X2JG03_DROME Loading...

Phantom, isoform B

AlphaFold DB (Q9VWR5), UniProt , Accession X2JG03, Species DROME (Drosophila melanogaster, Fruit fly), Gene phtm, Length 574 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	38.8	Very low	41.6	Very low	246 Å²	246	141.1 Å²	141.1	100%	1.212	81%	0.811	S	S	*	*				0	117.2	0	-76.4	172.6	158.3	0	0	106.3
2	S	39.9	Very low	41.9	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	81%	0.806	S	S	*	*			trans	-61.4	132.4	-173.5	47.2	0	0	0	0	110.8	D4	S2-D4 PolarHBondContact O-N 2.97Å
3	A	41.5	Very low	42.4	Very low	99 Å²	99	142.5 Å²	142.5	82%	0.818	81%	0.811	S	S	*	*			trans	-71.8	114.9	170.3	0	0	0	0	0	108.4	I5	A3-I5 PolarHBondContact O-N 3.38Å
4	D	44.2	Very low	42.6	Very low	141 Å²	141	145.2 Å²	145.2	75%	0.754	82%	0.816	S	S	*	*			trans	-65.1	120.7	176.5	-68.5	-41.3	0	0	0	109.8	S2 V6	S2-D4 PolarHBondContact O-N 2.97Å; D4-V6 PolarHBondContact O-N 2.91Å; D4-V6 VanDerWaalsContact O-N 3.08Å
5	I	43.2	Very low	42.9	Very low	165 Å²	165	141.7 Å²	141.7	85%	0.846	80%	0.802	S	S	*	*			trans	-67.8	104	169.7	-65	170.2	0	0	0	106	A3 D7	A3-I5 PolarHBondContact O-N 3.38Å; I5-D7 PolarHBondContact O-N 3.44Å
6	V	43.2	Very low	44	Very low	126 Å²	126	137.3 Å²	137.3	76%	0.764	78%	0.783	S	S	*	*			trans	-67.3	105.6	172.1	176.7	0	0	0	0	107.5	D4 I8	D4-V6 PolarHBondContact O-N 2.91Å; D4-V6 VanDerWaalsContact O-N 3.08Å; V6-I8 PolarHBondContact O-N 3.37Å
7	D	39.5	Very low	45.1	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	78%	0.782	S	S	*	*			trans	-54.6	113.1	173.4	-147.1	-9.9	0	0	0	108.8	I5 G9	I5-D7 PolarHBondContact O-N 3.44Å; D7-G9 PolarHBondContact O-N 3.32Å
8	I	41.2	Very low	45.9	Very low	155 Å²	155	137.3 Å²	137.3	80%	0.795	78%	0.777	S	S	*	*			trans	-74.1	81	176.1	-60.2	172.9	0	0	0	106	V6 H10	V6-I8 PolarHBondContact O-N 3.37Å; I8-H10 PolarHBondContact O-N 3.3Å; I8-H10 VanDerWaalsContact O-N 3.08Å
9	G	41.9	Very low	46.9	Very low	58 Å²	58	132.7 Å²	132.7	60%	0.598	75%	0.754	S	S	*	*			trans	-55.1	114.3	175.6	0	0	0	0	0	109.8	D7 T11	D7-G9 PolarHBondContact O-N 3.32Å; G9-T11 PolarHBondContact O-N 3.05Å; G9-T11 VanDerWaalsContact O-N 3.07Å
10	H	40.8	Very low	47.7	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.875	75%	0.746	S	S	*	*			trans	-36.9	110.8	178.3	-71.8	-75.2	0	0	0	112.8	I8 G12	I8-H10 PolarHBondContact O-N 3.3Å; I8-H10 VanDerWaalsContact O-N 3.08Å; H10-G12 VanDerWaalsContact C-N 3.32Å; H10-G12 PolarHBondContact O-N 3.38Å
11	T	43.3	Very low	48.6	Very low	119 Å²	119	128.2 Å²	128.2	73%	0.73	73%	0.731	S	S	*	*			trans	-63.2	95	162.3	45.1	0	0	0	0	107.7	G9 W13	G9-T11 PolarHBondContact O-N 3.05Å; G9-T11 VanDerWaalsContact O-N 3.07Å; T11-W13 VanDerWaalsContact C-N 3.27Å; T11-W13 PolarHBondContact O-N 3.24Å
12	G	46	Very low	50.5	Low	73 Å²	73	122.5 Å²	122.5	75%	0.753	70%	0.703	S	S	*	*			trans	-65.4	83	176.1	0	0	0	0	0	111.2	H10 M14	H10-G12 VanDerWaalsContact C-N 3.32Å; H10-G12 PolarHBondContact O-N 3.38Å; G12-M14 PolarHBondContact O-N 3.34Å; G12-M14 VanDerWaalsContact O-N 3.13Å
13	W	47.8	Very low	52.3	Low	228 Å²	228	123.5 Å²	123.5	86%	0.864	70%	0.7	S	S	*	*			trans	-76.1	21.5	174.7	-89.5	63.4	0	0	0	113.7	T11 P15	T11-W13 VanDerWaalsContact C-N 3.27Å; T11-W13 PolarHBondContact O-N 3.24Å; W13-P15 WeakPolarHBondContact O-CD 3.24Å
14	M	45.5	Very low	54.3	Low	180 Å²	180	124.4 Å²	124.4	89%	0.887	69%	0.69	S	S	*	*			trans	-107.8	100.9	171.4	-76.6	-165.7	170.4	0	0	109.5	G12 S16	G12-M14 PolarHBondContact O-N 3.34Å; G12-M14 VanDerWaalsContact O-N 3.13Å; M14-S16 PolarHBondContact O-N 2.88Å
15	P	47.5	Very low	56.2	Low	92 Å²	92	123 Å²	123	60%	0.597	69%	0.687	S	S	*	*			trans	-62.8	138.5	172.4	26.4	-30.7	0	0	0	109	W13	W13-P15 WeakPolarHBondContact O-CD 3.24Å
16	S	59.7	Low	58.3	Low	71 Å²	71	118.4 Å²	118.4	50%	0.497	67%	0.667	S	S	.	*			trans	-49.3	148.2	-175.6	63.6	0	0	0	0	112.9	M14 Q18 S19	M14-S16 PolarHBondContact O-N 2.88Å; S16-Q18 PolarHBondContact O-N 3.35Å; S16-S19 WeakPolarHBondContact O-CB 3.28Å; S16-S19 PolarHBondContact O-N 3.39Å; S16-S19 PolarHBondContact O-OG 3.26Å
17	V	62.1	Low	60.5	Low	128 Å²	128	114 Å²	114	78%	0.776	65%	0.647	S	S	*	*	H	α-helix	trans	-47.7	-28.8	179.9	-178.6	0	0	0	0	113.5	S19 L20 S21	V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.9Å; V17-L20 WeakPolarHBondContact O-CB 3.49Å; V17-L20 PolarHBondContact O-N 3.07Å; V17-S21 PolarHBondContact O-N 3.19Å
18	Q	60.5	Low	62.9	Low	147 Å²	147	109.4 Å²	109.4	69%	0.687	63%	0.63	S	S	*	*	H	α-helix	trans	-62.8	-33.1	176.2	-67.4	-176.3	-16.9	0	0	113.6	S16 L20 S21 I22	S16-Q18 PolarHBondContact O-N 3.35Å; Q18-L20 VanDerWaalsContact C-N 3.32Å; Q18-S21 WeakPolarHBondContact CA-OG 3.43Å; Q18-S21 PolarHBondContact O-N 2.76Å; Q18-S21 PolarHBondContact O-OG 3.32Å; Q18-I22 WeakPolarHBondContact O-CG1 3.36Å; Q18-I22 PolarHBondContact O-N 3.1Å
19	S	64	Low	65.3	Low	50 Å²	50	107 Å²	107	35%	0.35	62%	0.618	S	S	.	*	H	α-helix	trans	-68.7	-32	176.5	-45.6	0	0	0	0	111.8	S16 V17	S16-S19 WeakPolarHBondContact O-CB 3.28Å; S16-S19 PolarHBondContact O-N 3.39Å; S16-S19 PolarHBondContact O-OG 3.26Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.9Å
20	L	62.8	Low	67.7	Low	111 Å²	111	108.1 Å²	108.1	58%	0.581	61%	0.613	S	S	*	*	H	α-helix	trans	-68.7	-42.9	177	-122.2	92.1	0	0	0	111.5	V17 Q18 I22 L23 L24	V17-L20 WeakPolarHBondContact O-CB 3.49Å; V17-L20 PolarHBondContact O-N 3.07Å; Q18-L20 VanDerWaalsContact C-N 3.32Å; L20-I22 VanDerWaalsContact C-N 3.26Å; L20-I22 PolarHBondContact O-N 3.2Å; L20-L23 PolarHBondContact O-N 3.06Å; L20-L23 VanDerWaalsContact O-N 3.11Å; L20-L24 PolarHBondContact O-N 2.93Å
21	S	68.2	Low	70.1	Confident	61 Å²	61	104.9 Å²	104.9	43%	0.427	60%	0.602	S	S	.	*	H	α-helix	trans	-62.2	-31.6	179.1	37.1	0	0	0	0	113.6	V17 Q18 L23 L24	V17-S21 PolarHBondContact O-N 3.19Å; Q18-S21 WeakPolarHBondContact CA-OG 3.43Å; Q18-S21 PolarHBondContact O-N 2.76Å; Q18-S21 PolarHBondContact O-OG 3.32Å; S21-L23 VanDerWaalsContact C-N 3.27Å; S21-L23 PolarHBondContact O-N 3.03Å; S21-L24 PolarHBondContact O-N 3.43Å
22	I	76.9	Confident	72.4	Confident	125 Å²	125	102.8 Å²	102.8	64%	0.641	59%	0.589	S	S	*	*	H	α-helix	trans	-68.2	-28.5	177.5	-64.6	167	0	0	0	111.3	Q18 L20 P26	Q18-I22 WeakPolarHBondContact O-CG1 3.36Å; Q18-I22 PolarHBondContact O-N 3.1Å; L20-I22 VanDerWaalsContact C-N 3.26Å; L20-I22 PolarHBondContact O-N 3.2Å; I22-P26 WeakPolarHBondContact O-CD 3.34Å; I22-P26 WeakPolarHBondContact O-CG 3.49Å
23	L	78.4	Confident	74.5	Confident	128 Å²	128	103.5 Å²	103.5	67%	0.67	57%	0.574	S	S	*	*	H	α-helix	trans	-84.1	-22.2	176	-69	170.5	0	0	0	113.3	L20 S21 G27	L20-L23 PolarHBondContact O-N 3.06Å; L20-L23 VanDerWaalsContact O-N 3.11Å; S21-L23 VanDerWaalsContact C-N 3.27Å; S21-L23 PolarHBondContact O-N 3.03Å; L23-G27 PolarHBondContact O-N 3.18Å
24	L	83.9	Confident	76.5	Confident	118 Å²	118	97.6 Å²	97.6	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-64.7	-41.4	-179.9	-71.9	176.3	0	0	0	112.4	L20 S21 G27 A28	L20-L24 PolarHBondContact O-N 2.93Å; S21-L24 PolarHBondContact O-N 3.43Å; L24-G27 PolarHBondContact O-N 3.23Å; L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.23Å; L24-A28 PolarHBondContact O-N 2.84Å
25	V	84.9	Confident	78.4	Confident	111 Å²	111	95.2 Å²	95.2	67%	0.673	54%	0.541	S	S	*	.	H	α-helix	trans	-69.5	-49.8	-177.5	178.3	0	0	0	0	112.1	G27 A28 L29	V25-G27 VanDerWaalsContact C-N 3.33Å; V25-G27 PolarHBondContact O-N 3.13Å; V25-A28 PolarHBondContact O-N 2.96Å; V25-L29 WeakPolarHBondContact O-CB 3.31Å; V25-L29 PolarHBondContact O-N 3.45Å
26	P	87	Confident	80.4	Confident	68 Å²	68	95.2 Å²	95.2	44%	0.442	54%	0.536	S	S	.	.	H	α-helix	trans	-61.9	-39.1	172.3	-21.7	33.3	0	0	0	112.4	I22 L29 V30	I22-P26 WeakPolarHBondContact O-CD 3.34Å; I22-P26 WeakPolarHBondContact O-CG 3.49Å; P26-L29 PolarHBondContact O-N 3.27Å; P26-V30 WeakPolarHBondContact O-CB 3.19Å; P26-V30 VanDerWaalsContact O-CG2 3.27Å; P26-V30 WeakPolarHBondContact O-CG2 3.46Å; P26-V30 PolarHBondContact O-N 3.29Å
27	G	88.6	Confident	81.6	Confident	33 Å²	33	95.2 Å²	95.2	34%	0.34	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-45.7	175.7	0	0	0	0	0	112.4	L23 L24 V25 V30 L31	L23-G27 PolarHBondContact O-N 3.18Å; L24-G27 PolarHBondContact O-N 3.23Å; V25-G27 VanDerWaalsContact C-N 3.33Å; V25-G27 PolarHBondContact O-N 3.13Å; G27-V30 PolarHBondContact O-N 2.94Å; G27-L31 VanDerWaalsContact O-CG 3.31Å; G27-L31 WeakPolarHBondContact O-CG 3.43Å; G27-L31 PolarHBondContact O-N 3.04Å
28	A	89.8	Confident	82.5	Confident	52 Å²	52	94.5 Å²	94.5	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-41.4	174.5	0	0	0	0	0	111.8	L24 V25 L31 V32	L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.23Å; L24-A28 PolarHBondContact O-N 2.84Å; V25-A28 PolarHBondContact O-N 2.96Å; A28-L31 PolarHBondContact O-N 2.82Å; A28-V32 VanDerWaalsContact O-CG2 3.28Å; A28-V32 WeakPolarHBondContact O-CG2 3.42Å; A28-V32 PolarHBondContact O-N 2.88Å
29	L	91.7	Very high	83.4	Confident	106 Å²	106	94 Å²	94	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-63.6	-42.5	176.5	-171.6	72.4	0	0	0	111.6	V25 P26 V32 I33	V25-L29 WeakPolarHBondContact O-CB 3.31Å; V25-L29 PolarHBondContact O-N 3.45Å; P26-L29 PolarHBondContact O-N 3.27Å; L29-V32 PolarHBondContact O-N 3.27Å; L29-I33 HydrophobicContact CD2-CD1 4.41Å; L29-I33 HydrophobicContact CG-CD1 3.98Å; L29-I33 WeakPolarHBondContact O-CB 3Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.3Å; L29-I33 PolarHBondContact O-N 3.42Å
30	V	92	Very high	84.2	Confident	80 Å²	80	97.4 Å²	97.4	49%	0.485	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-44	174.5	169.7	0	0	0	0	110.4	P26 G27 V32 I33 L34	P26-V30 WeakPolarHBondContact O-CB 3.19Å; P26-V30 VanDerWaalsContact O-CG2 3.27Å; P26-V30 WeakPolarHBondContact O-CG2 3.46Å; P26-V30 PolarHBondContact O-N 3.29Å; G27-V30 PolarHBondContact O-N 2.94Å; V30-V32 VanDerWaalsContact C-N 3.35Å; V30-V32 PolarHBondContact O-N 3.08Å; V30-I33 PolarHBondContact O-N 2.99Å; V30-L34 HydrophobicContact CG1-CD1 3.85Å; V30-L34 HydrophobicContact CG1-CG 4.26Å; V30-L34 WeakPolarHBondContact O-CB 3.3Å; V30-L34 WeakPolarHBondContact O-CG 3.45Å; V30-L34 PolarHBondContact O-N 3.43Å
31	L	91.5	Very high	84.9	Confident	121 Å²	121	95.3 Å²	95.3	63%	0.634	52%	0.519	S	S	*	.	H	α-helix	trans	-63	-39.3	175.5	-70.9	172.2	0	0	0	112.3	G27 A28 Y35	G27-L31 VanDerWaalsContact O-CG 3.31Å; G27-L31 WeakPolarHBondContact O-CG 3.43Å; G27-L31 PolarHBondContact O-N 3.04Å; A28-L31 PolarHBondContact O-N 2.82Å; L31-Y35 VanDerWaalsContact O-CB 3.26Å; L31-Y35 WeakPolarHBondContact O-CB 3.46Å; L31-Y35 PolarHBondContact O-N 2.88Å
32	V	90.8	Very high	85.4	Confident	76 Å²	76	94.5 Å²	94.5	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-67	-44.1	175.2	170.6	0	0	0	0	111.1	A28 L29 V30 Y35 L36	A28-V32 VanDerWaalsContact O-CG2 3.28Å; A28-V32 WeakPolarHBondContact O-CG2 3.42Å; A28-V32 PolarHBondContact O-N 2.88Å; L29-V32 PolarHBondContact O-N 3.27Å; V30-V32 VanDerWaalsContact C-N 3.35Å; V30-V32 PolarHBondContact O-N 3.08Å; V32-Y35 PolarHBondContact O-N 3.17Å; V32-L36 HydrophobicContact CG1-CD1 3.94Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.2Å; V32-L36 VanDerWaalsContact O-CG 3.27Å; V32-L36 WeakPolarHBondContact O-CG 3.47Å; V32-L36 PolarHBondContact O-N 3.04Å
33	I	91.2	Very high	85.3	Confident	88 Å²	88	94.5 Å²	94.5	45%	0.451	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-46.3	175.8	-69.6	166.4	0	0	0	109.9	L29 V30 Y35 L36 C37	L29-I33 HydrophobicContact CD2-CD1 4.41Å; L29-I33 HydrophobicContact CG-CD1 3.98Å; L29-I33 WeakPolarHBondContact O-CB 3Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.3Å; L29-I33 PolarHBondContact O-N 3.42Å; V30-I33 PolarHBondContact O-N 2.99Å; I33-Y35 VanDerWaalsContact C-N 3.33Å; I33-Y35 PolarHBondContact O-N 3.11Å; I33-L36 PolarHBondContact O-N 2.94Å; I33-C37 VanDerWaalsContact O-CB 3.29Å; I33-C37 WeakPolarHBondContact O-CB 3.45Å; I33-C37 PolarHBondContact O-N 3.48Å; I33-C37 PolarHBondContact O-SG 3.44Å
34	L	89.5	Confident	85.2	Confident	103 Å²	103	94.9 Å²	94.9	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-60	-43.2	176.2	-71.6	172.9	0	0	0	111.4	V30 C37 E38	V30-L34 HydrophobicContact CG1-CD1 3.85Å; V30-L34 HydrophobicContact CG1-CG 4.26Å; V30-L34 WeakPolarHBondContact O-CB 3.3Å; V30-L34 WeakPolarHBondContact O-CG 3.45Å; V30-L34 PolarHBondContact O-N 3.43Å; L34-C37 PolarHBondContact O-N 3.09Å; L34-E38 VanDerWaalsContact O-CB 3.23Å; L34-E38 WeakPolarHBondContact O-CB 3.32Å; L34-E38 PolarHBondContact O-N 3.06Å
35	Y	86.3	Confident	84.9	Confident	131 Å²	131	93.5 Å²	93.5	51%	0.514	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-42.8	175.6	173.6	-99.1	0	0	0	112.6	L31 V32 I33 E38 R39	L31-Y35 VanDerWaalsContact O-CB 3.26Å; L31-Y35 WeakPolarHBondContact O-CB 3.46Å; L31-Y35 PolarHBondContact O-N 2.88Å; V32-Y35 PolarHBondContact O-N 3.17Å; I33-Y35 VanDerWaalsContact C-N 3.33Å; I33-Y35 PolarHBondContact O-N 3.11Å; Y35-E38 PolarHBondContact O-N 3.2Å; Y35-R39 VanDerWaalsContact O-CB 3.26Å; Y35-R39 WeakPolarHBondContact O-CB 3.45Å; Y35-R39 PolarHBondContact O-N 3.35Å
36	L	87.7	Confident	84.6	Confident	92 Å²	92	89 Å²	89	48%	0.482	48%	0.48	S	S	.	.	H	α-helix	trans	-68.3	-40.7	176.9	-70.3	176	0	0	0	111.5	V32 I33 R39 Q40	V32-L36 HydrophobicContact CG1-CD1 3.94Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.2Å; V32-L36 VanDerWaalsContact O-CG 3.27Å; V32-L36 WeakPolarHBondContact O-CG 3.47Å; V32-L36 PolarHBondContact O-N 3.04Å; I33-L36 PolarHBondContact O-N 2.94Å; L36-R39 PolarHBondContact O-N 2.75Å; L36-Q40 WeakPolarHBondContact O-CB 3.45Å; L36-Q40 PolarHBondContact O-N 2.88Å
37	C	85.2	Confident	84.6	Confident	71 Å²	71	87.5 Å²	87.5	48%	0.48	47%	0.474	S	S	.	.	H	α-helix	trans	-64.5	-42.1	174.1	-72.3	0	0	0	0	111.5	I33 L34 C41	I33-C37 VanDerWaalsContact O-CB 3.29Å; I33-C37 WeakPolarHBondContact O-CB 3.45Å; I33-C37 PolarHBondContact O-N 3.48Å; I33-C37 PolarHBondContact O-SG 3.44Å; L34-C37 PolarHBondContact O-N 3.09Å; C37-C41 WeakPolarHBondContact O-CB 3.38Å; C37-C41 PolarHBondContact O-N 3.3Å
38	E	80.8	Confident	84.6	Confident	112 Å²	112	88.8 Å²	88.8	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-63.6	-47.7	175.1	-178.1	177	-168.6	0	0	110.7	L34 Y35 Q40 C41 N42	L34-E38 VanDerWaalsContact O-CB 3.23Å; L34-E38 WeakPolarHBondContact O-CB 3.32Å; L34-E38 PolarHBondContact O-N 3.06Å; Y35-E38 PolarHBondContact O-N 3.2Å; E38-Q40 PolarHBondContact O-N 3.11Å; E38-C41 PolarHBondContact O-N 2.83Å; E38-N42 WeakPolarHBondContact O-CB 3.19Å; E38-N42 PolarHBondContact O-N 3.03Å; E38-N42 PolarHBondContact O-ND2 2.97Å; E38-N42 PolarHBondContact O-OD1 3.45Å
39	R	80.2	Confident	84.8	Confident	137 Å²	137	86.7 Å²	86.7	52%	0.517	46%	0.459	S	S	.	.	H	α-helix	trans	-60.3	-46.8	176.6	-175.3	175.8	177.1	172	-0.2	111.8	Y35 L36 C41 N42 D43	Y35-R39 VanDerWaalsContact O-CB 3.26Å; Y35-R39 WeakPolarHBondContact O-CB 3.45Å; Y35-R39 PolarHBondContact O-N 3.35Å; L36-R39 PolarHBondContact O-N 2.75Å; R39-C41 VanDerWaalsContact C-N 3.33Å; R39-C41 PolarHBondContact O-N 2.78Å; R39-N42 PolarHBondContact O-N 2.83Å; R39-D43 WeakPolarHBondContact O-CB 3.32Å; R39-D43 PolarHBondContact O-N 3.48Å
40	Q	80	Confident	84.9	Confident	121 Å²	121	83.8 Å²	83.8	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-65.6	-37	178.3	-170.7	173.8	13.1	0	0	111.8	L36 E38 D43 L44	L36-Q40 WeakPolarHBondContact O-CB 3.45Å; L36-Q40 PolarHBondContact O-N 2.88Å; E38-Q40 PolarHBondContact O-N 3.11Å; Q40-D43 PolarHBondContact O-N 3.26Å; Q40-L44 HydrophobicContact CG-CD1 4.07Å; Q40-L44 WeakPolarHBondContact O-CB 3.31Å; Q40-L44 WeakPolarHBondContact O-CD1 3.36Å; Q40-L44 VanDerWaalsContact O-CG 3.26Å; Q40-L44 WeakPolarHBondContact O-CG 3.39Å; Q40-L44 PolarHBondContact O-N 3.37Å
41	C	77.6	Confident	85.1	Confident	67 Å²	67	81.6 Å²	81.6	45%	0.453	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-43.4	173.4	-168.4	0	0	0	0	111.3	C37 E38 R39 L44 M45	C37-C41 WeakPolarHBondContact O-CB 3.38Å; C37-C41 PolarHBondContact O-N 3.3Å; E38-C41 PolarHBondContact O-N 2.83Å; R39-C41 VanDerWaalsContact C-N 3.33Å; R39-C41 PolarHBondContact O-N 2.78Å; C41-L44 PolarHBondContact O-N 2.82Å; C41-M45 WeakPolarHBondContact O-CB 3.18Å; C41-M45 PolarHBondContact O-N 2.87Å
42	N	79.3	Confident	85.3	Confident	44 Å²	44	76.6 Å²	76.6	24%	0.235	41%	0.414	C	S	.	.	H	α-helix	trans	-64.4	-39.3	176.4	-68.1	-15.5	0	0	0	111.7	E38 R39 L44 G46 A47 P48	E38-N42 WeakPolarHBondContact O-CB 3.19Å; E38-N42 PolarHBondContact O-N 3.03Å; E38-N42 PolarHBondContact O-ND2 2.97Å; E38-N42 PolarHBondContact O-OD1 3.45Å; R39-N42 PolarHBondContact O-N 2.83Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 2.89Å; N42-G46 CarbonylContact O-C 3.6Å; N42-G46 WeakPolarHBondContact O-CA 3.33Å; N42-G46 PolarHBondContact O-N 3.26Å; N42-A47 HydrophobicContact CB-CB 4.3Å; N42-P48 WeakPolarHBondContact OD1-CD 3.4Å
43	D	75.3	Confident	85.5	Confident	126 Å²	126	81.8 Å²	81.8	67%	0.674	43%	0.426	S	S	*	.	H	α-helix	trans	-66.5	-31.1	175.7	-68.6	-19.4	0	0	0	111.7	R39 Q40	R39-D43 WeakPolarHBondContact O-CB 3.32Å; R39-D43 PolarHBondContact O-N 3.48Å; Q40-D43 PolarHBondContact O-N 3.26Å
44	L	75.9	Confident	85.5	Confident	135 Å²	135	78.6 Å²	78.6	71%	0.707	42%	0.415	S	S	*	.	H	α-helix	trans	-86.2	-41.2	-179.6	-77	164.7	0	0	0	113.9	Q40 C41 N42	Q40-L44 HydrophobicContact CG-CD1 4.07Å; Q40-L44 WeakPolarHBondContact O-CB 3.31Å; Q40-L44 WeakPolarHBondContact O-CD1 3.36Å; Q40-L44 VanDerWaalsContact O-CG 3.26Å; Q40-L44 WeakPolarHBondContact O-CG 3.39Å; Q40-L44 PolarHBondContact O-N 3.37Å; C41-L44 PolarHBondContact O-N 2.82Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 2.89Å
45	M	76.6	Confident	85.7	Confident	89 Å²	89	76.5 Å²	76.5	44%	0.438	40%	0.404	S	S	.	.	H	α-helix	trans	-107.3	-14.9	-169.9	-63	-66.7	-59.1	0	0	113.3	C41 V445 F450	C41-M45 WeakPolarHBondContact O-CB 3.18Å; C41-M45 PolarHBondContact O-N 2.87Å; M45-V445 WeakPolarHBondContact O-CG2 3.05Å; M45-F450 HydrophobicContact CB-CD2 3.98Å; M45-F450 HydrophobicContact CB-CE2 4.37Å; M45-F450 HydrophobicContact CB-CG 4.34Å; M45-F450 HydrophobicContact CE-CD2 3.94Å; M45-F450 HydrophobicContact CE-CE2 3.32Å; M45-F450 HydrophobicContact CE-CZ 4.03Å; M45-F450 WeakPolarHBondContact O-CB 3.12Å; M45-F450 WeakPolarHBondContact O-CD2 3.42Å
46	G	79.8	Confident	85.9	Confident	16 Å²	16	74.6 Å²	74.6	17%	0.165	41%	0.407	C	S	.	.			trans	97.5	149.1	-164.5	0	0	0	0	0	111.6	N42 F450	N42-G46 CarbonylContact O-C 3.6Å; N42-G46 WeakPolarHBondContact O-CA 3.33Å; N42-G46 PolarHBondContact O-N 3.26Å; G46-F450 WeakPolarHBondContact O-CB 3.48Å
47	A	86.5	Confident	85.9	Confident	38 Å²	38	76.4 Å²	76.4	31%	0.314	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-73.7	147.5	176.3	0	0	0	0	0	110.6	N42 D448 Y449 F450	N42-A47 HydrophobicContact CB-CB 4.3Å; A47-D448 PolarHBondContact N-O 3.48Å; A47-Y449 CarbonylContact O-C 3.34Å; A47-Y449 WeakPolarHBondContact O-CA 3.34Å; A47-Y449 WeakPolarHBondContact O-CD1 3.46Å; A47-F450 PolarHBondContact O-N 3.25Å
48	P	88.9	Confident	86.2	Confident	59 Å²	59	75.8 Å²	75.8	38%	0.383	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-63.5	149.5	168.4	28.3	-34.3	0	0	0	110.2	N42	N42-P48 WeakPolarHBondContact OD1-CD 3.4Å
49	P	93.5	Very high	86.8	Confident	9 Å²	9	70.5 Å²	70.5	6%	0.058	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-55.3	145.9	174.2	-24.1	32.5	0	0	0	112.2	I83 E85 V94 Y449 F450	P49-I83 HydrophobicContact CB-CG1 4.13Å; P49-I83 HydrophobicContact CG-CD1 4.2Å; P49-I83 HydrophobicContact CG-CG1 4.19Å; P49-E85 HydrophobicContact CB-CB 3.97Å; P49-E85 HydrophobicContact CG-CB 4.35Å; P49-V94 HydrophobicContact CG-CG1 4.29Å; P49-V94 HydrophobicContact CG-CG2 4.34Å; P49-Y449 HydrophobicContact CB-CD1 4.36Å; P49-Y449 HydrophobicContact CG-CD1 4.44Å; P49-Y449 HydrophobicContact CG-CG 4.38Å; P49-F450 WeakPolarHBondContact CD-O 3.41Å
50	P	95.3	Very high	87.6	Confident	45 Å²	45	65.9 Å²	65.9	29%	0.292	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.7	159.7	172.6	32.2	-37.2	0	0	0	109.8	Y80 F84 E85	P50-Y80 HydrophobicContact CB-CD1 4.06Å; P50-F84 CarbonylContact O-C 3.48Å; P50-F84 WeakPolarHBondContact O-CA 3.36Å; P50-F84 WeakPolarHBondContact O-CB 3.44Å; P50-E85 PolarHBondContact O-N 3.49Å
51	G	95.7	Very high	88.2	Confident	33 Å²	33	61.4 Å²	61.4	34%	0.34	34%	0.341	S	S	.	.			trans	-170.3	158	-174.7	0	0	0	0	0	114.6	Y80 E85	G51-Y80 VanDerWaalsContact C-CZ 3.5Å; G51-E85 WeakPolarHBondContact CA-O 3.49Å
52	P	96.1	Very high	88.9	Confident	16 Å²	16	61.7 Å²	61.7	10%	0.104	34%	0.343	C	S	.	.			trans	-71.9	149.1	170.4	32.4	-35.4	0	0	0	111.5	Y60 L76 Y80 E85 L86	P52-Y60 HydrophobicContact CB-CD2 3.8Å; P52-Y60 HydrophobicContact CB-CE2 3.44Å; P52-Y60 VanDerWaalsContact CB-CE2 3.44Å; P52-Y60 HydrophobicContact CG-CD1 4.47Å; P52-Y60 HydrophobicContact CG-CD2 3.73Å; P52-Y60 HydrophobicContact CG-CE1 4.45Å; P52-Y60 HydrophobicContact CG-CE2 3.73Å; P52-Y60 HydrophobicContact CG-CG 4.14Å; P52-L76 HydrophobicContact CB-CD2 4.3Å; P52-L76 HydrophobicContact CG-CD1 4.16Å; P52-L76 HydrophobicContact CG-CD2 4.01Å; P52-Y80 WeakPolarHBondContact CA-OH 3.17Å; P52-Y80 HydrophobicContact CB-CE2 3.94Å; P52-Y80 HydrophobicContact CG-CE2 4.2Å; P52-E85 WeakPolarHBondContact CD-O 3.41Å; P52-L86 HydrophobicContact CG-CB 4.18Å
53	W	93.5	Very high	89.7	Confident	185 Å²	185	64.3 Å²	64.3	70%	0.701	35%	0.352	S	S	*	.			trans	-66	137.2	168.8	-175.9	86.7	0	0	0	110.6	L55 Y60	W53-L55 HydrophobicContact CH2-CD2 3.74Å; W53-L55 HydrophobicContact CZ3-CD2 3.63Å; W53-L55 HydrophobicContact CZ3-CG 4.21Å; W53-Y60 WeakPolarHBondContact O-CD2 3.46Å
54	G	92.4	Very high	90.5	Very high	22 Å²	22	59.6 Å²	59.6	23%	0.227	33%	0.327	C	S	.	.			trans	-117	152.8	176.5	0	0	0	0	0	111.7
55	L	93.9	Very high	91.2	Very high	59 Å²	59	57 Å²	57	31%	0.309	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-65	151.9	176.5	-67.1	168.4	0	0	0	111.3	W53 F57 L58 G59 P62 F63	W53-L55 HydrophobicContact CH2-CD2 3.74Å; W53-L55 HydrophobicContact CZ3-CD2 3.63Å; W53-L55 HydrophobicContact CZ3-CG 4.21Å; L55-F57 PolarHBondContact O-N 3.32Å; L55-L58 HydrophobicContact CB-CB 4.25Å; L55-L58 HydrophobicContact CD1-CD1 4.28Å; L55-G59 PolarHBondContact N-O 2.99Å; L55-G59 VanDerWaalsContact O-CA 3.31Å; L55-G59 WeakPolarHBondContact O-CA 3.19Å; L55-G59 PolarHBondContact O-N 3.28Å; L55-P62 HydrophobicContact CD1-CG 4.02Å; L55-F63 HydrophobicContact CD1-CE2 4.22Å; L55-F63 HydrophobicContact CD1-CZ 4.01Å; L55-F63 HydrophobicContact CD2-CZ 4.49Å; L55-F63 HydrophobicContact CG-CE2 4.01Å; L55-F63 HydrophobicContact CG-CZ 3.99Å
56	P	89.4	Confident	91.6	Very high	90 Å²	90	56.7 Å²	56.7	58%	0.584	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	135	168.4	-24.2	34.1	0	0	0	111.5	L58	P56-L58 PolarHBondContact O-N 2.88Å
57	F	87.4	Confident	91.9	Very high	131 Å²	131	66.2 Å²	66.2	58%	0.575	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	-33.2	179.1	-47.5	-72.1	0	0	0	117.8	L55 G89 W246	L55-F57 PolarHBondContact O-N 3.32Å; F57-G89 CarbonylContact O-C 3.19Å; F57-G89 WeakPolarHBondContact O-CA 3.44Å; F57-W246 HydrophobicContact CB-CH2 4.41Å
58	L	92.4	Very high	92.1	Very high	58 Å²	58	65 Å²	65	30%	0.304	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-24.8	177.5	-63	175.4	0	0	0	112.2	L55 P56 L61 P62 G89 L244 W246	L55-L58 HydrophobicContact CB-CB 4.25Å; L55-L58 HydrophobicContact CD1-CD1 4.28Å; P56-L58 PolarHBondContact O-N 2.88Å; L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 WeakPolarHBondContact O-CD1 3.46Å; L58-L61 WeakPolarHBondContact O-CG 3.38Å; L58-L61 PolarHBondContact O-N 2.87Å; L58-P62 HydrophobicContact CB-CG 4.1Å; L58-P62 HydrophobicContact CD1-CG 4Å; L58-G89 WeakPolarHBondContact O-CA 3.24Å; L58-G89 PolarHBondContact O-N 3.33Å; L58-L244 HydrophobicContact CD2-CD1 3.96Å; L58-L244 HydrophobicContact CD2-CD2 4.04Å; L58-W246 HydrophobicContact CD2-CZ2 3.94Å
59	G	94.2	Very high	92.3	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.01	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	62.2	-138.2	-172.5	0	0	0	0	0	111.1	L55 K87	L55-G59 PolarHBondContact N-O 2.99Å; L55-G59 VanDerWaalsContact O-CA 3.31Å; L55-G59 WeakPolarHBondContact O-CA 3.19Å; L55-G59 PolarHBondContact O-N 3.28Å; G59-K87 CarbonylContact C-O 3.37Å; G59-K87 VanDerWaalsContact CA-O 3.28Å; G59-K87 WeakPolarHBondContact CA-O 3.28Å
60	Y	95.2	Very high	92.4	Very high	40 Å²	40	63.6 Å²	63.6	16%	0.157	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.7	-179	-156.3	-103.5	0	0	0	113.5	P52 W53 P62 F63 L64 L76 L86 K87	P52-Y60 HydrophobicContact CB-CD2 3.8Å; P52-Y60 HydrophobicContact CB-CE2 3.44Å; P52-Y60 VanDerWaalsContact CB-CE2 3.44Å; P52-Y60 HydrophobicContact CG-CD1 4.47Å; P52-Y60 HydrophobicContact CG-CD2 3.73Å; P52-Y60 HydrophobicContact CG-CE1 4.45Å; P52-Y60 HydrophobicContact CG-CE2 3.73Å; P52-Y60 HydrophobicContact CG-CG 4.14Å; W53-Y60 WeakPolarHBondContact O-CD2 3.46Å; Y60-P62 VanDerWaalsContact C-CD 3.49Å; Y60-F63 HydrophobicContact CD1-CB 4.03Å; Y60-F63 HydrophobicContact CD2-CB 4.23Å; Y60-F63 AromaticContact CD2-CD2 3.5Å; Y60-F63 HydrophobicContact CD2-CD2 3.5Å; Y60-F63 HydrophobicContact CD2-CE2 4.3Å; Y60-F63 HydrophobicContact CD2-CG 4.27Å; Y60-F63 HydrophobicContact CE1-CB 3.65Å; Y60-F63 HydrophobicContact CE2-CB 3.85Å; Y60-F63 AromaticContact CE2-CD2 3.59Å; Y60-F63 HydrophobicContact CE2-CD2 3.59Å; Y60-F63 HydrophobicContact CE2-CE2 4.47Å; Y60-F63 AromaticContact CE2-CG 4Å; Y60-F63 HydrophobicContact CE2-CG 4Å; Y60-F63 HydrophobicContact CG-CB 4.3Å; Y60-F63 HydrophobicContact CG-CD2 4.02Å; Y60-F63 PolarHBondContact O-N 3.48Å; Y60-L64 HydrophobicContact CD1-CD2 3.76Å; Y60-L64 HydrophobicContact CD1-CG 3.92Å; Y60-L64 HydrophobicContact CE1-CD2 4Å; Y60-L64 HydrophobicContact CE1-CG 4.47Å; Y60-L64 PolarHBondContact O-N 3.45Å; Y60-L76 HydrophobicContact CD1-CD1 4.12Å; Y60-L76 HydrophobicContact CE1-CD1 3.73Å; Y60-L76 HydrophobicContact CE1-CD2 4.17Å; Y60-L76 HydrophobicContact CE1-CG 4.38Å; Y60-L86 HydrophobicContact CD1-CD1 4.08Å; Y60-L86 HydrophobicContact CG-CD1 4.28Å; Y60-K87 PolarHBondContact N-O 2.8Å
61	L	93.3	Very high	92.4	Very high	26 Å²	26	65 Å²	65	14%	0.136	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-51.9	-43.8	-175	-70.5	169.2	0	0	0	114.2	L58 F63 L64 M88 F243 L244	L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 WeakPolarHBondContact O-CD1 3.46Å; L58-L61 WeakPolarHBondContact O-CG 3.38Å; L58-L61 PolarHBondContact O-N 2.87Å; L61-F63 PolarHBondContact O-N 3.23Å; L61-F63 VanDerWaalsContact O-N 3.17Å; L61-L64 HydrophobicContact CD2-CD1 4.46Å; L61-L64 PolarHBondContact O-N 3.11Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L61-M88 HydrophobicContact CD2-CB 4.07Å; L61-M88 HydrophobicContact CD2-CG 4.2Å; L61-M88 HydrophobicContact CG-CB 4.32Å; L61-F243 HydrophobicContact CD1-CB 3.74Å; L61-F243 HydrophobicContact CD1-CD2 4.48Å; L61-F243 HydrophobicContact CD1-CG 4.41Å; L61-F243 HydrophobicContact CD2-CD2 3.94Å; L61-F243 HydrophobicContact CD2-CG 4.46Å; L61-L244 HydrophobicContact CD1-CD1 3.82Å; L61-L244 HydrophobicContact CD1-CD2 3.95Å; L61-L244 HydrophobicContact CD1-CG 3.74Å
62	P	93.2	Very high	92.4	Very high	74 Å²	74	64.1 Å²	64.1	48%	0.481	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-67.2	-15.7	-178.8	-24.2	38.9	0	0	0	114.4	L55 L58 Y60	L55-P62 HydrophobicContact CD1-CG 4.02Å; L58-P62 HydrophobicContact CB-CG 4.1Å; L58-P62 HydrophobicContact CD1-CG 4Å; Y60-P62 VanDerWaalsContact C-CD 3.49Å
63	F	94.4	Very high	92.5	Very high	99 Å²	99	63.4 Å²	63.4	43%	0.434	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-97.5	-4.4	179.2	-49	-63.7	0	0	0	112.5	L55 Y60 L61	L55-F63 HydrophobicContact CD1-CE2 4.22Å; L55-F63 HydrophobicContact CD1-CZ 4.01Å; L55-F63 HydrophobicContact CD2-CZ 4.49Å; L55-F63 HydrophobicContact CG-CE2 4.01Å; L55-F63 HydrophobicContact CG-CZ 3.99Å; Y60-F63 HydrophobicContact CD1-CB 4.03Å; Y60-F63 HydrophobicContact CD2-CB 4.23Å; Y60-F63 AromaticContact CD2-CD2 3.5Å; Y60-F63 HydrophobicContact CD2-CD2 3.5Å; Y60-F63 HydrophobicContact CD2-CE2 4.3Å; Y60-F63 HydrophobicContact CD2-CG 4.27Å; Y60-F63 HydrophobicContact CE1-CB 3.65Å; Y60-F63 HydrophobicContact CE2-CB 3.85Å; Y60-F63 AromaticContact CE2-CD2 3.59Å; Y60-F63 HydrophobicContact CE2-CD2 3.59Å; Y60-F63 HydrophobicContact CE2-CE2 4.47Å; Y60-F63 AromaticContact CE2-CG 4Å; Y60-F63 HydrophobicContact CE2-CG 4Å; Y60-F63 HydrophobicContact CG-CB 4.3Å; Y60-F63 HydrophobicContact CG-CD2 4.02Å; Y60-F63 PolarHBondContact O-N 3.48Å; L61-F63 PolarHBondContact O-N 3.23Å; L61-F63 VanDerWaalsContact O-N 3.17Å
64	L	92.5	Very high	92.7	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.141	29%	0.294	C	S	.	.	S	Bend	trans	-90.1	134.9	173.3	-63.4	175.8	0	0	0	109.9	Y60 L61 A66 L73 L86 M88	Y60-L64 HydrophobicContact CD1-CD2 3.76Å; Y60-L64 HydrophobicContact CD1-CG 3.92Å; Y60-L64 HydrophobicContact CE1-CD2 4Å; Y60-L64 HydrophobicContact CE1-CG 4.47Å; Y60-L64 PolarHBondContact O-N 3.45Å; L61-L64 HydrophobicContact CD2-CD1 4.46Å; L61-L64 PolarHBondContact O-N 3.11Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L64-A66 PolarHBondContact O-N 2.86Å; L64-L73 HydrophobicContact CD2-CD2 3.96Å; L64-L86 HydrophobicContact CD1-CD1 4.42Å; L64-M88 HydrophobicContact CD1-CE 4.01Å
65	D	91.2	Very high	92.9	Very high	81 Å²	81	62 Å²	62	43%	0.433	32%	0.315	S	S	.	.			trans	-69.3	109.9	166.2	-176	-9.2	0	0	0	109.3	R67 A68 P69 S72	D65-R67 PolarHBondContact O-N 3Å; D65-R67 WeakPolarHBondContact OD1-CB 3.31Å; D65-R67 PolarHBondContact OD1-N 3.18Å; D65-A68 CarbonylContact O-C 3.57Å; D65-A68 PolarHBondContact O-N 3.27Å; D65-A68 VanDerWaalsContact O-N 3.14Å; D65-A68 PolarHBondContact OD1-N 3.08Å; D65-P69 WeakPolarHBondContact O-CA 3.27Å; D65-P69 WeakPolarHBondContact O-CD 3.27Å; D65-S72 WeakPolarHBondContact CB-OG 3.11Å; D65-S72 PolarHBondContact N-OG 3.11Å
66	A	84.6	Confident	93.1	Very high	82 Å²	82	59.5 Å²	59.5	68%	0.678	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.2	179.2	0	0	0	0	0	113.5	L64	L64-A66 PolarHBondContact O-N 2.86Å
67	R	86.4	Confident	93.5	Very high	216 Å²	216	55.9 Å²	55.9	82%	0.815	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-21.4	176.8	-63	-178.5	178.4	179.4	-0.7	112.8	D65 S542	D65-R67 PolarHBondContact O-N 3Å; D65-R67 WeakPolarHBondContact OD1-CB 3.31Å; D65-R67 PolarHBondContact OD1-N 3.18Å; R67-S542 WeakPolarHBondContact O-CB 3.19Å
68	A	91.6	Very high	93.9	Very high	13 Å²	13	56.8 Å²	56.8	11%	0.107	28%	0.283	C	S	.	.			trans	-140.9	62.8	179.2	0	0	0	0	0	111.9	D65 H70 K71 S72	D65-A68 CarbonylContact O-C 3.57Å; D65-A68 PolarHBondContact O-N 3.27Å; D65-A68 VanDerWaalsContact O-N 3.14Å; D65-A68 PolarHBondContact OD1-N 3.08Å; A68-H70 PolarHBondContact O-N 3.1Å; A68-K71 HydrophobicContact CB-CB 4.15Å; A68-K71 HydrophobicContact CB-CD 4.12Å; A68-K71 HydrophobicContact CB-CG 4.19Å; A68-K71 PolarHBondContact O-N 3.04Å; A68-K71 VanDerWaalsContact O-N 3.1Å; A68-S72 PolarHBondContact O-N 2.79Å; A68-S72 PolarHBondContact O-OG 2.94Å
69	P	92.6	Very high	94.1	Very high	34 Å²	34	62.8 Å²	62.8	22%	0.221	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-34.2	-177.2	24.8	-34.6	0	0	0	111.7	D65 K71 S72 L73 L434	D65-P69 WeakPolarHBondContact O-CA 3.27Å; D65-P69 WeakPolarHBondContact O-CD 3.27Å; P69-K71 PolarHBondContact O-N 3.37Å; P69-S72 WeakPolarHBondContact O-CB 3.48Å; P69-S72 PolarHBondContact O-N 2.86Å; P69-L73 WeakPolarHBondContact O-CG 3.41Å; P69-L73 PolarHBondContact O-N 3.19Å; P69-L434 HydrophobicContact CB-CD1 4.1Å; P69-L434 HydrophobicContact CG-CD1 4.09Å
70	H	94.7	Very high	94.2	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-37.9	175.4	58.7	-86.1	0	0	0	113.5	A68 Q74 P433 L434 W462 S542	A68-H70 PolarHBondContact O-N 3.1Å; H70-Q74 WeakPolarHBondContact O-CB 3.23Å; H70-Q74 PolarHBondContact O-N 2.86Å; H70-P433 HydrophobicContact CB-CB 3.74Å; H70-P433 HydrophobicContact CB-CG 4.11Å; H70-L434 HydrophobicContact CB-CD2 3.89Å; H70-L434 HydrophobicContact CB-CG 4.17Å; H70-W462 HydrophobicContact CB-CB 4.1Å; H70-W462 HydrophobicContact CB-CG 4.08Å; H70-W462 AromaticContact CD2-CD2 3.58Å; H70-W462 AromaticContact CD2-CE2 3.69Å; H70-W462 AromaticContact CD2-CE3 3.99Å; H70-W462 AromaticContact CD2-CG 3.84Å; H70-W462 AromaticContact CD2-NE1 3.95Å; H70-S542 PolarHBondContact ND1-OG 3.49Å
71	K	95.9	Very high	94.2	Very high	73 Å²	73	65 Å²	65	32%	0.317	32%	0.321	S	S	.	.	H	α-helix	trans	-71.7	-36.2	174.2	-65.4	-174.1	-178.3	178.2	0	112	A68 P69 Q74 K75	A68-K71 HydrophobicContact CB-CB 4.15Å; A68-K71 HydrophobicContact CB-CD 4.12Å; A68-K71 HydrophobicContact CB-CG 4.19Å; A68-K71 PolarHBondContact O-N 3.04Å; A68-K71 VanDerWaalsContact O-N 3.1Å; P69-K71 PolarHBondContact O-N 3.37Å; K71-Q74 PolarHBondContact O-N 3.11Å; K71-K75 WeakPolarHBondContact O-CG 3.42Å; K71-K75 PolarHBondContact O-N 3.03Å; K71-K75 VanDerWaalsContact O-N 3.09Å
72	S	96.2	Very high	94.2	Very high	15 Å²	15	65 Å²	65	11%	0.105	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-45.9	175.7	-60.1	0	0	0	0	111.2	D65 A68 P69 K75 L76	D65-S72 WeakPolarHBondContact CB-OG 3.11Å; D65-S72 PolarHBondContact N-OG 3.11Å; A68-S72 PolarHBondContact O-N 2.79Å; A68-S72 PolarHBondContact O-OG 2.94Å; P69-S72 WeakPolarHBondContact O-CB 3.48Å; P69-S72 PolarHBondContact O-N 2.86Å; S72-K75 WeakPolarHBondContact O-CB 3.41Å; S72-K75 PolarHBondContact O-N 3.19Å; S72-L76 PolarHBondContact O-N 2.76Å
73	L	96.8	Very high	94.4	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-33.9	175.9	-65.1	-173.4	0	0	0	112.3	L64 P69 K75 L76 A77 F84 L86 V95 L434 V458	L64-L73 HydrophobicContact CD2-CD2 3.96Å; P69-L73 WeakPolarHBondContact O-CG 3.41Å; P69-L73 PolarHBondContact O-N 3.19Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 2.74Å; L73-L76 HydrophobicContact CD2-CD1 4.01Å; L73-L76 PolarHBondContact O-N 2.78Å; L73-A77 PolarHBondContact O-N 3.38Å; L73-F84 HydrophobicContact CD2-CE2 4.33Å; L73-F84 HydrophobicContact CD2-CZ 4.47Å; L73-L86 HydrophobicContact CD2-CD1 4.23Å; L73-L86 HydrophobicContact CD2-CD2 4.32Å; L73-V95 HydrophobicContact CD1-CG2 4.13Å; L73-V95 HydrophobicContact CD2-CG2 4.25Å; L73-L434 HydrophobicContact CD1-CD1 4.37Å; L73-L434 HydrophobicContact CD1-CD2 3.75Å; L73-V458 HydrophobicContact CD1-CG1 4.36Å
74	Q	97.6	Very high	94.5	Very high	22 Å²	22	57 Å²	57	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-40.8	171.5	-173.7	-170.2	16.5	0	0	112.3	H70 K71 L76 A77 K78 A463 M466	H70-Q74 WeakPolarHBondContact O-CB 3.23Å; H70-Q74 PolarHBondContact O-N 2.86Å; K71-Q74 PolarHBondContact O-N 3.11Å; Q74-L76 VanDerWaalsContact C-N 3.28Å; Q74-L76 PolarHBondContact O-N 3.47Å; Q74-A77 WeakPolarHBondContact O-CB 3.46Å; Q74-A77 PolarHBondContact O-N 3.01Å; Q74-K78 WeakPolarHBondContact O-CG 3.38Å; Q74-K78 PolarHBondContact O-N 2.91Å; Q74-A463 HydrophobicContact CB-CB 4.45Å; Q74-A463 HydrophobicContact CG-CB 4.41Å; Q74-M466 VanDerWaalsContact NE2-CB 3.28Å; Q74-M466 PolarHBondContact NE2-O 3.02Å
75	K	97.5	Very high	94.7	Very high	154 Å²	154	58.1 Å²	58.1	67%	0.67	29%	0.289	S	S	*	.	H	α-helix	trans	-62.7	-37.3	175.6	-71	174.4	-177.1	177.1	0	111.7	K71 S72 L73 R79	K71-K75 WeakPolarHBondContact O-CG 3.42Å; K71-K75 PolarHBondContact O-N 3.03Å; K71-K75 VanDerWaalsContact O-N 3.09Å; S72-K75 WeakPolarHBondContact O-CB 3.41Å; S72-K75 PolarHBondContact O-N 3.19Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 2.74Å; K75-R79 PolarHBondContact O-N 3.5Å
76	L	97.9	Very high	94.9	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-69.9	-41.5	174.9	-65	177.5	0	0	0	111.9	P52 Y60 S72 L73 Q74 K78 R79 Y80 F84	P52-L76 HydrophobicContact CB-CD2 4.3Å; P52-L76 HydrophobicContact CG-CD1 4.16Å; P52-L76 HydrophobicContact CG-CD2 4.01Å; Y60-L76 HydrophobicContact CD1-CD1 4.12Å; Y60-L76 HydrophobicContact CE1-CD1 3.73Å; Y60-L76 HydrophobicContact CE1-CD2 4.17Å; Y60-L76 HydrophobicContact CE1-CG 4.38Å; S72-L76 PolarHBondContact O-N 2.76Å; L73-L76 HydrophobicContact CD2-CD1 4.01Å; L73-L76 PolarHBondContact O-N 2.78Å; Q74-L76 VanDerWaalsContact C-N 3.28Å; Q74-L76 PolarHBondContact O-N 3.47Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.48Å; L76-R79 WeakPolarHBondContact O-CA 3.31Å; L76-R79 PolarHBondContact O-N 2.99Å; L76-Y80 HydrophobicContact CB-CD2 4.32Å; L76-Y80 HydrophobicContact CD2-CD2 4.2Å; L76-Y80 HydrophobicContact CD2-CE2 3.88Å; L76-Y80 WeakPolarHBondContact O-CD2 3.24Å; L76-Y80 PolarHBondContact O-N 3.15Å; L76-F84 HydrophobicContact CB-CD2 4.17Å; L76-F84 HydrophobicContact CB-CE1 4.3Å; L76-F84 HydrophobicContact CB-CE2 3.5Å; L76-F84 HydrophobicContact CB-CZ 3.58Å; L76-F84 HydrophobicContact CD1-CE2 3.78Å; L76-F84 HydrophobicContact CD1-CZ 4.47Å; L76-F84 HydrophobicContact CG-CE2 4.31Å
77	A	97.4	Very high	95.4	Very high	13 Å²	13	56.5 Å²	56.5	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-44.6	174.1	0	0	0	0	0	111.5	L73 Q74 R79 G81 F84 S97 A463	L73-A77 PolarHBondContact O-N 3.38Å; Q74-A77 WeakPolarHBondContact O-CB 3.46Å; Q74-A77 PolarHBondContact O-N 3.01Å; A77-R79 PolarHBondContact O-N 3.04Å; A77-G81 CarbonylContact O-C 3.49Å; A77-G81 VanDerWaalsContact O-CA 3.29Å; A77-G81 WeakPolarHBondContact O-CA 3.43Å; A77-G81 PolarHBondContact O-N 2.9Å; A77-F84 HydrophobicContact CB-CE1 3.88Å; A77-S97 VanDerWaalsContact CB-OG 3.32Å; A77-S97 WeakPolarHBondContact CB-OG 3.48Å; A77-A463 HydrophobicContact CB-CB 4.11Å
78	K	96.4	Very high	95.7	Very high	150 Å²	150	47 Å²	47	65%	0.652	23%	0.228	S	C	*	.	H	α-helix	trans	-61.4	-27.9	174.8	-70.9	-179.8	-179.1	-175.8	0	113.7	Q74 L76	Q74-K78 WeakPolarHBondContact O-CG 3.38Å; Q74-K78 PolarHBondContact O-N 2.91Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.48Å
79	R	96.5	Very high	95.6	Very high	184 Å²	184	46.6 Å²	46.6	69%	0.694	22%	0.224	S	C	*	.	H	α-helix	trans	-90.9	-39.6	-176.8	-178.4	174.5	-179.7	175.8	1	113.3	K75 L76 A77	K75-R79 PolarHBondContact O-N 3.5Å; L76-R79 WeakPolarHBondContact O-CA 3.31Å; L76-R79 PolarHBondContact O-N 2.99Å; A77-R79 PolarHBondContact O-N 3.04Å
80	Y	96.3	Very high	95.4	Very high	55 Å²	55	53.7 Å²	53.7	22%	0.216	25%	0.247	C	C	.	.	H	α-helix	trans	-107.7	-12.2	-171.4	-67.5	-73.5	0	0	0	113.5	P50 G51 P52 L76 F84	P50-Y80 HydrophobicContact CB-CD1 4.06Å; G51-Y80 VanDerWaalsContact C-CZ 3.5Å; P52-Y80 WeakPolarHBondContact CA-OH 3.17Å; P52-Y80 HydrophobicContact CB-CE2 3.94Å; P52-Y80 HydrophobicContact CG-CE2 4.2Å; L76-Y80 HydrophobicContact CB-CD2 4.32Å; L76-Y80 HydrophobicContact CD2-CD2 4.2Å; L76-Y80 HydrophobicContact CD2-CE2 3.88Å; L76-Y80 WeakPolarHBondContact O-CD2 3.24Å; L76-Y80 PolarHBondContact O-N 3.15Å; Y80-F84 HydrophobicContact CG-CB 4.28Å
81	G	94.5	Very high	95.2	Very high	34 Å²	34	55.2 Å²	55.2	35%	0.351	26%	0.256	S	S	.	.			trans	95.3	-165.4	179.7	0	0	0	0	0	113.5	A77 I83 S97	A77-G81 CarbonylContact O-C 3.49Å; A77-G81 VanDerWaalsContact O-CA 3.29Å; A77-G81 WeakPolarHBondContact O-CA 3.43Å; A77-G81 PolarHBondContact O-N 2.9Å; G81-I83 PolarHBondContact O-N 2.97Å; G81-I83 VanDerWaalsContact O-N 3.14Å; G81-S97 PolarHBondContact O-OG 3.4Å
82	G	94.7	Very high	95.1	Very high	25 Å²	25	53.4 Å²	53.4	26%	0.258	25%	0.252	S	S	.	.	S	Bend	trans	-65.6	-13.5	-172.1	0	0	0	0	0	115.8	S97 D98	G82-S97 WeakPolarHBondContact CA-OG 3.44Å; G82-S97 PolarHBondContact O-N 2.97Å; G82-S97 PolarHBondContact O-OG 3.23Å; G82-D98 PolarHBondContact O-N 3.25Å
83	I	96.2	Very high	95	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	130.9	177.7	-178.9	169.6	0	0	0	109.9	P49 G81 V94 V95 L96 L101 Y449 I451	P49-I83 HydrophobicContact CB-CG1 4.13Å; P49-I83 HydrophobicContact CG-CD1 4.2Å; P49-I83 HydrophobicContact CG-CG1 4.19Å; G81-I83 PolarHBondContact O-N 2.97Å; G81-I83 VanDerWaalsContact O-N 3.14Å; I83-V94 HydrophobicContact CD1-CG1 4.09Å; I83-V94 HydrophobicContact CG1-CG1 3.85Å; I83-V95 WeakPolarHBondContact CA-O 3.42Å; I83-L96 HydrophobicContact CB-CD2 4.12Å; I83-L96 HydrophobicContact CD1-CD2 3.68Å; I83-L96 HydrophobicContact CG1-CD2 3.75Å; I83-L101 HydrophobicContact CB-CD1 3.9Å; I83-L101 HydrophobicContact CG2-CD1 3.96Å; I83-Y449 HydrophobicContact CD1-CD2 4.02Å; I83-Y449 HydrophobicContact CD1-CG 4.27Å; I83-Y449 HydrophobicContact CG2-CD2 3.37Å; I83-Y449 HydrophobicContact CG2-CE2 3.21Å; I83-Y449 HydrophobicContact CG2-CG 4.26Å; I83-I451 HydrophobicContact CD1-CD1 4.35Å
84	F	97	Very high	95	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.1	176.8	61	-86.2	0	0	0	112.1	P50 L73 L76 A77 Y80 L86 V94 V95	P50-F84 CarbonylContact O-C 3.48Å; P50-F84 WeakPolarHBondContact O-CA 3.36Å; P50-F84 WeakPolarHBondContact O-CB 3.44Å; L73-F84 HydrophobicContact CD2-CE2 4.33Å; L73-F84 HydrophobicContact CD2-CZ 4.47Å; L76-F84 HydrophobicContact CB-CD2 4.17Å; L76-F84 HydrophobicContact CB-CE1 4.3Å; L76-F84 HydrophobicContact CB-CE2 3.5Å; L76-F84 HydrophobicContact CB-CZ 3.58Å; L76-F84 HydrophobicContact CD1-CE2 3.78Å; L76-F84 HydrophobicContact CD1-CZ 4.47Å; L76-F84 HydrophobicContact CG-CE2 4.31Å; A77-F84 HydrophobicContact CB-CE1 3.88Å; Y80-F84 HydrophobicContact CG-CB 4.28Å; F84-L86 HydrophobicContact CD2-CD2 3.86Å; F84-L86 HydrophobicContact CE2-CD2 3.65Å; F84-V94 CarbonylContact O-C 3.57Å; F84-V94 WeakPolarHBondContact O-CA 3.38Å; F84-V95 HydrophobicContact CD1-CB 4.19Å; F84-V95 HydrophobicContact CD2-CB 4.18Å; F84-V95 HydrophobicContact CD2-CG2 4.38Å; F84-V95 HydrophobicContact CE1-CB 3.69Å; F84-V95 HydrophobicContact CE1-CG1 3.68Å; F84-V95 HydrophobicContact CE2-CB 3.7Å; F84-V95 HydrophobicContact CE2-CG1 4.26Å; F84-V95 HydrophobicContact CE2-CG2 3.72Å; F84-V95 HydrophobicContact CG-CB 4.41Å; F84-V95 HydrophobicContact CZ-CB 3.43Å; F84-V95 VanDerWaalsContact CZ-CB 3.43Å; F84-V95 HydrophobicContact CZ-CG1 3.51Å; F84-V95 HydrophobicContact CZ-CG2 3.83Å; F84-V95 PolarHBondContact N-O 3.39Å; F84-V95 VanDerWaalsContact N-O 3.15Å; F84-V95 PolarHBondContact O-N 3.44Å
85	E	96.2	Very high	94.9	Very high	50 Å²	50	51.6 Å²	51.6	23%	0.234	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.1	178.4	-172.9	-179.3	174.9	0	0	111.2	P49 P50 G51 P52 T93 V94	P49-E85 HydrophobicContact CB-CB 3.97Å; P49-E85 HydrophobicContact CG-CB 4.35Å; P50-E85 PolarHBondContact O-N 3.49Å; G51-E85 WeakPolarHBondContact CA-O 3.49Å; P52-E85 WeakPolarHBondContact CD-O 3.41Å; E85-T93 CarbonylContact C-O 3.56Å; E85-T93 WeakPolarHBondContact CA-O 3.05Å; E85-V94 HydrophobicContact CB-CG2 4.35Å; E85-V94 HydrophobicContact CG-CG2 4.23Å
86	L	96.1	Very high	94.9	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.3	166.5	61.7	153	0	0	0	109.9	P52 Y60 L64 L73 F84 M88 T93 V95	P52-L86 HydrophobicContact CG-CB 4.18Å; Y60-L86 HydrophobicContact CD1-CD1 4.08Å; Y60-L86 HydrophobicContact CG-CD1 4.28Å; L64-L86 HydrophobicContact CD1-CD1 4.42Å; L73-L86 HydrophobicContact CD2-CD1 4.23Å; L73-L86 HydrophobicContact CD2-CD2 4.32Å; F84-L86 HydrophobicContact CD2-CD2 3.86Å; F84-L86 HydrophobicContact CE2-CD2 3.65Å; L86-M88 HydrophobicContact CD1-CE 4.03Å; L86-M88 HydrophobicContact CD1-CG 4.33Å; L86-T93 PolarHBondContact N-O 2.93Å; L86-T93 WeakPolarHBondContact O-CA 3.29Å; L86-T93 WeakPolarHBondContact O-CB 3.33Å; L86-T93 PolarHBondContact O-N 3.26Å; L86-T93 VanDerWaalsContact O-O 3.06Å; L86-V95 HydrophobicContact CD2-CG2 3.61Å
87	K	94.6	Very high	94.8	Very high	125 Å²	125	44.6 Å²	44.6	54%	0.543	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.1	171	-67.3	-178.7	-179.5	174.6	0	109.8	G59 Y60	G59-K87 CarbonylContact C-O 3.37Å; G59-K87 VanDerWaalsContact CA-O 3.28Å; G59-K87 WeakPolarHBondContact CA-O 3.28Å; Y60-K87 PolarHBondContact N-O 2.8Å
88	M	92.4	Very high	94.7	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	100.7	166.5	-67.1	-170.4	-175.4	0	0	108.3	L61 L64 L86 R90 V91 T93 F243 M456	L61-M88 HydrophobicContact CD2-CB 4.07Å; L61-M88 HydrophobicContact CD2-CG 4.2Å; L61-M88 HydrophobicContact CG-CB 4.32Å; L64-M88 HydrophobicContact CD1-CE 4.01Å; L86-M88 HydrophobicContact CD1-CE 4.03Å; L86-M88 HydrophobicContact CD1-CG 4.33Å; M88-R90 PolarHBondContact O-N 2.98Å; M88-R90 VanDerWaalsContact O-N 3.14Å; M88-V91 PolarHBondContact N-O 2.94Å; M88-V91 WeakPolarHBondContact O-CB 3.28Å; M88-V91 PolarHBondContact O-N 2.49Å; M88-T93 HydrophobicContact CE-CG2 4.08Å; M88-T93 HydrophobicContact SD-CG2 4.45Å; M88-F243 HydrophobicContact CB-CB 4.41Å; M88-F243 HydrophobicContact CB-CD1 3.54Å; M88-F243 HydrophobicContact CB-CD2 4.21Å; M88-F243 HydrophobicContact CB-CE1 3.78Å; M88-F243 HydrophobicContact CB-CE2 4.42Å; M88-F243 HydrophobicContact CB-CG 3.79Å; M88-F243 HydrophobicContact CB-CZ 4.22Å; M88-F243 HydrophobicContact SD-CE1 3.96Å; M88-F243 HydrophobicContact SD-CE2 3.87Å; M88-F243 HydrophobicContact SD-CZ 3.57Å; M88-F243 VanDerWaalsContact SD-CZ 3.57Å; M88-M456 HydrophobicContact SD-CE 3.77Å
89	G	90.8	Very high	94.6	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-116.2	-166.8	0	0	0	0	0	110.7	F57 L58	F57-G89 CarbonylContact O-C 3.19Å; F57-G89 WeakPolarHBondContact O-CA 3.44Å; L58-G89 WeakPolarHBondContact O-CA 3.24Å; L58-G89 PolarHBondContact O-N 3.33Å
90	R	87.6	Confident	94.5	Very high	183 Å²	183	34.7 Å²	34.7	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.8	173.9	-66.2	-175.3	179.2	166.8	-0.2	114.2	M88 P92	M88-R90 PolarHBondContact O-N 2.98Å; M88-R90 VanDerWaalsContact O-N 3.14Å; R90-P92 WeakPolarHBondContact O-CD 3.01Å
91	V	91.2	Very high	94.3	Very high	36 Å²	36	33.8 Å²	33.8	22%	0.218	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.9	-175.6	-177.4	0	0	0	0	109.6	M88 T93 F243 M456	M88-V91 PolarHBondContact N-O 2.94Å; M88-V91 WeakPolarHBondContact O-CB 3.28Å; M88-V91 PolarHBondContact O-N 2.49Å; V91-T93 PolarHBondContact O-N 3Å; V91-T93 PolarHBondContact O-OG1 3.09Å; V91-F243 HydrophobicContact CB-CD1 4.09Å; V91-F243 HydrophobicContact CB-CE1 4.46Å; V91-F243 HydrophobicContact CG2-CD1 3.96Å; V91-M456 HydrophobicContact CG1-CB 3.86Å
92	P	92.6	Very high	94.3	Very high	35 Å²	35	32.3 Å²	32.3	23%	0.227	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	131	170	24.2	-26.4	0	0	0	109	R90 S455 M456	R90-P92 WeakPolarHBondContact O-CD 3.01Å; P92-S455 WeakPolarHBondContact O-CA 3.43Å; P92-M456 PolarHBondContact O-N 2.74Å
93	T	95.3	Very high	94.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.4	-172.7	-54.3	0	0	0	0	109.7	E85 L86 M88 V91 V95 M456 V458	E85-T93 CarbonylContact C-O 3.56Å; E85-T93 WeakPolarHBondContact CA-O 3.05Å; L86-T93 PolarHBondContact N-O 2.93Å; L86-T93 WeakPolarHBondContact O-CA 3.29Å; L86-T93 WeakPolarHBondContact O-CB 3.33Å; L86-T93 PolarHBondContact O-N 3.26Å; L86-T93 VanDerWaalsContact O-O 3.06Å; M88-T93 HydrophobicContact CE-CG2 4.08Å; M88-T93 HydrophobicContact SD-CG2 4.45Å; V91-T93 PolarHBondContact O-N 3Å; V91-T93 PolarHBondContact O-OG1 3.09Å; T93-V95 HydrophobicContact CG2-CG2 4.44Å; T93-M456 CarbonylContact C-O 3.49Å; T93-M456 VanDerWaalsContact CA-O 3.24Å; T93-M456 WeakPolarHBondContact CA-O 3.37Å; T93-M456 HydrophobicContact CG2-CB 4.49Å; T93-M456 HydrophobicContact CG2-CE 3.46Å; T93-M456 VanDerWaalsContact CG2-CE 3.46Å; T93-M456 WeakPolarHBondContact OG1-CE 3.32Å; T93-V458 HydrophobicContact CG2-CG2 3.88Å
94	V	95.8	Very high	93.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.2	171.9	-179.3	0	0	0	0	108.7	P49 I83 F84 E85 L96 I451 M456 I457 V458	P49-V94 HydrophobicContact CG-CG1 4.29Å; P49-V94 HydrophobicContact CG-CG2 4.34Å; I83-V94 HydrophobicContact CD1-CG1 4.09Å; I83-V94 HydrophobicContact CG1-CG1 3.85Å; F84-V94 CarbonylContact O-C 3.57Å; F84-V94 WeakPolarHBondContact O-CA 3.38Å; E85-V94 HydrophobicContact CB-CG2 4.35Å; E85-V94 HydrophobicContact CG-CG2 4.23Å; V94-L96 HydrophobicContact CG1-CD2 4.32Å; V94-I451 HydrophobicContact CG1-CD1 4.11Å; V94-I451 HydrophobicContact CG2-CG1 4.39Å; V94-I451 HydrophobicContact CG2-CG2 4Å; V94-M456 PolarHBondContact N-O 2.86Å; V94-I457 HydrophobicContact CB-CD1 3.8Å; V94-I457 HydrophobicContact CG2-CD1 4.21Å; V94-I457 CarbonylContact O-C 3.48Å; V94-I457 WeakPolarHBondContact O-CA 3.36Å; V94-V458 PolarHBondContact O-N 3.3Å
95	V	97	Very high	93.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125	176.5	-178	0	0	0	0	108.8	L73 I83 F84 L86 T93 V458	L73-V95 HydrophobicContact CD1-CG2 4.13Å; L73-V95 HydrophobicContact CD2-CG2 4.25Å; I83-V95 WeakPolarHBondContact CA-O 3.42Å; F84-V95 HydrophobicContact CD1-CB 4.19Å; F84-V95 HydrophobicContact CD2-CB 4.18Å; F84-V95 HydrophobicContact CD2-CG2 4.38Å; F84-V95 HydrophobicContact CE1-CB 3.69Å; F84-V95 HydrophobicContact CE1-CG1 3.68Å; F84-V95 HydrophobicContact CE2-CB 3.7Å; F84-V95 HydrophobicContact CE2-CG1 4.26Å; F84-V95 HydrophobicContact CE2-CG2 3.72Å; F84-V95 HydrophobicContact CG-CB 4.41Å; F84-V95 HydrophobicContact CZ-CB 3.43Å; F84-V95 VanDerWaalsContact CZ-CB 3.43Å; F84-V95 HydrophobicContact CZ-CG1 3.51Å; F84-V95 HydrophobicContact CZ-CG2 3.83Å; F84-V95 PolarHBondContact N-O 3.39Å; F84-V95 VanDerWaalsContact N-O 3.15Å; F84-V95 PolarHBondContact O-N 3.44Å; L86-V95 HydrophobicContact CD2-CG2 3.61Å; T93-V95 HydrophobicContact CG2-CG2 4.44Å; V95-V458 CarbonylContact C-O 3.48Å; V95-V458 VanDerWaalsContact CA-O 3.3Å; V95-V458 WeakPolarHBondContact CA-O 3.22Å; V95-V458 HydrophobicContact CG2-CB 4.31Å
96	L	96.3	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.9	170.9	-56.6	-179.7	0	0	0	108.5	I83 V94 V102 F105 I457 V458 C459 S460	I83-L96 HydrophobicContact CB-CD2 4.12Å; I83-L96 HydrophobicContact CD1-CD2 3.68Å; I83-L96 HydrophobicContact CG1-CD2 3.75Å; V94-L96 HydrophobicContact CG1-CD2 4.32Å; L96-V102 HydrophobicContact CB-CG2 3.7Å; L96-F105 HydrophobicContact CD1-CB 3.74Å; L96-F105 HydrophobicContact CD1-CD1 4.07Å; L96-F105 HydrophobicContact CD1-CD2 3.68Å; L96-F105 HydrophobicContact CD1-CE2 4.19Å; L96-F105 HydrophobicContact CD1-CG 3.57Å; L96-I457 HydrophobicContact CD1-CG2 3.97Å; L96-I457 HydrophobicContact CG-CG2 4.05Å; L96-V458 PolarHBondContact N-O 2.86Å; L96-C459 CarbonylContact O-C 3.55Å; L96-S460 PolarHBondContact O-N 3.16Å
97	S	96.4	Very high	93.1	Very high	14 Å²	14	42.8 Å²	42.8	10%	0.098	21%	0.206	C	C	.	.			trans	-130.8	14.2	-178.3	55.5	0	0	0	0	112.9	A77 G81 G82 I464	A77-S97 VanDerWaalsContact CB-OG 3.32Å; A77-S97 WeakPolarHBondContact CB-OG 3.48Å; G81-S97 PolarHBondContact O-OG 3.4Å; G82-S97 WeakPolarHBondContact CA-OG 3.44Å; G82-S97 PolarHBondContact O-N 2.97Å; G82-S97 PolarHBondContact O-OG 3.23Å; S97-I464 VanDerWaalsContact C-CG1 3.49Å; S97-I464 WeakPolarHBondContact O-CG1 3.28Å
98	D	94.9	Very high	92.8	Very high	66 Å²	66	40.3 Å²	40.3	35%	0.353	19%	0.193	S	C	.	.			trans	-113.9	131.3	172.6	176.1	-78.6	0	0	0	110.2	G82 A100 L101 V102	G82-D98 PolarHBondContact O-N 3.25Å; D98-A100 VanDerWaalsContact C-N 3.32Å; D98-A100 PolarHBondContact O-N 2.88Å; D98-A100 WeakPolarHBondContact OD1-CA 3.25Å; D98-A100 VanDerWaalsContact OD1-CB 3.28Å; D98-A100 WeakPolarHBondContact OD1-CB 3.32Å; D98-A100 PolarHBondContact OD1-N 3.41Å; D98-L101 HydrophobicContact CB-CB 4.16Å; D98-L101 HydrophobicContact CB-CD1 4.04Å; D98-L101 HydrophobicContact CB-CG 4.04Å; D98-L101 PolarHBondContact O-N 3.3Å; D98-L101 PolarHBondContact OD1-N 3.44Å; D98-V102 WeakPolarHBondContact O-CB 3.4Å; D98-V102 VanDerWaalsContact O-CG2 3.28Å; D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.1Å
99	A	94.5	Very high	92.5	Very high	7 Å²	7	43.1 Å²	43.1	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-67.6	-28.4	-174.5	0	0	0	0	0	113.9	R103 I464 Q494	A99-R103 VanDerWaalsContact O-CG 3.28Å; A99-R103 WeakPolarHBondContact O-CG 3.41Å; A99-R103 PolarHBondContact O-N 3.42Å; A99-R103 VanDerWaalsContact O-N 3.17Å; A99-I464 HydrophobicContact CB-CG2 3.91Å; A99-Q494 HydrophobicContact CB-CB 4.4Å; A99-Q494 HydrophobicContact CB-CG 4.2Å
100	A	93.7	Very high	92	Very high	67 Å²	67	45.3 Å²	45.3	55%	0.554	22%	0.221	S	C	*	.	H	α-helix	trans	-74.9	-44.2	176.3	0	0	0	0	0	110.6	D98 V102 R103 D104	D98-A100 VanDerWaalsContact C-N 3.32Å; D98-A100 PolarHBondContact O-N 2.88Å; D98-A100 WeakPolarHBondContact OD1-CA 3.25Å; D98-A100 VanDerWaalsContact OD1-CB 3.28Å; D98-A100 WeakPolarHBondContact OD1-CB 3.32Å; D98-A100 PolarHBondContact OD1-N 3.41Å; A100-V102 VanDerWaalsContact C-N 3.35Å; A100-V102 PolarHBondContact O-N 3.47Å; A100-R103 PolarHBondContact O-N 3.08Å; A100-D104 PolarHBondContact O-N 3.25Å
101	L	92.7	Very high	91.7	Very high	36 Å²	36	36.7 Å²	36.7	19%	0.188	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-43.3	173.7	-66.5	-176.7	0	0	0	111.7	I83 D98 R103 D104 F105 V446	I83-L101 HydrophobicContact CB-CD1 3.9Å; I83-L101 HydrophobicContact CG2-CD1 3.96Å; D98-L101 HydrophobicContact CB-CB 4.16Å; D98-L101 HydrophobicContact CB-CD1 4.04Å; D98-L101 HydrophobicContact CB-CG 4.04Å; D98-L101 PolarHBondContact O-N 3.3Å; D98-L101 PolarHBondContact OD1-N 3.44Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-R103 PolarHBondContact O-N 2.91Å; L101-D104 PolarHBondContact O-N 3.34Å; L101-F105 WeakPolarHBondContact O-CB 3.34Å; L101-F105 PolarHBondContact O-N 3Å; L101-V446 HydrophobicContact CD2-CG1 4.25Å
102	V	93.6	Very high	91.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-42	176.6	167.4	0	0	0	0	111.5	L96 D98 A100 F105 F106 C459 I464 I496	L96-V102 HydrophobicContact CB-CG2 3.7Å; D98-V102 WeakPolarHBondContact O-CB 3.4Å; D98-V102 VanDerWaalsContact O-CG2 3.28Å; D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.1Å; A100-V102 VanDerWaalsContact C-N 3.35Å; A100-V102 PolarHBondContact O-N 3.47Å; V102-F105 WeakPolarHBondContact O-CB 3.37Å; V102-F106 HydrophobicContact CG1-CD2 3.54Å; V102-F106 HydrophobicContact CG1-CE2 3.53Å; V102-F106 WeakPolarHBondContact O-CD2 3.45Å; V102-F106 PolarHBondContact O-N 3.2Å; V102-C459 HydrophobicContact CG1-CB 4.44Å; V102-C459 HydrophobicContact CG2-CB 4.14Å; V102-I464 HydrophobicContact CB-CD1 4.48Å; V102-I464 HydrophobicContact CG2-CD1 3.88Å; V102-I496 HydrophobicContact CB-CD1 4.45Å; V102-I496 HydrophobicContact CG1-CD1 3.79Å
103	R	92.7	Very high	91.4	Very high	67 Å²	67	34.5 Å²	34.5	25%	0.253	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-45.6	176.6	-79.4	179.8	175	99.2	3.1	113.1	A99 A100 L101 F105 F106 R107 P493	A99-R103 VanDerWaalsContact O-CG 3.28Å; A99-R103 WeakPolarHBondContact O-CG 3.41Å; A99-R103 PolarHBondContact O-N 3.42Å; A99-R103 VanDerWaalsContact O-N 3.17Å; A100-R103 PolarHBondContact O-N 3.08Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-R103 PolarHBondContact O-N 2.91Å; R103-F105 VanDerWaalsContact C-N 3.3Å; R103-F106 PolarHBondContact O-N 3.11Å; R103-R107 VanDerWaalsContact O-CG 3.27Å; R103-R107 WeakPolarHBondContact O-CG 3.44Å; R103-R107 PolarHBondContact O-N 3.17Å; R103-P493 PolarHBondContact NH1-O 3.33Å; R103-P493 PolarHBondContact NH2-O 3.21Å
104	D	91.1	Very high	91.3	Very high	58 Å²	58	35.7 Å²	35.7	31%	0.31	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-46.1	177.3	178.2	47.4	0	0	0	110.4	A100 L101 F106 R107 R108	A100-D104 PolarHBondContact O-N 3.25Å; L101-D104 PolarHBondContact O-N 3.34Å; D104-F106 PolarHBondContact O-N 2.81Å; D104-R107 PolarHBondContact O-N 2.83Å; D104-R108 WeakPolarHBondContact O-CG 3.3Å; D104-R108 IonicContact OD1-NE 3.21Å; D104-R108 IonicContact OD1-NH2 3.95Å; D104-R108 IonicContact OD2-CZ 3.87Å; D104-R108 IonicContact OD2-NE 2.8Å; D104-R108 PolarHBondContact OD2-NE 3.3Å; D104-R108 IonicContact OD2-NH2 2.75Å; D104-R108 PolarHBondContact OD2-NH2 3.4Å
105	F	90.5	Very high	90.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-53.8	-52.6	174.3	179.3	-95.4	0	0	0	112.1	L96 L101 V102 R103 R107 R108 M111 H438 F444 V446 I457	L96-F105 HydrophobicContact CD1-CB 3.74Å; L96-F105 HydrophobicContact CD1-CD1 4.07Å; L96-F105 HydrophobicContact CD1-CD2 3.68Å; L96-F105 HydrophobicContact CD1-CE2 4.19Å; L96-F105 HydrophobicContact CD1-CG 3.57Å; L101-F105 WeakPolarHBondContact O-CB 3.34Å; L101-F105 PolarHBondContact O-N 3Å; V102-F105 WeakPolarHBondContact O-CB 3.37Å; R103-F105 VanDerWaalsContact C-N 3.3Å; F105-R107 PolarHBondContact O-N 2.91Å; F105-R108 PolarHBondContact O-N 3.34Å; F105-M111 HydrophobicContact CD1-CB 4.2Å; F105-M111 HydrophobicContact CD1-CG 4.06Å; F105-M111 HydrophobicContact CD2-CE 4.07Å; F105-M111 HydrophobicContact CD2-CG 3.7Å; F105-M111 HydrophobicContact CD2-SD 3.8Å; F105-M111 HydrophobicContact CE1-CB 3.9Å; F105-M111 HydrophobicContact CE1-CE 3.99Å; F105-M111 HydrophobicContact CE1-CG 3.98Å; F105-M111 HydrophobicContact CE2-CB 4.39Å; F105-M111 HydrophobicContact CE2-CE 3.04Å; F105-M111 HydrophobicContact CE2-CG 3.64Å; F105-M111 HydrophobicContact CE2-SD 3.35Å; F105-M111 WeakPolarHBondContact CE2-SD 3.46Å; F105-M111 HydrophobicContact CG-CG 3.93Å; F105-M111 HydrophobicContact CZ-CB 4.03Å; F105-M111 HydrophobicContact CZ-CE 3Å; F105-M111 HydrophobicContact CZ-CG 3.8Å; F105-M111 HydrophobicContact CZ-SD 3.82Å; F105-M111 WeakPolarHBondContact O-CB 3.45Å; F105-M111 WeakPolarHBondContact O-CG 3.48Å; F105-H438 HydrophobicContact CE1-CB 4.27Å; F105-H438 HydrophobicContact CZ-CB 4.15Å; F105-F444 HydrophobicContact CD2-CE2 4.13Å; F105-F444 AromaticContact CE2-CE2 3.83Å; F105-F444 HydrophobicContact CE2-CE2 3.83Å; F105-F444 AromaticContact CE2-CZ 3.99Å; F105-F444 HydrophobicContact CE2-CZ 3.99Å; F105-V446 HydrophobicContact CD2-CG2 4.17Å; F105-I457 HydrophobicContact CD2-CG2 4.47Å; F105-I457 HydrophobicContact CE1-CG2 4.18Å; F105-I457 HydrophobicContact CE2-CB 4.06Å; F105-I457 HydrophobicContact CE2-CG1 3.89Å; F105-I457 HydrophobicContact CE2-CG2 3.61Å; F105-I457 HydrophobicContact CZ-CB 3.6Å; F105-I457 HydrophobicContact CZ-CG1 3.76Å; F105-I457 HydrophobicContact CZ-CG2 3.42Å; F105-I457 VanDerWaalsContact CZ-CG2 3.42Å
106	F	91.3	Very high	90.2	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-72	-10.6	-176.5	-79.1	-53.4	0	0	0	115.8	V102 R103 D104 R108 H438 C459 S499 S500 G501 Y502 R503	V102-F106 HydrophobicContact CG1-CD2 3.54Å; V102-F106 HydrophobicContact CG1-CE2 3.53Å; V102-F106 WeakPolarHBondContact O-CD2 3.45Å; V102-F106 PolarHBondContact O-N 3.2Å; R103-F106 PolarHBondContact O-N 3.11Å; D104-F106 PolarHBondContact O-N 2.81Å; F106-R108 VanDerWaalsContact C-N 3.33Å; F106-H438 AromaticContact CE1-CD2 3.85Å; F106-H438 AromaticContact CE1-CE1 3.44Å; F106-H438 VanDerWaalsContact CE1-CE1 3.44Å; F106-H438 WeakPolarHBondContact CE1-CE1 3.35Å; F106-H438 AromaticContact CE1-NE2 3.29Å; F106-H438 VanDerWaalsContact CE1-NE2 3.29Å; F106-H438 WeakPolarHBondContact CE1-NE2 3.19Å; F106-H438 AromaticContact CZ-CD2 3.96Å; F106-H438 AromaticContact CZ-NE2 3.5Å; F106-H438 WeakPolarHBondContact CZ-NE2 3.48Å; F106-C459 HydrophobicContact CE2-CB 4.25Å; F106-C459 HydrophobicContact CZ-CB 4.37Å; F106-S499 WeakPolarHBondContact CE2-OG 3.41Å; F106-S500 WeakPolarHBondContact CB-O 3.11Å; F106-S500 VanDerWaalsContact CG-O 3.31Å; F106-S500 WeakPolarHBondContact CG-O 3.43Å; F106-G501 WeakPolarHBondContact O-CA 3.48Å; F106-Y502 PolarHBondContact O-N 3.43Å; F106-R503 HydrophobicContact CD1-CB 4.34Å; F106-R503 HydrophobicContact CE1-CB 4.27Å
107	R	91	Very high	89.8	Confident	176 Å²	176	41.9 Å²	41.9	66%	0.664	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.7	173.7	-75.6	169.4	176	-179.7	-1.6	113.5	R103 D104 F105 Y502	R103-R107 VanDerWaalsContact O-CG 3.27Å; R103-R107 WeakPolarHBondContact O-CG 3.44Å; R103-R107 PolarHBondContact O-N 3.17Å; D104-R107 PolarHBondContact O-N 2.83Å; F105-R107 PolarHBondContact O-N 2.91Å; R107-Y502 WeakPolarHBondContact O-CE2 3.29Å
108	R	88	Confident	89.3	Confident	74 Å²	74	44.7 Å²	44.7	28%	0.279	23%	0.23	S	C	.	.	S	Bend	trans	-96.5	136	-174.6	-63.5	161.9	179.2	-131.8	14.2	111.1	D104 F105 F106 V110 M111 V445	D104-R108 WeakPolarHBondContact O-CG 3.3Å; D104-R108 IonicContact OD1-NE 3.21Å; D104-R108 IonicContact OD1-NH2 3.95Å; D104-R108 IonicContact OD2-CZ 3.87Å; D104-R108 IonicContact OD2-NE 2.8Å; D104-R108 PolarHBondContact OD2-NE 3.3Å; D104-R108 IonicContact OD2-NH2 2.75Å; D104-R108 PolarHBondContact OD2-NH2 3.4Å; F105-R108 PolarHBondContact O-N 3.34Å; F106-R108 VanDerWaalsContact C-N 3.33Å; R108-V110 VanDerWaalsContact C-N 3.29Å; R108-V110 HydrophobicContact CB-CG2 3.96Å; R108-V110 PolarHBondContact O-N 2.92Å; R108-M111 HydrophobicContact CB-CG 4.06Å; R108-M111 WeakPolarHBondContact O-CB 3.35Å; R108-M111 PolarHBondContact O-N 2.64Å; R108-V445 VanDerWaalsContact CZ-O 3.31Å; R108-V445 PolarHBondContact NH1-O 2.83Å; R108-V445 PolarHBondContact NH2-O 2.82Å
109	D	85.1	Confident	88.9	Confident	75 Å²	75	41.8 Å²	41.8	40%	0.401	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-64.5	-33.8	-175.8	-164.7	62.1	0	0	0	113	M111 T112 R138	D109-M111 PolarHBondContact O-N 2.99Å; D109-T112 WeakPolarHBondContact O-CB 3.26Å; D109-T112 VanDerWaalsContact O-CG2 3.3Å; D109-T112 WeakPolarHBondContact O-CG2 3.29Å; D109-T112 PolarHBondContact O-N 3.19Å; D109-T112 VanDerWaalsContact O-N 3.09Å; D109-T112 PolarHBondContact O-OG1 2.9Å; D109-R138 IonicContact OD1-CZ 3.84Å; D109-R138 IonicContact OD1-NH1 3.03Å; D109-R138 PolarHBondContact OD1-NH1 3.43Å; D109-R138 IonicContact OD1-NH2 2.86Å; D109-R138 PolarHBondContact OD1-NH2 3.17Å; D109-R138 IonicContact OD2-CZ 3.22Å; D109-R138 IonicContact OD2-NH2 3.67Å; D109-R138 PolarHBondContact OD2-NH2 3.22Å
110	V	81.3	Confident	88.4	Confident	50 Å²	50	43.1 Å²	43.1	30%	0.303	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-58.6	-16.3	173.7	-66.7	0	0	0	0	113.5	R108 C440	R108-V110 VanDerWaalsContact C-N 3.29Å; R108-V110 HydrophobicContact CB-CG2 3.96Å; R108-V110 PolarHBondContact O-N 2.92Å; V110-C440 PolarHBondContact O-SG 3.36Å; V110-C440 VanDerWaalsContact O-SG 3.35Å
111	M	81.6	Confident	88	Confident	2 Å²	2	42 Å²	42	1%	0.01	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-96.4	11.2	-179.8	-49.9	-40.3	-36.9	0	0	114.2	F105 R108 D109 G113 H438 C440 F444 I457	F105-M111 HydrophobicContact CD1-CB 4.2Å; F105-M111 HydrophobicContact CD1-CG 4.06Å; F105-M111 HydrophobicContact CD2-CE 4.07Å; F105-M111 HydrophobicContact CD2-CG 3.7Å; F105-M111 HydrophobicContact CD2-SD 3.8Å; F105-M111 HydrophobicContact CE1-CB 3.9Å; F105-M111 HydrophobicContact CE1-CE 3.99Å; F105-M111 HydrophobicContact CE1-CG 3.98Å; F105-M111 HydrophobicContact CE2-CB 4.39Å; F105-M111 HydrophobicContact CE2-CE 3.04Å; F105-M111 HydrophobicContact CE2-CG 3.64Å; F105-M111 HydrophobicContact CE2-SD 3.35Å; F105-M111 WeakPolarHBondContact CE2-SD 3.46Å; F105-M111 HydrophobicContact CG-CG 3.93Å; F105-M111 HydrophobicContact CZ-CB 4.03Å; F105-M111 HydrophobicContact CZ-CE 3Å; F105-M111 HydrophobicContact CZ-CG 3.8Å; F105-M111 HydrophobicContact CZ-SD 3.82Å; F105-M111 WeakPolarHBondContact O-CB 3.45Å; F105-M111 WeakPolarHBondContact O-CG 3.48Å; R108-M111 HydrophobicContact CB-CG 4.06Å; R108-M111 WeakPolarHBondContact O-CB 3.35Å; R108-M111 PolarHBondContact O-N 2.64Å; D109-M111 PolarHBondContact O-N 2.99Å; M111-G113 PolarHBondContact O-N 3.08Å; M111-H438 PolarHBondContact O-ND1 2.77Å; M111-C440 HydrophobicContact CE-CB 4.17Å; M111-F444 HydrophobicContact CE-CE1 4.24Å; M111-F444 HydrophobicContact CE-CE2 4.07Å; M111-F444 HydrophobicContact CE-CZ 3.73Å; M111-F444 HydrophobicContact SD-CD2 3.93Å; M111-F444 HydrophobicContact SD-CE1 4.33Å; M111-F444 HydrophobicContact SD-CE2 3.53Å; M111-F444 VanDerWaalsContact SD-CE2 3.53Å; M111-F444 HydrophobicContact SD-CG 4.46Å; M111-F444 HydrophobicContact SD-CZ 3.78Å; M111-I457 HydrophobicContact CE-CG1 4.24Å
112	T	87.5	Confident	87.7	Confident	13 Å²	13	42.8 Å²	42.8	8%	0.08	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-75.5	-10.5	170.4	58.3	0	0	0	0	112.9	D109 W137 Y502 R503	D109-T112 WeakPolarHBondContact O-CB 3.26Å; D109-T112 VanDerWaalsContact O-CG2 3.3Å; D109-T112 WeakPolarHBondContact O-CG2 3.29Å; D109-T112 PolarHBondContact O-N 3.19Å; D109-T112 VanDerWaalsContact O-N 3.09Å; D109-T112 PolarHBondContact O-OG1 2.9Å; T112-W137 HydrophobicContact CG2-CE3 4.5Å; T112-W137 HydrophobicContact CG2-CH2 3.93Å; T112-W137 HydrophobicContact CG2-CZ3 3.59Å; T112-Y502 HydrophobicContact CG2-CD2 4.42Å; T112-Y502 HydrophobicContact CG2-CG 4.31Å; T112-R503 PolarHBondContact O-NH1 3.19Å; T112-R503 PolarHBondContact O-NH2 3.15Å
113	G	89.4	Confident	87.3	Confident	12 Å²	12	43 Å²	43	12%	0.124	22%	0.223	C	C	.	.			trans	-75.8	162	177.9	0	0	0	0	0	114.7	M111 H438 G439	M111-G113 PolarHBondContact O-N 3.08Å; G113-H438 PolarHBondContact O-ND1 2.76Å; G113-G439 CarbonylContact C-O 3.59Å; G113-G439 VanDerWaalsContact C-O 3.24Å; G113-G439 WeakPolarHBondContact CA-O 3.19Å; G113-G439 PolarHBondContact O-N 3.49Å
114	R	92.2	Very high	87	Confident	24 Å²	24	42.4 Å²	42.4	9%	0.091	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-116.6	152.1	174.2	-71	-67.5	-166.3	-167.1	2.8	110.7	P116 I130 Q133 I436 P437 H438	R114-P116 WeakPolarHBondContact O-CD 3.29Å; R114-I130 PolarHBondContact NE-O 3.29Å; R114-I130 PolarHBondContact NH2-O 2.91Å; R114-Q133 PolarHBondContact O-NE2 3.38Å; R114-I436 VanDerWaalsContact CZ-CG2 3.43Å; R114-I436 VanDerWaalsContact NH1-CB 3.3Å; R114-I436 VanDerWaalsContact NH1-CG2 3.29Å; R114-I436 PolarHBondContact NH1-O 2.82Å; R114-P437 VanDerWaalsContact CD-O 3.28Å; R114-P437 WeakPolarHBondContact CD-O 3.5Å; R114-H438 PolarHBondContact NH1-CE1 3.32Å; R114-H438 PolarHBondContact NH1-NE2 3.37Å
115	A	87.7	Confident	86.8	Confident	5 Å²	5	41.4 Å²	41.4	4%	0.041	23%	0.227	C	C	.	.			trans	-65.1	124.6	173.7	0	0	0	0	0	109.6	L117 H121 P437 M456	A115-L117 HydrophobicContact CB-CD1 4.33Å; A115-L117 HydrophobicContact CB-CD2 4.18Å; A115-L117 HydrophobicContact CB-CG 3.9Å; A115-L117 PolarHBondContact O-N 3.12Å; A115-H121 PolarHBondContact O-CE1 3.1Å; A115-H121 PolarHBondContact O-ND1 2.9Å; A115-P437 HydrophobicContact CB-CB 4.08Å; A115-M456 HydrophobicContact CB-CB 4.29Å; A115-M456 HydrophobicContact CB-CG 3.77Å; A115-M456 HydrophobicContact CB-SD 4.03Å
116	P	82.9	Confident	86.8	Confident	106 Å²	106	41.9 Å²	41.9	69%	0.688	23%	0.232	S	C	*	.			trans	-76.7	66.6	-177.4	31.8	-35.6	0	0	0	111.4	R114	R114-P116 WeakPolarHBondContact O-CD 3.29Å
117	L	87	Confident	86.8	Confident	21 Å²	21	44.3 Å²	44.3	11%	0.11	24%	0.242	C	C	.	.			trans	-84.2	146.9	-177.5	-54.5	177.6	0	0	0	111.3	A115 L119 T120 H121 N242 F243 M456	A115-L117 HydrophobicContact CB-CD1 4.33Å; A115-L117 HydrophobicContact CB-CD2 4.18Å; A115-L117 HydrophobicContact CB-CG 3.9Å; A115-L117 PolarHBondContact O-N 3.12Å; L117-L119 PolarHBondContact O-N 3.46Å; L117-T120 WeakPolarHBondContact CB-OG1 3.27Å; L117-T120 PolarHBondContact O-N 3.37Å; L117-T120 VanDerWaalsContact O-N 3.15Å; L117-T120 PolarHBondContact O-OG1 3.04Å; L117-H121 PolarHBondContact O-N 2.82Å; L117-N242 HydrophobicContact CB-CB 4.15Å; L117-N242 HydrophobicContact CD2-CB 4.18Å; L117-F243 HydrophobicContact CD2-CE1 4.23Å; L117-M456 HydrophobicContact CD1-SD 4.18Å; L117-M456 HydrophobicContact CD2-SD 4.11Å
118	Y	86.8	Confident	87	Confident	74 Å²	74	35.9 Å²	35.9	29%	0.29	21%	0.211	S	C	.	.	I	π-helix	trans	-56.4	-42.7	-176.2	178.4	-107.9	0	0	0	114	G122 I123 V241 N242 R248 I257	Y118-G122 CarbonylContact O-C 3.19Å; Y118-G122 WeakPolarHBondContact O-CA 3.39Å; Y118-G122 PolarHBondContact O-N 3.16Å; Y118-I123 HydrophobicContact CE1-CD1 4.11Å; Y118-I123 HydrophobicContact CE1-CG1 4.25Å; Y118-I123 PolarHBondContact O-N 3Å; Y118-V241 HydrophobicContact CD1-CG2 4.4Å; Y118-N242 PolarHBondContact N-OD1 3.26Å; Y118-R248 HydrophobicContact CE1-CG 4.35Å; Y118-I257 HydrophobicContact CE1-CD1 4.08Å; Y118-I257 HydrophobicContact CE1-CG1 4.48Å
119	L	85.5	Confident	87.3	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.026	20%	0.201	C	C	.	.	I	π-helix	trans	-64.3	-45.3	177.9	-66	179.6	0	0	0	111.4	L117 I123 M124 I235 V241 N242 L260	L117-L119 PolarHBondContact O-N 3.46Å; L119-I123 HydrophobicContact CD2-CD1 3.73Å; L119-I123 WeakPolarHBondContact O-CB 3.48Å; L119-M124 PolarHBondContact O-N 3.25Å; L119-I235 HydrophobicContact CD1-CG2 4.34Å; L119-V241 HydrophobicContact CD1-CG2 4.36Å; L119-V241 HydrophobicContact CD2-CG2 3.96Å; L119-V241 HydrophobicContact CG-CG2 4.1Å; L119-N242 WeakPolarHBondContact CG-OD1 3.05Å; L119-N242 PolarHBondContact N-OD1 2.98Å; L119-L260 HydrophobicContact CD2-CD1 3.85Å
120	T	84	Confident	87.7	Confident	35 Å²	35	32 Å²	32	22%	0.215	20%	0.195	C	C	.	.	I	π-helix	trans	-79.4	-37.9	-175.2	53.2	0	0	0	0	114.8	L117 M124 G126	L117-T120 WeakPolarHBondContact CB-OG1 3.27Å; L117-T120 PolarHBondContact O-N 3.37Å; L117-T120 VanDerWaalsContact O-N 3.15Å; L117-T120 PolarHBondContact O-OG1 3.04Å; T120-M124 CarbonylContact O-C 3.54Å; T120-M124 VanDerWaalsContact O-CB 3.32Å; T120-M124 WeakPolarHBondContact O-CB 3.38Å; T120-G126 PolarHBondContact O-N 3.35Å
121	H	87.3	Confident	88.2	Confident	44 Å²	44	30.4 Å²	30.4	20%	0.204	19%	0.186	C	C	.	.	I	π-helix	trans	-108.3	-32.4	-175.1	-67.8	70.5	0	0	0	111.8	A115 L117 G125 Q133	A115-H121 PolarHBondContact O-CE1 3.1Å; A115-H121 PolarHBondContact O-ND1 2.9Å; L117-H121 PolarHBondContact O-N 2.82Å; H121-G125 VanDerWaalsContact O-CA 3.22Å; H121-G125 WeakPolarHBondContact O-CA 3.33Å; H121-G125 PolarHBondContact O-N 2.86Å; H121-Q133 PolarHBondContact NE2-NE2 3.23Å
122	G	86	Confident	88.7	Confident	52 Å²	52	30.3 Å²	30.3	54%	0.536	19%	0.185	S	C	.	.	I	π-helix	trans	-76.8	-47.2	177.3	0	0	0	0	0	113	Y118	Y118-G122 CarbonylContact O-C 3.19Å; Y118-G122 WeakPolarHBondContact O-CA 3.39Å; Y118-G122 PolarHBondContact O-N 3.16Å
123	I	85.4	Confident	88.8	Confident	7 Å²	7	32 Å²	32	4%	0.036	19%	0.192	C	C	.	.	I	π-helix	trans	-88.4	-48.5	179.8	-59.5	178.9	0	0	0	111	Y118 L119 I257 L260 L261 K264	Y118-I123 HydrophobicContact CE1-CD1 4.11Å; Y118-I123 HydrophobicContact CE1-CG1 4.25Å; Y118-I123 PolarHBondContact O-N 3Å; L119-I123 HydrophobicContact CD2-CD1 3.73Å; L119-I123 WeakPolarHBondContact O-CB 3.48Å; I123-I257 HydrophobicContact CD1-CG1 4.43Å; I123-I257 HydrophobicContact CD1-CG2 4.03Å; I123-L260 HydrophobicContact CD1-CB 4.46Å; I123-L260 HydrophobicContact CD1-CD1 4.21Å; I123-L260 HydrophobicContact CG2-CB 4.28Å; I123-L261 HydrophobicContact CG2-CD2 3.94Å; I123-L261 HydrophobicContact CG2-CG 4.32Å; I123-K264 PolarHBondContact O-NZ 2.99Å
124	M	85.2	Confident	88.9	Confident	53 Å²	53	36.8 Å²	36.8	26%	0.261	21%	0.211	S	C	.	.	S	Bend	trans	-88.4	1.7	-178.2	-50.2	-58.4	-176.2	0	0	114.1	L119 T120 G126 I235 K264 H362	L119-M124 PolarHBondContact O-N 3.25Å; T120-M124 CarbonylContact O-C 3.54Å; T120-M124 VanDerWaalsContact O-CB 3.32Å; T120-M124 WeakPolarHBondContact O-CB 3.38Å; M124-G126 PolarHBondContact O-N 3.03Å; M124-I235 HydrophobicContact CE-CD1 4.45Å; M124-K264 HydrophobicContact SD-CD 4.22Å; M124-H362 PolarHBondContact O-CD2 2.98Å; M124-H362 VanDerWaalsContact O-CD2 3.25Å; M124-H362 PolarHBondContact O-NE2 3.42Å
125	G	87.4	Confident	88.9	Confident	37 Å²	37	41 Å²	41	38%	0.381	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-8.1	171.8	0	0	0	0	0	116.6	H121	H121-G125 VanDerWaalsContact O-CA 3.22Å; H121-G125 WeakPolarHBondContact O-CA 3.33Å; H121-G125 PolarHBondContact O-N 2.86Å
126	G	89.4	Confident	89.1	Confident	11 Å²	11	43.4 Å²	43.4	11%	0.113	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	22.2	-179.3	0	0	0	0	0	114.8	T120 M124 A132	T120-G126 PolarHBondContact O-N 3.35Å; M124-G126 PolarHBondContact O-N 3.03Å; G126-A132 VanDerWaalsContact O-CA 3.22Å; G126-A132 WeakPolarHBondContact O-CA 3.24Å; G126-A132 PolarHBondContact O-N 3.31Å
127	F	93	Very high	89.6	Confident	54 Å²	54	38.7 Å²	38.7	24%	0.237	22%	0.216	C	C	.	.			trans	-89.6	-176.8	172.5	-69.6	-77.5	0	0	0	111.9	D358 Q359 H362	F127-D358 HydrophobicContact CD1-CB 4.5Å; F127-D358 HydrophobicContact CD2-CB 3.96Å; F127-D358 HydrophobicContact CE2-CB 3.96Å; F127-D358 HydrophobicContact CG-CB 4.23Å; F127-D358 HydrophobicContact CZ-CB 4.24Å; F127-Q359 HydrophobicContact CD1-CB 4.18Å; F127-H362 HydrophobicContact CB-CB 3.76Å
128	G	94.3	Very high	90	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-141	176.2	0	0	0	0	0	112.7	A132 Q359	G128-A132 WeakPolarHBondContact O-CB 3.39Å; G128-Q359 PolarHBondContact O-NE2 3.36Å
129	I	94.9	Very high	90.4	Very high	15 Å²	15	40 Å²	40	8%	0.077	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-23.3	177.7	-168.8	169.8	0	0	0	112.1	W137 R141 T144 L363 D366 P506	I129-W137 VanDerWaalsContact O-CD1 3.25Å; I129-R141 HydrophobicContact CD1-CB 4.21Å; I129-R141 HydrophobicContact CG1-CB 4.48Å; I129-T144 HydrophobicContact CD1-CG2 3.97Å; I129-L363 HydrophobicContact CB-CD1 3.79Å; I129-L363 HydrophobicContact CG2-CD1 4.01Å; I129-D366 HydrophobicContact CG2-CB 3.74Å; I129-D366 PolarHBondContact N-OD2 2.95Å; I129-P506 HydrophobicContact CD1-CG 4.35Å
130	I	93.1	Very high	90.9	Very high	51 Å²	51	40 Å²	40	26%	0.262	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-53.4	-179.5	-62.9	175.7	0	0	0	110.1	R114 D366 A370 I436	R114-I130 PolarHBondContact NE-O 3.29Å; R114-I130 PolarHBondContact NH2-O 2.91Å; I130-D366 WeakPolarHBondContact CB-OD2 3.28Å; I130-D366 HydrophobicContact CD1-CB 3.85Å; I130-D366 HydrophobicContact CG1-CB 3.92Å; I130-D366 PolarHBondContact N-OD2 3.46Å; I130-A370 HydrophobicContact CD1-CB 4.41Å; I130-I436 HydrophobicContact CG2-CG2 4.25Å
131	C	91.9	Very high	91.5	Very high	17 Å²	17	39.7 Å²	39.7	12%	0.115	22%	0.216	C	C	.	.	S	Bend	trans	-99.2	-13.6	-174.1	-65.8	0	0	0	0	114.3
132	A	92.3	Very high	91.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.			trans	-55.6	147	175.7	0	0	0	0	0	112.5	G126 G128 I136 W137 R503	G126-A132 VanDerWaalsContact O-CA 3.22Å; G126-A132 WeakPolarHBondContact O-CA 3.24Å; G126-A132 PolarHBondContact O-N 3.31Å; G128-A132 WeakPolarHBondContact O-CB 3.39Å; A132-I136 HydrophobicContact CB-CB 4.46Å; A132-I136 HydrophobicContact CB-CG2 3.94Å; A132-W137 HydrophobicContact CB-CB 3.79Å; A132-W137 WeakPolarHBondContact O-CB 3.27Å; A132-R503 PolarHBondContact O-NH2 3.34Å
133	Q	90.2	Very high	92.4	Very high	49 Å²	49	44.7 Å²	44.7	23%	0.229	22%	0.218	C	C	.	.			trans	-123.8	164	-178.2	-54.2	-165.7	8.4	0	0	110.9	R114 H121 D135 I136 W137	R114-Q133 PolarHBondContact O-NE2 3.38Å; H121-Q133 PolarHBondContact NE2-NE2 3.23Å; Q133-D135 PolarHBondContact O-N 3.33Å; Q133-I136 PolarHBondContact O-N 3.18Å; Q133-W137 PolarHBondContact O-N 3.32Å
134	E	89.8	Confident	93	Very high	112 Å²	112	44.3 Å²	44.3	52%	0.523	22%	0.216	S	C	.	.	H	α-helix	trans	50.1	-131.7	170	-59.3	172.9	-166.9	0	0	111.6	W137 R138 K441	E134-W137 PolarHBondContact O-N 2.83Å; E134-R138 WeakPolarHBondContact O-CG 3.13Å; E134-R138 PolarHBondContact O-N 3.18Å; E134-K441 IonicContact OE1-NZ 3.85Å
135	D	92.2	Very high	93.5	Very high	113 Å²	113	43.8 Å²	43.8	60%	0.604	21%	0.214	S	C	*	.	H	α-helix	trans	-68.2	-36.3	-173	-65.8	-27	0	0	0	113.5	Q133 W137 R138 H139	Q133-D135 PolarHBondContact O-N 3.33Å; D135-W137 VanDerWaalsContact C-N 3.26Å; D135-W137 PolarHBondContact O-N 3.05Å; D135-R138 PolarHBondContact O-N 2.88Å; D135-H139 WeakPolarHBondContact O-CB 3.36Å; D135-H139 PolarHBondContact O-N 2.83Å
136	I	92.5	Very high	93.9	Very high	56 Å²	56	45.5 Å²	45.5	29%	0.287	22%	0.215	S	C	.	.	H	α-helix	trans	-56.3	-46.5	176.5	-60.6	175.6	0	0	0	109.6	A132 Q133 A140 L354 Q359	A132-I136 HydrophobicContact CB-CB 4.46Å; A132-I136 HydrophobicContact CB-CG2 3.94Å; Q133-I136 PolarHBondContact O-N 3.18Å; I136-A140 VanDerWaalsContact O-CB 3.23Å; I136-A140 WeakPolarHBondContact O-CB 3.36Å; I136-A140 PolarHBondContact O-N 2.65Å; I136-L354 HydrophobicContact CB-CD2 4.47Å; I136-L354 HydrophobicContact CG1-CD2 4.02Å; I136-Q359 HydrophobicContact CG2-CG 4.43Å; I136-Q359 VanDerWaalsContact CG2-OE1 3.3Å
137	W	94.5	Very high	94.3	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-71.3	-44.9	178.3	170.1	82.3	0	0	0	113.3	T112 I129 A132 Q133 E134 D135 H139 A140 R141 Y502 R503	T112-W137 HydrophobicContact CG2-CE3 4.5Å; T112-W137 HydrophobicContact CG2-CH2 3.93Å; T112-W137 HydrophobicContact CG2-CZ3 3.59Å; I129-W137 VanDerWaalsContact O-CD1 3.25Å; A132-W137 HydrophobicContact CB-CB 3.79Å; A132-W137 WeakPolarHBondContact O-CB 3.27Å; Q133-W137 PolarHBondContact O-N 3.32Å; E134-W137 PolarHBondContact O-N 2.83Å; D135-W137 VanDerWaalsContact C-N 3.26Å; D135-W137 PolarHBondContact O-N 3.05Å; W137-H139 PolarHBondContact O-N 3.34Å; W137-A140 PolarHBondContact O-N 3.47Å; W137-R141 VanDerWaalsContact CE2-CD 3.48Å; W137-R141 HydrophobicContact CZ2-CB 4.43Å; W137-R141 HydrophobicContact CZ2-CG 4.35Å; W137-R141 WeakPolarHBondContact O-CB 3.49Å; W137-R141 PolarHBondContact O-N 2.67Å; W137-Y502 WeakPolarHBondContact CH2-O 3.22Å; W137-Y502 VanDerWaalsContact CZ2-O 3.26Å; W137-Y502 WeakPolarHBondContact CZ2-O 3.31Å; W137-R503 VanDerWaalsContact CD1-NH1 3.31Å; W137-R503 VanDerWaalsContact CZ2-CD 3.46Å; W137-R503 HydrophobicContact CZ2-CG 4.26Å; W137-R503 VanDerWaalsContact CZ2-NH1 3.3Å; W137-R503 VanDerWaalsContact NE1-NH1 3.18Å
138	R	94.9	Very high	94.5	Very high	81 Å²	81	43.6 Å²	43.6	31%	0.306	20%	0.203	S	C	.	.	H	α-helix	trans	-59.5	-41.2	-179	-73.2	-171.2	-159.6	-95.9	0.8	110.8	D109 E134 D135 R142	D109-R138 IonicContact OD1-CZ 3.84Å; D109-R138 IonicContact OD1-NH1 3.03Å; D109-R138 PolarHBondContact OD1-NH1 3.43Å; D109-R138 IonicContact OD1-NH2 2.86Å; D109-R138 PolarHBondContact OD1-NH2 3.17Å; D109-R138 IonicContact OD2-CZ 3.22Å; D109-R138 IonicContact OD2-NH2 3.67Å; D109-R138 PolarHBondContact OD2-NH2 3.22Å; E134-R138 WeakPolarHBondContact O-CG 3.13Å; E134-R138 PolarHBondContact O-N 3.18Å; D135-R138 PolarHBondContact O-N 2.88Å; R138-R142 WeakPolarHBondContact O-CB 3.48Å; R138-R142 PolarHBondContact O-N 3.01Å
139	H	95.1	Very high	94.6	Very high	42 Å²	42	48.6 Å²	48.6	19%	0.194	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-59.6	175	-178.5	-87.7	0	0	0	111	D135 W137 R141 R142 E143 L354 Y355	D135-H139 WeakPolarHBondContact O-CB 3.36Å; D135-H139 PolarHBondContact O-N 2.83Å; W137-H139 PolarHBondContact O-N 3.34Å; H139-R141 VanDerWaalsContact C-N 3.25Å; H139-R141 PolarHBondContact O-N 2.66Å; H139-R142 PolarHBondContact O-N 3.24Å; H139-R142 VanDerWaalsContact O-N 3.11Å; H139-E143 PolarHBondContact O-N 3.28Å; H139-E143 VanDerWaalsContact O-N 3.12Å; H139-L354 HydrophobicContact CB-CD1 4.12Å; H139-L354 HydrophobicContact CB-CD2 4.41Å; H139-Y355 AromaticContact CE1-CE1 3.91Å; H139-Y355 AromaticContact CE1-CE2 3.65Å; H139-Y355 AromaticContact CE1-CZ 3.35Å; H139-Y355 PolarHBondContact CE1-OH 2.74Å; H139-Y355 VanDerWaalsContact CE1-OH 3.27Å; H139-Y355 AromaticContact NE2-CE2 3.76Å; H139-Y355 AromaticContact NE2-CZ 3.69Å; H139-Y355 PolarHBondContact NE2-OH 3.45Å
140	A	95.5	Very high	94.6	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-37.7	-177.5	0	0	0	0	0	113	I136 W137 T144 L363	I136-A140 VanDerWaalsContact O-CB 3.23Å; I136-A140 WeakPolarHBondContact O-CB 3.36Å; I136-A140 PolarHBondContact O-N 2.65Å; W137-A140 PolarHBondContact O-N 3.47Å; A140-T144 WeakPolarHBondContact O-CB 3.5Å; A140-T144 PolarHBondContact O-N 2.73Å; A140-T144 PolarHBondContact O-OG1 2.98Å; A140-L363 HydrophobicContact CB-CD1 4.5Å
141	R	96.6	Very high	94.7	Very high	30 Å²	30	48.1 Å²	48.1	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-43.7	177.8	178.8	172.2	-178.2	90	-5.3	112.8	I129 W137 H139 I145 Y502 M504	I129-R141 HydrophobicContact CD1-CB 4.21Å; I129-R141 HydrophobicContact CG1-CB 4.48Å; W137-R141 VanDerWaalsContact CE2-CD 3.48Å; W137-R141 HydrophobicContact CZ2-CB 4.43Å; W137-R141 HydrophobicContact CZ2-CG 4.35Å; W137-R141 WeakPolarHBondContact O-CB 3.49Å; W137-R141 PolarHBondContact O-N 2.67Å; H139-R141 VanDerWaalsContact C-N 3.25Å; H139-R141 PolarHBondContact O-N 2.66Å; R141-I145 HydrophobicContact CG-CD1 3.85Å; R141-I145 WeakPolarHBondContact O-CB 3.35Å; R141-I145 VanDerWaalsContact O-CG1 3.29Å; R141-I145 WeakPolarHBondContact O-CG1 3.4Å; R141-I145 PolarHBondContact O-N 2.94Å; R141-Y502 PolarHBondContact NE-O 2.84Å; R141-Y502 PolarHBondContact NH2-O 2.89Å; R141-M504 VanDerWaalsContact CZ-O 3.31Å; R141-M504 PolarHBondContact NH1-O 2.79Å; R141-M504 PolarHBondContact NH2-O 3.44Å
142	R	96.3	Very high	94.9	Very high	161 Å²	161	47.3 Å²	47.3	61%	0.608	22%	0.224	S	C	*	.	H	α-helix	trans	-60.4	-55.1	179.4	-175.1	-169.6	-46.4	-126.9	2	109.9	R138 H139 T144 I145 D146	R138-R142 WeakPolarHBondContact O-CB 3.48Å; R138-R142 PolarHBondContact O-N 3.01Å; H139-R142 PolarHBondContact O-N 3.24Å; H139-R142 VanDerWaalsContact O-N 3.11Å; R142-T144 PolarHBondContact O-N 3.38Å; R142-I145 PolarHBondContact O-N 2.83Å; R142-I145 VanDerWaalsContact O-N 3.15Å; R142-D146 PolarHBondContact O-N 3.42Å
143	E	95.9	Very high	95	Very high	39 Å²	39	48.2 Å²	48.2	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-50.5	177.9	-71.6	-54.6	120.1	0	0	111.9	H139 I145 D146 W147	H139-E143 PolarHBondContact O-N 3.28Å; H139-E143 VanDerWaalsContact O-N 3.12Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 2.68Å; E143-D146 PolarHBondContact O-N 3.29Å; E143-W147 HydrophobicContact CB-CD2 4.24Å; E143-W147 HydrophobicContact CB-CE3 4.4Å; E143-W147 HydrophobicContact CB-CH2 3.74Å; E143-W147 HydrophobicContact CB-CZ2 3.52Å; E143-W147 HydrophobicContact CB-CZ3 4.19Å; E143-W147 HydrophobicContact CG-CH2 4.43Å; E143-W147 HydrophobicContact CG-CZ2 4Å; E143-W147 VanDerWaalsContact O-CD2 3.27Å; E143-W147 PolarHBondContact O-N 3.41Å; E143-W147 WeakPolarHBondContact OE2-CZ2 3.44Å; E143-W147 PolarHBondContact OE2-NE1 2.81Å; E143-W147 VanDerWaalsContact OE2-NE1 3.15Å
144	T	97.1	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-43.1	178.7	-64.2	0	0	0	0	112.3	I129 A140 R142 D146 L148 L367	I129-T144 HydrophobicContact CD1-CG2 3.97Å; A140-T144 WeakPolarHBondContact O-CB 3.5Å; A140-T144 PolarHBondContact O-N 2.73Å; A140-T144 PolarHBondContact O-OG1 2.98Å; R142-T144 PolarHBondContact O-N 3.38Å; T144-D146 VanDerWaalsContact C-N 3.32Å; T144-L148 HydrophobicContact CG2-CD1 3.9Å; T144-L148 HydrophobicContact CG2-CG 4.35Å; T144-L148 WeakPolarHBondContact O-CB 3.1Å; T144-L148 WeakPolarHBondContact O-CG 3.41Å; T144-L148 PolarHBondContact O-N 2.96Å; T144-L367 HydrophobicContact CG2-CD2 3.66Å
145	I	96.9	Very high	95	Very high	42 Å²	42	50.7 Å²	50.7	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-41.6	178.7	-74.5	169.6	0	0	0	110.4	R141 R142 E143 L148 K149 P506	R141-I145 HydrophobicContact CG-CD1 3.85Å; R141-I145 WeakPolarHBondContact O-CB 3.35Å; R141-I145 VanDerWaalsContact O-CG1 3.29Å; R141-I145 WeakPolarHBondContact O-CG1 3.4Å; R141-I145 PolarHBondContact O-N 2.94Å; R142-I145 PolarHBondContact O-N 2.83Å; R142-I145 VanDerWaalsContact O-N 3.15Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 2.68Å; I145-L148 PolarHBondContact O-N 2.9Å; I145-K149 HydrophobicContact CG2-CD 4.32Å; I145-K149 VanDerWaalsContact CG2-CE 3.5Å; I145-K149 VanDerWaalsContact O-CG 3.31Å; I145-K149 WeakPolarHBondContact O-CG 3.44Å; I145-K149 PolarHBondContact O-N 2.71Å; I145-P506 HydrophobicContact CG1-CB 4.15Å
146	D	96	Very high	94.9	Very high	73 Å²	73	54.9 Å²	54.9	39%	0.39	24%	0.243	S	C	.	.	H	α-helix	trans	-71.1	-38.8	-178.7	-66.2	-24.7	0	0	0	111.5	R142 E143 T144 K149 A150	R142-D146 PolarHBondContact O-N 3.42Å; E143-D146 PolarHBondContact O-N 3.29Å; T144-D146 VanDerWaalsContact C-N 3.32Å; D146-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 3.85Å; D146-K149 PolarHBondContact OD1-NZ 3.43Å; D146-K149 VanDerWaalsContact OD1-NZ 3.1Å; D146-A150 WeakPolarHBondContact O-CB 3.2Å; D146-A150 PolarHBondContact O-N 3.48Å
147	W	97.4	Very high	94.7	Very high	11 Å²	11	58.1 Å²	58.1	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-41.5	172.4	-54.2	-21.5	0	0	0	112.1	E143 K149 A150 L151 I340 H343 F344 V347 L363	E143-W147 HydrophobicContact CB-CD2 4.24Å; E143-W147 HydrophobicContact CB-CE3 4.4Å; E143-W147 HydrophobicContact CB-CH2 3.74Å; E143-W147 HydrophobicContact CB-CZ2 3.52Å; E143-W147 HydrophobicContact CB-CZ3 4.19Å; E143-W147 HydrophobicContact CG-CH2 4.43Å; E143-W147 HydrophobicContact CG-CZ2 4Å; E143-W147 VanDerWaalsContact O-CD2 3.27Å; E143-W147 PolarHBondContact O-N 3.41Å; E143-W147 WeakPolarHBondContact OE2-CZ2 3.44Å; E143-W147 PolarHBondContact OE2-NE1 2.81Å; E143-W147 VanDerWaalsContact OE2-NE1 3.15Å; W147-K149 VanDerWaalsContact C-N 3.33Å; W147-K149 PolarHBondContact O-N 3.11Å; W147-A150 PolarHBondContact O-N 3.49Å; W147-L151 WeakPolarHBondContact O-CG 3.22Å; W147-L151 PolarHBondContact O-N 2.79Å; W147-I340 HydrophobicContact CB-CG1 4.45Å; W147-I340 HydrophobicContact CE3-CG2 3.58Å; W147-I340 HydrophobicContact CZ3-CG2 3.97Å; W147-H343 HydrophobicContact CB-CB 4.22Å; W147-H343 AromaticContact CD1-CG 3.63Å; W147-H343 AromaticContact CD1-ND1 3.71Å; W147-H343 HydrophobicContact CD2-CB 3.79Å; W147-H343 HydrophobicContact CG-CB 3.59Å; W147-H343 AromaticContact CG-CG 3.78Å; W147-F344 HydrophobicContact CH2-CB 3.88Å; W147-F344 AromaticContact CH2-CD2 3.56Å; W147-F344 HydrophobicContact CH2-CD2 3.56Å; W147-F344 HydrophobicContact CH2-CG 4.11Å; W147-F344 HydrophobicContact CZ2-CB 4.38Å; W147-F344 HydrophobicContact CZ3-CB 4.3Å; W147-F344 HydrophobicContact CZ3-CD2 4.09Å; W147-V347 HydrophobicContact CZ2-CG2 3.88Å; W147-L363 HydrophobicContact CH2-CD2 4.43Å; W147-L363 HydrophobicContact CZ3-CD2 3.91Å
148	L	97.3	Very high	94.7	Very high	14 Å²	14	60 Å²	60	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-40.9	175.1	-74.8	169.8	0	0	0	111.8	T144 I145 L151 G152 M153 I340 P506 M510	T144-L148 HydrophobicContact CG2-CD1 3.9Å; T144-L148 HydrophobicContact CG2-CG 4.35Å; T144-L148 WeakPolarHBondContact O-CB 3.1Å; T144-L148 WeakPolarHBondContact O-CG 3.41Å; T144-L148 PolarHBondContact O-N 2.96Å; I145-L148 PolarHBondContact O-N 2.9Å; L148-L151 PolarHBondContact O-N 3.24Å; L148-G152 PolarHBondContact O-N 2.88Å; L148-M153 HydrophobicContact CB-CB 4.11Å; L148-M153 HydrophobicContact CB-CE 3.62Å; L148-M153 HydrophobicContact CB-SD 3.88Å; L148-M153 HydrophobicContact CD1-CE 4.06Å; L148-M153 HydrophobicContact CD1-SD 4Å; L148-M153 HydrophobicContact CG-CE 4.46Å; L148-M153 HydrophobicContact CG-SD 4.36Å; L148-M153 WeakPolarHBondContact O-CB 3.43Å; L148-M153 PolarHBondContact O-N 2.72Å; L148-I340 HydrophobicContact CD2-CD1 4.07Å; L148-P506 HydrophobicContact CD1-CB 4.41Å; L148-M510 HydrophobicContact CD2-CE 4.17Å
149	K	95.9	Very high	94.6	Very high	104 Å²	104	62.3 Å²	62.3	45%	0.452	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-43.3	174.5	-71.6	169.1	-170	159.1	0	111.7	I145 D146 W147 L151 G152	I145-K149 HydrophobicContact CG2-CD 4.32Å; I145-K149 VanDerWaalsContact CG2-CE 3.5Å; I145-K149 VanDerWaalsContact O-CG 3.31Å; I145-K149 WeakPolarHBondContact O-CG 3.44Å; I145-K149 PolarHBondContact O-N 2.71Å; D146-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 3.85Å; D146-K149 PolarHBondContact OD1-NZ 3.43Å; D146-K149 VanDerWaalsContact OD1-NZ 3.1Å; W147-K149 VanDerWaalsContact C-N 3.33Å; W147-K149 PolarHBondContact O-N 3.11Å; K149-L151 PolarHBondContact O-N 2.77Å; K149-G152 WeakPolarHBondContact O-CA 3.28Å; K149-G152 PolarHBondContact O-N 2.84Å
150	A	94.9	Very high	94.6	Very high	43 Å²	43	64 Å²	64	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-35	176.3	0	0	0	0	0	111.8	D146 W147 G152	D146-A150 WeakPolarHBondContact O-CB 3.2Å; D146-A150 PolarHBondContact O-N 3.48Å; W147-A150 PolarHBondContact O-N 3.49Å; A150-G152 PolarHBondContact O-N 3.4Å
151	L	96.4	Very high	94.6	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.068	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3	172.7	-66.9	-179.7	0	0	0	114.6	W147 L148 K149 L164 L208 E338 I340	W147-L151 WeakPolarHBondContact O-CG 3.22Å; W147-L151 PolarHBondContact O-N 2.79Å; L148-L151 PolarHBondContact O-N 3.24Å; K149-L151 PolarHBondContact O-N 2.77Å; L151-L164 WeakPolarHBondContact O-CB 3.33Å; L151-L208 HydrophobicContact CD1-CD2 4.38Å; L151-E338 WeakPolarHBondContact CD2-O 3.34Å; L151-I340 HydrophobicContact CD1-CD1 4.46Å; L151-I340 HydrophobicContact CD1-CG1 3.82Å
152	G	95.8	Very high	94.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	10.9	177.6	0	0	0	0	0	115.7	L148 K149 A150 T154 L160 L164	L148-G152 PolarHBondContact O-N 2.88Å; K149-G152 WeakPolarHBondContact O-CA 3.28Å; K149-G152 PolarHBondContact O-N 2.84Å; A150-G152 PolarHBondContact O-N 3.4Å; G152-T154 PolarHBondContact O-N 2.79Å; G152-L160 WeakPolarHBondContact CA-O 3.42Å; G152-L164 WeakPolarHBondContact O-CD2 3.28Å
153	M	94.9	Very high	94.6	Very high	19 Å²	19	60.6 Å²	60.6	9%	0.094	31%	0.309	C	S	.	.			trans	-72.3	71.4	173.7	-168.5	-168.4	69.6	0	0	111	L148 P506 E509 M510	L148-M153 HydrophobicContact CB-CB 4.11Å; L148-M153 HydrophobicContact CB-CE 3.62Å; L148-M153 HydrophobicContact CB-SD 3.88Å; L148-M153 HydrophobicContact CD1-CE 4.06Å; L148-M153 HydrophobicContact CD1-SD 4Å; L148-M153 HydrophobicContact CG-CE 4.46Å; L148-M153 HydrophobicContact CG-SD 4.36Å; L148-M153 WeakPolarHBondContact O-CB 3.43Å; L148-M153 PolarHBondContact O-N 2.72Å; M153-P506 WeakPolarHBondContact CE-O 3.33Å; M153-E509 HydrophobicContact CG-CB 3.72Å; M153-E509 HydrophobicContact SD-CB 4.3Å; M153-M510 HydrophobicContact CB-CE 4.11Å; M153-M510 HydrophobicContact CG-CB 4.07Å; M153-M510 HydrophobicContact CG-CE 4.47Å; M153-M510 HydrophobicContact SD-CB 3.93Å
154	T	91.4	Very high	94.7	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.301	30%	0.3	S	S	.	.			trans	-135.1	151.9	179.5	-179.7	0	0	0	0	110.3	G152 R156 R161	G152-T154 PolarHBondContact O-N 2.79Å; T154-R156 PolarHBondContact OG1-N 2.95Å; T154-R161 HydrophobicContact CG2-CB 4.1Å; T154-R161 WeakPolarHBondContact O-CD 3.46Å; T154-R161 PolarHBondContact O-NH1 2.88Å
155	R	87.9	Confident	94.7	Very high	165 Å²	165	60.3 Å²	60.3	62%	0.623	31%	0.307	S	S	*	.	S	Bend	trans	-80.5	-19.1	172.7	-68.5	-177.5	-178.5	150.3	4.2	112.9	E509	R155-E509 HydrophobicContact CG-CG 4.43Å; R155-E509 WeakPolarHBondContact CG-OE2 3.48Å; R155-E509 IonicContact CZ-OE1 3.62Å; R155-E509 IonicContact CZ-OE2 3.63Å; R155-E509 IonicContact NE-OE1 2.76Å; R155-E509 PolarHBondContact NE-OE1 3.25Å; R155-E509 IonicContact NE-OE2 3.72Å; R155-E509 PolarHBondContact NE-OE2 3.49Å; R155-E509 IonicContact NH2-OE1 3.84Å; R155-E509 PolarHBondContact NH2-OE1 3.37Å; R155-E509 IonicContact NH2-OE2 3.86Å
156	R	89.1	Confident	94.8	Very high	200 Å²	200	64.9 Å²	64.9	76%	0.755	32%	0.322	S	S	*	.	S	Bend	trans	-77.4	132.6	-177.6	-65.5	-177.1	-177.8	171.9	-0	109.5	T154 R161	T154-R156 PolarHBondContact OG1-N 2.95Å; R156-R161 VanDerWaalsContact O-CD 3.31Å; R156-R161 WeakPolarHBondContact O-CD 3.44Å
157	P	89.8	Confident	94.9	Very high	124 Å²	124	62.6 Å²	62.6	81%	0.805	31%	0.307	S	S	*	.			trans	-56.5	145.8	167.5	-23	33.9	0	0	0	111
158	G	93.6	Very high	94.9	Very high	47 Å²	47	62 Å²	62	49%	0.485	31%	0.306	S	S	.	.	S	Bend	trans	160.1	171.1	-179.9	0	0	0	0	0	112.3	L160 R161 A162	G158-L160 VanDerWaalsContact C-N 3.34Å; G158-L160 PolarHBondContact O-N 3.34Å; G158-R161 PolarHBondContact O-N 3.4Å; G158-R161 VanDerWaalsContact O-N 3.15Å; G158-A162 PolarHBondContact O-N 3.47Å
159	E	93.9	Very high	95	Very high	129 Å²	129	61.8 Å²	61.8	60%	0.603	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-39.4	-173.3	-176.6	53	-141.6	0	0	112.9	R161 A162 R163 R166	E159-R161 VanDerWaalsContact C-N 3.32Å; E159-R161 PolarHBondContact O-N 3.09Å; E159-A162 PolarHBondContact O-N 2.93Å; E159-R163 WeakPolarHBondContact O-CB 3.4Å; E159-R163 PolarHBondContact O-N 2.96Å; E159-R166 IonicContact OE1-CZ 3.99Å; E159-R166 IonicContact OE1-NH2 3.47Å; E159-R166 PolarHBondContact OE1-NH2 3.37Å
160	L	93.3	Very high	95.1	Very high	77 Å²	77	65 Å²	65	40%	0.403	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-43.8	176.8	-66.7	178.2	0	0	0	111.9	G152 G158 R163 L164	G152-L160 WeakPolarHBondContact CA-O 3.42Å; G158-L160 VanDerWaalsContact C-N 3.34Å; G158-L160 PolarHBondContact O-N 3.34Å; L160-R163 PolarHBondContact O-N 2.83Å; L160-L164 PolarHBondContact O-N 3.39Å
161	R	95.7	Very high	95.2	Very high	21 Å²	21	63.3 Å²	63.3	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-67	-42.2	178	-177.6	176.5	172.1	74.3	-1.7	111.1	T154 R156 G158 E159 L164 E165 E413 M513	T154-R161 HydrophobicContact CG2-CB 4.1Å; T154-R161 WeakPolarHBondContact O-CD 3.46Å; T154-R161 PolarHBondContact O-NH1 2.88Å; R156-R161 VanDerWaalsContact O-CD 3.31Å; R156-R161 WeakPolarHBondContact O-CD 3.44Å; G158-R161 PolarHBondContact O-N 3.4Å; G158-R161 VanDerWaalsContact O-N 3.15Å; E159-R161 VanDerWaalsContact C-N 3.32Å; E159-R161 PolarHBondContact O-N 3.09Å; R161-L164 PolarHBondContact O-N 3.02Å; R161-E165 PolarHBondContact O-N 3.02Å; R161-E413 IonicContact CZ-OE1 3.87Å; R161-E413 IonicContact CZ-OE2 3.92Å; R161-E413 IonicContact NH2-OE1 3.76Å; R161-E413 PolarHBondContact NH2-OE1 3.38Å; R161-E413 IonicContact NH2-OE2 2.79Å; R161-E413 PolarHBondContact NH2-OE2 3.36Å; R161-M513 HydrophobicContact CG-CE 4.24Å; R161-M513 PolarHBondContact NH1-SD 2.67Å; R161-M513 VanDerWaalsContact NH1-SD 3.44Å
162	A	96.8	Very high	95.3	Very high	37 Å²	37	62.7 Å²	62.7	31%	0.306	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-38.6	176.4	0	0	0	0	0	112.1	G158 E159 E165 R166	G158-A162 PolarHBondContact O-N 3.47Å; E159-A162 PolarHBondContact O-N 2.93Å; A162-E165 PolarHBondContact O-N 3.28Å; A162-R166 WeakPolarHBondContact O-CG 3.45Å; A162-R166 PolarHBondContact O-N 3.44Å; A162-R166 PolarHBondContact O-NE 3.18Å
163	R	96.5	Very high	95.5	Very high	66 Å²	66	65.7 Å²	65.7	25%	0.249	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-44.9	173.3	-176.9	-179.2	173.5	-172.1	0	111.2	E159 L160 R166 R167 E338	E159-R163 WeakPolarHBondContact O-CB 3.4Å; E159-R163 PolarHBondContact O-N 2.96Å; L160-R163 PolarHBondContact O-N 2.83Å; R163-R166 PolarHBondContact O-N 3.39Å; R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 3.24Å; R163-E338 IonicContact NH2-OE1 3.4Å; R163-E338 PolarHBondContact NH2-OE1 2.98Å
164	L	97.7	Very high	95.6	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-46.5	175.6	-178	54.8	0	0	0	111.9	L151 G152 L160 R161 R166 R167 I168 L208 M510 M513	L151-L164 WeakPolarHBondContact O-CB 3.33Å; G152-L164 WeakPolarHBondContact O-CD2 3.28Å; L160-L164 PolarHBondContact O-N 3.39Å; R161-L164 PolarHBondContact O-N 3.02Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.75Å; L164-R167 WeakPolarHBondContact O-CB 3.48Å; L164-R167 PolarHBondContact O-N 3.21Å; L164-R167 VanDerWaalsContact O-N 3.13Å; L164-I168 HydrophobicContact CD1-CD1 4.09Å; L164-I168 HydrophobicContact CD1-CG1 4.3Å; L164-I168 HydrophobicContact CG-CD1 3.94Å; L164-I168 WeakPolarHBondContact O-CG1 3.34Å; L164-I168 PolarHBondContact O-N 3.49Å; L164-L208 HydrophobicContact CD1-CD1 4.22Å; L164-L208 HydrophobicContact CD1-CD2 3.57Å; L164-M510 HydrophobicContact CD1-CE 3.77Å; L164-M510 HydrophobicContact CD1-SD 3.85Å; L164-M510 HydrophobicContact CD2-CE 3.55Å; L164-M510 HydrophobicContact CD2-SD 3.78Å; L164-M510 HydrophobicContact CG-CE 4.29Å; L164-M510 HydrophobicContact CG-SD 4.23Å; L164-M513 HydrophobicContact CB-CE 4.22Å; L164-M513 HydrophobicContact CD2-CE 3.72Å; L164-M513 HydrophobicContact CD2-SD 3.71Å; L164-M513 HydrophobicContact CG-CE 3.85Å; L164-M513 HydrophobicContact CG-SD 4.44Å
165	E	98	Very high	96	Very high	33 Å²	33	65 Å²	65	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-47.4	175.5	175.9	176.4	174	0	0	111.1	R161 A162 R167 I168 A169 T408 L409 L517	R161-E165 PolarHBondContact O-N 3.02Å; A162-E165 PolarHBondContact O-N 3.28Å; E165-R167 VanDerWaalsContact C-N 3.27Å; E165-R167 PolarHBondContact O-N 3.13Å; E165-I168 PolarHBondContact O-N 3.35Å; E165-A169 WeakPolarHBondContact O-CB 3.49Å; E165-A169 PolarHBondContact O-N 2.72Å; E165-T408 WeakPolarHBondContact OE1-CA 3.12Å; E165-T408 WeakPolarHBondContact OE1-CB 3.39Å; E165-L409 HydrophobicContact CG-CB 4.27Å; E165-L409 PolarHBondContact OE1-N 2.81Å; E165-L409 WeakPolarHBondContact OE2-CB 3.24Å; E165-L517 HydrophobicContact CG-CD1 4.2Å
166	R	98.1	Very high	96.5	Very high	138 Å²	138	58.1 Å²	58.1	52%	0.521	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-37	178	-75.8	-178.3	-75.3	127.4	-10.6	112.9	E159 A162 R163 L164 R170	E159-R166 IonicContact OE1-CZ 3.99Å; E159-R166 IonicContact OE1-NH2 3.47Å; E159-R166 PolarHBondContact OE1-NH2 3.37Å; A162-R166 WeakPolarHBondContact O-CG 3.45Å; A162-R166 PolarHBondContact O-N 3.44Å; A162-R166 PolarHBondContact O-NE 3.18Å; R163-R166 PolarHBondContact O-N 3.39Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.75Å; R166-R170 PolarHBondContact O-N 3.2Å
167	R	98	Very high	96.9	Very high	24 Å²	24	54.6 Å²	54.6	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-46.9	176.4	-66.5	172.2	75.6	168.9	11.3	111.5	R163 L164 E165 D207 E338	R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 3.24Å; L164-R167 WeakPolarHBondContact O-CB 3.48Å; L164-R167 PolarHBondContact O-N 3.21Å; L164-R167 VanDerWaalsContact O-N 3.13Å; E165-R167 VanDerWaalsContact C-N 3.27Å; E165-R167 PolarHBondContact O-N 3.13Å; R167-D207 IonicContact CZ-OD1 3.92Å; R167-D207 IonicContact CZ-OD2 3.51Å; R167-D207 IonicContact NE-OD1 2.88Å; R167-D207 IonicContact NE-OD2 3.57Å; R167-D207 PolarHBondContact NE-OD2 2.83Å; R167-D207 VanDerWaalsContact NH2-C 3.27Å; R167-D207 PolarHBondContact NH2-O 2.84Å; R167-D207 IonicContact NH2-OD1 3.1Å; R167-D207 PolarHBondContact NH2-OD1 3.35Å; R167-D207 IonicContact NH2-OD2 3.46Å; R167-D207 PolarHBondContact NH2-OD2 2.89Å; R167-E338 PolarHBondContact NH1-O 3.43Å; R167-E338 PolarHBondContact NH2-O 3.43Å
168	I	98.6	Very high	97.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-48.9	177.3	-62.5	167.6	0	0	0	110.3	L164 E165 R170 G171 V172 I204 M510 M513 I514 L517	L164-I168 HydrophobicContact CD1-CD1 4.09Å; L164-I168 HydrophobicContact CD1-CG1 4.3Å; L164-I168 HydrophobicContact CG-CD1 3.94Å; L164-I168 WeakPolarHBondContact O-CG1 3.34Å; L164-I168 PolarHBondContact O-N 3.49Å; E165-I168 PolarHBondContact O-N 3.35Å; I168-R170 VanDerWaalsContact C-N 3.27Å; I168-R170 PolarHBondContact O-N 3.13Å; I168-G171 PolarHBondContact O-N 3.31Å; I168-V172 HydrophobicContact CG2-CG2 4.11Å; I168-V172 WeakPolarHBondContact O-CG2 3.44Å; I168-V172 PolarHBondContact O-N 2.93Å; I168-I204 HydrophobicContact CG1-CG2 4.09Å; I168-I204 HydrophobicContact CG2-CD1 4.26Å; I168-I204 WeakPolarHBondContact O-CD1 3.49Å; I168-M510 HydrophobicContact CD1-SD 4.1Å; I168-M513 HydrophobicContact CD1-CB 3.97Å; I168-M513 HydrophobicContact CD1-CE 4.28Å; I168-I514 HydrophobicContact CD1-CG1 3.92Å; I168-I514 HydrophobicContact CG1-CG1 4.21Å; I168-I514 HydrophobicContact CG2-CG1 4.1Å; I168-L517 HydrophobicContact CB-CD1 3.91Å; I168-L517 HydrophobicContact CG2-CB 4.31Å; I168-L517 HydrophobicContact CG2-CD1 3.52Å
169	A	98.4	Very high	97.5	Very high	9 Å²	9	47.2 Å²	47.2	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-53.7	-41.4	-179.8	0	0	0	0	0	112.2	E165 G171 V172 D173	E165-A169 WeakPolarHBondContact O-CB 3.49Å; E165-A169 PolarHBondContact O-N 2.72Å; A169-G171 VanDerWaalsContact C-N 3.33Å; A169-G171 PolarHBondContact O-N 3.38Å; A169-V172 PolarHBondContact O-N 3.41Å; A169-V172 VanDerWaalsContact O-N 3.16Å; A169-D173 WeakPolarHBondContact O-CB 3.45Å; A169-D173 PolarHBondContact O-N 3.45Å
170	R	98.2	Very high	97.6	Very high	172 Å²	172	42.3 Å²	42.3	65%	0.649	19%	0.191	S	C	*	.	H	α-helix	trans	-55.4	-46.4	175.7	-172.4	-170.1	-56	173	3.2	112.3	R166 I168 E174	R166-R170 PolarHBondContact O-N 3.2Å; I168-R170 VanDerWaalsContact C-N 3.27Å; I168-R170 PolarHBondContact O-N 3.13Å; R170-E174 PolarHBondContact O-N 2.89Å; R170-E174 VanDerWaalsContact O-N 3.1Å
171	G	98.3	Very high	97.7	Very high	7 Å²	7	40.8 Å²	40.8	7%	0.072	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-36.2	177.4	0	0	0	0	0	112.5	I168 A169 E174 C175 S200	I168-G171 PolarHBondContact O-N 3.31Å; A169-G171 VanDerWaalsContact C-N 3.33Å; A169-G171 PolarHBondContact O-N 3.38Å; G171-E174 PolarHBondContact O-N 3.06Å; G171-C175 PolarHBondContact O-N 3.05Å; G171-S200 VanDerWaalsContact O-CB 3.27Å; G171-S200 WeakPolarHBondContact O-CB 3.44Å; G171-S200 PolarHBondContact O-OG 3.32Å
172	V	98.6	Very high	97.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-44.3	175.2	178.8	0	0	0	0	111.3	I168 A169 E174 C175 V176 L517 F518 R521	I168-V172 HydrophobicContact CG2-CG2 4.11Å; I168-V172 WeakPolarHBondContact O-CG2 3.44Å; I168-V172 PolarHBondContact O-N 2.93Å; A169-V172 PolarHBondContact O-N 3.41Å; A169-V172 VanDerWaalsContact O-N 3.16Å; V172-E174 VanDerWaalsContact C-N 3.32Å; V172-E174 PolarHBondContact O-N 2.95Å; V172-C175 WeakPolarHBondContact O-CB 3.26Å; V172-C175 PolarHBondContact O-N 3.48Å; V172-C175 VanDerWaalsContact O-N 3.12Å; V172-V176 HydrophobicContact CG1-CG2 4.47Å; V172-V176 WeakPolarHBondContact O-CG2 3.46Å; V172-V176 PolarHBondContact O-N 2.88Å; V172-L517 HydrophobicContact CG2-CB 4.07Å; V172-F518 HydrophobicContact CG1-CD1 4.42Å; V172-F518 HydrophobicContact CG2-CD1 4.08Å; V172-F518 HydrophobicContact CG2-CD2 3.58Å; V172-F518 HydrophobicContact CG2-CE1 4.15Å; V172-F518 HydrophobicContact CG2-CE2 3.66Å; V172-F518 HydrophobicContact CG2-CG 3.8Å; V172-F518 HydrophobicContact CG2-CZ 3.95Å; V172-R521 HydrophobicContact CG1-CB 3.76Å; V172-R521 HydrophobicContact CG1-CG 4.18Å
173	D	98.4	Very high	97.7	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-65.3	-37.3	178.5	-67	-24.8	0	0	0	111.3	A169 R177 R521	A169-D173 WeakPolarHBondContact O-CB 3.45Å; A169-D173 PolarHBondContact O-N 3.45Å; D173-R177 WeakPolarHBondContact O-CB 3.46Å; D173-R177 PolarHBondContact O-N 2.83Å; D173-R521 IonicContact OD1-CZ 3.8Å; D173-R521 IonicContact OD1-NH1 3.08Å; D173-R521 PolarHBondContact OD1-NH1 3.47Å; D173-R521 IonicContact OD2-NH1 3.84Å; D173-R521 PolarHBondContact OD2-NH1 3.46Å; D173-R521 VanDerWaalsContact OD2-NH1 3.08Å
174	E	98.3	Very high	97.6	Very high	54 Å²	54	46.2 Å²	46.2	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-60.1	-46.5	169.6	-179.5	176.3	-140.3	0	0	111.7	R170 G171 V172 V176 R177 L178 H199	R170-E174 PolarHBondContact O-N 2.89Å; R170-E174 VanDerWaalsContact O-N 3.1Å; G171-E174 PolarHBondContact O-N 3.06Å; V172-E174 VanDerWaalsContact C-N 3.32Å; V172-E174 PolarHBondContact O-N 2.95Å; E174-V176 PolarHBondContact O-N 3.25Å; E174-R177 WeakPolarHBondContact O-CB 3.2Å; E174-R177 PolarHBondContact O-N 3.18Å; E174-L178 HydrophobicContact CG-CD1 4.11Å; E174-L178 HydrophobicContact CG-CG 4.39Å; E174-L178 VanDerWaalsContact O-CG 3.31Å; E174-L178 WeakPolarHBondContact O-CG 3.1Å; E174-L178 PolarHBondContact O-N 3.18Å; E174-H199 IonicContact OE1-CD2 2.77Å; E174-H199 IonicContact OE1-NE2 3.76Å; E174-H199 PolarHBondContact OE1-NE2 3.44Å; E174-H199 IonicContact OE2-CD2 2.69Å; E174-H199 IonicContact OE2-NE2 2.68Å
175	C	98.6	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-47	179	-166.9	0	0	0	0	111.6	G171 V172 R177 L178 F179 S200 F518	G171-C175 PolarHBondContact O-N 3.05Å; V172-C175 WeakPolarHBondContact O-CB 3.26Å; V172-C175 PolarHBondContact O-N 3.48Å; V172-C175 VanDerWaalsContact O-N 3.12Å; C175-R177 VanDerWaalsContact C-N 3.32Å; C175-R177 PolarHBondContact O-N 2.83Å; C175-L178 WeakPolarHBondContact O-CB 3.38Å; C175-L178 PolarHBondContact O-N 3.15Å; C175-L178 VanDerWaalsContact O-N 3.15Å; C175-F179 PolarHBondContact O-N 2.78Å; C175-S200 PolarHBondContact N-OG 3.44Å; C175-F518 HydrophobicContact CB-CE1 3.8Å
176	V	98.2	Very high	97.1	Very high	20 Å²	20	53.5 Å²	53.5	12%	0.121	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-42.8	176.1	168	0	0	0	0	111.2	V172 E174 F179 D180 R521 I522 R525 F526	V172-V176 HydrophobicContact CG1-CG2 4.47Å; V172-V176 WeakPolarHBondContact O-CG2 3.46Å; V172-V176 PolarHBondContact O-N 2.88Å; E174-V176 PolarHBondContact O-N 3.25Å; V176-F179 PolarHBondContact O-N 2.99Å; V176-D180 PolarHBondContact O-N 3.1Å; V176-R521 HydrophobicContact CG2-CB 4.44Å; V176-I522 HydrophobicContact CG2-CG1 4.11Å; V176-R525 HydrophobicContact CG1-CB 4.19Å; V176-R525 HydrophobicContact CG1-CG 3.81Å; V176-F526 HydrophobicContact CG1-CE2 3.95Å; V176-F526 HydrophobicContact CG1-CZ 4.38Å
177	R	97.8	Very high	96.3	Very high	125 Å²	125	52.5 Å²	52.5	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-39.5	176.1	-174.4	-167.1	59.9	68.9	1	112.1	D173 E174 C175 D180 T181	D173-R177 WeakPolarHBondContact O-CB 3.46Å; D173-R177 PolarHBondContact O-N 2.83Å; E174-R177 WeakPolarHBondContact O-CB 3.2Å; E174-R177 PolarHBondContact O-N 3.18Å; C175-R177 VanDerWaalsContact C-N 3.32Å; C175-R177 PolarHBondContact O-N 2.83Å; R177-D180 PolarHBondContact O-N 2.85Å; R177-T181 WeakPolarHBondContact O-CB 3.39Å; R177-T181 PolarHBondContact O-N 3.44Å; R177-T181 PolarHBondContact O-OG1 3.33Å
178	L	97.7	Very high	95.8	Very high	17 Å²	17	54 Å²	54	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-44	176.3	-71.9	172.4	0	0	0	111	E174 C175 T181 E182 A196	E174-L178 HydrophobicContact CG-CD1 4.11Å; E174-L178 HydrophobicContact CG-CG 4.39Å; E174-L178 VanDerWaalsContact O-CG 3.31Å; E174-L178 WeakPolarHBondContact O-CG 3.1Å; E174-L178 PolarHBondContact O-N 3.18Å; C175-L178 WeakPolarHBondContact O-CB 3.38Å; C175-L178 PolarHBondContact O-N 3.15Å; C175-L178 VanDerWaalsContact O-N 3.15Å; L178-T181 PolarHBondContact O-N 3.27Å; L178-E182 WeakPolarHBondContact O-CB 3.35Å; L178-E182 PolarHBondContact O-N 2.61Å; L178-A196 HydrophobicContact CB-CB 3.84Å; L178-A196 HydrophobicContact CD1-CB 4.06Å
179	F	97.9	Very high	95.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-44.8	173.5	-69	-29.5	0	0	0	112.9	C175 V176 T181 E182 A183 V191 P193 A196 L197 I522 F526 F555	C175-F179 PolarHBondContact O-N 2.78Å; V176-F179 PolarHBondContact O-N 2.99Å; F179-T181 VanDerWaalsContact C-N 3.26Å; F179-T181 PolarHBondContact O-N 3.2Å; F179-E182 PolarHBondContact O-N 3.42Å; F179-A183 WeakPolarHBondContact O-CB 3.16Å; F179-A183 PolarHBondContact O-N 3.02Å; F179-V191 HydrophobicContact CD1-CG1 3.88Å; F179-V191 HydrophobicContact CE1-CG1 4.26Å; F179-P193 HydrophobicContact CE1-CB 4.26Å; F179-P193 HydrophobicContact CZ-CB 4.11Å; F179-A196 HydrophobicContact CD1-CB 3.87Å; F179-A196 HydrophobicContact CE1-CB 3.53Å; F179-A196 HydrophobicContact CZ-CB 4.22Å; F179-L197 HydrophobicContact CZ-CD2 4.28Å; F179-L197 HydrophobicContact CZ-CG 3.95Å; F179-I522 HydrophobicContact CD2-CG1 4.4Å; F179-I522 HydrophobicContact CE2-CD1 3.83Å; F179-I522 HydrophobicContact CE2-CG1 4.2Å; F179-F526 HydrophobicContact CB-CE2 3.9Å; F179-F526 HydrophobicContact CB-CZ 3.94Å; F179-F555 HydrophobicContact CB-CD1 4.24Å; F179-F555 HydrophobicContact CB-CE1 4.28Å; F179-F555 HydrophobicContact CD1-CE1 4.36Å; F179-F555 HydrophobicContact CD1-CZ 4.32Å; F179-F555 HydrophobicContact CD2-CD1 4.4Å; F179-F555 AromaticContact CD2-CE1 3.68Å; F179-F555 HydrophobicContact CD2-CE1 3.68Å; F179-F555 HydrophobicContact CD2-CZ 4.24Å; F179-F555 HydrophobicContact CE1-CZ 4.27Å; F179-F555 AromaticContact CE2-CE1 3.97Å; F179-F555 HydrophobicContact CE2-CE1 3.97Å; F179-F555 HydrophobicContact CE2-CZ 4.19Å; F179-F555 HydrophobicContact CG-CD1 4.33Å; F179-F555 AromaticContact CG-CE1 3.87Å; F179-F555 HydrophobicContact CG-CE1 3.87Å; F179-F555 HydrophobicContact CG-CZ 4.3Å; F179-F555 HydrophobicContact CZ-CE1 4.41Å; F179-F555 HydrophobicContact CZ-CZ 4.18Å
180	D	96.2	Very high	95.4	Very high	25 Å²	25	58.4 Å²	58.4	13%	0.134	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-39.1	176.7	-169.1	43.9	0	0	0	111.1	V176 R177 K184 F526 K557	V176-D180 PolarHBondContact O-N 3.1Å; R177-D180 PolarHBondContact O-N 2.85Å; D180-K184 WeakPolarHBondContact O-CB 3.28Å; D180-K184 VanDerWaalsContact O-CD 3.31Å; D180-K184 WeakPolarHBondContact O-CD 3.4Å; D180-K184 WeakPolarHBondContact O-CG 3.48Å; D180-K184 PolarHBondContact O-N 2.75Å; D180-K184 WeakPolarHBondContact OD1-CE 3.26Å; D180-K184 IonicContact OD1-NZ 2.76Å; D180-K184 IonicContact OD2-NZ 3.19Å; D180-K184 PolarHBondContact OD2-NZ 3.38Å; D180-F526 HydrophobicContact CB-CE1 4.3Å; D180-F526 HydrophobicContact CB-CZ 3.96Å; D180-K557 WeakPolarHBondContact OD1-CD 3.45Å; D180-K557 IonicContact OD1-NZ 3.07Å; D180-K557 PolarHBondContact OD1-NZ 3.4Å; D180-K557 IonicContact OD2-NZ 3.39Å; D180-K557 PolarHBondContact OD2-NZ 3.23Å; D180-K557 VanDerWaalsContact OD2-NZ 3.07Å
181	T	96.7	Very high	95.3	Very high	46 Å²	46	50.3 Å²	50.3	28%	0.282	27%	0.265	S	S	.	.	H	α-helix	trans	-70.2	-43.6	179.4	-61	0	0	0	0	111.7	R177 L178 F179 K185	R177-T181 WeakPolarHBondContact O-CB 3.39Å; R177-T181 PolarHBondContact O-N 3.44Å; R177-T181 PolarHBondContact O-OG1 3.33Å; L178-T181 PolarHBondContact O-N 3.27Å; F179-T181 VanDerWaalsContact C-N 3.26Å; F179-T181 PolarHBondContact O-N 3.2Å; T181-K185 HydrophobicContact CG2-CD 4.24Å; T181-K185 WeakPolarHBondContact O-CG 3.27Å; T181-K185 PolarHBondContact O-N 3.34Å
182	E	96.2	Very high	95.2	Very high	92 Å²	92	52.6 Å²	52.6	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-70.4	-43.1	-179.5	-164.1	58.3	-146.5	0	0	111.2	L178 F179 K184 K185 S186 V191	L178-E182 WeakPolarHBondContact O-CB 3.35Å; L178-E182 PolarHBondContact O-N 2.61Å; F179-E182 PolarHBondContact O-N 3.42Å; E182-K184 PolarHBondContact O-N 3.15Å; E182-K185 PolarHBondContact O-N 2.65Å; E182-S186 WeakPolarHBondContact O-CB 3.33Å; E182-S186 PolarHBondContact O-N 3.02Å; E182-S186 PolarHBondContact O-OG 2.84Å; E182-V191 HydrophobicContact CB-CG1 4.04Å; E182-V191 HydrophobicContact CB-CG2 4.01Å; E182-V191 HydrophobicContact CG-CB 4.44Å; E182-V191 HydrophobicContact CG-CG1 3.9Å; E182-V191 HydrophobicContact CG-CG2 4.06Å
183	A	95.2	Very high	95.1	Very high	6 Å²	6	52.6 Å²	52.6	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-35	176.7	0	0	0	0	0	112.5	F179 S186 S189 V191 F555	F179-A183 WeakPolarHBondContact O-CB 3.16Å; F179-A183 PolarHBondContact O-N 3.02Å; A183-S186 PolarHBondContact O-OG 3.22Å; A183-S189 WeakPolarHBondContact O-CA 3.42Å; A183-S189 PolarHBondContact O-OG 3.03Å; A183-S189 VanDerWaalsContact O-OG 3.1Å; A183-V191 HydrophobicContact CB-CG2 3.87Å; A183-F555 HydrophobicContact CB-CB 4.1Å
184	K	95	Very high	95	Very high	140 Å²	140	50.5 Å²	50.5	61%	0.609	26%	0.264	S	S	*	.	H	α-helix	trans	-73	-27.9	174.9	-75.2	169	-179.7	167	0	113.9	D180 E182	D180-K184 WeakPolarHBondContact O-CB 3.28Å; D180-K184 VanDerWaalsContact O-CD 3.31Å; D180-K184 WeakPolarHBondContact O-CD 3.4Å; D180-K184 WeakPolarHBondContact O-CG 3.48Å; D180-K184 PolarHBondContact O-N 2.75Å; D180-K184 WeakPolarHBondContact OD1-CE 3.26Å; D180-K184 IonicContact OD1-NZ 2.76Å; D180-K184 IonicContact OD2-NZ 3.19Å; D180-K184 PolarHBondContact OD2-NZ 3.38Å; E182-K184 PolarHBondContact O-N 3.15Å
185	K	93.4	Very high	94.9	Very high	158 Å²	158	50.9 Å²	50.9	69%	0.687	27%	0.271	S	S	*	.	H	α-helix	trans	-86.8	-34.8	-179.6	-73.3	175.9	179.7	-178.2	0	112.5	T181 E182	T181-K185 HydrophobicContact CG2-CD 4.24Å; T181-K185 WeakPolarHBondContact O-CG 3.27Å; T181-K185 PolarHBondContact O-N 3.34Å; E182-K185 PolarHBondContact O-N 2.65Å
186	S	90.7	Very high	94.9	Very high	27 Å²	27	51.3 Å²	51.3	19%	0.189	28%	0.275	C	S	.	.	S	Bend	trans	-71.8	147.8	-178.3	64.9	0	0	0	0	112.5	E182 A183 S189 E190	E182-S186 WeakPolarHBondContact O-CB 3.33Å; E182-S186 PolarHBondContact O-N 3.02Å; E182-S186 PolarHBondContact O-OG 2.84Å; A183-S186 PolarHBondContact O-OG 3.22Å; S186-S189 VanDerWaalsContact OG-C 3.29Å; S186-S189 WeakPolarHBondContact OG-CA 3.45Å; S186-E190 WeakPolarHBondContact CB-O 3.4Å; S186-E190 PolarHBondContact OG-N 3.2Å; S186-E190 VanDerWaalsContact OG-N 3.11Å; S186-E190 PolarHBondContact OG-O 2.79Å
187	C	81.9	Confident	94.9	Very high	118 Å²	118	50.4 Å²	50.4	80%	0.797	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-65	136.6	166	-168.1	0	0	0	0	108.9	S189 E190	C187-S189 PolarHBondContact O-N 3.44Å; C187-E190 PolarHBondContact O-N 3.44Å
188	A	87	Confident	94.8	Very high	55 Å²	55	44.9 Å²	44.9	46%	0.455	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	57	18.3	-179.8	0	0	0	0	0	116.2	E190 R554	A188-E190 HydrophobicContact CB-CG 4.31Å; A188-E190 PolarHBondContact O-N 3.1Å; A188-R554 WeakPolarHBondContact O-CG 3.47Å; A188-R554 PolarHBondContact O-NE 3.39Å
189	S	93.8	Very high	94.9	Very high	41 Å²	41	44.3 Å²	44.3	29%	0.287	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	59.5	31	179.9	-59.6	0	0	0	0	114.8	A183 S186 C187 R554 F555	A183-S189 WeakPolarHBondContact O-CA 3.42Å; A183-S189 PolarHBondContact O-OG 3.03Å; A183-S189 VanDerWaalsContact O-OG 3.1Å; S186-S189 VanDerWaalsContact OG-C 3.29Å; S186-S189 WeakPolarHBondContact OG-CA 3.45Å; C187-S189 PolarHBondContact O-N 3.44Å; S189-R554 WeakPolarHBondContact O-CA 3.45Å; S189-F555 WeakPolarHBondContact CB-O 3.35Å; S189-F555 PolarHBondContact O-N 3.49Å
190	E	94.7	Very high	94.9	Very high	60 Å²	60	44.3 Å²	44.3	28%	0.28	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.3	177.5	-64.7	-179	-174.2	0	0	111.6	S186 C187 A188 P531 M552 L553	S186-E190 WeakPolarHBondContact CB-O 3.4Å; S186-E190 PolarHBondContact OG-N 3.2Å; S186-E190 VanDerWaalsContact OG-N 3.11Å; S186-E190 PolarHBondContact OG-O 2.79Å; C187-E190 PolarHBondContact O-N 3.44Å; A188-E190 HydrophobicContact CB-CG 4.31Å; A188-E190 PolarHBondContact O-N 3.1Å; E190-P531 HydrophobicContact CG-CG 4.39Å; E190-M552 HydrophobicContact CB-CE 3.97Å; E190-M552 VanDerWaalsContact O-CE 3.32Å; E190-M552 WeakPolarHBondContact O-CE 3.33Å; E190-L553 CarbonylContact C-O 3.54Å; E190-L553 WeakPolarHBondContact CA-O 2.93Å
191	V	96.5	Very high	95	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.2	-175.4	-179.6	0	0	0	0	110.1	F179 E182 A183 P193 L553 F555	F179-V191 HydrophobicContact CD1-CG1 3.88Å; F179-V191 HydrophobicContact CE1-CG1 4.26Å; E182-V191 HydrophobicContact CB-CG1 4.04Å; E182-V191 HydrophobicContact CB-CG2 4.01Å; E182-V191 HydrophobicContact CG-CB 4.44Å; E182-V191 HydrophobicContact CG-CG1 3.9Å; E182-V191 HydrophobicContact CG-CG2 4.06Å; A183-V191 HydrophobicContact CB-CG2 3.87Å; V191-P193 WeakPolarHBondContact O-CD 3.46Å; V191-L553 PolarHBondContact N-O 2.78Å; V191-L553 PolarHBondContact O-N 2.9Å; V191-F555 HydrophobicContact CB-CD2 3.67Å; V191-F555 HydrophobicContact CB-CE2 3.83Å; V191-F555 HydrophobicContact CG1-CD2 4.48Å; V191-F555 HydrophobicContact CG1-CE2 4.29Å; V191-F555 HydrophobicContact CG2-CD2 4.01Å; V191-F555 HydrophobicContact CG2-CG 4.48Å
192	N	96.1	Very high	95.1	Very high	54 Å²	54	41 Å²	41	29%	0.289	23%	0.226	S	C	.	.			trans	-77.8	115.9	163.5	179.9	-6.7	0	0	0	108.2	L194 P195 M552	N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 2.83Å; N192-L194 WeakPolarHBondContact OD1-CB 3.34Å; N192-L194 PolarHBondContact OD1-N 2.94Å; N192-P195 WeakPolarHBondContact O-CD 3.31Å; N192-M552 HydrophobicContact CB-SD 3.68Å
193	P	97.3	Very high	95.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.1	-22.9	-175.7	27	-33.4	0	0	0	113.6	F179 V191 L197 L383 H551 L553	F179-P193 HydrophobicContact CE1-CB 4.26Å; F179-P193 HydrophobicContact CZ-CB 4.11Å; V191-P193 WeakPolarHBondContact O-CD 3.46Å; P193-L197 HydrophobicContact CB-CD1 4.01Å; P193-L197 WeakPolarHBondContact O-CB 3.39Å; P193-L197 WeakPolarHBondContact O-CD1 3.48Å; P193-L197 VanDerWaalsContact O-CG 3.29Å; P193-L197 WeakPolarHBondContact O-CG 3.38Å; P193-L197 PolarHBondContact O-N 3.02Å; P193-L383 HydrophobicContact CB-CD1 4.01Å; P193-H551 WeakPolarHBondContact CD-O 3.47Å; P193-L553 HydrophobicContact CG-CD1 4.32Å
194	L	96.1	Very high	95.3	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-52	-170.2	173.3	64.5	0	0	0	113.8	N192 A196 L197 H198 L376	N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 2.83Å; N192-L194 WeakPolarHBondContact OD1-CB 3.34Å; N192-L194 PolarHBondContact OD1-N 2.94Å; L194-A196 PolarHBondContact O-N 3.44Å; L194-L197 PolarHBondContact O-N 3.22Å; L194-H198 HydrophobicContact CD1-CB 4.34Å; L194-H198 VanDerWaalsContact O-CB 3.26Å; L194-H198 WeakPolarHBondContact O-CB 3.4Å; L194-H198 PolarHBondContact O-N 2.88Å; L194-L376 HydrophobicContact CD1-CD1 4.15Å; L194-L376 HydrophobicContact CD1-CD2 3.7Å; L194-L376 HydrophobicContact CD1-CG 4.14Å
195	P	96.2	Very high	95.5	Very high	61 Å²	61	30.9 Å²	30.9	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-63.8	-37.6	-172.5	-24.8	36.3	0	0	0	114.1	N192 H199	N192-P195 WeakPolarHBondContact O-CD 3.31Å; P195-H199 WeakPolarHBondContact O-CB 3.26Å; P195-H199 PolarHBondContact O-N 3.45Å
196	A	97.7	Very high	95.7	Very high	10 Å²	10	23.4 Å²	23.4	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-74.3	-41.5	178.5	0	0	0	0	0	111.5	L178 F179 L194 S200	L178-A196 HydrophobicContact CB-CB 3.84Å; L178-A196 HydrophobicContact CD1-CB 4.06Å; F179-A196 HydrophobicContact CD1-CB 3.87Å; F179-A196 HydrophobicContact CE1-CB 3.53Å; F179-A196 HydrophobicContact CZ-CB 4.22Å; L194-A196 PolarHBondContact O-N 3.44Å; A196-S200 WeakPolarHBondContact O-CB 3.5Å; A196-S200 PolarHBondContact O-N 2.83Å; A196-S200 PolarHBondContact O-OG 3.33Å
197	L	98.2	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-48.4	175	-71.7	169.7	0	0	0	111.3	F179 P193 L194 H199 S200 L201 L376 L379 R380 L383 F518 I522	F179-L197 HydrophobicContact CZ-CD2 4.28Å; F179-L197 HydrophobicContact CZ-CG 3.95Å; P193-L197 HydrophobicContact CB-CD1 4.01Å; P193-L197 WeakPolarHBondContact O-CB 3.39Å; P193-L197 WeakPolarHBondContact O-CD1 3.48Å; P193-L197 VanDerWaalsContact O-CG 3.29Å; P193-L197 WeakPolarHBondContact O-CG 3.38Å; P193-L197 PolarHBondContact O-N 3.02Å; L194-L197 PolarHBondContact O-N 3.22Å; L197-H199 PolarHBondContact O-N 3.46Å; L197-S200 PolarHBondContact O-N 2.83Å; L197-L201 WeakPolarHBondContact O-CB 3.33Å; L197-L201 PolarHBondContact O-N 3.05Å; L197-L376 HydrophobicContact CB-CD1 3.34Å; L197-L376 HydrophobicContact CD1-CD1 4.23Å; L197-L376 HydrophobicContact CG-CD1 4.4Å; L197-L379 HydrophobicContact CD1-CB 4.26Å; L197-L379 HydrophobicContact CD2-CB 4.34Å; L197-L379 HydrophobicContact CD2-CD1 4.04Å; L197-R380 HydrophobicContact CD1-CG 3.72Å; L197-L383 HydrophobicContact CD1-CD1 3.96Å; L197-F518 HydrophobicContact CD2-CD1 3.97Å; L197-F518 HydrophobicContact CD2-CE1 4.03Å; L197-I522 HydrophobicContact CD2-CD1 4.33Å
198	H	97.3	Very high	96.9	Very high	10 Å²	10	18 Å²	18	5%	0.046	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-44.5	-176.8	-165.1	175.3	0	0	0	111.3	L194 G202 Q225 Q228 L376	L194-H198 HydrophobicContact CD1-CB 4.34Å; L194-H198 VanDerWaalsContact O-CB 3.26Å; L194-H198 WeakPolarHBondContact O-CB 3.4Å; L194-H198 PolarHBondContact O-N 2.88Å; H198-G202 VanDerWaalsContact O-CA 3.29Å; H198-G202 WeakPolarHBondContact O-CA 3.25Å; H198-G202 PolarHBondContact O-N 2.88Å; H198-Q225 PolarHBondContact CE1-O 3.27Å; H198-Q228 PolarHBondContact NE2-OE1 3.02Å; H198-L376 HydrophobicContact CB-CD1 4.49Å; H198-L376 HydrophobicContact CB-CD2 3.99Å
199	H	98	Very high	97.4	Very high	5 Å²	5	15.7 Å²	15.7	2%	0.023	9%	0.089	C	C	.	.	H	α-helix	trans	-63.1	-55.2	176.3	175.7	58.8	0	0	0	112.6	E174 P195 L197 G202 N203 Y214 R216 W221	E174-H199 IonicContact OE1-CD2 2.77Å; E174-H199 IonicContact OE1-NE2 3.76Å; E174-H199 PolarHBondContact OE1-NE2 3.44Å; E174-H199 IonicContact OE2-CD2 2.69Å; E174-H199 IonicContact OE2-NE2 2.68Å; P195-H199 WeakPolarHBondContact O-CB 3.26Å; P195-H199 PolarHBondContact O-N 3.45Å; L197-H199 PolarHBondContact O-N 3.46Å; H199-G202 PolarHBondContact O-N 3.45Å; H199-N203 PolarHBondContact CE1-ND2 3.2Å; H199-N203 WeakPolarHBondContact O-CB 3.14Å; H199-N203 PolarHBondContact O-N 3.09Å; H199-Y214 PolarHBondContact CE1-O 3.4Å; H199-R216 VanDerWaalsContact CD2-CG 3.48Å; H199-R216 WeakPolarHBondContact CD2-CG 3.44Å; H199-R216 VanDerWaalsContact CE1-CG 3.42Å; H199-R216 WeakPolarHBondContact CE1-CG 3.42Å; H199-R216 WeakPolarHBondContact NE2-CG 3.32Å; H199-W221 AromaticContact ND1-CD1 3.85Å; H199-W221 AromaticContact ND1-NE1 3.15Å; H199-W221 PolarHBondContact ND1-NE1 2.88Å; H199-W221 VanDerWaalsContact ND1-NE1 3.15Å
200	S	98.4	Very high	97.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69.8	-43.6	-172.7	-67.5	0	0	0	0	112.6	G171 C175 A196 L197 N203 I204	G171-S200 VanDerWaalsContact O-CB 3.27Å; G171-S200 WeakPolarHBondContact O-CB 3.44Å; G171-S200 PolarHBondContact O-OG 3.32Å; C175-S200 PolarHBondContact N-OG 3.44Å; A196-S200 WeakPolarHBondContact O-CB 3.5Å; A196-S200 PolarHBondContact O-N 2.83Å; A196-S200 PolarHBondContact O-OG 3.33Å; L197-S200 PolarHBondContact O-N 2.83Å; S200-N203 PolarHBondContact O-N 2.76Å; S200-I204 WeakPolarHBondContact O-CG1 3.31Å; S200-I204 PolarHBondContact O-N 3.3Å
201	L	98.4	Very high	97.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.9	-42.6	173.6	177	62.4	0	0	0	111.2	L197 N203 I204 I205 L376 L379 I514 F518	L197-L201 WeakPolarHBondContact O-CB 3.33Å; L197-L201 PolarHBondContact O-N 3.05Å; L201-N203 VanDerWaalsContact C-N 3.29Å; L201-N203 PolarHBondContact O-N 3.4Å; L201-I204 WeakPolarHBondContact O-CB 3.4Å; L201-I204 PolarHBondContact O-N 2.96Å; L201-I204 VanDerWaalsContact O-N 3.15Å; L201-I205 HydrophobicContact CD1-CG1 4.34Å; L201-I205 WeakPolarHBondContact O-CG1 3.1Å; L201-I205 PolarHBondContact O-N 2.79Å; L201-L376 HydrophobicContact CD2-CB 3.99Å; L201-L379 HydrophobicContact CD2-CD1 4.45Å; L201-I514 HydrophobicContact CD1-CD1 4.32Å; L201-I514 HydrophobicContact CD1-CG2 3.65Å; L201-F518 HydrophobicContact CB-CE2 4.43Å; L201-F518 HydrophobicContact CB-CZ 4.12Å; L201-F518 HydrophobicContact CD1-CE2 4.11Å
202	G	98.2	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-55.7	-44.1	175.7	0	0	0	0	0	112.3	H198 H199 I205 N206	H198-G202 VanDerWaalsContact O-CA 3.29Å; H198-G202 WeakPolarHBondContact O-CA 3.25Å; H198-G202 PolarHBondContact O-N 2.88Å; H199-G202 PolarHBondContact O-N 3.45Å; G202-I205 PolarHBondContact O-N 3.01Å; G202-N206 WeakPolarHBondContact O-CB 3.45Å; G202-N206 VanDerWaalsContact O-CG 3.26Å; G202-N206 PolarHBondContact O-N 3.28Å; G202-N206 PolarHBondContact O-ND2 3.41Å; G202-N206 VanDerWaalsContact O-ND2 3.11Å
203	N	98.4	Very high	97.8	Very high	12 Å²	12	15.9 Å²	15.9	6%	0.064	10%	0.099	C	C	.	.	H	α-helix	trans	-70	-33.6	175.8	-89.2	-14.5	0	0	0	114	H199 S200 L201 I205 N206 D207 T213 Y214	H199-N203 PolarHBondContact CE1-ND2 3.2Å; H199-N203 WeakPolarHBondContact O-CB 3.14Å; H199-N203 PolarHBondContact O-N 3.09Å; S200-N203 PolarHBondContact O-N 2.76Å; L201-N203 VanDerWaalsContact C-N 3.29Å; L201-N203 PolarHBondContact O-N 3.4Å; N203-I205 VanDerWaalsContact C-N 3.32Å; N203-N206 PolarHBondContact O-N 3.49Å; N203-D207 VanDerWaalsContact O-CB 3.26Å; N203-D207 WeakPolarHBondContact O-CB 3.3Å; N203-D207 PolarHBondContact O-N 3.3Å; N203-T213 HydrophobicContact CB-CG2 4.34Å; N203-Y214 PolarHBondContact ND2-O 2.8Å; N203-Y214 PolarHBondContact OD1-N 2.93Å
204	I	98.6	Very high	97.9	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-47.5	170.6	-69.3	162.4	0	0	0	109.7	I168 S200 L201 D207 L208 I514 F518	I168-I204 HydrophobicContact CG1-CG2 4.09Å; I168-I204 HydrophobicContact CG2-CD1 4.26Å; I168-I204 WeakPolarHBondContact O-CD1 3.49Å; S200-I204 WeakPolarHBondContact O-CG1 3.31Å; S200-I204 PolarHBondContact O-N 3.3Å; L201-I204 WeakPolarHBondContact O-CB 3.4Å; L201-I204 PolarHBondContact O-N 2.96Å; L201-I204 VanDerWaalsContact O-N 3.15Å; I204-D207 PolarHBondContact O-N 2.68Å; I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 VanDerWaalsContact O-CG 3.28Å; I204-L208 WeakPolarHBondContact O-CG 3.46Å; I204-L208 PolarHBondContact O-N 2.91Å; I204-L208 VanDerWaalsContact O-N 3.09Å; I204-I514 HydrophobicContact CG2-CD1 4.49Å; I204-F518 HydrophobicContact CD1-CE2 3.59Å; I204-F518 HydrophobicContact CD1-CZ 3.77Å
205	I	98.4	Very high	97.9	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.046	13%	0.132	C	C	.	.	H	α-helix	trans	-70.2	-37.5	179.8	-56.9	-56.4	0	0	0	111.3	L201 G202 N203 D207 L208 V209 F368 V372 I514	L201-I205 HydrophobicContact CD1-CG1 4.34Å; L201-I205 WeakPolarHBondContact O-CG1 3.1Å; L201-I205 PolarHBondContact O-N 2.79Å; G202-I205 PolarHBondContact O-N 3.01Å; N203-I205 VanDerWaalsContact C-N 3.32Å; I205-D207 VanDerWaalsContact C-N 3.32Å; I205-D207 PolarHBondContact O-N 3Å; I205-L208 PolarHBondContact O-N 3.4Å; I205-V209 HydrophobicContact CG2-CG2 3.8Å; I205-V209 VanDerWaalsContact O-CB 3.29Å; I205-V209 WeakPolarHBondContact O-CB 3.26Å; I205-V209 VanDerWaalsContact O-CG2 3.29Å; I205-V209 WeakPolarHBondContact O-CG2 3.32Å; I205-V209 PolarHBondContact O-N 3.15Å; I205-F368 HydrophobicContact CB-CD2 4.36Å; I205-F368 HydrophobicContact CG2-CB 4.43Å; I205-F368 HydrophobicContact CG2-CD2 3.91Å; I205-V372 HydrophobicContact CB-CG2 3.73Å; I205-V372 HydrophobicContact CG1-CG2 3.63Å; I205-V372 HydrophobicContact CG2-CG2 4.12Å; I205-I514 HydrophobicContact CD1-CD1 3.99Å
206	N	98.3	Very high	97.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-40.2	174.8	-75.1	-42.1	0	0	0	112.3	G202 N203 F210 G211 I212 Y214 W221 F368	G202-N206 WeakPolarHBondContact O-CB 3.45Å; G202-N206 VanDerWaalsContact O-CG 3.26Å; G202-N206 PolarHBondContact O-N 3.28Å; G202-N206 PolarHBondContact O-ND2 3.41Å; G202-N206 VanDerWaalsContact O-ND2 3.11Å; N203-N206 PolarHBondContact O-N 3.49Å; N206-F210 HydrophobicContact CB-CD2 4.33Å; N206-F210 CarbonylContact O-C 3.58Å; N206-F210 WeakPolarHBondContact O-CA 3.09Å; N206-F210 WeakPolarHBondContact O-CB 3.36Å; N206-F210 PolarHBondContact O-N 3.37Å; N206-F210 WeakPolarHBondContact OD1-CD2 3.49Å; N206-G211 PolarHBondContact O-N 3.4Å; N206-G211 VanDerWaalsContact O-N 3.09Å; N206-I212 CarbonylContact C-O 3.56Å; N206-I212 WeakPolarHBondContact CB-O 3.3Å; N206-Y214 WeakPolarHBondContact ND2-CD2 3.49Å; N206-W221 WeakPolarHBondContact ND2-CZ3 3.39Å; N206-F368 VanDerWaalsContact OD1-CD2 3.29Å; N206-F368 WeakPolarHBondContact OD1-CD2 3.08Å; N206-F368 WeakPolarHBondContact OD1-CE2 3.31Å
207	D	98.3	Very high	97.8	Very high	27 Å²	27	32.7 Å²	32.7	14%	0.144	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-48.6	175.6	176.4	34.5	0	0	0	110.3	R167 N203 I204 I205 G211 I212 T213	R167-D207 IonicContact CZ-OD1 3.92Å; R167-D207 IonicContact CZ-OD2 3.51Å; R167-D207 IonicContact NE-OD1 2.88Å; R167-D207 IonicContact NE-OD2 3.57Å; R167-D207 PolarHBondContact NE-OD2 2.83Å; R167-D207 VanDerWaalsContact NH2-C 3.27Å; R167-D207 PolarHBondContact NH2-O 2.84Å; R167-D207 IonicContact NH2-OD1 3.1Å; R167-D207 PolarHBondContact NH2-OD1 3.35Å; R167-D207 IonicContact NH2-OD2 3.46Å; R167-D207 PolarHBondContact NH2-OD2 2.89Å; N203-D207 VanDerWaalsContact O-CB 3.26Å; N203-D207 WeakPolarHBondContact O-CB 3.3Å; N203-D207 PolarHBondContact O-N 3.3Å; I204-D207 PolarHBondContact O-N 2.68Å; I205-D207 VanDerWaalsContact C-N 3.32Å; I205-D207 PolarHBondContact O-N 3Å; D207-G211 WeakPolarHBondContact O-CA 3.28Å; D207-G211 PolarHBondContact O-N 2.84Å; D207-I212 PolarHBondContact N-O 3.34Å; D207-I212 VanDerWaalsContact N-O 3.12Å; D207-T213 HydrophobicContact CB-CG2 4.04Å
208	L	98.3	Very high	97.8	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-37.6	-178.8	-65.1	170.2	0	0	0	113.5	L151 L164 I204 I205 C339 I340 M510	L151-L208 HydrophobicContact CD1-CD2 4.38Å; L164-L208 HydrophobicContact CD1-CD1 4.22Å; L164-L208 HydrophobicContact CD1-CD2 3.57Å; I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 VanDerWaalsContact O-CG 3.28Å; I204-L208 WeakPolarHBondContact O-CG 3.46Å; I204-L208 PolarHBondContact O-N 2.91Å; I204-L208 VanDerWaalsContact O-N 3.09Å; I205-L208 PolarHBondContact O-N 3.4Å; L208-C339 WeakPolarHBondContact O-CA 3.24Å; L208-C339 WeakPolarHBondContact O-CB 3.46Å; L208-I340 PolarHBondContact O-N 2.99Å; L208-M510 HydrophobicContact CD1-CE 4.07Å; L208-M510 HydrophobicContact CD1-SD 3.88Å
209	V	98.3	Very high	97.7	Very high	5 Å²	5	39 Å²	39	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-87.8	-50.2	-175.1	176.2	0	0	0	0	111.6	I205 I340 L341 L364 L367	I205-V209 HydrophobicContact CG2-CG2 3.8Å; I205-V209 VanDerWaalsContact O-CB 3.29Å; I205-V209 WeakPolarHBondContact O-CB 3.26Å; I205-V209 VanDerWaalsContact O-CG2 3.29Å; I205-V209 WeakPolarHBondContact O-CG2 3.32Å; I205-V209 PolarHBondContact O-N 3.15Å; V209-I340 HydrophobicContact CG2-CD1 4.39Å; V209-L341 VanDerWaalsContact O-CB 3.29Å; V209-L341 WeakPolarHBondContact O-CB 3.27Å; V209-L341 PolarHBondContact O-N 3.09Å; V209-L364 HydrophobicContact CG1-CB 4.45Å; V209-L364 HydrophobicContact CG1-CD2 3.69Å; V209-L367 HydrophobicContact CG1-CB 4.43Å; V209-L367 HydrophobicContact CG2-CB 3.98Å
210	F	98.1	Very high	97.7	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-107.1	-12.5	-170.9	-57.7	-75.7	0	0	0	113.8	N206 I212 Y271 I274 L341 L364 F368	N206-F210 HydrophobicContact CB-CD2 4.33Å; N206-F210 CarbonylContact O-C 3.58Å; N206-F210 WeakPolarHBondContact O-CA 3.09Å; N206-F210 WeakPolarHBondContact O-CB 3.36Å; N206-F210 PolarHBondContact O-N 3.37Å; N206-F210 WeakPolarHBondContact OD1-CD2 3.49Å; F210-I212 VanDerWaalsContact C-N 3.28Å; F210-I212 HydrophobicContact CB-CD1 4.38Å; F210-I212 HydrophobicContact CB-CG1 3.8Å; F210-I212 PolarHBondContact O-N 2.8Å; F210-Y271 AromaticContact CE1-CD1 3.99Å; F210-Y271 HydrophobicContact CE1-CD1 3.99Å; F210-Y271 HydrophobicContact CE1-CD2 4.5Å; F210-Y271 AromaticContact CE1-CE1 3.84Å; F210-Y271 HydrophobicContact CE1-CE1 3.84Å; F210-Y271 HydrophobicContact CE1-CE2 4.36Å; F210-Y271 HydrophobicContact CE1-CG 4.32Å; F210-Y271 HydrophobicContact CE2-CE1 4.39Å; F210-Y271 HydrophobicContact CZ-CD1 4.17Å; F210-Y271 AromaticContact CZ-CE1 3.54Å; F210-Y271 HydrophobicContact CZ-CE1 3.54Å; F210-Y271 HydrophobicContact CZ-CE2 4.13Å; F210-Y271 AromaticContact CZ-CZ 3.52Å; F210-I274 HydrophobicContact CB-CG2 4.04Å; F210-I274 HydrophobicContact CD1-CD1 4.42Å; F210-I274 HydrophobicContact CD1-CG2 3.94Å; F210-I274 HydrophobicContact CG-CG2 4.34Å; F210-L341 HydrophobicContact CD1-CD2 4.5Å; F210-L364 HydrophobicContact CD1-CD1 4.37Å; F210-L364 HydrophobicContact CD1-CD2 4.33Å; F210-L364 HydrophobicContact CE1-CB 3.66Å; F210-L364 HydrophobicContact CE1-CD1 3.91Å; F210-L364 HydrophobicContact CE1-CD2 4.11Å; F210-L364 HydrophobicContact CE1-CG 4.1Å; F210-L364 HydrophobicContact CZ-CB 3.99Å; F210-F368 HydrophobicContact CE2-CB 3.95Å; F210-F368 AromaticContact CE2-CD2 3.98Å; F210-F368 HydrophobicContact CE2-CD2 3.98Å; F210-F368 HydrophobicContact CE2-CG 4.1Å; F210-F368 HydrophobicContact CZ-CB 4.25Å
211	G	97.3	Very high	97.6	Very high	31 Å²	31	40.7 Å²	40.7	32%	0.32	21%	0.213	S	C	.	.	S	Bend	trans	70.3	24.6	-175.6	0	0	0	0	0	113.3	N206 D207 C339	N206-G211 PolarHBondContact O-N 3.4Å; N206-G211 VanDerWaalsContact O-N 3.09Å; D207-G211 WeakPolarHBondContact O-CA 3.28Å; D207-G211 PolarHBondContact O-N 2.84Å; G211-C339 PolarHBondContact N-SG 3.19Å
212	I	97.4	Very high	97.5	Very high	40 Å²	40	45 Å²	45	21%	0.205	24%	0.236	C	C	.	.			trans	-136.5	158	179.5	64.8	171.4	0	0	0	111	N206 D207 F210 Y214 I274	N206-I212 CarbonylContact C-O 3.56Å; N206-I212 WeakPolarHBondContact CB-O 3.3Å; D207-I212 PolarHBondContact N-O 3.34Å; D207-I212 VanDerWaalsContact N-O 3.12Å; F210-I212 VanDerWaalsContact C-N 3.28Å; F210-I212 HydrophobicContact CB-CD1 4.38Å; F210-I212 HydrophobicContact CB-CG1 3.8Å; F210-I212 PolarHBondContact O-N 2.8Å; I212-Y214 HydrophobicContact CD1-CE1 4.4Å; I212-Y214 HydrophobicContact CD1-CE2 3.81Å; I212-Y214 WeakPolarHBondContact CD1-OH 3.44Å; I212-Y214 HydrophobicContact CG1-CE2 4.31Å; I212-I274 HydrophobicContact CD1-CD1 3.92Å; I212-I274 HydrophobicContact CD1-CG1 4.01Å; I212-I274 HydrophobicContact CD1-CG2 4.21Å
213	T	97.6	Very high	97.4	Very high	89 Å²	89	47.6 Å²	47.6	55%	0.546	25%	0.246	S	C	.	.			trans	-130.7	143.6	171	57.5	0	0	0	0	109.4	N203 D207	N203-T213 HydrophobicContact CB-CG2 4.34Å; D207-T213 HydrophobicContact CB-CG2 4.04Å
214	Y	97.8	Very high	97.2	Very high	27 Å²	27	47.4 Å²	47.4	11%	0.106	25%	0.245	C	C	.	.			trans	-98.8	152.1	180	-69.2	-83.7	0	0	0	112.4	H199 N203 N206 I212 D218 D220 W221 I274	H199-Y214 PolarHBondContact CE1-O 3.4Å; N203-Y214 PolarHBondContact ND2-O 2.8Å; N203-Y214 PolarHBondContact OD1-N 2.93Å; N206-Y214 WeakPolarHBondContact ND2-CD2 3.49Å; I212-Y214 HydrophobicContact CD1-CE1 4.4Å; I212-Y214 HydrophobicContact CD1-CE2 3.81Å; I212-Y214 WeakPolarHBondContact CD1-OH 3.44Å; I212-Y214 HydrophobicContact CG1-CE2 4.31Å; Y214-D218 HydrophobicContact CD1-CB 4.17Å; Y214-D220 HydrophobicContact CE1-CB 4.45Å; Y214-W221 VanDerWaalsContact CB-CG 3.47Å; Y214-W221 HydrophobicContact CD1-CB 3.9Å; Y214-W221 HydrophobicContact CD2-CB 4.27Å; Y214-W221 HydrophobicContact CD2-CD2 4.03Å; Y214-W221 AromaticContact CD2-CE3 3.67Å; Y214-W221 HydrophobicContact CD2-CE3 3.67Å; Y214-W221 HydrophobicContact CD2-CG 4.28Å; Y214-W221 HydrophobicContact CD2-CZ3 4.48Å; Y214-W221 HydrophobicContact CE2-CE3 4.17Å; Y214-W221 HydrophobicContact CG-CB 3.65Å; Y214-W221 HydrophobicContact CG-CD2 4.16Å; Y214-W221 HydrophobicContact CG-CE3 4.22Å; Y214-W221 AromaticContact CG-CG 3.92Å; Y214-W221 HydrophobicContact CG-CG 3.92Å; Y214-I274 WeakPolarHBondContact OH-CD1 3.12Å
215	K	97.6	Very high	97	Very high	158 Å²	158	48.3 Å²	48.3	69%	0.687	25%	0.25	S	C	*	.			trans	-73.5	157	164.3	-63.3	-179.2	-178.8	175.9	0	109.9	D217 D218	K215-D217 VanDerWaalsContact C-N 3.28Å; K215-D217 WeakPolarHBondContact CB-OD1 3.2Å; K215-D217 PolarHBondContact O-N 2.88Å; K215-D218 HydrophobicContact CB-CB 4.43Å; K215-D218 VanDerWaalsContact O-CB 3.27Å; K215-D218 WeakPolarHBondContact O-CB 3.29Å; K215-D218 PolarHBondContact O-N 2.91Å
216	R	95.4	Very high	96.7	Very high	135 Å²	135	55.3 Å²	55.3	51%	0.509	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.8	-178	-73.4	-172.5	67.4	-136.8	-0.3	114	H199 L222	H199-R216 VanDerWaalsContact CD2-CG 3.48Å; H199-R216 WeakPolarHBondContact CD2-CG 3.44Å; H199-R216 VanDerWaalsContact CE1-CG 3.42Å; H199-R216 WeakPolarHBondContact CE1-CG 3.42Å; H199-R216 WeakPolarHBondContact NE2-CG 3.32Å; R216-L222 WeakPolarHBondContact O-CD2 3.44Å
217	D	95.4	Very high	96.4	Very high	125 Å²	125	56.5 Å²	56.5	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	4.1	-178.5	60.9	-32.1	0	0	0	112.9	K215	K215-D217 VanDerWaalsContact C-N 3.28Å; K215-D217 WeakPolarHBondContact CB-OD1 3.2Å; K215-D217 PolarHBondContact O-N 2.88Å
218	D	97.5	Very high	95.9	Very high	45 Å²	45	56 Å²	56	24%	0.241	28%	0.278	C	S	.	.			trans	-63	126.1	178	-177.5	-73.1	0	0	0	110.6	Y214 K215 D220 W221 L222	Y214-D218 HydrophobicContact CD1-CB 4.17Å; K215-D218 HydrophobicContact CB-CB 4.43Å; K215-D218 VanDerWaalsContact O-CB 3.27Å; K215-D218 WeakPolarHBondContact O-CB 3.29Å; K215-D218 PolarHBondContact O-N 2.91Å; D218-D220 PolarHBondContact O-N 3.11Å; D218-D220 WeakPolarHBondContact OD1-CA 3.21Å; D218-D220 WeakPolarHBondContact OD1-CB 3.41Å; D218-D220 PolarHBondContact OD1-N 3.12Å; D218-W221 HydrophobicContact CB-CB 3.81Å; D218-W221 PolarHBondContact O-N 3.2Å; D218-W221 PolarHBondContact OD1-N 3.05Å; D218-L222 WeakPolarHBondContact O-CG 3.5Å; D218-L222 PolarHBondContact O-N 2.83Å
219	P	97	Very high	95.4	Very high	97 Å²	97	59.1 Å²	59.1	63%	0.63	29%	0.293	S	S	*	.	H	α-helix	trans	-68.3	-33.7	-174.1	26.3	-34.5	0	0	0	113.3	Y223	P219-Y223 WeakPolarHBondContact O-CB 3.09Å; P219-Y223 PolarHBondContact O-N 3.48Å; P219-Y223 VanDerWaalsContact O-N 3.08Å
220	D	96	Very high	94.8	Very high	40 Å²	40	62.1 Å²	62.1	21%	0.214	31%	0.306	C	S	.	.	H	α-helix	trans	-69.8	-39.7	175.4	-77.5	-23.5	0	0	0	109.4	Y214 D218 Y223 L224 R273	Y214-D220 HydrophobicContact CE1-CB 4.45Å; D218-D220 PolarHBondContact O-N 3.11Å; D218-D220 WeakPolarHBondContact OD1-CA 3.21Å; D218-D220 WeakPolarHBondContact OD1-CB 3.41Å; D218-D220 PolarHBondContact OD1-N 3.12Å; D220-Y223 WeakPolarHBondContact O-CB 3.49Å; D220-Y223 PolarHBondContact O-N 3.45Å; D220-L224 WeakPolarHBondContact O-CG 3.42Å; D220-L224 PolarHBondContact O-N 3.33Å; D220-R273 IonicContact OD1-NH2 3.51Å; D220-R273 PolarHBondContact OD1-NH2 3.5Å; D220-R273 IonicContact OD2-CZ 3.4Å; D220-R273 IonicContact OD2-NH1 2.71Å; D220-R273 PolarHBondContact OD2-NH1 2.79Å; D220-R273 IonicContact OD2-NH2 2.68Å; D220-R273 PolarHBondContact OD2-NH2 3.43Å
221	W	96.8	Very high	94.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-44.7	176.7	-175.8	-127.8	0	0	0	113.7	H199 N206 Y214 D218 Y223 L224 Q225 F368	H199-W221 AromaticContact ND1-CD1 3.85Å; H199-W221 AromaticContact ND1-NE1 3.15Å; H199-W221 PolarHBondContact ND1-NE1 2.88Å; H199-W221 VanDerWaalsContact ND1-NE1 3.15Å; N206-W221 WeakPolarHBondContact ND2-CZ3 3.39Å; Y214-W221 VanDerWaalsContact CB-CG 3.47Å; Y214-W221 HydrophobicContact CD1-CB 3.9Å; Y214-W221 HydrophobicContact CD2-CB 4.27Å; Y214-W221 HydrophobicContact CD2-CD2 4.03Å; Y214-W221 AromaticContact CD2-CE3 3.67Å; Y214-W221 HydrophobicContact CD2-CE3 3.67Å; Y214-W221 HydrophobicContact CD2-CG 4.28Å; Y214-W221 HydrophobicContact CD2-CZ3 4.48Å; Y214-W221 HydrophobicContact CE2-CE3 4.17Å; Y214-W221 HydrophobicContact CG-CB 3.65Å; Y214-W221 HydrophobicContact CG-CD2 4.16Å; Y214-W221 HydrophobicContact CG-CE3 4.22Å; Y214-W221 AromaticContact CG-CG 3.92Å; Y214-W221 HydrophobicContact CG-CG 3.92Å; D218-W221 HydrophobicContact CB-CB 3.81Å; D218-W221 PolarHBondContact O-N 3.2Å; D218-W221 PolarHBondContact OD1-N 3.05Å; W221-Y223 VanDerWaalsContact C-N 3.25Å; W221-Y223 PolarHBondContact O-N 2.89Å; W221-L224 HydrophobicContact CE3-CB 4.32Å; W221-L224 HydrophobicContact CE3-CD1 4.43Å; W221-L224 HydrophobicContact CZ3-CB 4.43Å; W221-L224 PolarHBondContact O-N 3.41Å; W221-Q225 HydrophobicContact CD2-CG 4.07Å; W221-Q225 HydrophobicContact CE3-CG 4.38Å; W221-Q225 HydrophobicContact CH2-CG 3.81Å; W221-Q225 HydrophobicContact CZ2-CG 3.48Å; W221-Q225 VanDerWaalsContact CZ2-CG 3.48Å; W221-Q225 HydrophobicContact CZ3-CG 4.25Å; W221-Q225 VanDerWaalsContact NE1-CD 3.29Å; W221-Q225 WeakPolarHBondContact O-CG 3.38Å; W221-Q225 PolarHBondContact O-N 3.13Å; W221-Q225 PolarHBondContact O-NE2 2.99Å; W221-F368 HydrophobicContact CH2-CE2 4.1Å; W221-F368 AromaticContact CH2-CZ 3.77Å; W221-F368 HydrophobicContact CH2-CZ 3.77Å; W221-F368 AromaticContact CZ3-CE2 3.96Å; W221-F368 HydrophobicContact CZ3-CE2 3.96Å; W221-F368 AromaticContact CZ3-CZ 3.61Å; W221-F368 HydrophobicContact CZ3-CZ 3.61Å
222	L	96.3	Very high	93.1	Very high	91 Å²	91	62 Å²	62	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-37.6	174.9	-70.4	172.2	0	0	0	111.2	R216 D218 R226	R216-L222 WeakPolarHBondContact O-CD2 3.44Å; D218-L222 WeakPolarHBondContact O-CG 3.5Å; D218-L222 PolarHBondContact O-N 2.83Å; L222-R226 WeakPolarHBondContact O-CB 3.34Å; L222-R226 PolarHBondContact O-N 2.91Å; L222-R226 VanDerWaalsContact O-N 3.13Å
223	Y	95.6	Very high	92.3	Very high	54 Å²	54	63.6 Å²	63.6	21%	0.212	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-47.6	174.7	175.9	-99	0	0	0	112.3	P219 D220 W221 R226 L227 K266 I270	P219-Y223 WeakPolarHBondContact O-CB 3.09Å; P219-Y223 PolarHBondContact O-N 3.48Å; P219-Y223 VanDerWaalsContact O-N 3.08Å; D220-Y223 WeakPolarHBondContact O-CB 3.49Å; D220-Y223 PolarHBondContact O-N 3.45Å; W221-Y223 VanDerWaalsContact C-N 3.25Å; W221-Y223 PolarHBondContact O-N 2.89Å; Y223-R226 PolarHBondContact O-N 3.33Å; Y223-L227 HydrophobicContact CE1-CD2 4.06Å; Y223-L227 WeakPolarHBondContact O-CB 3.47Å; Y223-L227 PolarHBondContact O-N 2.9Å; Y223-K266 HydrophobicContact CD1-CD 4.19Å; Y223-K266 HydrophobicContact CD1-CG 4.38Å; Y223-K266 HydrophobicContact CD2-CD 4.38Å; Y223-K266 HydrophobicContact CE1-CB 4.14Å; Y223-K266 HydrophobicContact CE1-CD 3.59Å; Y223-K266 HydrophobicContact CE1-CG 3.63Å; Y223-K266 HydrophobicContact CE2-CD 3.81Å; Y223-I270 HydrophobicContact CD1-CD1 3.79Å; Y223-I270 HydrophobicContact CE1-CD1 4.15Å
224	L	95	Very high	91.3	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-43.7	179.7	-71.7	173.3	0	0	0	112	D220 W221 R226 L227 Q228 T267 I270	D220-L224 WeakPolarHBondContact O-CG 3.42Å; D220-L224 PolarHBondContact O-N 3.33Å; W221-L224 HydrophobicContact CE3-CB 4.32Å; W221-L224 HydrophobicContact CE3-CD1 4.43Å; W221-L224 HydrophobicContact CZ3-CB 4.43Å; W221-L224 PolarHBondContact O-N 3.41Å; L224-R226 PolarHBondContact O-N 3.42Å; L224-L227 PolarHBondContact O-N 2.89Å; L224-Q228 VanDerWaalsContact O-CB 3.31Å; L224-Q228 WeakPolarHBondContact O-CB 3.45Å; L224-Q228 PolarHBondContact O-N 2.77Å; L224-T267 HydrophobicContact CD2-CG2 4.26Å; L224-I270 HydrophobicContact CD1-CG2 4.36Å; L224-I270 HydrophobicContact CD2-CD1 4.07Å; L224-I270 HydrophobicContact CG-CD1 4.3Å
225	Q	94	Very high	90.2	Very high	24 Å²	24	61.6 Å²	61.6	11%	0.112	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-46.3	175.6	-74.9	175.2	102.8	0	0	111.8	H198 W221 Q228 E229	H198-Q225 PolarHBondContact CE1-O 3.27Å; W221-Q225 HydrophobicContact CD2-CG 4.07Å; W221-Q225 HydrophobicContact CE3-CG 4.38Å; W221-Q225 HydrophobicContact CH2-CG 3.81Å; W221-Q225 HydrophobicContact CZ2-CG 3.48Å; W221-Q225 VanDerWaalsContact CZ2-CG 3.48Å; W221-Q225 HydrophobicContact CZ3-CG 4.25Å; W221-Q225 VanDerWaalsContact NE1-CD 3.29Å; W221-Q225 WeakPolarHBondContact O-CG 3.38Å; W221-Q225 PolarHBondContact O-N 3.13Å; W221-Q225 PolarHBondContact O-NE2 2.99Å; Q225-Q228 WeakPolarHBondContact O-CB 3.43Å; Q225-Q228 PolarHBondContact O-N 3.36Å; Q225-E229 PolarHBondContact O-N 3.01Å
226	R	92.5	Very high	88.8	Confident	156 Å²	156	55.4 Å²	55.4	59%	0.589	28%	0.275	S	S	*	.	H	α-helix	trans	-63.6	-45	178.2	-178.3	179.5	177.8	-174.6	-1.8	111.8	L222 Y223 L224 Q228 E229 E230	L222-R226 WeakPolarHBondContact O-CB 3.34Å; L222-R226 PolarHBondContact O-N 2.91Å; L222-R226 VanDerWaalsContact O-N 3.13Å; Y223-R226 PolarHBondContact O-N 3.33Å; L224-R226 PolarHBondContact O-N 3.42Å; R226-Q228 VanDerWaalsContact C-N 3.28Å; R226-Q228 PolarHBondContact O-N 3.08Å; R226-E229 PolarHBondContact O-N 3.05Å; R226-E230 HydrophobicContact CG-CG 4.33Å; R226-E230 IonicContact CZ-OE1 3.56Å; R226-E230 IonicContact NE-OE1 3.49Å; R226-E230 PolarHBondContact NE-OE1 3.25Å; R226-E230 IonicContact NE-OE2 2.72Å; R226-E230 IonicContact NH2-OE1 3.82Å; R226-E230 PolarHBondContact NH2-OE1 3.04Å; R226-E230 IonicContact NH2-OE2 2.81Å; R226-E230 WeakPolarHBondContact O-CB 3.24Å; R226-E230 PolarHBondContact O-N 3.07Å
227	L	91.4	Very high	87.1	Confident	25 Å²	25	53.8 Å²	53.8	13%	0.131	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-39.2	178.8	178.9	63.8	0	0	0	111.3	Y223 L224 G231 F259 T267	Y223-L227 HydrophobicContact CE1-CD2 4.06Å; Y223-L227 WeakPolarHBondContact O-CB 3.47Å; Y223-L227 PolarHBondContact O-N 2.9Å; L224-L227 PolarHBondContact O-N 2.89Å; L227-G231 VanDerWaalsContact O-CA 3.22Å; L227-G231 WeakPolarHBondContact O-CA 3.47Å; L227-G231 PolarHBondContact O-N 2.94Å; L227-F259 HydrophobicContact CD1-CE1 3.76Å; L227-F259 HydrophobicContact CD1-CZ 3.76Å; L227-T267 WeakPolarHBondContact CD2-OG1 3.46Å
228	Q	89.3	Confident	85.8	Confident	16 Å²	16	48 Å²	48	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-52.9	174.7	175.1	167.1	42.7	0	0	111.4	H198 L224 Q225 R226 E230 G231 V232 D373	H198-Q228 PolarHBondContact NE2-OE1 3.02Å; L224-Q228 VanDerWaalsContact O-CB 3.31Å; L224-Q228 WeakPolarHBondContact O-CB 3.45Å; L224-Q228 PolarHBondContact O-N 2.77Å; Q225-Q228 WeakPolarHBondContact O-CB 3.43Å; Q225-Q228 PolarHBondContact O-N 3.36Å; R226-Q228 VanDerWaalsContact C-N 3.28Å; R226-Q228 PolarHBondContact O-N 3.08Å; Q228-E230 PolarHBondContact O-N 3.09Å; Q228-G231 PolarHBondContact O-N 2.93Å; Q228-V232 WeakPolarHBondContact O-CG2 3.13Å; Q228-V232 PolarHBondContact O-N 3.46Å; Q228-V232 VanDerWaalsContact O-N 3.12Å; Q228-D373 VanDerWaalsContact CD-OD1 3.26Å; Q228-D373 WeakPolarHBondContact CG-OD1 3.43Å; Q228-D373 WeakPolarHBondContact CG-OD2 3.47Å; Q228-D373 PolarHBondContact NE2-OD1 3.12Å; Q228-D373 VanDerWaalsContact NE2-OD1 3.16Å; Q228-D373 PolarHBondContact NE2-OD2 3.1Å
229	E	86.9	Confident	84.8	Confident	72 Å²	72	46.5 Å²	46.5	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-47.4	-178.9	-171.5	-175.7	168.5	0	0	112.3	Q225 R226 K233	Q225-E229 PolarHBondContact O-N 3.01Å; R226-E229 PolarHBondContact O-N 3.05Å; E229-K233 WeakPolarHBondContact O-CG 3.36Å; E229-K233 IonicContact OE1-NZ 2.79Å; E229-K233 PolarHBondContact OE1-NZ 3.5Å
230	E	86.3	Confident	84.1	Confident	69 Å²	69	44.5 Å²	44.5	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-71.6	-39.6	179.9	-70.2	-176.8	-174.3	0	0	111.5	R226 Q228 K233 L234 F259	R226-E230 HydrophobicContact CG-CG 4.33Å; R226-E230 IonicContact CZ-OE1 3.56Å; R226-E230 IonicContact NE-OE1 3.49Å; R226-E230 PolarHBondContact NE-OE1 3.25Å; R226-E230 IonicContact NE-OE2 2.72Å; R226-E230 IonicContact NH2-OE1 3.82Å; R226-E230 PolarHBondContact NH2-OE1 3.04Å; R226-E230 IonicContact NH2-OE2 2.81Å; R226-E230 WeakPolarHBondContact O-CB 3.24Å; R226-E230 PolarHBondContact O-N 3.07Å; Q228-E230 PolarHBondContact O-N 3.09Å; E230-K233 PolarHBondContact O-N 3.42Å; E230-L234 VanDerWaalsContact O-CB 3.23Å; E230-L234 WeakPolarHBondContact O-CB 3.39Å; E230-L234 PolarHBondContact O-N 3.22Å; E230-F259 HydrophobicContact CB-CE1 4.21Å; E230-F259 HydrophobicContact CB-CZ 3.71Å; E230-F259 WeakPolarHBondContact OE2-CE2 3.4Å; E230-F259 VanDerWaalsContact OE2-CZ 3.27Å; E230-F259 WeakPolarHBondContact OE2-CZ 3.34Å
231	G	82.8	Confident	83.7	Confident	9 Å²	9	42.6 Å²	42.6	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-45	-176.6	0	0	0	0	0	113.1	L227 Q228 L234 I235	L227-G231 VanDerWaalsContact O-CA 3.22Å; L227-G231 WeakPolarHBondContact O-CA 3.47Å; L227-G231 PolarHBondContact O-N 2.94Å; Q228-G231 PolarHBondContact O-N 2.93Å; G231-L234 PolarHBondContact O-N 3.11Å; G231-I235 VanDerWaalsContact O-CG1 3.31Å; G231-I235 WeakPolarHBondContact O-CG1 3.32Å; G231-I235 PolarHBondContact O-N 3.07Å
232	V	76.8	Confident	83.2	Confident	22 Å²	22	43.6 Å²	43.6	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-42.5	178.2	172.9	0	0	0	0	111.7	Q228 L234 G236 D373 I544 T545	Q228-V232 WeakPolarHBondContact O-CG2 3.13Å; Q228-V232 PolarHBondContact O-N 3.46Å; Q228-V232 VanDerWaalsContact O-N 3.12Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-G236 PolarHBondContact O-N 3.38Å; V232-D373 VanDerWaalsContact CG2-OD2 3.28Å; V232-D373 WeakPolarHBondContact CG2-OD2 3.47Å; V232-I544 HydrophobicContact CG1-CB 4.2Å; V232-T545 WeakPolarHBondContact CG1-OG1 3.26Å
233	K	79.2	Confident	82.9	Confident	73 Å²	73	40.5 Å²	40.5	32%	0.317	21%	0.208	S	C	.	.	H	α-helix	trans	-62.3	-44.6	174.7	-67.8	177.7	-169.3	177.3	0	110.4	E229 E230 G236 V237 E541	E229-K233 WeakPolarHBondContact O-CG 3.36Å; E229-K233 IonicContact OE1-NZ 2.79Å; E229-K233 PolarHBondContact OE1-NZ 3.5Å; E230-K233 PolarHBondContact O-N 3.42Å; K233-G236 PolarHBondContact O-N 3.31Å; K233-V237 WeakPolarHBondContact O-CG2 3.32Å; K233-V237 PolarHBondContact O-N 3.25Å; K233-E541 IonicContact NZ-OE2 3.07Å
234	L	77.8	Confident	82.7	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.136	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-42	-176.2	-166	64.2	0	0	0	113.4	E230 G231 V232 G236 S238 N256 F259 L260	E230-L234 VanDerWaalsContact O-CB 3.23Å; E230-L234 WeakPolarHBondContact O-CB 3.39Å; E230-L234 PolarHBondContact O-N 3.22Å; G231-L234 PolarHBondContact O-N 3.11Å; V232-L234 VanDerWaalsContact C-N 3.34Å; L234-G236 VanDerWaalsContact C-N 3.29Å; L234-G236 PolarHBondContact O-N 2.98Å; L234-S238 WeakPolarHBondContact O-CB 3.36Å; L234-S238 PolarHBondContact O-N 3.05Å; L234-S238 PolarHBondContact O-OG 3.4Å; L234-N256 HydrophobicContact CD1-CB 3.61Å; L234-N256 WeakPolarHBondContact CD1-ND2 3.34Å; L234-N256 HydrophobicContact CD2-CB 4.02Å; L234-N256 WeakPolarHBondContact CD2-O 3.42Å; L234-N256 HydrophobicContact CG-CB 4.04Å; L234-F259 HydrophobicContact CD2-CB 4.1Å; L234-F259 HydrophobicContact CD2-CD1 3.35Å; L234-F259 HydrophobicContact CD2-CE1 4.07Å; L234-F259 HydrophobicContact CD2-CG 4.01Å; L234-L260 HydrophobicContact CD2-CD1 4.49Å; L234-L260 HydrophobicContact CD2-CD2 3.94Å; L234-L260 HydrophobicContact CD2-CG 3.86Å
235	I	74.9	Confident	82.4	Confident	47 Å²	47	41 Å²	41	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-40.1	177.5	-67.8	165.7	0	0	0	110.2	L119 M124 G231 G239 L260 I544	L119-I235 HydrophobicContact CD1-CG2 4.34Å; M124-I235 HydrophobicContact CE-CD1 4.45Å; G231-I235 VanDerWaalsContact O-CG1 3.31Å; G231-I235 WeakPolarHBondContact O-CG1 3.32Å; G231-I235 PolarHBondContact O-N 3.07Å; I235-G239 PolarHBondContact O-N 3.43Å; I235-L260 HydrophobicContact CD1-CD2 4.44Å; I235-L260 HydrophobicContact CG1-CD1 4.38Å; I235-L260 HydrophobicContact CG1-CD2 3.93Å; I235-I544 HydrophobicContact CB-CD1 3.8Å; I235-I544 HydrophobicContact CB-CG1 4.06Å; I235-I544 HydrophobicContact CD1-CD1 4.06Å; I235-I544 HydrophobicContact CG2-CD1 3.51Å; I235-I544 HydrophobicContact CG2-CG1 3.78Å
236	G	68.5	Low	82.2	Confident	29 Å²	29	45.7 Å²	45.7	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-63.5	-55.6	175.2	0	0	0	0	0	112.7	V232 K233 L234 S238 G239	V232-G236 PolarHBondContact O-N 3.38Å; K233-G236 PolarHBondContact O-N 3.31Å; L234-G236 VanDerWaalsContact C-N 3.29Å; L234-G236 PolarHBondContact O-N 2.98Å; G236-S238 VanDerWaalsContact C-N 3.34Å; G236-S238 PolarHBondContact O-N 3.48Å; G236-G239 PolarHBondContact O-N 2.9Å; G236-G239 VanDerWaalsContact O-N 3.12Å
237	V	58.6	Low	82.1	Confident	100 Å²	100	39.9 Å²	39.9	61%	0.606	22%	0.216	S	C	*	.	H	α-helix	trans	-67.8	-33.7	-176.3	177	0	0	0	0	112.3	K233 G239	K233-V237 WeakPolarHBondContact O-CG2 3.32Å; K233-V237 PolarHBondContact O-N 3.25Å; V237-G239 PolarHBondContact O-N 3.01Å
238	S	67.5	Low	82.1	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.028	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	2.6	177.3	-52.5	0	0	0	0	112.7	L234 G236 V240 V241 N256	L234-S238 WeakPolarHBondContact O-CB 3.36Å; L234-S238 PolarHBondContact O-N 3.05Å; L234-S238 PolarHBondContact O-OG 3.4Å; G236-S238 VanDerWaalsContact C-N 3.34Å; G236-S238 PolarHBondContact O-N 3.48Å; S238-V240 PolarHBondContact O-N 3.38Å; S238-V241 WeakPolarHBondContact O-CG2 3.18Å; S238-V241 PolarHBondContact O-N 2.96Å; S238-N256 PolarHBondContact OG-ND2 3.09Å
239	G	77	Confident	82.2	Confident	14 Å²	14	48 Å²	48	14%	0.144	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.8	-175.9	0	0	0	0	0	114.4	I235 G236 V237 V241 N242 F243	I235-G239 PolarHBondContact O-N 3.43Å; G236-G239 PolarHBondContact O-N 2.9Å; G236-G239 VanDerWaalsContact O-N 3.12Å; V237-G239 PolarHBondContact O-N 3.01Å; G239-V241 PolarHBondContact O-N 3.45Å; G239-N242 VanDerWaalsContact O-CB 3.23Å; G239-N242 WeakPolarHBondContact O-CB 3.19Å; G239-N242 PolarHBondContact O-N 2.89Å; G239-N242 VanDerWaalsContact O-N 3.07Å; G239-N242 PolarHBondContact O-ND2 3.48Å; G239-F243 WeakPolarHBondContact O-CD2 3.48Å; G239-F243 WeakPolarHBondContact O-CE2 3.34Å
240	V	82.7	Confident	82.5	Confident	54 Å²	54	48.7 Å²	48.7	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-27.2	177.6	-64.5	0	0	0	0	114	S238 N242 F243 L244 L247	S238-V240 PolarHBondContact O-N 3.38Å; V240-N242 PolarHBondContact O-N 2.83Å; V240-F243 PolarHBondContact O-N 2.93Å; V240-F243 VanDerWaalsContact O-N 3.09Å; V240-L244 PolarHBondContact O-N 3.24Å; V240-L247 HydrophobicContact CB-CD1 4.29Å; V240-L247 HydrophobicContact CG2-CD1 4.06Å
241	V	87.4	Confident	82.7	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-71.5	-16.2	178.7	-48.7	0	0	0	0	112.8	Y118 L119 S238 G239 F243 L247 R248 N253	Y118-V241 HydrophobicContact CD1-CG2 4.4Å; L119-V241 HydrophobicContact CD1-CG2 4.36Å; L119-V241 HydrophobicContact CD2-CG2 3.96Å; L119-V241 HydrophobicContact CG-CG2 4.1Å; S238-V241 WeakPolarHBondContact O-CG2 3.18Å; S238-V241 PolarHBondContact O-N 2.96Å; G239-V241 PolarHBondContact O-N 3.45Å; V241-F243 VanDerWaalsContact C-N 3.31Å; V241-L247 HydrophobicContact CG1-CB 4.46Å; V241-R248 HydrophobicContact CB-CG 3.96Å; V241-R248 PolarHBondContact O-NE 2.95Å; V241-R248 PolarHBondContact O-NH2 2.69Å; V241-N253 HydrophobicContact CG1-CB 4.12Å
242	N	86.8	Confident	82.9	Confident	21 Å²	21	53 Å²	53	11%	0.112	29%	0.293	C	S	.	.	H	α-helix	trans	-67.8	-35.5	170.5	-66.8	-46.6	0	0	0	111.1	L117 Y118 L119 G239 V240	L117-N242 HydrophobicContact CB-CB 4.15Å; L117-N242 HydrophobicContact CD2-CB 4.18Å; Y118-N242 PolarHBondContact N-OD1 3.26Å; L119-N242 WeakPolarHBondContact CG-OD1 3.05Å; L119-N242 PolarHBondContact N-OD1 2.98Å; G239-N242 VanDerWaalsContact O-CB 3.23Å; G239-N242 WeakPolarHBondContact O-CB 3.19Å; G239-N242 PolarHBondContact O-N 2.89Å; G239-N242 VanDerWaalsContact O-N 3.07Å; G239-N242 PolarHBondContact O-ND2 3.48Å; V240-N242 PolarHBondContact O-N 2.83Å
243	F	89.6	Confident	83.5	Confident	25 Å²	25	53 Å²	53	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-98.3	-28.1	-171.6	-52.5	-61.9	0	0	0	113.5	L61 M88 V91 L117 G239 V240 V241 M456	L61-F243 HydrophobicContact CD1-CB 3.74Å; L61-F243 HydrophobicContact CD1-CD2 4.48Å; L61-F243 HydrophobicContact CD1-CG 4.41Å; L61-F243 HydrophobicContact CD2-CD2 3.94Å; L61-F243 HydrophobicContact CD2-CG 4.46Å; M88-F243 HydrophobicContact CB-CB 4.41Å; M88-F243 HydrophobicContact CB-CD1 3.54Å; M88-F243 HydrophobicContact CB-CD2 4.21Å; M88-F243 HydrophobicContact CB-CE1 3.78Å; M88-F243 HydrophobicContact CB-CE2 4.42Å; M88-F243 HydrophobicContact CB-CG 3.79Å; M88-F243 HydrophobicContact CB-CZ 4.22Å; M88-F243 HydrophobicContact SD-CE1 3.96Å; M88-F243 HydrophobicContact SD-CE2 3.87Å; M88-F243 HydrophobicContact SD-CZ 3.57Å; M88-F243 VanDerWaalsContact SD-CZ 3.57Å; V91-F243 HydrophobicContact CB-CD1 4.09Å; V91-F243 HydrophobicContact CB-CE1 4.46Å; V91-F243 HydrophobicContact CG2-CD1 3.96Å; L117-F243 HydrophobicContact CD2-CE1 4.23Å; G239-F243 WeakPolarHBondContact O-CD2 3.48Å; G239-F243 WeakPolarHBondContact O-CE2 3.34Å; V240-F243 PolarHBondContact O-N 2.93Å; V240-F243 VanDerWaalsContact O-N 3.09Å; V241-F243 VanDerWaalsContact C-N 3.31Å; F243-M456 HydrophobicContact CE1-CE 3.69Å; F243-M456 HydrophobicContact CE1-SD 4.17Å; F243-M456 HydrophobicContact CZ-CE 3.82Å; F243-M456 HydrophobicContact CZ-SD 4.4Å
244	L	91.1	Very high	84.1	Confident	13 Å²	13	52 Å²	52	7%	0.068	29%	0.292	C	S	.	.			trans	-123.7	88.6	-176.7	-55.5	178.3	0	0	0	110.1	L58 L61 V240 W246 L247	L58-L244 HydrophobicContact CD2-CD1 3.96Å; L58-L244 HydrophobicContact CD2-CD2 4.04Å; L61-L244 HydrophobicContact CD1-CD1 3.82Å; L61-L244 HydrophobicContact CD1-CD2 3.95Å; L61-L244 HydrophobicContact CD1-CG 3.74Å; V240-L244 PolarHBondContact O-N 3.24Å; L244-W246 VanDerWaalsContact C-N 3.28Å; L244-W246 HydrophobicContact CB-CZ2 4.08Å; L244-W246 HydrophobicContact CD1-CZ2 4.33Å; L244-W246 HydrophobicContact CD2-CH2 3.66Å; L244-W246 HydrophobicContact CD2-CZ2 3.65Å; L244-W246 HydrophobicContact CD2-CZ3 4.5Å; L244-W246 HydrophobicContact CG-CZ2 4.22Å; L244-W246 PolarHBondContact O-N 3.38Å; L244-L247 HydrophobicContact CB-CD1 3.77Å; L244-L247 HydrophobicContact CB-CG 3.81Å; L244-L247 HydrophobicContact CD1-CD1 3.72Å; L244-L247 HydrophobicContact CD1-CG 4.37Å; L244-L247 HydrophobicContact CG-CD1 4.33Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 3.46Å
245	P	89.5	Confident	84.7	Confident	62 Å²	62	59.1 Å²	59.1	40%	0.403	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-57.7	-34.5	-172.2	-27.8	35.4	0	0	0	114.8	L247 R248	P245-L247 PolarHBondContact O-N 3.27Å; P245-R248 VanDerWaalsContact O-CB 3.24Å; P245-R248 WeakPolarHBondContact O-CB 3.36Å; P245-R248 WeakPolarHBondContact O-CD 3.46Å; P245-R248 WeakPolarHBondContact O-CG 3.36Å; P245-R248 PolarHBondContact O-N 2.93Å
246	W	90.2	Very high	85.4	Confident	122 Å²	122	58 Å²	58	46%	0.462	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-63.3	-24.5	179.4	60	80.6	0	0	0	113	F57 L58 L244 R248 H249	F57-W246 HydrophobicContact CB-CH2 4.41Å; L58-W246 HydrophobicContact CD2-CZ2 3.94Å; L244-W246 VanDerWaalsContact C-N 3.28Å; L244-W246 HydrophobicContact CB-CZ2 4.08Å; L244-W246 HydrophobicContact CD1-CZ2 4.33Å; L244-W246 HydrophobicContact CD2-CH2 3.66Å; L244-W246 HydrophobicContact CD2-CZ2 3.65Å; L244-W246 HydrophobicContact CD2-CZ3 4.5Å; L244-W246 HydrophobicContact CG-CZ2 4.22Å; L244-W246 PolarHBondContact O-N 3.38Å; W246-R248 PolarHBondContact O-N 3.32Å; W246-H249 PolarHBondContact O-N 3.22Å
247	L	90.3	Very high	86.4	Confident	34 Å²	34	57.5 Å²	57.5	18%	0.178	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-66.7	-21.4	176.4	-64.6	-174.2	0	0	0	112.5	V240 V241 L244 P245 H249 L250 N253	V240-L247 HydrophobicContact CB-CD1 4.29Å; V240-L247 HydrophobicContact CG2-CD1 4.06Å; V241-L247 HydrophobicContact CG1-CB 4.46Å; L244-L247 HydrophobicContact CB-CD1 3.77Å; L244-L247 HydrophobicContact CB-CG 3.81Å; L244-L247 HydrophobicContact CD1-CD1 3.72Å; L244-L247 HydrophobicContact CD1-CG 4.37Å; L244-L247 HydrophobicContact CG-CD1 4.33Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 3.46Å; P245-L247 PolarHBondContact O-N 3.27Å; L247-H249 PolarHBondContact O-N 2.86Å; L247-H249 VanDerWaalsContact O-N 3.14Å; L247-L250 HydrophobicContact CB-CD1 4.5Å; L247-L250 HydrophobicContact CD2-CD1 3.55Å; L247-L250 HydrophobicContact CD2-CG 4.46Å; L247-L250 WeakPolarHBondContact O-CB 3.35Å; L247-L250 PolarHBondContact O-N 3.5Å; L247-L250 VanDerWaalsContact O-N 3.11Å; L247-N253 VanDerWaalsContact O-CB 3.27Å; L247-N253 WeakPolarHBondContact O-CB 3.12Å; L247-N253 PolarHBondContact O-ND2 3.39Å
248	R	91	Very high	88	Confident	58 Å²	58	59.2 Å²	59.2	22%	0.219	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-60.7	-23.3	179.5	-62.7	170.5	-166.6	167.6	5.5	112.8	Y118 V241 P245 W246 V254 I257	Y118-R248 HydrophobicContact CE1-CG 4.35Å; V241-R248 HydrophobicContact CB-CG 3.96Å; V241-R248 PolarHBondContact O-NE 2.95Å; V241-R248 PolarHBondContact O-NH2 2.69Å; P245-R248 VanDerWaalsContact O-CB 3.24Å; P245-R248 WeakPolarHBondContact O-CB 3.36Å; P245-R248 WeakPolarHBondContact O-CD 3.46Å; P245-R248 WeakPolarHBondContact O-CG 3.36Å; P245-R248 PolarHBondContact O-N 2.93Å; W246-R248 PolarHBondContact O-N 3.32Å; R248-V254 VanDerWaalsContact O-CG2 3.23Å; R248-V254 WeakPolarHBondContact O-CG2 3.32Å; R248-I257 HydrophobicContact CB-CD1 3.98Å; R248-I257 HydrophobicContact CG-CD1 4.2Å
249	H	91.8	Very high	89.1	Confident	153 Å²	153	61.9 Å²	61.9	71%	0.708	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-91.6	-4.9	-178.3	-54	-67.1	0	0	0	113.5	W246 L247	W246-H249 PolarHBondContact O-N 3.22Å; L247-H249 PolarHBondContact O-N 2.86Å; L247-H249 VanDerWaalsContact O-N 3.14Å
250	L	91.6	Very high	89.7	Confident	86 Å²	86	61.6 Å²	61.6	45%	0.45	30%	0.304	S	S	.	.	S	Bend	trans	-72.2	141.5	176.2	-63.7	-179.1	0	0	0	110.7	L247 A252 N253 V254	L247-L250 HydrophobicContact CB-CD1 4.5Å; L247-L250 HydrophobicContact CD2-CD1 3.55Å; L247-L250 HydrophobicContact CD2-CG 4.46Å; L247-L250 WeakPolarHBondContact O-CB 3.35Å; L247-L250 PolarHBondContact O-N 3.5Å; L247-L250 VanDerWaalsContact O-N 3.11Å; L250-A252 VanDerWaalsContact C-N 3.3Å; L250-A252 PolarHBondContact O-N 3.32Å; L250-A252 VanDerWaalsContact O-N 3.12Å; L250-N253 PolarHBondContact O-N 2.97Å; L250-V254 WeakPolarHBondContact O-CG2 3.34Å; L250-V254 PolarHBondContact O-N 3.41Å
251	P	91	Very high	90.1	Very high	112 Å²	112	63.1 Å²	63.1	73%	0.727	31%	0.309	S	S	*	.	H	α-helix	trans	-52.2	-41.9	-172.3	-29.5	34.7	0	0	0	115	R255	P251-R255 PolarHBondContact O-N 3.21Å
252	A	87.6	Confident	90.4	Very high	57 Å²	57	68.6 Å²	68.6	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-42.8	177.8	0	0	0	0	0	112.3	L250 R255 N256	L250-A252 VanDerWaalsContact C-N 3.3Å; L250-A252 PolarHBondContact O-N 3.32Å; L250-A252 VanDerWaalsContact O-N 3.12Å; A252-R255 WeakPolarHBondContact O-CB 3.21Å; A252-R255 PolarHBondContact O-N 2.92Å; A252-N256 PolarHBondContact O-N 2.96Å; A252-N256 PolarHBondContact O-OD1 3.05Å; A252-N256 VanDerWaalsContact O-OD1 3.12Å
253	N	89.5	Confident	90.7	Very high	22 Å²	22	67.8 Å²	67.8	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-73.1	-35.2	179.5	-68.2	-30.5	0	0	0	111.9	V241 L247 L250 R255 N256 I257	V241-N253 HydrophobicContact CG1-CB 4.12Å; L247-N253 VanDerWaalsContact O-CB 3.27Å; L247-N253 WeakPolarHBondContact O-CB 3.12Å; L247-N253 PolarHBondContact O-ND2 3.39Å; L250-N253 PolarHBondContact O-N 2.97Å; N253-R255 VanDerWaalsContact C-N 3.31Å; N253-R255 PolarHBondContact O-N 3.19Å; N253-N256 PolarHBondContact O-N 3.41Å; N253-I257 WeakPolarHBondContact O-CB 3.33Å; N253-I257 VanDerWaalsContact O-CG1 3.25Å; N253-I257 WeakPolarHBondContact O-CG1 3.36Å; N253-I257 PolarHBondContact O-N 2.65Å
254	V	90.7	Very high	90.8	Very high	53 Å²	53	68.9 Å²	68.9	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-43.8	172	173.2	0	0	0	0	110.4	R248 L250 I257 R258	R248-V254 VanDerWaalsContact O-CG2 3.23Å; R248-V254 WeakPolarHBondContact O-CG2 3.32Å; L250-V254 WeakPolarHBondContact O-CG2 3.34Å; L250-V254 PolarHBondContact O-N 3.41Å; V254-I257 PolarHBondContact O-N 2.68Å; V254-R258 VanDerWaalsContact O-CB 3.31Å; V254-R258 WeakPolarHBondContact O-CB 3.3Å; V254-R258 PolarHBondContact O-N 2.92Å
255	R	90.7	Very high	90.9	Very high	174 Å²	174	71.2 Å²	71.2	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-60.7	-45	175	-174.2	-177.7	70	177.1	3.2	111.6	P251 A252 N253 R258 F259	P251-R255 PolarHBondContact O-N 3.21Å; A252-R255 WeakPolarHBondContact O-CB 3.21Å; A252-R255 PolarHBondContact O-N 2.92Å; N253-R255 VanDerWaalsContact C-N 3.31Å; N253-R255 PolarHBondContact O-N 3.19Å; R255-R258 PolarHBondContact O-N 2.69Å; R255-F259 PolarHBondContact O-N 3.36Å
256	N	89.7	Confident	91.2	Very high	24 Å²	24	72.8 Å²	72.8	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-44.8	179.6	-64.4	-3.7	0	0	0	111.8	L234 S238 A252 N253 R258 F259 L260	L234-N256 HydrophobicContact CD1-CB 3.61Å; L234-N256 WeakPolarHBondContact CD1-ND2 3.34Å; L234-N256 HydrophobicContact CD2-CB 4.02Å; L234-N256 WeakPolarHBondContact CD2-O 3.42Å; L234-N256 HydrophobicContact CG-CB 4.04Å; S238-N256 PolarHBondContact OG-ND2 3.09Å; A252-N256 PolarHBondContact O-N 2.96Å; A252-N256 PolarHBondContact O-OD1 3.05Å; A252-N256 VanDerWaalsContact O-OD1 3.12Å; N253-N256 PolarHBondContact O-N 3.41Å; N256-R258 VanDerWaalsContact C-N 3.33Å; N256-R258 PolarHBondContact O-N 3.46Å; N256-F259 WeakPolarHBondContact O-CB 3.45Å; N256-F259 PolarHBondContact O-N 3.27Å; N256-L260 WeakPolarHBondContact O-CG 3.29Å; N256-L260 PolarHBondContact O-N 3.34Å; N256-L260 VanDerWaalsContact O-N 3.07Å
257	I	90.6	Very high	91.4	Very high	18 Å²	18	67.6 Å²	67.6	9%	0.092	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-42.5	176.6	-70.2	164.6	0	0	0	110.5	Y118 I123 R248 N253 V254 L260 L261	Y118-I257 HydrophobicContact CE1-CD1 4.08Å; Y118-I257 HydrophobicContact CE1-CG1 4.48Å; I123-I257 HydrophobicContact CD1-CG1 4.43Å; I123-I257 HydrophobicContact CD1-CG2 4.03Å; R248-I257 HydrophobicContact CB-CD1 3.98Å; R248-I257 HydrophobicContact CG-CD1 4.2Å; N253-I257 WeakPolarHBondContact O-CB 3.33Å; N253-I257 VanDerWaalsContact O-CG1 3.25Å; N253-I257 WeakPolarHBondContact O-CG1 3.36Å; N253-I257 PolarHBondContact O-N 2.65Å; V254-I257 PolarHBondContact O-N 2.68Å; I257-L260 PolarHBondContact O-N 2.91Å; I257-L261 HydrophobicContact CG2-CD1 3.82Å; I257-L261 HydrophobicContact CG2-CG 4.43Å; I257-L261 WeakPolarHBondContact O-CG 3.21Å; I257-L261 PolarHBondContact O-N 3.27Å
258	R	91.8	Very high	91.6	Very high	137 Å²	137	67.2 Å²	67.2	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-45.9	175.7	-176.5	-178.6	-59.5	149.4	2.1	111.7	V254 R255 N256 L260 L261 E262	V254-R258 VanDerWaalsContact O-CB 3.31Å; V254-R258 WeakPolarHBondContact O-CB 3.3Å; V254-R258 PolarHBondContact O-N 2.92Å; R255-R258 PolarHBondContact O-N 2.69Å; N256-R258 VanDerWaalsContact C-N 3.33Å; N256-R258 PolarHBondContact O-N 3.46Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.41Å; R258-L261 PolarHBondContact O-N 3.35Å; R258-E262 VanDerWaalsContact CD-OE1 3.22Å; R258-E262 WeakPolarHBondContact CD-OE1 3.4Å; R258-E262 HydrophobicContact CG-CG 4.14Å; R258-E262 WeakPolarHBondContact CG-OE1 3.29Å; R258-E262 WeakPolarHBondContact O-CB 3.4Å; R258-E262 WeakPolarHBondContact O-CG 3.04Å; R258-E262 PolarHBondContact O-N 2.96Å
259	F	90.9	Very high	91.9	Very high	59 Å²	59	66.9 Å²	66.9	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-56.1	-43.8	175.6	176.3	-86.4	0	0	0	111.9	L227 E230 L234 R255 N256 G263	L227-F259 HydrophobicContact CD1-CE1 3.76Å; L227-F259 HydrophobicContact CD1-CZ 3.76Å; E230-F259 HydrophobicContact CB-CE1 4.21Å; E230-F259 HydrophobicContact CB-CZ 3.71Å; E230-F259 WeakPolarHBondContact OE2-CE2 3.4Å; E230-F259 VanDerWaalsContact OE2-CZ 3.27Å; E230-F259 WeakPolarHBondContact OE2-CZ 3.34Å; L234-F259 HydrophobicContact CD2-CB 4.1Å; L234-F259 HydrophobicContact CD2-CD1 3.35Å; L234-F259 HydrophobicContact CD2-CE1 4.07Å; L234-F259 HydrophobicContact CD2-CG 4.01Å; R255-F259 PolarHBondContact O-N 3.36Å; N256-F259 WeakPolarHBondContact O-CB 3.45Å; N256-F259 PolarHBondContact O-N 3.27Å; F259-G263 WeakPolarHBondContact O-CA 3.36Å; F259-G263 PolarHBondContact O-N 2.97Å
260	L	89.1	Confident	92.1	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-42.1	177.5	-66.1	174.6	0	0	0	112.3	L119 I123 L234 I235 N256 I257 R258 K264	L119-L260 HydrophobicContact CD2-CD1 3.85Å; I123-L260 HydrophobicContact CD1-CB 4.46Å; I123-L260 HydrophobicContact CD1-CD1 4.21Å; I123-L260 HydrophobicContact CG2-CB 4.28Å; L234-L260 HydrophobicContact CD2-CD1 4.49Å; L234-L260 HydrophobicContact CD2-CD2 3.94Å; L234-L260 HydrophobicContact CD2-CG 3.86Å; I235-L260 HydrophobicContact CD1-CD2 4.44Å; I235-L260 HydrophobicContact CG1-CD1 4.38Å; I235-L260 HydrophobicContact CG1-CD2 3.93Å; N256-L260 WeakPolarHBondContact O-CG 3.29Å; N256-L260 PolarHBondContact O-N 3.34Å; N256-L260 VanDerWaalsContact O-N 3.07Å; I257-L260 PolarHBondContact O-N 2.91Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.41Å; L260-K264 VanDerWaalsContact O-CB 3.31Å; L260-K264 WeakPolarHBondContact O-CB 3.33Å; L260-K264 PolarHBondContact O-N 3.47Å
261	L	91.5	Very high	92.4	Very high	85 Å²	85	56 Å²	56	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-66	-46.6	178.6	-74	166.2	0	0	0	112.1	I123 I257 R258 K264 A265	I123-L261 HydrophobicContact CG2-CD2 3.94Å; I123-L261 HydrophobicContact CG2-CG 4.32Å; I257-L261 HydrophobicContact CG2-CD1 3.82Å; I257-L261 HydrophobicContact CG2-CG 4.43Å; I257-L261 WeakPolarHBondContact O-CG 3.21Å; I257-L261 PolarHBondContact O-N 3.27Å; R258-L261 PolarHBondContact O-N 3.35Å; L261-K264 PolarHBondContact O-N 3.47Å; L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 3.33Å
262	E	93.4	Very high	92.7	Very high	116 Å²	116	53.6 Å²	53.6	54%	0.542	28%	0.275	S	S	.	.	H	α-helix	trans	-67	-41.6	177.5	-71.2	173.8	-175.2	0	0	111.3	R258 A265 K266	R258-E262 VanDerWaalsContact CD-OE1 3.22Å; R258-E262 WeakPolarHBondContact CD-OE1 3.4Å; R258-E262 HydrophobicContact CG-CG 4.14Å; R258-E262 WeakPolarHBondContact CG-OE1 3.29Å; R258-E262 WeakPolarHBondContact O-CB 3.4Å; R258-E262 WeakPolarHBondContact O-CG 3.04Å; R258-E262 PolarHBondContact O-N 2.96Å; E262-A265 PolarHBondContact O-N 3.23Å; E262-K266 WeakPolarHBondContact O-CB 3.29Å; E262-K266 PolarHBondContact O-N 2.96Å
263	G	92.9	Very high	93.1	Very high	4 Å²	4	57.4 Å²	57.4	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-45.2	174.8	0	0	0	0	0	112.2	F259 T267	F259-G263 WeakPolarHBondContact O-CA 3.36Å; F259-G263 PolarHBondContact O-N 2.97Å; G263-T267 VanDerWaalsContact O-CB 3.3Å; G263-T267 WeakPolarHBondContact O-CB 3.39Å; G263-T267 PolarHBondContact O-N 2.97Å; G263-T267 PolarHBondContact O-OG1 2.97Å
264	K	91.4	Very high	93.5	Very high	49 Å²	49	57.1 Å²	57.1	21%	0.213	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-53.2	173.1	-177.9	-174.3	-177.9	-179.7	0	111.1	I123 M124 L260 L261 K266 T267 H268 H362	I123-K264 PolarHBondContact O-NZ 2.99Å; M124-K264 HydrophobicContact SD-CD 4.22Å; L260-K264 VanDerWaalsContact O-CB 3.31Å; L260-K264 WeakPolarHBondContact O-CB 3.33Å; L260-K264 PolarHBondContact O-N 3.47Å; L261-K264 PolarHBondContact O-N 3.47Å; K264-K266 PolarHBondContact O-N 3.27Å; K264-T267 PolarHBondContact O-N 3.39Å; K264-H268 VanDerWaalsContact CE-CE1 3.42Å; K264-H268 WeakPolarHBondContact CE-CE1 3.29Å; K264-H268 WeakPolarHBondContact O-CB 3.38Å; K264-H268 PolarHBondContact O-CD2 2.83Å; K264-H268 VanDerWaalsContact O-CG 3.3Å; K264-H268 PolarHBondContact O-N 3.44Å; K264-H362 WeakPolarHBondContact CE-NE2 3.47Å; K264-H362 PolarHBondContact NZ-NE2 3.37Å
265	A	94.1	Very high	93.8	Very high	62 Å²	62	55.7 Å²	55.7	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-59.9	-44.3	-177.3	0	0	0	0	0	112.5	L261 E262 H268 A269	L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 3.33Å; E262-A265 PolarHBondContact O-N 3.23Å; A265-H268 PolarHBondContact O-N 2.88Å; A265-A269 PolarHBondContact O-N 3.09Å; A265-A269 VanDerWaalsContact O-N 3.08Å
266	K	94.9	Very high	94.2	Very high	94 Å²	94	53.5 Å²	53.5	41%	0.409	26%	0.264	S	S	.	.	H	α-helix	trans	-70	-38.1	178.7	-176.8	166	166.9	-164.2	0	112.4	Y223 E262 K264 H268 A269 I270	Y223-K266 HydrophobicContact CD1-CD 4.19Å; Y223-K266 HydrophobicContact CD1-CG 4.38Å; Y223-K266 HydrophobicContact CD2-CD 4.38Å; Y223-K266 HydrophobicContact CE1-CB 4.14Å; Y223-K266 HydrophobicContact CE1-CD 3.59Å; Y223-K266 HydrophobicContact CE1-CG 3.63Å; Y223-K266 HydrophobicContact CE2-CD 3.81Å; E262-K266 WeakPolarHBondContact O-CB 3.29Å; E262-K266 PolarHBondContact O-N 2.96Å; K264-K266 PolarHBondContact O-N 3.27Å; K266-H268 VanDerWaalsContact C-N 3.34Å; K266-A269 PolarHBondContact O-N 3.22Å; K266-I270 HydrophobicContact CG-CD1 4.38Å; K266-I270 WeakPolarHBondContact O-CG1 3.39Å; K266-I270 PolarHBondContact O-N 2.91Å
267	T	94.8	Very high	94.5	Very high	14 Å²	14	54 Å²	54	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-43.9	174.3	-57.5	0	0	0	0	111.1	L224 L227 G263 K264 A269 I270 Y271	L224-T267 HydrophobicContact CD2-CG2 4.26Å; L227-T267 WeakPolarHBondContact CD2-OG1 3.46Å; G263-T267 VanDerWaalsContact O-CB 3.3Å; G263-T267 WeakPolarHBondContact O-CB 3.39Å; G263-T267 PolarHBondContact O-N 2.97Å; G263-T267 PolarHBondContact O-OG1 2.97Å; K264-T267 PolarHBondContact O-N 3.39Å; T267-A269 VanDerWaalsContact C-N 3.32Å; T267-A269 PolarHBondContact O-N 3.36Å; T267-I270 PolarHBondContact O-N 3.19Å; T267-I270 VanDerWaalsContact O-N 3.15Å; T267-Y271 HydrophobicContact CG2-CD1 4.26Å; T267-Y271 HydrophobicContact CG2-CD2 4.14Å; T267-Y271 HydrophobicContact CG2-CE1 3.86Å; T267-Y271 HydrophobicContact CG2-CE2 3.73Å; T267-Y271 HydrophobicContact CG2-CG 4.4Å; T267-Y271 PolarHBondContact O-N 3.35Å
268	H	94.6	Very high	94.9	Very high	25 Å²	25	53.1 Å²	53.1	12%	0.116	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-45.3	175	-75.7	-155.7	0	0	0	111.5	K264 A265 K266 I270 Y271 D272 R361 H362	K264-H268 VanDerWaalsContact CE-CE1 3.42Å; K264-H268 WeakPolarHBondContact CE-CE1 3.29Å; K264-H268 WeakPolarHBondContact O-CB 3.38Å; K264-H268 PolarHBondContact O-CD2 2.83Å; K264-H268 VanDerWaalsContact O-CG 3.3Å; K264-H268 PolarHBondContact O-N 3.44Å; A265-H268 PolarHBondContact O-N 2.88Å; K266-H268 VanDerWaalsContact C-N 3.34Å; H268-I270 VanDerWaalsContact C-N 3.34Å; H268-I270 PolarHBondContact O-N 2.77Å; H268-Y271 CarbonylContact O-C 3.55Å; H268-Y271 PolarHBondContact O-N 3.38Å; H268-Y271 VanDerWaalsContact O-N 3.16Å; H268-D272 WeakPolarHBondContact O-CB 3.28Å; H268-D272 PolarHBondContact O-N 2.97Å; H268-R361 WeakPolarHBondContact ND1-CD 3.39Å; H268-H362 AromaticContact CE1-CE1 3.57Å; H268-H362 AromaticContact NE2-CE1 3.75Å; H268-H362 AromaticContact NE2-NE2 3.99Å
269	A	96.7	Very high	95.1	Very high	52 Å²	52	47.5 Å²	47.5	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-34	177.1	0	0	0	0	0	113.5	A265 K266 T267 R273	A265-A269 PolarHBondContact O-N 3.09Å; A265-A269 VanDerWaalsContact O-N 3.08Å; K266-A269 PolarHBondContact O-N 3.22Å; T267-A269 VanDerWaalsContact C-N 3.32Å; T267-A269 PolarHBondContact O-N 3.36Å; A269-R273 WeakPolarHBondContact O-CG 3.36Å; A269-R273 PolarHBondContact O-N 3.19Å
270	I	96.8	Very high	95.4	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-46.4	171.7	-67.2	165	0	0	0	109.7	Y223 L224 K266 T267 H268 D272 R273 I274	Y223-I270 HydrophobicContact CD1-CD1 3.79Å; Y223-I270 HydrophobicContact CE1-CD1 4.15Å; L224-I270 HydrophobicContact CD1-CG2 4.36Å; L224-I270 HydrophobicContact CD2-CD1 4.07Å; L224-I270 HydrophobicContact CG-CD1 4.3Å; K266-I270 HydrophobicContact CG-CD1 4.38Å; K266-I270 WeakPolarHBondContact O-CG1 3.39Å; K266-I270 PolarHBondContact O-N 2.91Å; T267-I270 PolarHBondContact O-N 3.19Å; T267-I270 VanDerWaalsContact O-N 3.15Å; H268-I270 VanDerWaalsContact C-N 3.34Å; H268-I270 PolarHBondContact O-N 2.77Å; I270-D272 PolarHBondContact O-N 3.35Å; I270-R273 PolarHBondContact O-N 2.88Å; I270-I274 HydrophobicContact CG2-CD1 3.89Å; I270-I274 WeakPolarHBondContact O-CG1 3.35Å; I270-I274 PolarHBondContact O-N 3.1Å; I270-I274 VanDerWaalsContact O-N 3.09Å
271	Y	96.9	Very high	95.7	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.027	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-39.4	-179.4	-70.9	0.5	0	0	0	112.2	F210 T267 H268 R273 I274 V275 L364 A365	F210-Y271 AromaticContact CE1-CD1 3.99Å; F210-Y271 HydrophobicContact CE1-CD1 3.99Å; F210-Y271 HydrophobicContact CE1-CD2 4.5Å; F210-Y271 AromaticContact CE1-CE1 3.84Å; F210-Y271 HydrophobicContact CE1-CE1 3.84Å; F210-Y271 HydrophobicContact CE1-CE2 4.36Å; F210-Y271 HydrophobicContact CE1-CG 4.32Å; F210-Y271 HydrophobicContact CE2-CE1 4.39Å; F210-Y271 HydrophobicContact CZ-CD1 4.17Å; F210-Y271 AromaticContact CZ-CE1 3.54Å; F210-Y271 HydrophobicContact CZ-CE1 3.54Å; F210-Y271 HydrophobicContact CZ-CE2 4.13Å; F210-Y271 AromaticContact CZ-CZ 3.52Å; T267-Y271 HydrophobicContact CG2-CD1 4.26Å; T267-Y271 HydrophobicContact CG2-CD2 4.14Å; T267-Y271 HydrophobicContact CG2-CE1 3.86Å; T267-Y271 HydrophobicContact CG2-CE2 3.73Å; T267-Y271 HydrophobicContact CG2-CG 4.4Å; T267-Y271 PolarHBondContact O-N 3.35Å; H268-Y271 CarbonylContact O-C 3.55Å; H268-Y271 PolarHBondContact O-N 3.38Å; H268-Y271 VanDerWaalsContact O-N 3.16Å; Y271-R273 VanDerWaalsContact C-N 3.3Å; Y271-R273 PolarHBondContact O-N 3.49Å; Y271-I274 HydrophobicContact CD1-CD1 4.15Å; Y271-I274 CarbonylContact O-C 3.57Å; Y271-I274 PolarHBondContact O-N 2.66Å; Y271-I274 VanDerWaalsContact O-N 3.08Å; Y271-V275 WeakPolarHBondContact O-CB 3.17Å; Y271-V275 WeakPolarHBondContact O-CG2 3.48Å; Y271-V275 PolarHBondContact O-N 2.83Å; Y271-L364 HydrophobicContact CD2-CB 4.24Å; Y271-L364 HydrophobicContact CE2-CB 4.11Å; Y271-A365 HydrophobicContact CE2-CB 3.85Å
272	D	97.4	Very high	95.9	Very high	61 Å²	61	49.8 Å²	49.8	33%	0.326	26%	0.257	S	S	.	.	H	α-helix	trans	-57.9	-43.7	175.5	-70.2	-28.7	0	0	0	111.3	H268 I270 I274 V275 E276 R361	H268-D272 WeakPolarHBondContact O-CB 3.28Å; H268-D272 PolarHBondContact O-N 2.97Å; I270-D272 PolarHBondContact O-N 3.35Å; D272-I274 PolarHBondContact O-N 2.79Å; D272-V275 PolarHBondContact O-N 2.92Å; D272-E276 WeakPolarHBondContact O-CB 3.34Å; D272-E276 PolarHBondContact O-N 3.48Å; D272-R361 IonicContact OD1-CZ 3.35Å; D272-R361 VanDerWaalsContact OD1-CZ 3.22Å; D272-R361 IonicContact OD1-NE 2.69Å; D272-R361 PolarHBondContact OD1-NE 3.1Å; D272-R361 IonicContact OD1-NH2 2.75Å; D272-R361 PolarHBondContact OD1-NH2 3.03Å; D272-R361 IonicContact OD2-CZ 2.77Å; D272-R361 IonicContact OD2-NE 3.77Å; D272-R361 PolarHBondContact OD2-NE 3.21Å; D272-R361 IonicContact OD2-NH2 3.49Å; D272-R361 PolarHBondContact OD2-NH2 2.79Å
273	R	97.4	Very high	96	Very high	136 Å²	136	51.6 Å²	51.6	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-40.7	174.4	-70.6	-173.5	-68.2	151.9	2.3	112.4	D220 A269 I270 Y271 A277	D220-R273 IonicContact OD1-NH2 3.51Å; D220-R273 PolarHBondContact OD1-NH2 3.5Å; D220-R273 IonicContact OD2-CZ 3.4Å; D220-R273 IonicContact OD2-NH1 2.71Å; D220-R273 PolarHBondContact OD2-NH1 2.79Å; D220-R273 IonicContact OD2-NH2 2.68Å; D220-R273 PolarHBondContact OD2-NH2 3.43Å; A269-R273 WeakPolarHBondContact O-CG 3.36Å; A269-R273 PolarHBondContact O-N 3.19Å; I270-R273 PolarHBondContact O-N 2.88Å; Y271-R273 VanDerWaalsContact C-N 3.3Å; Y271-R273 PolarHBondContact O-N 3.49Å; R273-A277 WeakPolarHBondContact O-CB 3.05Å; R273-A277 PolarHBondContact O-N 3.42Å; R273-A277 VanDerWaalsContact O-N 3.1Å
274	I	97.6	Very high	96.1	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.082	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-44.3	177.6	-64.7	167.2	0	0	0	110.7	F210 I212 Y214 I270 Y271 D272 A277 C278 L341	F210-I274 HydrophobicContact CB-CG2 4.04Å; F210-I274 HydrophobicContact CD1-CD1 4.42Å; F210-I274 HydrophobicContact CD1-CG2 3.94Å; F210-I274 HydrophobicContact CG-CG2 4.34Å; I212-I274 HydrophobicContact CD1-CD1 3.92Å; I212-I274 HydrophobicContact CD1-CG1 4.01Å; I212-I274 HydrophobicContact CD1-CG2 4.21Å; Y214-I274 WeakPolarHBondContact OH-CD1 3.12Å; I270-I274 HydrophobicContact CG2-CD1 3.89Å; I270-I274 WeakPolarHBondContact O-CG1 3.35Å; I270-I274 PolarHBondContact O-N 3.1Å; I270-I274 VanDerWaalsContact O-N 3.09Å; Y271-I274 HydrophobicContact CD1-CD1 4.15Å; Y271-I274 CarbonylContact O-C 3.57Å; Y271-I274 PolarHBondContact O-N 2.66Å; Y271-I274 VanDerWaalsContact O-N 3.08Å; D272-I274 PolarHBondContact O-N 2.79Å; I274-A277 PolarHBondContact O-N 3.3Å; I274-C278 WeakPolarHBondContact O-CB 3.37Å; I274-C278 PolarHBondContact O-N 3.47Å; I274-L341 HydrophobicContact CG2-CD2 3.85Å
275	V	97.4	Very high	96.2	Very high	24 Å²	24	58.3 Å²	58.3	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-47.2	179.5	170.6	0	0	0	0	110.4	Y271 D272 C278 G279 L341 L345 L360 L364	Y271-V275 WeakPolarHBondContact O-CB 3.17Å; Y271-V275 WeakPolarHBondContact O-CG2 3.48Å; Y271-V275 PolarHBondContact O-N 2.83Å; D272-V275 PolarHBondContact O-N 2.92Å; V275-C278 PolarHBondContact O-N 3.05Å; V275-G279 PolarHBondContact O-N 3.12Å; V275-L341 HydrophobicContact CG2-CD1 3.86Å; V275-L341 HydrophobicContact CG2-CD2 4.36Å; V275-L345 HydrophobicContact CG1-CD2 4.23Å; V275-L360 HydrophobicContact CG1-CD2 3.95Å; V275-L360 HydrophobicContact CG2-CD2 3.93Å; V275-L360 HydrophobicContact CG2-CG 4.46Å; V275-L364 HydrophobicContact CG2-CD1 4.12Å
276	E	97.3	Very high	96.2	Very high	127 Å²	127	58.3 Å²	58.3	59%	0.593	28%	0.283	S	S	*	.	H	α-helix	trans	-60.3	-50.4	177.2	-176.8	176.8	-165.8	0	0	111.3	D272 C278 G279 Q280	D272-E276 WeakPolarHBondContact O-CB 3.34Å; D272-E276 PolarHBondContact O-N 3.48Å; E276-C278 VanDerWaalsContact C-N 3.31Å; E276-C278 PolarHBondContact O-N 3.42Å; E276-G279 PolarHBondContact O-N 2.81Å; E276-Q280 WeakPolarHBondContact O-CG 3.36Å; E276-Q280 PolarHBondContact O-N 3.48Å
277	A	97.6	Very high	96.1	Very high	35 Å²	35	60.2 Å²	60.2	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-38.1	178.5	0	0	0	0	0	112.2	R273 I274 R281	R273-A277 WeakPolarHBondContact O-CB 3.05Å; R273-A277 PolarHBondContact O-N 3.42Å; R273-A277 VanDerWaalsContact O-N 3.1Å; I274-A277 PolarHBondContact O-N 3.3Å; A277-R281 WeakPolarHBondContact O-CG 3.46Å; A277-R281 PolarHBondContact O-N 2.8Å; A277-R281 VanDerWaalsContact O-N 3.14Å; A277-R281 PolarHBondContact O-NH1 3.43Å
278	C	97.6	Very high	96.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-43	175.9	-168.7	0	0	0	0	111.6	I274 V275 E276 Q280 R281 L282 L341 L345	I274-C278 WeakPolarHBondContact O-CB 3.37Å; I274-C278 PolarHBondContact O-N 3.47Å; V275-C278 PolarHBondContact O-N 3.05Å; E276-C278 VanDerWaalsContact C-N 3.31Å; E276-C278 PolarHBondContact O-N 3.42Å; C278-Q280 VanDerWaalsContact C-N 3.31Å; C278-Q280 PolarHBondContact O-N 3.09Å; C278-R281 PolarHBondContact O-N 3.41Å; C278-L282 VanDerWaalsContact O-CB 3.28Å; C278-L282 WeakPolarHBondContact O-CB 3.37Å; C278-L282 PolarHBondContact O-N 2.89Å; C278-L341 HydrophobicContact CB-CD2 3.52Å; C278-L341 HydrophobicContact CB-CG 4.02Å; C278-L345 HydrophobicContact CB-CD1 4.16Å
279	G	96.1	Very high	96	Very high	18 Å²	18	64.5 Å²	64.5	19%	0.186	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-37.2	177.9	0	0	0	0	0	112.8	V275 E276 K283	V275-G279 PolarHBondContact O-N 3.12Å; E276-G279 PolarHBondContact O-N 2.81Å; G279-K283 WeakPolarHBondContact O-CG 3.45Å; G279-K283 PolarHBondContact O-N 3.16Å
280	Q	97	Very high	95.8	Very high	111 Å²	111	68.9 Å²	68.9	52%	0.519	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-51.9	173.3	-69.3	174.2	4.9	0	0	111.3	E276 C278 L282 K283 E284	E276-Q280 WeakPolarHBondContact O-CG 3.36Å; E276-Q280 PolarHBondContact O-N 3.48Å; C278-Q280 VanDerWaalsContact C-N 3.31Å; C278-Q280 PolarHBondContact O-N 3.09Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 2.94Å; Q280-K283 PolarHBondContact O-N 3.42Å; Q280-E284 PolarHBondContact O-N 3.14Å
281	R	96.2	Very high	95.7	Very high	83 Å²	83	72.7 Å²	72.7	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-58.9	-41.4	177.5	-70	-169.8	-52.6	-91	4.4	112.6	A277 C278 E284 K285	A277-R281 WeakPolarHBondContact O-CG 3.46Å; A277-R281 PolarHBondContact O-N 2.8Å; A277-R281 VanDerWaalsContact O-N 3.14Å; A277-R281 PolarHBondContact O-NH1 3.43Å; C278-R281 PolarHBondContact O-N 3.41Å; R281-E284 PolarHBondContact O-N 2.86Å; R281-K285 WeakPolarHBondContact O-CG 3.31Å; R281-K285 PolarHBondContact O-N 2.9Å
282	L	95.4	Very high	95.5	Very high	7 Å²	7	76.5 Å²	76.5	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-43.9	-179.5	-180	60.7	0	0	0	111.5	C278 Q280 E284 K285 Q286 Y335 E342 L345	C278-L282 VanDerWaalsContact O-CB 3.28Å; C278-L282 WeakPolarHBondContact O-CB 3.37Å; C278-L282 PolarHBondContact O-N 2.89Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 2.94Å; L282-E284 VanDerWaalsContact C-N 3.32Å; L282-E284 PolarHBondContact O-N 3.43Å; L282-K285 PolarHBondContact O-N 3.44Å; L282-Q286 HydrophobicContact CD1-CG 4.14Å; L282-Q286 HydrophobicContact CG-CG 4.46Å; L282-Q286 WeakPolarHBondContact O-CB 3.35Å; L282-Q286 WeakPolarHBondContact O-CG 3.46Å; L282-Q286 PolarHBondContact O-N 2.92Å; L282-Y335 HydrophobicContact CD1-CD1 4.13Å; L282-Y335 HydrophobicContact CD1-CE1 3.32Å; L282-E342 HydrophobicContact CD1-CB 4.36Å; L282-E342 HydrophobicContact CD1-CG 4.27Å; L282-L345 HydrophobicContact CD2-CB 3.74Å
283	K	95	Very high	95.1	Very high	155 Å²	155	74.7 Å²	74.7	67%	0.674	35%	0.352	S	S	*	.	H	α-helix	trans	-60.2	-42.3	176	-73.7	173.5	-177	-179.9	0	111.9	G279 Q280 K287	G279-K283 WeakPolarHBondContact O-CG 3.45Å; G279-K283 PolarHBondContact O-N 3.16Å; Q280-K283 PolarHBondContact O-N 3.42Å; K283-K287 WeakPolarHBondContact O-CB 3.23Å; K283-K287 PolarHBondContact O-N 2.9Å
284	E	95.4	Very high	94.9	Very high	128 Å²	128	74 Å²	74	60%	0.598	35%	0.354	S	S	*	.	H	α-helix	trans	-63.6	-48.9	176.4	-69.2	173.8	177.2	0	0	111.4	Q280 R281 L282 Q286 K287 V288	Q280-E284 PolarHBondContact O-N 3.14Å; R281-E284 PolarHBondContact O-N 2.86Å; L282-E284 VanDerWaalsContact C-N 3.32Å; L282-E284 PolarHBondContact O-N 3.43Å; E284-Q286 PolarHBondContact O-N 3.35Å; E284-K287 WeakPolarHBondContact O-CB 3.22Å; E284-K287 PolarHBondContact O-N 3.44Å; E284-V288 WeakPolarHBondContact O-CG2 3.18Å; E284-V288 PolarHBondContact O-N 3.36Å
285	K	94.3	Very high	94.6	Very high	65 Å²	65	79.1 Å²	79.1	28%	0.283	38%	0.378	S	S	.	.	H	α-helix	trans	-58.3	-46.3	177	-73.2	-178.3	177	-177.8	0	112.2	R281 L282 K287 V288 F289 Y335 E338 E342	R281-K285 WeakPolarHBondContact O-CG 3.31Å; R281-K285 PolarHBondContact O-N 2.9Å; L282-K285 PolarHBondContact O-N 3.44Å; K285-K287 VanDerWaalsContact C-N 3.33Å; K285-K287 PolarHBondContact O-N 2.76Å; K285-V288 PolarHBondContact O-N 3.49Å; K285-F289 VanDerWaalsContact O-CB 3.22Å; K285-F289 WeakPolarHBondContact O-CB 3.4Å; K285-F289 PolarHBondContact O-N 2.89Å; K285-Y335 HydrophobicContact CB-CE2 3.74Å; K285-Y335 HydrophobicContact CD-CE2 4.14Å; K285-Y335 WeakPolarHBondContact CD-OH 3.32Å; K285-E338 IonicContact NZ-OE2 3.92Å; K285-E338 PolarHBondContact NZ-OE2 3.31Å; K285-E342 IonicContact NZ-OE1 3.37Å; K285-E342 PolarHBondContact NZ-OE1 3.49Å; K285-E342 IonicContact NZ-OE2 2.7Å
286	Q	93	Very high	94.3	Very high	62 Å²	62	83.2 Å²	83.2	29%	0.29	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-36.3	177.9	-74.3	178.6	-26.2	0	0	112.4	L282 E284 K290 Y335	L282-Q286 HydrophobicContact CD1-CG 4.14Å; L282-Q286 HydrophobicContact CG-CG 4.46Å; L282-Q286 WeakPolarHBondContact O-CB 3.35Å; L282-Q286 WeakPolarHBondContact O-CG 3.46Å; L282-Q286 PolarHBondContact O-N 2.92Å; E284-Q286 PolarHBondContact O-N 3.35Å; Q286-K290 WeakPolarHBondContact O-CG 3.33Å; Q286-K290 PolarHBondContact O-N 3.12Å; Q286-Y335 HydrophobicContact CG-CD1 4.04Å; Q286-Y335 HydrophobicContact CG-CE1 4.5Å; Q286-Y335 HydrophobicContact CG-CG 4.06Å
287	K	94.3	Very high	93.9	Very high	134 Å²	134	82.1 Å²	82.1	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-52.3	175.2	-176.3	-174.7	174.9	-166.3	0	111	K283 E284 K285 F289 K290 E291	K283-K287 WeakPolarHBondContact O-CB 3.23Å; K283-K287 PolarHBondContact O-N 2.9Å; E284-K287 WeakPolarHBondContact O-CB 3.22Å; E284-K287 PolarHBondContact O-N 3.44Å; K285-K287 VanDerWaalsContact C-N 3.33Å; K285-K287 PolarHBondContact O-N 2.76Å; K287-F289 VanDerWaalsContact C-N 3.26Å; K287-F289 PolarHBondContact O-N 3.28Å; K287-K290 PolarHBondContact O-N 2.75Å; K287-E291 WeakPolarHBondContact CE-OE1 3.4Å; K287-E291 IonicContact NZ-OE1 3.32Å; K287-E291 WeakPolarHBondContact O-CG 3.27Å; K287-E291 PolarHBondContact O-N 3.46Å
288	V	94.4	Very high	93.6	Very high	78 Å²	78	84.6 Å²	84.6	47%	0.473	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-40.9	177.9	172.5	0	0	0	0	110.8	E284 K285 E291 L292	E284-V288 WeakPolarHBondContact O-CG2 3.18Å; E284-V288 PolarHBondContact O-N 3.36Å; K285-V288 PolarHBondContact O-N 3.49Å; V288-E291 PolarHBondContact O-N 2.87Å; V288-L292 HydrophobicContact CG1-CD1 4.06Å; V288-L292 HydrophobicContact CG1-CG 4.5Å; V288-L292 WeakPolarHBondContact O-CG 3.34Å; V288-L292 PolarHBondContact O-N 2.78Å
289	F	92.9	Very high	93.3	Very high	52 Å²	52	90.1 Å²	90.1	23%	0.228	42%	0.418	C	S	.	.	H	α-helix	trans	-61	-46.5	177.2	-177.4	-96.8	0	0	0	112.5	K285 K287 E291 L292 Q293 D333 Y335	K285-F289 VanDerWaalsContact O-CB 3.22Å; K285-F289 WeakPolarHBondContact O-CB 3.4Å; K285-F289 PolarHBondContact O-N 2.89Å; K287-F289 VanDerWaalsContact C-N 3.26Å; K287-F289 PolarHBondContact O-N 3.28Å; F289-E291 PolarHBondContact O-N 3Å; F289-L292 PolarHBondContact O-N 2.95Å; F289-Q293 HydrophobicContact CD1-CG 4.31Å; F289-Q293 HydrophobicContact CE1-CG 3.95Å; F289-Q293 VanDerWaalsContact CE1-OE1 3.28Å; F289-Q293 HydrophobicContact CZ-CG 4.2Å; F289-Q293 WeakPolarHBondContact O-CG 3.46Å; F289-Q293 PolarHBondContact O-N 2.86Å; F289-D333 WeakPolarHBondContact CE1-O 3.45Å; F289-D333 HydrophobicContact CE2-CB 4.4Å; F289-D333 HydrophobicContact CZ-CB 3.72Å; F289-D333 WeakPolarHBondContact CZ-O 3.45Å; F289-Y335 HydrophobicContact CB-CD2 4.33Å; F289-Y335 HydrophobicContact CG-CD2 4.34Å
290	K	92.2	Very high	93	Very high	143 Å²	143	95.5 Å²	95.5	62%	0.622	43%	0.433	S	S	*	.	H	α-helix	trans	-61.8	-42.6	176.4	-74.5	177.5	179.9	-174	0	112.5	Q286 K287 L292 Q293 E294	Q286-K290 WeakPolarHBondContact O-CG 3.33Å; Q286-K290 PolarHBondContact O-N 3.12Å; K287-K290 PolarHBondContact O-N 2.75Å; K290-L292 VanDerWaalsContact C-N 3.33Å; K290-L292 PolarHBondContact O-N 3.01Å; K290-Q293 PolarHBondContact O-N 2.98Å; K290-E294 PolarHBondContact O-N 3.48Å
291	E	93.9	Very high	92.7	Very high	84 Å²	84	95.6 Å²	95.6	39%	0.393	43%	0.433	S	S	.	.	H	α-helix	trans	-61.3	-41.7	176.3	-70.8	172	178.9	0	0	111.3	K287 V288 F289 E294 Q295	K287-E291 WeakPolarHBondContact CE-OE1 3.4Å; K287-E291 IonicContact NZ-OE1 3.32Å; K287-E291 WeakPolarHBondContact O-CG 3.27Å; K287-E291 PolarHBondContact O-N 3.46Å; V288-E291 PolarHBondContact O-N 2.87Å; F289-E291 PolarHBondContact O-N 3Å; E291-E294 PolarHBondContact O-N 3.01Å; E291-Q295 VanDerWaalsContact O-CG 3.3Å; E291-Q295 WeakPolarHBondContact O-CG 3.49Å; E291-Q295 PolarHBondContact O-N 3.44Å
292	L	92.2	Very high	92.6	Very high	87 Å²	87	96.2 Å²	96.2	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-38.9	175.1	-72.8	169.9	0	0	0	112.3	V288 F289 K290 Q295 K296	V288-L292 HydrophobicContact CG1-CD1 4.06Å; V288-L292 HydrophobicContact CG1-CG 4.5Å; V288-L292 WeakPolarHBondContact O-CG 3.34Å; V288-L292 PolarHBondContact O-N 2.78Å; F289-L292 PolarHBondContact O-N 2.95Å; K290-L292 VanDerWaalsContact C-N 3.33Å; K290-L292 PolarHBondContact O-N 3.01Å; L292-Q295 PolarHBondContact O-N 2.69Å; L292-K296 WeakPolarHBondContact O-CG 3.39Å; L292-K296 PolarHBondContact O-N 3.5Å
293	Q	90.9	Very high	92.4	Very high	24 Å²	24	100.6 Å²	100.6	11%	0.112	46%	0.462	C	S	.	.	H	α-helix	trans	-65.5	-42.4	175.3	-72.9	-169.5	-59.5	0	0	112	F289 K290 Q295 K296 R297 D333	F289-Q293 HydrophobicContact CD1-CG 4.31Å; F289-Q293 HydrophobicContact CE1-CG 3.95Å; F289-Q293 VanDerWaalsContact CE1-OE1 3.28Å; F289-Q293 HydrophobicContact CZ-CG 4.2Å; F289-Q293 WeakPolarHBondContact O-CG 3.46Å; F289-Q293 PolarHBondContact O-N 2.86Å; K290-Q293 PolarHBondContact O-N 2.98Å; Q293-Q295 VanDerWaalsContact C-N 3.35Å; Q293-K296 PolarHBondContact O-N 2.92Å; Q293-R297 VanDerWaalsContact O-CG 3.31Å; Q293-R297 WeakPolarHBondContact O-CG 3.09Å; Q293-R297 PolarHBondContact O-N 2.89Å; Q293-D333 PolarHBondContact NE2-O 2.97Å
294	E	91.5	Very high	92.2	Very high	121 Å²	121	98.8 Å²	98.8	57%	0.565	46%	0.455	S	S	*	.	H	α-helix	trans	-62.4	-43.2	176.3	-172.6	175.1	-172.4	0	0	111.2	K290 E291 K296 R297 L298	K290-E294 PolarHBondContact O-N 3.48Å; E291-E294 PolarHBondContact O-N 3.01Å; E294-K296 PolarHBondContact O-N 2.9Å; E294-R297 PolarHBondContact O-N 3.22Å; E294-L298 HydrophobicContact CG-CD1 4.28Å; E294-L298 WeakPolarHBondContact O-CG 3.45Å; E294-L298 PolarHBondContact O-N 3.32Å
295	Q	91.8	Very high	91.9	Very high	123 Å²	123	97.9 Å²	97.9	58%	0.575	45%	0.45	S	S	*	.	H	α-helix	trans	-60.1	-46.5	174.1	-74	175.1	5.3	0	0	112.3	E291 L292 Q293 R297 L298 Q299	E291-Q295 VanDerWaalsContact O-CG 3.3Å; E291-Q295 WeakPolarHBondContact O-CG 3.49Å; E291-Q295 PolarHBondContact O-N 3.44Å; L292-Q295 PolarHBondContact O-N 2.69Å; Q293-Q295 VanDerWaalsContact C-N 3.35Å; Q295-R297 VanDerWaalsContact C-N 3.31Å; Q295-R297 PolarHBondContact O-N 2.59Å; Q295-L298 PolarHBondContact O-N 3.03Å; Q295-Q299 WeakPolarHBondContact O-CB 3.31Å; Q295-Q299 PolarHBondContact O-N 2.67Å
296	K	90.6	Very high	91.6	Very high	110 Å²	110	101 Å²	101	48%	0.478	47%	0.466	S	S	.	.	H	α-helix	trans	-59.8	-40.2	175.3	-75.3	179.5	179.4	-175.6	0	111.8	L292 Q293 E294 R300 D333	L292-K296 WeakPolarHBondContact O-CG 3.39Å; L292-K296 PolarHBondContact O-N 3.5Å; Q293-K296 PolarHBondContact O-N 2.92Å; E294-K296 PolarHBondContact O-N 2.9Å; K296-R300 WeakPolarHBondContact O-CG 3.38Å; K296-R300 PolarHBondContact O-N 2.83Å; K296-D333 IonicContact NZ-OD2 2.8Å
297	R	89.3	Confident	91.3	Very high	104 Å²	104	102.7 Å²	102.7	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-66.3	-47.3	177.7	-73	178.4	-155.2	-161.4	11.2	112	Q293 E294 Q295 Q299 R300 Q301 E332	Q293-R297 VanDerWaalsContact O-CG 3.31Å; Q293-R297 WeakPolarHBondContact O-CG 3.09Å; Q293-R297 PolarHBondContact O-N 2.89Å; E294-R297 PolarHBondContact O-N 3.22Å; Q295-R297 VanDerWaalsContact C-N 3.31Å; Q295-R297 PolarHBondContact O-N 2.59Å; R297-Q299 VanDerWaalsContact C-N 3.29Å; R297-Q299 PolarHBondContact O-N 2.74Å; R297-R300 PolarHBondContact O-N 2.92Å; R297-Q301 WeakPolarHBondContact O-CG 3.07Å; R297-Q301 PolarHBondContact O-N 3.26Å; R297-E332 IonicContact CZ-OE1 3.42Å; R297-E332 IonicContact CZ-OE2 3.94Å; R297-E332 IonicContact NH1-OE1 3.22Å; R297-E332 PolarHBondContact NH1-OE1 2.98Å; R297-E332 VanDerWaalsContact NH2-CG 3.31Å; R297-E332 IonicContact NH2-OE1 3.82Å; R297-E332 PolarHBondContact NH2-OE1 3.4Å; R297-E332 IonicContact NH2-OE2 2.97Å; R297-E332 PolarHBondContact NH2-OE2 3.21Å
298	L	92.5	Very high	90.9	Very high	88 Å²	88	104.8 Å²	104.8	46%	0.461	48%	0.48	S	S	.	.	H	α-helix	trans	-61.3	-41	177.2	-71.8	172.1	0	0	0	111	E294 Q295 Q301 L302	E294-L298 HydrophobicContact CG-CD1 4.28Å; E294-L298 WeakPolarHBondContact O-CG 3.45Å; E294-L298 PolarHBondContact O-N 3.32Å; Q295-L298 PolarHBondContact O-N 3.03Å; L298-Q301 PolarHBondContact O-N 3.03Å; L298-L302 WeakPolarHBondContact O-CG 3.31Å; L298-L302 PolarHBondContact O-N 3.1Å
299	Q	91.5	Very high	90.4	Very high	116 Å²	116	107 Å²	107	54%	0.542	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-48.1	175	-175.6	177.6	-12.2	0	0	111.7	Q295 R297 Q301 L302 E303	Q295-Q299 WeakPolarHBondContact O-CB 3.31Å; Q295-Q299 PolarHBondContact O-N 2.67Å; R297-Q299 VanDerWaalsContact C-N 3.29Å; R297-Q299 PolarHBondContact O-N 2.74Å; Q299-Q301 VanDerWaalsContact C-N 3.31Å; Q299-Q301 PolarHBondContact O-N 3.43Å; Q299-L302 PolarHBondContact O-N 2.92Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.37Å; Q299-E303 PolarHBondContact NE2-OE1 3.35Å; Q299-E303 WeakPolarHBondContact O-CG 3.47Å; Q299-E303 PolarHBondContact O-N 3.42Å
300	R	89.3	Confident	89.8	Confident	131 Å²	131	107.3 Å²	107.3	49%	0.494	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-37.5	175.8	-74.6	175.2	175.8	-173.2	-4	112.6	K296 R297 E303 K304	K296-R300 WeakPolarHBondContact O-CG 3.38Å; K296-R300 PolarHBondContact O-N 2.83Å; R297-R300 PolarHBondContact O-N 2.92Å; R300-E303 PolarHBondContact O-N 3.46Å; R300-K304 WeakPolarHBondContact O-CB 3.45Å; R300-K304 WeakPolarHBondContact O-CG 3.18Å; R300-K304 PolarHBondContact O-N 2.97Å
301	Q	90.5	Very high	89.3	Confident	112 Å²	112	105.4 Å²	105.4	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-45.4	176.2	-76.6	177.5	-3.6	0	0	111.6	R297 L298 Q299 E303 K304 E305	R297-Q301 WeakPolarHBondContact O-CG 3.07Å; R297-Q301 PolarHBondContact O-N 3.26Å; L298-Q301 PolarHBondContact O-N 3.03Å; Q299-Q301 VanDerWaalsContact C-N 3.31Å; Q299-Q301 PolarHBondContact O-N 3.43Å; Q301-E303 VanDerWaalsContact C-N 3.32Å; Q301-E303 PolarHBondContact O-N 3.22Å; Q301-K304 PolarHBondContact O-N 2.93Å; Q301-E305 WeakPolarHBondContact O-CB 3.48Å; Q301-E305 WeakPolarHBondContact O-CG 3.2Å; Q301-E305 PolarHBondContact O-N 3.47Å
302	L	93.4	Very high	88.7	Confident	97 Å²	97	108.8 Å²	108.8	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-42.4	175	-73.1	166.6	0	0	0	111.4	L298 Q299 E305 Q306	L298-L302 WeakPolarHBondContact O-CG 3.31Å; L298-L302 PolarHBondContact O-N 3.1Å; Q299-L302 PolarHBondContact O-N 2.92Å; L302-E305 PolarHBondContact O-N 3.41Å; L302-Q306 WeakPolarHBondContact O-CB 3.41Å; L302-Q306 VanDerWaalsContact O-CG 3.24Å; L302-Q306 WeakPolarHBondContact O-CG 3.35Å; L302-Q306 PolarHBondContact O-N 3.49Å
303	E	91.5	Very high	88.1	Confident	98 Å²	98	108.9 Å²	108.9	46%	0.458	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-43.1	175.6	-72.9	167.3	-176	0	0	111.5	Q299 R300 Q301 L307	Q299-E303 WeakPolarHBondContact CG-OE1 3.37Å; Q299-E303 PolarHBondContact NE2-OE1 3.35Å; Q299-E303 WeakPolarHBondContact O-CG 3.47Å; Q299-E303 PolarHBondContact O-N 3.42Å; R300-E303 PolarHBondContact O-N 3.46Å; Q301-E303 VanDerWaalsContact C-N 3.32Å; Q301-E303 PolarHBondContact O-N 3.22Å; E303-L307 WeakPolarHBondContact O-CB 3.37Å; E303-L307 PolarHBondContact O-N 2.91Å
304	K	90.2	Very high	87.5	Confident	118 Å²	118	111 Å²	111	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-66.3	-39.8	175.1	-74.6	-179.9	178.5	-174.2	0	112.8	R300 Q301 L307 R308	R300-K304 WeakPolarHBondContact O-CB 3.45Å; R300-K304 WeakPolarHBondContact O-CG 3.18Å; R300-K304 PolarHBondContact O-N 2.97Å; Q301-K304 PolarHBondContact O-N 2.93Å; K304-L307 PolarHBondContact O-N 3.39Å; K304-R308 WeakPolarHBondContact O-CG 3.49Å; K304-R308 PolarHBondContact O-N 3.47Å
305	E	89.2	Confident	86	Confident	108 Å²	108	109.1 Å²	109.1	51%	0.505	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-43.1	176.1	-78	-177	176	0	0	111.9	Q301 L302 L307 R308 Q309	Q301-E305 WeakPolarHBondContact O-CB 3.48Å; Q301-E305 WeakPolarHBondContact O-CG 3.2Å; Q301-E305 PolarHBondContact O-N 3.47Å; L302-E305 PolarHBondContact O-N 3.41Å; E305-L307 VanDerWaalsContact C-N 3.3Å; E305-L307 PolarHBondContact O-N 3.04Å; E305-R308 PolarHBondContact O-N 3.43Å; E305-Q309 WeakPolarHBondContact O-CG 3.48Å; E305-Q309 PolarHBondContact O-N 3.04Å
306	Q	89.2	Confident	84.7	Confident	130 Å²	130	108 Å²	108	61%	0.607	53%	0.531	S	S	*	.	H	α-helix	trans	-60	-42.6	174.2	-75.3	175.5	4.5	0	0	111.2	L302 Q309 S310	L302-Q306 WeakPolarHBondContact O-CB 3.41Å; L302-Q306 VanDerWaalsContact O-CG 3.24Å; L302-Q306 WeakPolarHBondContact O-CG 3.35Å; L302-Q306 PolarHBondContact O-N 3.49Å; Q306-Q309 PolarHBondContact O-N 3.21Å; Q306-S310 WeakPolarHBondContact O-CB 3.45Å; Q306-S310 PolarHBondContact O-N 2.96Å
307	L	86.6	Confident	83.2	Confident	98 Å²	98	108.5 Å²	108.5	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-43.8	175.6	-172	67.1	0	0	0	111.8	E303 K304 E305 S310 K311	E303-L307 WeakPolarHBondContact O-CB 3.37Å; E303-L307 PolarHBondContact O-N 2.91Å; K304-L307 PolarHBondContact O-N 3.39Å; E305-L307 VanDerWaalsContact C-N 3.3Å; E305-L307 PolarHBondContact O-N 3.04Å; L307-S310 PolarHBondContact O-N 3.35Å; L307-S310 PolarHBondContact O-OG 2.95Å; L307-K311 WeakPolarHBondContact O-CG 3.22Å; L307-K311 PolarHBondContact O-N 3.03Å
308	R	85.3	Confident	81.3	Confident	178 Å²	178	111.8 Å²	111.8	67%	0.672	56%	0.555	S	S	*	*	H	α-helix	trans	-62.5	-46.1	176.2	-75.8	179	177.1	-168.6	-1.1	112.8	K304 E305 S310 K311 E312	K304-R308 WeakPolarHBondContact O-CG 3.49Å; K304-R308 PolarHBondContact O-N 3.47Å; E305-R308 PolarHBondContact O-N 3.43Å; R308-S310 VanDerWaalsContact C-N 3.27Å; R308-S310 PolarHBondContact O-N 3.23Å; R308-K311 PolarHBondContact O-N 3.37Å; R308-K311 VanDerWaalsContact O-N 3.11Å; R308-E312 PolarHBondContact O-N 3.43Å
309	Q	83.6	Confident	79.1	Confident	125 Å²	125	116.5 Å²	116.5	58%	0.584	58%	0.575	S	S	*	*	H	α-helix	trans	-61.5	-37.5	176.5	-72.3	177.4	11.1	0	0	111.7	E305 Q306 K311 E312 A313	E305-Q309 WeakPolarHBondContact O-CG 3.48Å; E305-Q309 PolarHBondContact O-N 3.04Å; Q306-Q309 PolarHBondContact O-N 3.21Å; Q309-K311 VanDerWaalsContact C-N 3.34Å; Q309-E312 PolarHBondContact O-N 3.29Å; Q309-A313 WeakPolarHBondContact O-CB 3.34Å; Q309-A313 PolarHBondContact O-N 3.17Å
310	S	81.5	Confident	77.1	Confident	59 Å²	59	115.2 Å²	115.2	41%	0.413	58%	0.579	S	S	.	*	H	α-helix	trans	-64.4	-37.3	174.6	76.3	0	0	0	0	112.6	Q306 L307 R308	Q306-S310 WeakPolarHBondContact O-CB 3.45Å; Q306-S310 PolarHBondContact O-N 2.96Å; L307-S310 PolarHBondContact O-N 3.35Å; L307-S310 PolarHBondContact O-OG 2.95Å; R308-S310 VanDerWaalsContact C-N 3.27Å; R308-S310 PolarHBondContact O-N 3.23Å
311	K	80.9	Confident	74.9	Confident	102 Å²	102	116.9 Å²	116.9	44%	0.443	59%	0.592	S	S	.	*	H	α-helix	trans	-70.5	-37.6	174.8	-70.1	-176.1	177.7	-169	0	112.8	L307 R308 Q309 D314	L307-K311 WeakPolarHBondContact O-CG 3.22Å; L307-K311 PolarHBondContact O-N 3.03Å; R308-K311 PolarHBondContact O-N 3.37Å; R308-K311 VanDerWaalsContact O-N 3.11Å; Q309-K311 VanDerWaalsContact C-N 3.34Å; K311-D314 CarbonylContact O-C 3.57Å; K311-D314 VanDerWaalsContact O-C 3.29Å; K311-D314 PolarHBondContact O-N 3.31Å
312	E	80.7	Confident	72.6	Confident	155 Å²	155	115.6 Å²	115.6	72%	0.724	60%	0.601	S	S	*	*	H	α-helix	trans	-70.3	-35.8	177.4	-74.4	179.6	-177.7	0	0	113.3	R308 Q309 D314	R308-E312 PolarHBondContact O-N 3.43Å; Q309-E312 PolarHBondContact O-N 3.29Å; E312-D314 PolarHBondContact O-N 3.33Å
313	A	79.4	Confident	70.2	Confident	89 Å²	89	118.2 Å²	118.2	74%	0.736	62%	0.616	S	S	*	*	H	α-helix	trans	-68.2	-23.4	177.9	0	0	0	0	0	113	Q309	Q309-A313 WeakPolarHBondContact O-CB 3.34Å; Q309-A313 PolarHBondContact O-N 3.17Å
314	D	79.4	Confident	68	Low	69 Å²	69	121.9 Å²	121.9	37%	0.369	63%	0.633	S	S	.	*			trans	-138.2	81	177.3	-170.5	3.7	0	0	0	111.9	K311 E312 S316 Q317	K311-D314 CarbonylContact O-C 3.57Å; K311-D314 VanDerWaalsContact O-C 3.29Å; K311-D314 PolarHBondContact O-N 3.31Å; E312-D314 PolarHBondContact O-N 3.33Å; D314-S316 PolarHBondContact O-N 3.21Å; D314-S316 WeakPolarHBondContact OD1-CB 3.41Å; D314-S316 PolarHBondContact OD1-N 2.98Å; D314-S316 PolarHBondContact OD1-OG 3.03Å; D314-Q317 PolarHBondContact O-N 2.92Å
315	P	59.2	Low	65.8	Low	81 Å²	81	122.9 Å²	122.9	53%	0.526	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-63.2	-14	-178.1	-20	30.9	0	0	0	114.1	Q317 E318	P315-Q317 PolarHBondContact O-N 3.36Å; P315-Q317 VanDerWaalsContact O-N 3.09Å; P315-E318 WeakPolarHBondContact O-CB 3.34Å; P315-E318 PolarHBondContact O-N 3.01Å; P315-E318 VanDerWaalsContact O-N 3.07Å
316	S	65.1	Low	63.8	Low	99 Å²	99	124.3 Å²	124.3	69%	0.692	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-65.3	-10.5	177.7	74.2	0	0	0	0	113.1	D314	D314-S316 PolarHBondContact O-N 3.21Å; D314-S316 WeakPolarHBondContact OD1-CB 3.41Å; D314-S316 PolarHBondContact OD1-N 2.98Å; D314-S316 PolarHBondContact OD1-OG 3.03Å
317	Q	58.6	Low	61.6	Low	121 Å²	121	126.3 Å²	126.3	57%	0.565	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-87.4	9.1	171.8	-66.6	-171.5	-5.2	0	0	114.7	D314 P315 Q319	D314-Q317 PolarHBondContact O-N 2.92Å; P315-Q317 PolarHBondContact O-N 3.36Å; P315-Q317 VanDerWaalsContact O-N 3.09Å; Q317-Q319 PolarHBondContact O-N 3.34Å
318	E	50.5	Low	59.9	Low	174 Å²	174	128.7 Å²	128.7	81%	0.813	67%	0.672	S	S	*	*			trans	-64.3	-6.1	177.6	-90.4	-172	160.8	0	0	115.1	P315	P315-E318 WeakPolarHBondContact O-CB 3.34Å; P315-E318 PolarHBondContact O-N 3.01Å; P315-E318 VanDerWaalsContact O-N 3.07Å
319	Q	44.7	Very low	58.2	Low	186 Å²	186	123.7 Å²	123.7	87%	0.869	67%	0.665	S	S	*	*	S	Bend	trans	-107.6	59.1	-172.8	-74.4	-179	-6.4	0	0	114.1	Q317	Q317-Q319 PolarHBondContact O-N 3.34Å
320	S	49.4	Very low	56.7	Low	90 Å²	90	124.4 Å²	124.4	63%	0.629	67%	0.673	S	S	*	*	S	Bend	trans	173.8	134	145.1	53.9	0	0	0	0	109.3
321	E	44.6	Very low	55.5	Low	165 Å²	165	129.3 Å²	129.3	77%	0.771	69%	0.689	S	S	*	*			trans	82.6	50	174.9	-51	172	-167.8	0	0	115.1
322	A	41	Very low	54.6	Low	86 Å²	86	129.8 Å²	129.8	71%	0.711	69%	0.693	S	S	*	*	S	Bend	trans	-88.1	131.8	132.2	0	0	0	0	0	106.4
323	D	44.6	Very low	54.5	Low	152 Å²	152	126.9 Å²	126.9	81%	0.813	68%	0.683	S	S	*	*			trans	85.4	53.5	169.5	-45.6	-27.7	0	0	0	117.8
324	E	43.7	Very low	54.7	Low	175 Å²	175	128.2 Å²	128.2	82%	0.818	68%	0.682	S	S	*	*	S	Bend	trans	-129.3	84.7	146.2	-74.6	-168.9	-177.2	0	0	108.8	D326	E324-D326 PolarHBondContact O-N 2.91Å
325	D	43.6	Very low	55.1	Low	138 Å²	138	126.6 Å²	126.6	74%	0.738	67%	0.671	S	S	*	*			trans	26.4	64.8	145	-57.4	-29.3	0	0	0	117.3	E327	D325-E327 PolarHBondContact O-N 2.91Å
326	D	48.1	Very low	56.6	Low	139 Å²	139	128.7 Å²	128.7	74%	0.743	67%	0.673	S	S	*	*			trans	-71.1	32.5	152.9	-95.2	-13	0	0	0	110.7	E324 E328	E324-D326 PolarHBondContact O-N 2.91Å; D326-E328 PolarHBondContact O-N 3.5Å
327	E	43.5	Very low	58	Low	172 Å²	172	124.9 Å²	124.9	80%	0.804	65%	0.646	S	S	*	*			trans	-70.5	43.9	148.7	-67.4	-170.3	175.9	0	0	109	D325 S329	D325-E327 PolarHBondContact O-N 2.91Å; E327-S329 PolarHBondContact O-N 3.27Å
328	E	50.2	Low	59.7	Low	147 Å²	147	123 Å²	123	69%	0.687	64%	0.638	S	S	*	*			trans	-55.3	99.6	149	-130.8	-172.4	-156.8	0	0	103.1	D326 D330	D326-E328 PolarHBondContact O-N 3.5Å; E328-D330 PolarHBondContact O-N 3.17Å
329	S	49.4	Very low	62	Low	74 Å²	74	114.8 Å²	114.8	52%	0.517	60%	0.599	S	S	.	*			trans	-41.3	120.9	-169.5	58	0	0	0	0	108.4	E327 E331	E327-S329 PolarHBondContact O-N 3.27Å; S329-E331 PolarHBondContact O-N 3.07Å
330	D	53.3	Low	64.5	Low	140 Å²	140	106.1 Å²	106.1	75%	0.749	56%	0.559	S	S	*	*			trans	-65.5	43.3	166.8	-79	-42.9	0	0	0	109.5	E328 E332	E328-D330 PolarHBondContact O-N 3.17Å; D330-E332 PolarHBondContact O-N 3.34Å
331	E	55.1	Low	66.8	Low	162 Å²	162	101.8 Å²	101.8	76%	0.757	53%	0.529	S	S	*	.			trans	-63	93.4	163.8	-80.5	-174.6	-170.9	0	0	105.8	S329 D333	S329-E331 PolarHBondContact O-N 3.07Å; E331-D333 PolarHBondContact O-N 2.91Å
332	E	63.2	Low	69.3	Low	112 Å²	112	94.1 Å²	94.1	52%	0.523	49%	0.493	S	S	.	.			trans	-53.5	111.8	166.7	-60.2	-174.4	168.1	0	0	107.4	R297 D330 T334	R297-E332 IonicContact CZ-OE1 3.42Å; R297-E332 IonicContact CZ-OE2 3.94Å; R297-E332 IonicContact NH1-OE1 3.22Å; R297-E332 PolarHBondContact NH1-OE1 2.98Å; R297-E332 VanDerWaalsContact NH2-CG 3.31Å; R297-E332 IonicContact NH2-OE1 3.82Å; R297-E332 PolarHBondContact NH2-OE1 3.4Å; R297-E332 IonicContact NH2-OE2 2.97Å; R297-E332 PolarHBondContact NH2-OE2 3.21Å; D330-E332 PolarHBondContact O-N 3.34Å; E332-T334 PolarHBondContact O-N 3.44Å; E332-T334 PolarHBondContact O-OG1 3.49Å
333	D	77.3	Confident	71.9	Confident	94 Å²	94	91.1 Å²	91.1	50%	0.503	46%	0.464	S	S	.	.			trans	-42.3	121.8	171.9	-70.1	-35.3	0	0	0	107.9	F289 Q293 K296 E331	F289-D333 WeakPolarHBondContact CE1-O 3.45Å; F289-D333 HydrophobicContact CE2-CB 4.4Å; F289-D333 HydrophobicContact CZ-CB 3.72Å; F289-D333 WeakPolarHBondContact CZ-O 3.45Å; Q293-D333 PolarHBondContact NE2-O 2.97Å; K296-D333 IonicContact NZ-OD2 2.8Å; E331-D333 PolarHBondContact O-N 2.91Å
334	T	83.1	Confident	74.4	Confident	117 Å²	117	84 Å²	84	72%	0.718	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-89.9	139.1	176	-62.6	0	0	0	0	108.2	E332 E336	E332-T334 PolarHBondContact O-N 3.44Å; E332-T334 PolarHBondContact O-OG1 3.49Å; T334-E336 PolarHBondContact O-N 3.33Å; T334-E336 VanDerWaalsContact O-N 3.1Å
335	Y	88.7	Confident	76.8	Confident	35 Å²	35	77.7 Å²	77.7	14%	0.137	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-55.2	121.9	173.6	171.2	-91.5	0	0	0	109.4	L282 K285 Q286 F289 P337 E342	L282-Y335 HydrophobicContact CD1-CD1 4.13Å; L282-Y335 HydrophobicContact CD1-CE1 3.32Å; K285-Y335 HydrophobicContact CB-CE2 3.74Å; K285-Y335 HydrophobicContact CD-CE2 4.14Å; K285-Y335 WeakPolarHBondContact CD-OH 3.32Å; Q286-Y335 HydrophobicContact CG-CD1 4.04Å; Q286-Y335 HydrophobicContact CG-CE1 4.5Å; Q286-Y335 HydrophobicContact CG-CG 4.06Å; F289-Y335 HydrophobicContact CB-CD2 4.33Å; F289-Y335 HydrophobicContact CG-CD2 4.34Å; Y335-P337 HydrophobicContact CD1-CG 4.47Å; Y335-P337 HydrophobicContact CE1-CB 4.49Å; Y335-P337 HydrophobicContact CE1-CG 4.3Å; Y335-P337 WeakPolarHBondContact O-CD 3.48Å; Y335-E342 PolarHBondContact OH-OE2 2.88Å
336	E	90.3	Very high	79.2	Confident	124 Å²	124	73.3 Å²	73.3	58%	0.579	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-92.7	116.2	179.4	-66.4	-173.3	171.3	0	0	111	T334	T334-E336 PolarHBondContact O-N 3.33Å; T334-E336 VanDerWaalsContact O-N 3.1Å
337	P	94.9	Very high	81.2	Confident	19 Å²	19	69.9 Å²	69.9	12%	0.123	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-61.8	143.6	174.4	-24.9	37.4	0	0	0	113.1	Y335 E342 H343 A346	Y335-P337 HydrophobicContact CD1-CG 4.47Å; Y335-P337 HydrophobicContact CE1-CB 4.49Å; Y335-P337 HydrophobicContact CE1-CG 4.3Å; Y335-P337 WeakPolarHBondContact O-CD 3.48Å; P337-E342 HydrophobicContact CB-CB 3.71Å; P337-H343 HydrophobicContact CB-CB 4.31Å; P337-H343 WeakPolarHBondContact CG-ND1 3.45Å; P337-A346 HydrophobicContact CG-CB 4.42Å
338	E	94.4	Very high	83.5	Confident	83 Å²	83	65.9 Å²	65.9	39%	0.388	34%	0.342	S	S	.	.	S	Bend	trans	-97.3	-13	-174.8	-56.3	-166.6	118	0	0	114.2	L151 R163 R167 K285 E342	L151-E338 WeakPolarHBondContact CD2-O 3.34Å; R163-E338 IonicContact NH2-OE1 3.4Å; R163-E338 PolarHBondContact NH2-OE1 2.98Å; R167-E338 PolarHBondContact NH1-O 3.43Å; R167-E338 PolarHBondContact NH2-O 3.43Å; K285-E338 IonicContact NZ-OE2 3.92Å; K285-E338 PolarHBondContact NZ-OE2 3.31Å; E338-E342 PolarHBondContact N-OE2 2.92Å
339	C	97.7	Very high	85.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-147.6	166.1	178.8	70.6	0	0	0	0	111.2	L208 G211 L341 E342 H343	L208-C339 WeakPolarHBondContact O-CA 3.24Å; L208-C339 WeakPolarHBondContact O-CB 3.46Å; G211-C339 PolarHBondContact N-SG 3.19Å; C339-L341 VanDerWaalsContact C-N 3.28Å; C339-L341 PolarHBondContact O-N 3.42Å; C339-E342 PolarHBondContact O-N 3.2Å; C339-E342 VanDerWaalsContact O-N 3.17Å; C339-E342 PolarHBondContact SG-N 3.19Å; C339-E342 VanDerWaalsContact SG-N 3.42Å; C339-H343 PolarHBondContact O-CD2 3.02Å; C339-H343 PolarHBondContact O-N 3.29Å; C339-H343 VanDerWaalsContact O-N 3.07Å
340	I	97.5	Very high	87.1	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-38.3	-179.1	-66.6	177.1	0	0	0	111.8	W147 L148 L151 L208 V209 E342 H343 F344 L367	W147-I340 HydrophobicContact CB-CG1 4.45Å; W147-I340 HydrophobicContact CE3-CG2 3.58Å; W147-I340 HydrophobicContact CZ3-CG2 3.97Å; L148-I340 HydrophobicContact CD2-CD1 4.07Å; L151-I340 HydrophobicContact CD1-CD1 4.46Å; L151-I340 HydrophobicContact CD1-CG1 3.82Å; L208-I340 PolarHBondContact O-N 2.99Å; V209-I340 HydrophobicContact CG2-CD1 4.39Å; I340-E342 PolarHBondContact O-N 3.26Å; I340-H343 WeakPolarHBondContact O-CB 3.34Å; I340-H343 PolarHBondContact O-N 3.45Å; I340-F344 PolarHBondContact O-N 3.25Å; I340-L367 HydrophobicContact CD1-CD1 3.8Å; I340-L367 HydrophobicContact CG2-CD1 3.78Å
341	L	98	Very high	88.8	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-41.5	176.8	176.1	57.7	0	0	0	112.2	V209 F210 I274 V275 C278 C339 F344 L345 L360 L364	V209-L341 VanDerWaalsContact O-CB 3.29Å; V209-L341 WeakPolarHBondContact O-CB 3.27Å; V209-L341 PolarHBondContact O-N 3.09Å; F210-L341 HydrophobicContact CD1-CD2 4.5Å; I274-L341 HydrophobicContact CG2-CD2 3.85Å; V275-L341 HydrophobicContact CG2-CD1 3.86Å; V275-L341 HydrophobicContact CG2-CD2 4.36Å; C278-L341 HydrophobicContact CB-CD2 3.52Å; C278-L341 HydrophobicContact CB-CG 4.02Å; C339-L341 VanDerWaalsContact C-N 3.28Å; C339-L341 PolarHBondContact O-N 3.42Å; L341-F344 PolarHBondContact O-N 2.93Å; L341-L345 HydrophobicContact CD1-CD1 3.95Å; L341-L345 HydrophobicContact CD1-CG 3.99Å; L341-L345 HydrophobicContact CG-CD1 4.12Å; L341-L345 WeakPolarHBondContact O-CB 3.28Å; L341-L345 VanDerWaalsContact O-CG 3.27Å; L341-L345 WeakPolarHBondContact O-CG 3.5Å; L341-L345 PolarHBondContact O-N 2.89Å; L341-L360 HydrophobicContact CD1-CD1 4.17Å; L341-L364 HydrophobicContact CB-CD2 4.22Å; L341-L364 HydrophobicContact CD1-CD1 4.12Å; L341-L364 HydrophobicContact CD1-CD2 4.47Å
342	E	97.6	Very high	90.5	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-41.9	174.7	-74.4	-174.6	-176.2	0	0	111.2	L282 K285 Y335 P337 E338 C339 I340 F344 L345 A346	L282-E342 HydrophobicContact CD1-CB 4.36Å; L282-E342 HydrophobicContact CD1-CG 4.27Å; K285-E342 IonicContact NZ-OE1 3.37Å; K285-E342 PolarHBondContact NZ-OE1 3.49Å; K285-E342 IonicContact NZ-OE2 2.7Å; Y335-E342 PolarHBondContact OH-OE2 2.88Å; P337-E342 HydrophobicContact CB-CB 3.71Å; E338-E342 PolarHBondContact N-OE2 2.92Å; C339-E342 PolarHBondContact O-N 3.2Å; C339-E342 VanDerWaalsContact O-N 3.17Å; C339-E342 PolarHBondContact SG-N 3.19Å; C339-E342 VanDerWaalsContact SG-N 3.42Å; I340-E342 PolarHBondContact O-N 3.26Å; E342-F344 PolarHBondContact O-N 2.93Å; E342-L345 PolarHBondContact O-N 2.99Å; E342-A346 VanDerWaalsContact O-CB 3.29Å; E342-A346 WeakPolarHBondContact O-CB 3.35Å; E342-A346 PolarHBondContact O-N 3.01Å
343	H	96.1	Very high	91.6	Very high	22 Å²	22	59.7 Å²	59.7	10%	0.102	32%	0.318	C	S	.	.	H	α-helix	trans	-56.8	-50.7	174	-83.8	-70.8	0	0	0	111.6	W147 P337 C339 I340 L345 A346 V347	W147-H343 HydrophobicContact CB-CB 4.22Å; W147-H343 AromaticContact CD1-CG 3.63Å; W147-H343 AromaticContact CD1-ND1 3.71Å; W147-H343 HydrophobicContact CD2-CB 3.79Å; W147-H343 HydrophobicContact CG-CB 3.59Å; W147-H343 AromaticContact CG-CG 3.78Å; P337-H343 HydrophobicContact CB-CB 4.31Å; P337-H343 WeakPolarHBondContact CG-ND1 3.45Å; C339-H343 PolarHBondContact O-CD2 3.02Å; C339-H343 PolarHBondContact O-N 3.29Å; C339-H343 VanDerWaalsContact O-N 3.07Å; I340-H343 WeakPolarHBondContact O-CB 3.34Å; I340-H343 PolarHBondContact O-N 3.45Å; H343-L345 VanDerWaalsContact C-N 3.34Å; H343-L345 PolarHBondContact O-N 2.85Å; H343-A346 PolarHBondContact O-N 3.37Å; H343-V347 WeakPolarHBondContact O-CG2 3.1Å; H343-V347 PolarHBondContact O-N 3.36Å; H343-V347 VanDerWaalsContact O-N 3.16Å
344	F	95.9	Very high	92.2	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-47.6	179	-172.5	-73.6	0	0	0	111.3	W147 I340 L341 E342 A346 V347 R348 Y355 L360 L363	W147-F344 HydrophobicContact CH2-CB 3.88Å; W147-F344 AromaticContact CH2-CD2 3.56Å; W147-F344 HydrophobicContact CH2-CD2 3.56Å; W147-F344 HydrophobicContact CH2-CG 4.11Å; W147-F344 HydrophobicContact CZ2-CB 4.38Å; W147-F344 HydrophobicContact CZ3-CB 4.3Å; W147-F344 HydrophobicContact CZ3-CD2 4.09Å; I340-F344 PolarHBondContact O-N 3.25Å; L341-F344 PolarHBondContact O-N 2.93Å; E342-F344 PolarHBondContact O-N 2.93Å; F344-A346 VanDerWaalsContact C-N 3.29Å; F344-A346 PolarHBondContact O-N 2.83Å; F344-V347 PolarHBondContact O-N 3.32Å; F344-R348 HydrophobicContact CD1-CB 4.18Å; F344-R348 HydrophobicContact CE1-CB 4.11Å; F344-R348 HydrophobicContact CE1-CG 4.41Å; F344-R348 WeakPolarHBondContact O-CB 3.5Å; F344-R348 PolarHBondContact O-N 3.39Å; F344-Y355 HydrophobicContact CD1-CD1 4.47Å; F344-Y355 AromaticContact CE1-CD1 3.88Å; F344-Y355 HydrophobicContact CE1-CD1 3.88Å; F344-Y355 AromaticContact CE2-CD1 3.93Å; F344-Y355 HydrophobicContact CE2-CD1 3.93Å; F344-Y355 HydrophobicContact CE2-CE1 4.44Å; F344-Y355 AromaticContact CZ-CD1 3.58Å; F344-Y355 HydrophobicContact CZ-CD1 3.58Å; F344-Y355 HydrophobicContact CZ-CE1 4.47Å; F344-Y355 HydrophobicContact CZ-CG 4.4Å; F344-L360 HydrophobicContact CB-CD1 4.31Å; F344-L360 HydrophobicContact CD1-CD1 3.6Å; F344-L360 HydrophobicContact CD1-CD2 4.15Å; F344-L360 HydrophobicContact CD1-CG 4.34Å; F344-L360 HydrophobicContact CD2-CD1 3.78Å; F344-L360 HydrophobicContact CE1-CB 3.92Å; F344-L360 HydrophobicContact CE1-CD1 3.75Å; F344-L360 HydrophobicContact CE1-CD2 3.93Å; F344-L360 HydrophobicContact CE1-CG 4.07Å; F344-L360 HydrophobicContact CE2-CB 4.26Å; F344-L360 HydrophobicContact CE2-CD1 3.94Å; F344-L360 HydrophobicContact CG-CD1 3.63Å; F344-L360 HydrophobicContact CZ-CB 3.7Å; F344-L360 HydrophobicContact CZ-CD1 3.91Å; F344-L360 HydrophobicContact CZ-CG 4.26Å; F344-L363 HydrophobicContact CD2-CD2 4.01Å; F344-L363 HydrophobicContact CE2-CD2 4.13Å
345	L	95.3	Very high	92.5	Very high	41 Å²	41	53 Å²	53	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-28.8	-178.8	-68.7	177	0	0	0	112.9	V275 C278 L282 L341 E342 H343	V275-L345 HydrophobicContact CG1-CD2 4.23Å; C278-L345 HydrophobicContact CB-CD1 4.16Å; L282-L345 HydrophobicContact CD2-CB 3.74Å; L341-L345 HydrophobicContact CD1-CD1 3.95Å; L341-L345 HydrophobicContact CD1-CG 3.99Å; L341-L345 HydrophobicContact CG-CD1 4.12Å; L341-L345 WeakPolarHBondContact O-CB 3.28Å; L341-L345 VanDerWaalsContact O-CG 3.27Å; L341-L345 WeakPolarHBondContact O-CG 3.5Å; L341-L345 PolarHBondContact O-N 2.89Å; E342-L345 PolarHBondContact O-N 2.99Å; H343-L345 VanDerWaalsContact C-N 3.34Å; H343-L345 PolarHBondContact O-N 2.85Å
346	A	92.7	Very high	92.7	Very high	46 Å²	46	52.8 Å²	52.8	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-74	-33.5	178.1	0	0	0	0	0	113.1	P337 E342 H343 F344	P337-A346 HydrophobicContact CG-CB 4.42Å; E342-A346 VanDerWaalsContact O-CB 3.29Å; E342-A346 WeakPolarHBondContact O-CB 3.35Å; E342-A346 PolarHBondContact O-N 3.01Å; H343-A346 PolarHBondContact O-N 3.37Å; F344-A346 VanDerWaalsContact C-N 3.29Å; F344-A346 PolarHBondContact O-N 2.83Å
347	V	91.3	Very high	92.8	Very high	67 Å²	67	50.3 Å²	50.3	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-105.4	-6.3	-176	-53.1	0	0	0	0	114.2	W147 H343 F344 D349 Y355	W147-V347 HydrophobicContact CZ2-CG2 3.88Å; H343-V347 WeakPolarHBondContact O-CG2 3.1Å; H343-V347 PolarHBondContact O-N 3.36Å; H343-V347 VanDerWaalsContact O-N 3.16Å; F344-V347 PolarHBondContact O-N 3.32Å; V347-D349 PolarHBondContact O-N 3.14Å; V347-Y355 HydrophobicContact CG2-CE1 4.15Å
348	R	91.2	Very high	92.7	Very high	88 Å²	88	52.6 Å²	52.6	33%	0.332	28%	0.281	S	S	.	.			trans	-58.5	124.1	-176.3	155.6	170.7	146.1	165	0.9	111.9	F344 Y355 D357	F344-R348 HydrophobicContact CD1-CB 4.18Å; F344-R348 HydrophobicContact CE1-CB 4.11Å; F344-R348 HydrophobicContact CE1-CG 4.41Å; F344-R348 WeakPolarHBondContact O-CB 3.5Å; F344-R348 PolarHBondContact O-N 3.39Å; R348-Y355 HydrophobicContact CB-CD1 3.83Å; R348-Y355 HydrophobicContact CB-CE1 4.34Å; R348-Y355 HydrophobicContact CB-CG 4.22Å; R348-Y355 HydrophobicContact CG-CD1 4.28Å; R348-Y355 HydrophobicContact CG-CG 4.23Å; R348-D357 IonicContact CZ-OD1 2.83Å; R348-D357 IonicContact NH1-OD1 3.77Å; R348-D357 PolarHBondContact NH1-OD1 3.43Å
349	D	89.9	Confident	92.7	Very high	74 Å²	74	48.7 Å²	48.7	40%	0.396	26%	0.263	S	S	.	.			trans	-90.2	115.7	165.9	175.7	6.8	0	0	0	109.7	V347 D351 S352 Y355	V347-D349 PolarHBondContact O-N 3.14Å; D349-D351 PolarHBondContact O-N 3.03Å; D349-D351 PolarHBondContact OD1-N 2.84Å; D349-S352 PolarHBondContact O-N 3.23Å; D349-S352 WeakPolarHBondContact OD2-CB 3.13Å; D349-Y355 HydrophobicContact CB-CD2 3.9Å; D349-Y355 HydrophobicContact CB-CE2 4.09Å; D349-Y355 WeakPolarHBondContact O-CB 3.2Å
350	T	86.1	Confident	92.6	Very high	103 Å²	103	48.9 Å²	48.9	63%	0.632	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.1	-178.6	48.4	0	0	0	0	114
351	D	87.9	Confident	92.5	Very high	146 Å²	146	50.6 Å²	50.6	78%	0.781	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.8	-178.9	-62.8	-31.2	0	0	0	112.1	D349	D349-D351 PolarHBondContact O-N 3.03Å; D349-D351 PolarHBondContact OD1-N 2.84Å
352	S	90.9	Very high	92.4	Very high	28 Å²	28	51.1 Å²	51.1	20%	0.196	27%	0.272	C	S	.	.			trans	-94.2	128.6	-178.2	175.9	0	0	0	0	112.9	D349 L354 Y355	D349-S352 PolarHBondContact O-N 3.23Å; D349-S352 WeakPolarHBondContact OD2-CB 3.13Å; S352-L354 PolarHBondContact O-N 3.33Å; S352-L354 VanDerWaalsContact O-N 3.13Å; S352-L354 WeakPolarHBondContact OG-CB 3.3Å; S352-L354 PolarHBondContact OG-N 2.82Å; S352-Y355 PolarHBondContact O-N 3.36Å
353	Q	86.3	Confident	92.3	Very high	155 Å²	155	51 Å²	51	72%	0.724	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.5	-18.3	173.1	-64.5	-63	-37.2	0	0	112.9	Y355 C356	Q353-Y355 PolarHBondContact O-N 2.94Å; Q353-C356 PolarHBondContact O-N 3.38Å
354	L	90.2	Very high	92.3	Very high	46 Å²	46	50 Å²	50	24%	0.241	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-70	-16.5	175.8	-57.1	173.9	0	0	0	112.6	I136 H139 S352 Q359	I136-L354 HydrophobicContact CB-CD2 4.47Å; I136-L354 HydrophobicContact CG1-CD2 4.02Å; H139-L354 HydrophobicContact CB-CD1 4.12Å; H139-L354 HydrophobicContact CB-CD2 4.41Å; S352-L354 PolarHBondContact O-N 3.33Å; S352-L354 VanDerWaalsContact O-N 3.13Å; S352-L354 WeakPolarHBondContact OG-CB 3.3Å; S352-L354 PolarHBondContact OG-N 2.82Å; L354-Q359 WeakPolarHBondContact O-CG 3.29Å
355	Y	90.5	Very high	92.3	Very high	23 Å²	23	51.4 Å²	51.4	9%	0.09	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-114.4	18.6	179.1	-69.7	-78.7	0	0	0	113.4	H139 F344 V347 R348 D349 S352 Q353	H139-Y355 AromaticContact CE1-CE1 3.91Å; H139-Y355 AromaticContact CE1-CE2 3.65Å; H139-Y355 AromaticContact CE1-CZ 3.35Å; H139-Y355 PolarHBondContact CE1-OH 2.74Å; H139-Y355 VanDerWaalsContact CE1-OH 3.27Å; H139-Y355 AromaticContact NE2-CE2 3.76Å; H139-Y355 AromaticContact NE2-CZ 3.69Å; H139-Y355 PolarHBondContact NE2-OH 3.45Å; F344-Y355 HydrophobicContact CD1-CD1 4.47Å; F344-Y355 AromaticContact CE1-CD1 3.88Å; F344-Y355 HydrophobicContact CE1-CD1 3.88Å; F344-Y355 AromaticContact CE2-CD1 3.93Å; F344-Y355 HydrophobicContact CE2-CD1 3.93Å; F344-Y355 HydrophobicContact CE2-CE1 4.44Å; F344-Y355 AromaticContact CZ-CD1 3.58Å; F344-Y355 HydrophobicContact CZ-CD1 3.58Å; F344-Y355 HydrophobicContact CZ-CE1 4.47Å; F344-Y355 HydrophobicContact CZ-CG 4.4Å; V347-Y355 HydrophobicContact CG2-CE1 4.15Å; R348-Y355 HydrophobicContact CB-CD1 3.83Å; R348-Y355 HydrophobicContact CB-CE1 4.34Å; R348-Y355 HydrophobicContact CB-CG 4.22Å; R348-Y355 HydrophobicContact CG-CD1 4.28Å; R348-Y355 HydrophobicContact CG-CG 4.23Å; D349-Y355 HydrophobicContact CB-CD2 3.9Å; D349-Y355 HydrophobicContact CB-CE2 4.09Å; D349-Y355 WeakPolarHBondContact O-CB 3.2Å; S352-Y355 PolarHBondContact O-N 3.36Å; Q353-Y355 PolarHBondContact O-N 2.94Å
356	C	92.3	Very high	92.3	Very high	31 Å²	31	50.8 Å²	50.8	21%	0.209	28%	0.276	C	S	.	.			trans	-60.9	155.1	178.3	74.6	0	0	0	0	111.8	Q353 D358 Q359 L360	Q353-C356 PolarHBondContact O-N 3.38Å; C356-D358 PolarHBondContact O-N 3.19Å; C356-Q359 WeakPolarHBondContact O-CA 3.33Å; C356-Q359 WeakPolarHBondContact O-CB 3.35Å; C356-Q359 PolarHBondContact O-N 3.26Å; C356-Q359 PolarHBondContact SG-N 3.37Å; C356-Q359 VanDerWaalsContact SG-N 3.4Å; C356-L360 PolarHBondContact O-N 2.78Å
357	D	92.7	Very high	92.5	Very high	73 Å²	73	49.7 Å²	49.7	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-30.3	-175.3	-64	-21.3	0	0	0	112.5	R348 L360 R361	R348-D357 IonicContact CZ-OD1 2.83Å; R348-D357 IonicContact NH1-OD1 3.77Å; R348-D357 PolarHBondContact NH1-OD1 3.43Å; D357-L360 PolarHBondContact O-N 3.08Å; D357-R361 VanDerWaalsContact CB-NH1 3.33Å; D357-R361 VanDerWaalsContact O-CG 3.24Å; D357-R361 WeakPolarHBondContact O-CG 3.49Å; D357-R361 PolarHBondContact O-N 3.47Å; D357-R361 IonicContact OD2-NH2 3.52Å
358	D	92.9	Very high	92.7	Very high	66 Å²	66	47 Å²	47	35%	0.353	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-41.3	172.8	-79.9	-28.1	0	0	0	111.7	F127 C356 L360 R361 H362	F127-D358 HydrophobicContact CD1-CB 4.5Å; F127-D358 HydrophobicContact CD2-CB 3.96Å; F127-D358 HydrophobicContact CE2-CB 3.96Å; F127-D358 HydrophobicContact CG-CB 4.23Å; F127-D358 HydrophobicContact CZ-CB 4.24Å; C356-D358 PolarHBondContact O-N 3.19Å; D358-L360 VanDerWaalsContact C-N 3.34Å; D358-L360 PolarHBondContact O-N 3.36Å; D358-R361 PolarHBondContact O-N 3.09Å; D358-R361 IonicContact OD1-NH1 2.77Å; D358-R361 PolarHBondContact OD1-NH1 3.18Å; D358-H362 PolarHBondContact O-N 3.17Å; D358-H362 PolarHBondContact O-ND1 3.12Å
359	Q	94.5	Very high	92.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-43.2	174.8	179.9	56.7	21.4	0	0	111.3	F127 G128 I136 L354 C356 L363	F127-Q359 HydrophobicContact CD1-CB 4.18Å; G128-Q359 PolarHBondContact O-NE2 3.36Å; I136-Q359 HydrophobicContact CG2-CG 4.43Å; I136-Q359 VanDerWaalsContact CG2-OE1 3.3Å; L354-Q359 WeakPolarHBondContact O-CG 3.29Å; C356-Q359 WeakPolarHBondContact O-CA 3.33Å; C356-Q359 WeakPolarHBondContact O-CB 3.35Å; C356-Q359 PolarHBondContact O-N 3.26Å; C356-Q359 PolarHBondContact SG-N 3.37Å; C356-Q359 VanDerWaalsContact SG-N 3.4Å; Q359-L363 WeakPolarHBondContact O-CB 3.38Å; Q359-L363 PolarHBondContact O-N 3.48Å
360	L	95.5	Very high	93.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-53.3	175.9	177	55.1	0	0	0	111.7	V275 L341 F344 C356 D357 D358 H362 L363 L364	V275-L360 HydrophobicContact CG1-CD2 3.95Å; V275-L360 HydrophobicContact CG2-CD2 3.93Å; V275-L360 HydrophobicContact CG2-CG 4.46Å; L341-L360 HydrophobicContact CD1-CD1 4.17Å; F344-L360 HydrophobicContact CB-CD1 4.31Å; F344-L360 HydrophobicContact CD1-CD1 3.6Å; F344-L360 HydrophobicContact CD1-CD2 4.15Å; F344-L360 HydrophobicContact CD1-CG 4.34Å; F344-L360 HydrophobicContact CD2-CD1 3.78Å; F344-L360 HydrophobicContact CE1-CB 3.92Å; F344-L360 HydrophobicContact CE1-CD1 3.75Å; F344-L360 HydrophobicContact CE1-CD2 3.93Å; F344-L360 HydrophobicContact CE1-CG 4.07Å; F344-L360 HydrophobicContact CE2-CB 4.26Å; F344-L360 HydrophobicContact CE2-CD1 3.94Å; F344-L360 HydrophobicContact CG-CD1 3.63Å; F344-L360 HydrophobicContact CZ-CB 3.7Å; F344-L360 HydrophobicContact CZ-CD1 3.91Å; F344-L360 HydrophobicContact CZ-CG 4.26Å; C356-L360 PolarHBondContact O-N 2.78Å; D357-L360 PolarHBondContact O-N 3.08Å; D358-L360 VanDerWaalsContact C-N 3.34Å; D358-L360 PolarHBondContact O-N 3.36Å; L360-H362 PolarHBondContact O-N 3.44Å; L360-L363 PolarHBondContact O-N 3.33Å; L360-L364 HydrophobicContact CD1-CD1 3.68Å; L360-L364 HydrophobicContact CD1-CD2 4.37Å; L360-L364 HydrophobicContact CD1-CG 3.88Å; L360-L364 HydrophobicContact CG-CD1 3.97Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.17Å; L360-L364 PolarHBondContact O-N 2.92Å
361	R	95.1	Very high	93.6	Very high	40 Å²	40	38.1 Å²	38.1	15%	0.151	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-45.2	-177.3	-69.5	172	-168.7	114.8	7.5	112.1	H268 D272 D357 D358 A365	H268-R361 WeakPolarHBondContact ND1-CD 3.39Å; D272-R361 IonicContact OD1-CZ 3.35Å; D272-R361 VanDerWaalsContact OD1-CZ 3.22Å; D272-R361 IonicContact OD1-NE 2.69Å; D272-R361 PolarHBondContact OD1-NE 3.1Å; D272-R361 IonicContact OD1-NH2 2.75Å; D272-R361 PolarHBondContact OD1-NH2 3.03Å; D272-R361 IonicContact OD2-CZ 2.77Å; D272-R361 IonicContact OD2-NE 3.77Å; D272-R361 PolarHBondContact OD2-NE 3.21Å; D272-R361 IonicContact OD2-NH2 3.49Å; D272-R361 PolarHBondContact OD2-NH2 2.79Å; D357-R361 VanDerWaalsContact CB-NH1 3.33Å; D357-R361 VanDerWaalsContact O-CG 3.24Å; D357-R361 WeakPolarHBondContact O-CG 3.49Å; D357-R361 PolarHBondContact O-N 3.47Å; D357-R361 IonicContact OD2-NH2 3.52Å; D358-R361 PolarHBondContact O-N 3.09Å; D358-R361 IonicContact OD1-NH1 2.77Å; D358-R361 PolarHBondContact OD1-NH1 3.18Å; R361-A365 WeakPolarHBondContact O-CB 3.4Å; R361-A365 PolarHBondContact O-N 2.84Å
362	H	94.9	Very high	94	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.046	18%	0.179	C	C	.	.	H	α-helix	trans	-72.6	-34.4	179.6	-66.6	83.1	0	0	0	111.8	M124 F127 K264 H268 D358 L360 A365 D366	M124-H362 PolarHBondContact O-CD2 2.98Å; M124-H362 VanDerWaalsContact O-CD2 3.25Å; M124-H362 PolarHBondContact O-NE2 3.42Å; F127-H362 HydrophobicContact CB-CB 3.76Å; K264-H362 WeakPolarHBondContact CE-NE2 3.47Å; K264-H362 PolarHBondContact NZ-NE2 3.37Å; H268-H362 AromaticContact CE1-CE1 3.57Å; H268-H362 AromaticContact NE2-CE1 3.75Å; H268-H362 AromaticContact NE2-NE2 3.99Å; D358-H362 PolarHBondContact O-N 3.17Å; D358-H362 PolarHBondContact O-ND1 3.12Å; L360-H362 PolarHBondContact O-N 3.44Å; H362-A365 PolarHBondContact O-N 2.8Å; H362-D366 VanDerWaalsContact O-CB 3.27Å; H362-D366 WeakPolarHBondContact O-CB 3.36Å; H362-D366 PolarHBondContact O-N 3.25Å
363	L	96.1	Very high	94.1	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-46.8	175.4	-178.7	61.7	0	0	0	111.2	I129 A140 W147 F344 Q359 L360 D366 L367	I129-L363 HydrophobicContact CB-CD1 3.79Å; I129-L363 HydrophobicContact CG2-CD1 4.01Å; A140-L363 HydrophobicContact CB-CD1 4.5Å; W147-L363 HydrophobicContact CH2-CD2 4.43Å; W147-L363 HydrophobicContact CZ3-CD2 3.91Å; F344-L363 HydrophobicContact CD2-CD2 4.01Å; F344-L363 HydrophobicContact CE2-CD2 4.13Å; Q359-L363 WeakPolarHBondContact O-CB 3.38Å; Q359-L363 PolarHBondContact O-N 3.48Å; L360-L363 PolarHBondContact O-N 3.33Å; L363-D366 PolarHBondContact O-N 2.72Å; L363-L367 HydrophobicContact CD1-CD1 4.16Å; L363-L367 HydrophobicContact CD1-CG 4.35Å; L363-L367 HydrophobicContact CG-CD1 4.09Å; L363-L367 VanDerWaalsContact O-CG 3.24Å; L363-L367 WeakPolarHBondContact O-CG 3.43Å; L363-L367 PolarHBondContact O-N 3.41Å
364	L	96.9	Very high	94.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-42.9	176.1	-64.8	170.8	0	0	0	111.7	V209 F210 Y271 V275 L341 L360 L367 F368	V209-L364 HydrophobicContact CG1-CB 4.45Å; V209-L364 HydrophobicContact CG1-CD2 3.69Å; F210-L364 HydrophobicContact CD1-CD1 4.37Å; F210-L364 HydrophobicContact CD1-CD2 4.33Å; F210-L364 HydrophobicContact CE1-CB 3.66Å; F210-L364 HydrophobicContact CE1-CD1 3.91Å; F210-L364 HydrophobicContact CE1-CD2 4.11Å; F210-L364 HydrophobicContact CE1-CG 4.1Å; F210-L364 HydrophobicContact CZ-CB 3.99Å; Y271-L364 HydrophobicContact CD2-CB 4.24Å; Y271-L364 HydrophobicContact CE2-CB 4.11Å; V275-L364 HydrophobicContact CG2-CD1 4.12Å; L341-L364 HydrophobicContact CB-CD2 4.22Å; L341-L364 HydrophobicContact CD1-CD1 4.12Å; L341-L364 HydrophobicContact CD1-CD2 4.47Å; L360-L364 HydrophobicContact CD1-CD1 3.68Å; L360-L364 HydrophobicContact CD1-CD2 4.37Å; L360-L364 HydrophobicContact CD1-CG 3.88Å; L360-L364 HydrophobicContact CG-CD1 3.97Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.17Å; L360-L364 PolarHBondContact O-N 2.92Å; L364-L367 PolarHBondContact O-N 2.87Å; L364-F368 WeakPolarHBondContact O-CB 3.35Å; L364-F368 PolarHBondContact O-N 3.15Å
365	A	94.6	Very high	95	Very high	32 Å²	32	24 Å²	24	26%	0.264	15%	0.146	S	C	.	.	H	α-helix	trans	-60.9	-45.2	176.6	0	0	0	0	0	111.8	Y271 R361 H362 G369	Y271-A365 HydrophobicContact CE2-CB 3.85Å; R361-A365 WeakPolarHBondContact O-CB 3.4Å; R361-A365 PolarHBondContact O-N 2.84Å; H362-A365 PolarHBondContact O-N 2.8Å; A365-G369 PolarHBondContact O-N 3.29Å
366	D	95	Very high	95.3	Very high	29 Å²	29	23.4 Å²	23.4	16%	0.155	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-45.3	-179.4	-80.1	-5.5	0	0	0	111.4	I129 I130 H362 L363 A370	I129-D366 HydrophobicContact CG2-CB 3.74Å; I129-D366 PolarHBondContact N-OD2 2.95Å; I130-D366 WeakPolarHBondContact CB-OD2 3.28Å; I130-D366 HydrophobicContact CD1-CB 3.85Å; I130-D366 HydrophobicContact CG1-CB 3.92Å; I130-D366 PolarHBondContact N-OD2 3.46Å; H362-D366 VanDerWaalsContact O-CB 3.27Å; H362-D366 WeakPolarHBondContact O-CB 3.36Å; H362-D366 PolarHBondContact O-N 3.25Å; L363-D366 PolarHBondContact O-N 2.72Å; D366-A370 WeakPolarHBondContact O-CB 2.99Å; D366-A370 PolarHBondContact O-N 3.49Å
367	L	97.2	Very high	95.6	Very high	23 Å²	23	22 Å²	22	12%	0.12	14%	0.135	C	C	.	.	H	α-helix	trans	-65.9	-44.2	179.6	-68.5	171.1	0	0	0	111.8	T144 V209 I340 L363 L364 G371	T144-L367 HydrophobicContact CG2-CD2 3.66Å; V209-L367 HydrophobicContact CG1-CB 4.43Å; V209-L367 HydrophobicContact CG2-CB 3.98Å; I340-L367 HydrophobicContact CD1-CD1 3.8Å; I340-L367 HydrophobicContact CG2-CD1 3.78Å; L363-L367 HydrophobicContact CD1-CD1 4.16Å; L363-L367 HydrophobicContact CD1-CG 4.35Å; L363-L367 HydrophobicContact CG-CD1 4.09Å; L363-L367 VanDerWaalsContact O-CG 3.24Å; L363-L367 WeakPolarHBondContact O-CG 3.43Å; L363-L367 PolarHBondContact O-N 3.41Å; L364-L367 PolarHBondContact O-N 2.87Å; L367-G371 PolarHBondContact O-N 3.41Å; L367-G371 VanDerWaalsContact O-N 3.12Å
368	F	96.4	Very high	95.8	Very high	9 Å²	9	19 Å²	19	4%	0.039	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-54.3	176	175.3	-96.6	0	0	0	111.7	I205 N206 F210 W221 L364 G371 V372	I205-F368 HydrophobicContact CB-CD2 4.36Å; I205-F368 HydrophobicContact CG2-CB 4.43Å; I205-F368 HydrophobicContact CG2-CD2 3.91Å; N206-F368 VanDerWaalsContact OD1-CD2 3.29Å; N206-F368 WeakPolarHBondContact OD1-CD2 3.08Å; N206-F368 WeakPolarHBondContact OD1-CE2 3.31Å; F210-F368 HydrophobicContact CE2-CB 3.95Å; F210-F368 AromaticContact CE2-CD2 3.98Å; F210-F368 HydrophobicContact CE2-CD2 3.98Å; F210-F368 HydrophobicContact CE2-CG 4.1Å; F210-F368 HydrophobicContact CZ-CB 4.25Å; W221-F368 HydrophobicContact CH2-CE2 4.1Å; W221-F368 AromaticContact CH2-CZ 3.77Å; W221-F368 HydrophobicContact CH2-CZ 3.77Å; W221-F368 AromaticContact CZ3-CE2 3.96Å; W221-F368 HydrophobicContact CZ3-CE2 3.96Å; W221-F368 AromaticContact CZ3-CZ 3.61Å; W221-F368 HydrophobicContact CZ3-CZ 3.61Å; L364-F368 WeakPolarHBondContact O-CB 3.35Å; L364-F368 PolarHBondContact O-N 3.15Å; F368-G371 PolarHBondContact O-N 3.03Å; F368-V372 HydrophobicContact CD2-CG2 4.19Å; F368-V372 HydrophobicContact CE2-CG2 3.83Å; F368-V372 HydrophobicContact CZ-CG2 4.05Å; F368-V372 WeakPolarHBondContact O-CB 3.3Å; F368-V372 WeakPolarHBondContact O-CG2 3.4Å; F368-V372 PolarHBondContact O-N 3.38Å
369	G	93.7	Very high	96.1	Very high	17 Å²	17	15.9 Å²	15.9	18%	0.175	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-52.2	-176.9	0	0	0	0	0	112.3	A365 G371 V372 D373	A365-G369 PolarHBondContact O-N 3.29Å; G369-G371 PolarHBondContact O-N 2.95Å; G369-V372 PolarHBondContact O-N 3.16Å; G369-D373 WeakPolarHBondContact O-CB 3.49Å; G369-D373 PolarHBondContact O-N 2.84Å
370	A	94.8	Very high	96.3	Very high	43 Å²	43	16.5 Å²	16.5	36%	0.355	11%	0.105	S	C	.	.	H	α-helix	trans	-64.4	-41.8	-179.6	0	0	0	0	0	112.3	I130 D366 V372 T374	I130-A370 HydrophobicContact CD1-CB 4.41Å; D366-A370 WeakPolarHBondContact O-CB 2.99Å; D366-A370 PolarHBondContact O-N 3.49Å; A370-V372 VanDerWaalsContact C-N 3.34Å; A370-V372 PolarHBondContact O-N 3.28Å; A370-T374 PolarHBondContact O-OG1 2.93Å
371	G	96.3	Very high	96.5	Very high	20 Å²	20	16.3 Å²	16.3	21%	0.206	10%	0.104	C	C	.	.	H	α-helix	trans	-64.3	-37.2	-179.6	0	0	0	0	0	113.2	L367 F368 G369 S375	L367-G371 PolarHBondContact O-N 3.41Å; L367-G371 VanDerWaalsContact O-N 3.12Å; F368-G371 PolarHBondContact O-N 3.03Å; G369-G371 PolarHBondContact O-N 2.95Å; G371-S375 VanDerWaalsContact O-CB 3.3Å; G371-S375 WeakPolarHBondContact O-CB 3.45Å; G371-S375 PolarHBondContact O-OG 2.7Å
372	V	96.7	Very high	96.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-84.3	-56.3	-179.5	175.3	0	0	0	0	111.8	I205 F368 G369 A370 T374 S375 L376	I205-V372 HydrophobicContact CB-CG2 3.73Å; I205-V372 HydrophobicContact CG1-CG2 3.63Å; I205-V372 HydrophobicContact CG2-CG2 4.12Å; F368-V372 HydrophobicContact CD2-CG2 4.19Å; F368-V372 HydrophobicContact CE2-CG2 3.83Å; F368-V372 HydrophobicContact CZ-CG2 4.05Å; F368-V372 WeakPolarHBondContact O-CB 3.3Å; F368-V372 WeakPolarHBondContact O-CG2 3.4Å; F368-V372 PolarHBondContact O-N 3.38Å; G369-V372 PolarHBondContact O-N 3.16Å; A370-V372 VanDerWaalsContact C-N 3.34Å; A370-V372 PolarHBondContact O-N 3.28Å; V372-T374 PolarHBondContact O-N 3.34Å; V372-S375 PolarHBondContact O-N 2.8Å; V372-L376 WeakPolarHBondContact O-CB 3.28Å; V372-L376 PolarHBondContact O-N 2.92Å
373	D	94.5	Very high	96.8	Very high	27 Å²	27	14.1 Å²	14.1	14%	0.144	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-42.9	-168.6	-75.2	-45.2	0	0	0	112.9	Q228 V232 G369 A377	Q228-D373 VanDerWaalsContact CD-OD1 3.26Å; Q228-D373 WeakPolarHBondContact CG-OD1 3.43Å; Q228-D373 WeakPolarHBondContact CG-OD2 3.47Å; Q228-D373 PolarHBondContact NE2-OD1 3.12Å; Q228-D373 VanDerWaalsContact NE2-OD1 3.16Å; Q228-D373 PolarHBondContact NE2-OD2 3.1Å; V232-D373 VanDerWaalsContact CG2-OD2 3.28Å; V232-D373 WeakPolarHBondContact CG2-OD2 3.47Å; G369-D373 WeakPolarHBondContact O-CB 3.49Å; G369-D373 PolarHBondContact O-N 2.84Å; D373-A377 VanDerWaalsContact O-CB 3.32Å; D373-A377 WeakPolarHBondContact O-CB 3.28Å; D373-A377 PolarHBondContact O-N 2.78Å
374	T	96.4	Very high	96.9	Very high	45 Å²	45	14 Å²	14	28%	0.276	10%	0.095	S	C	.	.	H	α-helix	trans	-70.9	-44.3	-176.4	62.6	0	0	0	0	111.8	A370 V372 A377 T378 V431 V432 T545	A370-T374 PolarHBondContact O-OG1 2.93Å; V372-T374 PolarHBondContact O-N 3.34Å; T374-A377 PolarHBondContact O-N 3.38Å; T374-T378 WeakPolarHBondContact O-CB 3.44Å; T374-T378 PolarHBondContact O-N 2.92Å; T374-T378 PolarHBondContact O-OG1 3.48Å; T374-V431 HydrophobicContact CG2-CG1 4.27Å; T374-V432 HydrophobicContact CG2-CG2 4.33Å; T374-T545 HydrophobicContact CG2-CG2 4.3Å
375	S	98.2	Very high	97	Very high	5 Å²	5	14 Å²	14	4%	0.035	10%	0.095	C	C	.	.	H	α-helix	trans	-67.1	-41.3	177.7	-55.7	0	0	0	0	110.9	G371 V372 T378 L379	G371-S375 VanDerWaalsContact O-CB 3.3Å; G371-S375 WeakPolarHBondContact O-CB 3.45Å; G371-S375 PolarHBondContact O-OG 2.7Å; V372-S375 PolarHBondContact O-N 2.8Å; S375-T378 PolarHBondContact O-N 3.25Å; S375-L379 WeakPolarHBondContact O-CB 3.28Å; S375-L379 VanDerWaalsContact O-CG 3.28Å; S375-L379 WeakPolarHBondContact O-CG 3.19Å; S375-L379 PolarHBondContact O-N 2.93Å
376	L	97.4	Very high	97.2	Very high	11 Å²	11	12.5 Å²	12.5	6%	0.058	8%	0.082	C	C	.	.	H	α-helix	trans	-62.2	-46	176.7	-177.6	59.7	0	0	0	111.6	L194 L197 H198 L201 V372 T378 L379 R380	L194-L376 HydrophobicContact CD1-CD1 4.15Å; L194-L376 HydrophobicContact CD1-CD2 3.7Å; L194-L376 HydrophobicContact CD1-CG 4.14Å; L197-L376 HydrophobicContact CB-CD1 3.34Å; L197-L376 HydrophobicContact CD1-CD1 4.23Å; L197-L376 HydrophobicContact CG-CD1 4.4Å; H198-L376 HydrophobicContact CB-CD1 4.49Å; H198-L376 HydrophobicContact CB-CD2 3.99Å; L201-L376 HydrophobicContact CD2-CB 3.99Å; V372-L376 WeakPolarHBondContact O-CB 3.28Å; V372-L376 PolarHBondContact O-N 2.92Å; L376-T378 VanDerWaalsContact C-N 3.33Å; L376-T378 PolarHBondContact O-N 3.37Å; L376-L379 PolarHBondContact O-N 2.98Å; L376-R380 HydrophobicContact CD1-CG 4.3Å; L376-R380 WeakPolarHBondContact O-CB 3.15Å; L376-R380 VanDerWaalsContact O-CG 3.26Å; L376-R380 WeakPolarHBondContact O-CG 3.33Å; L376-R380 PolarHBondContact O-N 3.1Å
377	A	97.3	Very high	97.3	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.017	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-46.2	175	0	0	0	0	0	111.3	D373 T374 R380 W381 V431 T547	D373-A377 VanDerWaalsContact O-CB 3.32Å; D373-A377 WeakPolarHBondContact O-CB 3.28Å; D373-A377 PolarHBondContact O-N 2.78Å; T374-A377 PolarHBondContact O-N 3.38Å; A377-R380 PolarHBondContact O-N 3.11Å; A377-W381 WeakPolarHBondContact O-CB 3.48Å; A377-W381 PolarHBondContact O-N 3.46Å; A377-V431 HydrophobicContact CB-CG1 3.8Å; A377-V431 HydrophobicContact CB-CG2 4.06Å; A377-T547 HydrophobicContact CB-CG2 3.9Å
378	T	98.7	Very high	97.3	Very high	10 Å²	10	16 Å²	16	6%	0.061	9%	0.092	C	C	.	.	H	α-helix	trans	-61.7	-47.6	178.8	-54.2	0	0	0	0	111.6	T374 S375 L376 R380 W381 F382 T425 M426 V431 L515	T374-T378 WeakPolarHBondContact O-CB 3.44Å; T374-T378 PolarHBondContact O-N 2.92Å; T374-T378 PolarHBondContact O-OG1 3.48Å; S375-T378 PolarHBondContact O-N 3.25Å; L376-T378 VanDerWaalsContact C-N 3.33Å; L376-T378 PolarHBondContact O-N 3.37Å; T378-R380 PolarHBondContact O-N 3.17Å; T378-W381 PolarHBondContact O-N 3.44Å; T378-F382 WeakPolarHBondContact O-CB 3.25Å; T378-F382 PolarHBondContact O-N 3.05Å; T378-T425 HydrophobicContact CG2-CG2 4.49Å; T378-M426 HydrophobicContact CG2-CG 3.65Å; T378-M426 HydrophobicContact CG2-SD 4.27Å; T378-V431 WeakPolarHBondContact OG1-CG2 3.49Å; T378-L515 HydrophobicContact CG2-CD1 3.89Å; T378-L515 HydrophobicContact CG2-CD2 3.72Å; T378-L515 HydrophobicContact CG2-CG 4.47Å
379	L	98.8	Very high	97.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-43.9	178.9	-71.8	173.8	0	0	0	111.5	L197 L201 S375 L376 F382 L383 L515 F518 T519	L197-L379 HydrophobicContact CD1-CB 4.26Å; L197-L379 HydrophobicContact CD2-CB 4.34Å; L197-L379 HydrophobicContact CD2-CD1 4.04Å; L201-L379 HydrophobicContact CD2-CD1 4.45Å; S375-L379 WeakPolarHBondContact O-CB 3.28Å; S375-L379 VanDerWaalsContact O-CG 3.28Å; S375-L379 WeakPolarHBondContact O-CG 3.19Å; S375-L379 PolarHBondContact O-N 2.93Å; L376-L379 PolarHBondContact O-N 2.98Å; L379-F382 WeakPolarHBondContact O-CB 3.38Å; L379-F382 PolarHBondContact O-N 3.06Å; L379-L383 VanDerWaalsContact O-CG 3.29Å; L379-L383 WeakPolarHBondContact O-CG 3.31Å; L379-L383 PolarHBondContact O-N 2.86Å; L379-L515 HydrophobicContact CD2-CD2 3.68Å; L379-L515 HydrophobicContact CG-CD2 3.74Å; L379-F518 HydrophobicContact CD1-CB 3.94Å; L379-F518 HydrophobicContact CD1-CD1 4.01Å; L379-F518 HydrophobicContact CD1-CD2 3.89Å; L379-F518 HydrophobicContact CD1-CE1 4.5Å; L379-F518 HydrophobicContact CD1-CE2 4.41Å; L379-F518 HydrophobicContact CD1-CG 3.68Å; L379-F518 HydrophobicContact CD2-CB 3.52Å; L379-F518 HydrophobicContact CD2-CG 4.23Å; L379-F518 HydrophobicContact CG-CB 4.4Å; L379-T519 HydrophobicContact CD2-CG2 3.75Å
380	R	98.4	Very high	97.5	Very high	15 Å²	15	19.1 Å²	19.1	6%	0.057	10%	0.102	C	C	.	.	H	α-helix	trans	-64.8	-42.7	177.6	-68.8	175.6	65.7	-141.7	-8	111.8	L197 L376 A377 T378 F382 L384 P548 T549	L197-R380 HydrophobicContact CD1-CG 3.72Å; L376-R380 HydrophobicContact CD1-CG 4.3Å; L376-R380 WeakPolarHBondContact O-CB 3.15Å; L376-R380 VanDerWaalsContact O-CG 3.26Å; L376-R380 WeakPolarHBondContact O-CG 3.33Å; L376-R380 PolarHBondContact O-N 3.1Å; A377-R380 PolarHBondContact O-N 3.11Å; T378-R380 PolarHBondContact O-N 3.17Å; R380-F382 VanDerWaalsContact C-N 3.33Å; R380-L384 VanDerWaalsContact O-CB 3.26Å; R380-L384 WeakPolarHBondContact O-CB 3.29Å; R380-L384 PolarHBondContact O-N 3.14Å; R380-P548 HydrophobicContact CB-CG 3.76Å; R380-P548 PolarHBondContact NH1-O 3.3Å; R380-P548 PolarHBondContact NH2-O 3.42Å; R380-T549 PolarHBondContact NH2-O 3.24Å
381	W	98.7	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.6	-43.5	172.6	-80.7	124	0	0	0	111.7	A377 T378 L384 Y385 T425 R429 M538 L546 P548	A377-W381 WeakPolarHBondContact O-CB 3.48Å; A377-W381 PolarHBondContact O-N 3.46Å; T378-W381 PolarHBondContact O-N 3.44Å; W381-L384 HydrophobicContact CE3-CD2 4.1Å; W381-L384 HydrophobicContact CZ3-CD2 3.92Å; W381-L384 PolarHBondContact O-N 3.26Å; W381-Y385 HydrophobicContact CE3-CD2 4.26Å; W381-Y385 AromaticContact CE3-CE2 3.88Å; W381-Y385 HydrophobicContact CE3-CE2 3.88Å; W381-Y385 HydrophobicContact CZ3-CE2 4.44Å; W381-Y385 WeakPolarHBondContact O-CB 3.49Å; W381-Y385 VanDerWaalsContact O-CD2 3.31Å; W381-Y385 WeakPolarHBondContact O-CD2 3.48Å; W381-Y385 PolarHBondContact O-N 3.44Å; W381-T425 HydrophobicContact CB-CG2 3.53Å; W381-R429 HydrophobicContact CD2-CB 3.84Å; W381-R429 HydrophobicContact CD2-CG 3.61Å; W381-R429 HydrophobicContact CE3-CG 3.8Å; W381-R429 HydrophobicContact CG-CB 3.87Å; W381-R429 HydrophobicContact CG-CG 4.13Å; W381-R429 HydrophobicContact CH2-CG 4.25Å; W381-R429 HydrophobicContact CZ2-CB 4.5Å; W381-R429 HydrophobicContact CZ2-CG 4.07Å; W381-R429 HydrophobicContact CZ3-CG 4.12Å; W381-M538 HydrophobicContact CZ3-CE 4.49Å; W381-L546 HydrophobicContact CZ2-CG 4.29Å; W381-L546 PolarHBondContact NE1-O 3.49Å; W381-P548 HydrophobicContact CB-CG 4.49Å; W381-P548 HydrophobicContact CD2-CB 4.37Å; W381-P548 HydrophobicContact CD2-CG 3.5Å; W381-P548 VanDerWaalsContact CD2-CG 3.5Å; W381-P548 HydrophobicContact CE3-CB 4.34Å; W381-P548 HydrophobicContact CE3-CG 3.85Å; W381-P548 HydrophobicContact CG-CG 3.79Å; W381-P548 HydrophobicContact CH2-CB 4.27Å; W381-P548 HydrophobicContact CH2-CG 4.36Å; W381-P548 HydrophobicContact CZ2-CB 4.31Å; W381-P548 HydrophobicContact CZ2-CG 4.08Å; W381-P548 HydrophobicContact CZ3-CB 4.29Å; W381-P548 HydrophobicContact CZ3-CG 4.26Å
382	F	98.9	Very high	97.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-54.1	179.2	-180	-85.4	0	0	0	110.7	T378 L379 R380 L384 Y385 L386 L396 L418 C421 I422 T425 T519 L523	T378-F382 WeakPolarHBondContact O-CB 3.25Å; T378-F382 PolarHBondContact O-N 3.05Å; L379-F382 WeakPolarHBondContact O-CB 3.38Å; L379-F382 PolarHBondContact O-N 3.06Å; R380-F382 VanDerWaalsContact C-N 3.33Å; F382-L384 VanDerWaalsContact C-N 3.28Å; F382-L384 PolarHBondContact O-N 3.15Å; F382-Y385 PolarHBondContact O-N 3.4Å; F382-L386 HydrophobicContact CD1-CD2 4.09Å; F382-L386 HydrophobicContact CD1-CG 4.45Å; F382-L386 HydrophobicContact CD2-CD2 3.84Å; F382-L386 HydrophobicContact CE1-CD2 3.95Å; F382-L386 HydrophobicContact CE1-CG 3.99Å; F382-L386 HydrophobicContact CE2-CD2 3.71Å; F382-L386 HydrophobicContact CE2-CG 4.43Å; F382-L386 HydrophobicContact CG-CD2 4.03Å; F382-L386 HydrophobicContact CZ-CD2 3.76Å; F382-L386 HydrophobicContact CZ-CG 3.98Å; F382-L386 WeakPolarHBondContact O-CB 3.29Å; F382-L386 WeakPolarHBondContact O-CD2 3.2Å; F382-L386 PolarHBondContact O-N 2.79Å; F382-L396 HydrophobicContact CZ-CD1 4.15Å; F382-L418 HydrophobicContact CZ-CD1 4.17Å; F382-C421 HydrophobicContact CE2-CB 3.83Å; F382-I422 HydrophobicContact CD2-CG1 4.08Å; F382-I422 HydrophobicContact CE2-CG1 3.78Å; F382-T425 HydrophobicContact CB-CG2 4Å; F382-T519 HydrophobicContact CB-CG2 4.33Å; F382-T519 HydrophobicContact CD1-CG2 3.36Å; F382-T519 HydrophobicContact CD2-CG2 3.89Å; F382-T519 VanDerWaalsContact CE1-CB 3.46Å; F382-T519 HydrophobicContact CE1-CG2 3.46Å; F382-T519 VanDerWaalsContact CE1-CG2 3.46Å; F382-T519 HydrophobicContact CE2-CG2 3.96Å; F382-T519 HydrophobicContact CG-CG2 3.59Å; F382-T519 HydrophobicContact CZ-CG2 3.77Å; F382-L523 HydrophobicContact CE1-CD1 3.58Å; F382-L523 HydrophobicContact CE1-CG 4.18Å; F382-L523 HydrophobicContact CZ-CD1 3.77Å
383	L	98.7	Very high	97.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-41.6	179.7	-62.5	177.6	0	0	0	111.5	P193 L197 L379 L386 A387 I522 L528 L553	P193-L383 HydrophobicContact CB-CD1 4.01Å; L197-L383 HydrophobicContact CD1-CD1 3.96Å; L379-L383 VanDerWaalsContact O-CG 3.29Å; L379-L383 WeakPolarHBondContact O-CG 3.31Å; L379-L383 PolarHBondContact O-N 2.86Å; L383-L386 PolarHBondContact O-N 2.9Å; L383-A387 VanDerWaalsContact O-CB 3.24Å; L383-A387 WeakPolarHBondContact O-CB 3.5Å; L383-A387 PolarHBondContact O-N 3.05Å; L383-I522 HydrophobicContact CD2-CD1 4.36Å; L383-I522 HydrophobicContact CD2-CG2 3.78Å; L383-L528 HydrophobicContact CB-CD1 4.16Å; L383-L528 HydrophobicContact CD2-CD1 3.55Å; L383-L528 HydrophobicContact CG-CD1 4.41Å; L383-L553 HydrophobicContact CB-CD1 3.76Å
384	L	98.3	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-46.8	178.8	179	57.8	0	0	0	112.4	R380 W381 F382 A387 R388 L530 V536 M538 P548 L553	R380-L384 VanDerWaalsContact O-CB 3.26Å; R380-L384 WeakPolarHBondContact O-CB 3.29Å; R380-L384 PolarHBondContact O-N 3.14Å; W381-L384 HydrophobicContact CE3-CD2 4.1Å; W381-L384 HydrophobicContact CZ3-CD2 3.92Å; W381-L384 PolarHBondContact O-N 3.26Å; F382-L384 VanDerWaalsContact C-N 3.28Å; F382-L384 PolarHBondContact O-N 3.15Å; L384-A387 PolarHBondContact O-N 3.05Å; L384-R388 PolarHBondContact O-N 2.69Å; L384-L530 HydrophobicContact CD1-CD2 3.77Å; L384-V536 HydrophobicContact CD1-CB 4.35Å; L384-V536 HydrophobicContact CD1-CG1 3.66Å; L384-V536 HydrophobicContact CD2-CG1 4.16Å; L384-M538 HydrophobicContact CD1-SD 4.21Å; L384-M538 HydrophobicContact CD2-CE 4.42Å; L384-M538 HydrophobicContact CD2-SD 3.74Å; L384-M538 HydrophobicContact CG-CE 4.26Å; L384-M538 HydrophobicContact CG-SD 3.76Å; L384-P548 HydrophobicContact CD2-CB 4.16Å; L384-L553 HydrophobicContact CD1-CD2 4.07Å
385	Y	98.4	Very high	98.2	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.5	-90.9	-73.9	0	0	0	111.8	W381 F382 A387 R388 E389 I428 R429 F477 M538	W381-Y385 HydrophobicContact CE3-CD2 4.26Å; W381-Y385 AromaticContact CE3-CE2 3.88Å; W381-Y385 HydrophobicContact CE3-CE2 3.88Å; W381-Y385 HydrophobicContact CZ3-CE2 4.44Å; W381-Y385 WeakPolarHBondContact O-CB 3.49Å; W381-Y385 VanDerWaalsContact O-CD2 3.31Å; W381-Y385 WeakPolarHBondContact O-CD2 3.48Å; W381-Y385 PolarHBondContact O-N 3.44Å; F382-Y385 PolarHBondContact O-N 3.4Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; Y385-A387 PolarHBondContact O-N 3.27Å; Y385-R388 PolarHBondContact O-N 2.79Å; Y385-E389 HydrophobicContact CD1-CG 4.41Å; Y385-E389 VanDerWaalsContact O-CB 3.27Å; Y385-E389 WeakPolarHBondContact O-CB 3.29Å; Y385-E389 WeakPolarHBondContact O-CG 3.44Å; Y385-E389 PolarHBondContact O-N 2.96Å; Y385-I428 HydrophobicContact CD2-CG2 4.34Å; Y385-I428 HydrophobicContact CE1-CD1 3.89Å; Y385-I428 HydrophobicContact CE1-CG2 4.37Å; Y385-I428 HydrophobicContact CE2-CG2 3.68Å; Y385-I428 WeakPolarHBondContact OH-CD1 3.05Å; Y385-R429 HydrophobicContact CE2-CG 3.7Å; Y385-R429 PolarHBondContact OH-NE 3.27Å; Y385-R429 PolarHBondContact OH-NH1 3.36Å; Y385-R429 PolarHBondContact OH-NH2 3.34Å; Y385-R429 VanDerWaalsContact OH-NH2 3.13Å; Y385-F477 HydrophobicContact CD1-CB 3.81Å; Y385-F477 AromaticContact CD1-CD2 3.37Å; Y385-F477 HydrophobicContact CD1-CD2 3.37Å; Y385-F477 HydrophobicContact CD1-CE2 4.16Å; Y385-F477 AromaticContact CD1-CG 3.75Å; Y385-F477 HydrophobicContact CD1-CG 3.75Å; Y385-F477 HydrophobicContact CD2-CD2 4.18Å; Y385-F477 HydrophobicContact CD2-CE2 4.32Å; Y385-F477 HydrophobicContact CE1-CB 4.02Å; Y385-F477 AromaticContact CE1-CD2 3.89Å; Y385-F477 HydrophobicContact CE1-CD2 3.89Å; Y385-F477 HydrophobicContact CE1-CG 4.33Å; Y385-F477 AromaticContact CG-CD2 3.53Å; Y385-F477 HydrophobicContact CG-CD2 3.53Å; Y385-F477 AromaticContact CG-CE2 3.83Å; Y385-F477 HydrophobicContact CG-CE2 3.83Å; Y385-F477 HydrophobicContact CG-CG 4.25Å; Y385-M538 HydrophobicContact CD1-CE 3.68Å; Y385-M538 HydrophobicContact CD2-CE 4.04Å; Y385-M538 HydrophobicContact CE1-CE 3.41Å; Y385-M538 VanDerWaalsContact CE1-CE 3.41Å; Y385-M538 HydrophobicContact CE2-CE 3.76Å; Y385-M538 HydrophobicContact CG-CE 3.99Å; Y385-M538 VanDerWaalsContact CZ-CE 3.45Å
386	L	98.4	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-70.1	-32.8	179.7	-83.8	-59.7	0	0	0	111.6	F382 L383 R388 C392 Q393 L396 F477 L523	F382-L386 HydrophobicContact CD1-CD2 4.09Å; F382-L386 HydrophobicContact CD1-CG 4.45Å; F382-L386 HydrophobicContact CD2-CD2 3.84Å; F382-L386 HydrophobicContact CE1-CD2 3.95Å; F382-L386 HydrophobicContact CE1-CG 3.99Å; F382-L386 HydrophobicContact CE2-CD2 3.71Å; F382-L386 HydrophobicContact CE2-CG 4.43Å; F382-L386 HydrophobicContact CG-CD2 4.03Å; F382-L386 HydrophobicContact CZ-CD2 3.76Å; F382-L386 HydrophobicContact CZ-CG 3.98Å; F382-L386 WeakPolarHBondContact O-CB 3.29Å; F382-L386 WeakPolarHBondContact O-CD2 3.2Å; F382-L386 PolarHBondContact O-N 2.79Å; L383-L386 PolarHBondContact O-N 2.9Å; L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.18Å; L386-C392 HydrophobicContact CD1-CB 3.83Å; L386-Q393 VanDerWaalsContact C-NE2 3.32Å; L386-Q393 HydrophobicContact CB-CB 4.5Å; L386-Q393 HydrophobicContact CB-CG 4.4Å; L386-Q393 HydrophobicContact CD1-CB 4.08Å; L386-Q393 PolarHBondContact O-NE2 3.09Å; L386-L396 HydrophobicContact CD1-CD1 3.81Å; L386-L396 HydrophobicContact CG-CD1 4.31Å; L386-F477 HydrophobicContact CD2-CE1 4.36Å; L386-F477 HydrophobicContact CD2-CZ 4.04Å; L386-L523 HydrophobicContact CG-CD1 4.3Å
387	A	97.8	Very high	98.2	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-29.2	171.8	0	0	0	0	0	113.2	L383 L384 Y385 Q390 L528 L530 L553	L383-A387 VanDerWaalsContact O-CB 3.24Å; L383-A387 WeakPolarHBondContact O-CB 3.5Å; L383-A387 PolarHBondContact O-N 3.05Å; L384-A387 PolarHBondContact O-N 3.05Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; Y385-A387 PolarHBondContact O-N 3.27Å; A387-Q390 PolarHBondContact O-NE2 3.42Å; A387-L528 HydrophobicContact CB-CB 3.94Å; A387-L530 HydrophobicContact CB-CD2 4.05Å; A387-L553 HydrophobicContact CB-CD1 4.42Å; A387-L553 HydrophobicContact CB-CD2 3.7Å
388	R	96.8	Very high	98.2	Very high	121 Å²	121	40 Å²	40	46%	0.457	16%	0.164	S	C	.	.	H	α-helix	trans	-81.1	-47.6	174	-176.3	-177.9	173.3	-170.4	-3.1	112	L384 Y385 L386 Q390 L530	L384-R388 PolarHBondContact O-N 2.69Å; Y385-R388 PolarHBondContact O-N 2.79Å; L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.18Å; R388-Q390 PolarHBondContact O-N 3.12Å; R388-L530 HydrophobicContact CB-CD1 4.14Å; R388-L530 HydrophobicContact CG-CD1 4.27Å
389	E	97.3	Very high	98.1	Very high	56 Å²	56	42.8 Å²	42.8	26%	0.262	18%	0.178	S	C	.	.			trans	-94.2	70.3	-170.9	-56.8	-57.5	153.7	0	0	111.2	Y385 R391 C392 Q393 F477	Y385-E389 HydrophobicContact CD1-CG 4.41Å; Y385-E389 VanDerWaalsContact O-CB 3.27Å; Y385-E389 WeakPolarHBondContact O-CB 3.29Å; Y385-E389 WeakPolarHBondContact O-CG 3.44Å; Y385-E389 PolarHBondContact O-N 2.96Å; E389-R391 PolarHBondContact O-N 3.4Å; E389-R391 VanDerWaalsContact O-N 3.08Å; E389-C392 HydrophobicContact CB-CB 4.34Å; E389-C392 WeakPolarHBondContact O-CB 3.47Å; E389-C392 PolarHBondContact O-N 2.85Å; E389-Q393 PolarHBondContact O-N 2.79Å; E389-F477 HydrophobicContact CB-CD1 4.37Å; E389-F477 HydrophobicContact CG-CB 3.95Å; E389-F477 HydrophobicContact CG-CD1 4.17Å; E389-F477 HydrophobicContact CG-CG 4.23Å
390	Q	97.9	Very high	98	Very high	36 Å²	36	42.8 Å²	42.8	17%	0.168	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-29.3	-173.7	-68.9	-61.5	-36.9	0	0	114.1	A387 R388 Q393 R394 H527 L528	A387-Q390 PolarHBondContact O-NE2 3.42Å; R388-Q390 PolarHBondContact O-N 3.12Å; Q390-Q393 PolarHBondContact O-N 3.15Å; Q390-R394 VanDerWaalsContact O-CG 3.3Å; Q390-R394 WeakPolarHBondContact O-CG 3.26Å; Q390-R394 PolarHBondContact O-N 3.16Å; Q390-H527 PolarHBondContact OE1-CE1 3.3Å; Q390-L528 PolarHBondContact NE2-O 3.19Å
391	R	98.3	Very high	97.8	Very high	193 Å²	193	44.2 Å²	44.2	73%	0.728	19%	0.187	S	C	*	.	H	α-helix	trans	-60.4	-46.7	173.4	178.8	-176.1	171.4	-171.8	-2.8	111.7	E389 R395	E389-R391 PolarHBondContact O-N 3.4Å; E389-R391 VanDerWaalsContact O-N 3.08Å; R391-R395 PolarHBondContact O-N 2.82Å
392	C	98.7	Very high	97.6	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-40.6	179.6	-60.7	0	0	0	0	110.6	L386 E389 R395 L396 F477	L386-C392 HydrophobicContact CD1-CB 3.83Å; E389-C392 HydrophobicContact CB-CB 4.34Å; E389-C392 WeakPolarHBondContact O-CB 3.47Å; E389-C392 PolarHBondContact O-N 2.85Å; C392-R395 PolarHBondContact O-N 3.31Å; C392-L396 PolarHBondContact O-N 2.79Å; C392-F477 HydrophobicContact CB-CE1 4.33Å
393	Q	98.7	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-45.6	179.5	-160.6	-171.7	131.2	0	0	112.6	L386 E389 Q390 R395 L396 H397 L523 H527 L528	L386-Q393 VanDerWaalsContact C-NE2 3.32Å; L386-Q393 HydrophobicContact CB-CB 4.5Å; L386-Q393 HydrophobicContact CB-CG 4.4Å; L386-Q393 HydrophobicContact CD1-CB 4.08Å; L386-Q393 PolarHBondContact O-NE2 3.09Å; E389-Q393 PolarHBondContact O-N 2.79Å; Q390-Q393 PolarHBondContact O-N 3.15Å; Q393-R395 VanDerWaalsContact C-N 3.34Å; Q393-R395 PolarHBondContact O-N 3Å; Q393-L396 WeakPolarHBondContact O-CB 3.19Å; Q393-L396 PolarHBondContact O-N 3.41Å; Q393-L396 VanDerWaalsContact O-N 3.11Å; Q393-H397 PolarHBondContact O-N 2.84Å; Q393-H397 PolarHBondContact OE1-CE1 3.01Å; Q393-L523 HydrophobicContact CG-CD2 4.16Å; Q393-H527 PolarHBondContact OE1-ND1 3.47Å; Q393-L528 PolarHBondContact NE2-O 3.07Å
394	R	98.5	Very high	97.1	Very high	152 Å²	152	49.8 Å²	49.8	57%	0.574	23%	0.227	S	C	*	.	H	α-helix	trans	-60.3	-43.7	177.4	-71.1	174.9	-160	150	4.5	112	Q390 L396 H397 E398	Q390-R394 VanDerWaalsContact O-CG 3.3Å; Q390-R394 WeakPolarHBondContact O-CG 3.26Å; Q390-R394 PolarHBondContact O-N 3.16Å; R394-L396 VanDerWaalsContact C-N 3.28Å; R394-L396 PolarHBondContact O-N 2.95Å; R394-H397 WeakPolarHBondContact O-CB 3.38Å; R394-H397 PolarHBondContact O-N 2.92Å; R394-E398 WeakPolarHBondContact O-CG 3.49Å; R394-E398 PolarHBondContact O-N 3.06Å
395	R	98.1	Very high	96.7	Very high	91 Å²	91	53.8 Å²	53.8	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-62.7	-34.1	175.6	-178.2	172.8	171	-164.5	3.3	112.4	R391 C392 Q393 Y417 E480	R391-R395 PolarHBondContact O-N 2.82Å; C392-R395 PolarHBondContact O-N 3.31Å; Q393-R395 VanDerWaalsContact C-N 3.34Å; Q393-R395 PolarHBondContact O-N 3Å; R395-Y417 HydrophobicContact CB-CD1 4.19Å; R395-Y417 HydrophobicContact CB-CE1 3.67Å; R395-Y417 VanDerWaalsContact CD-CE1 3.47Å; R395-Y417 VanDerWaalsContact CD-CZ 3.48Å; R395-Y417 HydrophobicContact CG-CD1 3.66Å; R395-Y417 HydrophobicContact CG-CE1 3.51Å; R395-Y417 HydrophobicContact CG-CG 4.36Å; R395-E480 IonicContact NH1-OE1 3.51Å; R395-E480 PolarHBondContact NH1-OE1 2.84Å; R395-E480 VanDerWaalsContact NH1-OE1 3.1Å
396	L	98	Very high	96.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-39.9	170.5	-73.6	176.1	0	0	0	112.2	F382 L386 C392 Q393 R394 E398 L399 L400 Y417 L418 C421 L523	F382-L396 HydrophobicContact CZ-CD1 4.15Å; L386-L396 HydrophobicContact CD1-CD1 3.81Å; L386-L396 HydrophobicContact CG-CD1 4.31Å; C392-L396 PolarHBondContact O-N 2.79Å; Q393-L396 WeakPolarHBondContact O-CB 3.19Å; Q393-L396 PolarHBondContact O-N 3.41Å; Q393-L396 VanDerWaalsContact O-N 3.11Å; R394-L396 VanDerWaalsContact C-N 3.28Å; R394-L396 PolarHBondContact O-N 2.95Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.45Å; L396-L399 PolarHBondContact O-N 2.94Å; L396-L399 VanDerWaalsContact O-N 3.13Å; L396-L400 HydrophobicContact CB-CD1 4.31Å; L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 VanDerWaalsContact O-CG 3.24Å; L396-L400 WeakPolarHBondContact O-CG 3.42Å; L396-L400 PolarHBondContact O-N 3.46Å; L396-Y417 HydrophobicContact CD2-CD1 3.61Å; L396-Y417 HydrophobicContact CD2-CE1 4.36Å; L396-Y417 HydrophobicContact CD2-CG 4.41Å; L396-Y417 HydrophobicContact CG-CD1 3.9Å; L396-Y417 HydrophobicContact CG-CE1 4.18Å; L396-L418 HydrophobicContact CD1-CD1 4.41Å; L396-L418 VanDerWaalsContact CD2-CA 3.49Å; L396-L418 HydrophobicContact CD2-CB 3.92Å; L396-L418 HydrophobicContact CD2-CD1 4.16Å; L396-C421 HydrophobicContact CD1-CB 4.16Å; L396-L523 HydrophobicContact CB-CD1 4.39Å; L396-L523 HydrophobicContact CD1-CD1 3.56Å
397	H	97.7	Very high	96.5	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.06	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-39.1	176.5	-69.4	163.6	0	0	0	112.5	Q393 R394 L399 L400 L401 L523 F526 H527	Q393-H397 PolarHBondContact O-N 2.84Å; Q393-H397 PolarHBondContact OE1-CE1 3.01Å; R394-H397 WeakPolarHBondContact O-CB 3.38Å; R394-H397 PolarHBondContact O-N 2.92Å; H397-L399 PolarHBondContact O-N 2.92Å; H397-L400 PolarHBondContact O-N 3.14Å; H397-L401 HydrophobicContact CB-CD1 4.23Å; H397-L401 HydrophobicContact CB-CG 4.38Å; H397-L401 VanDerWaalsContact O-CB 3.28Å; H397-L401 WeakPolarHBondContact O-CB 3.42Å; H397-L401 VanDerWaalsContact O-CG 3.23Å; H397-L401 WeakPolarHBondContact O-CG 3.29Å; H397-L401 PolarHBondContact O-N 2.96Å; H397-L523 PolarHBondContact CD2-O 3.24Å; H397-L523 PolarHBondContact NE2-O 2.89Å; H397-L523 VanDerWaalsContact NE2-O 3.11Å; H397-F526 PolarHBondContact NE2-O 3.39Å; H397-F526 VanDerWaalsContact NE2-O 3.17Å; H397-H527 AromaticContact CE1-ND1 3.48Å; H397-H527 PolarHBondContact CE1-ND1 3.44Å; H397-H527 AromaticContact ND1-ND1 3.88Å
398	E	96.6	Very high	96.5	Very high	137 Å²	137	58.8 Å²	58.8	64%	0.64	29%	0.286	S	S	*	.	H	α-helix	trans	-55.1	-35.7	173.4	-72.3	167.7	-170.5	0	0	112.5	R394 L396 P402	R394-E398 WeakPolarHBondContact O-CG 3.49Å; R394-E398 PolarHBondContact O-N 3.06Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.45Å; E398-P402 WeakPolarHBondContact O-CD 3.42Å
399	L	96.8	Very high	96.5	Very high	67 Å²	67	53 Å²	53	35%	0.351	27%	0.265	S	S	.	.	H	α-helix	trans	-83.8	-32.3	178.7	-61	173.8	0	0	0	113.1	L396 H397 L415	L396-L399 PolarHBondContact O-N 2.94Å; L396-L399 VanDerWaalsContact O-N 3.13Å; H397-L399 PolarHBondContact O-N 2.92Å; L399-L415 HydrophobicContact CB-CD1 4.46Å; L399-L415 HydrophobicContact CB-CD2 4.34Å
400	L	97	Very high	96.4	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-88.6	-39	-173.6	-67.7	169.2	0	0	0	112.5	L396 H397 P402 L403 L412 L415 L523 R524	L396-L400 HydrophobicContact CB-CD1 4.31Å; L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 VanDerWaalsContact O-CG 3.24Å; L396-L400 WeakPolarHBondContact O-CG 3.42Å; L396-L400 PolarHBondContact O-N 3.46Å; H397-L400 PolarHBondContact O-N 3.14Å; L400-P402 VanDerWaalsContact C-CD 3.41Å; L400-P402 VanDerWaalsContact C-N 3.33Å; L400-L403 HydrophobicContact CD2-CD1 4.25Å; L400-L403 VanDerWaalsContact O-CB 3.3Å; L400-L403 WeakPolarHBondContact O-CB 3.3Å; L400-L403 PolarHBondContact O-N 3.4Å; L400-L412 HydrophobicContact CD2-CD2 3.53Å; L400-L415 HydrophobicContact CD2-CD1 3.76Å; L400-L523 HydrophobicContact CD1-CB 3.62Å; L400-R524 HydrophobicContact CB-CB 4.43Å; L400-R524 WeakPolarHBondContact O-CD 3.13Å; L400-R524 PolarHBondContact O-NE 3Å
401	L	95.2	Very high	96.4	Very high	45 Å²	45	59.9 Å²	59.9	24%	0.236	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.4	-175.7	-75.8	172.9	0	0	0	114.8	H397 L403 R524 L558	H397-L401 HydrophobicContact CB-CD1 4.23Å; H397-L401 HydrophobicContact CB-CG 4.38Å; H397-L401 VanDerWaalsContact O-CB 3.28Å; H397-L401 WeakPolarHBondContact O-CB 3.42Å; H397-L401 VanDerWaalsContact O-CG 3.23Å; H397-L401 WeakPolarHBondContact O-CG 3.29Å; H397-L401 PolarHBondContact O-N 2.96Å; L401-L403 PolarHBondContact O-N 3.17Å; L401-R524 PolarHBondContact O-NH2 3.01Å; L401-L558 HydrophobicContact CD2-CB 4.34Å; L401-L558 HydrophobicContact CD2-CD1 4.12Å
402	P	94.3	Very high	96.4	Very high	51 Å²	51	50.8 Å²	50.8	33%	0.331	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.7	174.8	-23.3	35.6	0	0	0	114.5	E398 L400	E398-P402 WeakPolarHBondContact O-CD 3.42Å; L400-P402 VanDerWaalsContact C-CD 3.41Å; L400-P402 VanDerWaalsContact C-N 3.33Å
403	L	94.6	Very high	96.3	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.188	28%	0.278	C	S	.	.	S	Bend	trans	-78.1	165.7	178.8	-52.7	179.8	0	0	0	111.3	L400 L401 P407 E411 L412 L415 R524	L400-L403 HydrophobicContact CD2-CD1 4.25Å; L400-L403 VanDerWaalsContact O-CB 3.3Å; L400-L403 WeakPolarHBondContact O-CB 3.3Å; L400-L403 PolarHBondContact O-N 3.4Å; L401-L403 PolarHBondContact O-N 3.17Å; L403-P407 HydrophobicContact CB-CB 4.16Å; L403-P407 HydrophobicContact CD1-CB 3.84Å; L403-P407 HydrophobicContact CD1-CG 4.43Å; L403-E411 HydrophobicContact CD1-CB 4.25Å; L403-E411 HydrophobicContact CD2-CB 4.39Å; L403-L412 HydrophobicContact CD1-CD2 4.25Å; L403-L415 HydrophobicContact CD1-CD1 4.3Å; L403-R524 VanDerWaalsContact O-CZ 3.29Å; L403-R524 PolarHBondContact O-NE 3.3Å; L403-R524 PolarHBondContact O-NH2 3.01Å
404	G	91.9	Very high	96.2	Very high	34 Å²	34	59 Å²	59	35%	0.351	31%	0.309	S	S	.	.			trans	-58.1	169.6	170.5	0	0	0	0	0	113.3	S406 P407 R524	G404-S406 PolarHBondContact O-N 3.21Å; G404-P407 WeakPolarHBondContact O-CD 3.47Å; G404-R524 WeakPolarHBondContact O-CG 3.27Å; G404-R524 PolarHBondContact O-NE 2.9Å
405	P	90.2	Very high	96.2	Very high	84 Å²	84	53.1 Å²	53.1	55%	0.545	29%	0.289	S	S	.	.	S	Bend	trans	-66.6	-22.4	-178.5	26.2	-34.9	0	0	0	114.3
406	S	94.9	Very high	96.2	Very high	60 Å²	60	49.8 Å²	49.8	42%	0.42	28%	0.281	S	S	.	.	S	Bend	trans	-131.7	71.1	179.3	-68.3	0	0	0	0	109.8	G404	G404-S406 PolarHBondContact O-N 3.21Å
407	P	97.2	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.			trans	-58.9	144.1	-175.2	24.4	-35.2	0	0	0	111.9	L403 G404 E411 L412 R521 R524	L403-P407 HydrophobicContact CB-CB 4.16Å; L403-P407 HydrophobicContact CD1-CB 3.84Å; L403-P407 HydrophobicContact CD1-CG 4.43Å; G404-P407 WeakPolarHBondContact O-CD 3.47Å; P407-E411 WeakPolarHBondContact CA-OE2 3.44Å; P407-E411 HydrophobicContact CB-CB 4.33Å; P407-L412 HydrophobicContact CB-CD1 4.36Å; P407-L412 HydrophobicContact CB-CD2 3.97Å; P407-L412 HydrophobicContact CB-CG 3.97Å; P407-L412 HydrophobicContact CG-CD1 4.15Å; P407-L412 HydrophobicContact CG-CD2 3.8Å; P407-L412 HydrophobicContact CG-CG 4.1Å; P407-R521 HydrophobicContact CG-CG 4.16Å; P407-R521 PolarHBondContact O-NE 3.44Å; P407-R521 PolarHBondContact O-NH2 3.41Å; P407-R521 VanDerWaalsContact O-NH2 3.11Å; P407-R524 HydrophobicContact CG-CB 4.37Å; P407-R524 HydrophobicContact CG-CG 4.42Å
408	T	97.4	Very high	96.3	Very high	50 Å²	50	49.5 Å²	49.5	31%	0.307	28%	0.279	S	S	.	.			trans	-76.9	168	176.7	69.3	0	0	0	0	110.8	E165 E410 E411 L412	E165-T408 WeakPolarHBondContact OE1-CA 3.12Å; E165-T408 WeakPolarHBondContact OE1-CB 3.39Å; T408-E410 VanDerWaalsContact C-N 3.27Å; T408-E410 PolarHBondContact O-N 3.08Å; T408-E410 PolarHBondContact OG1-N 3.31Å; T408-E411 PolarHBondContact N-OE2 2.97Å; T408-E411 PolarHBondContact O-N 3.29Å; T408-E411 WeakPolarHBondContact OG1-CG 3.31Å; T408-E411 PolarHBondContact OG1-N 3.46Å; T408-E411 PolarHBondContact OG1-OE2 3.37Å; T408-L412 VanDerWaalsContact O-CG 3.25Å; T408-L412 WeakPolarHBondContact O-CG 3.49Å; T408-L412 PolarHBondContact O-N 3.19Å; T408-L412 VanDerWaalsContact O-N 3.11Å
409	L	96.5	Very high	96.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-35.6	174.2	-170.9	63.4	0	0	0	111.5	E165 E411 L412 E413 M513 T516 L517	E165-L409 HydrophobicContact CG-CB 4.27Å; E165-L409 PolarHBondContact OE1-N 2.81Å; E165-L409 WeakPolarHBondContact OE2-CB 3.24Å; L409-E411 VanDerWaalsContact C-N 3.29Å; L409-E411 PolarHBondContact O-N 3.07Å; L409-L412 PolarHBondContact O-N 2.79Å; L409-E413 HydrophobicContact CD1-CG 3.61Å; L409-E413 HydrophobicContact CG-CG 3.78Å; L409-E413 WeakPolarHBondContact O-CB 3.42Å; L409-E413 WeakPolarHBondContact O-CG 3.16Å; L409-E413 PolarHBondContact O-N 3.26Å; L409-M513 HydrophobicContact CD2-CB 4.2Å; L409-M513 HydrophobicContact CD2-CE 3.71Å; L409-M513 HydrophobicContact CD2-CG 3.81Å; L409-M513 HydrophobicContact CD2-SD 4.5Å; L409-T516 HydrophobicContact CD1-CG2 3.78Å; L409-L517 HydrophobicContact CB-CD2 4.31Å; L409-L517 HydrophobicContact CD1-CG 4.19Å
410	E	95.9	Very high	96.5	Very high	161 Å²	161	44.7 Å²	44.7	75%	0.752	25%	0.25	S	S	*	.	H	α-helix	trans	-61.4	-35.4	175.1	-175.6	176.2	-173	0	0	112.5	T408 P414	T408-E410 VanDerWaalsContact C-N 3.27Å; T408-E410 PolarHBondContact O-N 3.08Å; T408-E410 PolarHBondContact OG1-N 3.31Å; E410-P414 WeakPolarHBondContact O-CD 3.45Å; E410-P414 VanDerWaalsContact O-CG 3.29Å; E410-P414 WeakPolarHBondContact O-CG 3.47Å
411	E	97.6	Very high	96.6	Very high	75 Å²	75	44.6 Å²	44.6	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-76.7	-32.1	175.5	-66.9	172.9	118.7	0	0	112.6	L403 P407 T408 L409	L403-E411 HydrophobicContact CD1-CB 4.25Å; L403-E411 HydrophobicContact CD2-CB 4.39Å; P407-E411 WeakPolarHBondContact CA-OE2 3.44Å; P407-E411 HydrophobicContact CB-CB 4.33Å; T408-E411 PolarHBondContact N-OE2 2.97Å; T408-E411 PolarHBondContact O-N 3.29Å; T408-E411 WeakPolarHBondContact OG1-CG 3.31Å; T408-E411 PolarHBondContact OG1-N 3.46Å; T408-E411 PolarHBondContact OG1-OE2 3.37Å; L409-E411 VanDerWaalsContact C-N 3.29Å; L409-E411 PolarHBondContact O-N 3.07Å
412	L	98.3	Very high	96.8	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-88	-36.9	-173.9	-68.1	172.2	0	0	0	114	L400 L403 P407 T408 L409 L415 L418 T516 L517	L400-L412 HydrophobicContact CD2-CD2 3.53Å; L403-L412 HydrophobicContact CD1-CD2 4.25Å; P407-L412 HydrophobicContact CB-CD1 4.36Å; P407-L412 HydrophobicContact CB-CD2 3.97Å; P407-L412 HydrophobicContact CB-CG 3.97Å; P407-L412 HydrophobicContact CG-CD1 4.15Å; P407-L412 HydrophobicContact CG-CD2 3.8Å; P407-L412 HydrophobicContact CG-CG 4.1Å; T408-L412 VanDerWaalsContact O-CG 3.25Å; T408-L412 WeakPolarHBondContact O-CG 3.49Å; T408-L412 PolarHBondContact O-N 3.19Å; T408-L412 VanDerWaalsContact O-N 3.11Å; L409-L412 PolarHBondContact O-N 2.79Å; L412-L415 HydrophobicContact CD2-CD1 4.12Å; L412-L415 VanDerWaalsContact O-CB 3.28Å; L412-L415 WeakPolarHBondContact O-CB 3.4Å; L412-L415 WeakPolarHBondContact O-CG 3.27Å; L412-L415 PolarHBondContact O-N 3.46Å; L412-L415 VanDerWaalsContact O-N 3.1Å; L412-L418 HydrophobicContact CB-CD2 4.27Å; L412-L418 HydrophobicContact CD2-CD2 4.05Å; L412-T516 HydrophobicContact CB-CG2 3.56Å; L412-T516 HydrophobicContact CD1-CG2 4.32Å; L412-L517 HydrophobicContact CD1-CD2 4.29Å
413	E	96.3	Very high	97	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.369	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-36.4	-176.1	-77.5	-176.2	148.3	0	0	114.7	R161 L409 L415 T516	R161-E413 IonicContact CZ-OE1 3.87Å; R161-E413 IonicContact CZ-OE2 3.92Å; R161-E413 IonicContact NH2-OE1 3.76Å; R161-E413 PolarHBondContact NH2-OE1 3.38Å; R161-E413 IonicContact NH2-OE2 2.79Å; R161-E413 PolarHBondContact NH2-OE2 3.36Å; L409-E413 HydrophobicContact CD1-CG 3.61Å; L409-E413 HydrophobicContact CG-CG 3.78Å; L409-E413 WeakPolarHBondContact O-CB 3.42Å; L409-E413 WeakPolarHBondContact O-CG 3.16Å; L409-E413 PolarHBondContact O-N 3.26Å; E413-L415 PolarHBondContact O-N 2.92Å; E413-T516 HydrophobicContact CG-CG2 4.38Å
414	P	97.1	Very high	97.2	Very high	99 Å²	99	39 Å²	39	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.3	174.2	-24.1	36	0	0	0	114	E410 A416	E410-P414 WeakPolarHBondContact O-CD 3.45Å; E410-P414 VanDerWaalsContact O-CG 3.29Å; E410-P414 WeakPolarHBondContact O-CG 3.47Å; P414-A416 VanDerWaalsContact C-N 3.34Å; P414-A416 PolarHBondContact O-N 2.86Å
415	L	98.3	Very high	97.5	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.147	20%	0.202	C	C	.	.			trans	-73.6	85.7	-179.1	-55.5	-177.4	0	0	0	110.8	L399 L400 L403 L412 E413 Y417 L418 R419	L399-L415 HydrophobicContact CB-CD1 4.46Å; L399-L415 HydrophobicContact CB-CD2 4.34Å; L400-L415 HydrophobicContact CD2-CD1 3.76Å; L403-L415 HydrophobicContact CD1-CD1 4.3Å; L412-L415 HydrophobicContact CD2-CD1 4.12Å; L412-L415 VanDerWaalsContact O-CB 3.28Å; L412-L415 WeakPolarHBondContact O-CB 3.4Å; L412-L415 WeakPolarHBondContact O-CG 3.27Å; L412-L415 PolarHBondContact O-N 3.46Å; L412-L415 VanDerWaalsContact O-N 3.1Å; E413-L415 PolarHBondContact O-N 2.92Å; L415-Y417 PolarHBondContact O-N 2.95Å; L415-Y417 VanDerWaalsContact O-N 3.09Å; L415-L418 HydrophobicContact CB-CB 3.91Å; L415-L418 WeakPolarHBondContact O-CB 3.5Å; L415-L418 PolarHBondContact O-N 2.9Å; L415-R419 PolarHBondContact O-N 3.3Å; L415-R419 VanDerWaalsContact O-N 3.16Å
416	A	98.5	Very high	97.9	Very high	22 Å²	22	34.3 Å²	34.3	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-51.6	-37.5	-178.8	0	0	0	0	0	112.9	P414 R419 A420 L483 G487	P414-A416 VanDerWaalsContact C-N 3.34Å; P414-A416 PolarHBondContact O-N 2.86Å; A416-R419 PolarHBondContact O-N 3.01Å; A416-A420 VanDerWaalsContact O-CB 3.28Å; A416-A420 WeakPolarHBondContact O-CB 3.49Å; A416-A420 PolarHBondContact O-N 2.79Å; A416-L483 HydrophobicContact CB-CD2 4.03Å; A416-G487 WeakPolarHBondContact CB-O 3.48Å
417	Y	98.8	Very high	98.1	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-35.4	178.7	-161.7	-115.8	0	0	0	113.5	R395 L396 L415 A420 C421 P479 E480 L483	R395-Y417 HydrophobicContact CB-CD1 4.19Å; R395-Y417 HydrophobicContact CB-CE1 3.67Å; R395-Y417 VanDerWaalsContact CD-CE1 3.47Å; R395-Y417 VanDerWaalsContact CD-CZ 3.48Å; R395-Y417 HydrophobicContact CG-CD1 3.66Å; R395-Y417 HydrophobicContact CG-CE1 3.51Å; R395-Y417 HydrophobicContact CG-CG 4.36Å; L396-Y417 HydrophobicContact CD2-CD1 3.61Å; L396-Y417 HydrophobicContact CD2-CE1 4.36Å; L396-Y417 HydrophobicContact CD2-CG 4.41Å; L396-Y417 HydrophobicContact CG-CD1 3.9Å; L396-Y417 HydrophobicContact CG-CE1 4.18Å; L415-Y417 PolarHBondContact O-N 2.95Å; L415-Y417 VanDerWaalsContact O-N 3.09Å; Y417-A420 PolarHBondContact O-N 3.47Å; Y417-C421 PolarHBondContact O-N 2.95Å; Y417-C421 PolarHBondContact O-SG 2.82Å; Y417-P479 HydrophobicContact CD2-CB 4.32Å; Y417-P479 HydrophobicContact CE2-CB 3.68Å; Y417-P479 HydrophobicContact CE2-CG 4.27Å; Y417-E480 WeakPolarHBondContact CE2-OE1 3.47Å; Y417-E480 PolarHBondContact OH-OE1 3.24Å; Y417-E480 VanDerWaalsContact OH-OE1 3.08Å; Y417-L483 HydrophobicContact CD2-CD1 3.71Å; Y417-L483 HydrophobicContact CE2-CD1 4.24Å
418	L	98.8	Very high	98.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-47.9	172.9	177.4	61.3	0	0	0	110.2	F382 L396 L412 L415 A420 C421 I422 T516	F382-L418 HydrophobicContact CZ-CD1 4.17Å; L396-L418 HydrophobicContact CD1-CD1 4.41Å; L396-L418 VanDerWaalsContact CD2-CA 3.49Å; L396-L418 HydrophobicContact CD2-CB 3.92Å; L396-L418 HydrophobicContact CD2-CD1 4.16Å; L412-L418 HydrophobicContact CB-CD2 4.27Å; L412-L418 HydrophobicContact CD2-CD2 4.05Å; L415-L418 HydrophobicContact CB-CB 3.91Å; L415-L418 WeakPolarHBondContact O-CB 3.5Å; L415-L418 PolarHBondContact O-N 2.9Å; L418-A420 VanDerWaalsContact C-N 3.29Å; L418-A420 PolarHBondContact O-N 3.05Å; L418-C421 PolarHBondContact O-N 3.4Å; L418-I422 HydrophobicContact CD1-CD1 4.33Å; L418-I422 HydrophobicContact CG-CD1 4.16Å; L418-I422 WeakPolarHBondContact O-CG1 3.31Å; L418-I422 PolarHBondContact O-N 3.47Å; L418-T516 HydrophobicContact CD2-CG2 4.22Å
419	R	98.6	Very high	98.2	Very high	103 Å²	103	29.8 Å²	29.8	39%	0.389	15%	0.148	S	C	.	.	H	α-helix	trans	-61.1	-39.2	176.8	-168.1	179.5	174.4	169	-0.4	112.2	L415 A416 S423 Y489	L415-R419 PolarHBondContact O-N 3.3Å; L415-R419 VanDerWaalsContact O-N 3.16Å; A416-R419 PolarHBondContact O-N 3.01Å; R419-S423 WeakPolarHBondContact O-CB 3.42Å; R419-S423 PolarHBondContact O-N 3.38Å; R419-S423 PolarHBondContact O-OG 3.06Å; R419-Y489 HydrophobicContact CB-CD2 3.93Å; R419-Y489 HydrophobicContact CB-CE2 4.21Å; R419-Y489 HydrophobicContact CG-CD2 3.65Å; R419-Y489 HydrophobicContact CG-CE1 4.45Å; R419-Y489 HydrophobicContact CG-CE2 3.55Å; R419-Y489 HydrophobicContact CG-CG 4.14Å; R419-Y489 VanDerWaalsContact CZ-CE1 3.45Å
420	A	98.8	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-43.7	174.9	0	0	0	0	0	112.1	A416 Y417 L418 S423 E424 P479 F482 L483	A416-A420 VanDerWaalsContact O-CB 3.28Å; A416-A420 WeakPolarHBondContact O-CB 3.49Å; A416-A420 PolarHBondContact O-N 2.79Å; Y417-A420 PolarHBondContact O-N 3.47Å; L418-A420 VanDerWaalsContact C-N 3.29Å; L418-A420 PolarHBondContact O-N 3.05Å; A420-S423 PolarHBondContact O-N 2.92Å; A420-E424 WeakPolarHBondContact O-CB 3.1Å; A420-E424 PolarHBondContact O-N 2.89Å; A420-P479 HydrophobicContact CB-CB 3.97Å; A420-P479 WeakPolarHBondContact CB-O 3.25Å; A420-F482 HydrophobicContact CB-CB 3.81Å; A420-L483 HydrophobicContact CB-CD2 3.93Å; A420-L483 HydrophobicContact CB-CG 4.13Å
421	C	98.9	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-46.1	175.9	-72.5	0	0	0	0	112.1	F382 L396 Y417 L418 S423 E424 T425 P479	F382-C421 HydrophobicContact CE2-CB 3.83Å; L396-C421 HydrophobicContact CD1-CB 4.16Å; Y417-C421 PolarHBondContact O-N 2.95Å; Y417-C421 PolarHBondContact O-SG 2.82Å; L418-C421 PolarHBondContact O-N 3.4Å; C421-S423 VanDerWaalsContact C-N 3.28Å; C421-S423 PolarHBondContact O-N 2.71Å; C421-E424 PolarHBondContact O-N 3.32Å; C421-T425 PolarHBondContact O-N 3.19Å; C421-T425 PolarHBondContact O-OG1 3.12Å; C421-P479 HydrophobicContact CB-CG 4.39Å; C421-P479 WeakPolarHBondContact SG-CG 3.41Å
422	I	98.9	Very high	98.1	Very high	11 Å²	11	20.7 Å²	20.7	6%	0.056	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-42.9	175.7	-64.2	166.4	0	0	0	110.3	F382 L418 T425 M426 L515 T519	F382-I422 HydrophobicContact CD2-CG1 4.08Å; F382-I422 HydrophobicContact CE2-CG1 3.78Å; L418-I422 HydrophobicContact CD1-CD1 4.33Å; L418-I422 HydrophobicContact CG-CD1 4.16Å; L418-I422 WeakPolarHBondContact O-CG1 3.31Å; L418-I422 PolarHBondContact O-N 3.47Å; I422-T425 WeakPolarHBondContact O-CB 3.41Å; I422-T425 PolarHBondContact O-N 3.43Å; I422-M426 HydrophobicContact CG2-CE 3.94Å; I422-M426 PolarHBondContact O-N 2.86Å; I422-M426 VanDerWaalsContact O-N 3.09Å; I422-L515 HydrophobicContact CD1-CB 4.49Å; I422-L515 HydrophobicContact CG2-CB 4.2Å; I422-L515 HydrophobicContact CG2-CD1 4.05Å; I422-T519 WeakPolarHBondContact CD1-OG1 3.33Å; I422-T519 HydrophobicContact CG1-CG2 4.3Å
423	S	98.9	Very high	98	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-66.9	-41.9	-179.9	-57.2	0	0	0	0	112.1	R419 A420 C421 T425 M426 R427 Y489 F495	R419-S423 WeakPolarHBondContact O-CB 3.42Å; R419-S423 PolarHBondContact O-N 3.38Å; R419-S423 PolarHBondContact O-OG 3.06Å; A420-S423 PolarHBondContact O-N 2.92Å; C421-S423 VanDerWaalsContact C-N 3.28Å; C421-S423 PolarHBondContact O-N 2.71Å; S423-T425 VanDerWaalsContact C-N 3.34Å; S423-T425 PolarHBondContact O-N 3.36Å; S423-M426 PolarHBondContact O-N 3Å; S423-R427 WeakPolarHBondContact O-CB 3.15Å; S423-R427 PolarHBondContact O-N 3.48Å; S423-Y489 WeakPolarHBondContact OG-CE2 3.2Å; S423-Y489 PolarHBondContact OG-OH 3.26Å; S423-Y489 VanDerWaalsContact OG-OH 3.1Å; S423-F495 VanDerWaalsContact O-CE2 3.25Å; S423-F495 WeakPolarHBondContact O-CE2 3.4Å; S423-F495 WeakPolarHBondContact O-CZ 3.36Å
424	E	98.8	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.1	-38.7	175.6	-179.2	65.1	169.6	0	0	111.8	A420 C421 M426 R427 I428 F477 R478 P479 R481 F482	A420-E424 WeakPolarHBondContact O-CB 3.1Å; A420-E424 PolarHBondContact O-N 2.89Å; C421-E424 PolarHBondContact O-N 3.32Å; E424-M426 PolarHBondContact O-N 3.38Å; E424-R427 PolarHBondContact O-N 3.19Å; E424-R427 IonicContact OE1-CZ 3.48Å; E424-R427 IonicContact OE1-NE 2.75Å; E424-R427 IonicContact OE1-NH2 2.71Å; E424-R427 PolarHBondContact OE1-NH2 3.11Å; E424-R427 IonicContact OE2-CZ 3.35Å; E424-R427 IonicContact OE2-NE 3Å; E424-R427 PolarHBondContact OE2-NE 3.24Å; E424-R427 IonicContact OE2-NH2 3.92Å; E424-R427 PolarHBondContact OE2-NH2 2.84Å; E424-I428 WeakPolarHBondContact O-CB 3.22Å; E424-I428 WeakPolarHBondContact O-CG2 3.27Å; E424-I428 PolarHBondContact O-N 3.2Å; E424-F477 HydrophobicContact CB-CE2 4.06Å; E424-F477 HydrophobicContact CB-CZ 4.14Å; E424-F477 HydrophobicContact CG-CD1 4.3Å; E424-F477 HydrophobicContact CG-CD2 3.68Å; E424-F477 HydrophobicContact CG-CE1 4.34Å; E424-F477 HydrophobicContact CG-CE2 3.7Å; E424-F477 HydrophobicContact CG-CG 3.98Å; E424-F477 HydrophobicContact CG-CZ 4.05Å; E424-R478 PolarHBondContact OE1-N 3.11Å; E424-P479 HydrophobicContact CB-CG 4.48Å; E424-R481 IonicContact OE1-CZ 2.74Å; E424-R481 IonicContact OE1-NE 2.67Å; E424-R481 PolarHBondContact OE1-NE 3.25Å; E424-R481 IonicContact OE1-NH2 3.94Å; E424-R481 WeakPolarHBondContact OE2-CD 3.44Å; E424-R481 IonicContact OE2-NE 2.65Å; E424-F482 HydrophobicContact CB-CD2 4.21Å; E424-F482 HydrophobicContact CB-CE2 3.99Å; E424-F482 WeakPolarHBondContact OE2-CE2 3.17Å
425	T	98.8	Very high	97.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-57.2	-48.8	171.2	-58.3	0	0	0	0	111.6	T378 W381 F382 C421 I422 S423 R427 R429	T378-T425 HydrophobicContact CG2-CG2 4.49Å; W381-T425 HydrophobicContact CB-CG2 3.53Å; F382-T425 HydrophobicContact CB-CG2 4Å; C421-T425 PolarHBondContact O-N 3.19Å; C421-T425 PolarHBondContact O-OG1 3.12Å; I422-T425 WeakPolarHBondContact O-CB 3.41Å; I422-T425 PolarHBondContact O-N 3.43Å; S423-T425 VanDerWaalsContact C-N 3.34Å; S423-T425 PolarHBondContact O-N 3.36Å; T425-R427 VanDerWaalsContact C-N 3.3Å; T425-R427 PolarHBondContact O-N 3.48Å; T425-R429 PolarHBondContact O-N 3.35Å
426	M	98.6	Very high	97.3	Very high	18 Å²	18	16 Å²	16	9%	0.089	8%	0.083	C	C	.	.	H	α-helix	trans	-69.4	-26.2	179.4	-67.8	-174.6	-63.5	0	0	113.1	T378 I422 S423 E424 R429 S430 F495 P497 F498 L515	T378-M426 HydrophobicContact CG2-CG 3.65Å; T378-M426 HydrophobicContact CG2-SD 4.27Å; I422-M426 HydrophobicContact CG2-CE 3.94Å; I422-M426 PolarHBondContact O-N 2.86Å; I422-M426 VanDerWaalsContact O-N 3.09Å; S423-M426 PolarHBondContact O-N 3Å; E424-M426 PolarHBondContact O-N 3.38Å; M426-R429 CarbonylContact O-C 3.54Å; M426-S430 VanDerWaalsContact O-CA 3.3Å; M426-S430 WeakPolarHBondContact O-CA 3.18Å; M426-S430 PolarHBondContact O-N 2.82Å; M426-F495 HydrophobicContact CB-CE2 4.1Å; M426-F495 HydrophobicContact CB-CZ 4.08Å; M426-F495 HydrophobicContact CE-CZ 3.94Å; M426-P497 HydrophobicContact CB-CB 4.06Å; M426-P497 HydrophobicContact CE-CG 4.34Å; M426-P497 HydrophobicContact SD-CB 4.27Å; M426-F498 HydrophobicContact CE-CE2 4.33Å; M426-F498 HydrophobicContact SD-CE2 4.39Å; M426-F498 HydrophobicContact SD-CZ 4.15Å; M426-L515 HydrophobicContact SD-CD1 4.08Å
427	R	98.5	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-74.9	-58.2	175.6	-174.7	-155.3	62.2	77	-0.2	110.6	S423 E424 T425 R429 S430 H465 F471 P474 F482 F495	S423-R427 WeakPolarHBondContact O-CB 3.15Å; S423-R427 PolarHBondContact O-N 3.48Å; E424-R427 PolarHBondContact O-N 3.19Å; E424-R427 IonicContact OE1-CZ 3.48Å; E424-R427 IonicContact OE1-NE 2.75Å; E424-R427 IonicContact OE1-NH2 2.71Å; E424-R427 PolarHBondContact OE1-NH2 3.11Å; E424-R427 IonicContact OE2-CZ 3.35Å; E424-R427 IonicContact OE2-NE 3Å; E424-R427 PolarHBondContact OE2-NE 3.24Å; E424-R427 IonicContact OE2-NH2 3.92Å; E424-R427 PolarHBondContact OE2-NH2 2.84Å; T425-R427 VanDerWaalsContact C-N 3.3Å; T425-R427 PolarHBondContact O-N 3.48Å; R427-R429 PolarHBondContact O-N 3.37Å; R427-S430 PolarHBondContact O-OG 2.78Å; R427-H465 HydrophobicContact CG-CB 3.82Å; R427-H465 PolarHBondContact NH1-O 2.9Å; R427-H465 WeakPolarHBondContact O-CB 3.49Å; R427-F471 HydrophobicContact CG-CD1 4.48Å; R427-F471 HydrophobicContact CG-CE1 4.2Å; R427-F471 HydrophobicContact CG-CE2 4.43Å; R427-F471 HydrophobicContact CG-CZ 4.17Å; R427-P474 PolarHBondContact NH1-O 3.21Å; R427-P474 PolarHBondContact NH2-O 3.18Å; R427-F482 HydrophobicContact CB-CE2 4.44Å; R427-F482 HydrophobicContact CB-CZ 4.09Å; R427-F495 HydrophobicContact CB-CD2 3.91Å; R427-F495 HydrophobicContact CB-CE2 3.83Å; R427-F495 HydrophobicContact CG-CD2 4.32Å
428	I	98.5	Very high	96.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.8	-29.4	-173.3	-163.5	169.4	0	0	0	111.7	Y385 E424 E475 F477	Y385-I428 HydrophobicContact CD2-CG2 4.34Å; Y385-I428 HydrophobicContact CE1-CD1 3.89Å; Y385-I428 HydrophobicContact CE1-CG2 4.37Å; Y385-I428 HydrophobicContact CE2-CG2 3.68Å; Y385-I428 WeakPolarHBondContact OH-CD1 3.05Å; E424-I428 WeakPolarHBondContact O-CB 3.22Å; E424-I428 WeakPolarHBondContact O-CG2 3.27Å; E424-I428 PolarHBondContact O-N 3.2Å; I428-E475 WeakPolarHBondContact CD1-O 3.42Å; I428-F477 HydrophobicContact CD1-CB 4.31Å; I428-F477 HydrophobicContact CG2-CD2 4.12Å
429	R	97.9	Very high	96.3	Very high	14 Å²	14	17 Å²	17	5%	0.053	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	76.4	171.6	-63.5	-64.8	175.6	-97.8	3	109.6	W381 Y385 T425 M426 R427 V431 E475 M538 L546	W381-R429 HydrophobicContact CD2-CB 3.84Å; W381-R429 HydrophobicContact CD2-CG 3.61Å; W381-R429 HydrophobicContact CE3-CG 3.8Å; W381-R429 HydrophobicContact CG-CB 3.87Å; W381-R429 HydrophobicContact CG-CG 4.13Å; W381-R429 HydrophobicContact CH2-CG 4.25Å; W381-R429 HydrophobicContact CZ2-CB 4.5Å; W381-R429 HydrophobicContact CZ2-CG 4.07Å; W381-R429 HydrophobicContact CZ3-CG 4.12Å; Y385-R429 HydrophobicContact CE2-CG 3.7Å; Y385-R429 PolarHBondContact OH-NE 3.27Å; Y385-R429 PolarHBondContact OH-NH1 3.36Å; Y385-R429 PolarHBondContact OH-NH2 3.34Å; Y385-R429 VanDerWaalsContact OH-NH2 3.13Å; T425-R429 PolarHBondContact O-N 3.35Å; M426-R429 CarbonylContact O-C 3.54Å; R427-R429 PolarHBondContact O-N 3.37Å; R429-V431 PolarHBondContact O-N 2.98Å; R429-E475 IonicContact NH1-OE2 2.93Å; R429-E475 IonicContact NH2-OE2 3.8Å; R429-M538 PolarHBondContact NE-O 2.83Å; R429-M538 PolarHBondContact NH2-O 3.27Å; R429-L546 HydrophobicContact CB-CD2 4.48Å
430	S	97.5	Very high	95.6	Very high	2 Å²	2	13 Å²	13	1%	0.014	8%	0.077	C	C	.	.			trans	-52.5	108.8	170.2	-53.4	0	0	0	0	109.8	M426 R427 V432 P433 H465	M426-S430 VanDerWaalsContact O-CA 3.3Å; M426-S430 WeakPolarHBondContact O-CA 3.18Å; M426-S430 PolarHBondContact O-N 2.82Å; R427-S430 PolarHBondContact O-OG 2.78Å; S430-V432 VanDerWaalsContact C-N 3.25Å; S430-V432 PolarHBondContact O-N 3.15Å; S430-P433 WeakPolarHBondContact O-CD 3.42Å; S430-H465 PolarHBondContact OG-ND1 3.47Å
431	V	96.8	Very high	94.9	Very high	14 Å²	14	20.8 Å²	20.8	9%	0.085	11%	0.111	C	C	.	.	S	Bend	trans	-64.4	-32.2	-173	170.1	0	0	0	0	111.5	T374 A377 T378 R429 P433 T545 L546	T374-V431 HydrophobicContact CG2-CG1 4.27Å; A377-V431 HydrophobicContact CB-CG1 3.8Å; A377-V431 HydrophobicContact CB-CG2 4.06Å; T378-V431 WeakPolarHBondContact OG1-CG2 3.49Å; R429-V431 PolarHBondContact O-N 2.98Å; V431-P433 VanDerWaalsContact O-CD 3.29Å; V431-P433 WeakPolarHBondContact O-CD 3.38Å; V431-T545 HydrophobicContact CG1-CG2 3.86Å; V431-T545 CarbonylContact O-C 3.27Å; V431-T545 WeakPolarHBondContact O-CA 3.34Å; V431-T545 WeakPolarHBondContact O-CB 3.46Å; V431-L546 PolarHBondContact O-N 3.29Å
432	V	94.8	Very high	94.4	Very high	30 Å²	30	26.8 Å²	26.8	18%	0.182	14%	0.139	C	C	.	.	S	Bend	trans	-115	73.4	173.3	-167	0	0	0	0	108.8	T374 S430 L434 G435 I436 T545	T374-V432 HydrophobicContact CG2-CG2 4.33Å; S430-V432 VanDerWaalsContact C-N 3.25Å; S430-V432 PolarHBondContact O-N 3.15Å; V432-L434 PolarHBondContact O-N 2.81Å; V432-G435 PolarHBondContact O-N 2.87Å; V432-I436 HydrophobicContact CG1-CD1 4.15Å; V432-T545 HydrophobicContact CG2-CG2 4.48Å
433	P	95.7	Very high	94	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.019	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.4	-161.5	26.8	-36.9	0	0	0	114.9	H70 S430 V431 E461 W462 L546	H70-P433 HydrophobicContact CB-CB 3.74Å; H70-P433 HydrophobicContact CB-CG 4.11Å; S430-P433 WeakPolarHBondContact O-CD 3.42Å; V431-P433 VanDerWaalsContact O-CD 3.29Å; V431-P433 WeakPolarHBondContact O-CD 3.38Å; P433-E461 PolarHBondContact O-N 2.83Å; P433-W462 HydrophobicContact CB-CB 3.71Å; P433-W462 HydrophobicContact CB-CE3 4.4Å; P433-W462 HydrophobicContact CB-CG 4.45Å; P433-W462 WeakPolarHBondContact O-CB 3.49Å; P433-W462 PolarHBondContact O-N 2.96Å; P433-L546 HydrophobicContact CG-CB 4.24Å
434	L	94.2	Very high	93.5	Very high	38 Å²	38	31.4 Å²	31.4	20%	0.199	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	7.2	178	-63.1	-175.6	0	0	0	113	P69 H70 L73 V432 V458 C459	P69-L434 HydrophobicContact CB-CD1 4.1Å; P69-L434 HydrophobicContact CG-CD1 4.09Å; H70-L434 HydrophobicContact CB-CD2 3.89Å; H70-L434 HydrophobicContact CB-CG 4.17Å; L73-L434 HydrophobicContact CD1-CD1 4.37Å; L73-L434 HydrophobicContact CD1-CD2 3.75Å; V432-L434 PolarHBondContact O-N 2.81Å; L434-V458 HydrophobicContact CB-CG1 4.01Å; L434-V458 HydrophobicContact CD2-CG1 4.28Å; L434-V458 WeakPolarHBondContact O-CG1 3.41Å; L434-C459 CarbonylContact C-O 3.09Å; L434-C459 VanDerWaalsContact O-O 3.09Å
435	G	91.6	Very high	93	Very high	14 Å²	14	34.1 Å²	34.1	14%	0.144	18%	0.179	C	C	.	.			trans	56.6	-167	-165.6	0	0	0	0	0	112	V432 C459	V432-G435 PolarHBondContact O-N 2.87Å; G435-C459 PolarHBondContact N-O 2.81Å
436	I	90.6	Very high	92.4	Very high	54 Å²	54	34 Å²	34	28%	0.277	18%	0.179	S	C	.	.	S	Bend	trans	-99.5	125.1	168.2	-56.8	-59.7	0	0	0	107.8	R114 I130 V432 H438 I544	R114-I436 VanDerWaalsContact CZ-CG2 3.43Å; R114-I436 VanDerWaalsContact NH1-CB 3.3Å; R114-I436 VanDerWaalsContact NH1-CG2 3.29Å; R114-I436 PolarHBondContact NH1-O 2.82Å; I130-I436 HydrophobicContact CG2-CG2 4.25Å; V432-I436 HydrophobicContact CG1-CD1 4.15Å; I436-H438 PolarHBondContact O-CD2 3.39Å; I436-H438 PolarHBondContact O-NE2 2.8Å; I436-H438 VanDerWaalsContact O-NE2 3.09Å; I436-I544 HydrophobicContact CD1-CG2 3.97Å
437	P	92.1	Very high	91.7	Very high	38 Å²	38	35.2 Å²	35.2	25%	0.247	20%	0.195	C	C	.	.			trans	-57.2	139.4	-175	-27.5	34.7	0	0	0	114.7	R114 A115 M456 I457 V458	R114-P437 VanDerWaalsContact CD-O 3.28Å; R114-P437 WeakPolarHBondContact CD-O 3.5Å; A115-P437 HydrophobicContact CB-CB 4.08Å; P437-M456 HydrophobicContact CB-CG 3.85Å; P437-M456 HydrophobicContact CB-SD 3.74Å; P437-M456 HydrophobicContact CG-SD 4.24Å; P437-I457 WeakPolarHBondContact CA-O 3.24Å; P437-V458 HydrophobicContact CB-CG2 4.49Å; P437-V458 HydrophobicContact CG-CG2 4.47Å
438	H	93.2	Very high	91.1	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.032	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	165.4	177.8	-66.3	-90.3	0	0	0	111	F105 F106 M111 G113 R114 I436 M456 I457	F105-H438 HydrophobicContact CE1-CB 4.27Å; F105-H438 HydrophobicContact CZ-CB 4.15Å; F106-H438 AromaticContact CE1-CD2 3.85Å; F106-H438 AromaticContact CE1-CE1 3.44Å; F106-H438 VanDerWaalsContact CE1-CE1 3.44Å; F106-H438 WeakPolarHBondContact CE1-CE1 3.35Å; F106-H438 AromaticContact CE1-NE2 3.29Å; F106-H438 VanDerWaalsContact CE1-NE2 3.29Å; F106-H438 WeakPolarHBondContact CE1-NE2 3.19Å; F106-H438 AromaticContact CZ-CD2 3.96Å; F106-H438 AromaticContact CZ-NE2 3.5Å; F106-H438 WeakPolarHBondContact CZ-NE2 3.48Å; M111-H438 PolarHBondContact O-ND1 2.77Å; G113-H438 PolarHBondContact O-ND1 2.76Å; R114-H438 PolarHBondContact NH1-CE1 3.32Å; R114-H438 PolarHBondContact NH1-NE2 3.37Å; I436-H438 PolarHBondContact O-CD2 3.39Å; I436-H438 PolarHBondContact O-NE2 2.8Å; I436-H438 VanDerWaalsContact O-NE2 3.09Å; H438-M456 CarbonylContact O-C 3.29Å; H438-M456 WeakPolarHBondContact O-CA 3.35Å; H438-I457 HydrophobicContact CB-CB 4.18Å; H438-I457 PolarHBondContact N-O 3.15Å; H438-I457 PolarHBondContact O-N 2.96Å
439	G	89.9	Confident	90.8	Very high	7 Å²	7	45 Å²	45	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	148.3	174.3	0	0	0	0	0	110.6	G113	G113-G439 CarbonylContact C-O 3.59Å; G113-G439 VanDerWaalsContact C-O 3.24Å; G113-G439 WeakPolarHBondContact CA-O 3.19Å; G113-G439 PolarHBondContact O-N 3.49Å
440	C	84.6	Confident	90.5	Very high	18 Å²	18	46.4 Å²	46.4	12%	0.122	25%	0.25	C	C	.	.			trans	-131.9	145.3	174.6	-170.4	0	0	0	0	109.2	V110 M111 E442 F444 G454	V110-C440 PolarHBondContact O-SG 3.36Å; V110-C440 VanDerWaalsContact O-SG 3.35Å; M111-C440 HydrophobicContact CE-CB 4.17Å; C440-E442 PolarHBondContact SG-N 2.82Å; C440-F444 HydrophobicContact CB-CD1 4.37Å; C440-F444 HydrophobicContact CB-CE1 4.11Å; C440-G454 PolarHBondContact O-N 2.79Å
441	K	84.6	Confident	90.2	Very high	164 Å²	164	46.4 Å²	46.4	71%	0.713	25%	0.249	S	C	*	.	S	Bend	trans	-79.6	-25.5	175.8	-67.3	173.5	-175	157.7	0	112	E134 G453	E134-K441 IonicContact OE1-NZ 3.85Å; K441-G453 WeakPolarHBondContact O-CA 3.09Å
442	E	87.6	Confident	89.8	Confident	126 Å²	126	52.4 Å²	52.4	59%	0.589	27%	0.274	S	S	*	.	S	Bend	trans	-94.1	155.1	-174.2	-62.1	177.4	-179.7	0	0	111.4	C440 G453	C440-E442 PolarHBondContact SG-N 2.82Å; E442-G453 WeakPolarHBondContact O-CA 3.21Å
443	N	89.8	Confident	89.5	Confident	93 Å²	93	51.9 Å²	51.9	50%	0.497	28%	0.275	S	S	.	.			trans	-74.4	142.7	169.7	-59.9	-30.2	0	0	0	109.4	F450 I451 K452 G453	N443-F450 HydrophobicContact CB-CE2 3.62Å; N443-F450 HydrophobicContact CB-CZ 3.64Å; N443-I451 WeakPolarHBondContact CA-O 3.35Å; N443-K452 WeakPolarHBondContact OD1-CA 3.23Å; N443-G453 PolarHBondContact OD1-N 3.2Å
444	F	89.7	Confident	89.2	Confident	18 Å²	18	54.2 Å²	54.2	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159.7	178.7	64.9	-76.5	0	0	0	111.1	F105 M111 C440 V446 I451 I457	F105-F444 HydrophobicContact CD2-CE2 4.13Å; F105-F444 AromaticContact CE2-CE2 3.83Å; F105-F444 HydrophobicContact CE2-CE2 3.83Å; F105-F444 AromaticContact CE2-CZ 3.99Å; F105-F444 HydrophobicContact CE2-CZ 3.99Å; M111-F444 HydrophobicContact CE-CE1 4.24Å; M111-F444 HydrophobicContact CE-CE2 4.07Å; M111-F444 HydrophobicContact CE-CZ 3.73Å; M111-F444 HydrophobicContact SD-CD2 3.93Å; M111-F444 HydrophobicContact SD-CE1 4.33Å; M111-F444 HydrophobicContact SD-CE2 3.53Å; M111-F444 VanDerWaalsContact SD-CE2 3.53Å; M111-F444 HydrophobicContact SD-CG 4.46Å; M111-F444 HydrophobicContact SD-CZ 3.78Å; C440-F444 HydrophobicContact CB-CD1 4.37Å; C440-F444 HydrophobicContact CB-CE1 4.11Å; F444-V446 HydrophobicContact CD2-CG2 3.54Å; F444-V446 HydrophobicContact CE2-CG2 3.4Å; F444-V446 VanDerWaalsContact CE2-CG2 3.4Å; F444-I451 HydrophobicContact CD1-CB 4.16Å; F444-I451 HydrophobicContact CD1-CG2 4.27Å; F444-I451 HydrophobicContact CD2-CB 4.44Å; F444-I451 HydrophobicContact CD2-CD1 4.35Å; F444-I451 HydrophobicContact CE1-CB 3.79Å; F444-I451 HydrophobicContact CE1-CG2 3.48Å; F444-I451 VanDerWaalsContact CE1-CG2 3.48Å; F444-I451 HydrophobicContact CE2-CB 4.11Å; F444-I451 HydrophobicContact CE2-CD1 3.57Å; F444-I451 HydrophobicContact CE2-CG1 4.35Å; F444-I451 HydrophobicContact CE2-CG2 4.36Å; F444-I451 HydrophobicContact CG-CB 4.46Å; F444-I451 HydrophobicContact CZ-CB 3.76Å; F444-I451 HydrophobicContact CZ-CD1 3.7Å; F444-I451 HydrophobicContact CZ-CG1 4.31Å; F444-I451 HydrophobicContact CZ-CG2 3.53Å; F444-I451 PolarHBondContact N-O 3.4Å; F444-I451 WeakPolarHBondContact O-CA 3.28Å; F444-I451 PolarHBondContact O-N 3.05Å; F444-I457 HydrophobicContact CZ-CD1 3.9Å; F444-I457 HydrophobicContact CZ-CG1 4.17Å
445	V	88.9	Confident	89.1	Confident	57 Å²	57	52.5 Å²	52.5	35%	0.345	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.5	179.5	177.6	0	0	0	0	109.7	M45 R108 G447 Y449 F450	M45-V445 WeakPolarHBondContact O-CG2 3.05Å; R108-V445 VanDerWaalsContact CZ-O 3.31Å; R108-V445 PolarHBondContact NH1-O 2.83Å; R108-V445 PolarHBondContact NH2-O 2.82Å; V445-G447 WeakPolarHBondContact CG1-O 3.4Å; V445-Y449 CarbonylContact C-O 3.24Å; V445-Y449 VanDerWaalsContact CA-O 3.27Å; V445-Y449 WeakPolarHBondContact CA-O 3.13Å; V445-F450 HydrophobicContact CG2-CD2 4.43Å
446	V	86	Confident	89.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.9	173.4	179.4	0	0	0	0	109	L101 F105 F444 D448 Y449 I451	L101-V446 HydrophobicContact CD2-CG1 4.25Å; F105-V446 HydrophobicContact CD2-CG2 4.17Å; F444-V446 HydrophobicContact CD2-CG2 3.54Å; F444-V446 HydrophobicContact CE2-CG2 3.4Å; F444-V446 VanDerWaalsContact CE2-CG2 3.4Å; V446-D448 PolarHBondContact O-N 3.48Å; V446-Y449 PolarHBondContact N-O 3.24Å; V446-Y449 PolarHBondContact O-N 3.38Å; V446-Y449 VanDerWaalsContact O-N 3.08Å; V446-I451 HydrophobicContact CB-CD1 4.08Å; V446-I451 HydrophobicContact CG2-CD1 3.84Å
447	G	83.9	Confident	89.4	Confident	42 Å²	42	49.5 Å²	49.5	43%	0.433	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-126.2	-163.5	0	0	0	0	0	109.7	V445	V445-G447 WeakPolarHBondContact CG1-O 3.4Å
448	D	85.5	Confident	89.5	Confident	135 Å²	135	48 Å²	48	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	5	176.9	-56.3	-42	0	0	0	113.3	A47 V446	A47-D448 PolarHBondContact N-O 3.48Å; V446-D448 PolarHBondContact O-N 3.48Å
449	Y	91.1	Very high	89.6	Confident	72 Å²	72	47.9 Å²	47.9	28%	0.282	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.1	-168.7	-62.2	-77.7	0	0	0	113.6	A47 P49 I83 V445 V446	A47-Y449 CarbonylContact O-C 3.34Å; A47-Y449 WeakPolarHBondContact O-CA 3.34Å; A47-Y449 WeakPolarHBondContact O-CD1 3.46Å; P49-Y449 HydrophobicContact CB-CD1 4.36Å; P49-Y449 HydrophobicContact CG-CD1 4.44Å; P49-Y449 HydrophobicContact CG-CG 4.38Å; I83-Y449 HydrophobicContact CD1-CD2 4.02Å; I83-Y449 HydrophobicContact CD1-CG 4.27Å; I83-Y449 HydrophobicContact CG2-CD2 3.37Å; I83-Y449 HydrophobicContact CG2-CE2 3.21Å; I83-Y449 HydrophobicContact CG2-CG 4.26Å; V445-Y449 CarbonylContact C-O 3.24Å; V445-Y449 VanDerWaalsContact CA-O 3.27Å; V445-Y449 WeakPolarHBondContact CA-O 3.13Å; V446-Y449 PolarHBondContact N-O 3.24Å; V446-Y449 PolarHBondContact O-N 3.38Å; V446-Y449 VanDerWaalsContact O-N 3.08Å
450	F	91.4	Very high	89.9	Confident	43 Å²	43	47.5 Å²	47.5	19%	0.189	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123	172.1	179.6	-101.2	0	0	0	111	M45 G46 A47 P49 N443 V445 K452	M45-F450 HydrophobicContact CB-CD2 3.98Å; M45-F450 HydrophobicContact CB-CE2 4.37Å; M45-F450 HydrophobicContact CB-CG 4.34Å; M45-F450 HydrophobicContact CE-CD2 3.94Å; M45-F450 HydrophobicContact CE-CE2 3.32Å; M45-F450 HydrophobicContact CE-CZ 4.03Å; M45-F450 WeakPolarHBondContact O-CB 3.12Å; M45-F450 WeakPolarHBondContact O-CD2 3.42Å; G46-F450 WeakPolarHBondContact O-CB 3.48Å; A47-F450 PolarHBondContact O-N 3.25Å; P49-F450 WeakPolarHBondContact CD-O 3.41Å; N443-F450 HydrophobicContact CB-CE2 3.62Å; N443-F450 HydrophobicContact CB-CZ 3.64Å; V445-F450 HydrophobicContact CG2-CD2 4.43Å; F450-K452 HydrophobicContact CE1-CB 4.31Å
451	I	91.5	Very high	90.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.2	176	-56.7	177	0	0	0	108.7	I83 V94 N443 F444 V446 I457	I83-I451 HydrophobicContact CD1-CD1 4.35Å; V94-I451 HydrophobicContact CG1-CD1 4.11Å; V94-I451 HydrophobicContact CG2-CG1 4.39Å; V94-I451 HydrophobicContact CG2-CG2 4Å; N443-I451 WeakPolarHBondContact CA-O 3.35Å; F444-I451 HydrophobicContact CD1-CB 4.16Å; F444-I451 HydrophobicContact CD1-CG2 4.27Å; F444-I451 HydrophobicContact CD2-CB 4.44Å; F444-I451 HydrophobicContact CD2-CD1 4.35Å; F444-I451 HydrophobicContact CE1-CB 3.79Å; F444-I451 HydrophobicContact CE1-CG2 3.48Å; F444-I451 VanDerWaalsContact CE1-CG2 3.48Å; F444-I451 HydrophobicContact CE2-CB 4.11Å; F444-I451 HydrophobicContact CE2-CD1 3.57Å; F444-I451 HydrophobicContact CE2-CG1 4.35Å; F444-I451 HydrophobicContact CE2-CG2 4.36Å; F444-I451 HydrophobicContact CG-CB 4.46Å; F444-I451 HydrophobicContact CZ-CB 3.76Å; F444-I451 HydrophobicContact CZ-CD1 3.7Å; F444-I451 HydrophobicContact CZ-CG1 4.31Å; F444-I451 HydrophobicContact CZ-CG2 3.53Å; F444-I451 PolarHBondContact N-O 3.4Å; F444-I451 WeakPolarHBondContact O-CA 3.28Å; F444-I451 PolarHBondContact O-N 3.05Å; V446-I451 HydrophobicContact CB-CD1 4.08Å; V446-I451 HydrophobicContact CG2-CD1 3.84Å; I451-I457 HydrophobicContact CG2-CD1 3.86Å
452	K	89.3	Confident	91.1	Very high	140 Å²	140	39.6 Å²	39.6	61%	0.609	22%	0.222	S	C	*	.			trans	-71.2	138	178.1	-170.3	-178.6	177	174	0	111.2	N443 F450 S455	N443-K452 WeakPolarHBondContact OD1-CA 3.23Å; F450-K452 HydrophobicContact CE1-CB 4.31Å; K452-S455 VanDerWaalsContact O-CB 3.24Å; K452-S455 WeakPolarHBondContact O-CB 3.08Å; K452-S455 PolarHBondContact O-N 2.98Å; K452-S455 PolarHBondContact O-OG 2.97Å
453	G	88.8	Confident	91.6	Very high	18 Å²	18	34 Å²	34	19%	0.186	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	141.5	168.9	0	0	0	0	0	112.3	K441 E442 N443 S455	K441-G453 WeakPolarHBondContact O-CA 3.09Å; E442-G453 WeakPolarHBondContact O-CA 3.21Å; N443-G453 PolarHBondContact OD1-N 3.2Å; G453-S455 VanDerWaalsContact C-N 3.33Å
454	G	88.1	Confident	92	Very high	52 Å²	52	29.7 Å²	29.7	54%	0.536	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-3.2	-171.8	0	0	0	0	0	114.5	C440	C440-G454 PolarHBondContact O-N 2.79Å
455	S	92.4	Very high	92.4	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	17%	0.17	C	C	.	.			trans	-71	137.1	173.3	-56.3	0	0	0	0	111.6	P92 K452 G453	P92-S455 WeakPolarHBondContact O-CA 3.43Å; K452-S455 VanDerWaalsContact O-CB 3.24Å; K452-S455 WeakPolarHBondContact O-CB 3.08Å; K452-S455 PolarHBondContact O-N 2.98Å; K452-S455 PolarHBondContact O-OG 2.97Å; G453-S455 VanDerWaalsContact C-N 3.33Å
456	M	93.7	Very high	92.8	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.025	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134	167.5	178.8	171.2	74.5	0	0	108.9	M88 V91 P92 T93 V94 A115 L117 F243 P437 H438 V458	M88-M456 HydrophobicContact SD-CE 3.77Å; V91-M456 HydrophobicContact CG1-CB 3.86Å; P92-M456 PolarHBondContact O-N 2.74Å; T93-M456 CarbonylContact C-O 3.49Å; T93-M456 VanDerWaalsContact CA-O 3.24Å; T93-M456 WeakPolarHBondContact CA-O 3.37Å; T93-M456 HydrophobicContact CG2-CB 4.49Å; T93-M456 HydrophobicContact CG2-CE 3.46Å; T93-M456 VanDerWaalsContact CG2-CE 3.46Å; T93-M456 WeakPolarHBondContact OG1-CE 3.32Å; V94-M456 PolarHBondContact N-O 2.86Å; A115-M456 HydrophobicContact CB-CB 4.29Å; A115-M456 HydrophobicContact CB-CG 3.77Å; A115-M456 HydrophobicContact CB-SD 4.03Å; L117-M456 HydrophobicContact CD1-SD 4.18Å; L117-M456 HydrophobicContact CD2-SD 4.11Å; F243-M456 HydrophobicContact CE1-CE 3.69Å; F243-M456 HydrophobicContact CE1-SD 4.17Å; F243-M456 HydrophobicContact CZ-CE 3.82Å; F243-M456 HydrophobicContact CZ-SD 4.4Å; P437-M456 HydrophobicContact CB-CG 3.85Å; P437-M456 HydrophobicContact CB-SD 3.74Å; P437-M456 HydrophobicContact CG-SD 4.24Å; H438-M456 CarbonylContact O-C 3.29Å; H438-M456 WeakPolarHBondContact O-CA 3.35Å; M456-V458 HydrophobicContact CE-CG2 3.98Å; M456-V458 HydrophobicContact CG-CG2 4.29Å
457	I	94.6	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.5	177.2	-40	-62.4	0	0	0	109.5	V94 L96 F105 M111 P437 H438 F444 I451	V94-I457 HydrophobicContact CB-CD1 3.8Å; V94-I457 HydrophobicContact CG2-CD1 4.21Å; V94-I457 CarbonylContact O-C 3.48Å; V94-I457 WeakPolarHBondContact O-CA 3.36Å; L96-I457 HydrophobicContact CD1-CG2 3.97Å; L96-I457 HydrophobicContact CG-CG2 4.05Å; F105-I457 HydrophobicContact CD2-CG2 4.47Å; F105-I457 HydrophobicContact CE1-CG2 4.18Å; F105-I457 HydrophobicContact CE2-CB 4.06Å; F105-I457 HydrophobicContact CE2-CG1 3.89Å; F105-I457 HydrophobicContact CE2-CG2 3.61Å; F105-I457 HydrophobicContact CZ-CB 3.6Å; F105-I457 HydrophobicContact CZ-CG1 3.76Å; F105-I457 HydrophobicContact CZ-CG2 3.42Å; F105-I457 VanDerWaalsContact CZ-CG2 3.42Å; M111-I457 HydrophobicContact CE-CG1 4.24Å; P437-I457 WeakPolarHBondContact CA-O 3.24Å; H438-I457 HydrophobicContact CB-CB 4.18Å; H438-I457 PolarHBondContact N-O 3.15Å; H438-I457 PolarHBondContact O-N 2.96Å; F444-I457 HydrophobicContact CZ-CD1 3.9Å; F444-I457 HydrophobicContact CZ-CG1 4.17Å; I451-I457 HydrophobicContact CG2-CD1 3.86Å
458	V	95	Very high	94	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.4	179.8	176.1	0	0	0	0	108.3	L73 T93 V94 V95 L96 L434 P437 M456	L73-V458 HydrophobicContact CD1-CG1 4.36Å; T93-V458 HydrophobicContact CG2-CG2 3.88Å; V94-V458 PolarHBondContact O-N 3.3Å; V95-V458 CarbonylContact C-O 3.48Å; V95-V458 VanDerWaalsContact CA-O 3.3Å; V95-V458 WeakPolarHBondContact CA-O 3.22Å; V95-V458 HydrophobicContact CG2-CB 4.31Å; L96-V458 PolarHBondContact N-O 2.86Å; L434-V458 HydrophobicContact CB-CG1 4.01Å; L434-V458 HydrophobicContact CD2-CG1 4.28Å; L434-V458 WeakPolarHBondContact O-CG1 3.41Å; P437-V458 HydrophobicContact CB-CG2 4.49Å; P437-V458 HydrophobicContact CG-CG2 4.47Å; M456-V458 HydrophobicContact CE-CG2 3.98Å; M456-V458 HydrophobicContact CG-CG2 4.29Å
459	C	95	Very high	94.5	Very high	4 Å²	4	30 Å²	30	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.4	175.1	-63.4	0	0	0	0	108.4	L96 V102 F106 L434 G435 E461	L96-C459 CarbonylContact O-C 3.55Å; V102-C459 HydrophobicContact CG1-CB 4.44Å; V102-C459 HydrophobicContact CG2-CB 4.14Å; F106-C459 HydrophobicContact CE2-CB 4.25Å; F106-C459 HydrophobicContact CZ-CB 4.37Å; L434-C459 CarbonylContact C-O 3.09Å; L434-C459 VanDerWaalsContact O-O 3.09Å; G435-C459 PolarHBondContact N-O 2.81Å; C459-E461 PolarHBondContact O-N 3.39Å
460	S	96.8	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.169	C	C	.	.			trans	-81.6	85.3	-177.8	-169.5	0	0	0	0	111.1	L96 W462 A463 I464	L96-S460 PolarHBondContact O-N 3.16Å; S460-W462 PolarHBondContact O-N 3.21Å; S460-A463 PolarHBondContact O-N 2.93Å; S460-A463 VanDerWaalsContact O-N 3.17Å; S460-A463 WeakPolarHBondContact OG-CB 3.44Å; S460-A463 PolarHBondContact OG-N 3.38Å; S460-I464 WeakPolarHBondContact O-CG1 3.46Å; S460-I464 PolarHBondContact O-N 2.71Å
461	E	96.8	Very high	95	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.065	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-37.4	171.8	-67.9	-178	-169.2	0	0	111.6	P433 C459 I464 H465	P433-E461 PolarHBondContact O-N 2.83Å; C459-E461 PolarHBondContact O-N 3.39Å; E461-I464 PolarHBondContact O-N 3.25Å; E461-H465 VanDerWaalsContact O-CB 3.32Å; E461-H465 WeakPolarHBondContact O-CB 3.32Å; E461-H465 VanDerWaalsContact O-CG 3.3Å; E461-H465 PolarHBondContact O-N 3.49Å
462	W	97.8	Very high	95.3	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-46.1	175.2	178.3	-87.5	0	0	0	112.4	H70 P433 S460 I464 H465 M466 L546	H70-W462 HydrophobicContact CB-CB 4.1Å; H70-W462 HydrophobicContact CB-CG 4.08Å; H70-W462 AromaticContact CD2-CD2 3.58Å; H70-W462 AromaticContact CD2-CE2 3.69Å; H70-W462 AromaticContact CD2-CE3 3.99Å; H70-W462 AromaticContact CD2-CG 3.84Å; H70-W462 AromaticContact CD2-NE1 3.95Å; P433-W462 HydrophobicContact CB-CB 3.71Å; P433-W462 HydrophobicContact CB-CE3 4.4Å; P433-W462 HydrophobicContact CB-CG 4.45Å; P433-W462 WeakPolarHBondContact O-CB 3.49Å; P433-W462 PolarHBondContact O-N 2.96Å; S460-W462 PolarHBondContact O-N 3.21Å; W462-I464 VanDerWaalsContact C-N 3.3Å; W462-I464 PolarHBondContact O-N 3.42Å; W462-H465 PolarHBondContact O-N 2.75Å; W462-M466 HydrophobicContact CD2-CG 3.96Å; W462-M466 HydrophobicContact CE3-CG 4.41Å; W462-M466 HydrophobicContact CG-CG 4.38Å; W462-M466 HydrophobicContact CH2-CG 4.38Å; W462-M466 HydrophobicContact CZ2-CE 4.38Å; W462-M466 HydrophobicContact CZ2-CG 3.92Å; W462-M466 WeakPolarHBondContact O-CB 3.23Å; W462-M466 VanDerWaalsContact O-CG 3.3Å; W462-M466 WeakPolarHBondContact O-CG 3.47Å; W462-M466 PolarHBondContact O-N 3.02Å; W462-L546 HydrophobicContact CE3-CD2 4.02Å; W462-L546 HydrophobicContact CH2-CD2 4.43Å; W462-L546 HydrophobicContact CZ3-CD2 3.54Å
463	A	98	Very high	95.7	Very high	8 Å²	8	27.8 Å²	27.8	7%	0.066	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-38.1	-179.9	0	0	0	0	0	111.7	Q74 A77 S460 D467	Q74-A463 HydrophobicContact CB-CB 4.45Å; Q74-A463 HydrophobicContact CG-CB 4.41Å; A77-A463 HydrophobicContact CB-CB 4.11Å; S460-A463 PolarHBondContact O-N 2.93Å; S460-A463 VanDerWaalsContact O-N 3.17Å; S460-A463 WeakPolarHBondContact OG-CB 3.44Å; S460-A463 PolarHBondContact OG-N 3.38Å; A463-D467 PolarHBondContact O-N 3.3Å
464	I	98	Very high	96.1	Very high	4 Å²	4	28 Å²	28	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-50	176.7	-64.6	166.1	0	0	0	111	S97 A99 V102 S460 E461 W462 M466 D467 Q494 I496	S97-I464 VanDerWaalsContact C-CG1 3.49Å; S97-I464 WeakPolarHBondContact O-CG1 3.28Å; A99-I464 HydrophobicContact CB-CG2 3.91Å; V102-I464 HydrophobicContact CB-CD1 4.48Å; V102-I464 HydrophobicContact CG2-CD1 3.88Å; S460-I464 WeakPolarHBondContact O-CG1 3.46Å; S460-I464 PolarHBondContact O-N 2.71Å; E461-I464 PolarHBondContact O-N 3.25Å; W462-I464 VanDerWaalsContact C-N 3.3Å; W462-I464 PolarHBondContact O-N 3.42Å; I464-M466 VanDerWaalsContact C-N 3.25Å; I464-M466 PolarHBondContact O-N 3.09Å; I464-D467 PolarHBondContact O-N 3.21Å; I464-Q494 HydrophobicContact CG2-CB 3.98Å; I464-Q494 WeakPolarHBondContact CG2-O 3.38Å; I464-I496 HydrophobicContact CD1-CD1 3.99Å
465	H	98.4	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.6	-19.8	-176.4	-71.6	179.2	0	0	0	113.6	R427 S430 E461 W462 F471 Q494 F495 I496	R427-H465 HydrophobicContact CG-CB 3.82Å; R427-H465 PolarHBondContact NH1-O 2.9Å; R427-H465 WeakPolarHBondContact O-CB 3.49Å; S430-H465 PolarHBondContact OG-ND1 3.47Å; E461-H465 VanDerWaalsContact O-CB 3.32Å; E461-H465 WeakPolarHBondContact O-CB 3.32Å; E461-H465 VanDerWaalsContact O-CG 3.3Å; E461-H465 PolarHBondContact O-N 3.49Å; W462-H465 PolarHBondContact O-N 2.75Å; H465-F471 VanDerWaalsContact O-CD2 3.32Å; H465-F471 WeakPolarHBondContact O-CD2 3.23Å; H465-Q494 PolarHBondContact CD2-O 3.35Å; H465-Q494 VanDerWaalsContact CD2-O 3.27Å; H465-Q494 PolarHBondContact NE2-O 3.25Å; H465-F495 AromaticContact NE2-CD2 3.97Å; H465-I496 PolarHBondContact NE2-N 3.06Å
466	M	97.8	Very high	96.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	15.2	178.5	-60.2	-59.7	-68.9	0	0	113.3	Q74 W462 I464 P468 P474 E475	Q74-M466 VanDerWaalsContact NE2-CB 3.28Å; Q74-M466 PolarHBondContact NE2-O 3.02Å; W462-M466 HydrophobicContact CD2-CG 3.96Å; W462-M466 HydrophobicContact CE3-CG 4.41Å; W462-M466 HydrophobicContact CG-CG 4.38Å; W462-M466 HydrophobicContact CH2-CG 4.38Å; W462-M466 HydrophobicContact CZ2-CE 4.38Å; W462-M466 HydrophobicContact CZ2-CG 3.92Å; W462-M466 WeakPolarHBondContact O-CB 3.23Å; W462-M466 VanDerWaalsContact O-CG 3.3Å; W462-M466 WeakPolarHBondContact O-CG 3.47Å; W462-M466 PolarHBondContact O-N 3.02Å; I464-M466 VanDerWaalsContact C-N 3.25Å; I464-M466 PolarHBondContact O-N 3.09Å; M466-P468 WeakPolarHBondContact O-CD 3.49Å; M466-P474 HydrophobicContact CE-CB 3.96Å; M466-P474 HydrophobicContact CE-CG 4.42Å; M466-P474 WeakPolarHBondContact CE-O 3.09Å; M466-P474 HydrophobicContact SD-CB 4.16Å; M466-E475 HydrophobicContact CE-CB 4.43Å; M466-E475 HydrophobicContact CE-CG 3.62Å; M466-E475 WeakPolarHBondContact CE-OE1 3.46Å
467	D	97.1	Very high	97	Very high	61 Å²	61	35.2 Å²	35.2	33%	0.326	20%	0.196	S	C	.	.			trans	-74.4	115.5	172.7	-176.9	-2.9	0	0	0	109.8	A463 I464 V469 A470 F471	A463-D467 PolarHBondContact O-N 3.3Å; I464-D467 PolarHBondContact O-N 3.21Å; D467-V469 PolarHBondContact O-N 2.92Å; D467-V469 WeakPolarHBondContact OD1-CB 3.43Å; D467-V469 PolarHBondContact OD1-N 3.23Å; D467-A470 HydrophobicContact CB-CB 4.39Å; D467-A470 PolarHBondContact O-N 3.07Å; D467-F471 PolarHBondContact O-N 3.21Å
468	P	96.7	Very high	97.2	Very high	64 Å²	64	39.1 Å²	39.1	42%	0.416	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.4	179	28.7	-36.7	0	0	0	114	M466 F471 P474	M466-P468 WeakPolarHBondContact O-CD 3.49Å; P468-F471 WeakPolarHBondContact CA-O 3.42Å; P468-P474 HydrophobicContact CB-CG 4.33Å
469	V	95.4	Very high	97.4	Very high	130 Å²	130	38.8 Å²	38.8	79%	0.788	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-44.1	174.8	179.8	0	0	0	0	110.5	D467	D467-V469 PolarHBondContact O-N 2.92Å; D467-V469 WeakPolarHBondContact OD1-CB 3.43Å; D467-V469 PolarHBondContact OD1-N 3.23Å
470	A	95.5	Very high	97.5	Very high	27 Å²	27	41.4 Å²	41.4	22%	0.223	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-35.1	177.8	0	0	0	0	0	112.7	D467 Q494	D467-A470 HydrophobicContact CB-CB 4.39Å; D467-A470 PolarHBondContact O-N 3.07Å; A470-Q494 HydrophobicContact CB-CB 3.94Å; A470-Q494 HydrophobicContact CB-CG 3.61Å
471	F	97.8	Very high	97.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	23%	0.227	C	C	.	.	S	Bend	trans	-131.7	87.5	-176.3	-58.9	-78	0	0	0	110.2	R427 H465 D467 P468 E473 P474 P492 Q494 F495	R427-F471 HydrophobicContact CG-CD1 4.48Å; R427-F471 HydrophobicContact CG-CE1 4.2Å; R427-F471 HydrophobicContact CG-CE2 4.43Å; R427-F471 HydrophobicContact CG-CZ 4.17Å; H465-F471 VanDerWaalsContact O-CD2 3.32Å; H465-F471 WeakPolarHBondContact O-CD2 3.23Å; D467-F471 PolarHBondContact O-N 3.21Å; P468-F471 WeakPolarHBondContact CA-O 3.42Å; F471-E473 PolarHBondContact O-N 3.01Å; F471-P474 HydrophobicContact CB-CB 4.37Å; F471-P474 WeakPolarHBondContact O-CB 3.4Å; F471-P474 VanDerWaalsContact O-CD 3.26Å; F471-P474 WeakPolarHBondContact O-CD 3.45Å; F471-P492 HydrophobicContact CE1-CB 4.03Å; F471-P492 HydrophobicContact CE1-CG 3.89Å; F471-P492 HydrophobicContact CZ-CB 4.27Å; F471-Q494 HydrophobicContact CE2-CB 3.64Å; F471-Q494 HydrophobicContact CZ-CB 3.88Å; F471-F495 HydrophobicContact CZ-CB 4.34Å
472	P	97.8	Very high	97.7	Very high	75 Å²	75	42.4 Å²	42.4	49%	0.487	22%	0.224	S	C	.	.	S	Bend	trans	-53.6	136	177.5	-27.5	35.3	0	0	0	111.9	R481	P472-R481 PolarHBondContact O-NH1 2.64Å; P472-R481 PolarHBondContact O-NH2 2.89Å
473	E	97.9	Very high	97.7	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	23%	0.23	S	C	.	.	S	Bend	trans	54.3	58.3	-174.4	-58.6	161.2	125.5	0	0	112.2	F471 E475 E476 R478 R481	F471-E473 PolarHBondContact O-N 3.01Å; E473-E475 PolarHBondContact O-N 3.3Å; E473-E475 VanDerWaalsContact O-N 3.11Å; E473-E476 HydrophobicContact CB-CB 4.41Å; E473-E476 HydrophobicContact CB-CG 4.14Å; E473-E476 PolarHBondContact O-N 2.83Å; E473-R478 IonicContact OE2-CZ 3.1Å; E473-R478 IonicContact OE2-NH1 3.93Å; E473-R478 PolarHBondContact OE2-NH1 3.28Å; E473-R481 PolarHBondContact O-NH2 3.02Å
474	P	97.7	Very high	97.7	Very high	22 Å²	22	45.1 Å²	45.1	14%	0.143	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.5	-165.8	25.2	-34	0	0	0	114.7	R427 M466 P468 F471	R427-P474 PolarHBondContact NH1-O 3.21Å; R427-P474 PolarHBondContact NH2-O 3.18Å; M466-P474 HydrophobicContact CE-CB 3.96Å; M466-P474 HydrophobicContact CE-CG 4.42Å; M466-P474 WeakPolarHBondContact CE-O 3.09Å; M466-P474 HydrophobicContact SD-CB 4.16Å; P468-P474 HydrophobicContact CB-CG 4.33Å; F471-P474 HydrophobicContact CB-CB 4.37Å; F471-P474 WeakPolarHBondContact O-CB 3.4Å; F471-P474 VanDerWaalsContact O-CD 3.26Å; F471-P474 WeakPolarHBondContact O-CD 3.45Å
475	E	97.1	Very high	97.6	Very high	104 Å²	104	50.6 Å²	50.6	49%	0.486	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.9	177.6	-66.5	-74.6	179	0	0	113.3	I428 R429 M466 E473	I428-E475 WeakPolarHBondContact CD1-O 3.42Å; R429-E475 IonicContact NH1-OE2 2.93Å; R429-E475 IonicContact NH2-OE2 3.8Å; M466-E475 HydrophobicContact CE-CB 4.43Å; M466-E475 HydrophobicContact CE-CG 3.62Å; M466-E475 WeakPolarHBondContact CE-OE1 3.46Å; E473-E475 PolarHBondContact O-N 3.3Å; E473-E475 VanDerWaalsContact O-N 3.11Å
476	E	97.9	Very high	97.5	Very high	96 Å²	96	57.1 Å²	57.1	45%	0.449	32%	0.319	S	S	.	.	S	Bend	trans	-88.1	135	173.2	-64.4	-168.9	171.8	0	0	110.8	E473 R478 R481	E473-E476 HydrophobicContact CB-CB 4.41Å; E473-E476 HydrophobicContact CB-CG 4.14Å; E473-E476 PolarHBondContact O-N 2.83Å; E476-R478 HydrophobicContact CB-CG 4.04Å; E476-R478 PolarHBondContact O-N 3.14Å; E476-R478 VanDerWaalsContact O-N 3.17Å; E476-R478 WeakPolarHBondContact OE2-CD 3.21Å; E476-R481 PolarHBondContact O-NH2 3.34Å
477	F	98.5	Very high	97.4	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.057	33%	0.334	C	S	.	.			trans	-77.6	99.6	174.3	-170.2	-89.3	0	0	0	109.6	Y385 L386 E389 C392 E424 I428 P479	Y385-F477 HydrophobicContact CD1-CB 3.81Å; Y385-F477 AromaticContact CD1-CD2 3.37Å; Y385-F477 HydrophobicContact CD1-CD2 3.37Å; Y385-F477 HydrophobicContact CD1-CE2 4.16Å; Y385-F477 AromaticContact CD1-CG 3.75Å; Y385-F477 HydrophobicContact CD1-CG 3.75Å; Y385-F477 HydrophobicContact CD2-CD2 4.18Å; Y385-F477 HydrophobicContact CD2-CE2 4.32Å; Y385-F477 HydrophobicContact CE1-CB 4.02Å; Y385-F477 AromaticContact CE1-CD2 3.89Å; Y385-F477 HydrophobicContact CE1-CD2 3.89Å; Y385-F477 HydrophobicContact CE1-CG 4.33Å; Y385-F477 AromaticContact CG-CD2 3.53Å; Y385-F477 HydrophobicContact CG-CD2 3.53Å; Y385-F477 AromaticContact CG-CE2 3.83Å; Y385-F477 HydrophobicContact CG-CE2 3.83Å; Y385-F477 HydrophobicContact CG-CG 4.25Å; L386-F477 HydrophobicContact CD2-CE1 4.36Å; L386-F477 HydrophobicContact CD2-CZ 4.04Å; E389-F477 HydrophobicContact CB-CD1 4.37Å; E389-F477 HydrophobicContact CG-CB 3.95Å; E389-F477 HydrophobicContact CG-CD1 4.17Å; E389-F477 HydrophobicContact CG-CG 4.23Å; C392-F477 HydrophobicContact CB-CE1 4.33Å; E424-F477 HydrophobicContact CB-CE2 4.06Å; E424-F477 HydrophobicContact CB-CZ 4.14Å; E424-F477 HydrophobicContact CG-CD1 4.3Å; E424-F477 HydrophobicContact CG-CD2 3.68Å; E424-F477 HydrophobicContact CG-CE1 4.34Å; E424-F477 HydrophobicContact CG-CE2 3.7Å; E424-F477 HydrophobicContact CG-CG 3.98Å; E424-F477 HydrophobicContact CG-CZ 4.05Å; I428-F477 HydrophobicContact CD1-CB 4.31Å; I428-F477 HydrophobicContact CG2-CD2 4.12Å; F477-P479 HydrophobicContact CD1-CG 4.01Å; F477-P479 HydrophobicContact CE1-CG 3.52Å; F477-P479 HydrophobicContact CZ-CG 4.28Å
478	R	98.2	Very high	97.4	Very high	81 Å²	81	57.7 Å²	57.7	31%	0.306	34%	0.336	S	S	.	.			trans	-129.2	90.5	-178.4	-61.8	173.9	48	-161.2	-1.4	110.7	E424 E473 E476 E480 R481	E424-R478 PolarHBondContact OE1-N 3.11Å; E473-R478 IonicContact OE2-CZ 3.1Å; E473-R478 IonicContact OE2-NH1 3.93Å; E473-R478 PolarHBondContact OE2-NH1 3.28Å; E476-R478 HydrophobicContact CB-CG 4.04Å; E476-R478 PolarHBondContact O-N 3.14Å; E476-R478 VanDerWaalsContact O-N 3.17Å; E476-R478 WeakPolarHBondContact OE2-CD 3.21Å; R478-E480 PolarHBondContact O-N 3.08Å; R478-E480 VanDerWaalsContact O-N 3.08Å; R478-R481 HydrophobicContact CB-CG 4.25Å; R478-R481 VanDerWaalsContact O-CD 3.27Å; R478-R481 WeakPolarHBondContact O-CD 3.34Å; R478-R481 WeakPolarHBondContact O-CG 3.23Å; R478-R481 PolarHBondContact O-N 3.32Å; R478-R481 PolarHBondContact O-NE 3.39Å
479	P	98.6	Very high	97.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-55.5	-25.3	175.7	-26.4	36	0	0	0	113.7	Y417 A420 C421 E424 F477 R481 F482	Y417-P479 HydrophobicContact CD2-CB 4.32Å; Y417-P479 HydrophobicContact CE2-CB 3.68Å; Y417-P479 HydrophobicContact CE2-CG 4.27Å; A420-P479 HydrophobicContact CB-CB 3.97Å; A420-P479 WeakPolarHBondContact CB-O 3.25Å; C421-P479 HydrophobicContact CB-CG 4.39Å; C421-P479 WeakPolarHBondContact SG-CG 3.41Å; E424-P479 HydrophobicContact CB-CG 4.48Å; F477-P479 HydrophobicContact CD1-CG 4.01Å; F477-P479 HydrophobicContact CE1-CG 3.52Å; F477-P479 HydrophobicContact CZ-CG 4.28Å; P479-R481 PolarHBondContact O-N 2.95Å; P479-F482 WeakPolarHBondContact O-CB 3.45Å; P479-F482 PolarHBondContact O-N 3.04Å
480	E	98.1	Very high	97.7	Very high	59 Å²	59	56.9 Å²	56.9	28%	0.276	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-58.6	-18.2	-179.9	-65.3	71.2	-154.3	0	0	113.6	R395 Y417 R478 F482 L483	R395-E480 IonicContact NH1-OE1 3.51Å; R395-E480 PolarHBondContact NH1-OE1 2.84Å; R395-E480 VanDerWaalsContact NH1-OE1 3.1Å; Y417-E480 WeakPolarHBondContact CE2-OE1 3.47Å; Y417-E480 PolarHBondContact OH-OE1 3.24Å; Y417-E480 VanDerWaalsContact OH-OE1 3.08Å; R478-E480 PolarHBondContact O-N 3.08Å; R478-E480 VanDerWaalsContact O-N 3.08Å; E480-F482 PolarHBondContact O-N 3.42Å; E480-L483 PolarHBondContact O-N 2.75Å
481	R	97.8	Very high	97.8	Very high	35 Å²	35	57.5 Å²	57.5	13%	0.132	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22.3	171.8	-56.8	164.5	-162.1	-63	4.4	113.4	E424 P472 E473 E476 R478 P479	E424-R481 IonicContact OE1-CZ 2.74Å; E424-R481 IonicContact OE1-NE 2.67Å; E424-R481 PolarHBondContact OE1-NE 3.25Å; E424-R481 IonicContact OE1-NH2 3.94Å; E424-R481 WeakPolarHBondContact OE2-CD 3.44Å; E424-R481 IonicContact OE2-NE 2.65Å; P472-R481 PolarHBondContact O-NH1 2.64Å; P472-R481 PolarHBondContact O-NH2 2.89Å; E473-R481 PolarHBondContact O-NH2 3.02Å; E476-R481 PolarHBondContact O-NH2 3.34Å; R478-R481 HydrophobicContact CB-CG 4.25Å; R478-R481 VanDerWaalsContact O-CD 3.27Å; R478-R481 WeakPolarHBondContact O-CD 3.34Å; R478-R481 WeakPolarHBondContact O-CG 3.23Å; R478-R481 PolarHBondContact O-N 3.32Å; R478-R481 PolarHBondContact O-NE 3.39Å; P479-R481 PolarHBondContact O-N 2.95Å
482	F	98.6	Very high	97.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-102.6	12.3	-178.4	-66.7	-86.4	0	0	0	112.4	A420 E424 R427 P479 E480 Y489 Q490 A491 F495	A420-F482 HydrophobicContact CB-CB 3.81Å; E424-F482 HydrophobicContact CB-CD2 4.21Å; E424-F482 HydrophobicContact CB-CE2 3.99Å; E424-F482 WeakPolarHBondContact OE2-CE2 3.17Å; R427-F482 HydrophobicContact CB-CE2 4.44Å; R427-F482 HydrophobicContact CB-CZ 4.09Å; P479-F482 WeakPolarHBondContact O-CB 3.45Å; P479-F482 PolarHBondContact O-N 3.04Å; E480-F482 PolarHBondContact O-N 3.42Å; F482-Y489 HydrophobicContact CB-CD2 4.23Å; F482-Y489 HydrophobicContact CB-CE2 3.99Å; F482-Y489 HydrophobicContact CD1-CE2 4.22Å; F482-Y489 HydrophobicContact CG-CE2 4.45Å; F482-Y489 CarbonylContact O-C 3.05Å; F482-Y489 WeakPolarHBondContact O-CA 3.24Å; F482-Q490 CarbonylContact C-O 3.57Å; F482-Q490 VanDerWaalsContact C-O 3.27Å; F482-Q490 VanDerWaalsContact CA-O 3.24Å; F482-Q490 WeakPolarHBondContact CA-O 3.48Å; F482-Q490 PolarHBondContact O-N 3.02Å; F482-A491 HydrophobicContact CD1-CB 4.01Å; F482-A491 HydrophobicContact CE1-CB 4.18Å; F482-F495 HydrophobicContact CE1-CB 4.03Å; F482-F495 AromaticContact CE1-CD1 3.56Å; F482-F495 HydrophobicContact CE1-CD1 3.56Å; F482-F495 AromaticContact CE1-CD2 3.99Å; F482-F495 HydrophobicContact CE1-CD2 3.99Å; F482-F495 AromaticContact CE1-CE1 3.84Å; F482-F495 HydrophobicContact CE1-CE1 3.84Å; F482-F495 HydrophobicContact CE1-CE2 4.27Å; F482-F495 AromaticContact CE1-CG 3.6Å; F482-F495 HydrophobicContact CE1-CG 3.6Å; F482-F495 HydrophobicContact CE1-CZ 4.17Å; F482-F495 HydrophobicContact CZ-CB 4.44Å; F482-F495 HydrophobicContact CZ-CD1 4.27Å; F482-F495 AromaticContact CZ-CD2 3.86Å; F482-F495 HydrophobicContact CZ-CD2 3.86Å; F482-F495 HydrophobicContact CZ-CE1 4.4Å; F482-F495 HydrophobicContact CZ-CE2 4.05Å; F482-F495 AromaticContact CZ-CG 3.95Å; F482-F495 HydrophobicContact CZ-CG 3.95Å; F482-F495 HydrophobicContact CZ-CZ 4.28Å
483	L	98.5	Very high	97.6	Very high	27 Å²	27	59 Å²	59	14%	0.141	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-121.5	140.9	-179.4	-60	177.9	0	0	0	110.3	A416 Y417 A420 E480 A488	A416-L483 HydrophobicContact CB-CD2 4.03Å; Y417-L483 HydrophobicContact CD2-CD1 3.71Å; Y417-L483 HydrophobicContact CE2-CD1 4.24Å; A420-L483 HydrophobicContact CB-CD2 3.93Å; A420-L483 HydrophobicContact CB-CG 4.13Å; E480-L483 PolarHBondContact O-N 2.75Å; L483-A488 CarbonylContact C-O 3.58Å; L483-A488 VanDerWaalsContact CA-O 3.28Å; L483-A488 WeakPolarHBondContact CA-O 3.4Å
484	T	97.9	Very high	97.6	Very high	38 Å²	38	56.9 Å²	56.9	23%	0.233	32%	0.321	C	S	.	.			trans	-74.1	170.6	165.7	56.3	0	0	0	0	110.7	D486 G487 A488 Q490	T484-D486 WeakPolarHBondContact CB-OD1 3.46Å; T484-D486 PolarHBondContact O-N 3.01Å; T484-D486 PolarHBondContact OG1-OD1 3.35Å; T484-G487 PolarHBondContact O-N 2.82Å; T484-A488 PolarHBondContact N-O 2.8Å; T484-A488 WeakPolarHBondContact OG1-CA 3.21Å; T484-A488 WeakPolarHBondContact OG1-CB 3.3Å; T484-A488 PolarHBondContact OG1-N 3.09Å; T484-A488 PolarHBondContact OG1-O 2.77Å; T484-Q490 HydrophobicContact CG2-CB 3.75Å; T484-Q490 VanDerWaalsContact CG2-OE1 3.28Å
485	A	96.1	Very high	97.6	Very high	120 Å²	120	56.7 Å²	56.7	99%	0.992	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.1	178.4	0	0	0	0	0	113.4	G487	A485-G487 VanDerWaalsContact C-N 3.32Å
486	D	96.2	Very high	97.6	Very high	136 Å²	136	52.1 Å²	52.1	73%	0.727	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1	173.9	61.3	-46.1	0	0	0	113.6	T484	T484-D486 WeakPolarHBondContact CB-OD1 3.46Å; T484-D486 PolarHBondContact O-N 3.01Å; T484-D486 PolarHBondContact OG1-OD1 3.35Å
487	G	95.9	Very high	97.6	Very high	32 Å²	32	49 Å²	49	33%	0.33	29%	0.285	S	S	.	.	S	Bend	trans	87.9	6.9	174.8	0	0	0	0	0	115.4	A416 T484 A485	A416-G487 WeakPolarHBondContact CB-O 3.48Å; T484-G487 PolarHBondContact O-N 2.82Å; A485-G487 VanDerWaalsContact C-N 3.32Å
488	A	98.1	Very high	97.5	Very high	44 Å²	44	49.6 Å²	49.6	36%	0.364	29%	0.288	S	S	.	.			trans	-73.5	149.4	173.1	0	0	0	0	0	111.2	L483 T484 Q490	L483-A488 CarbonylContact C-O 3.58Å; L483-A488 VanDerWaalsContact CA-O 3.28Å; L483-A488 WeakPolarHBondContact CA-O 3.4Å; T484-A488 PolarHBondContact N-O 2.8Å; T484-A488 WeakPolarHBondContact OG1-CA 3.21Å; T484-A488 WeakPolarHBondContact OG1-CB 3.3Å; T484-A488 PolarHBondContact OG1-N 3.09Å; T484-A488 PolarHBondContact OG1-O 2.77Å; A488-Q490 PolarHBondContact O-N 2.89Å
489	Y	98.4	Very high	97.2	Very high	51 Å²	51	47 Å²	47	20%	0.2	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-72	126.4	177.4	174.7	-89.3	0	0	0	111.4	R419 S423 F482 A491	R419-Y489 HydrophobicContact CB-CD2 3.93Å; R419-Y489 HydrophobicContact CB-CE2 4.21Å; R419-Y489 HydrophobicContact CG-CD2 3.65Å; R419-Y489 HydrophobicContact CG-CE1 4.45Å; R419-Y489 HydrophobicContact CG-CE2 3.55Å; R419-Y489 HydrophobicContact CG-CG 4.14Å; R419-Y489 VanDerWaalsContact CZ-CE1 3.45Å; S423-Y489 WeakPolarHBondContact OG-CE2 3.2Å; S423-Y489 PolarHBondContact OG-OH 3.26Å; S423-Y489 VanDerWaalsContact OG-OH 3.1Å; F482-Y489 HydrophobicContact CB-CD2 4.23Å; F482-Y489 HydrophobicContact CB-CE2 3.99Å; F482-Y489 HydrophobicContact CD1-CE2 4.22Å; F482-Y489 HydrophobicContact CG-CE2 4.45Å; F482-Y489 CarbonylContact O-C 3.05Å; F482-Y489 WeakPolarHBondContact O-CA 3.24Å; Y489-A491 HydrophobicContact CE1-CB 4.26Å
490	Q	98.2	Very high	96.9	Very high	126 Å²	126	47.9 Å²	47.9	59%	0.589	29%	0.288	S	S	*	.			trans	-144.4	117.1	171.9	-174.2	177.5	31.9	0	0	110.4	F482 T484 A488	F482-Q490 CarbonylContact C-O 3.57Å; F482-Q490 VanDerWaalsContact C-O 3.27Å; F482-Q490 VanDerWaalsContact CA-O 3.24Å; F482-Q490 WeakPolarHBondContact CA-O 3.48Å; F482-Q490 PolarHBondContact O-N 3.02Å; T484-Q490 HydrophobicContact CG2-CB 3.75Å; T484-Q490 VanDerWaalsContact CG2-OE1 3.28Å; A488-Q490 PolarHBondContact O-N 2.89Å
491	A	97.5	Very high	96.6	Very high	40 Å²	40	46.4 Å²	46.4	33%	0.331	29%	0.289	S	S	.	.			trans	-83.1	134.1	175.5	0	0	0	0	0	112	F482 Y489 F495	F482-A491 HydrophobicContact CD1-CB 4.01Å; F482-A491 HydrophobicContact CE1-CB 4.18Å; Y489-A491 HydrophobicContact CE1-CB 4.26Å; A491-F495 HydrophobicContact CB-CD1 3.95Å
492	P	96.9	Very high	96.4	Very high	30 Å²	30	49.9 Å²	49.9	20%	0.195	30%	0.303	C	S	.	.			trans	-59.7	146.5	169.5	-25.8	36.8	0	0	0	111.5	F471 Q494 F495	F471-P492 HydrophobicContact CE1-CB 4.03Å; F471-P492 HydrophobicContact CE1-CG 3.89Å; F471-P492 HydrophobicContact CZ-CB 4.27Å; P492-Q494 PolarHBondContact O-N 3.4Å; P492-Q494 VanDerWaalsContact O-N 3.09Å; P492-F495 VanDerWaalsContact O-CB 3.32Å; P492-F495 WeakPolarHBondContact O-CB 3.41Å; P492-F495 PolarHBondContact O-N 3.23Å
493	P	96.1	Very high	96.1	Very high	78 Å²	78	50.8 Å²	50.8	51%	0.506	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.2	179	25.3	-32.5	0	0	0	112.6	R103 F495	R103-P493 PolarHBondContact NH1-O 3.33Å; R103-P493 PolarHBondContact NH2-O 3.21Å; P493-F495 PolarHBondContact O-N 3.13Å
494	Q	97.3	Very high	95.9	Very high	63 Å²	63	52.7 Å²	52.7	29%	0.294	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.8	175.7	-62.4	78.7	6.7	0	0	112.1	A99 I464 H465 A470 F471 P492 I496	A99-Q494 HydrophobicContact CB-CB 4.4Å; A99-Q494 HydrophobicContact CB-CG 4.2Å; I464-Q494 HydrophobicContact CG2-CB 3.98Å; I464-Q494 WeakPolarHBondContact CG2-O 3.38Å; H465-Q494 PolarHBondContact CD2-O 3.35Å; H465-Q494 VanDerWaalsContact CD2-O 3.27Å; H465-Q494 PolarHBondContact NE2-O 3.25Å; A470-Q494 HydrophobicContact CB-CB 3.94Å; A470-Q494 HydrophobicContact CB-CG 3.61Å; F471-Q494 HydrophobicContact CE2-CB 3.64Å; F471-Q494 HydrophobicContact CZ-CB 3.88Å; P492-Q494 PolarHBondContact O-N 3.4Å; P492-Q494 VanDerWaalsContact O-N 3.09Å; Q494-I496 PolarHBondContact O-N 3.37Å
495	F	98	Very high	95.9	Very high	18 Å²	18	53.2 Å²	53.2	8%	0.079	32%	0.32	C	S	.	.			trans	-81.7	105.5	176.1	-176.8	-118.6	0	0	0	111.2	S423 M426 R427 H465 F471 F482 A491 P492 P493 P497	S423-F495 VanDerWaalsContact O-CE2 3.25Å; S423-F495 WeakPolarHBondContact O-CE2 3.4Å; S423-F495 WeakPolarHBondContact O-CZ 3.36Å; M426-F495 HydrophobicContact CB-CE2 4.1Å; M426-F495 HydrophobicContact CB-CZ 4.08Å; M426-F495 HydrophobicContact CE-CZ 3.94Å; R427-F495 HydrophobicContact CB-CD2 3.91Å; R427-F495 HydrophobicContact CB-CE2 3.83Å; R427-F495 HydrophobicContact CG-CD2 4.32Å; H465-F495 AromaticContact NE2-CD2 3.97Å; F471-F495 HydrophobicContact CZ-CB 4.34Å; F482-F495 HydrophobicContact CE1-CB 4.03Å; F482-F495 AromaticContact CE1-CD1 3.56Å; F482-F495 HydrophobicContact CE1-CD1 3.56Å; F482-F495 AromaticContact CE1-CD2 3.99Å; F482-F495 HydrophobicContact CE1-CD2 3.99Å; F482-F495 AromaticContact CE1-CE1 3.84Å; F482-F495 HydrophobicContact CE1-CE1 3.84Å; F482-F495 HydrophobicContact CE1-CE2 4.27Å; F482-F495 AromaticContact CE1-CG 3.6Å; F482-F495 HydrophobicContact CE1-CG 3.6Å; F482-F495 HydrophobicContact CE1-CZ 4.17Å; F482-F495 HydrophobicContact CZ-CB 4.44Å; F482-F495 HydrophobicContact CZ-CD1 4.27Å; F482-F495 AromaticContact CZ-CD2 3.86Å; F482-F495 HydrophobicContact CZ-CD2 3.86Å; F482-F495 HydrophobicContact CZ-CE1 4.4Å; F482-F495 HydrophobicContact CZ-CE2 4.05Å; F482-F495 AromaticContact CZ-CG 3.95Å; F482-F495 HydrophobicContact CZ-CG 3.95Å; F482-F495 HydrophobicContact CZ-CZ 4.28Å; A491-F495 HydrophobicContact CB-CD1 3.95Å; P492-F495 VanDerWaalsContact O-CB 3.32Å; P492-F495 WeakPolarHBondContact O-CB 3.41Å; P492-F495 PolarHBondContact O-N 3.23Å; P493-F495 PolarHBondContact O-N 3.13Å; F495-P497 VanDerWaalsContact C-CD 3.48Å; F495-P497 HydrophobicContact CD1-CG 4.12Å; F495-P497 HydrophobicContact CD2-CG 4.33Å; F495-P497 HydrophobicContact CE1-CG 3.59Å; F495-P497 HydrophobicContact CE2-CB 3.98Å; F495-P497 HydrophobicContact CE2-CG 3.77Å; F495-P497 HydrophobicContact CZ-CB 3.99Å; F495-P497 HydrophobicContact CZ-CG 3.4Å; F495-P497 VanDerWaalsContact CZ-CG 3.4Å
496	I	96.8	Very high	95.9	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.041	28%	0.283	C	S	.	.			trans	-131.4	53.7	-177.4	53.5	169	0	0	0	112.1	V102 I464 H465 Q494 F498 S499	V102-I496 HydrophobicContact CB-CD1 4.45Å; V102-I496 HydrophobicContact CG1-CD1 3.79Å; I464-I496 HydrophobicContact CD1-CD1 3.99Å; H465-I496 PolarHBondContact NE2-N 3.06Å; Q494-I496 PolarHBondContact O-N 3.37Å; I496-F498 PolarHBondContact O-N 3.34Å; I496-F498 VanDerWaalsContact O-N 3.09Å; I496-S499 PolarHBondContact O-N 2.92Å
497	P	97	Very high	95.9	Very high	31 Å²	31	43.6 Å²	43.6	20%	0.201	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.3	-172.8	33	-42	0	0	0	114.4	M426 F495	M426-P497 HydrophobicContact CB-CB 4.06Å; M426-P497 HydrophobicContact CE-CG 4.34Å; M426-P497 HydrophobicContact SD-CB 4.27Å; F495-P497 VanDerWaalsContact C-CD 3.48Å; F495-P497 HydrophobicContact CD1-CG 4.12Å; F495-P497 HydrophobicContact CD2-CG 4.33Å; F495-P497 HydrophobicContact CE1-CG 3.59Å; F495-P497 HydrophobicContact CE2-CB 3.98Å; F495-P497 HydrophobicContact CE2-CG 3.77Å; F495-P497 HydrophobicContact CZ-CB 3.99Å; F495-P497 HydrophobicContact CZ-CG 3.4Å; F495-P497 VanDerWaalsContact CZ-CG 3.4Å
498	F	96.6	Very high	95.9	Very high	25 Å²	25	43.7 Å²	43.7	11%	0.11	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	17	177.6	-63.7	-71.6	0	0	0	111.8	M426 I496 C505 E508 A511	M426-F498 HydrophobicContact CE-CE2 4.33Å; M426-F498 HydrophobicContact SD-CE2 4.39Å; M426-F498 HydrophobicContact SD-CZ 4.15Å; I496-F498 PolarHBondContact O-N 3.34Å; I496-F498 VanDerWaalsContact O-N 3.09Å; F498-C505 HydrophobicContact CB-CB 3.87Å; F498-C505 HydrophobicContact CD1-CB 3.81Å; F498-C505 HydrophobicContact CG-CB 4.31Å; F498-C505 PolarHBondContact O-N 2.89Å; F498-E508 HydrophobicContact CB-CB 4.29Å; F498-E508 HydrophobicContact CB-CG 4.19Å; F498-E508 HydrophobicContact CD1-CB 4.04Å; F498-E508 HydrophobicContact CD1-CG 4.19Å; F498-E508 HydrophobicContact CD2-CB 4.32Å; F498-E508 HydrophobicContact CD2-CG 3.58Å; F498-E508 HydrophobicContact CE1-CB 4.47Å; F498-E508 HydrophobicContact CE2-CG 3.96Å; F498-E508 HydrophobicContact CG-CB 3.95Å; F498-E508 HydrophobicContact CG-CG 3.72Å; F498-E508 HydrophobicContact CZ-CG 4.4Å; F498-A511 HydrophobicContact CE1-CB 3.82Å; F498-A511 HydrophobicContact CZ-CB 4.07Å
499	S	93.4	Very high	95.8	Very high	27 Å²	27	43 Å²	43	19%	0.189	24%	0.239	C	C	.	.			trans	58.3	-157.4	-170.5	-167.7	0	0	0	0	112.2	F106 I496	F106-S499 WeakPolarHBondContact CE2-OG 3.41Å; I496-S499 PolarHBondContact O-N 2.92Å
500	S	91.8	Very high	95.8	Very high	17 Å²	17	41.1 Å²	41.1	12%	0.119	23%	0.233	C	C	.	.			trans	-151.3	171.1	178.7	66.4	0	0	0	0	112.3	F106 M504	F106-S500 WeakPolarHBondContact CB-O 3.11Å; F106-S500 VanDerWaalsContact CG-O 3.31Å; F106-S500 WeakPolarHBondContact CG-O 3.43Å; S500-M504 PolarHBondContact O-N 3.34Å
501	G	92.6	Very high	95.8	Very high	29 Å²	29	35.7 Å²	35.7	30%	0.299	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	62.6	-150.3	174.2	0	0	0	0	0	114.7	F106 R503 M504	F106-G501 WeakPolarHBondContact O-CA 3.48Å; G501-R503 PolarHBondContact O-N 3.33Å; G501-R503 VanDerWaalsContact O-N 3.11Å; G501-M504 WeakPolarHBondContact O-CB 3.19Å; G501-M504 VanDerWaalsContact O-CG 3.25Å; G501-M504 WeakPolarHBondContact O-CG 3.38Å; G501-M504 PolarHBondContact O-N 2.77Å; G501-M504 VanDerWaalsContact O-N 3.1Å
502	Y	92.3	Very high	95.8	Very high	108 Å²	108	36.2 Å²	36.2	42%	0.424	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.9	-30.3	-169.7	-74	-61.4	0	0	0	114.2	F106 R107 T112 W137 R141	F106-Y502 PolarHBondContact O-N 3.43Å; R107-Y502 WeakPolarHBondContact O-CE2 3.29Å; T112-Y502 HydrophobicContact CG2-CD2 4.42Å; T112-Y502 HydrophobicContact CG2-CG 4.31Å; W137-Y502 WeakPolarHBondContact CH2-O 3.22Å; W137-Y502 VanDerWaalsContact CZ2-O 3.26Å; W137-Y502 WeakPolarHBondContact CZ2-O 3.31Å; R141-Y502 PolarHBondContact NE-O 2.84Å; R141-Y502 PolarHBondContact NH2-O 2.89Å
503	R	93	Very high	95.8	Very high	18 Å²	18	34.9 Å²	34.9	7%	0.068	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-102.6	13.4	-177.3	-74.7	-67.4	-133.9	-110.3	10.9	113.6	F106 T112 A132 W137 G501	F106-R503 HydrophobicContact CD1-CB 4.34Å; F106-R503 HydrophobicContact CE1-CB 4.27Å; T112-R503 PolarHBondContact O-NH1 3.19Å; T112-R503 PolarHBondContact O-NH2 3.15Å; A132-R503 PolarHBondContact O-NH2 3.34Å; W137-R503 VanDerWaalsContact CD1-NH1 3.31Å; W137-R503 VanDerWaalsContact CZ2-CD 3.46Å; W137-R503 HydrophobicContact CZ2-CG 4.26Å; W137-R503 VanDerWaalsContact CZ2-NH1 3.3Å; W137-R503 VanDerWaalsContact NE1-NH1 3.18Å; G501-R503 PolarHBondContact O-N 3.33Å; G501-R503 VanDerWaalsContact O-N 3.11Å
504	M	94.6	Very high	95.9	Very high	67 Å²	67	31.3 Å²	31.3	33%	0.33	17%	0.17	S	C	.	.	S	Bend	trans	-56.1	151.9	174.4	70.1	-175.4	-70	0	0	112.2	R141 S500 G501 P506 E508	R141-M504 VanDerWaalsContact CZ-O 3.31Å; R141-M504 PolarHBondContact NH1-O 2.79Å; R141-M504 PolarHBondContact NH2-O 3.44Å; S500-M504 PolarHBondContact O-N 3.34Å; G501-M504 WeakPolarHBondContact O-CB 3.19Å; G501-M504 VanDerWaalsContact O-CG 3.25Å; G501-M504 WeakPolarHBondContact O-CG 3.38Å; G501-M504 PolarHBondContact O-N 2.77Å; G501-M504 VanDerWaalsContact O-N 3.1Å; M504-P506 WeakPolarHBondContact O-CD 3.44Å; M504-E508 WeakPolarHBondContact CE-OE2 3.15Å
505	C	96.9	Very high	96	Very high	49 Å²	49	28.5 Å²	28.5	33%	0.331	16%	0.157	S	C	.	.			trans	-55.5	121.2	-179.7	-176.1	0	0	0	0	111	F498 G507	F498-C505 HydrophobicContact CB-CB 3.87Å; F498-C505 HydrophobicContact CD1-CB 3.81Å; F498-C505 HydrophobicContact CG-CB 4.31Å; F498-C505 PolarHBondContact O-N 2.89Å; C505-G507 PolarHBondContact O-N 2.97Å; C505-G507 PolarHBondContact SG-N 3.14Å
506	P	96.6	Very high	96.1	Very high	35 Å²	35	28.5 Å²	28.5	23%	0.227	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.5	177.6	29	-34.1	0	0	0	112.6	I129 I145 L148 M153 M504	I129-P506 HydrophobicContact CD1-CG 4.35Å; I145-P506 HydrophobicContact CG1-CB 4.15Å; L148-P506 HydrophobicContact CD1-CB 4.41Å; M153-P506 WeakPolarHBondContact CE-O 3.33Å; M504-P506 WeakPolarHBondContact O-CD 3.44Å
507	G	96.5	Very high	96.1	Very high	19 Å²	19	28.1 Å²	28.1	20%	0.196	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17.1	-178.2	0	0	0	0	0	114.9	C505 E509 M510 A511	C505-G507 PolarHBondContact O-N 2.97Å; C505-G507 PolarHBondContact SG-N 3.14Å; G507-E509 PolarHBondContact O-N 3.39Å; G507-M510 WeakPolarHBondContact O-CB 3.24Å; G507-M510 PolarHBondContact O-N 2.88Å; G507-A511 WeakPolarHBondContact O-CB 3.27Å; G507-A511 PolarHBondContact O-N 3.05Å
508	E	96.2	Very high	96.2	Very high	34 Å²	34	26.6 Å²	26.6	16%	0.159	15%	0.147	C	C	.	.	H	α-helix	trans	-52.8	-49.8	-175.5	171.2	176.8	-173.2	0	0	113	F498 M504 A511 R512	F498-E508 HydrophobicContact CB-CB 4.29Å; F498-E508 HydrophobicContact CB-CG 4.19Å; F498-E508 HydrophobicContact CD1-CB 4.04Å; F498-E508 HydrophobicContact CD1-CG 4.19Å; F498-E508 HydrophobicContact CD2-CB 4.32Å; F498-E508 HydrophobicContact CD2-CG 3.58Å; F498-E508 HydrophobicContact CE1-CB 4.47Å; F498-E508 HydrophobicContact CE2-CG 3.96Å; F498-E508 HydrophobicContact CG-CB 3.95Å; F498-E508 HydrophobicContact CG-CG 3.72Å; F498-E508 HydrophobicContact CZ-CG 4.4Å; M504-E508 WeakPolarHBondContact CE-OE2 3.15Å; E508-A511 PolarHBondContact O-N 3.07Å; E508-R512 VanDerWaalsContact CD-NH1 3.29Å; E508-R512 VanDerWaalsContact CG-NH1 3.34Å; E508-R512 WeakPolarHBondContact O-CG 3.41Å; E508-R512 PolarHBondContact O-N 3.21Å; E508-R512 IonicContact OE1-CZ 3.3Å; E508-R512 IonicContact OE1-NH1 3.66Å; E508-R512 PolarHBondContact OE1-NH1 3.39Å; E508-R512 IonicContact OE1-NH2 3.2Å; E508-R512 PolarHBondContact OE1-NH2 2.79Å
509	E	96.4	Very high	96.3	Very high	30 Å²	30	25.5 Å²	25.5	14%	0.14	14%	0.142	C	C	.	.	H	α-helix	trans	-69.4	-39.6	-179.6	-63.5	-54.7	120.2	0	0	111.8	M153 R155 G507 A511 R512 M513	M153-E509 HydrophobicContact CG-CB 3.72Å; M153-E509 HydrophobicContact SD-CB 4.3Å; R155-E509 HydrophobicContact CG-CG 4.43Å; R155-E509 WeakPolarHBondContact CG-OE2 3.48Å; R155-E509 IonicContact CZ-OE1 3.62Å; R155-E509 IonicContact CZ-OE2 3.63Å; R155-E509 IonicContact NE-OE1 2.76Å; R155-E509 PolarHBondContact NE-OE1 3.25Å; R155-E509 IonicContact NE-OE2 3.72Å; R155-E509 PolarHBondContact NE-OE2 3.49Å; R155-E509 IonicContact NH2-OE1 3.84Å; R155-E509 PolarHBondContact NH2-OE1 3.37Å; R155-E509 IonicContact NH2-OE2 3.86Å; G507-E509 PolarHBondContact O-N 3.39Å; E509-A511 VanDerWaalsContact C-N 3.33Å; E509-A511 PolarHBondContact O-N 2.8Å; E509-R512 PolarHBondContact O-N 3.24Å; E509-R512 IonicContact OE1-CZ 3.39Å; E509-R512 IonicContact OE1-NH1 2.8Å; E509-R512 PolarHBondContact OE1-NH1 2.85Å; E509-M513 WeakPolarHBondContact O-CG 3.43Å; E509-M513 PolarHBondContact O-N 3.19Å
510	M	96.7	Very high	96.6	Very high	12 Å²	12	24.2 Å²	24.2	6%	0.059	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-46.3	173.9	-175	67.7	71.5	0	0	111	L148 M153 L164 I168 L208 G507 R512 M513 I514	L148-M510 HydrophobicContact CD2-CE 4.17Å; M153-M510 HydrophobicContact CB-CE 4.11Å; M153-M510 HydrophobicContact CG-CB 4.07Å; M153-M510 HydrophobicContact CG-CE 4.47Å; M153-M510 HydrophobicContact SD-CB 3.93Å; L164-M510 HydrophobicContact CD1-CE 3.77Å; L164-M510 HydrophobicContact CD1-SD 3.85Å; L164-M510 HydrophobicContact CD2-CE 3.55Å; L164-M510 HydrophobicContact CD2-SD 3.78Å; L164-M510 HydrophobicContact CG-CE 4.29Å; L164-M510 HydrophobicContact CG-SD 4.23Å; I168-M510 HydrophobicContact CD1-SD 4.1Å; L208-M510 HydrophobicContact CD1-CE 4.07Å; L208-M510 HydrophobicContact CD1-SD 3.88Å; G507-M510 WeakPolarHBondContact O-CB 3.24Å; G507-M510 PolarHBondContact O-N 2.88Å; M510-R512 VanDerWaalsContact C-N 3.34Å; M510-R512 PolarHBondContact O-N 2.91Å; M510-M513 PolarHBondContact O-N 2.99Å; M510-I514 HydrophobicContact CG-CD1 3.91Å; M510-I514 VanDerWaalsContact O-CG1 3.31Å; M510-I514 WeakPolarHBondContact O-CG1 3.38Å; M510-I514 PolarHBondContact O-N 2.8Å; M510-I514 HydrophobicContact SD-CD1 4.4Å
511	A	98	Very high	96.9	Very high	11 Å²	11	24.1 Å²	24.1	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-42.1	177.1	0	0	0	0	0	111.3	F498 G507 E508 E509 M513 I514 L515	F498-A511 HydrophobicContact CE1-CB 3.82Å; F498-A511 HydrophobicContact CZ-CB 4.07Å; G507-A511 WeakPolarHBondContact O-CB 3.27Å; G507-A511 PolarHBondContact O-N 3.05Å; E508-A511 PolarHBondContact O-N 3.07Å; E509-A511 VanDerWaalsContact C-N 3.33Å; E509-A511 PolarHBondContact O-N 2.8Å; A511-M513 PolarHBondContact O-N 3.48Å; A511-I514 PolarHBondContact O-N 3.2Å; A511-L515 VanDerWaalsContact O-CB 3.28Å; A511-L515 WeakPolarHBondContact O-CB 3.46Å; A511-L515 WeakPolarHBondContact O-CG 3.19Å; A511-L515 PolarHBondContact O-N 2.75Å
512	R	97.7	Very high	97.2	Very high	52 Å²	52	22.8 Å²	22.8	20%	0.196	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-43.7	175.5	-75	-178.5	174.5	125.1	11.7	112.7	E508 E509 M510 T516	E508-R512 VanDerWaalsContact CD-NH1 3.29Å; E508-R512 VanDerWaalsContact CG-NH1 3.34Å; E508-R512 WeakPolarHBondContact O-CG 3.41Å; E508-R512 PolarHBondContact O-N 3.21Å; E508-R512 IonicContact OE1-CZ 3.3Å; E508-R512 IonicContact OE1-NH1 3.66Å; E508-R512 PolarHBondContact OE1-NH1 3.39Å; E508-R512 IonicContact OE1-NH2 3.2Å; E508-R512 PolarHBondContact OE1-NH2 2.79Å; E509-R512 PolarHBondContact O-N 3.24Å; E509-R512 IonicContact OE1-CZ 3.39Å; E509-R512 IonicContact OE1-NH1 2.8Å; E509-R512 PolarHBondContact OE1-NH1 2.85Å; M510-R512 VanDerWaalsContact C-N 3.34Å; M510-R512 PolarHBondContact O-N 2.91Å; R512-T516 WeakPolarHBondContact O-CB 3.39Å; R512-T516 PolarHBondContact O-N 2.84Å; R512-T516 PolarHBondContact O-OG1 3.21Å
513	M	98.1	Very high	97.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-49.8	177.2	-63.8	175.5	68	0	0	111	R161 L164 I168 L409 E509 M510 A511 T516 L517	R161-M513 HydrophobicContact CG-CE 4.24Å; R161-M513 PolarHBondContact NH1-SD 2.67Å; R161-M513 VanDerWaalsContact NH1-SD 3.44Å; L164-M513 HydrophobicContact CB-CE 4.22Å; L164-M513 HydrophobicContact CD2-CE 3.72Å; L164-M513 HydrophobicContact CD2-SD 3.71Å; L164-M513 HydrophobicContact CG-CE 3.85Å; L164-M513 HydrophobicContact CG-SD 4.44Å; I168-M513 HydrophobicContact CD1-CB 3.97Å; I168-M513 HydrophobicContact CD1-CE 4.28Å; L409-M513 HydrophobicContact CD2-CB 4.2Å; L409-M513 HydrophobicContact CD2-CE 3.71Å; L409-M513 HydrophobicContact CD2-CG 3.81Å; L409-M513 HydrophobicContact CD2-SD 4.5Å; E509-M513 WeakPolarHBondContact O-CG 3.43Å; E509-M513 PolarHBondContact O-N 3.19Å; M510-M513 PolarHBondContact O-N 2.99Å; A511-M513 PolarHBondContact O-N 3.48Å; M513-T516 PolarHBondContact O-N 2.8Å; M513-L517 WeakPolarHBondContact O-CB 3.49Å; M513-L517 WeakPolarHBondContact O-CG 3.37Å; M513-L517 PolarHBondContact O-N 3.05Å
514	I	98.6	Very high	97.6	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-57.8	-55.2	178.1	-70.5	172.3	0	0	0	110.3	I168 L201 I204 I205 M510 A511 T516 L517 F518	I168-I514 HydrophobicContact CD1-CG1 3.92Å; I168-I514 HydrophobicContact CG1-CG1 4.21Å; I168-I514 HydrophobicContact CG2-CG1 4.1Å; L201-I514 HydrophobicContact CD1-CD1 4.32Å; L201-I514 HydrophobicContact CD1-CG2 3.65Å; I204-I514 HydrophobicContact CG2-CD1 4.49Å; I205-I514 HydrophobicContact CD1-CD1 3.99Å; M510-I514 HydrophobicContact CG-CD1 3.91Å; M510-I514 VanDerWaalsContact O-CG1 3.31Å; M510-I514 WeakPolarHBondContact O-CG1 3.38Å; M510-I514 PolarHBondContact O-N 2.8Å; M510-I514 HydrophobicContact SD-CD1 4.4Å; A511-I514 PolarHBondContact O-N 3.2Å; I514-T516 VanDerWaalsContact C-N 3.33Å; I514-T516 PolarHBondContact O-N 3.46Å; I514-L517 PolarHBondContact O-N 3.48Å; I514-F518 HydrophobicContact CG2-CD2 3.64Å; I514-F518 HydrophobicContact CG2-CE2 3.86Å; I514-F518 WeakPolarHBondContact O-CB 3.22Å; I514-F518 WeakPolarHBondContact O-CD2 3.47Å; I514-F518 PolarHBondContact O-N 2.85Å
515	L	98.8	Very high	97.7	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-42.3	-177.3	-67.4	173.8	0	0	0	111.5	T378 L379 I422 M426 A511 T519	T378-L515 HydrophobicContact CG2-CD1 3.89Å; T378-L515 HydrophobicContact CG2-CD2 3.72Å; T378-L515 HydrophobicContact CG2-CG 4.47Å; L379-L515 HydrophobicContact CD2-CD2 3.68Å; L379-L515 HydrophobicContact CG-CD2 3.74Å; I422-L515 HydrophobicContact CD1-CB 4.49Å; I422-L515 HydrophobicContact CG2-CB 4.2Å; I422-L515 HydrophobicContact CG2-CD1 4.05Å; M426-L515 HydrophobicContact SD-CD1 4.08Å; A511-L515 VanDerWaalsContact O-CB 3.28Å; A511-L515 WeakPolarHBondContact O-CB 3.46Å; A511-L515 WeakPolarHBondContact O-CG 3.19Å; A511-L515 PolarHBondContact O-N 2.75Å; L515-T519 VanDerWaalsContact O-CB 3.3Å; L515-T519 WeakPolarHBondContact O-CB 3.45Å; L515-T519 WeakPolarHBondContact O-CG2 3.38Å; L515-T519 PolarHBondContact O-N 3.48Å; L515-T519 PolarHBondContact O-OG1 3.25Å
516	T	98.7	Very high	97.7	Very high	17 Å²	17	14.9 Å²	14.9	10%	0.104	8%	0.075	C	C	.	.	H	α-helix	trans	-63.4	-49.2	179.2	-58	0	0	0	0	111.3	L409 L412 E413 L418 R512 M513 I514 T519 G520	L409-T516 HydrophobicContact CD1-CG2 3.78Å; L412-T516 HydrophobicContact CB-CG2 3.56Å; L412-T516 HydrophobicContact CD1-CG2 4.32Å; E413-T516 HydrophobicContact CG-CG2 4.38Å; L418-T516 HydrophobicContact CD2-CG2 4.22Å; R512-T516 WeakPolarHBondContact O-CB 3.39Å; R512-T516 PolarHBondContact O-N 2.84Å; R512-T516 PolarHBondContact O-OG1 3.21Å; M513-T516 PolarHBondContact O-N 2.8Å; I514-T516 VanDerWaalsContact C-N 3.33Å; I514-T516 PolarHBondContact O-N 3.46Å; T516-T519 PolarHBondContact O-OG1 2.82Å; T516-G520 PolarHBondContact O-N 3.49Å
517	L	98.7	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-47.5	179.5	-75.7	164.2	0	0	0	112.1	E165 I168 V172 L409 L412 M513 I514 R521	E165-L517 HydrophobicContact CG-CD1 4.2Å; I168-L517 HydrophobicContact CB-CD1 3.91Å; I168-L517 HydrophobicContact CG2-CB 4.31Å; I168-L517 HydrophobicContact CG2-CD1 3.52Å; V172-L517 HydrophobicContact CG2-CB 4.07Å; L409-L517 HydrophobicContact CB-CD2 4.31Å; L409-L517 HydrophobicContact CD1-CG 4.19Å; L412-L517 HydrophobicContact CD1-CD2 4.29Å; M513-L517 WeakPolarHBondContact O-CB 3.49Å; M513-L517 WeakPolarHBondContact O-CG 3.37Å; M513-L517 PolarHBondContact O-N 3.05Å; I514-L517 PolarHBondContact O-N 3.48Å; L517-R521 VanDerWaalsContact O-CB 3.27Å; L517-R521 WeakPolarHBondContact O-CB 3.39Å; L517-R521 VanDerWaalsContact O-CG 3.31Å; L517-R521 WeakPolarHBondContact O-CG 3.35Å; L517-R521 PolarHBondContact O-N 2.82Å
518	F	98.8	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.9	-53.9	178.4	-92.6	-81.1	0	0	0	111.2	V172 C175 L197 L201 I204 L379 I514 I522	V172-F518 HydrophobicContact CG1-CD1 4.42Å; V172-F518 HydrophobicContact CG2-CD1 4.08Å; V172-F518 HydrophobicContact CG2-CD2 3.58Å; V172-F518 HydrophobicContact CG2-CE1 4.15Å; V172-F518 HydrophobicContact CG2-CE2 3.66Å; V172-F518 HydrophobicContact CG2-CG 3.8Å; V172-F518 HydrophobicContact CG2-CZ 3.95Å; C175-F518 HydrophobicContact CB-CE1 3.8Å; L197-F518 HydrophobicContact CD2-CD1 3.97Å; L197-F518 HydrophobicContact CD2-CE1 4.03Å; L201-F518 HydrophobicContact CB-CE2 4.43Å; L201-F518 HydrophobicContact CB-CZ 4.12Å; L201-F518 HydrophobicContact CD1-CE2 4.11Å; I204-F518 HydrophobicContact CD1-CE2 3.59Å; I204-F518 HydrophobicContact CD1-CZ 3.77Å; L379-F518 HydrophobicContact CD1-CB 3.94Å; L379-F518 HydrophobicContact CD1-CD1 4.01Å; L379-F518 HydrophobicContact CD1-CD2 3.89Å; L379-F518 HydrophobicContact CD1-CE1 4.5Å; L379-F518 HydrophobicContact CD1-CE2 4.41Å; L379-F518 HydrophobicContact CD1-CG 3.68Å; L379-F518 HydrophobicContact CD2-CB 3.52Å; L379-F518 HydrophobicContact CD2-CG 4.23Å; L379-F518 HydrophobicContact CG-CB 4.4Å; I514-F518 HydrophobicContact CG2-CD2 3.64Å; I514-F518 HydrophobicContact CG2-CE2 3.86Å; I514-F518 WeakPolarHBondContact O-CB 3.22Å; I514-F518 WeakPolarHBondContact O-CD2 3.47Å; I514-F518 PolarHBondContact O-N 2.85Å; F518-I522 HydrophobicContact CB-CD1 4.45Å; F518-I522 HydrophobicContact CD1-CD1 4.07Å; F518-I522 VanDerWaalsContact O-CB 3.23Å; F518-I522 WeakPolarHBondContact O-CB 3.15Å; F518-I522 VanDerWaalsContact O-CD1 3.29Å; F518-I522 WeakPolarHBondContact O-CD1 3.39Å; F518-I522 WeakPolarHBondContact O-CG1 3.23Å; F518-I522 PolarHBondContact O-N 3.28Å
519	T	98.7	Very high	97.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-66.8	-44.7	-175.1	57.1	0	0	0	0	112.2	L379 F382 I422 L515 T516 L523	L379-T519 HydrophobicContact CD2-CG2 3.75Å; F382-T519 HydrophobicContact CB-CG2 4.33Å; F382-T519 HydrophobicContact CD1-CG2 3.36Å; F382-T519 HydrophobicContact CD2-CG2 3.89Å; F382-T519 VanDerWaalsContact CE1-CB 3.46Å; F382-T519 HydrophobicContact CE1-CG2 3.46Å; F382-T519 VanDerWaalsContact CE1-CG2 3.46Å; F382-T519 HydrophobicContact CE2-CG2 3.96Å; F382-T519 HydrophobicContact CG-CG2 3.59Å; F382-T519 HydrophobicContact CZ-CG2 3.77Å; I422-T519 WeakPolarHBondContact CD1-OG1 3.33Å; I422-T519 HydrophobicContact CG1-CG2 4.3Å; L515-T519 VanDerWaalsContact O-CB 3.3Å; L515-T519 WeakPolarHBondContact O-CB 3.45Å; L515-T519 WeakPolarHBondContact O-CG2 3.38Å; L515-T519 PolarHBondContact O-N 3.48Å; L515-T519 PolarHBondContact O-OG1 3.25Å; T516-T519 PolarHBondContact O-OG1 2.82Å; T519-L523 WeakPolarHBondContact O-CB 3.26Å; T519-L523 WeakPolarHBondContact O-CG 3.26Å; T519-L523 PolarHBondContact O-N 3.42Å
520	G	98.5	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.1	-49.2	178.5	0	0	0	0	0	112.7	T516 R524	T516-G520 PolarHBondContact O-N 3.49Å; G520-R524 WeakPolarHBondContact O-CB 3.27Å; G520-R524 PolarHBondContact O-N 2.78Å
521	R	98.1	Very high	97.8	Very high	15 Å²	15	15.9 Å²	15.9	6%	0.057	7%	0.073	C	C	.	.	H	α-helix	trans	-72.5	-36.5	-178.3	-65.7	-170.5	175.4	-169.2	4.7	113.2	V172 D173 V176 P407 L517 R525	V172-R521 HydrophobicContact CG1-CB 3.76Å; V172-R521 HydrophobicContact CG1-CG 4.18Å; D173-R521 IonicContact OD1-CZ 3.8Å; D173-R521 IonicContact OD1-NH1 3.08Å; D173-R521 PolarHBondContact OD1-NH1 3.47Å; D173-R521 IonicContact OD2-NH1 3.84Å; D173-R521 PolarHBondContact OD2-NH1 3.46Å; D173-R521 VanDerWaalsContact OD2-NH1 3.08Å; V176-R521 HydrophobicContact CG2-CB 4.44Å; P407-R521 HydrophobicContact CG-CG 4.16Å; P407-R521 PolarHBondContact O-NE 3.44Å; P407-R521 PolarHBondContact O-NH2 3.41Å; P407-R521 VanDerWaalsContact O-NH2 3.11Å; L517-R521 VanDerWaalsContact O-CB 3.27Å; L517-R521 WeakPolarHBondContact O-CB 3.39Å; L517-R521 VanDerWaalsContact O-CG 3.31Å; L517-R521 WeakPolarHBondContact O-CG 3.35Å; L517-R521 PolarHBondContact O-N 2.82Å; R521-R525 WeakPolarHBondContact O-CB 3.2Å; R521-R525 PolarHBondContact O-N 2.82Å
522	I	98.3	Very high	97.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-51.2	174.4	-69.1	165.1	0	0	0	109.7	V176 F179 L197 L383 F518 R524 R525 F526 F555	V176-I522 HydrophobicContact CG2-CG1 4.11Å; F179-I522 HydrophobicContact CD2-CG1 4.4Å; F179-I522 HydrophobicContact CE2-CD1 3.83Å; F179-I522 HydrophobicContact CE2-CG1 4.2Å; L197-I522 HydrophobicContact CD2-CD1 4.33Å; L383-I522 HydrophobicContact CD2-CD1 4.36Å; L383-I522 HydrophobicContact CD2-CG2 3.78Å; F518-I522 HydrophobicContact CB-CD1 4.45Å; F518-I522 HydrophobicContact CD1-CD1 4.07Å; F518-I522 VanDerWaalsContact O-CB 3.23Å; F518-I522 WeakPolarHBondContact O-CB 3.15Å; F518-I522 VanDerWaalsContact O-CD1 3.29Å; F518-I522 WeakPolarHBondContact O-CD1 3.39Å; F518-I522 WeakPolarHBondContact O-CG1 3.23Å; F518-I522 PolarHBondContact O-N 3.28Å; I522-R524 PolarHBondContact O-N 3.27Å; I522-R525 PolarHBondContact O-N 2.85Å; I522-R525 VanDerWaalsContact O-N 3.11Å; I522-F526 HydrophobicContact CG2-CD2 4.25Å; I522-F526 WeakPolarHBondContact O-CD2 3.26Å; I522-F526 PolarHBondContact O-N 3.28Å; I522-F555 HydrophobicContact CG2-CE1 4.28Å
523	L	98.1	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-72.2	-26.6	-178.1	-70.2	-176.7	0	0	0	113.6	F382 L386 Q393 L396 H397 L400 T519 R525 L528 L558	F382-L523 HydrophobicContact CE1-CD1 3.58Å; F382-L523 HydrophobicContact CE1-CG 4.18Å; F382-L523 HydrophobicContact CZ-CD1 3.77Å; L386-L523 HydrophobicContact CG-CD1 4.3Å; Q393-L523 HydrophobicContact CG-CD2 4.16Å; L396-L523 HydrophobicContact CB-CD1 4.39Å; L396-L523 HydrophobicContact CD1-CD1 3.56Å; H397-L523 PolarHBondContact CD2-O 3.24Å; H397-L523 PolarHBondContact NE2-O 2.89Å; H397-L523 VanDerWaalsContact NE2-O 3.11Å; L400-L523 HydrophobicContact CD1-CB 3.62Å; T519-L523 WeakPolarHBondContact O-CB 3.26Å; T519-L523 WeakPolarHBondContact O-CG 3.26Å; T519-L523 PolarHBondContact O-N 3.42Å; L523-R525 PolarHBondContact O-N 3.45Å; L523-L528 HydrophobicContact CD2-CD1 3.74Å; L523-L528 HydrophobicContact CD2-CG 4.07Å; L523-L558 WeakPolarHBondContact O-CD1 3.38Å
524	R	96.6	Very high	96.1	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.038	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-33.5	169.4	173.9	61.7	-173.2	101.8	-14.7	111.8	L400 L401 L403 G404 P407 G520 I522	L400-R524 HydrophobicContact CB-CB 4.43Å; L400-R524 WeakPolarHBondContact O-CD 3.13Å; L400-R524 PolarHBondContact O-NE 3Å; L401-R524 PolarHBondContact O-NH2 3.01Å; L403-R524 VanDerWaalsContact O-CZ 3.29Å; L403-R524 PolarHBondContact O-NE 3.3Å; L403-R524 PolarHBondContact O-NH2 3.01Å; G404-R524 WeakPolarHBondContact O-CG 3.27Å; G404-R524 PolarHBondContact O-NE 2.9Å; P407-R524 HydrophobicContact CG-CB 4.37Å; P407-R524 HydrophobicContact CG-CG 4.42Å; G520-R524 WeakPolarHBondContact O-CB 3.27Å; G520-R524 PolarHBondContact O-N 2.78Å; I522-R524 PolarHBondContact O-N 3.27Å
525	R	96.5	Very high	95.4	Very high	66 Å²	66	34.4 Å²	34.4	25%	0.249	20%	0.2	C	C	.	.	H	α-helix	trans	-96.8	-29.1	-172.7	-168.5	54.9	158.7	170.8	-11.6	113.8	V176 R521 I522 L523 L558	V176-R525 HydrophobicContact CG1-CB 4.19Å; V176-R525 HydrophobicContact CG1-CG 3.81Å; R521-R525 WeakPolarHBondContact O-CB 3.2Å; R521-R525 PolarHBondContact O-N 2.82Å; I522-R525 PolarHBondContact O-N 2.85Å; I522-R525 VanDerWaalsContact O-N 3.11Å; L523-R525 PolarHBondContact O-N 3.45Å; R525-L558 PolarHBondContact O-N 3.13Å
526	F	97.5	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.5	-172.1	-55.2	-75.4	0	0	0	112.6	V176 F179 D180 H397 I522 L528 F555 T556 K557	V176-F526 HydrophobicContact CG1-CE2 3.95Å; V176-F526 HydrophobicContact CG1-CZ 4.38Å; F179-F526 HydrophobicContact CB-CE2 3.9Å; F179-F526 HydrophobicContact CB-CZ 3.94Å; D180-F526 HydrophobicContact CB-CE1 4.3Å; D180-F526 HydrophobicContact CB-CZ 3.96Å; H397-F526 PolarHBondContact NE2-O 3.39Å; H397-F526 VanDerWaalsContact NE2-O 3.17Å; I522-F526 HydrophobicContact CG2-CD2 4.25Å; I522-F526 WeakPolarHBondContact O-CD2 3.26Å; I522-F526 PolarHBondContact O-N 3.28Å; F526-L528 HydrophobicContact CB-CD2 3.97Å; F526-F555 HydrophobicContact CB-CD1 3.97Å; F526-F555 HydrophobicContact CD1-CB 4.18Å; F526-F555 HydrophobicContact CD1-CD1 4.23Å; F526-F555 AromaticContact CD2-CD1 3.99Å; F526-F555 HydrophobicContact CD2-CD1 3.99Å; F526-F555 AromaticContact CG-CD1 3.81Å; F526-F555 HydrophobicContact CG-CD1 3.81Å; F526-T556 CarbonylContact C-O 3.56Å; F526-T556 VanDerWaalsContact CA-O 3.32Å; F526-T556 WeakPolarHBondContact CA-O 3.42Å; F526-K557 HydrophobicContact CD1-CB 4.47Å
527	H	97.8	Very high	94.7	Very high	36 Å²	36	38 Å²	38	17%	0.167	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.2	158.2	179.4	72.5	0	0	0	109.2	Q390 Q393 H397 E529 T556 L558	Q390-H527 PolarHBondContact OE1-CE1 3.3Å; Q393-H527 PolarHBondContact OE1-ND1 3.47Å; H397-H527 AromaticContact CE1-ND1 3.48Å; H397-H527 PolarHBondContact CE1-ND1 3.44Å; H397-H527 AromaticContact ND1-ND1 3.88Å; H527-E529 WeakPolarHBondContact NE2-CG 3.28Å; H527-T556 PolarHBondContact N-O 2.85Å; H527-T556 PolarHBondContact O-N 3.19Å; H527-L558 HydrophobicContact CB-CD2 3.94Å; H527-L558 HydrophobicContact CB-CG 4.27Å
528	L	98	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.8	-174.7	-50.4	179.2	0	0	0	110.2	L383 A387 Q390 Q393 L523 F526 R554 F555	L383-L528 HydrophobicContact CB-CD1 4.16Å; L383-L528 HydrophobicContact CD2-CD1 3.55Å; L383-L528 HydrophobicContact CG-CD1 4.41Å; A387-L528 HydrophobicContact CB-CB 3.94Å; Q390-L528 PolarHBondContact NE2-O 3.19Å; Q393-L528 PolarHBondContact NE2-O 3.07Å; L523-L528 HydrophobicContact CD2-CD1 3.74Å; L523-L528 HydrophobicContact CD2-CG 4.07Å; F526-L528 HydrophobicContact CB-CD2 3.97Å; L528-R554 VanDerWaalsContact CA-O 3.31Å; L528-R554 WeakPolarHBondContact CA-O 3.44Å; L528-F555 HydrophobicContact CD2-CB 4.49Å; L528-F555 HydrophobicContact CD2-CD1 3.3Å; L528-F555 HydrophobicContact CD2-CD2 4.14Å; L528-F555 HydrophobicContact CD2-CE1 3.37Å; L528-F555 HydrophobicContact CD2-CE2 4.22Å; L528-F555 HydrophobicContact CD2-CG 3.71Å; L528-F555 HydrophobicContact CD2-CZ 3.85Å
529	E	97.3	Very high	94.3	Very high	62 Å²	62	40.9 Å²	40.9	29%	0.29	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.5	173.4	-59.3	178.9	100.9	0	0	110.5	H527 R554	H527-E529 WeakPolarHBondContact NE2-CG 3.28Å; E529-R554 HydrophobicContact CB-CB 4.26Å; E529-R554 PolarHBondContact N-O 2.87Å; E529-R554 PolarHBondContact O-N 2.81Å; E529-R554 IonicContact OE2-NH1 2.65Å; E529-R554 PolarHBondContact OE2-NH1 2.83Å
530	L	96.5	Very high	94.1	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.236	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68.6	141.3	163.1	-58.5	-177.4	0	0	0	109.1	L384 A387 R388 S532 V536 L553	L384-L530 HydrophobicContact CD1-CD2 3.77Å; A387-L530 HydrophobicContact CB-CD2 4.05Å; R388-L530 HydrophobicContact CB-CD1 4.14Å; R388-L530 HydrophobicContact CG-CD1 4.27Å; L530-S532 PolarHBondContact O-N 2.81Å; L530-V536 HydrophobicContact CD1-CG2 4.46Å; L530-V536 HydrophobicContact CD2-CG2 4.05Å; L530-L553 HydrophobicContact CD2-CD2 3.86Å
531	P	93.4	Very high	93.7	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.045	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-53.8	139.6	170.4	-26.4	35.4	0	0	0	111.5	E190 G533 T534 M552	E190-P531 HydrophobicContact CG-CG 4.39Å; P531-G533 PolarHBondContact O-N 3.24Å; P531-T534 PolarHBondContact O-N 3.35Å; P531-M552 WeakPolarHBondContact CD-O 3.46Å; P531-M552 HydrophobicContact CG-CB 3.91Å; P531-M552 WeakPolarHBondContact CG-O 3.27Å
532	S	89.1	Confident	93.2	Very high	94 Å²	94	45.6 Å²	45.6	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	129.3	-175.2	-57.4	0	0	0	0	111.4	L530 T534 R554	L530-S532 PolarHBondContact O-N 2.81Å; S532-T534 VanDerWaalsContact C-N 3.31Å; S532-T534 PolarHBondContact O-N 2.95Å; S532-R554 PolarHBondContact OG-NH2 3.29Å
533	G	86.4	Confident	92.5	Very high	92 Å²	92	46.3 Å²	46.3	95%	0.948	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	5.4	178.4	0	0	0	0	0	115.4	P531	P531-G533 PolarHBondContact O-N 3.24Å
534	T	82.8	Confident	91.9	Very high	76 Å²	76	49.3 Å²	49.3	47%	0.466	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-97.4	124.5	179.7	-57	0	0	0	0	111.1	P531 S532 V536	P531-T534 PolarHBondContact O-N 3.35Å; S532-T534 VanDerWaalsContact C-N 3.31Å; S532-T534 PolarHBondContact O-N 2.95Å; T534-V536 HydrophobicContact CG2-CG2 4.01Å
535	E	85.5	Confident	91.7	Very high	195 Å²	195	49.2 Å²	49.2	91%	0.911	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-81.7	123.6	161.8	-69.6	-170	168.3	0	0	109.1
536	V	89.9	Confident	91.7	Very high	30 Å²	30	46.1 Å²	46.1	18%	0.182	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-103.7	134.7	179	-175.2	0	0	0	0	110.1	L384 L530 T534 M538 H551	L384-V536 HydrophobicContact CD1-CB 4.35Å; L384-V536 HydrophobicContact CD1-CG1 3.66Å; L384-V536 HydrophobicContact CD2-CG1 4.16Å; L530-V536 HydrophobicContact CD1-CG2 4.46Å; L530-V536 HydrophobicContact CD2-CG2 4.05Å; T534-V536 HydrophobicContact CG2-CG2 4.01Å; V536-M538 PolarHBondContact O-N 3.36Å; V536-H551 HydrophobicContact CG1-CB 4.08Å
537	D	92.7	Very high	91.5	Very high	67 Å²	67	47.2 Å²	47.2	36%	0.358	29%	0.289	S	S	.	.			trans	-67.8	115.9	175.3	173.6	33.7	0	0	0	111	A539 G540 T549	D537-A539 WeakPolarHBondContact OD1-CA 3.29Å; D537-A539 WeakPolarHBondContact OD1-CB 3.24Å; D537-A539 PolarHBondContact OD1-N 3.4Å; D537-G540 PolarHBondContact OD2-N 3.47Å; D537-T549 HydrophobicContact CB-CG2 4.41Å; D537-T549 VanDerWaalsContact OD2-CG2 3.28Å; D537-T549 WeakPolarHBondContact OD2-CG2 3.45Å
538	M	95	Very high	91.4	Very high	22 Å²	22	45.5 Å²	45.5	11%	0.108	28%	0.282	C	S	.	.	S	Bend	trans	-98.2	-1.5	176.8	-61.5	-66	-58.6	0	0	112.3	W381 L384 Y385 R429 V536	W381-M538 HydrophobicContact CZ3-CE 4.49Å; L384-M538 HydrophobicContact CD1-SD 4.21Å; L384-M538 HydrophobicContact CD2-CE 4.42Å; L384-M538 HydrophobicContact CD2-SD 3.74Å; L384-M538 HydrophobicContact CG-CE 4.26Å; L384-M538 HydrophobicContact CG-SD 3.76Å; Y385-M538 HydrophobicContact CD1-CE 3.68Å; Y385-M538 HydrophobicContact CD2-CE 4.04Å; Y385-M538 HydrophobicContact CE1-CE 3.41Å; Y385-M538 VanDerWaalsContact CE1-CE 3.41Å; Y385-M538 HydrophobicContact CE2-CE 3.76Å; Y385-M538 HydrophobicContact CG-CE 3.99Å; Y385-M538 VanDerWaalsContact CZ-CE 3.45Å; R429-M538 PolarHBondContact NE-O 2.83Å; R429-M538 PolarHBondContact NH2-O 3.27Å; V536-M538 PolarHBondContact O-N 3.36Å
539	A	93.8	Very high	91.2	Very high	38 Å²	38	46.8 Å²	46.8	31%	0.314	29%	0.289	S	S	.	.	S	Bend	trans	-79.2	-40	177.7	0	0	0	0	0	112	D537	D537-A539 WeakPolarHBondContact OD1-CA 3.29Å; D537-A539 WeakPolarHBondContact OD1-CB 3.24Å; D537-A539 PolarHBondContact OD1-N 3.4Å
540	G	93.6	Very high	91	Very high	18 Å²	18	47.8 Å²	47.8	19%	0.186	30%	0.301	C	S	.	.			trans	80.8	171.2	177.9	0	0	0	0	0	114.4	D537 T547	D537-G540 PolarHBondContact OD2-N 3.47Å; G540-T547 CarbonylContact C-O 3.4Å; G540-T547 WeakPolarHBondContact CA-O 3.31Å
541	E	90.7	Very high	91	Very high	72 Å²	72	46.2 Å²	46.2	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.9	177.9	-66.8	-178.3	179.4	0	0	110.5	K233 T547 T549	K233-E541 IonicContact NZ-OE2 3.07Å; E541-T547 PolarHBondContact N-O 2.9Å; E541-T547 PolarHBondContact O-N 3.31Å; E541-T549 HydrophobicContact CG-CG2 3.7Å
542	S	86.7	Confident	91.1	Very high	25 Å²	25	49.6 Å²	49.6	18%	0.175	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	113.6	176.5	-162.2	0	0	0	0	110.7	R67 H70	R67-S542 WeakPolarHBondContact O-CB 3.19Å; H70-S542 PolarHBondContact ND1-OG 3.49Å
543	G	85.5	Confident	91.5	Very high	17 Å²	17	45.1 Å²	45.1	18%	0.175	28%	0.277	C	S	.	.	S	Bend	trans	-112	-136.5	160.9	0	0	0	0	0	110.3	T545	G543-T545 VanDerWaalsContact C-N 3.26Å; G543-T545 PolarHBondContact N-O 2.84Å
544	I	84.7	Confident	92	Very high	62 Å²	62	43 Å²	43	32%	0.318	24%	0.241	S	C	.	.	S	Bend	trans	-62.6	-42.7	157.9	-55.1	177.6	0	0	0	109.1	V232 I235 I436	V232-I544 HydrophobicContact CG1-CB 4.2Å; I235-I544 HydrophobicContact CB-CD1 3.8Å; I235-I544 HydrophobicContact CB-CG1 4.06Å; I235-I544 HydrophobicContact CD1-CD1 4.06Å; I235-I544 HydrophobicContact CG2-CD1 3.51Å; I235-I544 HydrophobicContact CG2-CG1 3.78Å; I436-I544 HydrophobicContact CD1-CG2 3.97Å
545	T	93	Very high	92.7	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	22%	0.219	C	C	.	.	S	Bend	trans	-100.6	150.4	174.7	55	0	0	0	0	111.7	V232 T374 V431 V432 G543 T547	V232-T545 WeakPolarHBondContact CG1-OG1 3.26Å; T374-T545 HydrophobicContact CG2-CG2 4.3Å; V431-T545 HydrophobicContact CG1-CG2 3.86Å; V431-T545 CarbonylContact O-C 3.27Å; V431-T545 WeakPolarHBondContact O-CA 3.34Å; V431-T545 WeakPolarHBondContact O-CB 3.46Å; V432-T545 HydrophobicContact CG2-CG2 4.48Å; G543-T545 VanDerWaalsContact C-N 3.26Å; G543-T545 PolarHBondContact N-O 2.84Å; T545-T547 WeakPolarHBondContact OG1-CG2 3.47Å
546	L	94.7	Very high	93.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.6	169	-179.8	63	0	0	0	108.9	W381 R429 V431 P433 W462	W381-L546 HydrophobicContact CZ2-CG 4.29Å; W381-L546 PolarHBondContact NE1-O 3.49Å; R429-L546 HydrophobicContact CB-CD2 4.48Å; V431-L546 PolarHBondContact O-N 3.29Å; P433-L546 HydrophobicContact CG-CB 4.24Å; W462-L546 HydrophobicContact CE3-CD2 4.02Å; W462-L546 HydrophobicContact CH2-CD2 4.43Å; W462-L546 HydrophobicContact CZ3-CD2 3.54Å
547	T	94.9	Very high	93.4	Very high	23 Å²	23	35.7 Å²	35.7	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.1	-174.6	65.3	0	0	0	0	111.2	A377 G540 E541 T545	A377-T547 HydrophobicContact CB-CG2 3.9Å; G540-T547 CarbonylContact C-O 3.4Å; G540-T547 WeakPolarHBondContact CA-O 3.31Å; E541-T547 PolarHBondContact N-O 2.9Å; E541-T547 PolarHBondContact O-N 3.31Å; T545-T547 WeakPolarHBondContact OG1-CG2 3.47Å
548	P	95.8	Very high	93.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-64.2	145.1	168.7	-14.6	27.5	0	0	0	110.3	R380 W381 L384	R380-P548 HydrophobicContact CB-CG 3.76Å; R380-P548 PolarHBondContact NH1-O 3.3Å; R380-P548 PolarHBondContact NH2-O 3.42Å; W381-P548 HydrophobicContact CB-CG 4.49Å; W381-P548 HydrophobicContact CD2-CB 4.37Å; W381-P548 HydrophobicContact CD2-CG 3.5Å; W381-P548 VanDerWaalsContact CD2-CG 3.5Å; W381-P548 HydrophobicContact CE3-CB 4.34Å; W381-P548 HydrophobicContact CE3-CG 3.85Å; W381-P548 HydrophobicContact CG-CG 3.79Å; W381-P548 HydrophobicContact CH2-CB 4.27Å; W381-P548 HydrophobicContact CH2-CG 4.36Å; W381-P548 HydrophobicContact CZ2-CB 4.31Å; W381-P548 HydrophobicContact CZ2-CG 4.08Å; W381-P548 HydrophobicContact CZ3-CB 4.29Å; W381-P548 HydrophobicContact CZ3-CG 4.26Å; L384-P548 HydrophobicContact CD2-CB 4.16Å
549	T	93.9	Very high	92.8	Very high	26 Å²	26	37.1 Å²	37.1	16%	0.16	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-57.1	157.7	163.8	49.6	0	0	0	0	110.2	R380 D537 E541 H551	R380-T549 PolarHBondContact NH2-O 3.24Å; D537-T549 HydrophobicContact CB-CG2 4.41Å; D537-T549 VanDerWaalsContact OD2-CG2 3.28Å; D537-T549 WeakPolarHBondContact OD2-CG2 3.45Å; E541-T549 HydrophobicContact CG-CG2 3.7Å; T549-H551 PolarHBondContact O-N 2.97Å; T549-H551 PolarHBondContact O-ND1 3.11Å
550	P	93	Very high	91.6	Very high	84 Å²	84	38.5 Å²	38.5	55%	0.545	23%	0.227	S	C	.	.	S	Bend	trans	-52.5	127.5	170.9	-25.9	35.4	0	0	0	110.8
551	H	95.2	Very high	90.1	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.056	23%	0.234	C	C	.	.			trans	-145.4	157.3	-176.2	58.6	-90.7	0	0	0	110.4	P193 V536 T549	P193-H551 WeakPolarHBondContact CD-O 3.47Å; V536-H551 HydrophobicContact CG1-CB 4.08Å; T549-H551 PolarHBondContact O-N 2.97Å; T549-H551 PolarHBondContact O-ND1 3.11Å
552	M	95.9	Very high	88.3	Confident	77 Å²	77	44.8 Å²	44.8	38%	0.379	26%	0.255	S	S	.	.			trans	-105.4	144.9	173.5	-60.7	-61.3	-70.4	0	0	108.9	E190 N192 P531	E190-M552 HydrophobicContact CB-CE 3.97Å; E190-M552 VanDerWaalsContact O-CE 3.32Å; E190-M552 WeakPolarHBondContact O-CE 3.33Å; N192-M552 HydrophobicContact CB-SD 3.68Å; P531-M552 WeakPolarHBondContact CD-O 3.46Å; P531-M552 HydrophobicContact CG-CB 3.91Å; P531-M552 WeakPolarHBondContact CG-O 3.27Å
553	L	97.4	Very high	86.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146	169.4	-56.9	175.9	0	0	0	108.7	E190 V191 P193 L383 L384 A387 L530 F555	E190-L553 CarbonylContact C-O 3.54Å; E190-L553 WeakPolarHBondContact CA-O 2.93Å; V191-L553 PolarHBondContact N-O 2.78Å; V191-L553 PolarHBondContact O-N 2.9Å; P193-L553 HydrophobicContact CG-CD1 4.32Å; L383-L553 HydrophobicContact CB-CD1 3.76Å; L384-L553 HydrophobicContact CD1-CD2 4.07Å; A387-L553 HydrophobicContact CB-CD1 4.42Å; A387-L553 HydrophobicContact CB-CD2 3.7Å; L530-L553 HydrophobicContact CD2-CD2 3.86Å; L553-F555 HydrophobicContact CB-CD2 4.21Å; L553-F555 HydrophobicContact CB-CE2 3.77Å; L553-F555 HydrophobicContact CD1-CE2 4.49Å; L553-F555 WeakPolarHBondContact O-CD2 3.42Å
554	R	97	Very high	84.6	Confident	47 Å²	47	55.2 Å²	55.2	18%	0.177	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.9	169.8	-178.2	179.8	-61.5	144.5	2	109.2	A188 S189 L528 E529 S532	A188-R554 WeakPolarHBondContact O-CG 3.47Å; A188-R554 PolarHBondContact O-NE 3.39Å; S189-R554 WeakPolarHBondContact O-CA 3.45Å; L528-R554 VanDerWaalsContact CA-O 3.31Å; L528-R554 WeakPolarHBondContact CA-O 3.44Å; E529-R554 HydrophobicContact CB-CB 4.26Å; E529-R554 PolarHBondContact N-O 2.87Å; E529-R554 PolarHBondContact O-N 2.81Å; E529-R554 IonicContact OE2-NH1 2.65Å; E529-R554 PolarHBondContact OE2-NH1 2.83Å; S532-R554 PolarHBondContact OG-NH2 3.29Å
555	F	97.6	Very high	82.7	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.009	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	107	175.9	-75.7	-111.3	0	0	0	109.8	F179 A183 S189 V191 I522 F526 L528 L553	F179-F555 HydrophobicContact CB-CD1 4.24Å; F179-F555 HydrophobicContact CB-CE1 4.28Å; F179-F555 HydrophobicContact CD1-CE1 4.36Å; F179-F555 HydrophobicContact CD1-CZ 4.32Å; F179-F555 HydrophobicContact CD2-CD1 4.4Å; F179-F555 AromaticContact CD2-CE1 3.68Å; F179-F555 HydrophobicContact CD2-CE1 3.68Å; F179-F555 HydrophobicContact CD2-CZ 4.24Å; F179-F555 HydrophobicContact CE1-CZ 4.27Å; F179-F555 AromaticContact CE2-CE1 3.97Å; F179-F555 HydrophobicContact CE2-CE1 3.97Å; F179-F555 HydrophobicContact CE2-CZ 4.19Å; F179-F555 HydrophobicContact CG-CD1 4.33Å; F179-F555 AromaticContact CG-CE1 3.87Å; F179-F555 HydrophobicContact CG-CE1 3.87Å; F179-F555 HydrophobicContact CG-CZ 4.3Å; F179-F555 HydrophobicContact CZ-CE1 4.41Å; F179-F555 HydrophobicContact CZ-CZ 4.18Å; A183-F555 HydrophobicContact CB-CB 4.1Å; S189-F555 WeakPolarHBondContact CB-O 3.35Å; S189-F555 PolarHBondContact O-N 3.49Å; V191-F555 HydrophobicContact CB-CD2 3.67Å; V191-F555 HydrophobicContact CB-CE2 3.83Å; V191-F555 HydrophobicContact CG1-CD2 4.48Å; V191-F555 HydrophobicContact CG1-CE2 4.29Å; V191-F555 HydrophobicContact CG2-CD2 4.01Å; V191-F555 HydrophobicContact CG2-CG 4.48Å; I522-F555 HydrophobicContact CG2-CE1 4.28Å; F526-F555 HydrophobicContact CB-CD1 3.97Å; F526-F555 HydrophobicContact CD1-CB 4.18Å; F526-F555 HydrophobicContact CD1-CD1 4.23Å; F526-F555 AromaticContact CD2-CD1 3.99Å; F526-F555 HydrophobicContact CD2-CD1 3.99Å; F526-F555 AromaticContact CG-CD1 3.81Å; F526-F555 HydrophobicContact CG-CD1 3.81Å; L528-F555 HydrophobicContact CD2-CB 4.49Å; L528-F555 HydrophobicContact CD2-CD1 3.3Å; L528-F555 HydrophobicContact CD2-CD2 4.14Å; L528-F555 HydrophobicContact CD2-CE1 3.37Å; L528-F555 HydrophobicContact CD2-CE2 4.22Å; L528-F555 HydrophobicContact CD2-CG 3.71Å; L528-F555 HydrophobicContact CD2-CZ 3.85Å; L553-F555 HydrophobicContact CB-CD2 4.21Å; L553-F555 HydrophobicContact CB-CE2 3.77Å; L553-F555 HydrophobicContact CD1-CE2 4.49Å; L553-F555 WeakPolarHBondContact O-CD2 3.42Å
556	T	95.9	Very high	80.5	Confident	60 Å²	60	60.3 Å²	60.3	37%	0.368	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.2	174.8	-59	0	0	0	0	109.2	F526 H527 L558	F526-T556 CarbonylContact C-O 3.56Å; F526-T556 VanDerWaalsContact CA-O 3.32Å; F526-T556 WeakPolarHBondContact CA-O 3.42Å; H527-T556 PolarHBondContact N-O 2.85Å; H527-T556 PolarHBondContact O-N 3.19Å; T556-L558 PolarHBondContact O-N 2.81Å
557	K	95	Very high	78.5	Confident	86 Å²	86	66.7 Å²	66.7	37%	0.374	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	126.5	180	-170.8	175.3	-167.2	158.3	0	110.9	D180 F526	D180-K557 WeakPolarHBondContact OD1-CD 3.45Å; D180-K557 IonicContact OD1-NZ 3.07Å; D180-K557 PolarHBondContact OD1-NZ 3.4Å; D180-K557 IonicContact OD2-NZ 3.39Å; D180-K557 PolarHBondContact OD2-NZ 3.23Å; D180-K557 VanDerWaalsContact OD2-NZ 3.07Å; F526-K557 HydrophobicContact CD1-CB 4.47Å
558	L	93.1	Very high	76.8	Confident	28 Å²	28	73.1 Å²	73.1	15%	0.147	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-78.9	146.8	175.6	-70	170.8	0	0	0	111.1	L401 L523 R525 H527 T556	L401-L558 HydrophobicContact CD2-CB 4.34Å; L401-L558 HydrophobicContact CD2-CD1 4.12Å; L523-L558 WeakPolarHBondContact O-CD1 3.38Å; R525-L558 PolarHBondContact O-N 3.13Å; H527-L558 HydrophobicContact CB-CD2 3.94Å; H527-L558 HydrophobicContact CB-CG 4.27Å; T556-L558 PolarHBondContact O-N 2.81Å
559	P	80.8	Confident	74.6	Confident	91 Å²	91	76 Å²	76	59%	0.591	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-62.3	147.9	174.5	27.1	-33.2	0	0	0	110.7	V561	P559-V561 PolarHBondContact O-N 2.84Å
560	A	68.3	Low	71.9	Confident	68 Å²	68	77.5 Å²	77.5	56%	0.562	44%	0.436	S	S	*	.			trans	-75.6	106.8	164	0	0	0	0	0	106.8	E562	A560-E562 PolarHBondContact O-N 3.49Å
561	V	62.7	Low	69.2	Low	54 Å²	54	77.7 Å²	77.7	33%	0.327	44%	0.435	S	S	.	.			trans	-75	103.9	167.4	-177.2	0	0	0	0	105.9	P559 M563	P559-V561 PolarHBondContact O-N 2.84Å; V561-M563 PolarHBondContact O-N 2.92Å
562	E	53	Low	66.3	Low	167 Å²	167	81 Å²	81	78%	0.78	46%	0.456	S	S	*	.			trans	-77.7	108.1	167.9	-75.4	-176.3	175.9	0	0	107.7	A560 R564	A560-E562 PolarHBondContact O-N 3.49Å; E562-R564 PolarHBondContact O-N 3.07Å
563	M	52.2	Low	63.3	Low	67 Å²	67	84.6 Å²	84.6	33%	0.33	47%	0.472	S	S	.	.			trans	-64.4	107.7	171.4	-70.4	-102.3	-75.3	0	0	108.5	V561 H565 V571	V561-M563 PolarHBondContact O-N 2.92Å; M563-H565 PolarHBondContact O-N 3.08Å; M563-V571 HydrophobicContact CE-CG1 3.63Å; M563-V571 HydrophobicContact SD-CG1 3.94Å
564	R	41.8	Very low	60.4	Low	195 Å²	195	94 Å²	94	74%	0.736	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.8	169.3	-73.7	-176.2	177.8	-176.6	1.2	108.4	E562 A566	E562-R564 PolarHBondContact O-N 3.07Å; R564-A566 PolarHBondContact O-N 2.82Å
565	H	46.1	Very low	58.5	Low	146 Å²	146	96.3 Å²	96.3	68%	0.676	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	118	166	-66.2	-67.2	0	0	0	108.5	M563	M563-H565 PolarHBondContact O-N 3.08Å
566	A	47	Very low	56.5	Low	31 Å²	31	101.3 Å²	101.3	26%	0.256	57%	0.567	S	S	.	*			trans	-62.7	147.2	168.4	0	0	0	0	0	109.2	R564 D568 G569 A570	R564-A566 PolarHBondContact O-N 2.82Å; A566-D568 PolarHBondContact O-N 3.18Å; A566-G569 PolarHBondContact O-N 3.05Å; A566-A570 VanDerWaalsContact CB-O 3.24Å; A566-A570 WeakPolarHBondContact CB-O 3.4Å; A566-A570 PolarHBondContact N-O 3.08Å
567	P	51.7	Low	54.3	Low	135 Å²	135	103.6 Å²	103.6	88%	0.877	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-21.9	-177.9	13.3	-25	0	0	0	114.5
568	D	59.6	Low	51.9	Low	158 Å²	158	104.6 Å²	104.6	85%	0.845	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	17.1	177.9	-61.8	-20.3	0	0	0	113.9	A566 A570	A566-D568 PolarHBondContact O-N 3.18Å; D568-A570 PolarHBondContact O-N 3.34Å
569	G	48.4	Very low	49.3	Very low	61 Å²	61	109.4 Å²	109.4	63%	0.629	62%	0.618	S	S	*	*	S	Bend	trans	80.1	4.7	172.3	0	0	0	0	0	116.2	A566	A566-G569 PolarHBondContact O-N 3.05Å
570	A	38	Very low	47.2	Very low	59 Å²	59	110.6 Å²	110.6	49%	0.488	62%	0.62	S	S	.	*			trans	-79.7	130.2	172.1	0	0	0	0	0	111.3	A566 D568 V572	A566-A570 VanDerWaalsContact CB-O 3.24Å; A566-A570 WeakPolarHBondContact CB-O 3.4Å; A566-A570 PolarHBondContact N-O 3.08Å; D568-A570 PolarHBondContact O-N 3.34Å; A570-V572 PolarHBondContact O-N 3.34Å
571	V	36.8	Very low	45.7	Very low	88 Å²	88	113.6 Å²	113.6	53%	0.533	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.5	115.5	175.3	179.5	0	0	0	0	108.8	M563	M563-V571 HydrophobicContact CE-CG1 3.63Å; M563-V571 HydrophobicContact SD-CG1 3.94Å
572	V	34.8	Very low	44.4	Very low	82 Å²	82	118.2 Å²	118.2	50%	0.497	65%	0.647	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	116.7	169	-176.8	0	0	0	0	107.3	A570	A570-V572 PolarHBondContact O-N 3.34Å
573	Q	33	Very low	43.7	Very low	151 Å²	151	114.2 Å²	114.2	71%	0.706	64%	0.635	S	S	*	*			trans	-85	114.6	171.3	-75.6	179.3	-23.3	0	0	108.3
574	D	34.6	Very low	42.9	Very low	197 Å²	197	118.5 Å²	118.5	100%	1.053	66%	0.663	S	S	*	*			trans	-103.4	0	161.6	-87.1	-19.4	0	0	0	109.9

Retrieved 574 of 574 residues in 277 ms (Link to these results)

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