L310 HydrophobicContact CE2-CG 3.73Å; F299-L310 HydrophobicContact CZ-CD1 4.24Å; F299-L310 HydrophobicContact CZ-CD2 4.27Å; F299-L310 HydrophobicContact CZ-CG 4.44Å; D300-L310 PolarHBondContact N-O 2.89Å; P301-L310 HydrophobicContact CB-CD1 4.27Å; P301-L310 HydrophobicContact CG-CD1 4.13Å; R303-L310 PolarHBondContact NH2-O 3.14Å; F304-L310 HydrophobicContact CB-CB 4.04Å; F304-L310 HydrophobicContact CB-CD1 3.89Å; F304-L310 HydrophobicContact CD2-CB 3.88Å; F304-L310 HydrophobicContact CG-CB 4.05Å; F304-L310 HydrophobicContact CG-CD1 4.38Å; L310-F376 HydrophobicContact CB-CB 4.11Å; L310-F376 HydrophobicContact CB-CD1 3.93Å; L310-F376 HydrophobicContact CB-CG 4.43Å; L310-F376 HydrophobicContact CD2-CD1 3.23Å; L310-F376 HydrophobicContact CD2-CE1 3.55Å; L310-F376 HydrophobicContact CD2-CG 4.04Å; L310-F376 HydrophobicContact CG-CD1 4.17Å; L310-F376 PolarHBondContact N-O 2.97Å
311	I	90.4	Very high	89.4	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-100.9	140.9	173.7	63.2	177.3	0	0	0	110.2	F298 F299 N309 L313 I373 F376 Y377 L483	F298-I311 HydrophobicContact CE1-CB 4.41Å; F298-I311 HydrophobicContact CE1-CG2 4.07Å; F298-I311 HydrophobicContact CE2-CB 4.11Å; F298-I311 HydrophobicContact CZ-CB 3.95Å; F298-I311 HydrophobicContact CZ-CG2 4Å; F298-I311 CarbonylContact O-C 3.54Å; F298-I311 VanDerWaalsContact O-CA 3.22Å; F298-I311 WeakPolarHBondContact O-CA 3.38Å; F299-I311 HydrophobicContact CD2-CG2 4.19Å; N309-I311 WeakPolarHBondContact CB-O 3.15Å; I311-L313 HydrophobicContact CD1-CD2 4.37Å; I311-L313 HydrophobicContact CD1-CG 4.36Å; I311-I373 HydrophobicContact CD1-CB 4.31Å; I311-I373 HydrophobicContact CD1-CD1 4.2Å; I311-I373 HydrophobicContact CD1-CG1 4.33Å; I311-F376 HydrophobicContact CD1-CB 4.16Å; I311-F376 HydrophobicContact CG1-CB 3.96Å; I311-F376 HydrophobicContact CG2-CB 4.47Å; I311-F376 PolarHBondContact N-O 3.36Å; I311-F376 VanDerWaalsContact N-O 3.11Å; I311-Y377 WeakPolarHBondContact O-CD2 3.46Å; I311-L483 HydrophobicContact CG2-CD1 3.76Å; I311-L483 HydrophobicContact CG2-CD2 3.7Å; I311-L483 HydrophobicContact CG2-CG 4.39Å
312	D	93	Very high	89.9	Confident	33 Å²	33	52.4 Å²	52.4	18%	0.176	28%	0.283	C	S	.	.			trans	-112.1	91.5	179.4	-154.4	-40.4	0	0	0	110.6	E297 F298 R303 D314 W315 L316	E297-D312 WeakPolarHBondContact O-CB 3.42Å; F298-D312 WeakPolarHBondContact CD2-O 3.4Å; F298-D312 PolarHBondContact O-N 2.81Å; R303-D312 IonicContact CZ-OD2 3.39Å; R303-D312 VanDerWaalsContact NH1-CB 3.33Å; R303-D312 IonicContact NH1-OD2 2.65Å; R303-D312 PolarHBondContact NH1-OD2 3.4Å; D312-D314 VanDerWaalsContact C-N 3.33Å; D312-D314 PolarHBondContact OD1-N 2.91Å; D312-W315 HydrophobicContact CB-CB 3.86Å; D312-W315 VanDerWaalsContact CG-CB 3.48Å; D312-W315 WeakPolarHBondContact OD1-CB 3.33Å; D312-W315 PolarHBondContact OD1-N 2.94Å; D312-L316 WeakPolarHBondContact O-CB 3.43Å; D312-L316 PolarHBondContact O-N 3.08Å; D312-L316 VanDerWaalsContact O-N 3.08Å
313	L	93.4	Very high	90.3	Very high	6 Å²	6	54 Å²	54	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-30.9	179.5	-64.6	173.4	0	0	0	111.7	F298 I311 L316 V317 R368 S371 A372 Y377	F298-L313 HydrophobicContact CE2-CD2 4.25Å; I311-L313 HydrophobicContact CD1-CD2 4.37Å; I311-L313 HydrophobicContact CD1-CG 4.36Å; L313-L316 PolarHBondContact O-N 2.72Å; L313-V317 WeakPolarHBondContact O-CB 3.36Å; L313-V317 WeakPolarHBondContact O-CG2 3.25Å; L313-V317 PolarHBondContact O-N 2.83Å; L313-R368 HydrophobicContact CB-CG 4.27Å; L313-S371 WeakPolarHBondContact CD1-O 3.35Å; L313-A372 HydrophobicContact CD1-CB 4.23Å; L313-Y377 HydrophobicContact CB-CD2 4.16Å; L313-Y377 HydrophobicContact CB-CE2 3.89Å; L313-Y377 HydrophobicContact CD1-CD1 3.97Å; L313-Y377 HydrophobicContact CD1-CD2 3.97Å; L313-Y377 HydrophobicContact CD1-CE1 4.29Å; L313-Y377 HydrophobicContact CD1-CE2 4.31Å; L313-Y377 HydrophobicContact CD1-CG 3.79Å; L313-Y377 HydrophobicContact CG-CD2 4.01Å; L313-Y377 HydrophobicContact CG-CE2 4.25Å; L313-Y377 HydrophobicContact CG-CG 4.32Å
314	D	93.5	Very high	90.7	Very high	48 Å²	48	52.8 Å²	52.8	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-53.2	176.5	-62.2	-34.4	0	0	0	109.7	D312 L316 V317 E318 R368 Y377	D312-D314 VanDerWaalsContact C-N 3.33Å; D312-D314 PolarHBondContact OD1-N 2.91Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 3.29Å; D314-V317 PolarHBondContact O-N 3.42Å; D314-E318 WeakPolarHBondContact O-CB 3.33Å; D314-E318 VanDerWaalsContact O-CG 3.32Å; D314-E318 WeakPolarHBondContact O-CG 3.11Å; D314-E318 PolarHBondContact O-N 3.49Å; D314-R368 WeakPolarHBondContact OD1-CD 3.14Å; D314-R368 IonicContact OD1-CZ 2.81Å; D314-R368 IonicContact OD1-NE 3.31Å; D314-R368 IonicContact OD1-NH1 3.01Å; D314-R368 PolarHBondContact OD1-NH1 3.31Å; D314-Y377 VanDerWaalsContact CG-OH 3.31Å; D314-Y377 PolarHBondContact OD1-OH 3.47Å; D314-Y377 VanDerWaalsContact OD1-OH 3.06Å; D314-Y377 PolarHBondContact OD2-OH 2.9Å; D314-Y377 VanDerWaalsContact OD2-OH 3.05Å
315	W	94.9	Very high	91.3	Very high	55 Å²	55	52.5 Å²	52.5	21%	0.208	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-43.4	175	176.7	86.2	0	0	0	112.1	Y292 K295 E297 F298 D312 V317 E318 A319	Y292-W315 AromaticContact CD1-CH2 3.87Å; Y292-W315 HydrophobicContact CD1-CH2 3.87Å; Y292-W315 HydrophobicContact CD1-CZ3 4.26Å; K295-W315 HydrophobicContact CB-CH2 4.11Å; K295-W315 HydrophobicContact CD-CH2 3.76Å; K295-W315 HydrophobicContact CD-CZ2 4.16Å; E297-W315 HydrophobicContact CB-CD2 3.67Å; E297-W315 HydrophobicContact CB-CE3 4.18Å; E297-W315 HydrophobicContact CB-CG 4.17Å; E297-W315 HydrophobicContact CB-CH2 4.12Å; E297-W315 HydrophobicContact CB-CZ2 3.57Å; E297-W315 HydrophobicContact CB-CZ3 4.41Å; E297-W315 HydrophobicContact CG-CZ2 4.14Å; F298-W315 HydrophobicContact CB-CE3 3.87Å; F298-W315 HydrophobicContact CB-CZ3 3.7Å; D312-W315 HydrophobicContact CB-CB 3.86Å; D312-W315 VanDerWaalsContact CG-CB 3.48Å; D312-W315 WeakPolarHBondContact OD1-CB 3.33Å; D312-W315 PolarHBondContact OD1-N 2.94Å; W315-V317 VanDerWaalsContact C-N 3.34Å; W315-V317 PolarHBondContact O-N 3.26Å; W315-E318 PolarHBondContact O-N 3.18Å; W315-A319 HydrophobicContact CD2-CB 4.37Å; W315-A319 HydrophobicContact CH2-CB 4.42Å; W315-A319 HydrophobicContact CZ2-CB 4.12Å; W315-A319 WeakPolarHBondContact O-CB 3.38Å; W315-A319 PolarHBondContact O-N 3.27Å
316	L	95.1	Very high	91.9	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-47	-179.6	-179.9	64.7	0	0	0	111.2	V288 Y292 T293 F298 D312 L313 D314 T320	V288-L316 HydrophobicContact CG1-CD1 4.08Å; Y292-L316 HydrophobicContact CG-CD1 4.45Å; T293-L316 HydrophobicContact CG2-CD1 4.32Å; T293-L316 HydrophobicContact CG2-CD2 4.45Å; F298-L316 HydrophobicContact CD2-CB 3.94Å; F298-L316 HydrophobicContact CD2-CD1 4.42Å; F298-L316 HydrophobicContact CD2-CD2 4.16Å; F298-L316 HydrophobicContact CD2-CG 4.4Å; F298-L316 HydrophobicContact CE2-CB 4.22Å; F298-L316 HydrophobicContact CE2-CD2 3.75Å; F298-L316 HydrophobicContact CE2-CG 4.46Å; F298-L316 HydrophobicContact CZ-CD2 4.49Å; D312-L316 WeakPolarHBondContact O-CB 3.43Å; D312-L316 PolarHBondContact O-N 3.08Å; D312-L316 VanDerWaalsContact O-N 3.08Å; L313-L316 PolarHBondContact O-N 2.72Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 3.29Å; L316-T320 HydrophobicContact CD1-CG2 4.28Å; L316-T320 WeakPolarHBondContact O-CB 3.47Å; L316-T320 VanDerWaalsContact O-CG2 3.27Å; L316-T320 WeakPolarHBondContact O-CG2 3.32Å; L316-T320 PolarHBondContact O-N 2.95Å; L316-T320 PolarHBondContact O-OG1 3.43Å
317	V	94	Very high	92.3	Very high	16 Å²	16	42.5 Å²	42.5	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-43.5	-178.3	164.5	0	0	0	0	111.3	L313 D314 W315 T320 A321 L364 R368	L313-V317 WeakPolarHBondContact O-CB 3.36Å; L313-V317 WeakPolarHBondContact O-CG2 3.25Å; L313-V317 PolarHBondContact O-N 2.83Å; D314-V317 PolarHBondContact O-N 3.42Å; W315-V317 VanDerWaalsContact C-N 3.34Å; W315-V317 PolarHBondContact O-N 3.26Å; V317-T320 PolarHBondContact O-OG1 3.31Å; V317-A321 WeakPolarHBondContact O-CB 3.47Å; V317-A321 PolarHBondContact O-N 2.96Å; V317-L364 HydrophobicContact CG1-CB 3.6Å; V317-L364 HydrophobicContact CG1-CD1 3.78Å; V317-L364 HydrophobicContact CG1-CD2 4.16Å; V317-L364 HydrophobicContact CG1-CG 4.02Å; V317-R368 HydrophobicContact CB-CG 4.4Å; V317-R368 HydrophobicContact CG2-CG 3.69Å
318	E	95.3	Very high	93.1	Very high	131 Å²	131	41.8 Å²	41.8	61%	0.612	23%	0.231	S	C	*	.	H	α-helix	trans	-64.3	-45.2	176.5	-71.9	175.1	-173.5	0	0	112	D314 W315 T320 S322	D314-E318 WeakPolarHBondContact O-CB 3.33Å; D314-E318 VanDerWaalsContact O-CG 3.32Å; D314-E318 WeakPolarHBondContact O-CG 3.11Å; D314-E318 PolarHBondContact O-N 3.49Å; W315-E318 PolarHBondContact O-N 3.18Å; E318-T320 PolarHBondContact O-N 3.26Å; E318-S322 WeakPolarHBondContact O-CB 3.29Å; E318-S322 PolarHBondContact O-N 3.16Å; E318-S322 PolarHBondContact O-OG 2.91Å
319	A	95.6	Very high	93.7	Very high	7 Å²	7	45.1 Å²	45.1	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-39.6	-179.9	0	0	0	0	0	111.8	Y292 W315 S322 Q323	Y292-A319 HydrophobicContact CD1-CB 4.02Å; Y292-A319 HydrophobicContact CE1-CB 3.92Å; W315-A319 HydrophobicContact CD2-CB 4.37Å; W315-A319 HydrophobicContact CH2-CB 4.42Å; W315-A319 HydrophobicContact CZ2-CB 4.12Å; W315-A319 WeakPolarHBondContact O-CB 3.38Å; W315-A319 PolarHBondContact O-N 3.27Å; A319-S322 PolarHBondContact O-OG 2.93Å; A319-S322 VanDerWaalsContact O-OG 3.12Å; A319-Q323 VanDerWaalsContact O-CB 3.3Å; A319-Q323 WeakPolarHBondContact O-CB 3.43Å; A319-Q323 WeakPolarHBondContact O-CG 3.32Å; A319-Q323 PolarHBondContact O-N 2.96Å; A319-Q323 VanDerWaalsContact O-N 3.08Å
320	T	94.3	Very high	94	Very high	10 Å²	10	45.2 Å²	45.2	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-74.1	-42.4	177.1	52.9	0	0	0	0	111.8	V288 Y292 L316 V317 E318 S322 Q323 M324	V288-T320 HydrophobicContact CG1-CG2 4.3Å; V288-T320 HydrophobicContact CG2-CG2 3.9Å; Y292-T320 HydrophobicContact CD1-CG2 4.11Å; Y292-T320 HydrophobicContact CE1-CG2 4.34Å; Y292-T320 HydrophobicContact CG-CG2 4.26Å; L316-T320 HydrophobicContact CD1-CG2 4.28Å; L316-T320 WeakPolarHBondContact O-CB 3.47Å; L316-T320 VanDerWaalsContact O-CG2 3.27Å; L316-T320 WeakPolarHBondContact O-CG2 3.32Å; L316-T320 PolarHBondContact O-N 2.95Å; L316-T320 PolarHBondContact O-OG1 3.43Å; V317-T320 PolarHBondContact O-OG1 3.31Å; E318-T320 PolarHBondContact O-N 3.26Å; T320-S322 VanDerWaalsContact C-N 3.27Å; T320-S322 PolarHBondContact O-N 3.42Å; T320-Q323 PolarHBondContact O-N 2.85Å; T320-M324 HydrophobicContact CG2-CG 4.33Å; T320-M324 HydrophobicContact CG2-SD 4.47Å; T320-M324 CarbonylContact O-C 3.59Å; T320-M324 WeakPolarHBondContact O-CA 3.46Å; T320-M324 PolarHBondContact O-N 3.09Å
321	A	94.5	Very high	94.5	Very high	42 Å²	42	44.4 Å²	44.4	35%	0.347	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-36.5	176.5	0	0	0	0	0	112.9	V317 L364	V317-A321 WeakPolarHBondContact O-CB 3.47Å; V317-A321 PolarHBondContact O-N 2.96Å; A321-L364 HydrophobicContact CB-CD1 3.88Å
322	S	95.3	Very high	94.7	Very high	88 Å²	88	46 Å²	46	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-79.5	-43.2	179	55.6	0	0	0	0	113.9	E318 A319 T320	E318-S322 WeakPolarHBondContact O-CB 3.29Å; E318-S322 PolarHBondContact O-N 3.16Å; E318-S322 PolarHBondContact O-OG 2.91Å; A319-S322 PolarHBondContact O-OG 2.93Å; A319-S322 VanDerWaalsContact O-OG 3.12Å; T320-S322 VanDerWaalsContact C-N 3.27Å; T320-S322 PolarHBondContact O-N 3.42Å
323	Q	94.9	Very high	94.7	Very high	119 Å²	119	52.4 Å²	52.4	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-97.1	-24.8	-170.6	-61	171.3	29.1	0	0	113.7	Y292 A319 T320	Y292-Q323 PolarHBondContact OH-OE1 3.44Å; A319-Q323 VanDerWaalsContact O-CB 3.3Å; A319-Q323 WeakPolarHBondContact O-CB 3.43Å; A319-Q323 WeakPolarHBondContact O-CG 3.32Å; A319-Q323 PolarHBondContact O-N 2.96Å; A319-Q323 VanDerWaalsContact O-N 3.08Å; T320-Q323 PolarHBondContact O-N 2.85Å
324	M	94.3	Very high	94.7	Very high	29 Å²	29	54 Å²	54	14%	0.143	28%	0.284	C	S	.	.	S	Bend	trans	-151	71.5	-179.6	53.4	-178.1	57.9	0	0	110.2	Y284 K287 V288 Y292 T320 L326	Y284-M324 HydrophobicContact CE2-CB 4.05Å; Y284-M324 HydrophobicContact CE2-CG 4.05Å; Y284-M324 WeakPolarHBondContact CE2-O 3.27Å; Y284-M324 HydrophobicContact CE2-SD 4.33Å; Y284-M324 PolarHBondContact OH-O 3.16Å; K287-M324 HydrophobicContact CD-CE 3.26Å; K287-M324 HydrophobicContact CD-SD 4.24Å; K287-M324 HydrophobicContact CG-CE 3.87Å; K287-M324 HydrophobicContact CG-SD 4.48Å; V288-M324 HydrophobicContact CG2-SD 3.89Å; Y292-M324 HydrophobicContact CD2-SD 4.42Å; Y292-M324 HydrophobicContact CE2-CE 3.48Å; Y292-M324 VanDerWaalsContact CE2-CE 3.48Å; Y292-M324 HydrophobicContact CE2-SD 3.69Å; Y292-M324 WeakPolarHBondContact OH-CE 3.2Å; T320-M324 HydrophobicContact CG2-CG 4.33Å; T320-M324 HydrophobicContact CG2-SD 4.47Å; T320-M324 CarbonylContact O-C 3.59Å; T320-M324 WeakPolarHBondContact O-CA 3.46Å; T320-M324 PolarHBondContact O-N 3.09Å; M324-L326 PolarHBondContact O-N 3.08Å
325	P	95.6	Very high	94.7	Very high	67 Å²	67	54.2 Å²	54.2	44%	0.435	28%	0.283	S	S	.	.			trans	-59.9	140.6	-178.8	23.5	-33.1	0	0	0	111.2	Q281	Q281-P325 PolarHBondContact NE2-O 2.95Å
326	L	95.4	Very high	94.7	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.12	31%	0.309	C	S	.	.			trans	-65.3	136	168.8	-78.2	171	0	0	0	109.6	C279 Q281 Y284 M324 M328 I367	C279-L326 HydrophobicContact CB-CD2 4.34Å; Q281-L326 VanDerWaalsContact OE1-CA 3.32Å; Y284-L326 HydrophobicContact CD1-CD2 4.07Å; Y284-L326 HydrophobicContact CD2-CD2 4.38Å; Y284-L326 HydrophobicContact CE1-CD2 3.65Å; Y284-L326 HydrophobicContact CE1-CG 4.22Å; Y284-L326 HydrophobicContact CE2-CD2 3.97Å; Y284-L326 HydrophobicContact CE2-CG 4.4Å; Y284-L326 HydrophobicContact CG-CD2 4.44Å; M324-L326 PolarHBondContact O-N 3.08Å; L326-M328 HydrophobicContact CB-CE 4.08Å; L326-M328 HydrophobicContact CB-CG 4.06Å; L326-M328 HydrophobicContact CD1-CE 4.33Å; L326-M328 PolarHBondContact O-N 2.88Å; L326-I367 HydrophobicContact CD1-CD1 4.36Å
327	Q	95.3	Very high	94.5	Very high	98 Å²	98	61.9 Å²	61.9	46%	0.458	33%	0.334	S	S	.	.			trans	-79.3	62.1	177.8	-63.8	-66.2	-35.3	0	0	110.6	C279 Q281 D329 T330	C279-Q327 HydrophobicContact CB-CB 4.3Å; Q281-Q327 HydrophobicContact CG-CB 4.31Å; Q281-Q327 HydrophobicContact CG-CG 3.99Å; Q327-D329 PolarHBondContact O-N 3.29Å; Q327-D329 VanDerWaalsContact O-N 3.13Å; Q327-T330 VanDerWaalsContact O-CB 3.27Å; Q327-T330 WeakPolarHBondContact O-CB 3.48Å; Q327-T330 PolarHBondContact O-N 2.69Å
328	M	95.7	Very high	94.5	Very high	25 Å²	25	63.5 Å²	63.5	12%	0.123	35%	0.354	C	S	.	.	H	α-helix	trans	-60	-26.2	-173.1	-62.6	176.9	-171	0	0	113.3	L326 T330 A331 A332 K360 W363 L364	L326-M328 HydrophobicContact CB-CE 4.08Å; L326-M328 HydrophobicContact CB-CG 4.06Å; L326-M328 HydrophobicContact CD1-CE 4.33Å; L326-M328 PolarHBondContact O-N 2.88Å; M328-T330 VanDerWaalsContact C-N 3.25Å; M328-T330 PolarHBondContact O-N 2.72Å; M328-A331 WeakPolarHBondContact O-CB 3.36Å; M328-A331 PolarHBondContact O-N 2.84Å; M328-A331 VanDerWaalsContact O-N 3.13Å; M328-A332 PolarHBondContact O-N 3.27Å; M328-K360 HydrophobicContact SD-CG 4.14Å; M328-W363 HydrophobicContact CB-CE3 4.43Å; M328-W363 HydrophobicContact CE-CB 3.66Å; M328-W363 HydrophobicContact CE-CD2 4.33Å; M328-W363 HydrophobicContact CE-CG 3.78Å; M328-W363 HydrophobicContact CG-CD2 4.22Å; M328-W363 HydrophobicContact CG-CE3 4.03Å; M328-W363 HydrophobicContact SD-CB 3.9Å; M328-W363 HydrophobicContact SD-CD2 4.24Å; M328-W363 HydrophobicContact SD-CE3 4.19Å; M328-W363 HydrophobicContact SD-CG 4.14Å; M328-L364 HydrophobicContact CE-CD2 4Å; M328-L364 HydrophobicContact CE-CG 4.07Å
329	D	94.8	Very high	94.5	Very high	94 Å²	94	59 Å²	59	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-67.6	-26.9	175	-61	-27.8	0	0	0	111.7	Q327 R333 K360	Q327-D329 PolarHBondContact O-N 3.29Å; Q327-D329 VanDerWaalsContact O-N 3.13Å; D329-R333 PolarHBondContact O-N 3.29Å; D329-K360 IonicContact OD1-NZ 3.79Å; D329-K360 PolarHBondContact OD1-NZ 2.92Å; D329-K360 IonicContact OD2-NZ 2.76Å; D329-K360 PolarHBondContact OD2-NZ 2.94Å; D329-K360 VanDerWaalsContact OD2-NZ 3.14Å
330	T	94.3	Very high	94.6	Very high	33 Å²	33	59.8 Å²	59.8	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-69	-40.6	169.7	-64	0	0	0	0	111.4	N280 Q327 M328 R333	N280-T330 HydrophobicContact CB-CG2 4.05Å; Q327-T330 VanDerWaalsContact O-CB 3.27Å; Q327-T330 WeakPolarHBondContact O-CB 3.48Å; Q327-T330 PolarHBondContact O-N 2.69Å; M328-T330 VanDerWaalsContact C-N 3.25Å; M328-T330 PolarHBondContact O-N 2.72Å; T330-R333 PolarHBondContact O-N 3.43Å; T330-R333 PolarHBondContact OG1-NH2 3.04Å; T330-R333 VanDerWaalsContact OG1-NH2 3.1Å
331	A	95.1	Very high	94.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-39.9	174.9	0	0	0	0	0	112.2	I278 M328 R333 L334 F335 W363	I278-A331 HydrophobicContact CG2-CB 3.62Å; M328-A331 WeakPolarHBondContact O-CB 3.36Å; M328-A331 PolarHBondContact O-N 2.84Å; M328-A331 VanDerWaalsContact O-N 3.13Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 3.15Å; A331-L334 WeakPolarHBondContact O-CA 3.38Å; A331-L334 WeakPolarHBondContact O-CB 3.39Å; A331-L334 PolarHBondContact O-N 3.19Å; A331-F335 HydrophobicContact CB-CE2 4.21Å; A331-F335 HydrophobicContact CB-CZ 4.18Å; A331-F335 WeakPolarHBondContact O-CG 3.5Å; A331-F335 PolarHBondContact O-N 2.99Å; A331-W363 HydrophobicContact CB-CH2 3.55Å; A331-W363 HydrophobicContact CB-CZ3 3.88Å
332	A	93.8	Very high	94.9	Very high	37 Å²	37	58.7 Å²	58.7	31%	0.306	32%	0.324	S	S	.	.	H	α-helix	trans	-55	-42.7	177.1	0	0	0	0	0	112.2	M328 L334 F335 D336	M328-A332 PolarHBondContact O-N 3.27Å; A332-L334 VanDerWaalsContact C-N 3.29Å; A332-L334 PolarHBondContact O-N 2.96Å; A332-F335 WeakPolarHBondContact O-CA 3.44Å; A332-F335 WeakPolarHBondContact O-CB 3.33Å; A332-F335 PolarHBondContact O-N 2.88Å; A332-D336 VanDerWaalsContact O-CG 3.29Å; A332-D336 PolarHBondContact O-N 2.95Å
333	R	93.6	Very high	95.1	Very high	166 Å²	166	54.5 Å²	54.5	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-61.5	-33.5	175.5	-69.1	-177.5	-72.4	-155.8	-3.1	113.5	D329 T330 A331 S337	D329-R333 PolarHBondContact O-N 3.29Å; T330-R333 PolarHBondContact O-N 3.43Å; T330-R333 PolarHBondContact OG1-NH2 3.04Å; T330-R333 VanDerWaalsContact OG1-NH2 3.1Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 3.15Å; R333-S337 PolarHBondContact O-N 3.15Å
334	L	92.7	Very high	95.2	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.204	27%	0.268	C	S	.	.	H	α-helix	trans	-69.8	-38	173.4	-68.6	174.4	0	0	0	110.9	I278 A331 A332 S337 K339	I278-L334 HydrophobicContact CB-CD1 4.48Å; I278-L334 HydrophobicContact CG2-CD1 3.74Å; I278-L334 WeakPolarHBondContact O-CD1 3.25Å; A331-L334 WeakPolarHBondContact O-CA 3.38Å; A331-L334 WeakPolarHBondContact O-CB 3.39Å; A331-L334 PolarHBondContact O-N 3.19Å; A332-L334 VanDerWaalsContact C-N 3.29Å; A332-L334 PolarHBondContact O-N 2.96Å; L334-S337 PolarHBondContact O-N 3.43Å; L334-S337 PolarHBondContact O-OG 3.1Å; L334-K339 HydrophobicContact CB-CD 4.29Å; L334-K339 HydrophobicContact CD2-CD 4.11Å; L334-K339 WeakPolarHBondContact O-CB 3.24Å; L334-K339 PolarHBondContact O-N 2.91Å
335	F	94.9	Very high	95.4	Very high	54 Å²	54	47.4 Å²	47.4	24%	0.237	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-41.2	176.7	-54.9	-27.7	0	0	0	112.1	I278 A331 A332 S337 G338 K339 F341 P358 W363	I278-F335 HydrophobicContact CG2-CE1 4.04Å; I278-F335 HydrophobicContact CG2-CZ 4.22Å; A331-F335 HydrophobicContact CB-CE2 4.21Å; A331-F335 HydrophobicContact CB-CZ 4.18Å; A331-F335 WeakPolarHBondContact O-CG 3.5Å; A331-F335 PolarHBondContact O-N 2.99Å; A332-F335 WeakPolarHBondContact O-CA 3.44Å; A332-F335 WeakPolarHBondContact O-CB 3.33Å; A332-F335 PolarHBondContact O-N 2.88Å; F335-S337 PolarHBondContact O-N 2.81Å; F335-G338 WeakPolarHBondContact O-CA 3.29Å; F335-G338 PolarHBondContact O-N 2.9Å; F335-K339 WeakPolarHBondContact CA-O 3.48Å; F335-F341 HydrophobicContact CE1-CB 3.74Å; F335-F341 HydrophobicContact CZ-CB 3.87Å; F335-F341 HydrophobicContact CZ-CD1 4.43Å; F335-P358 HydrophobicContact CZ-CG 4.39Å; F335-W363 HydrophobicContact CE2-CH2 4.01Å; F335-W363 AromaticContact CE2-CZ3 3.74Å; F335-W363 HydrophobicContact CE2-CZ3 3.74Å; F335-W363 AromaticContact CZ-CH2 3.78Å; F335-W363 HydrophobicContact CZ-CH2 3.78Å; F335-W363 HydrophobicContact CZ-CZ3 4Å
336	D	93.4	Very high	95.5	Very high	141 Å²	141	44.2 Å²	44.2	75%	0.754	24%	0.24	S	C	*	.	H	α-helix	trans	-60.8	-27.7	174.1	-64.5	-23.4	0	0	0	112.3	A332 G338	A332-D336 VanDerWaalsContact O-CG 3.29Å; A332-D336 PolarHBondContact O-N 2.95Å; D336-G338 PolarHBondContact O-N 3.13Å
337	S	92.3	Very high	95.5	Very high	80 Å²	80	45.7 Å²	45.7	56%	0.559	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	0.8	173.7	79	0	0	0	0	114.5	R333 L334 F335	R333-S337 PolarHBondContact O-N 3.15Å; L334-S337 PolarHBondContact O-N 3.43Å; L334-S337 PolarHBondContact O-OG 3.1Å; F335-S337 PolarHBondContact O-N 2.81Å
338	G	92.9	Very high	95.3	Very high	50 Å²	50	45.2 Å²	45.2	52%	0.515	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	8	178.5	0	0	0	0	0	115.2	F335 D336	F335-G338 WeakPolarHBondContact O-CA 3.29Å; F335-G338 PolarHBondContact O-N 2.9Å; D336-G338 PolarHBondContact O-N 3.13Å
339	K	95.6	Very high	95.1	Very high	36 Å²	36	49.1 Å²	49.1	16%	0.157	26%	0.263	C	S	.	.			trans	-82.9	154.7	175.1	-55.4	-176.7	179.4	-62.8	0	110.8	F261 D262 Y264 L334 F335	F261-K339 WeakPolarHBondContact O-CD 3.37Å; F261-K339 WeakPolarHBondContact O-CE 3.36Å; F261-K339 PolarHBondContact O-NZ 2.9Å; D262-K339 CarbonylContact O-C 3.52Å; D262-K339 VanDerWaalsContact O-CA 3.25Å; D262-K339 WeakPolarHBondContact O-CA 3.4Å; D262-K339 IonicContact OD1-NZ 3.5Å; Y264-K339 HydrophobicContact CE2-CB 4.06Å; Y264-K339 HydrophobicContact CE2-CD 4.21Å; L334-K339 HydrophobicContact CB-CD 4.29Å; L334-K339 HydrophobicContact CD2-CD 4.11Å; L334-K339 WeakPolarHBondContact O-CB 3.24Å; L334-K339 PolarHBondContact O-N 2.91Å; F335-K339 WeakPolarHBondContact CA-O 3.48Å
340	S	97	Very high	94.9	Very high	25 Å²	25	49 Å²	49	18%	0.175	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.9	-179.1	-46.7	0	0	0	0	111.9	D262 L263 Y264	D262-S340 PolarHBondContact O-N 3.41Å; L263-S340 CarbonylContact C-O 3.54Å; L263-S340 WeakPolarHBondContact CA-O 3.46Å; Y264-S340 WeakPolarHBondContact CD2-O 3.47Å; Y264-S340 PolarHBondContact N-O 2.89Å
341	F	98.2	Very high	94.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.9	179.4	177.9	-154.9	0	0	0	110.8	Y264 A271 L274 I278 F335 M343 L357 P358 W363	Y264-F341 HydrophobicContact CD2-CB 4.45Å; Y264-F341 CarbonylContact O-C 3.57Å; Y264-F341 WeakPolarHBondContact O-CA 3.22Å; A271-F341 HydrophobicContact CB-CZ 4.46Å; A271-F341 WeakPolarHBondContact O-CZ 3.35Å; L274-F341 HydrophobicContact CB-CD2 4.45Å; L274-F341 HydrophobicContact CB-CE1 4.48Å; L274-F341 HydrophobicContact CB-CE2 3.64Å; L274-F341 HydrophobicContact CB-CZ 3.66Å; L274-F341 HydrophobicContact CD1-CD2 4.46Å; L274-F341 HydrophobicContact CD1-CE2 3.86Å; L274-F341 HydrophobicContact CG-CE2 4.42Å; I278-F341 HydrophobicContact CD1-CB 3.74Å; I278-F341 HydrophobicContact CD1-CD1 3.46Å; I278-F341 VanDerWaalsContact CD1-CD1 3.46Å; I278-F341 HydrophobicContact CD1-CD2 3.84Å; I278-F341 HydrophobicContact CD1-CE1 3.99Å; I278-F341 HydrophobicContact CD1-CE2 4.35Å; I278-F341 HydrophobicContact CD1-CG 3.39Å; I278-F341 HydrophobicContact CD1-CZ 4.42Å; F335-F341 HydrophobicContact CE1-CB 3.74Å; F335-F341 HydrophobicContact CZ-CB 3.87Å; F335-F341 HydrophobicContact CZ-CD1 4.43Å; F341-M343 HydrophobicContact CD1-CE 4.06Å; F341-M343 HydrophobicContact CE1-CE 3.22Å; F341-M343 HydrophobicContact CE1-CG 4.17Å; F341-M343 HydrophobicContact CE1-SD 4.49Å; F341-M343 HydrophobicContact CE2-CG 3.99Å; F341-M343 HydrophobicContact CZ-CE 3.56Å; F341-M343 HydrophobicContact CZ-CG 3.7Å; F341-M343 HydrophobicContact CZ-SD 4.34Å; F341-L357 WeakPolarHBondContact O-CD2 3.47Å; F341-P358 HydrophobicContact CB-CG 4.36Å; F341-P358 HydrophobicContact CD1-CG 3.55Å; F341-P358 HydrophobicContact CE1-CG 4.13Å; F341-P358 HydrophobicContact CG-CG 4.19Å; F341-P358 WeakPolarHBondContact O-CD 3.38Å; F341-W363 HydrophobicContact CD1-CH2 4.07Å; F341-W363 AromaticContact CD1-CZ2 3.81Å; F341-W363 HydrophobicContact CD1-CZ2 3.81Å; F341-W363 HydrophobicContact CE1-CH2 4.42Å; F341-W363 AromaticContact CE1-CZ2 3.69Å; F341-W363 HydrophobicContact CE1-CZ2 3.69Å
342	Y	98.4	Very high	94.8	Very high	28 Å²	28	51.4 Å²	51.4	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130	178.1	-62.3	-88.2	0	0	0	110.9	L263 Y264 L265 G266 F356 L357 Q405	L263-Y342 HydrophobicContact CD2-CE2 4.05Å; Y264-Y342 PolarHBondContact O-N 2.82Å; L265-Y342 WeakPolarHBondContact CA-O 3.39Å; L265-Y342 HydrophobicContact CG-CD2 4.26Å; G266-Y342 PolarHBondContact N-O 3.01Å; Y342-F356 WeakPolarHBondContact CA-O 3.45Å; Y342-L357 HydrophobicContact CD1-CD2 4.12Å; Y342-L357 HydrophobicContact CD1-CG 4.12Å; Y342-L357 HydrophobicContact CE1-CD1 4.17Å; Y342-L357 HydrophobicContact CE1-CD2 3.74Å; Y342-L357 HydrophobicContact CE1-CG 3.75Å; Y342-L357 HydrophobicContact CE2-CD2 4.34Å; Y342-Q405 HydrophobicContact CE2-CG 4.25Å
343	M	98.5	Very high	95	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.9	169.8	-57.3	-173.2	-167.4	0	0	109.5	G266 A271 F341 Y355 F356 P358 W363 V366 I367	G266-M343 WeakPolarHBondContact O-CA 3.21Å; A271-M343 HydrophobicContact CB-CB 4.17Å; A271-M343 HydrophobicContact CB-CG 3.86Å; A271-M343 HydrophobicContact CB-SD 4.12Å; F341-M343 HydrophobicContact CD1-CE 4.06Å; F341-M343 HydrophobicContact CE1-CE 3.22Å; F341-M343 HydrophobicContact CE1-CG 4.17Å; F341-M343 HydrophobicContact CE1-SD 4.49Å; F341-M343 HydrophobicContact CE2-CG 3.99Å; F341-M343 HydrophobicContact CZ-CE 3.56Å; F341-M343 HydrophobicContact CZ-CG 3.7Å; F341-M343 HydrophobicContact CZ-SD 4.34Å; M343-Y355 WeakPolarHBondContact O-CA 3.4Å; M343-F356 PolarHBondContact N-O 2.83Å; M343-F356 PolarHBondContact O-N 2.62Å; M343-P358 HydrophobicContact CE-CB 3.7Å; M343-P358 HydrophobicContact CE-CG 3.86Å; M343-W363 HydrophobicContact CE-CD2 4.4Å; M343-W363 HydrophobicContact CE-CG 4.34Å; M343-W363 HydrophobicContact CE-CZ2 4.28Å; M343-W363 VanDerWaalsContact CE-NE1 3.31Å; M343-V366 HydrophobicContact CB-CG1 3.54Å; M343-V366 HydrophobicContact CG-CG1 3.99Å; M343-V366 HydrophobicContact SD-CB 4.04Å; M343-V366 HydrophobicContact SD-CG1 3.47Å; M343-V366 WeakPolarHBondContact SD-CG1 3.34Å; M343-I367 HydrophobicContact CE-CG1 3.98Å; M343-I367 HydrophobicContact SD-CG1 3.85Å
344	C	98.4	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.6	177.1	-176.6	0	0	0	0	110.6	G266 T267 N354 Y355 S370	G266-C344 PolarHBondContact O-N 2.81Å; T267-C344 HydrophobicContact CG2-CB 4.28Å; T267-C344 VanDerWaalsContact OG1-CB 3.28Å; T267-C344 WeakPolarHBondContact OG1-CB 3.37Å; C344-N354 WeakPolarHBondContact CA-O 3.34Å; C344-Y355 HydrophobicContact CB-CD1 4.01Å; C344-Y355 HydrophobicContact CB-CE1 3.83Å; C344-S370 WeakPolarHBondContact O-CA 3.36Å; C344-S370 VanDerWaalsContact O-CB 3.26Å; C344-S370 WeakPolarHBondContact O-CB 3.5Å; C344-S370 PolarHBondContact O-OG 2.98Å
345	A	97.8	Very high	95.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.2	164.6	0	0	0	0	0	109.7	N354 F356 A369 Y388	A345-N354 PolarHBondContact N-O 3.47Å; A345-N354 PolarHBondContact O-N 3.28Å; A345-F356 HydrophobicContact CB-CD2 4.3Å; A345-F356 HydrophobicContact CB-CE2 4.01Å; A345-A369 HydrophobicContact CB-CB 4.16Å; A345-Y388 HydrophobicContact CB-CD1 3.92Å; A345-Y388 HydrophobicContact CB-CG 4.32Å
346	C	96.6	Very high	95.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.9	-179	179	0	0	0	0	108.9	Y388 L389 D390 I393 S394	C346-Y388 CarbonylContact O-C 3.57Å; C346-Y388 VanDerWaalsContact O-CA 3.3Å; C346-Y388 WeakPolarHBondContact O-CA 3.49Å; C346-L389 HydrophobicContact CB-CB 4.36Å; C346-L389 PolarHBondContact N-O 3.44Å; C346-L389 PolarHBondContact O-N 3.04Å; C346-D390 WeakPolarHBondContact CB-O 3.35Å; C346-I393 HydrophobicContact CB-CB 4.13Å; C346-I393 HydrophobicContact CB-CD1 4.46Å; C346-S394 WeakPolarHBondContact CB-OG 3.27Å
347	R	95.3	Very high	95.7	Very high	54 Å²	54	43.4 Å²	43.4	20%	0.204	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	141.3	169.4	-69.2	-177.5	64.9	100.7	-0.4	110.2	D349 D350 Y351 A352 I386 Y388	R347-D349 WeakPolarHBondContact CB-OD1 3.38Å; R347-D349 IonicContact CZ-OD1 3.57Å; R347-D349 IonicContact CZ-OD2 3.62Å; R347-D349 IonicContact NE-OD1 2.92Å; R347-D349 PolarHBondContact NE-OD1 2.96Å; R347-D349 IonicContact NE-OD2 3.69Å; R347-D349 IonicContact NH2-OD1 3.4Å; R347-D349 PolarHBondContact NH2-OD1 3.26Å; R347-D349 IonicContact NH2-OD2 2.71Å; R347-D349 PolarHBondContact NH2-OD2 2.98Å; R347-D350 WeakPolarHBondContact CB-OD1 3.5Å; R347-D350 WeakPolarHBondContact CD-OD1 3.5Å; R347-D350 IonicContact NE-OD1 2.65Å; R347-Y351 WeakPolarHBondContact O-CA 3.31Å; R347-Y351 PolarHBondContact O-N 2.71Å; R347-A352 PolarHBondContact N-O 2.86Å; R347-I386 HydrophobicContact CG-CG2 4.32Å; R347-Y388 HydrophobicContact CB-CE1 4.43Å; R347-Y388 HydrophobicContact CG-CD1 4.21Å; R347-Y388 HydrophobicContact CG-CE1 3.55Å
348	Q	92	Very high	95.9	Very high	87 Å²	87	40 Å²	40	41%	0.407	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-27.5	180	178.3	167.9	-36	0	0	113.6	N387 L389	Q348-N387 HydrophobicContact CB-CB 4.25Å; Q348-N387 VanDerWaalsContact CB-O 3.29Å; Q348-N387 WeakPolarHBondContact CB-O 3.28Å; Q348-N387 PolarHBondContact N-O 3.47Å; Q348-N387 PolarHBondContact OE1-ND2 2.94Å; Q348-L389 HydrophobicContact CB-CD1 4.05Å; Q348-L389 HydrophobicContact CB-CD2 4.48Å; Q348-L389 HydrophobicContact CB-CG 4.02Å; Q348-L389 HydrophobicContact CG-CD1 4.03Å; Q348-L389 HydrophobicContact CG-CG 4.38Å
349	D	91	Very high	96	Very high	107 Å²	107	40.6 Å²	40.6	57%	0.572	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-39.8	-171.6	55.8	-15.2	0	0	0	113.5	R347	R347-D349 WeakPolarHBondContact CB-OD1 3.38Å; R347-D349 IonicContact CZ-OD1 3.57Å; R347-D349 IonicContact CZ-OD2 3.62Å; R347-D349 IonicContact NE-OD1 2.92Å; R347-D349 PolarHBondContact NE-OD1 2.96Å; R347-D349 IonicContact NE-OD2 3.69Å; R347-D349 IonicContact NH2-OD1 3.4Å; R347-D349 PolarHBondContact NH2-OD1 3.26Å; R347-D349 IonicContact NH2-OD2 2.71Å; R347-D349 PolarHBondContact NH2-OD2 2.98Å
350	D	91.8	Very high	95.8	Very high	91 Å²	91	44.6 Å²	44.6	49%	0.487	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	0.1	-177.3	66.6	2.3	0	0	0	114.6	R347 A352	R347-D350 WeakPolarHBondContact CB-OD1 3.5Å; R347-D350 WeakPolarHBondContact CD-OD1 3.5Å; R347-D350 IonicContact NE-OD1 2.65Å; D350-A352 PolarHBondContact O-N 2.68Å; D350-A352 VanDerWaalsContact OD1-CB 3.25Å; D350-A352 WeakPolarHBondContact OD1-CB 3.17Å; D350-A352 PolarHBondContact OD1-N 2.87Å
351	Y	92.8	Very high	95.7	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.204	25%	0.254	C	S	.	.			trans	60.2	17.1	-174.7	-49.4	-51.8	0	0	0	115.2	R347 S394 N444 H448	R347-Y351 WeakPolarHBondContact O-CA 3.31Å; R347-Y351 PolarHBondContact O-N 2.71Å; Y351-S394 WeakPolarHBondContact O-CB 3.5Å; Y351-N444 HydrophobicContact CE2-CB 4.24Å; Y351-H448 PolarHBondContact O-NE2 3.43Å
352	A	95	Very high	95.5	Very high	33 Å²	33	52.8 Å²	52.8	27%	0.273	27%	0.265	S	S	.	.			trans	-69.7	141.2	175.8	0	0	0	0	0	111.1	R347 D350	R347-A352 PolarHBondContact N-O 2.86Å; D350-A352 PolarHBondContact O-N 2.68Å; D350-A352 VanDerWaalsContact OD1-CB 3.25Å; D350-A352 WeakPolarHBondContact OD1-CB 3.17Å; D350-A352 PolarHBondContact OD1-N 2.87Å
353	P	97	Very high	95.4	Very high	53 Å²	53	51.6 Å²	51.6	34%	0.344	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.5	172.2	29.6	-32.3	0	0	0	110	Y355 S394 D395	P353-Y355 HydrophobicContact CB-CE2 4.12Å; P353-Y355 HydrophobicContact CG-CE2 4.37Å; P353-S394 WeakPolarHBondContact CA-OG 3.1Å; P353-S394 WeakPolarHBondContact CB-OG 3.4Å; P353-D395 HydrophobicContact CB-CB 4.22Å
354	N	97.7	Very high	95.3	Very high	58 Å²	58	53.8 Å²	53.8	31%	0.31	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140	169.2	-160.1	49.3	0	0	0	110.3	C344 A345 F356 Y388	C344-N354 WeakPolarHBondContact CA-O 3.34Å; A345-N354 PolarHBondContact N-O 3.47Å; A345-N354 PolarHBondContact O-N 3.28Å; N354-F356 HydrophobicContact CB-CE2 4.11Å; N354-F356 WeakPolarHBondContact ND2-CE1 3.48Å; N354-F356 VanDerWaalsContact ND2-CE2 3.35Å; N354-F356 WeakPolarHBondContact ND2-CE2 3.05Å; N354-F356 WeakPolarHBondContact ND2-CZ 3.48Å; N354-Y388 HydrophobicContact CB-CE1 3.68Å; N354-Y388 PolarHBondContact ND2-OH 2.94Å
355	Y	98.1	Very high	95.2	Very high	44 Å²	44	56.4 Å²	56.4	17%	0.173	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108	-173.5	-60.7	-77.7	0	0	0	110.6	M343 C344 P353 D395 P398 E401	M343-Y355 WeakPolarHBondContact O-CA 3.4Å; C344-Y355 HydrophobicContact CB-CD1 4.01Å; C344-Y355 HydrophobicContact CB-CE1 3.83Å; P353-Y355 HydrophobicContact CB-CE2 4.12Å; P353-Y355 HydrophobicContact CG-CE2 4.37Å; Y355-D395 PolarHBondContact OH-OD2 2.96Å; Y355-P398 HydrophobicContact CE1-CB 3.73Å; Y355-E401 HydrophobicContact CD1-CB 4.32Å; Y355-E401 HydrophobicContact CD1-CG 3.77Å; Y355-E401 HydrophobicContact CD2-CB 4.41Å; Y355-E401 HydrophobicContact CD2-CG 3.76Å; Y355-E401 HydrophobicContact CE1-CB 3.74Å; Y355-E401 HydrophobicContact CE1-CG 3.71Å; Y355-E401 HydrophobicContact CE2-CB 3.85Å; Y355-E401 HydrophobicContact CE2-CG 3.71Å; Y355-E401 HydrophobicContact CG-CG 3.78Å; Y355-E401 VanDerWaalsContact CZ-CB 3.48Å
356	F	97.8	Very high	95.1	Very high	22 Å²	22	56.4 Å²	56.4	10%	0.096	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.1	-176.2	-68.6	-83.5	0	0	0	111.9	Y342 M343 A345 N354 V366 L383 Y388	Y342-F356 WeakPolarHBondContact CA-O 3.45Å; M343-F356 PolarHBondContact N-O 2.83Å; M343-F356 PolarHBondContact O-N 2.62Å; A345-F356 HydrophobicContact CB-CD2 4.3Å; A345-F356 HydrophobicContact CB-CE2 4.01Å; N354-F356 HydrophobicContact CB-CE2 4.11Å; N354-F356 WeakPolarHBondContact ND2-CE1 3.48Å; N354-F356 VanDerWaalsContact ND2-CE2 3.35Å; N354-F356 WeakPolarHBondContact ND2-CE2 3.05Å; N354-F356 WeakPolarHBondContact ND2-CZ 3.48Å; F356-V366 HydrophobicContact CB-CB 4.4Å; F356-V366 HydrophobicContact CB-CG1 3.45Å; F356-V366 VanDerWaalsContact CB-CG1 3.45Å; F356-V366 HydrophobicContact CB-CG2 3.93Å; F356-V366 HydrophobicContact CD1-CG2 4.44Å; F356-V366 HydrophobicContact CD2-CG1 4.19Å; F356-V366 HydrophobicContact CG-CG1 4.01Å; F356-V366 HydrophobicContact CG-CG2 4.2Å; F356-L383 HydrophobicContact CD1-CD1 4.48Å; F356-L383 HydrophobicContact CD2-CD1 4.5Å; F356-L383 HydrophobicContact CE1-CD1 3.93Å; F356-L383 HydrophobicContact CE2-CD1 3.95Å; F356-L383 HydrophobicContact CZ-CB 4.36Å; F356-L383 HydrophobicContact CZ-CD1 3.61Å; F356-Y388 HydrophobicContact CE2-CD1 4.07Å; F356-Y388 AromaticContact CE2-CE1 3.84Å; F356-Y388 HydrophobicContact CE2-CE1 3.84Å; F356-Y388 HydrophobicContact CE2-CE2 4.38Å; F356-Y388 HydrophobicContact CE2-CG 4.44Å; F356-Y388 HydrophobicContact CZ-CD1 4.32Å; F356-Y388 HydrophobicContact CZ-CD2 4.22Å; F356-Y388 AromaticContact CZ-CE1 3.81Å; F356-Y388 HydrophobicContact CZ-CE1 3.81Å; F356-Y388 AromaticContact CZ-CE2 3.69Å; F356-Y388 HydrophobicContact CZ-CE2 3.69Å; F356-Y388 AromaticContact CZ-CZ 3.47Å; F356-Y388 VanDerWaalsContact CZ-CZ 3.47Å
357	L	96.5	Very high	95.1	Very high	91 Å²	91	57.1 Å²	57.1	48%	0.476	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-86.4	119.9	165.4	-73.2	158.9	0	0	0	108.4	F341 Y342 N362	F341-L357 WeakPolarHBondContact O-CD2 3.47Å; Y342-L357 HydrophobicContact CD1-CD2 4.12Å; Y342-L357 HydrophobicContact CD1-CG 4.12Å; Y342-L357 HydrophobicContact CE1-CD1 4.17Å; Y342-L357 HydrophobicContact CE1-CD2 3.74Å; Y342-L357 HydrophobicContact CE1-CG 3.75Å; Y342-L357 HydrophobicContact CE2-CD2 4.34Å; L357-N362 PolarHBondContact O-ND2 3.34Å
358	P	95.6	Very high	95.2	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.052	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-77.4	134.6	-178.7	34.6	-36.6	0	0	0	110.7	F335 F341 M343 N362 W363	F335-P358 HydrophobicContact CZ-CG 4.39Å; F341-P358 HydrophobicContact CB-CG 4.36Å; F341-P358 HydrophobicContact CD1-CG 3.55Å; F341-P358 HydrophobicContact CE1-CG 4.13Å; F341-P358 HydrophobicContact CG-CG 4.19Å; F341-P358 WeakPolarHBondContact O-CD 3.38Å; M343-P358 HydrophobicContact CE-CB 3.7Å; M343-P358 HydrophobicContact CE-CG 3.86Å; P358-N362 WeakPolarHBondContact CA-OD1 3.04Å; P358-W363 HydrophobicContact CB-CB 4.33Å; P358-W363 HydrophobicContact CB-CD2 3.58Å; P358-W363 HydrophobicContact CB-CE3 3.62Å; P358-W363 HydrophobicContact CB-CG 3.93Å; P358-W363 HydrophobicContact CB-CH2 4.45Å; P358-W363 HydrophobicContact CB-CZ2 4.44Å; P358-W363 HydrophobicContact CB-CZ3 4.08Å; P358-W363 HydrophobicContact CG-CD2 4.15Å; P358-W363 HydrophobicContact CG-CE3 4Å; P358-W363 HydrophobicContact CG-CH2 3.98Å; P358-W363 HydrophobicContact CG-CZ2 4.13Å; P358-W363 HydrophobicContact CG-CZ3 3.92Å
359	T	94.1	Very high	95.4	Very high	64 Å²	64	53.3 Å²	53.3	39%	0.393	27%	0.271	S	S	.	.			trans	-111.6	163.8	168.5	69.2	0	0	0	0	108.5	Q361 N362 W363	T359-Q361 PolarHBondContact O-N 3.37Å; T359-Q361 PolarHBondContact OG1-N 2.93Å; T359-N362 PolarHBondContact N-OD1 3.22Å; T359-N362 PolarHBondContact O-N 3.41Å; T359-N362 PolarHBondContact O-OD1 3.46Å; T359-N362 PolarHBondContact OG1-N 3.03Å; T359-N362 PolarHBondContact OG1-OD1 2.86Å; T359-W363 VanDerWaalsContact O-CB 3.28Å; T359-W363 WeakPolarHBondContact O-CB 3.32Å; T359-W363 PolarHBondContact O-N 2.95Å
360	K	92.9	Very high	95.7	Very high	120 Å²	120	48.2 Å²	48.2	52%	0.522	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.3	177	-170.2	170.4	-172.1	161.7	0	112.8	M328 D329	M328-K360 HydrophobicContact SD-CG 4.14Å; D329-K360 IonicContact OD1-NZ 3.79Å; D329-K360 PolarHBondContact OD1-NZ 2.92Å; D329-K360 IonicContact OD2-NZ 2.76Å; D329-K360 PolarHBondContact OD2-NZ 2.94Å; D329-K360 VanDerWaalsContact OD2-NZ 3.14Å
361	Q	93.5	Very high	95.9	Very high	154 Å²	154	44.1 Å²	44.1	72%	0.72	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-40.5	-177.9	-66.6	71.3	26.9	0	0	112.9	T359	T359-Q361 PolarHBondContact O-N 3.37Å; T359-Q361 PolarHBondContact OG1-N 2.93Å
362	N	95	Very high	96	Very high	42 Å²	42	41.6 Å²	41.6	23%	0.225	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-8.4	-174.4	77.1	4.4	0	0	0	113.8	L357 P358 T359 L364 D365 V366	L357-N362 PolarHBondContact O-ND2 3.34Å; P358-N362 WeakPolarHBondContact CA-OD1 3.04Å; T359-N362 PolarHBondContact N-OD1 3.22Å; T359-N362 PolarHBondContact O-N 3.41Å; T359-N362 PolarHBondContact O-OD1 3.46Å; T359-N362 PolarHBondContact OG1-N 3.03Å; T359-N362 PolarHBondContact OG1-OD1 2.86Å; N362-L364 VanDerWaalsContact C-N 3.26Å; N362-L364 PolarHBondContact O-N 3.23Å; N362-L364 VanDerWaalsContact O-N 3.12Å; N362-D365 WeakPolarHBondContact O-CA 3.46Å; N362-D365 WeakPolarHBondContact O-CB 3.36Å; N362-D365 PolarHBondContact O-N 3.02Å; N362-V366 HydrophobicContact CB-CG2 4.2Å; N362-V366 WeakPolarHBondContact O-CG2 3.48Å; N362-V366 PolarHBondContact O-N 3.22Å
363	W	96.6	Very high	95.7	Very high	4 Å²	4	42 Å²	42	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-49.9	-48.4	-168	-161.1	-61.2	0	0	0	112.6	S275 M328 A331 F335 F341 M343 P358 T359 V366 I367	S275-W363 PolarHBondContact OG-NE1 3.29Å; M328-W363 HydrophobicContact CB-CE3 4.43Å; M328-W363 HydrophobicContact CE-CB 3.66Å; M328-W363 HydrophobicContact CE-CD2 4.33Å; M328-W363 HydrophobicContact CE-CG 3.78Å; M328-W363 HydrophobicContact CG-CD2 4.22Å; M328-W363 HydrophobicContact CG-CE3 4.03Å; M328-W363 HydrophobicContact SD-CB 3.9Å; M328-W363 HydrophobicContact SD-CD2 4.24Å; M328-W363 HydrophobicContact SD-CE3 4.19Å; M328-W363 HydrophobicContact SD-CG 4.14Å; A331-W363 HydrophobicContact CB-CH2 3.55Å; A331-W363 HydrophobicContact CB-CZ3 3.88Å; F335-W363 HydrophobicContact CE2-CH2 4.01Å; F335-W363 AromaticContact CE2-CZ3 3.74Å; F335-W363 HydrophobicContact CE2-CZ3 3.74Å; F335-W363 AromaticContact CZ-CH2 3.78Å; F335-W363 HydrophobicContact CZ-CH2 3.78Å; F335-W363 HydrophobicContact CZ-CZ3 4Å; F341-W363 HydrophobicContact CD1-CH2 4.07Å; F341-W363 AromaticContact CD1-CZ2 3.81Å; F341-W363 HydrophobicContact CD1-CZ2 3.81Å; F341-W363 HydrophobicContact CE1-CH2 4.42Å; F341-W363 AromaticContact CE1-CZ2 3.69Å; F341-W363 HydrophobicContact CE1-CZ2 3.69Å; M343-W363 HydrophobicContact CE-CD2 4.4Å; M343-W363 HydrophobicContact CE-CG 4.34Å; M343-W363 HydrophobicContact CE-CZ2 4.28Å; M343-W363 VanDerWaalsContact CE-NE1 3.31Å; P358-W363 HydrophobicContact CB-CB 4.33Å; P358-W363 HydrophobicContact CB-CD2 3.58Å; P358-W363 HydrophobicContact CB-CE3 3.62Å; P358-W363 HydrophobicContact CB-CG 3.93Å; P358-W363 HydrophobicContact CB-CH2 4.45Å; P358-W363 HydrophobicContact CB-CZ2 4.44Å; P358-W363 HydrophobicContact CB-CZ3 4.08Å; P358-W363 HydrophobicContact CG-CD2 4.15Å; P358-W363 HydrophobicContact CG-CE3 4Å; P358-W363 HydrophobicContact CG-CH2 3.98Å; P358-W363 HydrophobicContact CG-CZ2 4.13Å; P358-W363 HydrophobicContact CG-CZ3 3.92Å; T359-W363 VanDerWaalsContact O-CB 3.28Å; T359-W363 WeakPolarHBondContact O-CB 3.32Å; T359-W363 PolarHBondContact O-N 2.95Å; W363-V366 PolarHBondContact O-N 3.23Å; W363-I367 WeakPolarHBondContact O-CG1 3.44Å; W363-I367 PolarHBondContact O-N 3.24Å
364	L	95.8	Very high	95.2	Very high	45 Å²	45	40.7 Å²	40.7	24%	0.236	20%	0.202	C	C	.	.	H	α-helix	trans	-71	-36.9	-177	-64.2	-177.2	0	0	0	111.7	V317 A321 M328 N362 I367 R368	V317-L364 HydrophobicContact CG1-CB 3.6Å; V317-L364 HydrophobicContact CG1-CD1 3.78Å; V317-L364 HydrophobicContact CG1-CD2 4.16Å; V317-L364 HydrophobicContact CG1-CG 4.02Å; A321-L364 HydrophobicContact CB-CD1 3.88Å; M328-L364 HydrophobicContact CE-CD2 4Å; M328-L364 HydrophobicContact CE-CG 4.07Å; N362-L364 VanDerWaalsContact C-N 3.26Å; N362-L364 PolarHBondContact O-N 3.23Å; N362-L364 VanDerWaalsContact O-N 3.12Å; L364-I367 PolarHBondContact O-N 2.63Å; L364-R368 WeakPolarHBondContact O-CG 3.47Å; L364-R368 PolarHBondContact O-N 3.29Å
365	D	95.8	Very high	94.3	Very high	55 Å²	55	39.9 Å²	39.9	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-66.4	-40.4	176.2	-60.4	-22.4	0	0	0	111.5	N362 R368 A369 L383	N362-D365 WeakPolarHBondContact O-CA 3.46Å; N362-D365 WeakPolarHBondContact O-CB 3.36Å; N362-D365 PolarHBondContact O-N 3.02Å; D365-R368 PolarHBondContact O-N 3.3Å; D365-R368 IonicContact OD1-CZ 3.49Å; D365-R368 IonicContact OD1-NE 3.93Å; D365-R368 IonicContact OD1-NH2 3.02Å; D365-R368 PolarHBondContact OD1-NH2 2.98Å; D365-A369 WeakPolarHBondContact O-CB 3.39Å; D365-A369 PolarHBondContact O-N 3.27Å; D365-L383 HydrophobicContact CB-CD2 3.77Å
366	V	97	Very high	93.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-40	175	-179.3	0	0	0	0	110.7	M343 F356 N362 W363 R368 A369 S370 L383	M343-V366 HydrophobicContact CB-CG1 3.54Å; M343-V366 HydrophobicContact CG-CG1 3.99Å; M343-V366 HydrophobicContact SD-CB 4.04Å; M343-V366 HydrophobicContact SD-CG1 3.47Å; M343-V366 WeakPolarHBondContact SD-CG1 3.34Å; F356-V366 HydrophobicContact CB-CB 4.4Å; F356-V366 HydrophobicContact CB-CG1 3.45Å; F356-V366 VanDerWaalsContact CB-CG1 3.45Å; F356-V366 HydrophobicContact CB-CG2 3.93Å; F356-V366 HydrophobicContact CD1-CG2 4.44Å; F356-V366 HydrophobicContact CD2-CG1 4.19Å; F356-V366 HydrophobicContact CG-CG1 4.01Å; F356-V366 HydrophobicContact CG-CG2 4.2Å; N362-V366 HydrophobicContact CB-CG2 4.2Å; N362-V366 WeakPolarHBondContact O-CG2 3.48Å; N362-V366 PolarHBondContact O-N 3.22Å; W363-V366 PolarHBondContact O-N 3.23Å; V366-R368 VanDerWaalsContact C-N 3.33Å; V366-R368 PolarHBondContact O-N 3.43Å; V366-A369 PolarHBondContact O-N 3.1Å; V366-S370 VanDerWaalsContact O-CB 3.24Å; V366-S370 WeakPolarHBondContact O-CB 3.39Å; V366-S370 PolarHBondContact O-N 2.95Å; V366-L383 HydrophobicContact CG2-CD1 4.43Å
367	I	96.6	Very high	93.2	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.072	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-45.1	171.8	-76.2	177.6	0	0	0	110.8	Q272 L326 M343 W363 L364 S370 S371	Q272-I367 HydrophobicContact CG-CG2 3.86Å; L326-I367 HydrophobicContact CD1-CD1 4.36Å; M343-I367 HydrophobicContact CE-CG1 3.98Å; M343-I367 HydrophobicContact SD-CG1 3.85Å; W363-I367 WeakPolarHBondContact O-CG1 3.44Å; W363-I367 PolarHBondContact O-N 3.24Å; L364-I367 PolarHBondContact O-N 2.63Å; I367-S370 PolarHBondContact O-N 2.87Å; I367-S371 WeakPolarHBondContact O-CB 3.33Å; I367-S371 PolarHBondContact O-N 3.44Å; I367-S371 VanDerWaalsContact O-N 3.14Å; I367-S371 PolarHBondContact O-OG 2.92Å
368	R	96.2	Very high	92.3	Very high	61 Å²	61	42.7 Å²	42.7	23%	0.23	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-49.7	176.8	-67.8	-170.3	-73	167.6	-3.6	110.5	L313 D314 V317 L364 D365 V366 S370 S371 A372 V381	L313-R368 HydrophobicContact CB-CG 4.27Å; D314-R368 WeakPolarHBondContact OD1-CD 3.14Å; D314-R368 IonicContact OD1-CZ 2.81Å; D314-R368 IonicContact OD1-NE 3.31Å; D314-R368 IonicContact OD1-NH1 3.01Å; D314-R368 PolarHBondContact OD1-NH1 3.31Å; V317-R368 HydrophobicContact CB-CG 4.4Å; V317-R368 HydrophobicContact CG2-CG 3.69Å; L364-R368 WeakPolarHBondContact O-CG 3.47Å; L364-R368 PolarHBondContact O-N 3.29Å; D365-R368 PolarHBondContact O-N 3.3Å; D365-R368 IonicContact OD1-CZ 3.49Å; D365-R368 IonicContact OD1-NE 3.93Å; D365-R368 IonicContact OD1-NH2 3.02Å; D365-R368 PolarHBondContact OD1-NH2 2.98Å; V366-R368 VanDerWaalsContact C-N 3.33Å; V366-R368 PolarHBondContact O-N 3.43Å; R368-S370 PolarHBondContact O-N 3.27Å; R368-S371 CarbonylContact O-C 3.53Å; R368-S371 PolarHBondContact O-N 3.32Å; R368-S371 VanDerWaalsContact O-N 3.11Å; R368-A372 WeakPolarHBondContact O-CB 3.21Å; R368-A372 PolarHBondContact O-N 3.48Å; R368-V381 HydrophobicContact CB-CG1 4.47Å; R368-V381 HydrophobicContact CB-CG2 3.75Å
369	A	96.9	Very high	91.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-47.1	179.1	0	0	0	0	0	112	A345 D365 V366 S371 A372 V381 L383 L389	A345-A369 HydrophobicContact CB-CB 4.16Å; D365-A369 WeakPolarHBondContact O-CB 3.39Å; D365-A369 PolarHBondContact O-N 3.27Å; V366-A369 PolarHBondContact O-N 3.1Å; A369-S371 PolarHBondContact O-N 2.97Å; A369-S371 VanDerWaalsContact O-N 3.16Å; A369-A372 PolarHBondContact O-N 3.24Å; A369-V381 HydrophobicContact CB-CB 3.9Å; A369-V381 HydrophobicContact CB-CG1 4.11Å; A369-V381 HydrophobicContact CB-CG2 4.46Å; A369-L383 HydrophobicContact CB-CD1 3.62Å; A369-L383 HydrophobicContact CB-CG 4.28Å; A369-L389 CarbonylContact O-C 3.5Å; A369-L389 VanDerWaalsContact O-C 3.24Å
370	S	97.3	Very high	91.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-20.4	178.6	-169.2	0	0	0	0	113.5	S268 C344 V366 I367 R368 D390 G391	S268-S370 VanDerWaalsContact CA-O 3.28Å; S268-S370 WeakPolarHBondContact CA-O 3.49Å; S268-S370 WeakPolarHBondContact CB-O 3.22Å; S268-S370 PolarHBondContact N-O 3.48Å; S268-S370 PolarHBondContact N-OG 2.95Å; C344-S370 WeakPolarHBondContact O-CA 3.36Å; C344-S370 VanDerWaalsContact O-CB 3.26Å; C344-S370 WeakPolarHBondContact O-CB 3.5Å; C344-S370 PolarHBondContact O-OG 2.98Å; V366-S370 VanDerWaalsContact O-CB 3.24Å; V366-S370 WeakPolarHBondContact O-CB 3.39Å; V366-S370 PolarHBondContact O-N 2.95Å; I367-S370 PolarHBondContact O-N 2.87Å; R368-S370 PolarHBondContact O-N 3.27Å; S370-D390 WeakPolarHBondContact O-CA 3.28Å; S370-D390 VanDerWaalsContact O-CG 3.27Å; S370-G391 PolarHBondContact O-N 3.45Å
371	S	95.9	Very high	91.4	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	6.3	-174.2	-44.5	0	0	0	0	114.1	Q272 L313 I367 R368 A369 I373 D390	Q272-S371 PolarHBondContact NE2-OG 3.33Å; L313-S371 WeakPolarHBondContact CD1-O 3.35Å; I367-S371 WeakPolarHBondContact O-CB 3.33Å; I367-S371 PolarHBondContact O-N 3.44Å; I367-S371 VanDerWaalsContact O-N 3.14Å; I367-S371 PolarHBondContact O-OG 2.92Å; R368-S371 CarbonylContact O-C 3.53Å; R368-S371 PolarHBondContact O-N 3.32Å; R368-S371 VanDerWaalsContact O-N 3.11Å; A369-S371 PolarHBondContact O-N 2.97Å; A369-S371 VanDerWaalsContact O-N 3.16Å; S371-I373 VanDerWaalsContact C-N 3.33Å; S371-I373 PolarHBondContact O-N 3.02Å; S371-D390 WeakPolarHBondContact CA-OD2 3.26Å
372	A	94.6	Very high	91.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.			trans	-77.1	75.2	-173.9	0	0	0	0	0	112.2	L313 R368 A369 P374 Y377 V381 D390	L313-A372 HydrophobicContact CD1-CB 4.23Å; R368-A372 WeakPolarHBondContact O-CB 3.21Å; R368-A372 PolarHBondContact O-N 3.48Å; A369-A372 PolarHBondContact O-N 3.24Å; A372-P374 WeakPolarHBondContact O-CD 3.42Å; A372-Y377 HydrophobicContact CB-CD1 3.83Å; A372-Y377 HydrophobicContact CB-CE1 4.45Å; A372-V381 HydrophobicContact CB-CG2 4.21Å; A372-D390 PolarHBondContact O-N 3.11Å
373	I	89.6	Confident	91.4	Very high	40 Å²	40	33.1 Å²	33.1	21%	0.205	18%	0.182	C	C	.	.			trans	-67.1	118.9	-174.7	-54	169	0	0	0	110.3	I311 S371 F376 Y377 D390	I311-I373 HydrophobicContact CD1-CB 4.31Å; I311-I373 HydrophobicContact CD1-CD1 4.2Å; I311-I373 HydrophobicContact CD1-CG1 4.33Å; S371-I373 VanDerWaalsContact C-N 3.33Å; S371-I373 PolarHBondContact O-N 3.02Å; I373-F376 HydrophobicContact CB-CB 4.41Å; I373-F376 HydrophobicContact CB-CD2 4.1Å; I373-F376 HydrophobicContact CG2-CD2 3.54Å; I373-F376 HydrophobicContact CG2-CE2 4.17Å; I373-F376 PolarHBondContact O-N 2.69Å; I373-F376 VanDerWaalsContact O-N 3.09Å; I373-Y377 PolarHBondContact O-N 3.01Å; I373-D390 HydrophobicContact CG1-CB 4.04Å; I373-D390 VanDerWaalsContact CG1-OD2 3.27Å; I373-D390 WeakPolarHBondContact CG1-OD2 3.42Å
374	P	85	Confident	91.1	Very high	27 Å²	27	41.7 Å²	41.7	18%	0.175	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	142.9	-177.6	-31	43.7	0	0	0	112.5	A372 F376 L389 I393 L445	A372-P374 WeakPolarHBondContact O-CD 3.42Å; P374-F376 PolarHBondContact O-N 3.18Å; P374-F376 VanDerWaalsContact O-N 3.15Å; P374-L389 HydrophobicContact CG-CB 3.86Å; P374-L389 HydrophobicContact CG-CD1 3.69Å; P374-L389 HydrophobicContact CG-CD2 3.98Å; P374-L389 HydrophobicContact CG-CG 4.02Å; P374-I393 HydrophobicContact CG-CD1 3.62Å; P374-L445 HydrophobicContact CB-CD1 3.52Å; P374-L445 HydrophobicContact CG-CD1 3.44Å; P374-L445 VanDerWaalsContact CG-CD1 3.44Å
375	G	80.4	Confident	90.9	Very high	40 Å²	40	43 Å²	43	41%	0.412	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-35.7	-172.1	0	0	0	0	0	113.8	F304	F304-G375 WeakPolarHBondContact CE2-O 3.45Å
376	F	84.8	Confident	90.8	Very high	80 Å²	80	42.6 Å²	42.6	35%	0.351	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-28.4	176.6	-56.7	-45.6	0	0	0	113.2	N309 L310 I311 I373 P374 L483	N309-F376 CarbonylContact C-O 3.24Å; N309-F376 WeakPolarHBondContact CB-O 3.46Å; L310-F376 HydrophobicContact CB-CB 4.11Å; L310-F376 HydrophobicContact CB-CD1 3.93Å; L310-F376 HydrophobicContact CB-CG 4.43Å; L310-F376 HydrophobicContact CD2-CD1 3.23Å; L310-F376 HydrophobicContact CD2-CE1 3.55Å; L310-F376 HydrophobicContact CD2-CG 4.04Å; L310-F376 HydrophobicContact CG-CD1 4.17Å; L310-F376 PolarHBondContact N-O 2.97Å; I311-F376 HydrophobicContact CD1-CB 4.16Å; I311-F376 HydrophobicContact CG1-CB 3.96Å; I311-F376 HydrophobicContact CG2-CB 4.47Å; I311-F376 PolarHBondContact N-O 3.36Å; I311-F376 VanDerWaalsContact N-O 3.11Å; I373-F376 HydrophobicContact CB-CB 4.41Å; I373-F376 HydrophobicContact CB-CD2 4.1Å; I373-F376 HydrophobicContact CG2-CD2 3.54Å; I373-F376 HydrophobicContact CG2-CE2 4.17Å; I373-F376 PolarHBondContact O-N 2.69Å; I373-F376 VanDerWaalsContact O-N 3.09Å; P374-F376 PolarHBondContact O-N 3.18Å; P374-F376 VanDerWaalsContact O-N 3.15Å; F376-L483 HydrophobicContact CD2-CD1 3.83Å; F376-L483 HydrophobicContact CE2-CD1 4.17Å; F376-L483 HydrophobicContact CG-CD1 4.2Å
377	Y	86.8	Confident	90.7	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.027	26%	0.256	C	S	.	.	S	Bend	trans	-130	99.8	169.9	-168.5	-99.9	0	0	0	108.2	N309 I311 L313 D314 A372 I373 G380 V381	N309-Y377 HydrophobicContact CB-CD2 4.2Å; I311-Y377 WeakPolarHBondContact O-CD2 3.46Å; L313-Y377 HydrophobicContact CB-CD2 4.16Å; L313-Y377 HydrophobicContact CB-CE2 3.89Å; L313-Y377 HydrophobicContact CD1-CD1 3.97Å; L313-Y377 HydrophobicContact CD1-CD2 3.97Å; L313-Y377 HydrophobicContact CD1-CE1 4.29Å; L313-Y377 HydrophobicContact CD1-CE2 4.31Å; L313-Y377 HydrophobicContact CD1-CG 3.79Å; L313-Y377 HydrophobicContact CG-CD2 4.01Å; L313-Y377 HydrophobicContact CG-CE2 4.25Å; L313-Y377 HydrophobicContact CG-CG 4.32Å; D314-Y377 VanDerWaalsContact CG-OH 3.31Å; D314-Y377 PolarHBondContact OD1-OH 3.47Å; D314-Y377 VanDerWaalsContact OD1-OH 3.06Å; D314-Y377 PolarHBondContact OD2-OH 2.9Å; D314-Y377 VanDerWaalsContact OD2-OH 3.05Å; A372-Y377 HydrophobicContact CB-CD1 3.83Å; A372-Y377 HydrophobicContact CB-CE1 4.45Å; I373-Y377 PolarHBondContact O-N 3.01Å; Y377-G380 WeakPolarHBondContact CE1-O 3.43Å; Y377-V381 HydrophobicContact CE1-CG2 4Å
378	R	78.5	Confident	90.7	Very high	130 Å²	130	44.4 Å²	44.4	49%	0.491	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-31.6	-158	-63.9	-178.2	-178.3	-164.9	-1	114.2	F304 G307 G308 N309 G380	F304-R378 VanDerWaalsContact CE2-NH2 3.33Å; F304-R378 PolarHBondContact O-NH2 3.18Å; G307-R378 PolarHBondContact O-NH1 3.17Å; G307-R378 VanDerWaalsContact O-NH1 3.08Å; G308-R378 PolarHBondContact O-NE 3.39Å; N309-R378 PolarHBondContact OD1-N 3.36Å; R378-G380 VanDerWaalsContact C-N 3.34Å
379	S	79.5	Confident	90.7	Very high	69 Å²	69	42 Å²	42	48%	0.483	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.1	-170.9	53	0	0	0	0	113.9	N387	S379-N387 PolarHBondContact O-ND2 3.07Å; S379-N387 PolarHBondContact O-OD1 3.38Å
380	G	89.3	Confident	90.6	Very high	5 Å²	5	42.7 Å²	42.7	5%	0.052	25%	0.249	C	C	.	.			trans	57.9	-166.1	-159.5	0	0	0	0	0	111.2	Y377 R378 Y388	Y377-G380 WeakPolarHBondContact CE1-O 3.43Å; R378-G380 VanDerWaalsContact C-N 3.34Å; G380-Y388 CarbonylContact C-O 3.59Å; G380-Y388 WeakPolarHBondContact CA-O 3.31Å
381	V	94.5	Very high	90.6	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.1	176.4	-179.1	0	0	0	0	109.5	R368 A369 A372 Y377 L383 N387 Y388	R368-V381 HydrophobicContact CB-CG1 4.47Å; R368-V381 HydrophobicContact CB-CG2 3.75Å; A369-V381 HydrophobicContact CB-CB 3.9Å; A369-V381 HydrophobicContact CB-CG1 4.11Å; A369-V381 HydrophobicContact CB-CG2 4.46Å; A372-V381 HydrophobicContact CB-CG2 4.21Å; Y377-V381 HydrophobicContact CE1-CG2 4Å; V381-L383 HydrophobicContact CG1-CD2 3.98Å; V381-L383 HydrophobicContact CG1-CG 4.24Å; V381-L383 PolarHBondContact O-N 3Å; V381-N387 PolarHBondContact N-OD1 3.47Å; V381-N387 PolarHBondContact O-OD1 3.04Å; V381-Y388 PolarHBondContact N-O 2.86Å; V381-Y388 PolarHBondContact O-N 3.41Å
382	S	94.9	Very high	90.4	Very high	81 Å²	81	42.9 Å²	42.9	57%	0.566	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	114.4	176.5	173.9	0	0	0	0	110.4	I386 N387	S382-I386 CarbonylContact C-O 3.33Å; S382-I386 WeakPolarHBondContact CA-O 3.44Å; S382-N387 PolarHBondContact N-OD1 2.97Å
383	L	93.8	Very high	90.3	Very high	20 Å²	20	43.3 Å²	43.3	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.1	170.3	-56.1	178.4	0	0	0	108.2	F356 D365 V366 A369 V381 G385 I386 Y388	F356-L383 HydrophobicContact CD1-CD1 4.48Å; F356-L383 HydrophobicContact CD2-CD1 4.5Å; F356-L383 HydrophobicContact CE1-CD1 3.93Å; F356-L383 HydrophobicContact CE2-CD1 3.95Å; F356-L383 HydrophobicContact CZ-CB 4.36Å; F356-L383 HydrophobicContact CZ-CD1 3.61Å; D365-L383 HydrophobicContact CB-CD2 3.77Å; V366-L383 HydrophobicContact CG2-CD1 4.43Å; A369-L383 HydrophobicContact CB-CD1 3.62Å; A369-L383 HydrophobicContact CB-CG 4.28Å; V381-L383 HydrophobicContact CG1-CD2 3.98Å; V381-L383 HydrophobicContact CG1-CG 4.24Å; V381-L383 PolarHBondContact O-N 3Å; L383-G385 PolarHBondContact O-N 3.32Å; L383-G385 VanDerWaalsContact O-N 3.13Å; L383-I386 PolarHBondContact N-O 3.17Å; L383-I386 PolarHBondContact O-N 3.38Å; L383-I386 VanDerWaalsContact O-O 3.12Å; L383-Y388 HydrophobicContact CB-CD2 3.85Å; L383-Y388 HydrophobicContact CB-CE2 3.81Å; L383-Y388 HydrophobicContact CD1-CD2 4.16Å; L383-Y388 HydrophobicContact CG-CD2 4.06Å; L383-Y388 HydrophobicContact CG-CE2 4.47Å
384	E	89.5	Confident	90.6	Very high	183 Å²	183	41.7 Å²	41.7	86%	0.855	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	35	178.1	-58.1	177.5	-176.1	0	0	113.7	I386	E384-I386 VanDerWaalsContact C-N 3.29Å; E384-I386 PolarHBondContact O-N 2.86Å
385	G	92	Very high	91.1	Very high	73 Å²	73	40.8 Å²	40.8	75%	0.753	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	0.7	179.5	0	0	0	0	0	115.2	L383	L383-G385 PolarHBondContact O-N 3.32Å; L383-G385 VanDerWaalsContact O-N 3.13Å
386	I	93.9	Very high	91.8	Very high	46 Å²	46	39.1 Å²	39.1	24%	0.236	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.5	175.1	-63.8	146.7	0	0	0	108.6	R347 S382 L383 E384 Y388	R347-I386 HydrophobicContact CG-CG2 4.32Å; S382-I386 CarbonylContact C-O 3.33Å; S382-I386 WeakPolarHBondContact CA-O 3.44Å; L383-I386 PolarHBondContact N-O 3.17Å; L383-I386 PolarHBondContact O-N 3.38Å; L383-I386 VanDerWaalsContact O-O 3.12Å; E384-I386 VanDerWaalsContact C-N 3.29Å; E384-I386 PolarHBondContact O-N 2.86Å; I386-Y388 HydrophobicContact CB-CD2 4.47Å; I386-Y388 HydrophobicContact CB-CE2 3.65Å; I386-Y388 HydrophobicContact CG2-CD2 4.18Å; I386-Y388 HydrophobicContact CG2-CE1 4.23Å; I386-Y388 HydrophobicContact CG2-CE2 3.53Å; I386-Y388 VanDerWaalsContact O-CD2 3.22Å; I386-Y388 WeakPolarHBondContact O-CD2 3.28Å; I386-Y388 WeakPolarHBondContact O-CE2 3.29Å
387	N	95.7	Very high	92.4	Very high	47 Å²	47	35.3 Å²	35.3	25%	0.251	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.2	177	-152.7	36.9	0	0	0	111.5	Q348 S379 V381 S382	Q348-N387 HydrophobicContact CB-CB 4.25Å; Q348-N387 VanDerWaalsContact CB-O 3.29Å; Q348-N387 WeakPolarHBondContact CB-O 3.28Å; Q348-N387 PolarHBondContact N-O 3.47Å; Q348-N387 PolarHBondContact OE1-ND2 2.94Å; S379-N387 PolarHBondContact O-ND2 3.07Å; S379-N387 PolarHBondContact O-OD1 3.38Å; V381-N387 PolarHBondContact N-OD1 3.47Å; V381-N387 PolarHBondContact O-OD1 3.04Å; S382-N387 PolarHBondContact N-OD1 2.97Å
388	Y	96.9	Very high	92.9	Very high	6 Å²	6	35 Å²	35	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.1	-177.6	-68.8	-87.3	0	0	0	112.4	A345 C346 R347 N354 F356 G380 V381 L383 I386	A345-Y388 HydrophobicContact CB-CD1 3.92Å; A345-Y388 HydrophobicContact CB-CG 4.32Å; C346-Y388 CarbonylContact O-C 3.57Å; C346-Y388 VanDerWaalsContact O-CA 3.3Å; C346-Y388 WeakPolarHBondContact O-CA 3.49Å; R347-Y388 HydrophobicContact CB-CE1 4.43Å; R347-Y388 HydrophobicContact CG-CD1 4.21Å; R347-Y388 HydrophobicContact CG-CE1 3.55Å; N354-Y388 HydrophobicContact CB-CE1 3.68Å; N354-Y388 PolarHBondContact ND2-OH 2.94Å; F356-Y388 HydrophobicContact CE2-CD1 4.07Å; F356-Y388 AromaticContact CE2-CE1 3.84Å; F356-Y388 HydrophobicContact CE2-CE1 3.84Å; F356-Y388 HydrophobicContact CE2-CE2 4.38Å; F356-Y388 HydrophobicContact CE2-CG 4.44Å; F356-Y388 HydrophobicContact CZ-CD1 4.32Å; F356-Y388 HydrophobicContact CZ-CD2 4.22Å; F356-Y388 AromaticContact CZ-CE1 3.81Å; F356-Y388 HydrophobicContact CZ-CE1 3.81Å; F356-Y388 AromaticContact CZ-CE2 3.69Å; F356-Y388 HydrophobicContact CZ-CE2 3.69Å; F356-Y388 AromaticContact CZ-CZ 3.47Å; F356-Y388 VanDerWaalsContact CZ-CZ 3.47Å; G380-Y388 CarbonylContact C-O 3.59Å; G380-Y388 WeakPolarHBondContact CA-O 3.31Å; V381-Y388 PolarHBondContact N-O 2.86Å; V381-Y388 PolarHBondContact O-N 3.41Å; L383-Y388 HydrophobicContact CB-CD2 3.85Å; L383-Y388 HydrophobicContact CB-CE2 3.81Å; L383-Y388 HydrophobicContact CD1-CD2 4.16Å; L383-Y388 HydrophobicContact CG-CD2 4.06Å; L383-Y388 HydrophobicContact CG-CE2 4.47Å; I386-Y388 HydrophobicContact CB-CD2 4.47Å; I386-Y388 HydrophobicContact CB-CE2 3.65Å; I386-Y388 HydrophobicContact CG2-CD2 4.18Å; I386-Y388 HydrophobicContact CG2-CE1 4.23Å; I386-Y388 HydrophobicContact CG2-CE2 3.53Å; I386-Y388 VanDerWaalsContact O-CD2 3.22Å; I386-Y388 WeakPolarHBondContact O-CD2 3.28Å; I386-Y388 WeakPolarHBondContact O-CE2 3.29Å
389	L	94.8	Very high	93.9	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	171.2	177.3	-52.9	177	0	0	0	109.4	C346 Q348 A369 P374 G391 I393	C346-L389 HydrophobicContact CB-CB 4.36Å; C346-L389 PolarHBondContact N-O 3.44Å; C346-L389 PolarHBondContact O-N 3.04Å; Q348-L389 HydrophobicContact CB-CD1 4.05Å; Q348-L389 HydrophobicContact CB-CD2 4.48Å; Q348-L389 HydrophobicContact CB-CG 4.02Å; Q348-L389 HydrophobicContact CG-CD1 4.03Å; Q348-L389 HydrophobicContact CG-CG 4.38Å; A369-L389 CarbonylContact O-C 3.5Å; A369-L389 VanDerWaalsContact O-C 3.24Å; P374-L389 HydrophobicContact CG-CB 3.86Å; P374-L389 HydrophobicContact CG-CD1 3.69Å; P374-L389 HydrophobicContact CG-CD2 3.98Å; P374-L389 HydrophobicContact CG-CG 4.02Å; L389-G391 PolarHBondContact O-N 3.2Å; L389-I393 HydrophobicContact CB-CD1 3.85Å; L389-I393 HydrophobicContact CD1-CD1 4.26Å
390	D	95.4	Very high	94.7	Very high	14 Å²	14	29.3 Å²	29.3	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	126.2	177.2	-170.3	-54.7	0	0	0	110.9	S268 C346 S370 S371 A372 I373 G392 I393	S268-D390 WeakPolarHBondContact CB-OD1 3.43Å; S268-D390 VanDerWaalsContact CB-OD2 3.25Å; S268-D390 WeakPolarHBondContact CB-OD2 3.39Å; S268-D390 PolarHBondContact OG-OD2 2.81Å; C346-D390 WeakPolarHBondContact CB-O 3.35Å; S370-D390 WeakPolarHBondContact O-CA 3.28Å; S370-D390 VanDerWaalsContact O-CG 3.27Å; S371-D390 WeakPolarHBondContact CA-OD2 3.26Å; A372-D390 PolarHBondContact O-N 3.11Å; I373-D390 HydrophobicContact CG1-CB 4.04Å; I373-D390 VanDerWaalsContact CG1-OD2 3.27Å; I373-D390 WeakPolarHBondContact CG1-OD2 3.42Å; D390-G392 PolarHBondContact O-N 3.42Å; D390-G392 WeakPolarHBondContact OD1-CA 3.4Å; D390-G392 PolarHBondContact OD1-N 3Å; D390-I393 WeakPolarHBondContact O-CD1 3.47Å; D390-I393 WeakPolarHBondContact O-CG1 3.44Å; D390-I393 PolarHBondContact O-N 2.79Å
391	G	96.4	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.5	-176.9	0	0	0	0	0	113.4	S370 L389 I393 S394 D395	S370-G391 PolarHBondContact O-N 3.45Å; L389-G391 PolarHBondContact O-N 3.2Å; G391-I393 PolarHBondContact O-N 2.86Å; G391-I393 VanDerWaalsContact O-N 3.17Å; G391-S394 PolarHBondContact O-N 3.22Å; G391-S394 VanDerWaalsContact O-N 3.14Å; G391-S394 PolarHBondContact O-OG 3.06Å; G391-D395 CarbonylContact O-C 3.52Å; G391-D395 VanDerWaalsContact O-C 3.26Å; G391-D395 PolarHBondContact O-N 3.06Å
392	G	93.2	Very high	95.3	Very high	9 Å²	9	29 Å²	29	9%	0.093	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-24.9	177.5	0	0	0	0	0	113.1	D390 H449	D390-G392 PolarHBondContact O-N 3.42Å; D390-G392 WeakPolarHBondContact OD1-CA 3.4Å; D390-G392 PolarHBondContact OD1-N 3Å; G392-H449 PolarHBondContact O-CE1 3.44Å; G392-H449 VanDerWaalsContact O-CE1 3.31Å; G392-H449 PolarHBondContact O-ND1 3.24Å
393	I	92.1	Very high	95.4	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-48.8	175.3	-61.7	161.6	0	0	0	110.6	C346 P374 L389 D390 G391 L445 H448 H449	C346-I393 HydrophobicContact CB-CB 4.13Å; C346-I393 HydrophobicContact CB-CD1 4.46Å; P374-I393 HydrophobicContact CG-CD1 3.62Å; L389-I393 HydrophobicContact CB-CD1 3.85Å; L389-I393 HydrophobicContact CD1-CD1 4.26Å; D390-I393 WeakPolarHBondContact O-CD1 3.47Å; D390-I393 WeakPolarHBondContact O-CG1 3.44Å; D390-I393 PolarHBondContact O-N 2.79Å; G391-I393 PolarHBondContact O-N 2.86Å; G391-I393 VanDerWaalsContact O-N 3.17Å; I393-L445 HydrophobicContact CD1-CD1 3.53Å; I393-L445 HydrophobicContact CD1-CD2 4.24Å; I393-L445 HydrophobicContact CD1-CG 3.78Å; I393-L445 HydrophobicContact CG1-CD1 4.12Å; I393-L445 HydrophobicContact CG1-CD2 3.91Å; I393-L445 HydrophobicContact CG1-CG 3.85Å; I393-L445 HydrophobicContact CG2-CD2 4.5Å; I393-L445 HydrophobicContact CG2-CG 3.91Å; I393-H448 PolarHBondContact O-CD2 3.08Å; I393-H449 VanDerWaalsContact O-CA 3.28Å; I393-H449 WeakPolarHBondContact O-CA 3.27Å
394	S	94.4	Very high	95.5	Very high	7 Å²	7	33.8 Å²	33.8	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-96.2	-34	-171.9	56.4	0	0	0	0	113.4	C346 Y351 P353 G391 S452	C346-S394 WeakPolarHBondContact CB-OG 3.27Å; Y351-S394 WeakPolarHBondContact O-CB 3.5Å; P353-S394 WeakPolarHBondContact CA-OG 3.1Å; P353-S394 WeakPolarHBondContact CB-OG 3.4Å; G391-S394 PolarHBondContact O-N 3.22Å; G391-S394 VanDerWaalsContact O-N 3.14Å; G391-S394 PolarHBondContact O-OG 3.06Å; S394-S452 VanDerWaalsContact C-OG 3.29Å; S394-S452 WeakPolarHBondContact O-CB 3.3Å; S394-S452 PolarHBondContact O-OG 2.85Å
395	D	96.6	Very high	95.8	Very high	7 Å²	7	27 Å²	27	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-159.3	92.7	175.7	-162.3	-22.4	0	0	0	111.8	T267 P353 Y355 G391 I397 P398 I456	T267-D395 WeakPolarHBondContact CG2-O 3.5Å; T267-D395 PolarHBondContact OG1-O 2.88Å; P353-D395 HydrophobicContact CB-CB 4.22Å; Y355-D395 PolarHBondContact OH-OD2 2.96Å; G391-D395 CarbonylContact O-C 3.52Å; G391-D395 VanDerWaalsContact O-C 3.26Å; G391-D395 PolarHBondContact O-N 3.06Å; D395-I397 VanDerWaalsContact C-N 3.31Å; D395-I397 PolarHBondContact O-N 2.77Å; D395-I397 PolarHBondContact OD1-N 3.47Å; D395-P398 VanDerWaalsContact OD1-CA 3.31Å; D395-P398 WeakPolarHBondContact OD1-CA 3.36Å; D395-P398 WeakPolarHBondContact OD2-CA 3.23Å; D395-I456 WeakPolarHBondContact OD1-CD1 3.29Å
396	A	95.6	Very high	95.9	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.041	13%	0.128	C	C	.	.	S	Bend	trans	-70.8	-23.3	178.8	0	0	0	0	0	114.1	E237 G238 Y453	E237-A396 WeakPolarHBondContact CA-O 3.45Å; G238-A396 PolarHBondContact N-O 3.47Å; A396-Y453 HydrophobicContact CB-CD2 4.03Å; A396-Y453 HydrophobicContact CB-CE2 4.14Å
397	I	97	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-142.3	90.3	-177.5	-37.4	179.9	0	0	0	107.5	V235 E237 D395 V399 V412 R414 Y453 I456	V235-I397 HydrophobicContact CG1-CG2 3.83Å; E237-I397 HydrophobicContact CB-CD1 4.2Å; E237-I397 HydrophobicContact CB-CG1 3.84Å; E237-I397 HydrophobicContact CB-CG2 4.47Å; E237-I397 HydrophobicContact CG-CD1 4.05Å; E237-I397 HydrophobicContact CG-CG1 3.73Å; D395-I397 VanDerWaalsContact C-N 3.31Å; D395-I397 PolarHBondContact O-N 2.77Å; D395-I397 PolarHBondContact OD1-N 3.47Å; I397-V399 HydrophobicContact CG2-CG1 3.92Å; I397-V399 PolarHBondContact O-N 2.89Å; I397-V412 HydrophobicContact CG2-CG1 3.47Å; I397-V412 VanDerWaalsContact CG2-CG1 3.47Å; I397-R414 HydrophobicContact CD1-CG 4.36Å; I397-Y453 HydrophobicContact CD1-CE2 4.26Å; I397-I456 HydrophobicContact CB-CG2 3.76Å; I397-I456 HydrophobicContact CD1-CG2 4.08Å; I397-I456 HydrophobicContact CG1-CG2 4.11Å
398	P	98	Very high	95.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.			trans	-74.4	51.9	-166.4	29.4	-37	0	0	0	115.2	V235 L265 Y355 D395 E401 A402	V235-P398 HydrophobicContact CG1-CG 3.95Å; L265-P398 HydrophobicContact CB-CB 4.27Å; L265-P398 HydrophobicContact CB-CG 3.61Å; L265-P398 HydrophobicContact CD2-CB 4.26Å; L265-P398 HydrophobicContact CD2-CG 4.49Å; Y355-P398 HydrophobicContact CE1-CB 3.73Å; D395-P398 VanDerWaalsContact OD1-CA 3.31Å; D395-P398 WeakPolarHBondContact OD1-CA 3.36Å; D395-P398 WeakPolarHBondContact OD2-CA 3.23Å; P398-E401 HydrophobicContact CB-CB 4.26Å; P398-A402 WeakPolarHBondContact O-CB 3.33Å; P398-A402 PolarHBondContact O-N 2.82Å
399	V	97.8	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.2	-35.2	179.7	-64.3	0	0	0	0	112.3	V235 I397 A402 A403 V412 I456 F459 I460	V235-V399 HydrophobicContact CG1-CG1 4.12Å; I397-V399 HydrophobicContact CG2-CG1 3.92Å; I397-V399 PolarHBondContact O-N 2.89Å; V399-A402 PolarHBondContact O-N 3.17Å; V399-A403 WeakPolarHBondContact O-CB 3.12Å; V399-A403 PolarHBondContact O-N 3.06Å; V399-V412 HydrophobicContact CG1-CG1 4.25Å; V399-V412 HydrophobicContact CG1-CG2 3.75Å; V399-I456 HydrophobicContact CG2-CG2 4.19Å; V399-F459 HydrophobicContact CB-CD1 4.06Å; V399-F459 HydrophobicContact CB-CE1 4.14Å; V399-F459 HydrophobicContact CG2-CB 4.48Å; V399-F459 HydrophobicContact CG2-CD1 3.49Å; V399-F459 VanDerWaalsContact CG2-CD1 3.49Å; V399-F459 HydrophobicContact CG2-CE1 4.03Å; V399-F459 HydrophobicContact CG2-CG 4.24Å; V399-I460 HydrophobicContact CG1-CD1 4.18Å; V399-I460 HydrophobicContact CG1-CG1 4.14Å; V399-I460 HydrophobicContact CG2-CD1 4.48Å; V399-I460 HydrophobicContact CG2-CG1 4.06Å
400	K	97.4	Very high	95.6	Very high	81 Å²	81	25.5 Å²	25.5	35%	0.352	13%	0.127	S	C	.	.	H	α-helix	trans	-67.1	-44.4	176.8	-69.8	-179	178.7	-178.2	0	110.3	A403 R404 D455 F459	K400-A403 PolarHBondContact O-N 2.92Å; K400-R404 WeakPolarHBondContact O-CB 3.39Å; K400-R404 PolarHBondContact O-N 3.28Å; K400-D455 IonicContact NZ-OD2 3.94Å; K400-F459 HydrophobicContact CG-CB 4.33Å; K400-F459 HydrophobicContact CG-CD1 4.36Å; K400-F459 HydrophobicContact CG-CD2 3.72Å; K400-F459 HydrophobicContact CG-CE2 4.03Å; K400-F459 HydrophobicContact CG-CG 3.89Å; K400-F459 HydrophobicContact CG-CZ 4.49Å
401	E	98	Very high	95.6	Very high	11 Å²	11	24.8 Å²	24.8	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-44.9	175.4	177.7	59.7	-161.9	0	0	111.4	L265 Y355 P398 A403 R404 Q405	L265-E401 HydrophobicContact CD2-CB 3.85Å; L265-E401 HydrophobicContact CD2-CG 3.51Å; Y355-E401 HydrophobicContact CD1-CB 4.32Å; Y355-E401 HydrophobicContact CD1-CG 3.77Å; Y355-E401 HydrophobicContact CD2-CB 4.41Å; Y355-E401 HydrophobicContact CD2-CG 3.76Å; Y355-E401 HydrophobicContact CE1-CB 3.74Å; Y355-E401 HydrophobicContact CE1-CG 3.71Å; Y355-E401 HydrophobicContact CE2-CB 3.85Å; Y355-E401 HydrophobicContact CE2-CG 3.71Å; Y355-E401 HydrophobicContact CG-CG 3.78Å; Y355-E401 VanDerWaalsContact CZ-CB 3.48Å; P398-E401 HydrophobicContact CB-CB 4.26Å; E401-A403 VanDerWaalsContact C-N 3.29Å; E401-A403 PolarHBondContact O-N 3.02Å; E401-R404 VanDerWaalsContact CD-NH2 3.27Å; E401-R404 CarbonylContact O-C 3.52Å; E401-R404 WeakPolarHBondContact O-CA 3.43Å; E401-R404 WeakPolarHBondContact O-CB 3.28Å; E401-R404 PolarHBondContact O-N 3.06Å; E401-R404 IonicContact OE1-CZ 3.17Å; E401-R404 IonicContact OE1-NE 3.81Å; E401-R404 IonicContact OE1-NH2 2.66Å; E401-R404 PolarHBondContact OE1-NH2 3.35Å; E401-R404 IonicContact OE2-CZ 2.81Å; E401-R404 VanDerWaalsContact OE2-CZ 3.31Å; E401-R404 IonicContact OE2-NE 2.7Å; E401-R404 PolarHBondContact OE2-NE 2.9Å; E401-R404 IonicContact OE2-NH2 2.85Å; E401-R404 PolarHBondContact OE2-NH2 3.21Å; E401-R404 VanDerWaalsContact OE2-NH2 3.08Å; E401-Q405 HydrophobicContact CG-CG 4.42Å; E401-Q405 WeakPolarHBondContact O-CG 3.45Å; E401-Q405 PolarHBondContact O-N 2.99Å; E401-Q405 WeakPolarHBondContact OE1-CG 3.46Å; E401-Q405 PolarHBondContact OE1-NE2 3.13Å
402	A	97.8	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.2	-41.8	177	0	0	0	0	0	112.3	A233 V235 L265 P398 V399 Q405 A407 L410	A233-A402 HydrophobicContact CB-CB 3.91Å; V235-A402 HydrophobicContact CG2-CB 3.81Å; L265-A402 HydrophobicContact CD1-CB 3.57Å; L265-A402 HydrophobicContact CD2-CB 3.88Å; L265-A402 HydrophobicContact CG-CB 4.31Å; P398-A402 WeakPolarHBondContact O-CB 3.33Å; P398-A402 PolarHBondContact O-N 2.82Å; V399-A402 PolarHBondContact O-N 3.17Å; A402-Q405 PolarHBondContact O-N 3.04Å; A402-A407 WeakPolarHBondContact O-CB 3.43Å; A402-A407 PolarHBondContact O-N 2.9Å; A402-A407 VanDerWaalsContact O-N 3.15Å; A402-L410 HydrophobicContact CB-CD2 3.26Å
403	A	96.7	Very high	95.9	Very high	27 Å²	27	24.4 Å²	24.4	22%	0.223	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-39.8	173.2	0	0	0	0	0	112.4	V399 K400 E401 Q405 G406 F459 L467	V399-A403 WeakPolarHBondContact O-CB 3.12Å; V399-A403 PolarHBondContact O-N 3.06Å; K400-A403 PolarHBondContact O-N 2.92Å; E401-A403 VanDerWaalsContact C-N 3.29Å; E401-A403 PolarHBondContact O-N 3.02Å; A403-Q405 VanDerWaalsContact C-N 3.28Å; A403-Q405 PolarHBondContact O-N 2.76Å; A403-G406 WeakPolarHBondContact O-CA 3.45Å; A403-G406 PolarHBondContact O-N 3.46Å; A403-F459 HydrophobicContact CB-CE1 4.39Å; A403-F459 HydrophobicContact CB-CZ 3.72Å; A403-L467 HydrophobicContact CB-CD1 4.46Å; A403-L467 HydrophobicContact CB-CD2 3.85Å
404	R	96.4	Very high	96	Very high	173 Å²	173	24 Å²	24	65%	0.653	12%	0.117	S	C	*	.	H	α-helix	trans	-61.6	-35.6	175.1	-166.6	-174.3	70.2	87.4	-2.8	112.1	K400 E401 G406	K400-R404 WeakPolarHBondContact O-CB 3.39Å; K400-R404 PolarHBondContact O-N 3.28Å; E401-R404 VanDerWaalsContact CD-NH2 3.27Å; E401-R404 CarbonylContact O-C 3.52Å; E401-R404 WeakPolarHBondContact O-CA 3.43Å; E401-R404 WeakPolarHBondContact O-CB 3.28Å; E401-R404 PolarHBondContact O-N 3.06Å; E401-R404 IonicContact OE1-CZ 3.17Å; E401-R404 IonicContact OE1-NE 3.81Å; E401-R404 IonicContact OE1-NH2 2.66Å; E401-R404 PolarHBondContact OE1-NH2 3.35Å; E401-R404 IonicContact OE2-CZ 2.81Å; E401-R404 VanDerWaalsContact OE2-CZ 3.31Å; E401-R404 IonicContact OE2-NE 2.7Å; E401-R404 PolarHBondContact OE2-NE 2.9Å; E401-R404 IonicContact OE2-NH2 2.85Å; E401-R404 PolarHBondContact OE2-NH2 3.21Å; E401-R404 VanDerWaalsContact OE2-NH2 3.08Å; R404-G406 PolarHBondContact O-N 2.89Å
405	Q	96	Very high	95.9	Very high	40 Å²	40	23.8 Å²	23.8	19%	0.187	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	6.1	172.9	-64.9	-64.1	-19.8	0	0	113.5	R231 L263 Y342 E401 A402 A403	R231-Q405 PolarHBondContact NH1-O 2.85Å; L263-Q405 HydrophobicContact CD1-CB 3.63Å; L263-Q405 HydrophobicContact CD2-CB 4.45Å; Y342-Q405 HydrophobicContact CE2-CG 4.25Å; E401-Q405 HydrophobicContact CG-CG 4.42Å; E401-Q405 WeakPolarHBondContact O-CG 3.45Å; E401-Q405 PolarHBondContact O-N 2.99Å; E401-Q405 WeakPolarHBondContact OE1-CG 3.46Å; E401-Q405 PolarHBondContact OE1-NE2 3.13Å; A402-Q405 PolarHBondContact O-N 3.04Å; A403-Q405 VanDerWaalsContact C-N 3.28Å; A403-Q405 PolarHBondContact O-N 2.76Å
406	G	93.9	Very high	95.3	Very high	30 Å²	30	24.2 Å²	24.2	31%	0.309	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	10.2	172.5	0	0	0	0	0	114.8	A403 R404 K408	A403-G406 WeakPolarHBondContact O-CA 3.45Å; A403-G406 PolarHBondContact O-N 3.46Å; R404-G406 PolarHBondContact O-N 2.89Å; G406-K408 PolarHBondContact O-N 2.91Å
407	A	94.9	Very high	94.1	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.025	12%	0.122	C	C	.	.			trans	-57.5	135.7	173.3	0	0	0	0	0	110.8	R231 A233 L263 A402 L410 L467	R231-A407 CarbonylContact O-C 3.43Å; R231-A407 WeakPolarHBondContact O-CA 3.24Å; A233-A407 HydrophobicContact CB-CB 3.64Å; L263-A407 HydrophobicContact CD1-CB 4.25Å; A402-A407 WeakPolarHBondContact O-CB 3.43Å; A402-A407 PolarHBondContact O-N 2.9Å; A402-A407 VanDerWaalsContact O-N 3.15Å; A407-L410 HydrophobicContact CB-CD2 4.45Å; A407-L467 VanDerWaalsContact O-CD1 3.23Å; A407-L467 WeakPolarHBondContact O-CD1 3.4Å
408	K	92.5	Very high	92.2	Very high	120 Å²	120	26 Å²	26	52%	0.522	13%	0.129	S	C	.	.	S	Bend	trans	-105.1	-21.1	174.2	-57.9	-56	-179.8	-170.2	0	112	R231 G406 R468	R231-K408 PolarHBondContact O-N 3.13Å; G406-K408 PolarHBondContact O-N 2.91Å; K408-R468 PolarHBondContact O-N 3.37Å
409	T	92.4	Very high	90	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.8	174.8	-57	0	0	0	0	109.1	P229 R231 I232 A233 R468 F470 L512	P229-T409 WeakPolarHBondContact O-CB 3.37Å; P229-T409 PolarHBondContact O-OG1 3.4Å; R231-T409 PolarHBondContact O-N 3.3Å; I232-T409 WeakPolarHBondContact CA-O 3.42Å; I232-T409 HydrophobicContact CG2-CG2 4.33Å; A233-T409 PolarHBondContact N-O 3.13Å; T409-R468 CarbonylContact C-O 3.36Å; T409-R468 WeakPolarHBondContact CA-O 3.41Å; T409-R468 HydrophobicContact CG2-CB 4.27Å; T409-R468 PolarHBondContact OG1-NE 3.15Å; T409-R468 VanDerWaalsContact OG1-NE 3.11Å; T409-R468 PolarHBondContact OG1-NH2 3.22Å; T409-F470 HydrophobicContact CG2-CD2 3.79Å; T409-F470 HydrophobicContact CG2-CE2 3.64Å; T409-L512 HydrophobicContact CG2-CD2 3.9Å
410	L	95.6	Very high	87.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.2	177.7	-66.5	141.3	0	0	0	108.6	A233 V235 A402 A407 V412 L467 R468 I469 F470	A233-L410 HydrophobicContact CB-CD2 3.9Å; A233-L410 CarbonylContact O-C 3.14Å; A233-L410 WeakPolarHBondContact O-CA 3.41Å; V235-L410 HydrophobicContact CG2-CD2 3.7Å; A402-L410 HydrophobicContact CB-CD2 3.26Å; A407-L410 HydrophobicContact CB-CD2 4.45Å; L410-V412 HydrophobicContact CB-CG2 4.08Å; L410-L467 HydrophobicContact CD1-CD1 3.58Å; L410-L467 HydrophobicContact CD1-CD2 3.58Å; L410-L467 HydrophobicContact CD1-CG 3.65Å; L410-L467 HydrophobicContact CG-CD1 4.35Å; L410-R468 PolarHBondContact N-O 3.2Å; L410-I469 HydrophobicContact CB-CG1 4.22Å; L410-I469 HydrophobicContact CB-CG2 4.34Å; L410-I469 HydrophobicContact CD1-CD1 3.9Å; L410-I469 HydrophobicContact CD1-CG1 3.66Å; L410-F470 PolarHBondContact O-N 2.87Å
411	V	96.1	Very high	85.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.4	162.2	179	0	0	0	0	106.6	A233 L234 V235 F261 F470 I472 F504 L512	A233-V411 PolarHBondContact O-N 3.43Å; L234-V411 CarbonylContact C-O 3.55Å; L234-V411 WeakPolarHBondContact CA-O 3.44Å; L234-V411 HydrophobicContact CD1-CB 4.13Å; L234-V411 HydrophobicContact CD1-CG1 3.98Å; V235-V411 PolarHBondContact N-O 2.87Å; F261-V411 HydrophobicContact CE1-CB 3.79Å; F261-V411 HydrophobicContact CE1-CG1 4.47Å; F261-V411 HydrophobicContact CE1-CG2 3.67Å; F261-V411 HydrophobicContact CZ-CB 4.22Å; F261-V411 HydrophobicContact CZ-CG1 4.42Å; F261-V411 HydrophobicContact CZ-CG2 4.26Å; V411-F470 CarbonylContact C-O 3.56Å; V411-F470 WeakPolarHBondContact CA-O 3.49Å; V411-I472 HydrophobicContact CG1-CD1 3.98Å; V411-I472 HydrophobicContact CG1-CG1 4.45Å; V411-F504 HydrophobicContact CB-CZ 4.42Å; V411-F504 HydrophobicContact CG1-CE1 4.27Å; V411-F504 HydrophobicContact CG1-CE2 4.1Å; V411-F504 HydrophobicContact CG1-CZ 3.72Å; V411-F504 HydrophobicContact CG2-CZ 3.75Å; V411-L512 HydrophobicContact CG2-CD1 3.66Å
412	V	97.3	Very high	82.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.1	-172.7	-174.7	0	0	0	0	108.8	V235 I397 V399 L410 R414 I469 F470 E471 I472	V235-V412 HydrophobicContact CB-CG1 4.47Å; V235-V412 HydrophobicContact CB-CG2 4.25Å; V235-V412 CarbonylContact O-C 3.26Å; V235-V412 WeakPolarHBondContact O-CA 3.4Å; I397-V412 HydrophobicContact CG2-CG1 3.47Å; I397-V412 VanDerWaalsContact CG2-CG1 3.47Å; V399-V412 HydrophobicContact CG1-CG1 4.25Å; V399-V412 HydrophobicContact CG1-CG2 3.75Å; L410-V412 HydrophobicContact CB-CG2 4.08Å; V412-R414 HydrophobicContact CG1-CG 3.99Å; V412-I469 HydrophobicContact CG2-CG2 3.69Å; V412-F470 PolarHBondContact N-O 2.92Å; V412-E471 HydrophobicContact CB-CG 4.46Å; V412-E471 CarbonylContact O-C 3.57Å; V412-E471 WeakPolarHBondContact O-CA 3.41Å; V412-I472 PolarHBondContact O-N 2.81Å
413	I	97.3	Very high	80.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.1	173.8	-53.2	174.5	0	0	0	108.7	L234 V235 E237 F245 T246 V249 L250 I472	L234-I413 HydrophobicContact CD1-CD1 3.95Å; L234-I413 HydrophobicContact CD1-CG1 4.17Å; V235-I413 PolarHBondContact O-N 3.14Å; E237-I413 WeakPolarHBondContact CB-O 3.28Å; E237-I413 PolarHBondContact N-O 3.12Å; F245-I413 HydrophobicContact CD1-CG2 4.3Å; F245-I413 HydrophobicContact CE1-CG2 4.08Å; T246-I413 HydrophobicContact CG2-CB 4.31Å; T246-I413 HydrophobicContact CG2-CD1 4.29Å; T246-I413 HydrophobicContact CG2-CG2 3.9Å; V249-I413 HydrophobicContact CB-CD1 4.11Å; V249-I413 HydrophobicContact CB-CG2 4.48Å; V249-I413 HydrophobicContact CG1-CD1 3.56Å; V249-I413 HydrophobicContact CG1-CG1 4.19Å; V249-I413 HydrophobicContact CG2-CG2 4.26Å; L250-I413 HydrophobicContact CD2-CD1 3.54Å; L250-I413 HydrophobicContact CG-CD1 4.04Å; I413-I472 CarbonylContact C-O 3.55Å; I413-I472 WeakPolarHBondContact CA-O 3.45Å; I413-I472 HydrophobicContact CG1-CB 4.31Å; I413-I472 HydrophobicContact CG1-CD1 4.26Å
414	R	94.7	Very high	78.2	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	22%	0.216	C	C	.	.			trans	-106.6	150.4	-178.7	-59.7	-178.4	60.5	174.2	-3.2	111.1	E237 F245 I397 V412 S418 Q457 E471 I472 P474	E237-R414 WeakPolarHBondContact OE2-CA 3.47Å; E237-R414 VanDerWaalsContact OE2-CB 3.26Å; E237-R414 WeakPolarHBondContact OE2-CB 3.27Å; F245-R414 VanDerWaalsContact CD1-O 3.28Å; F245-R414 WeakPolarHBondContact CD1-O 3.5Å; F245-R414 VanDerWaalsContact CE1-O 3.25Å; F245-R414 WeakPolarHBondContact CE1-O 3.25Å; I397-R414 HydrophobicContact CD1-CG 4.36Å; V412-R414 HydrophobicContact CG1-CG 3.99Å; R414-S418 PolarHBondContact NH1-O 2.82Å; R414-Q457 VanDerWaalsContact CZ-OE1 3.3Å; R414-Q457 VanDerWaalsContact NH2-CD 3.25Å; R414-E471 WeakPolarHBondContact CD-OE1 3.33Å; R414-E471 IonicContact CZ-OE1 3.85Å; R414-E471 IonicContact NE-OE1 3.74Å; R414-E471 IonicContact NH1-OE1 3.84Å; R414-E471 PolarHBondContact NH1-OE1 3.16Å; R414-I472 PolarHBondContact N-O 2.76Å; R414-P474 WeakPolarHBondContact O-CD 3.38Å
415	T	91.5	Very high	75.9	Confident	1 Å²	1	45 Å²	45	1%	0.006	22%	0.222	C	C	.	.	S	Bend	trans	-102.4	-2.7	175.6	66.8	0	0	0	0	112.7	E237 R242 L478	E237-T415 PolarHBondContact OE2-N 3.45Å; R242-T415 HydrophobicContact CB-CG2 4.26Å; T415-L478 WeakPolarHBondContact O-CD1 3.38Å
416	V	84.8	Confident	73.7	Confident	16 Å²	16	48.7 Å²	48.7	10%	0.097	23%	0.234	C	C	.	.	S	Bend	trans	-124.1	155.3	173.4	-58.3	0	0	0	0	110.6	Y453	V416-Y453 WeakPolarHBondContact CG2-OH 3.28Å
417	P	70.3	Confident	71.6	Confident	19 Å²	19	47.9 Å²	47.9	12%	0.123	22%	0.222	C	C	.	.			trans	-58.5	147.7	174.2	-23.5	34.6	0	0	0	112.1	Q419 M420 P477	P417-Q419 PolarHBondContact O-N 3Å; P417-Q419 VanDerWaalsContact O-N 3.1Å; P417-M420 PolarHBondContact O-N 3.34Å; P417-P477 HydrophobicContact CG-CG 4.19Å
418	S	57.2	Low	69.6	Low	23 Å²	23	55.5 Å²	55.5	16%	0.161	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.4	-172.8	57.1	0	0	0	0	114.9	R414 Y473	R414-S418 PolarHBondContact NH1-O 2.82Å; S418-Y473 WeakPolarHBondContact OG-CE2 3.24Å; S418-Y473 VanDerWaalsContact OG-CZ 3.3Å; S418-Y473 PolarHBondContact OG-OH 2.98Å
419	Q	52	Low	67.7	Low	111 Å²	111	59.5 Å²	59.5	52%	0.519	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	5.3	-174.5	-59.9	-171.4	0.9	0	0	114.8	S64 P417 Y421	S64-Q419 PolarHBondContact OG-NE2 3.42Å; S64-Q419 PolarHBondContact OG-OE1 3.45Å; P417-Q419 PolarHBondContact O-N 3Å; P417-Q419 VanDerWaalsContact O-N 3.1Å; Q419-Y421 PolarHBondContact O-N 2.86Å
420	M	49.8	Very low	65.9	Low	77 Å²	77	62 Å²	62	38%	0.379	28%	0.279	S	S	.	.			trans	-88.5	110.8	-175.4	-169.2	169	-83.3	0	0	111.4	P417 Y422 P477	P417-M420 PolarHBondContact O-N 3.34Å; M420-Y422 PolarHBondContact O-N 2.88Å; M420-P477 HydrophobicContact CE-CG 3.86Å
421	Y	48.3	Very low	63.9	Low	130 Å²	130	67.2 Å²	67.2	51%	0.51	30%	0.303	S	S	.	.			trans	-70.1	111.2	162.3	-69.9	-84	0	0	0	108.2	Q419 T423	Q419-Y421 PolarHBondContact O-N 2.86Å; Y421-T423 PolarHBondContact O-N 3.02Å
422	Y	46.3	Very low	61.9	Low	104 Å²	104	77.8 Å²	77.8	41%	0.408	34%	0.343	S	S	.	.			trans	-65.6	101.6	170.3	-170.7	-100.6	0	0	0	108.4	M420 P424	M420-Y422 PolarHBondContact O-N 2.88Å; Y422-P424 HydrophobicContact CD1-CG 4.22Å; Y422-P424 HydrophobicContact CE1-CB 4Å; Y422-P424 HydrophobicContact CE1-CG 3.7Å
423	T	44.9	Very low	59.7	Low	92 Å²	92	86.9 Å²	86.9	56%	0.564	38%	0.378	S	S	*	.			trans	-114.5	105.1	162.1	38.1	0	0	0	0	106.6	Y421 Q425	Y421-T423 PolarHBondContact O-N 3.02Å; T423-Q425 PolarHBondContact O-N 2.87Å
424	P	50.9	Low	57.5	Low	10 Å²	10	89 Å²	89	7%	0.065	39%	0.389	C	S	.	.			trans	-64.1	98.7	172.2	19.4	-21.3	0	0	0	108.3	Y422 W426 F427 V446 E450	Y422-P424 HydrophobicContact CD1-CG 4.22Å; Y422-P424 HydrophobicContact CE1-CB 4Å; Y422-P424 HydrophobicContact CE1-CG 3.7Å; P424-W426 VanDerWaalsContact CB-CD1 3.45Å; P424-W426 HydrophobicContact CB-CD2 4.35Å; P424-W426 HydrophobicContact CB-CG 4.18Å; P424-W426 HydrophobicContact CB-CZ2 4.41Å; P424-W426 PolarHBondContact O-N 3.44Å; P424-F427 HydrophobicContact CB-CB 4.31Å; P424-F427 HydrophobicContact CG-CB 4.07Å; P424-F427 VanDerWaalsContact O-CB 3.23Å; P424-F427 WeakPolarHBondContact O-CB 3.26Å; P424-F427 PolarHBondContact O-N 2.72Å; P424-V446 HydrophobicContact CG-CG1 4.39Å; P424-E450 WeakPolarHBondContact CD-OE1 3.33Å; P424-E450 WeakPolarHBondContact CG-OE1 3.28Å
425	Q	47.4	Very low	55.4	Low	167 Å²	167	93 Å²	93	78%	0.78	43%	0.43	S	S	*	.	H	α-helix	trans	-56.4	-21.9	177.2	-65.9	-176.6	-6.9	0	0	112.6	T423 F427	T423-Q425 PolarHBondContact O-N 2.87Å; Q425-F427 VanDerWaalsContact C-N 3.27Å; Q425-F427 PolarHBondContact O-N 2.62Å
426	W	49.4	Very low	53.8	Low	119 Å²	119	97.8 Å²	97.8	45%	0.451	46%	0.455	S	S	.	.	H	α-helix	trans	-66	-28	172.5	68.9	-97.6	0	0	0	113	P424 R429 M430 V446	P424-W426 VanDerWaalsContact CB-CD1 3.45Å; P424-W426 HydrophobicContact CB-CD2 4.35Å; P424-W426 HydrophobicContact CB-CG 4.18Å; P424-W426 HydrophobicContact CB-CZ2 4.41Å; P424-W426 PolarHBondContact O-N 3.44Å; W426-R429 WeakPolarHBondContact O-CB 3.47Å; W426-R429 PolarHBondContact O-N 2.79Å; W426-R429 VanDerWaalsContact O-N 3.12Å; W426-M430 HydrophobicContact CE3-CG 4.37Å; W426-M430 HydrophobicContact CE3-SD 3.63Å; W426-M430 HydrophobicContact CZ3-CE 4.07Å; W426-M430 HydrophobicContact CZ3-SD 3.43Å; W426-M430 WeakPolarHBondContact CZ3-SD 3.47Å; W426-M430 PolarHBondContact O-N 3.31Å; W426-V446 HydrophobicContact CH2-CG2 4.2Å
427	F	50.1	Low	52.6	Low	13 Å²	13	102 Å²	102	6%	0.057	49%	0.486	C	S	.	.	H	α-helix	trans	-67.9	-43.5	-179.8	-154.9	-102.1	0	0	0	111.6	P424 Q425 R429 M430 E431 V443 V446	P424-F427 HydrophobicContact CB-CB 4.31Å; P424-F427 HydrophobicContact CG-CB 4.07Å; P424-F427 VanDerWaalsContact O-CB 3.23Å; P424-F427 WeakPolarHBondContact O-CB 3.26Å; P424-F427 PolarHBondContact O-N 2.72Å; Q425-F427 VanDerWaalsContact C-N 3.27Å; Q425-F427 PolarHBondContact O-N 2.62Å; F427-R429 PolarHBondContact O-N 2.85Å; F427-R429 VanDerWaalsContact O-N 3.16Å; F427-M430 CarbonylContact O-C 3.53Å; F427-M430 PolarHBondContact O-N 3.17Å; F427-E431 PolarHBondContact O-N 3.06Å; F427-V443 HydrophobicContact CZ-CB 4.33Å; F427-V443 HydrophobicContact CZ-CG1 3.92Å; F427-V446 HydrophobicContact CD1-CG1 4.44Å; F427-V446 HydrophobicContact CD2-CB 3.99Å; F427-V446 HydrophobicContact CD2-CG1 3.52Å; F427-V446 HydrophobicContact CD2-CG2 4.13Å; F427-V446 HydrophobicContact CE1-CG1 4.31Å; F427-V446 HydrophobicContact CE2-CB 3.35Å; F427-V446 HydrophobicContact CE2-CG1 3.38Å; F427-V446 HydrophobicContact CE2-CG2 3.66Å; F427-V446 HydrophobicContact CG-CG1 4.05Å; F427-V446 HydrophobicContact CZ-CB 3.74Å; F427-V446 HydrophobicContact CZ-CG1 3.78Å; F427-V446 HydrophobicContact CZ-CG2 4.5Å
428	K	53.1	Low	52.3	Low	162 Å²	162	105.2 Å²	105.2	70%	0.704	51%	0.509	S	S	*	.	H	α-helix	trans	-57.7	-28.9	170.5	-76.6	-170.4	175.1	-176.8	0	113
429	R	52.9	Low	52.8	Low	204 Å²	204	106.7 Å²	106.7	77%	0.77	51%	0.514	S	S	*	.	H	α-helix	trans	-78.3	-35.9	175.9	-118.3	176.6	-172.9	160.9	2.7	112.1	W426 F427 E431	W426-R429 WeakPolarHBondContact O-CB 3.47Å; W426-R429 PolarHBondContact O-N 2.79Å; W426-R429 VanDerWaalsContact O-N 3.12Å; F427-R429 PolarHBondContact O-N 2.85Å; F427-R429 VanDerWaalsContact O-N 3.16Å; R429-E431 VanDerWaalsContact C-N 3.33Å
430	M	54.1	Low	53.9	Low	53 Å²	53	105.3 Å²	105.3	26%	0.261	51%	0.508	S	S	.	.	H	α-helix	trans	-76.4	-18.1	175.9	-93.9	-177	56.5	0	0	113.4	W426 F427 R432 W433 L434 L439 L442	W426-M430 HydrophobicContact CE3-CG 4.37Å; W426-M430 HydrophobicContact CE3-SD 3.63Å; W426-M430 HydrophobicContact CZ3-CE 4.07Å; W426-M430 HydrophobicContact CZ3-SD 3.43Å; W426-M430 WeakPolarHBondContact CZ3-SD 3.47Å; W426-M430 PolarHBondContact O-N 3.31Å; F427-M430 CarbonylContact O-C 3.53Å; F427-M430 PolarHBondContact O-N 3.17Å; M430-R432 PolarHBondContact O-N 3.08Å; M430-W433 WeakPolarHBondContact O-CA 3.42Å; M430-W433 PolarHBondContact O-N 3.25Å; M430-L434 PolarHBondContact O-N 2.74Å; M430-L439 HydrophobicContact CE-CD1 4.28Å; M430-L442 HydrophobicContact CE-CD2 4.45Å
431	E	54.8	Low	55.2	Low	109 Å²	109	105.3 Å²	105.3	51%	0.509	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-49.6	-33.4	175.5	-87.3	-179.2	173.2	0	0	113.2	F427 R429 W433 L434	F427-E431 PolarHBondContact O-N 3.06Å; R429-E431 VanDerWaalsContact C-N 3.33Å; E431-W433 VanDerWaalsContact C-N 3.27Å; E431-W433 PolarHBondContact O-N 3.26Å; E431-L434 HydrophobicContact CB-CD1 3.93Å; E431-L434 HydrophobicContact CG-CD1 3.59Å; E431-L434 WeakPolarHBondContact O-CB 3.38Å; E431-L434 WeakPolarHBondContact O-CG 3.5Å; E431-L434 PolarHBondContact O-N 2.74Å
432	R	52.5	Low	56.5	Low	222 Å²	222	102.2 Å²	102.2	84%	0.838	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-70.4	-18.4	178.6	-64.9	178.4	-179.7	173.3	-0.8	114.6	M430	M430-R432 PolarHBondContact O-N 3.08Å
433	W	51.7	Low	58	Low	192 Å²	192	97.4 Å²	97.4	73%	0.727	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-105.2	-1.2	-179.1	-64.4	57	0	0	0	111.5	M430 E431 G435 D436	M430-W433 WeakPolarHBondContact O-CA 3.42Å; M430-W433 PolarHBondContact O-N 3.25Å; E431-W433 VanDerWaalsContact C-N 3.27Å; E431-W433 PolarHBondContact O-N 3.26Å; W433-G435 PolarHBondContact O-N 2.66Å; W433-G435 VanDerWaalsContact O-N 3.14Å; W433-D436 PolarHBondContact O-N 2.7Å
434	L	51.4	Low	59.8	Low	45 Å²	45	95.9 Å²	95.9	24%	0.236	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.4	-178.3	-68.4	178.4	0	0	0	115.3	M430 E431 D436 V443	M430-L434 PolarHBondContact O-N 2.74Å; E431-L434 HydrophobicContact CB-CD1 3.93Å; E431-L434 HydrophobicContact CG-CD1 3.59Å; E431-L434 WeakPolarHBondContact O-CB 3.38Å; E431-L434 WeakPolarHBondContact O-CG 3.5Å; E431-L434 PolarHBondContact O-N 2.74Å; L434-D436 PolarHBondContact O-N 2.75Å; L434-V443 HydrophobicContact CD2-CB 4.11Å; L434-V443 HydrophobicContact CD2-CG1 3.91Å; L434-V443 HydrophobicContact CD2-CG2 3.06Å
435	G	50.2	Low	61.5	Low	83 Å²	83	96.6 Å²	96.6	86%	0.856	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.5	174.2	0	0	0	0	0	113.3	W433	W433-G435 PolarHBondContact O-N 2.66Å; W433-G435 VanDerWaalsContact O-N 3.14Å
436	D	57.2	Low	63	Low	102 Å²	102	89.2 Å²	89.2	55%	0.545	45%	0.445	S	S	.	.	S	Bend	trans	-84.9	113.3	-179.9	-125.5	-17.2	0	0	0	110.7	W433 L434 S438 L439	W433-D436 PolarHBondContact O-N 2.7Å; L434-D436 PolarHBondContact O-N 2.75Å; D436-S438 PolarHBondContact O-N 2.72Å; D436-L439 PolarHBondContact O-N 3.16Å
437	S	59.9	Low	64.7	Low	106 Å²	106	88.2 Å²	88.2	74%	0.741	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-55.5	-22.2	-174.8	58.7	0	0	0	0	114.2	L439	S437-L439 VanDerWaalsContact C-N 3.29Å; S437-L439 PolarHBondContact O-N 3.11Å
438	S	64.1	Low	66.5	Low	86 Å²	86	90.5 Å²	90.5	60%	0.601	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-66.7	-25	178.6	64.5	0	0	0	0	114.1	D436	D436-S438 PolarHBondContact O-N 2.72Å
439	L	68.1	Low	68.2	Low	53 Å²	53	84.8 Å²	84.8	28%	0.277	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-95	-11.4	-177.5	-63.4	179.5	0	0	0	113.6	M430 D436 S437 P441 L442 V443	M430-L439 HydrophobicContact CE-CD1 4.28Å; D436-L439 PolarHBondContact O-N 3.16Å; S437-L439 VanDerWaalsContact C-N 3.29Å; S437-L439 PolarHBondContact O-N 3.11Å; L439-P441 VanDerWaalsContact C-CD 3.41Å; L439-P441 VanDerWaalsContact C-N 3.33Å; L439-L442 WeakPolarHBondContact O-CB 3.48Å; L439-L442 PolarHBondContact O-N 2.9Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.33Å; L439-V443 PolarHBondContact O-N 2.94Å
440	Q	74.6	Confident	69.7	Low	82 Å²	82	77.5 Å²	77.5	38%	0.383	41%	0.407	S	S	.	.	H	α-helix	trans	-52.2	-40.2	-175.8	-166.7	64	44.8	0	0	114.4	L442 V443 N444	Q440-L442 VanDerWaalsContact C-N 3.34Å; Q440-L442 PolarHBondContact O-N 2.61Å; Q440-V443 WeakPolarHBondContact O-CB 3.42Å; Q440-V443 PolarHBondContact O-N 2.9Å; Q440-N444 PolarHBondContact NE2-OD1 3.14Å; Q440-N444 VanDerWaalsContact O-CG 3.25Å; Q440-N444 PolarHBondContact O-N 3.39Å; Q440-N444 PolarHBondContact O-OD1 2.96Å
441	P	76.8	Confident	71.4	Confident	77 Å²	77	78.6 Å²	78.6	50%	0.5	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-37.5	176.8	-24.2	35.7	0	0	0	113.6	L439 V443 L445	L439-P441 VanDerWaalsContact C-CD 3.41Å; L439-P441 VanDerWaalsContact C-N 3.33Å; P441-V443 VanDerWaalsContact C-N 3.3Å; P441-L445 WeakPolarHBondContact O-CB 2.98Å; P441-L445 PolarHBondContact O-N 3.24Å; P441-L445 VanDerWaalsContact O-N 3.16Å
442	L	76.1	Confident	73.2	Confident	65 Å²	65	74.3 Å²	74.3	34%	0.34	40%	0.398	S	S	.	.	H	α-helix	trans	-68.4	-35.3	177.6	-175.4	66.7	0	0	0	111	M430 L439 Q440 L445 V446	M430-L442 HydrophobicContact CE-CD2 4.45Å; L439-L442 WeakPolarHBondContact O-CB 3.48Å; L439-L442 PolarHBondContact O-N 2.9Å; Q440-L442 VanDerWaalsContact C-N 3.34Å; Q440-L442 PolarHBondContact O-N 2.61Å; L442-L445 WeakPolarHBondContact O-CB 3.22Å; L442-L445 PolarHBondContact O-N 3.38Å; L442-V446 WeakPolarHBondContact O-CG2 3.41Å; L442-V446 PolarHBondContact O-N 3.33Å
443	V	77.1	Confident	75	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-67.5	-47.5	179.9	176.8	0	0	0	0	110.4	F427 L434 L439 Q440 P441 L445 V446 Q447	F427-V443 HydrophobicContact CZ-CB 4.33Å; F427-V443 HydrophobicContact CZ-CG1 3.92Å; L434-V443 HydrophobicContact CD2-CB 4.11Å; L434-V443 HydrophobicContact CD2-CG1 3.91Å; L434-V443 HydrophobicContact CD2-CG2 3.06Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.33Å; L439-V443 PolarHBondContact O-N 2.94Å; Q440-V443 WeakPolarHBondContact O-CB 3.42Å; Q440-V443 PolarHBondContact O-N 2.9Å; P441-V443 VanDerWaalsContact C-N 3.3Å; V443-L445 VanDerWaalsContact C-N 3.26Å; V443-L445 PolarHBondContact O-N 2.91Å; V443-V446 PolarHBondContact O-N 2.76Å; V443-Q447 WeakPolarHBondContact O-CG 3.36Å; V443-Q447 PolarHBondContact O-N 3.26Å
444	N	84.1	Confident	76.8	Confident	61 Å²	61	62.5 Å²	62.5	33%	0.326	35%	0.354	S	S	.	.	H	α-helix	trans	-58.2	-41.9	175.8	-65.7	-7.2	0	0	0	111	Y351 Q440 Q447 H448	Y351-N444 HydrophobicContact CE2-CB 4.24Å; Q440-N444 PolarHBondContact NE2-OD1 3.14Å; Q440-N444 VanDerWaalsContact O-CG 3.25Å; Q440-N444 PolarHBondContact O-N 3.39Å; Q440-N444 PolarHBondContact O-OD1 2.96Å; N444-Q447 PolarHBondContact O-N 3.33Å; N444-H448 VanDerWaalsContact O-CB 3.29Å; N444-H448 WeakPolarHBondContact O-CB 3.47Å; N444-H448 PolarHBondContact O-N 3.05Å
445	L	84.9	Confident	78.7	Confident	24 Å²	24	63.4 Å²	63.4	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-46.7	176.9	179.8	161	0	0	0	112.3	P374 I393 P441 L442 V443 H448 H449	P374-L445 HydrophobicContact CB-CD1 3.52Å; P374-L445 HydrophobicContact CG-CD1 3.44Å; P374-L445 VanDerWaalsContact CG-CD1 3.44Å; I393-L445 HydrophobicContact CD1-CD1 3.53Å; I393-L445 HydrophobicContact CD1-CD2 4.24Å; I393-L445 HydrophobicContact CD1-CG 3.78Å; I393-L445 HydrophobicContact CG1-CD1 4.12Å; I393-L445 HydrophobicContact CG1-CD2 3.91Å; I393-L445 HydrophobicContact CG1-CG 3.85Å; I393-L445 HydrophobicContact CG2-CD2 4.5Å; I393-L445 HydrophobicContact CG2-CG 3.91Å; P441-L445 WeakPolarHBondContact O-CB 2.98Å; P441-L445 PolarHBondContact O-N 3.24Å; P441-L445 VanDerWaalsContact O-N 3.16Å; L442-L445 WeakPolarHBondContact O-CB 3.22Å; L442-L445 PolarHBondContact O-N 3.38Å; V443-L445 VanDerWaalsContact C-N 3.26Å; V443-L445 PolarHBondContact O-N 2.91Å; L445-H448 PolarHBondContact O-N 2.88Å; L445-H449 WeakPolarHBondContact O-CB 3.37Å; L445-H449 PolarHBondContact O-N 2.87Å
446	V	80.8	Confident	80.8	Confident	13 Å²	13	59.5 Å²	59.5	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-42.9	179.5	174	0	0	0	0	111.2	P424 W426 F427 L442 V443 H448 H449 E450	P424-V446 HydrophobicContact CG-CG1 4.39Å; W426-V446 HydrophobicContact CH2-CG2 4.2Å; F427-V446 HydrophobicContact CD1-CG1 4.44Å; F427-V446 HydrophobicContact CD2-CB 3.99Å; F427-V446 HydrophobicContact CD2-CG1 3.52Å; F427-V446 HydrophobicContact CD2-CG2 4.13Å; F427-V446 HydrophobicContact CE1-CG1 4.31Å; F427-V446 HydrophobicContact CE2-CB 3.35Å; F427-V446 HydrophobicContact CE2-CG1 3.38Å; F427-V446 HydrophobicContact CE2-CG2 3.66Å; F427-V446 HydrophobicContact CG-CG1 4.05Å; F427-V446 HydrophobicContact CZ-CB 3.74Å; F427-V446 HydrophobicContact CZ-CG1 3.78Å; F427-V446 HydrophobicContact CZ-CG2 4.5Å; L442-V446 WeakPolarHBondContact O-CG2 3.41Å; L442-V446 PolarHBondContact O-N 3.33Å; V443-V446 PolarHBondContact O-N 2.76Å; V446-H448 VanDerWaalsContact C-N 3.31Å; V446-H448 PolarHBondContact O-N 3.44Å; V446-H449 WeakPolarHBondContact O-CB 3.48Å; V446-H449 PolarHBondContact O-N 3.29Å; V446-E450 HydrophobicContact CG1-CG 4.37Å; V446-E450 WeakPolarHBondContact O-CG 3.43Å; V446-E450 PolarHBondContact O-N 2.72Å
447	Q	83.8	Confident	82.3	Confident	97 Å²	97	55.1 Å²	55.1	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-40.8	175.7	-72.8	177.7	-15.1	0	0	112	V443 N444 T451	V443-Q447 WeakPolarHBondContact O-CG 3.36Å; V443-Q447 PolarHBondContact O-N 3.26Å; N444-Q447 PolarHBondContact O-N 3.33Å; Q447-T451 WeakPolarHBondContact O-CB 3.38Å; Q447-T451 PolarHBondContact O-N 2.99Å; Q447-T451 PolarHBondContact O-OG1 2.85Å
448	H	88.5	Confident	83.8	Confident	62 Å²	62	55.3 Å²	55.3	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-45.2	175.6	-167.7	85.8	0	0	0	111.2	Y351 I393 N444 L445 V446 T451 S452	Y351-H448 PolarHBondContact O-NE2 3.43Å; I393-H448 PolarHBondContact O-CD2 3.08Å; N444-H448 VanDerWaalsContact O-CB 3.29Å; N444-H448 WeakPolarHBondContact O-CB 3.47Å; N444-H448 PolarHBondContact O-N 3.05Å; L445-H448 PolarHBondContact O-N 2.88Å; V446-H448 VanDerWaalsContact C-N 3.31Å; V446-H448 PolarHBondContact O-N 3.44Å; H448-T451 PolarHBondContact O-N 3.12Å; H448-S452 WeakPolarHBondContact O-CB 3.09Å; H448-S452 PolarHBondContact O-N 3.48Å
449	H	88.4	Confident	85.2	Confident	42 Å²	42	52.9 Å²	52.9	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-48.3	175.1	177.9	66.9	0	0	0	112.6	G392 I393 L445 V446 T451 S452 Y453	G392-H449 PolarHBondContact O-CE1 3.44Å; G392-H449 VanDerWaalsContact O-CE1 3.31Å; G392-H449 PolarHBondContact O-ND1 3.24Å; I393-H449 VanDerWaalsContact O-CA 3.28Å; I393-H449 WeakPolarHBondContact O-CA 3.27Å; L445-H449 WeakPolarHBondContact O-CB 3.37Å; L445-H449 PolarHBondContact O-N 2.87Å; V446-H449 WeakPolarHBondContact O-CB 3.48Å; V446-H449 PolarHBondContact O-N 3.29Å; H449-T451 VanDerWaalsContact C-N 3.34Å; H449-T451 PolarHBondContact O-N 3.08Å; H449-S452 PolarHBondContact O-N 2.99Å; H449-Y453 VanDerWaalsContact O-CB 3.28Å; H449-Y453 WeakPolarHBondContact O-CB 3.37Å; H449-Y453 PolarHBondContact O-N 3.2Å
450	E	85.3	Confident	86.2	Confident	51 Å²	51	50.8 Å²	50.8	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-41.8	178.6	-74.1	-176.9	-179.6	0	0	112.2	P424 V446 R454	P424-E450 WeakPolarHBondContact CD-OE1 3.33Å; P424-E450 WeakPolarHBondContact CG-OE1 3.28Å; V446-E450 HydrophobicContact CG1-CG 4.37Å; V446-E450 WeakPolarHBondContact O-CG 3.43Å; V446-E450 PolarHBondContact O-N 2.72Å; E450-R454 WeakPolarHBondContact O-CB 3.39Å; E450-R454 PolarHBondContact O-N 2.85Å
451	T	90.2	Very high	86.9	Confident	76 Å²	76	52.3 Å²	52.3	47%	0.466	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-50.3	178	-56.6	0	0	0	0	110.7	Q447 H448 H449 Y453 R454 D455	Q447-T451 WeakPolarHBondContact O-CB 3.38Å; Q447-T451 PolarHBondContact O-N 2.99Å; Q447-T451 PolarHBondContact O-OG1 2.85Å; H448-T451 PolarHBondContact O-N 3.12Å; H449-T451 VanDerWaalsContact C-N 3.34Å; H449-T451 PolarHBondContact O-N 3.08Å; T451-Y453 VanDerWaalsContact C-N 3.34Å; T451-Y453 PolarHBondContact O-N 3.49Å; T451-R454 PolarHBondContact O-N 3.5Å; T451-D455 WeakPolarHBondContact O-CB 3.43Å; T451-D455 PolarHBondContact O-N 2.89Å
452	S	91.7	Very high	87.5	Confident	18 Å²	18	54.8 Å²	54.8	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-46.3	176.4	174.8	0	0	0	0	111.6	S394 H448 H449 R454 D455 I456	S394-S452 VanDerWaalsContact C-OG 3.29Å; S394-S452 WeakPolarHBondContact O-CB 3.3Å; S394-S452 PolarHBondContact O-OG 2.85Å; H448-S452 WeakPolarHBondContact O-CB 3.09Å; H448-S452 PolarHBondContact O-N 3.48Å; H449-S452 PolarHBondContact O-N 2.99Å; S452-R454 PolarHBondContact O-N 3.03Å; S452-D455 WeakPolarHBondContact O-CB 3.41Å; S452-D455 PolarHBondContact O-N 3.36Å; S452-I456 WeakPolarHBondContact O-CD1 3.34Å; S452-I456 VanDerWaalsContact O-CG1 3.24Å; S452-I456 WeakPolarHBondContact O-CG1 3.13Å; S452-I456 PolarHBondContact O-N 3.03Å
453	Y	89.9	Confident	88.1	Confident	16 Å²	16	54 Å²	54	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-42.5	-179.6	-156.3	-85.8	0	0	0	112.1	E237 A396 I397 V416 H449 T451 D455 I456 Q457	E237-Y453 WeakPolarHBondContact OE1-CE2 3.35Å; E237-Y453 PolarHBondContact OE1-OH 3.31Å; A396-Y453 HydrophobicContact CB-CD2 4.03Å; A396-Y453 HydrophobicContact CB-CE2 4.14Å; I397-Y453 HydrophobicContact CD1-CE2 4.26Å; V416-Y453 WeakPolarHBondContact CG2-OH 3.28Å; H449-Y453 VanDerWaalsContact O-CB 3.28Å; H449-Y453 WeakPolarHBondContact O-CB 3.37Å; H449-Y453 PolarHBondContact O-N 3.2Å; T451-Y453 VanDerWaalsContact C-N 3.34Å; T451-Y453 PolarHBondContact O-N 3.49Å; Y453-D455 VanDerWaalsContact C-N 3.33Å; Y453-D455 PolarHBondContact O-N 2.82Å; Y453-I456 WeakPolarHBondContact O-CB 3.5Å; Y453-I456 PolarHBondContact O-N 2.8Å; Y453-Q457 HydrophobicContact CD1-CG 3.97Å; Y453-Q457 HydrophobicContact CE1-CG 3.94Å; Y453-Q457 WeakPolarHBondContact O-CG 3.49Å; Y453-Q457 PolarHBondContact O-N 3.25Å
454	R	88.9	Confident	88.6	Confident	151 Å²	151	57.2 Å²	57.2	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-59.9	-45.2	175.2	-179.6	-178.3	-69.9	156.4	1.4	111.4	E450 T451 S452 I456 Q457 Q458	E450-R454 WeakPolarHBondContact O-CB 3.39Å; E450-R454 PolarHBondContact O-N 2.85Å; T451-R454 PolarHBondContact O-N 3.5Å; S452-R454 PolarHBondContact O-N 3.03Å; R454-I456 VanDerWaalsContact C-N 3.33Å; R454-I456 PolarHBondContact O-N 2.77Å; R454-Q457 PolarHBondContact O-N 2.78Å; R454-Q458 PolarHBondContact O-N 3Å
455	D	92.2	Very high	88.7	Confident	64 Å²	64	58.3 Å²	58.3	34%	0.342	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-37.1	179.3	-83.2	10.8	0	0	0	112.8	K400 T451 S452 Y453 F459	K400-D455 IonicContact NZ-OD2 3.94Å; T451-D455 WeakPolarHBondContact O-CB 3.43Å; T451-D455 PolarHBondContact O-N 2.89Å; S452-D455 WeakPolarHBondContact O-CB 3.41Å; S452-D455 PolarHBondContact O-N 3.36Å; Y453-D455 VanDerWaalsContact C-N 3.33Å; Y453-D455 PolarHBondContact O-N 2.82Å; D455-F459 WeakPolarHBondContact O-CB 3.48Å; D455-F459 PolarHBondContact O-N 2.9Å; D455-F459 VanDerWaalsContact O-N 3.08Å
456	I	93.7	Very high	88.8	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-48.5	172.7	-71.9	162.6	0	0	0	110.1	D395 I397 V399 S452 Y453 R454 Q458 F459 I460	D395-I456 WeakPolarHBondContact OD1-CD1 3.29Å; I397-I456 HydrophobicContact CB-CG2 3.76Å; I397-I456 HydrophobicContact CD1-CG2 4.08Å; I397-I456 HydrophobicContact CG1-CG2 4.11Å; V399-I456 HydrophobicContact CG2-CG2 4.19Å; S452-I456 WeakPolarHBondContact O-CD1 3.34Å; S452-I456 VanDerWaalsContact O-CG1 3.24Å; S452-I456 WeakPolarHBondContact O-CG1 3.13Å; S452-I456 PolarHBondContact O-N 3.03Å; Y453-I456 WeakPolarHBondContact O-CB 3.5Å; Y453-I456 PolarHBondContact O-N 2.8Å; R454-I456 VanDerWaalsContact C-N 3.33Å; R454-I456 PolarHBondContact O-N 2.77Å; I456-Q458 VanDerWaalsContact C-N 3.33Å; I456-Q458 PolarHBondContact O-N 2.9Å; I456-F459 WeakPolarHBondContact O-CB 3.5Å; I456-F459 PolarHBondContact O-N 3.48Å; I456-F459 VanDerWaalsContact O-N 3.16Å; I456-I460 HydrophobicContact CG2-CD1 3.9Å; I456-I460 WeakPolarHBondContact O-CG1 3.4Å; I456-I460 PolarHBondContact O-N 2.95Å
457	Q	88.7	Confident	89.2	Confident	9 Å²	9	66 Å²	66	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-46.3	177.4	-68.1	-50.5	-48.4	0	0	111.3	R414 Y453 R454 F459 I460 E461	R414-Q457 VanDerWaalsContact CZ-OE1 3.3Å; R414-Q457 VanDerWaalsContact NH2-CD 3.25Å; Y453-Q457 HydrophobicContact CD1-CG 3.97Å; Y453-Q457 HydrophobicContact CE1-CG 3.94Å; Y453-Q457 WeakPolarHBondContact O-CG 3.49Å; Y453-Q457 PolarHBondContact O-N 3.25Å; R454-Q457 PolarHBondContact O-N 2.78Å; Q457-F459 VanDerWaalsContact C-N 3.26Å; Q457-F459 PolarHBondContact O-N 3.43Å; Q457-I460 PolarHBondContact O-N 3.23Å; Q457-I460 VanDerWaalsContact O-N 3.09Å; Q457-E461 WeakPolarHBondContact O-CB 3.47Å; Q457-E461 WeakPolarHBondContact O-CG 3.22Å; Q457-E461 PolarHBondContact O-N 3.03Å
458	Q	91.2	Very high	89.4	Confident	111 Å²	111	65.3 Å²	65.3	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-38.1	178.2	-173.8	178	0.3	0	0	112.1	R454 I456 K462	R454-Q458 PolarHBondContact O-N 3Å; I456-Q458 VanDerWaalsContact C-N 3.33Å; I456-Q458 PolarHBondContact O-N 2.9Å; Q458-K462 PolarHBondContact O-N 3.38Å
459	F	94.1	Very high	89.5	Confident	34 Å²	34	63.9 Å²	63.9	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-39.3	175.1	-174.3	-84.4	0	0	0	112.3	V399 K400 A403 D455 I456 Q457 K462 P463 P464 L467 I469	V399-F459 HydrophobicContact CB-CD1 4.06Å; V399-F459 HydrophobicContact CB-CE1 4.14Å; V399-F459 HydrophobicContact CG2-CB 4.48Å; V399-F459 HydrophobicContact CG2-CD1 3.49Å; V399-F459 VanDerWaalsContact CG2-CD1 3.49Å; V399-F459 HydrophobicContact CG2-CE1 4.03Å; V399-F459 HydrophobicContact CG2-CG 4.24Å; K400-F459 HydrophobicContact CG-CB 4.33Å; K400-F459 HydrophobicContact CG-CD1 4.36Å; K400-F459 HydrophobicContact CG-CD2 3.72Å; K400-F459 HydrophobicContact CG-CE2 4.03Å; K400-F459 HydrophobicContact CG-CG 3.89Å; K400-F459 HydrophobicContact CG-CZ 4.49Å; A403-F459 HydrophobicContact CB-CE1 4.39Å; A403-F459 HydrophobicContact CB-CZ 3.72Å; D455-F459 WeakPolarHBondContact O-CB 3.48Å; D455-F459 PolarHBondContact O-N 2.9Å; D455-F459 VanDerWaalsContact O-N 3.08Å; I456-F459 WeakPolarHBondContact O-CB 3.5Å; I456-F459 PolarHBondContact O-N 3.48Å; I456-F459 VanDerWaalsContact O-N 3.16Å; Q457-F459 VanDerWaalsContact C-N 3.26Å; Q457-F459 PolarHBondContact O-N 3.43Å; F459-K462 CarbonylContact O-C 3.5Å; F459-P463 VanDerWaalsContact O-CA 3.24Å; F459-P463 WeakPolarHBondContact O-CA 3.47Å; F459-P463 VanDerWaalsContact O-N 3.16Å; F459-P464 HydrophobicContact CD2-CG 4.47Å; F459-P464 VanDerWaalsContact CE2-CD 3.47Å; F459-P464 HydrophobicContact CE2-CG 3.6Å; F459-P464 HydrophobicContact CZ-CG 3.85Å; F459-L467 HydrophobicContact CE1-CD2 3.61Å; F459-L467 HydrophobicContact CZ-CD2 3.55Å; F459-I469 HydrophobicContact CD1-CD1 4.24Å; F459-I469 HydrophobicContact CE1-CD1 4.17Å
460	I	90.1	Very high	89.6	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.051	33%	0.329	C	S	.	.	H	α-helix	trans	-68.2	-45	177.6	-68.4	171.4	0	0	0	111.1	V399 I456 Q457 P463 I469 E471	V399-I460 HydrophobicContact CG1-CD1 4.18Å; V399-I460 HydrophobicContact CG1-CG1 4.14Å; V399-I460 HydrophobicContact CG2-CD1 4.48Å; V399-I460 HydrophobicContact CG2-CG1 4.06Å; I456-I460 HydrophobicContact CG2-CD1 3.9Å; I456-I460 WeakPolarHBondContact O-CG1 3.4Å; I456-I460 PolarHBondContact O-N 2.95Å; Q457-I460 PolarHBondContact O-N 3.23Å; Q457-I460 VanDerWaalsContact O-N 3.09Å; I460-P463 WeakPolarHBondContact O-CD 3.19Å; I460-I469 HydrophobicContact CG2-CG2 4.34Å; I460-E471 VanDerWaalsContact CG2-CD 3.41Å; I460-E471 HydrophobicContact CG2-CG 4.1Å
461	E	87.9	Confident	90	Very high	114 Å²	114	65.2 Å²	65.2	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-34.6	179.6	-71.6	178.8	175.3	0	0	112.6	Q457	Q457-E461 WeakPolarHBondContact O-CB 3.47Å; Q457-E461 WeakPolarHBondContact O-CG 3.22Å; Q457-E461 PolarHBondContact O-N 3.03Å
462	K	89.7	Confident	90	Very high	129 Å²	129	61.9 Å²	61.9	56%	0.561	31%	0.311	S	S	*	.	S	Bend	trans	-129.4	70.4	-178.1	-63.4	-178.4	-176.3	175.4	0	110.5	Q458 F459	Q458-K462 PolarHBondContact O-N 3.38Å; F459-K462 CarbonylContact O-C 3.5Å
463	P	89.3	Confident	90	Very high	47 Å²	47	65.3 Å²	65.3	31%	0.305	32%	0.322	S	S	.	.			trans	-64.2	139.2	-178.4	25.8	-33	0	0	0	111	F459 I460 L467 I469	F459-P463 VanDerWaalsContact O-CA 3.24Å; F459-P463 WeakPolarHBondContact O-CA 3.47Å; F459-P463 VanDerWaalsContact O-N 3.16Å; I460-P463 WeakPolarHBondContact O-CD 3.19Å; P463-L467 HydrophobicContact CB-CB 4.18Å; P463-L467 HydrophobicContact CB-CD2 4.26Å; P463-L467 HydrophobicContact CB-CG 4.42Å; P463-I469 HydrophobicContact CB-CD1 3.8Å; P463-I469 HydrophobicContact CB-CG1 4.12Å
464	P	87.6	Confident	89.8	Confident	71 Å²	71	64.5 Å²	64.5	46%	0.461	32%	0.319	S	S	.	.	S	Bend	trans	-70.5	139.8	-179.2	27.9	-35.3	0	0	0	112.3	F459 K466 L467	F459-P464 HydrophobicContact CD2-CG 4.47Å; F459-P464 VanDerWaalsContact CE2-CD 3.47Å; F459-P464 HydrophobicContact CE2-CG 3.6Å; F459-P464 HydrophobicContact CZ-CG 3.85Å; P464-K466 PolarHBondContact O-N 3.41Å; P464-L467 HydrophobicContact CG-CD2 4.31Å; P464-L467 VanDerWaalsContact O-CB 3.27Å; P464-L467 WeakPolarHBondContact O-CB 3.36Å; P464-L467 PolarHBondContact O-N 3.37Å
465	G	86.9	Confident	89.3	Confident	84 Å²	84	61.6 Å²	61.6	87%	0.866	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-125.2	171.5	0	0	0	0	0	113.5
466	K	85.4	Confident	88.9	Confident	179 Å²	179	63.6 Å²	63.6	78%	0.778	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	16.8	179.8	-62	-174.1	179.7	-178.6	0	113	P464 R468	P464-K466 PolarHBondContact O-N 3.41Å; K466-R468 PolarHBondContact O-N 3.14Å
467	L	89.4	Confident	88.6	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.099	35%	0.345	C	S	.	.			trans	-66.3	123.6	-178.9	-176.6	67.5	0	0	0	109.9	A403 A407 L410 F459 P463 P464 I469	A403-L467 HydrophobicContact CB-CD1 4.46Å; A403-L467 HydrophobicContact CB-CD2 3.85Å; A407-L467 VanDerWaalsContact O-CD1 3.23Å; A407-L467 WeakPolarHBondContact O-CD1 3.4Å; L410-L467 HydrophobicContact CD1-CD1 3.58Å; L410-L467 HydrophobicContact CD1-CD2 3.58Å; L410-L467 HydrophobicContact CD1-CG 3.65Å; L410-L467 HydrophobicContact CG-CD1 4.35Å; F459-L467 HydrophobicContact CE1-CD2 3.61Å; F459-L467 HydrophobicContact CZ-CD2 3.55Å; P463-L467 HydrophobicContact CB-CB 4.18Å; P463-L467 HydrophobicContact CB-CD2 4.26Å; P463-L467 HydrophobicContact CB-CG 4.42Å; P464-L467 HydrophobicContact CG-CD2 4.31Å; P464-L467 VanDerWaalsContact O-CB 3.27Å; P464-L467 WeakPolarHBondContact O-CB 3.36Å; P464-L467 PolarHBondContact O-N 3.37Å; L467-I469 HydrophobicContact CD2-CD1 4.35Å; L467-I469 HydrophobicContact CG-CG1 4.37Å
468	R	88.8	Confident	88.7	Confident	83 Å²	83	67.3 Å²	67.3	31%	0.313	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.8	176.5	-67.1	179.2	-68.7	-148.7	-19.5	109.7	L228 P229 K408 T409 L410 K466 F470	L228-R468 PolarHBondContact O-NH2 3.09Å; P229-R468 VanDerWaalsContact C-NH2 3.27Å; P229-R468 PolarHBondContact O-NH2 3.22Å; P229-R468 VanDerWaalsContact O-NH2 3.08Å; K408-R468 PolarHBondContact O-N 3.37Å; T409-R468 CarbonylContact C-O 3.36Å; T409-R468 WeakPolarHBondContact CA-O 3.41Å; T409-R468 HydrophobicContact CG2-CB 4.27Å; T409-R468 PolarHBondContact OG1-NE 3.15Å; T409-R468 VanDerWaalsContact OG1-NE 3.11Å; T409-R468 PolarHBondContact OG1-NH2 3.22Å; L410-R468 PolarHBondContact N-O 3.2Å; K466-R468 PolarHBondContact O-N 3.14Å; R468-F470 HydrophobicContact CB-CE2 4.37Å
469	I	91	Very high	88.7	Confident	33 Å²	33	66.6 Å²	66.6	17%	0.169	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123	176.2	-53.6	-172.8	0	0	0	108.2	L410 V412 F459 I460 P463 L467 E471	L410-I469 HydrophobicContact CB-CG1 4.22Å; L410-I469 HydrophobicContact CB-CG2 4.34Å; L410-I469 HydrophobicContact CD1-CD1 3.9Å; L410-I469 HydrophobicContact CD1-CG1 3.66Å; V412-I469 HydrophobicContact CG2-CG2 3.69Å; F459-I469 HydrophobicContact CD1-CD1 4.24Å; F459-I469 HydrophobicContact CE1-CD1 4.17Å; I460-I469 HydrophobicContact CG2-CG2 4.34Å; P463-I469 HydrophobicContact CB-CD1 3.8Å; P463-I469 HydrophobicContact CB-CG1 4.12Å; L467-I469 HydrophobicContact CD2-CD1 4.35Å; L467-I469 HydrophobicContact CG-CG1 4.37Å; I469-E471 HydrophobicContact CG2-CG 4.23Å
470	F	90.4	Very high	88.6	Confident	58 Å²	58	65.1 Å²	65.1	25%	0.254	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124	170.4	-61.2	-79.5	0	0	0	108.5	T409 L410 V411 V412 R468 F504 V508 L512	T409-F470 HydrophobicContact CG2-CD2 3.79Å; T409-F470 HydrophobicContact CG2-CE2 3.64Å; L410-F470 PolarHBondContact O-N 2.87Å; V411-F470 CarbonylContact C-O 3.56Å; V411-F470 WeakPolarHBondContact CA-O 3.49Å; V412-F470 PolarHBondContact N-O 2.92Å; R468-F470 HydrophobicContact CB-CE2 4.37Å; F470-F504 HydrophobicContact CB-CE2 3.97Å; F470-V508 HydrophobicContact CD1-CG1 3.68Å; F470-V508 HydrophobicContact CD1-CG2 4.13Å; F470-V508 HydrophobicContact CD2-CG1 4.17Å; F470-V508 HydrophobicContact CE1-CG1 3.76Å; F470-V508 HydrophobicContact CE1-CG2 4.36Å; F470-V508 HydrophobicContact CE2-CG1 4.24Å; F470-V508 HydrophobicContact CG-CG1 3.89Å; F470-V508 HydrophobicContact CZ-CG1 4.04Å; F470-L512 HydrophobicContact CE2-CD2 4.2Å
471	E	92.3	Very high	88.6	Confident	62 Å²	62	69.4 Å²	69.4	29%	0.29	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.8	179.6	-60	177.8	84.6	0	0	111	V412 R414 I460 I469 Y473	V412-E471 HydrophobicContact CB-CG 4.46Å; V412-E471 CarbonylContact O-C 3.57Å; V412-E471 WeakPolarHBondContact O-CA 3.41Å; R414-E471 WeakPolarHBondContact CD-OE1 3.33Å; R414-E471 IonicContact CZ-OE1 3.85Å; R414-E471 IonicContact NE-OE1 3.74Å; R414-E471 IonicContact NH1-OE1 3.84Å; R414-E471 PolarHBondContact NH1-OE1 3.16Å; I460-E471 VanDerWaalsContact CG2-CD 3.41Å; I460-E471 HydrophobicContact CG2-CG 4.1Å; I469-E471 HydrophobicContact CG2-CG 4.23Å; E471-Y473 HydrophobicContact CB-CD1 3.69Å; E471-Y473 HydrophobicContact CB-CE1 4.06Å
472	I	91.3	Very high	88.6	Confident	7 Å²	7	65.8 Å²	65.8	4%	0.036	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	110.8	166.3	-53.1	174.8	0	0	0	106.2	F245 V249 F253 V411 V412 I413 R414 C500 F504	F245-I472 HydrophobicContact CE1-CG2 4.43Å; F245-I472 HydrophobicContact CZ-CG2 4.29Å; V249-I472 HydrophobicContact CG1-CD1 3.83Å; V249-I472 HydrophobicContact CG1-CG2 4.12Å; V249-I472 HydrophobicContact CG2-CG2 3.81Å; F253-I472 HydrophobicContact CE1-CD1 4.25Å; F253-I472 HydrophobicContact CE2-CD1 4.47Å; F253-I472 HydrophobicContact CZ-CD1 3.58Å; V411-I472 HydrophobicContact CG1-CD1 3.98Å; V411-I472 HydrophobicContact CG1-CG1 4.45Å; V412-I472 PolarHBondContact O-N 2.81Å; I413-I472 CarbonylContact C-O 3.55Å; I413-I472 WeakPolarHBondContact CA-O 3.45Å; I413-I472 HydrophobicContact CG1-CB 4.31Å; I413-I472 HydrophobicContact CG1-CD1 4.26Å; R414-I472 PolarHBondContact N-O 2.76Å; I472-C500 HydrophobicContact CG2-CB 3.92Å; I472-F504 HydrophobicContact CD1-CB 3.8Å; I472-F504 HydrophobicContact CD1-CD1 3.89Å; I472-F504 HydrophobicContact CD1-CD2 3.56Å; I472-F504 HydrophobicContact CD1-CE1 4.36Å; I472-F504 HydrophobicContact CD1-CE2 4.05Å; I472-F504 HydrophobicContact CD1-CG 3.45Å; I472-F504 VanDerWaalsContact CD1-CG 3.45Å; I472-F504 HydrophobicContact CD1-CZ 4.43Å; I472-F504 HydrophobicContact CG1-CB 4.17Å; I472-F504 HydrophobicContact CG1-CD2 3.53Å; I472-F504 HydrophobicContact CG1-CE2 4.06Å; I472-F504 HydrophobicContact CG1-CG 3.9Å
473	Y	91.1	Very high	88.5	Confident	89 Å²	89	61 Å²	61	35%	0.349	33%	0.331	S	S	.	.			trans	-138.6	156.1	-174.8	57.3	-92.2	0	0	0	110.1	F245 S418 E471	F245-Y473 VanDerWaalsContact CZ-C 3.49Å; S418-Y473 WeakPolarHBondContact OG-CE2 3.24Å; S418-Y473 VanDerWaalsContact OG-CZ 3.3Å; S418-Y473 PolarHBondContact OG-OH 2.98Å; E471-Y473 HydrophobicContact CB-CD1 3.69Å; E471-Y473 HydrophobicContact CB-CE1 4.06Å
474	P	85.9	Confident	88.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.337	C	S	.	.			trans	-69.4	132.7	175.9	30.4	-36.6	0	0	0	109.9	F245 R414 K476 L478 L496	F245-P474 HydrophobicContact CD2-CB 4.11Å; F245-P474 HydrophobicContact CE2-CB 3.91Å; F245-P474 HydrophobicContact CZ-CB 4.28Å; R414-P474 WeakPolarHBondContact O-CD 3.38Å; P474-K476 WeakPolarHBondContact CB-O 3.49Å; P474-K476 PolarHBondContact O-N 3.27Å; P474-K476 VanDerWaalsContact O-N 3.16Å; P474-L478 HydrophobicContact CB-CD2 3.51Å; P474-L478 HydrophobicContact CB-CG 4Å; P474-L478 HydrophobicContact CG-CD1 4.37Å; P474-L478 HydrophobicContact CG-CD2 3.94Å; P474-L478 HydrophobicContact CG-CG 3.87Å; P474-L496 HydrophobicContact CB-CD2 4.15Å
475	P	79.3	Confident	88.6	Confident	90 Å²	90	58.1 Å²	58.1	58%	0.584	32%	0.32	S	S	*	.	S	Bend	trans	-66.5	-17.1	-177.6	26.4	-35.9	0	0	0	113.4	L496	P475-L496 HydrophobicContact CG-CD1 4.12Å
476	K	82.6	Confident	88.9	Confident	106 Å²	106	64 Å²	64	46%	0.461	32%	0.316	S	S	.	.	S	Bend	trans	-137.2	160.7	176.7	59.5	176.2	-180	168.4	0	109.4	P474 L478	P474-K476 WeakPolarHBondContact CB-O 3.49Å; P474-K476 PolarHBondContact O-N 3.27Å; P474-K476 VanDerWaalsContact O-N 3.16Å; K476-L478 PolarHBondContact O-N 3.05Å
477	P	87.5	Confident	89.3	Confident	66 Å²	66	58.2 Å²	58.2	43%	0.429	30%	0.296	S	S	.	.			trans	-51.1	132.5	170.8	-26.6	35.8	0	0	0	111.2	P417 M420	P417-P477 HydrophobicContact CG-CG 4.19Å; M420-P477 HydrophobicContact CE-CG 3.86Å
478	L	90.6	Very high	89.6	Confident	21 Å²	21	60.6 Å²	60.6	11%	0.11	31%	0.313	C	S	.	.			trans	-62.4	147.5	177.3	-68.3	179.5	0	0	0	110.6	R242 F245 T415 P474 K476 S480 D493 L496	R242-L478 HydrophobicContact CB-CD1 3.88Å; R242-L478 HydrophobicContact CG-CD1 4.34Å; F245-L478 HydrophobicContact CB-CD1 3.81Å; F245-L478 HydrophobicContact CB-CD2 4.07Å; F245-L478 HydrophobicContact CD2-CD2 4.02Å; F245-L478 HydrophobicContact CG-CD1 4.45Å; F245-L478 HydrophobicContact CG-CD2 4.26Å; T415-L478 WeakPolarHBondContact O-CD1 3.38Å; P474-L478 HydrophobicContact CB-CD2 3.51Å; P474-L478 HydrophobicContact CB-CG 4Å; P474-L478 HydrophobicContact CG-CD1 4.37Å; P474-L478 HydrophobicContact CG-CD2 3.94Å; P474-L478 HydrophobicContact CG-CG 3.87Å; K476-L478 PolarHBondContact O-N 3.05Å; L478-S480 VanDerWaalsContact C-N 3.28Å; L478-D493 WeakPolarHBondContact CB-OD2 3.43Å; L478-D493 HydrophobicContact CD2-CB 3.97Å; L478-L496 HydrophobicContact CD2-CD2 4.08Å
479	H	91.5	Very high	89.9	Confident	97 Å²	97	57.4 Å²	57.4	45%	0.449	30%	0.304	S	S	.	.	S	Bend	trans	-74.1	-26	174.7	-67.4	178.4	0	0	0	111.6	A489 E492 D493	H479-A489 HydrophobicContact CB-CB 3.77Å; H479-E492 IonicContact CE1-OE2 3.76Å; H479-E492 PolarHBondContact CE1-OE2 2.79Å; H479-E492 VanDerWaalsContact CE1-OE2 3.27Å; H479-E492 IonicContact CG-OE2 2.89Å; H479-E492 IonicContact ND1-OE2 3.48Å; H479-E492 PolarHBondContact ND1-OE2 3.11Å; H479-D493 PolarHBondContact N-OD1 2.94Å; H479-D493 VanDerWaalsContact N-OD1 3.13Å; H479-D493 PolarHBondContact N-OD2 3.36Å; H479-D493 VanDerWaalsContact N-OD2 3.08Å
480	S	92	Very high	90.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.021	30%	0.296	C	S	.	.			trans	-74.7	146.1	171.9	58.5	0	0	0	0	111.8	R242 L478 S485 D493	R242-S480 WeakPolarHBondContact CG-O 3.33Å; L478-S480 VanDerWaalsContact C-N 3.28Å; S480-S485 WeakPolarHBondContact CA-OG 3.35Å; S480-S485 WeakPolarHBondContact CB-OG 3.35Å; S480-D493 WeakPolarHBondContact CA-OD2 3.24Å; S480-D493 WeakPolarHBondContact CB-OD2 3.39Å; S480-D493 PolarHBondContact N-OD2 2.85Å; S480-D493 PolarHBondContact OG-OD2 3.32Å
481	I	90.1	Very high	90.5	Very high	99 Å²	99	57.7 Å²	57.7	51%	0.508	30%	0.301	S	S	.	.			trans	-111.2	173	173	55.7	171.1	0	0	0	109.3	Q241 L483 S485	Q241-I481 WeakPolarHBondContact CB-O 3.47Å; I481-L483 VanDerWaalsContact C-N 3.29Å; I481-L483 WeakPolarHBondContact CD1-O 3.49Å; I481-L483 VanDerWaalsContact CG1-O 3.27Å; I481-L483 WeakPolarHBondContact CG1-O 3.32Å; I481-L483 PolarHBondContact O-N 3.04Å; I481-S485 PolarHBondContact N-OG 2.92Å; I481-S485 PolarHBondContact O-OG 2.84Å
482	A	88.7	Confident	90.6	Very high	38 Å²	38	59.6 Å²	59.6	31%	0.314	31%	0.31	S	S	.	.	S	Bend	trans	-61.2	-35.3	-175.8	0	0	0	0	0	113.5	G239 G240 Q241	G239-A482 WeakPolarHBondContact O-CA 3.18Å; G240-A482 WeakPolarHBondContact CA-O 3.48Å; Q241-A482 PolarHBondContact N-O 3.42Å
483	L	87.2	Confident	90.9	Very high	29 Å²	29	59.4 Å²	59.4	15%	0.152	31%	0.309	C	S	.	.	S	Bend	trans	-144.8	143.7	179.9	-65.2	174.1	0	0	0	110.6	F298 F299 I311 F376 I481	F298-L483 HydrophobicContact CE1-CD2 4.18Å; F299-L483 HydrophobicContact CD2-CB 4.28Å; F299-L483 HydrophobicContact CE2-CB 3.9Å; F299-L483 HydrophobicContact CE2-CD1 4.37Å; I311-L483 HydrophobicContact CG2-CD1 3.76Å; I311-L483 HydrophobicContact CG2-CD2 3.7Å; I311-L483 HydrophobicContact CG2-CG 4.39Å; F376-L483 HydrophobicContact CD2-CD1 3.83Å; F376-L483 HydrophobicContact CE2-CD1 4.17Å; F376-L483 HydrophobicContact CG-CD1 4.2Å; I481-L483 VanDerWaalsContact C-N 3.29Å; I481-L483 WeakPolarHBondContact CD1-O 3.49Å; I481-L483 VanDerWaalsContact CG1-O 3.27Å; I481-L483 WeakPolarHBondContact CG1-O 3.32Å; I481-L483 PolarHBondContact O-N 3.04Å
484	G	86.9	Confident	91.2	Very high	43 Å²	43	55.7 Å²	55.7	44%	0.443	30%	0.295	S	S	.	.	S	Bend	trans	80.4	19.1	175.7	0	0	0	0	0	115.1
485	S	92.3	Very high	91.7	Very high	14 Å²	14	60.3 Å²	60.3	10%	0.098	32%	0.315	C	S	.	.			trans	-63	143.1	174.8	-63.5	0	0	0	0	111.9	Q241 S480 I481	Q241-S485 PolarHBondContact OE1-OG 3.45Å; S480-S485 WeakPolarHBondContact CA-OG 3.35Å; S480-S485 WeakPolarHBondContact CB-OG 3.35Å; I481-S485 PolarHBondContact N-OG 2.92Å; I481-S485 PolarHBondContact O-OG 2.84Å
486	R	92.8	Very high	92.3	Very high	208 Å²	208	57.3 Å²	57.3	79%	0.785	29%	0.294	S	S	*	.			trans	-77.3	145.3	172.6	-60.6	-178.8	178.6	158.5	-0.5	110.3	P488 A489 L490	R486-P488 VanDerWaalsContact C-CD 3.48Å; R486-P488 VanDerWaalsContact C-N 3.33Å; R486-A489 WeakPolarHBondContact O-CB 3.39Å; R486-A489 PolarHBondContact O-N 2.9Å; R486-L490 PolarHBondContact O-N 3.17Å; R486-L490 VanDerWaalsContact O-N 3.16Å
487	V	94.4	Very high	92.9	Very high	57 Å²	57	52.3 Å²	52.3	35%	0.345	27%	0.272	S	S	.	.	H	α-helix	trans	-53.6	-39.8	179.9	178.4	0	0	0	0	113.7	M290 T294 A489 L490 R491	M290-V487 HydrophobicContact CE-CG1 3.76Å; T294-V487 HydrophobicContact CG2-CG2 4.34Å; V487-A489 PolarHBondContact O-N 3.08Å; V487-L490 PolarHBondContact O-N 3.18Å; V487-R491 PolarHBondContact O-N 3.06Å
488	P	94.7	Very high	93.3	Very high	70 Å²	70	50.6 Å²	50.6	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-43.4	174.9	-26.5	36.8	0	0	0	113.9	R486 L490 R491 E492	R486-P488 VanDerWaalsContact C-CD 3.48Å; R486-P488 VanDerWaalsContact C-N 3.33Å; P488-L490 PolarHBondContact O-N 2.93Å; P488-R491 WeakPolarHBondContact O-CB 3.35Å; P488-R491 PolarHBondContact O-N 3.47Å; P488-R491 VanDerWaalsContact O-N 3.16Å; P488-E492 PolarHBondContact O-N 2.74Å
489	A	95	Very high	93.3	Very high	16 Å²	16	53 Å²	53	13%	0.132	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-43.6	177.4	0	0	0	0	0	111.3	H479 R486 V487 R491 E492 D493	H479-A489 HydrophobicContact CB-CB 3.77Å; R486-A489 WeakPolarHBondContact O-CB 3.39Å; R486-A489 PolarHBondContact O-N 2.9Å; V487-A489 PolarHBondContact O-N 3.08Å; A489-R491 VanDerWaalsContact C-N 3.3Å; A489-R491 PolarHBondContact O-N 3.46Å; A489-E492 PolarHBondContact O-N 3.3Å; A489-D493 WeakPolarHBondContact O-CB 3.41Å; A489-D493 PolarHBondContact O-N 3.25Å
490	L	97.4	Very high	93.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-41.1	174.3	-63.5	175.2	0	0	0	112	Q241 I244 I289 M290 T294 R486 V487 P488 Y494	Q241-L490 HydrophobicContact CB-CD2 3.97Å; I244-L490 HydrophobicContact CB-CD2 4.16Å; I244-L490 HydrophobicContact CG1-CB 4.24Å; I244-L490 HydrophobicContact CG1-CD2 4.48Å; I244-L490 VanDerWaalsContact CG1-O 3.28Å; I244-L490 WeakPolarHBondContact CG1-O 3.32Å; I244-L490 HydrophobicContact CG2-CD2 3.89Å; I289-L490 HydrophobicContact CG2-CD1 4.26Å; I289-L490 HydrophobicContact CG2-CD2 4.05Å; M290-L490 HydrophobicContact CG-CB 4.28Å; M290-L490 HydrophobicContact CG-CD1 4.5Å; T294-L490 HydrophobicContact CG2-CD1 3.67Å; R486-L490 PolarHBondContact O-N 3.17Å; R486-L490 VanDerWaalsContact O-N 3.16Å; V487-L490 PolarHBondContact O-N 3.18Å; P488-L490 PolarHBondContact O-N 2.93Å; L490-Y494 VanDerWaalsContact O-CB 3.27Å; L490-Y494 WeakPolarHBondContact O-CB 3.33Å; L490-Y494 PolarHBondContact O-N 2.98Å
491	R	96.9	Very high	92.9	Very high	96 Å²	96	49.1 Å²	49.1	36%	0.362	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-42.6	179	-170.6	-172.4	-66.7	119.8	-5.5	111.6	M290 V487 P488 A489 K495	M290-R491 HydrophobicContact CE-CB 4.19Å; V487-R491 PolarHBondContact O-N 3.06Å; P488-R491 WeakPolarHBondContact O-CB 3.35Å; P488-R491 PolarHBondContact O-N 3.47Å; P488-R491 VanDerWaalsContact O-N 3.16Å; A489-R491 VanDerWaalsContact C-N 3.3Å; A489-R491 PolarHBondContact O-N 3.46Å; R491-K495 WeakPolarHBondContact O-CG 3.49Å; R491-K495 PolarHBondContact O-N 3.48Å; R491-K495 VanDerWaalsContact O-N 3.13Å
492	E	94.6	Very high	92.7	Very high	102 Å²	102	49.2 Å²	49.2	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-47.8	177.7	-73.7	174.5	-174.6	0	0	111.5	H479 P488 A489 Y494 K495 L496	H479-E492 IonicContact CE1-OE2 3.76Å; H479-E492 PolarHBondContact CE1-OE2 2.79Å; H479-E492 VanDerWaalsContact CE1-OE2 3.27Å; H479-E492 IonicContact CG-OE2 2.89Å; H479-E492 IonicContact ND1-OE2 3.48Å; H479-E492 PolarHBondContact ND1-OE2 3.11Å; P488-E492 PolarHBondContact O-N 2.74Å; A489-E492 PolarHBondContact O-N 3.3Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.33Å; E492-K495 WeakPolarHBondContact O-CB 3.38Å; E492-K495 PolarHBondContact O-N 2.88Å; E492-K495 VanDerWaalsContact O-N 3.14Å; E492-L496 PolarHBondContact O-N 3.47Å
493	D	96.9	Very high	92.3	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-32.4	179.6	-69.8	-19.8	0	0	0	112.4	I244 L478 H479 S480 A489 L496 G497	I244-D493 HydrophobicContact CG2-CB 3.73Å; L478-D493 WeakPolarHBondContact CB-OD2 3.43Å; L478-D493 HydrophobicContact CD2-CB 3.97Å; H479-D493 PolarHBondContact N-OD1 2.94Å; H479-D493 VanDerWaalsContact N-OD1 3.13Å; H479-D493 PolarHBondContact N-OD2 3.36Å; H479-D493 VanDerWaalsContact N-OD2 3.08Å; S480-D493 WeakPolarHBondContact CA-OD2 3.24Å; S480-D493 WeakPolarHBondContact CB-OD2 3.39Å; S480-D493 PolarHBondContact N-OD2 2.85Å; S480-D493 PolarHBondContact OG-OD2 3.32Å; A489-D493 WeakPolarHBondContact O-CB 3.41Å; A489-D493 PolarHBondContact O-N 3.25Å; D493-L496 PolarHBondContact O-N 2.79Å; D493-G497 PolarHBondContact O-N 3.41Å
494	Y	98.1	Very high	92.3	Very high	12 Å²	12	52.4 Å²	52.4	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-47.5	169.6	179.5	-108.5	0	0	0	111.7	I244 A247 G248 D251 R286 L490 E492 L496 G497 R498	I244-Y494 HydrophobicContact CD1-CD2 4.15Å; I244-Y494 HydrophobicContact CG1-CD2 4.43Å; A247-Y494 HydrophobicContact CB-CD2 4.31Å; A247-Y494 HydrophobicContact CB-CE2 4.34Å; G248-Y494 VanDerWaalsContact CA-CE2 3.46Å; D251-Y494 VanDerWaalsContact OD2-CE2 3.28Å; D251-Y494 WeakPolarHBondContact OD2-CE2 3.34Å; D251-Y494 PolarHBondContact OD2-OH 2.88Å; R286-Y494 HydrophobicContact CB-CD2 4.16Å; R286-Y494 HydrophobicContact CB-CE2 3.79Å; R286-Y494 VanDerWaalsContact CD-CZ 3.48Å; R286-Y494 HydrophobicContact CG-CD1 4.5Å; R286-Y494 HydrophobicContact CG-CD2 3.92Å; R286-Y494 HydrophobicContact CG-CE1 4.41Å; R286-Y494 HydrophobicContact CG-CE2 3.83Å; R286-Y494 HydrophobicContact CG-CG 4.26Å; R286-Y494 VanDerWaalsContact NH1-CE1 3.32Å; L490-Y494 VanDerWaalsContact O-CB 3.27Å; L490-Y494 WeakPolarHBondContact O-CB 3.33Å; L490-Y494 PolarHBondContact O-N 2.98Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.33Å; Y494-L496 VanDerWaalsContact C-N 3.33Å; Y494-L496 PolarHBondContact O-N 2.9Å; Y494-G497 PolarHBondContact O-N 2.97Å; Y494-R498 HydrophobicContact CE1-CG 4.12Å; Y494-R498 PolarHBondContact O-N 2.9Å
495	K	95.7	Very high	92.1	Very high	96 Å²	96	50.3 Å²	50.3	42%	0.417	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-42.2	177.3	-73	-177.6	176.6	-160.3	0	111.2	R491 E492 G497 R498 L499	R491-K495 WeakPolarHBondContact O-CG 3.49Å; R491-K495 PolarHBondContact O-N 3.48Å; R491-K495 VanDerWaalsContact O-N 3.13Å; E492-K495 WeakPolarHBondContact O-CB 3.38Å; E492-K495 PolarHBondContact O-N 2.88Å; E492-K495 VanDerWaalsContact O-N 3.14Å; K495-G497 VanDerWaalsContact C-N 3.35Å; K495-R498 PolarHBondContact O-N 2.76Å; K495-L499 PolarHBondContact O-N 2.73Å
496	L	93.1	Very high	91.3	Very high	28 Å²	28	51 Å²	51	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-44.5	174.6	-177.2	60.9	0	0	0	111.5	F245 P474 P475 L478 E492 D493 Y494 R498 L499 C500	F245-L496 HydrophobicContact CD2-CG 4.31Å; F245-L496 HydrophobicContact CE2-CG 4.14Å; P474-L496 HydrophobicContact CB-CD2 4.15Å; P475-L496 HydrophobicContact CG-CD1 4.12Å; L478-L496 HydrophobicContact CD2-CD2 4.08Å; E492-L496 PolarHBondContact O-N 3.47Å; D493-L496 PolarHBondContact O-N 2.79Å; Y494-L496 VanDerWaalsContact C-N 3.33Å; Y494-L496 PolarHBondContact O-N 2.9Å; L496-R498 PolarHBondContact O-N 2.88Å; L496-L499 WeakPolarHBondContact O-CB 3.22Å; L496-L499 PolarHBondContact O-N 3.26Å; L496-C500 PolarHBondContact O-N 3.25Å; L496-C500 PolarHBondContact O-SG 3.03Å; L496-C500 VanDerWaalsContact O-SG 3.38Å
497	G	94.2	Very high	90.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.2	-45.6	173.3	0	0	0	0	0	112.8	F245 V249 D493 Y494 K495 L499 C500 G501	F245-G497 VanDerWaalsContact CE2-CA 3.5Å; F245-G497 WeakPolarHBondContact O-CA 3.45Å; V249-G497 WeakPolarHBondContact CA-O 3.35Å; V249-G497 WeakPolarHBondContact CG2-O 3.32Å; V249-G497 PolarHBondContact N-O 3.12Å; D493-G497 PolarHBondContact O-N 3.41Å; Y494-G497 PolarHBondContact O-N 2.97Å; K495-G497 VanDerWaalsContact C-N 3.35Å; G497-L499 VanDerWaalsContact C-N 3.34Å; G497-L499 PolarHBondContact O-N 3.31Å; G497-C500 PolarHBondContact O-N 3.22Å; G497-G501 PolarHBondContact O-N 3.34Å
498	R	96.7	Very high	89.8	Confident	30 Å²	30	41.3 Å²	41.3	11%	0.113	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-44.1	175.1	-68.5	-179.8	72	-174.6	13.5	111.7	G248 E252 Y494 K495 L496 G501 R502 D562	G248-R498 WeakPolarHBondContact O-CA 3.28Å; G248-R498 WeakPolarHBondContact O-CG 3.43Å; E252-R498 HydrophobicContact CG-CB 3.65Å; E252-R498 HydrophobicContact CG-CG 3.85Å; E252-R498 WeakPolarHBondContact CG-O 3.43Å; E252-R498 IonicContact OE1-CZ 3.08Å; E252-R498 IonicContact OE1-NE 3.47Å; E252-R498 PolarHBondContact OE1-NE 2.89Å; E252-R498 IonicContact OE1-NH2 2.66Å; E252-R498 PolarHBondContact OE1-NH2 3.24Å; Y494-R498 HydrophobicContact CE1-CG 4.12Å; Y494-R498 PolarHBondContact O-N 2.9Å; K495-R498 PolarHBondContact O-N 2.76Å; L496-R498 PolarHBondContact O-N 2.88Å; R498-G501 PolarHBondContact O-N 3.34Å; R498-R502 WeakPolarHBondContact O-CG 3.2Å; R498-R502 PolarHBondContact O-N 3.32Å; R498-D562 IonicContact CZ-OD1 2.7Å; R498-D562 IonicContact CZ-OD2 2.78Å; R498-D562 VanDerWaalsContact NH1-CG 3.28Å; R498-D562 IonicContact NH1-OD1 3.58Å; R498-D562 PolarHBondContact NH1-OD1 3Å; R498-D562 IonicContact NH1-OD2 3.46Å; R498-D562 PolarHBondContact NH1-OD2 3.42Å; R498-D562 IonicContact NH2-OD2 3.08Å; R498-D562 PolarHBondContact NH2-OD2 3.13Å
499	L	89.3	Confident	88.8	Confident	72 Å²	72	38 Å²	38	38%	0.377	18%	0.178	S	C	.	.	H	α-helix	trans	-60	-49.3	178.1	-177.2	66.3	0	0	0	111.5	Y117 K495 L496 G497 G501 R502 Y503	Y117-L499 WeakPolarHBondContact OH-CD1 3.35Å; Y117-L499 VanDerWaalsContact OH-CD2 3.29Å; Y117-L499 WeakPolarHBondContact OH-CD2 3.38Å; K495-L499 PolarHBondContact O-N 2.73Å; L496-L499 WeakPolarHBondContact O-CB 3.22Å; L496-L499 PolarHBondContact O-N 3.26Å; G497-L499 VanDerWaalsContact C-N 3.34Å; G497-L499 PolarHBondContact O-N 3.31Å; L499-G501 VanDerWaalsContact C-N 3.31Å; L499-G501 PolarHBondContact O-N 3.48Å; L499-R502 PolarHBondContact O-N 3.14Å; L499-Y503 PolarHBondContact O-N 2.99Å
500	C	88.3	Confident	87.8	Confident	19 Å²	19	41.8 Å²	41.8	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-38.7	176.7	-66.9	0	0	0	0	112.2	F245 I472 L496 G497 Y503 F504	F245-C500 HydrophobicContact CE2-CB 4.08Å; F245-C500 HydrophobicContact CZ-CB 3.88Å; I472-C500 HydrophobicContact CG2-CB 3.92Å; L496-C500 PolarHBondContact O-N 3.25Å; L496-C500 PolarHBondContact O-SG 3.03Å; L496-C500 VanDerWaalsContact O-SG 3.38Å; G497-C500 PolarHBondContact O-N 3.22Å; C500-Y503 PolarHBondContact O-N 3.4Å; C500-F504 WeakPolarHBondContact O-CB 3.47Å; C500-F504 PolarHBondContact O-N 3.46Å
501	G	86.5	Confident	86.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-45.8	174	0	0	0	0	0	112.8	G497 R498 L499 F504 L505	G497-G501 PolarHBondContact O-N 3.34Å; R498-G501 PolarHBondContact O-N 3.34Å; L499-G501 VanDerWaalsContact C-N 3.31Å; L499-G501 PolarHBondContact O-N 3.48Å; G501-F504 PolarHBondContact O-N 3.16Å; G501-L505 VanDerWaalsContact O-CG 3.26Å; G501-L505 WeakPolarHBondContact O-CG 3.33Å; G501-L505 PolarHBondContact O-N 3.01Å
502	R	87	Confident	86	Confident	100 Å²	100	44 Å²	44	38%	0.377	21%	0.209	S	C	.	.	H	α-helix	trans	-61.3	-45	175	-69.6	174.9	-166.8	178.8	4.8	112	E252 R498 L499 F504 L505 A506	E252-R502 HydrophobicContact CG-CG 4.23Å; E252-R502 IonicContact OE1-CZ 2.95Å; E252-R502 IonicContact OE1-NE 2.78Å; E252-R502 PolarHBondContact OE1-NE 2.97Å; E252-R502 IonicContact OE1-NH2 2.63Å; E252-R502 PolarHBondContact OE1-NH2 3.22Å; E252-R502 WeakPolarHBondContact OE2-CD 3.3Å; E252-R502 WeakPolarHBondContact OE2-CG 3.25Å; E252-R502 IonicContact OE2-CZ 3.37Å; E252-R502 IonicContact OE2-NE 3.13Å; E252-R502 PolarHBondContact OE2-NE 3.18Å; E252-R502 IonicContact OE2-NH2 3.33Å; R498-R502 WeakPolarHBondContact O-CG 3.2Å; R498-R502 PolarHBondContact O-N 3.32Å; L499-R502 PolarHBondContact O-N 3.14Å; R502-F504 VanDerWaalsContact C-N 3.34Å; R502-F504 PolarHBondContact O-N 3.34Å; R502-L505 PolarHBondContact O-N 2.89Å; R502-A506 WeakPolarHBondContact O-CB 3.35Å; R502-A506 PolarHBondContact O-N 3.22Å
503	Y	80.9	Confident	84.9	Confident	125 Å²	125	40.6 Å²	40.6	49%	0.49	20%	0.196	S	C	.	.	H	α-helix	trans	-59.6	-46.3	177.8	179.5	-97.8	0	0	0	111.1	L499 C500 L505 A506 T507	L499-Y503 PolarHBondContact O-N 2.99Å; C500-Y503 PolarHBondContact O-N 3.4Å; Y503-L505 PolarHBondContact O-N 3.22Å; Y503-A506 PolarHBondContact O-N 2.92Å; Y503-T507 HydrophobicContact CD2-CG2 4.31Å; Y503-T507 HydrophobicContact CE1-CG2 4.17Å; Y503-T507 HydrophobicContact CE2-CG2 3.89Å; Y503-T507 WeakPolarHBondContact O-CB 3.5Å; Y503-T507 WeakPolarHBondContact O-CG2 3.2Å; Y503-T507 PolarHBondContact O-N 2.93Å; Y503-T507 PolarHBondContact O-OG1 2.91Å
504	F	86.8	Confident	83.1	Confident	9 Å²	9	50.2 Å²	50.2	4%	0.039	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-47.1	175.5	-178.6	-90.5	0	0	0	112.1	F253 F258 V411 F470 I472 C500 G501 R502 A506 T507 V508 G509 L512	F253-F504 AromaticContact CE1-CD1 3.71Å; F253-F504 HydrophobicContact CE1-CD1 3.71Å; F253-F504 HydrophobicContact CE1-CE1 4.36Å; F253-F504 HydrophobicContact CE1-CG 4.47Å; F253-F504 AromaticContact CZ-CD1 3.54Å; F253-F504 HydrophobicContact CZ-CD1 3.54Å; F253-F504 AromaticContact CZ-CE1 3.81Å; F253-F504 HydrophobicContact CZ-CE1 3.81Å; F253-F504 HydrophobicContact CZ-CG 4.33Å; F258-F504 HydrophobicContact CE1-CD1 4.49Å; F258-F504 AromaticContact CE1-CE1 3.89Å; F258-F504 HydrophobicContact CE1-CE1 3.89Å; F258-F504 AromaticContact CZ-CE1 3.96Å; F258-F504 HydrophobicContact CZ-CE1 3.96Å; V411-F504 HydrophobicContact CB-CZ 4.42Å; V411-F504 HydrophobicContact CG1-CE1 4.27Å; V411-F504 HydrophobicContact CG1-CE2 4.1Å; V411-F504 HydrophobicContact CG1-CZ 3.72Å; V411-F504 HydrophobicContact CG2-CZ 3.75Å; F470-F504 HydrophobicContact CB-CE2 3.97Å; I472-F504 HydrophobicContact CD1-CB 3.8Å; I472-F504 HydrophobicContact CD1-CD1 3.89Å; I472-F504 HydrophobicContact CD1-CD2 3.56Å; I472-F504 HydrophobicContact CD1-CE1 4.36Å; I472-F504 HydrophobicContact CD1-CE2 4.05Å; I472-F504 HydrophobicContact CD1-CG 3.45Å; I472-F504 VanDerWaalsContact CD1-CG 3.45Å; I472-F504 HydrophobicContact CD1-CZ 4.43Å; I472-F504 HydrophobicContact CG1-CB 4.17Å; I472-F504 HydrophobicContact CG1-CD2 3.53Å; I472-F504 HydrophobicContact CG1-CE2 4.06Å; I472-F504 HydrophobicContact CG1-CG 3.9Å; C500-F504 WeakPolarHBondContact O-CB 3.47Å; C500-F504 PolarHBondContact O-N 3.46Å; G501-F504 PolarHBondContact O-N 3.16Å; R502-F504 VanDerWaalsContact C-N 3.34Å; R502-F504 PolarHBondContact O-N 3.34Å; F504-A506 VanDerWaalsContact C-N 3.29Å; F504-A506 PolarHBondContact O-N 2.78Å; F504-T507 PolarHBondContact O-N 3.32Å; F504-T507 PolarHBondContact O-OG1 3.3Å; F504-V508 HydrophobicContact CD2-CB 3.97Å; F504-V508 HydrophobicContact CD2-CG1 4.48Å; F504-V508 HydrophobicContact CD2-CG2 4.31Å; F504-V508 HydrophobicContact CE1-CB 4.45Å; F504-V508 HydrophobicContact CE2-CB 3.66Å; F504-V508 HydrophobicContact CE2-CG1 3.67Å; F504-V508 HydrophobicContact CE2-CG2 4.19Å; F504-V508 HydrophobicContact CZ-CB 3.92Å; F504-V508 HydrophobicContact CZ-CG1 3.68Å; F504-V508 PolarHBondContact O-N 3.27Å; F504-G509 PolarHBondContact O-N 2.99Å; F504-L512 HydrophobicContact CE1-CD1 4.1Å; F504-L512 HydrophobicContact CZ-CD1 3.74Å
505	L	82.8	Confident	81	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-61	-37.6	178.5	-70.3	167.5	0	0	0	112.6	E252 F253 A256 F258 G501 R502 Y503 P517	E252-L505 HydrophobicContact CB-CD1 4.42Å; F253-L505 HydrophobicContact CD1-CD1 4.1Å; F253-L505 HydrophobicContact CD1-CD2 3.91Å; F253-L505 HydrophobicContact CD1-CG 3.97Å; F253-L505 HydrophobicContact CE1-CD2 4.07Å; F253-L505 HydrophobicContact CE1-CG 4.02Å; A256-L505 HydrophobicContact CB-CD1 3.59Å; A256-L505 HydrophobicContact CB-CD2 4.28Å; F258-L505 HydrophobicContact CB-CD2 3.43Å; F258-L505 VanDerWaalsContact CB-CD2 3.43Å; F258-L505 HydrophobicContact CD1-CD2 3.56Å; F258-L505 HydrophobicContact CD2-CD2 3.74Å; F258-L505 HydrophobicContact CE1-CD2 4.21Å; F258-L505 HydrophobicContact CE2-CD2 4.37Å; F258-L505 HydrophobicContact CG-CD2 3.28Å; G501-L505 VanDerWaalsContact O-CG 3.26Å; G501-L505 WeakPolarHBondContact O-CG 3.33Å; G501-L505 PolarHBondContact O-N 3.01Å; R502-L505 PolarHBondContact O-N 2.89Å; Y503-L505 PolarHBondContact O-N 3.22Å; L505-P517 HydrophobicContact CB-CG 4.41Å; L505-P517 HydrophobicContact CD2-CB 4.05Å; L505-P517 HydrophobicContact CD2-CG 4.07Å
506	A	75.8	Confident	78.7	Confident	27 Å²	27	56.3 Å²	56.3	22%	0.223	28%	0.278	C	S	.	.	I	π-helix	trans	-72.1	-33.2	-179.9	0	0	0	0	0	113.3	R502 Y503 F504	R502-A506 WeakPolarHBondContact O-CB 3.35Å; R502-A506 PolarHBondContact O-N 3.22Å; Y503-A506 PolarHBondContact O-N 2.92Å; F504-A506 VanDerWaalsContact C-N 3.29Å; F504-A506 PolarHBondContact O-N 2.78Å
507	T	75.2	Confident	76.7	Confident	37 Å²	37	55.8 Å²	55.8	23%	0.227	28%	0.276	C	S	.	.	I	π-helix	trans	-99.8	-61.8	-173.2	54.2	0	0	0	0	113	Y503 F504	Y503-T507 HydrophobicContact CD2-CG2 4.31Å; Y503-T507 HydrophobicContact CE1-CG2 4.17Å; Y503-T507 HydrophobicContact CE2-CG2 3.89Å; Y503-T507 WeakPolarHBondContact O-CB 3.5Å; Y503-T507 WeakPolarHBondContact O-CG2 3.2Å; Y503-T507 PolarHBondContact O-N 2.93Å; Y503-T507 PolarHBondContact O-OG1 2.91Å; F504-T507 PolarHBondContact O-N 3.32Å; F504-T507 PolarHBondContact O-OG1 3.3Å
508	V	79.2	Confident	74.8	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.158	30%	0.295	C	S	.	.	I	π-helix	trans	-96.9	-32.7	-173.8	-179	0	0	0	0	112	F470 F504 K510 L511 L512	F470-V508 HydrophobicContact CD1-CG1 3.68Å; F470-V508 HydrophobicContact CD1-CG2 4.13Å; F470-V508 HydrophobicContact CD2-CG1 4.17Å; F470-V508 HydrophobicContact CE1-CG1 3.76Å; F470-V508 HydrophobicContact CE1-CG2 4.36Å; F470-V508 HydrophobicContact CE2-CG1 4.24Å; F470-V508 HydrophobicContact CG-CG1 3.89Å; F470-V508 HydrophobicContact CZ-CG1 4.04Å; F504-V508 HydrophobicContact CD2-CB 3.97Å; F504-V508 HydrophobicContact CD2-CG1 4.48Å; F504-V508 HydrophobicContact CD2-CG2 4.31Å; F504-V508 HydrophobicContact CE1-CB 4.45Å; F504-V508 HydrophobicContact CE2-CB 3.66Å; F504-V508 HydrophobicContact CE2-CG1 3.67Å; F504-V508 HydrophobicContact CE2-CG2 4.19Å; F504-V508 HydrophobicContact CZ-CB 3.92Å; F504-V508 HydrophobicContact CZ-CG1 3.68Å; F504-V508 PolarHBondContact O-N 3.27Å; V508-K510 PolarHBondContact O-N 3.37Å; V508-K510 VanDerWaalsContact O-N 3.13Å; V508-L511 WeakPolarHBondContact O-CB 3.22Å; V508-L511 PolarHBondContact O-N 3.2Å; V508-L512 HydrophobicContact CG1-CD1 4.09Å; V508-L512 HydrophobicContact CG1-CG 4.29Å
509	G	75.6	Confident	72.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	I	π-helix	trans	-53.9	-39.8	-173.8	0	0	0	0	0	113.2	F258 F504 L511 L512 T513	F258-G509 WeakPolarHBondContact CE2-O 3.37Å; F504-G509 PolarHBondContact O-N 2.99Å; G509-L511 PolarHBondContact O-N 2.86Å; G509-L512 PolarHBondContact O-N 2.87Å; G509-L512 VanDerWaalsContact O-N 3.09Å; G509-T513 PolarHBondContact O-N 3.47Å; G509-T513 PolarHBondContact O-OG1 3.14Å; G509-T513 VanDerWaalsContact O-OG1 3.11Å
510	K	73.4	Confident	70	Confident	95 Å²	95	69.4 Å²	69.4	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-25.7	176.6	-65.8	179.1	-177.3	-179.1	0	114.4	V508 L512 A516	V508-K510 PolarHBondContact O-N 3.37Å; V508-K510 VanDerWaalsContact O-N 3.13Å; K510-L512 VanDerWaalsContact C-N 3.33Å; K510-A516 HydrophobicContact CG-CB 4.2Å
511	L	74.7	Confident	67.6	Low	129 Å²	129	76 Å²	76	68%	0.675	37%	0.369	S	S	*	.	H	α-helix	trans	-80.7	-17.4	178.2	-58.8	173.6	0	0	0	112.2	V508 G509	V508-L511 WeakPolarHBondContact O-CB 3.22Å; V508-L511 PolarHBondContact O-N 3.2Å; G509-L511 PolarHBondContact O-N 2.86Å
512	L	80.8	Confident	65.2	Low	13 Å²	13	83.6 Å²	83.6	7%	0.068	41%	0.409	C	S	.	.	H	α-helix	trans	-99.2	-12.3	-175.4	-60.3	179	0	0	0	113.3	I232 F258 P260 T409 V411 F470 F504 V508 G509 K510	I232-L512 HydrophobicContact CD1-CB 4.39Å; I232-L512 HydrophobicContact CD1-CD2 4.4Å; F258-L512 HydrophobicContact CE2-CB 4.33Å; F258-L512 HydrophobicContact CZ-CB 4.17Å; F258-L512 HydrophobicContact CZ-CD1 4.04Å; P260-L512 WeakPolarHBondContact CB-O 3.09Å; P260-L512 HydrophobicContact CG-CB 4.21Å; T409-L512 HydrophobicContact CG2-CD2 3.9Å; V411-L512 HydrophobicContact CG2-CD1 3.66Å; F470-L512 HydrophobicContact CE2-CD2 4.2Å; F504-L512 HydrophobicContact CE1-CD1 4.1Å; F504-L512 HydrophobicContact CZ-CD1 3.74Å; V508-L512 HydrophobicContact CG1-CD1 4.09Å; V508-L512 HydrophobicContact CG1-CG 4.29Å; G509-L512 PolarHBondContact O-N 2.87Å; G509-L512 VanDerWaalsContact O-N 3.09Å; K510-L512 VanDerWaalsContact C-N 3.33Å
513	T	72.3	Confident	62.7	Low	32 Å²	32	84.6 Å²	84.6	20%	0.196	43%	0.426	C	S	.	.			trans	-128.2	139.6	-177.2	49.9	0	0	0	0	110.7	F258 P260 G509 K515	F258-T513 HydrophobicContact CD2-CG2 3.7Å; F258-T513 HydrophobicContact CE2-CG2 3.54Å; P260-T513 HydrophobicContact CB-CG2 3.74Å; P260-T513 HydrophobicContact CG-CG2 3.95Å; G509-T513 PolarHBondContact O-N 3.47Å; G509-T513 PolarHBondContact O-OG1 3.14Å; G509-T513 VanDerWaalsContact O-OG1 3.11Å; T513-K515 VanDerWaalsContact CB-O 3.29Å; T513-K515 WeakPolarHBondContact CB-O 3.46Å; T513-K515 PolarHBondContact O-N 2.83Å; T513-K515 PolarHBondContact OG1-O 3.39Å
514	E	59.7	Low	60.6	Low	204 Å²	204	83.3 Å²	83.3	95%	0.953	43%	0.433	S	S	*	.	S	Bend	trans	-62.4	-30.5	173	-65.1	-176.3	168.7	0	0	112.8
515	K	53.2	Low	58.3	Low	179 Å²	179	89 Å²	89	78%	0.778	47%	0.468	S	S	*	.	S	Bend	trans	-108.2	129.7	176.3	-67.7	-179.3	-178.6	176.4	0	110	T513	T513-K515 VanDerWaalsContact CB-O 3.29Å; T513-K515 WeakPolarHBondContact CB-O 3.46Å; T513-K515 PolarHBondContact O-N 2.83Å; T513-K515 PolarHBondContact OG1-O 3.39Å
516	A	46.4	Very low	56.5	Low	57 Å²	57	94.7 Å²	94.7	47%	0.471	50%	0.502	S	S	.	.			trans	-59.2	131.8	178.7	0	0	0	0	0	110.9	K510 L518	K510-A516 HydrophobicContact CG-CB 4.2Å; A516-L518 PolarHBondContact O-N 3.42Å; A516-L518 VanDerWaalsContact O-N 3.13Å
517	P	53	Low	55	Low	18 Å²	18	98.7 Å²	98.7	12%	0.117	52%	0.524	C	S	.	.	S	Bend	trans	-71.1	-8.4	-173.9	25.7	-33.5	0	0	0	114.5	A256 F258 L505	A256-P517 HydrophobicContact CB-CB 4.31Å; F258-P517 HydrophobicContact CB-CB 4.2Å; F258-P517 HydrophobicContact CD2-CB 3.96Å; F258-P517 HydrophobicContact CD2-CG 4.18Å; F258-P517 HydrophobicContact CG-CB 4.48Å; L505-P517 HydrophobicContact CB-CG 4.41Å; L505-P517 HydrophobicContact CD2-CB 4.05Å; L505-P517 HydrophobicContact CD2-CG 4.07Å
518	L	52.6	Low	53.5	Low	76 Å²	76	102.3 Å²	102.3	40%	0.398	55%	0.549	S	S	.	.			trans	-123.9	103.6	178.1	-66.5	171.4	0	0	0	109.5	A256 A516 R520	A256-L518 HydrophobicContact CB-CD2 4.42Å; A516-L518 PolarHBondContact O-N 3.42Å; A516-L518 VanDerWaalsContact O-N 3.13Å; L518-R520 PolarHBondContact O-N 3.26Å
519	T	44.7	Very low	52	Low	111 Å²	111	109.8 Å²	109.8	68%	0.681	58%	0.582	S	S	*	*			trans	-70.5	113.6	159.3	-29.4	0	0	0	0	106.3	H521	T519-H521 PolarHBondContact O-N 3.06Å
520	R	41	Very low	50.6	Low	201 Å²	201	115 Å²	115	76%	0.758	62%	0.618	S	S	*	*			trans	-63.7	93.8	168.2	-79.7	-178.1	172.8	168.9	-3.1	107.2	L518 L522	L518-R520 PolarHBondContact O-N 3.26Å; R520-L522 PolarHBondContact O-N 3.4Å
521	H	38.7	Very low	49.4	Very low	158 Å²	158	117.5 Å²	117.5	73%	0.731	63%	0.634	S	S	*	*			trans	-67.3	96.4	157.6	-68	-67.6	0	0	0	105.6	T519 V523	T519-H521 PolarHBondContact O-N 3.06Å; H521-V523 PolarHBondContact O-N 3.05Å
522	L	36.6	Very low	48.3	Very low	158 Å²	158	117.4 Å²	117.4	83%	0.827	64%	0.639	S	S	*	*			trans	-57.4	103.9	152.2	-73.1	167.4	0	0	0	104.1	R520 P524	R520-L522 PolarHBondContact O-N 3.4Å; L522-P524 WeakPolarHBondContact O-CD 3.31Å; L522-P524 VanDerWaalsContact O-N 3.08Å
523	V	34.3	Very low	46.6	Very low	121 Å²	121	123.5 Å²	123.5	73%	0.733	67%	0.67	S	S	*	*			trans	-56.5	116.1	162.9	179	0	0	0	0	103.9	H521 V525	H521-V523 PolarHBondContact O-N 3.05Å; V523-V525 PolarHBondContact O-N 2.65Å
524	P	35.7	Very low	45.9	Very low	98 Å²	98	126.7 Å²	126.7	64%	0.636	69%	0.692	S	S	*	*			trans	-56.4	123	168.4	-14.4	28.3	0	0	0	104.9	L522 V526	L522-P524 WeakPolarHBondContact O-CD 3.31Å; L522-P524 VanDerWaalsContact O-N 3.08Å; P524-V526 HydrophobicContact CB-CG2 4.46Å; P524-V526 PolarHBondContact O-N 2.65Å
525	V	39.9	Very low	45.4	Very low	130 Å²	130	123 Å²	123	79%	0.788	69%	0.685	S	S	*	*			trans	-63.5	92	167.2	177.6	0	0	0	0	105.1	V523 T527	V523-V525 PolarHBondContact O-N 2.65Å; V525-T527 HydrophobicContact CG1-CG2 4.34Å; V525-T527 PolarHBondContact O-N 3.06Å
526	V	44.4	Very low	45	Very low	118 Å²	118	119 Å²	119	72%	0.715	69%	0.686	S	S	*	*			trans	-73.6	91.1	166	-177.8	0	0	0	0	104.2	P524 P528	P524-V526 HydrophobicContact CB-CG2 4.46Å; P524-V526 PolarHBondContact O-N 2.65Å; V526-P528 WeakPolarHBondContact O-CD 3.41Å
527	T	43.7	Very low	45.1	Very low	112 Å²	112	122.4 Å²	122.4	69%	0.687	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-57	116.6	158	36.7	0	0	0	0	106.2	V525 E529	V525-T527 HydrophobicContact CG1-CG2 4.34Å; V525-T527 PolarHBondContact O-N 3.06Å; T527-E529 PolarHBondContact O-N 2.95Å
528	P	44.2	Very low	44.5	Very low	113 Å²	113	128.5 Å²	128.5	73%	0.734	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-58.8	129	178.5	22.9	-30.4	0	0	0	108.3	V526 S530	V526-P528 WeakPolarHBondContact O-CD 3.41Å; P528-S530 PolarHBondContact O-N 3.4Å
529	E	48.1	Very low	44	Very low	183 Å²	183	128.7 Å²	128.7	86%	0.855	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-56	136	165	-78.2	-173.6	163.3	0	0	107.9	T527 I531	T527-E529 PolarHBondContact O-N 2.95Å; E529-I531 PolarHBondContact O-N 3.28Å
530	S	45.2	Very low	43.9	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	76%	0.757	S	S	*	*			trans	-58.2	103.3	177.9	54.1	0	0	0	0	109.4	P528 V532	P528-S530 PolarHBondContact O-N 3.4Å; S530-V532 PolarHBondContact O-N 2.71Å
531	I	49.5	Very low	44	Very low	146 Å²	146	128.9 Å²	128.9	75%	0.749	76%	0.764	S	S	*	*			trans	-69.5	102.8	175.5	-55.9	179.1	0	0	0	107.5	E529 I533	E529-I531 PolarHBondContact O-N 3.28Å; I531-I533 HydrophobicContact CG2-CD1 4.5Å; I531-I533 HydrophobicContact CG2-CG1 3.58Å; I531-I533 PolarHBondContact O-N 2.7Å
532	V	50.5	Low	43.9	Very low	127 Å²	127	127 Å²	127	77%	0.77	76%	0.763	S	S	*	*			trans	-77.7	105.1	160.6	-179.9	0	0	0	0	106.1	S530 P534	S530-V532 PolarHBondContact O-N 2.71Å; V532-P534 WeakPolarHBondContact O-CD 3.34Å
533	I	45.9	Very low	44.1	Very low	141 Å²	141	126.9 Å²	126.9	72%	0.723	76%	0.763	S	S	*	*			trans	-83.4	111.3	179.2	-55.9	173.5	0	0	0	108.6	I531	I531-I533 HydrophobicContact CG2-CD1 4.5Å; I531-I533 HydrophobicContact CG2-CG1 3.58Å; I531-I533 PolarHBondContact O-N 2.7Å
534	P	57.5	Low	44.5	Very low	100 Å²	100	126.8 Å²	126.8	65%	0.649	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-73.9	147.6	163.9	30.8	-32.9	0	0	0	110.3	V532	V532-P534 WeakPolarHBondContact O-CD 3.34Å
535	P	48.1	Very low	44.6	Very low	126 Å²	126	126.3 Å²	126.3	82%	0.818	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-70.6	131.7	-175.7	27.1	-31.9	0	0	0	112
536	A	44.5	Very low	44.5	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-82.3	140.8	-175.8	0	0	0	0	0	113.6
537	P	49.7	Very low	44.3	Very low	129 Å²	129	130 Å²	130	84%	0.838	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-98.4	154.3	157.4	7.5	13	0	0	0	112.3
538	V	40	Very low	43.8	Very low	145 Å²	145	129 Å²	129	88%	0.879	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-96.7	150.7	-163.4	-158.2	0	0	0	0	112.1
539	A	42.4	Very low	43.5	Very low	80 Å²	80	131 Å²	131	66%	0.661	78%	0.779	S	S	*	*			trans	121.5	119.3	141.1	0	0	0	0	0	118.6
540	N	42.1	Very low	43.2	Very low	149 Å²	149	126.4 Å²	126.4	80%	0.797	77%	0.773	S	S	*	*			trans	58	115.8	137.9	-62.6	-7.7	0	0	0	121.4
541	D	42.4	Very low	42.8	Very low	168 Å²	168	127.4 Å²	127.4	90%	0.898	78%	0.776	S	S	*	*				-166	161.9	116.5	-97.7	-25.2	0	0	0	112.8
542	T	37.1	Very low	42.2	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	78%	0.779	S	S	*	*			trans	-123	159.5	-154	-30.9	0	0	0	0	112.3
543	L	41.3	Very low	41.3	Very low	157 Å²	157	127 Å²	127	82%	0.822	78%	0.779	S	S	*	*			trans	87.4	145.7	159.1	-53.7	157.4	0	0	0	117.3
544	V	42	Very low	41	Very low	119 Å²	119	124.6 Å²	124.6	72%	0.721	77%	0.767	S	S	*	*			cis	-173.1	131.7	-6.3	141.6	0	0	0	0	108
545	A	37.9	Very low	40	Very low	87 Å²	87	123.2 Å²	123.2	72%	0.719	76%	0.755	S	S	*	*			trans	35	154.3	134.1	0	0	0	0	0	122.8
546	E	38.2	Very low	39.4	Very low	182 Å²	182	122.5 Å²	122.5	85%	0.85	75%	0.75	S	S	*	*			cis	-147.7	169.4	11.7	-71.2	-175.7	135.8	0	0	108.9
547	V	40.2	Very low	38.8	Very low	143 Å²	143	122.6 Å²	122.6	87%	0.867	74%	0.741	S	S	*	*				-175	144.1	92.3	164.4	0	0	0	0	110.9
548	S	33.3	Very low	38.2	Very low	91 Å²	91	124 Å²	124	64%	0.636	73%	0.734	S	S	*	*			trans	-71.6	153.3	-175.3	167	0	0	0	0	117
549	D	38.1	Very low	38.1	Very low	156 Å²	156	122.7 Å²	122.7	83%	0.834	72%	0.722	S	S	*	*				-175.5	140.5	115.7	-88.4	-14	0	0	0	116.6
550	A	40.4	Very low	38	Very low	87 Å²	87	126.3 Å²	126.3	72%	0.719	73%	0.73	S	S	*	*			trans	89.6	110.3	170.2	0	0	0	0	0	118.9	Q552	A550-Q552 PolarHBondContact O-N 3.4Å
551	P	37.9	Very low	37.8	Very low	130 Å²	130	126.3 Å²	126.3	84%	0.844	73%	0.726	S	S	*	*			trans	-75.6	112.8	174.3	29.6	-29.4	0	0	0	110.6	A553	P551-A553 PolarHBondContact O-N 2.92Å
552	Q	36.6	Very low	37.7	Very low	172 Å²	172	122.9 Å²	122.9	80%	0.804	71%	0.707	S	S	*	*			trans	-62.1	96.4	160.5	-85.6	-168.6	-29.5	0	0	109.1	A550 N554	A550-Q552 PolarHBondContact O-N 3.4Å; Q552-N554 PolarHBondContact O-N 3.46Å
553	A	32.5	Very low	37.3	Very low	93 Å²	93	125.5 Å²	125.5	77%	0.769	72%	0.716	S	S	*	*			trans	-75.8	64.7	165.8	0	0	0	0	0	109.9	P551	P551-A553 PolarHBondContact O-N 2.92Å
554	N	39.4	Very low	36.9	Very low	90 Å²	90	125.1 Å²	125.1	48%	0.481	74%	0.735	S	S	.	*	S	Bend	trans	-160.5	89.1	162.5	-91.4	-29.6	0	0	0	107.2	Q552	Q552-N554 PolarHBondContact O-N 3.46Å
555	D	36	Very low	36.6	Very low	72 Å²	72	125.5 Å²	125.5	39%	0.385	74%	0.736	S	S	.	*			trans	2.3	104.7	159.2	-161.9	-13.9	0	0	0	115	T557	D555-T557 PolarHBondContact O-N 3.08Å; D555-T557 WeakPolarHBondContact OD1-CB 3.36Å; D555-T557 WeakPolarHBondContact OD1-CG2 3.29Å; D555-T557 PolarHBondContact OD1-N 3.3Å; D555-T557 VanDerWaalsContact OD1-N 3.14Å; D555-T557 PolarHBondContact OD1-OG1 2.8Å; D555-T557 PolarHBondContact OD2-OG1 3.28Å
556	P	34.8	Very low	36.6	Very low	110 Å²	110	127.5 Å²	127.5	71%	0.714	74%	0.737	S	S	*	*	S	Bend	trans	-71.2	9.3	177.3	28	-32	0	0	0	113.6	F558	P556-F558 PolarHBondContact O-N 2.88Å
557	T	32.5	Very low	36.5	Very low	98 Å²	98	124.4 Å²	124.4	60%	0.601	73%	0.731	S	S	*	*			trans	-82.6	56	172	63.8	0	0	0	0	112.1	D555	D555-T557 PolarHBondContact O-N 3.08Å; D555-T557 WeakPolarHBondContact OD1-CB 3.36Å; D555-T557 WeakPolarHBondContact OD1-CG2 3.29Å; D555-T557 PolarHBondContact OD1-N 3.3Å; D555-T557 VanDerWaalsContact OD1-N 3.14Å; D555-T557 PolarHBondContact OD1-OG1 2.8Å; D555-T557 PolarHBondContact OD2-OG1 3.28Å
558	F	37.4	Very low	36.2	Very low	158 Å²	158	123.4 Å²	123.4	69%	0.693	72%	0.723	S	S	*	*			trans	-116	65.3	167.8	-85.1	-83.1	0	0	0	110.1	P556	P556-F558 PolarHBondContact O-N 2.88Å
559	N	38.1	Very low	36.4	Very low	117 Å²	117	125.4 Å²	125.4	63%	0.626	73%	0.728	S	S	*	*	S	Bend	trans	-146.1	93.2	172.4	44.4	-6.4	0	0	0	107.6
560	N	39.4	Very low	36.3	Very low	156 Å²	156	123.3 Å²	123.3	83%	0.834	72%	0.721	S	S	*	*	S	Bend	trans	141.6	-0.2	154	-67.2	-18.1	0	0	0	116.8
561	E	38.6	Very low	36	Very low	150 Å²	150	125.9 Å²	125.9	70%	0.701	72%	0.721	S	S	*	*	S	Bend	trans	-103.1	2.6	177.1	-73.1	-154.7	165.7	0	0	115.9
562	D	39.8	Very low	35.9	Very low	95 Å²	95	125.6 Å²	125.6	51%	0.508	71%	0.712	S	S	.	*	S	Bend	trans	-111.1	18.6	-172.3	-107.5	18.2	0	0	0	114.7	R498	R498-D562 IonicContact CZ-OD1 2.7Å; R498-D562 IonicContact CZ-OD2 2.78Å; R498-D562 VanDerWaalsContact NH1-CG 3.28Å; R498-D562 IonicContact NH1-OD1 3.58Å; R498-D562 PolarHBondContact NH1-OD1 3Å; R498-D562 IonicContact NH1-OD2 3.46Å; R498-D562 PolarHBondContact NH1-OD2 3.42Å; R498-D562 IonicContact NH2-OD2 3.08Å; R498-D562 PolarHBondContact NH2-OD2 3.13Å
563	L	30	Very low	35.8	Very low	173 Å²	173	121.8 Å²	121.8	91%	0.906	70%	0.704	S	S	*	*			trans	-112.9	69.5	170.9	-65.8	175	0	0	0	110.7
564	A	31.4	Very low	36.1	Very low	149 Å²	149	124.4 Å²	124.4	100%	1.231	70%	0.698	S	S	*	*			trans	-155.8	0	161.7	0	0	0	0	0	109.9

Retrieved 564 of 564 residues in 541.4 ms (Link to these results)

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